smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN1c2ccccc2C(c2ccccc2)=NC[C@@H]1CCNC(=O)c1cccs1 593691 PYCHFYLMMMZMSJ-SFHVURJKSA-N 389.524 4.224 0 1 GIAF CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@@H](O)CC)c1 773611 OSYRPLSXMARARW-KRWDZBQOSA-N 398.434 4.047 0 1 GIAF COc1cc(-c2cc(C(=O)O)cc3c2oc2cc(O)c(OC)cc23)ccc1O 13452399 DJFAUDCMYUMUNB-UHFFFAOYSA-N 380.352 4.380 0 1 GIAF biogenic O=S(=O)(c1ccc(Cl)cc1)C1CCN(CCc2ccc(F)cc2F)CC1 13472090 BXUOVUWILQWARZ-UHFFFAOYSA-N 399.890 4.099 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@@]4(C)[C@@H]3CC[C@]12C 26399208 ARCONGNMKCTCRP-DNMTXPOLSA-N 388.596 4.382 0 1 GIAF CC1(C)CC[C@@H]2N=C(CCCN3CC=C(c4ccccc4)CC3)NC(=O)[C@@H]2C1 28526543 IIAWNEDZKNPAQI-RTWAWAEBSA-N 379.548 4.279 0 1 GIAF C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cccc1Cl 28820576 HQGRCFOENHIIQG-LLVKDONJSA-N 383.300 4.384 0 1 GIAF Cc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(F)nc4)cn3)cn12 43068552 TYYOEFUWCQRJKI-UHFFFAOYSA-N 387.418 4.369 0 1 GIAF O=C(NCC1(O)CCCCCC1)c1cc(-c2ccc(F)cn2)ccc1Cl 49784038 NZAHMXCZCUYJQD-UHFFFAOYSA-N 376.859 4.356 0 1 GIAF Cc1cccc(O)c1[C@@H](CC(=O)N1C[C@@H](C)C[C@@H](C)C1)c1ccc2c(c1)OCO2 95598114 WICRMNZBKVGVSE-FCEWJHQRSA-N 395.499 4.456 0 1 GIAF C[C@@H](Nc1c(Nc2ccnc(-c3cccc(F)c3)c2)c(=O)c1=O)c1ccccc1 100081675 KFGIOHZBOIRNRH-CQSZACIVSA-N 387.414 4.400 0 1 GIAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-n4cccc4)cc1)CN2C3 100950900 JMLZRLQBGATUMI-ALJBZUCNSA-N 376.500 4.154 0 1 GIAF O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CN2CCOCC2)cc1 141481434 UTBZPJHUUZFCDY-UHFFFAOYSA-N 388.467 4.144 0 1 GIAF CCOC(=O)C1=C(c2cccc(Cl)c2)N=C(C)[C@@H](C(=O)OCC)[C@H]1CC 169721217 KYJJIPPMAHTIRG-HZPDHXFCSA-N 377.868 4.294 0 1 GIAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 255224556 KXGVEGMKQFWNSR-PIVFSOAHSA-N 392.580 4.478 0 1 GIAF COc1cc(Cl)ccc1-c1nc2c(C(=O)O)cc(Br)cc2[nH]1 319197559 PMPDBCOWHZSRNH-UHFFFAOYSA-N 381.613 4.353 0 1 GIAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)nc1OC 586988476 SHZYXMZJXBPKKP-UHFFFAOYSA-N 384.391 4.231 0 1 GIAF COC(=O)c1cc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2cn1 587022557 YYAQGDHGHBZLND-UHFFFAOYSA-N 396.497 4.469 0 1 GIAF FC(F)(F)Oc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587040314 GZPJMWMYIPXCGR-JKSUJKDBSA-N 379.407 4.408 0 1 GIAF COc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587183471 CPTNYKWLCDIMOZ-YVMONPNESA-N 376.197 4.347 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCC(=O)CC1 587233732 BNFVATYVHKHMSZ-UHFFFAOYSA-N 397.397 4.445 0 1 GIAF CCCn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587339009 DCBBMZDWNKXFDW-RBBKRZOGSA-N 380.419 4.412 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cc(Cl)cn1 587379916 NBYJHSJZTZWAND-FQEVSTJZSA-N 397.862 4.191 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCCc4nc(-c5cccnc5)sc41)[C@@H](C2)C3=O 587454089 UVLPNLLPLBHJFB-NYHFZMIOSA-N 390.464 4.193 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccccc3)c1N)CC2=O 587474713 HCIDWUAGMULEAC-LJQANCHMSA-N 377.444 4.128 0 1 GIAF O=C1C[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCO3)Oc2c1ccc1c2CCCC1 587524032 JKXWGPZWLLUEJA-FQEVSTJZSA-N 388.423 4.391 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c2c(c1)OCO2 587550429 AMSPWYGQVXTDPP-YLJYHZDGSA-N 396.782 4.477 0 1 GIAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587559588 XRAZZRQKNXRJIN-DENIHFKCSA-N 380.371 4.417 0 1 GIAF CCCCOC(=O)[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587595175 JMXDQPXZNDWYJA-NVVBAYIOSA-N 396.439 4.236 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)nn2C)N1 587762042 CQDNYZZMBXVOEL-QGHHPUGFSA-N 380.305 4.243 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H]1CC[C@@]2(C)C1(C)C 587828810 PYMZQHKMOZORJX-DDDFPZQPSA-N 380.301 4.343 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(O)nc2Cl)N1 587853123 PABGOBBWBQYZBX-FWOIEVBISA-N 377.666 4.027 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnc(Cl)cn1 587865391 XWUZDEZKPIVLMQ-UHFFFAOYSA-N 396.756 4.100 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccccc2)on1 587871981 RPFCLQMQISHRJH-UHFFFAOYSA-N 377.375 4.431 0 1 GIAF COc1ccccc1CC(=O)c1nc2c(Cl)cc(Br)cc2[nH]1 587929161 GKGKBUQVGHNHGD-UHFFFAOYSA-N 379.641 4.413 0 1 GIAF CCn1nc([C@@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)cc1C 961782305 XTPKVOAMZQZPQS-NRFANRHFSA-N 396.535 4.452 0 1 GIAF COc1ccc2c(c1)[C@](COC(C)=O)(c1ccc(Cl)cc1)N(C(C)C)CC2 962094803 XNIUYZHQZMOZIL-QFIPXVFZSA-N 387.907 4.422 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(SC(F)F)cc2)N1 963239092 ZTRMODRDFROHHD-MSOLQXFVSA-N 386.423 4.238 0 1 GIAF O=c1c2ccc(Cl)cc2nc(-c2ccccc2)n1-c1nnc(C2CC2)s1 1772580665 VPUZTPVLWZZOKN-UHFFFAOYSA-N 380.860 4.435 0 1 GIAF CC(C)Cc1ccc([C@@H](C)C(=O)NCCOc2ccc3oc(=O)ccc3c2)cc1 1772641753 STRMNDIHFLXQEH-QGZVFWFLSA-N 393.483 4.290 0 1 GIAF CCCCCN(C)C(=O)COc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2 1857611928 CIZCLRKDNWAISZ-UHFFFAOYSA-N 385.460 4.005 0 1 GIAF COc1ccc(CN2CCOC[C@@H]2c2ncc(-c3ccc(Cl)s3)[nH]2)cc1 2356368335 KCGLLPPVCNTDRH-MRXNPFEDSA-N 389.908 4.374 0 1 GIAF COc1c(O)c2c(c(CC=C(C)C)c1OC)O[C@@H](c1ccc(O)cc1)CC2=O 2356379045 GIKLYRWFOWMYQK-QGZVFWFLSA-N 384.428 4.330 0 1 GIAF CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356532641 RRIGGXWWSAHMHN-OLYVTEEGSA-N 376.537 4.281 0 1 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@H](OC(=O)C=C(C)C)CC[C@H](C)[C@]12C 2356673017 FKWPXFLCFKOLLW-JZEFGVQTSA-N 388.460 4.319 0 1 GIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@]3(C)C[C@H]4CC[C@@]3(CC[C@@]12C)C[C@@]4(O)CO 2356692511 YMOUBIDEGPSLHS-UOLHPZNYSA-N 378.553 4.076 0 1 GIAF C[C@H](O)[C@@H]1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)CC1CCCCC1 199737371 DEKUPHYPROLNSQ-OXMFBNLJSA-N 395.591 4.349 0 3 GIAF CC(=O)c1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CCN(C(C)=O)CC1 26017017 DZOUZDARLWQOBO-UHFFFAOYSA-N 394.902 4.480 0 1 GIAF CCOc1cc2c(cc1OC(C)=O)C(=O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 26494531 BQBOABNOMRVZDN-ZXQGCJFDSA-N 386.488 4.258 0 1 GIAF Brc1ccc([C@@]2(Cn3ccnc3)OC[C@@H](c3ccccc3)O2)cc1 28768273 ITAPOIQZNBPLNJ-OALUTQOASA-N 385.261 4.287 0 1 GIAF CC(=O)NC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1 28878402 IPQCNTXEUDGNJY-UHFFFAOYSA-N 381.907 4.449 0 1 GIAF CC(C)c1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 29242762 RKXXLDFJCSSUNZ-UHFFFAOYSA-N 381.379 4.379 0 1 GIAF Nc1nc(N)c2c(Cl)c(CN(N=O)c3ccc(Cl)c(Cl)c3)ccc2n1 29470408 QUMOZXUEUJOGPM-UHFFFAOYSA-N 397.653 4.442 0 1 GIAF CSc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCCC2)cc1 35686631 JFYHULNQNQPNJG-FQEVSTJZSA-N 397.544 4.154 0 1 GIAF COc1ccc([C@H]2CC(Nc3nc4ccc(C)cc4s3)=NN2C(C)=O)cc1 45261017 VDVRJTLBZQIKIK-QGZVFWFLSA-N 380.473 4.332 0 1 GIAF O=C(c1cccc(Cl)c1)N1CC[C@@H]2C[C@H]1c1cc(N3CCOCC3)ccc12 61942494 BDOJNIJMOPHDOE-VFNWGFHPSA-N 382.891 4.251 0 1 GIAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)/C=C/c1cncnc1 82158095 CQSPTBGPCKSUOS-UYSOAPIBSA-N 376.500 4.483 0 1 GIAF CCCc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2n1CCOC 82179014 FSYIARVJKFLATH-UHFFFAOYSA-N 393.413 4.056 0 1 GIAF COc1ccc2c(c1)Oc1ncn3nc(C)nc3c1[C@@H]2c1ccc(Cl)cc1 95597445 NNLWOSSMVWZWJB-QGZVFWFLSA-N 378.819 4.381 0 1 GIAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccc(F)c1 96929250 CFBQODKVKOEVIB-UWJYYQICSA-N 381.495 4.449 0 1 GIAF COc1ccc(-n2c(O)cc(SCCc3nc4ccccc4[nH]3)c2O)cc1 169693088 XRZDFOMZEURHKG-UHFFFAOYSA-N 381.457 4.108 0 1 GIAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@@H]3CC[C@]12C 169714075 DEAVUWHJOWDMKM-RNMMERDJSA-N 384.564 4.030 0 1 GIAF O=c1c2cn[nH]c2c2ccc(-c3ncccc3Cl)cc2n1CC(F)(F)F 205047296 KIJAUPGROTXDCS-UHFFFAOYSA-N 378.741 4.156 0 1 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H]4CCc5ccccc54)ncc23)ccn1 205428617 GIXCWVMTGCMIKA-SFHVURJKSA-N 384.443 4.137 0 1 GIAF CC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 299827478 FYHLDHDZFQKNFY-ZDUSSCGKSA-N 386.414 4.199 0 1 GIAF CCCCC[C@H](O)/C=C/[C@@H]1O[C@H]2O[C@@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F 328577289 GJCWJHMKKPOZIY-WCTAKADSSA-N 388.451 4.060 0 1 GIAF in-vitro Cc1cccc(-c2ccccc2)c1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 586880001 WKRZLYIMIJWVOU-UHFFFAOYSA-N 391.496 4.456 0 1 GIAF N=c1[nH]c(-c2cccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)cs1 587021550 NOAQWMCEHMBEDE-UHFFFAOYSA-N 376.420 4.091 0 1 GIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(C(F)(F)F)ccc2[nH]1 587039879 WPWYNKAGRLXGOK-UHFFFAOYSA-N 385.371 4.447 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)cc1C(F)(F)F)[C@@H](C2)C3=O 587418782 CNHJAQMYVQTUHX-KXBFYZLASA-N 378.346 4.385 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)(F)C(=O)O)cc1)CC2=O 587464585 UBIMLHOVJYFMMC-QGZVFWFLSA-N 392.354 4.107 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCN(c3ccc(N(C)C)cc3)CC1)CC2=O 587476517 VDMFFIJTGIPVHY-UHFFFAOYSA-N 394.515 4.415 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1C)CC2=O 587478829 TYTKVOFMYNFGFQ-PEBXRYMYSA-N 389.492 4.326 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)c(OC)cc1OC)CC2=O 587478929 LAPXGBCGZIFHNH-QFIPXVFZSA-N 386.444 4.251 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCN(c1ccc(F)cc1)C2 587567417 AHQWJBIUQPDPMZ-OFNKIYASSA-N 391.398 4.142 0 1 GIAF CCN1CCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587591991 GXDKYZOYTZRAPA-ZJSXRUAMSA-N 387.435 4.478 0 1 GIAF CC(=O)COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587597083 RXRIFICUFJLKAQ-REWPJTCUSA-N 390.391 4.063 0 1 GIAF O=c1c2cc(Cl)ccc2cnn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1 587652121 WSCLNCHNTWMXAH-UHFFFAOYSA-N 392.724 4.108 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3ccc(F)cc32)N1 587727782 DJGGFKIHBQOZAK-MLCYQJTMSA-N 380.232 4.288 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(NC(=O)OC(C)(C)C)CC2)N1 587741674 HYSMDHXBIPSMOR-BMIGLBTASA-N 399.304 4.221 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C[C@@H]2N=O 587744017 YOBUKTYXOJLIOH-XODWSEBVSA-N 375.241 4.057 0 1 GIAF COc1ccc2c(c1)C[C@]1(C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805806 GBXOIJBDFICSSW-WLRWDXFRSA-N 376.269 4.125 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1ccc(O)cc1 587862856 ZDYMQRUOMSUZKH-UHFFFAOYSA-N 376.334 4.166 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1ccnc(-c3ccncc3)c1)N(C)[C@@H](C)C2 962560637 CZDPMNFWEVGHNT-NPMXOYFQSA-N 375.472 4.127 0 1 GIAF CCCC[C@]1(CCC(=O)OCC)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962566934 JMAFCZWIGMWFBF-AOMKIAJQSA-N 377.525 4.309 0 1 GIAF Cc1nc(-c2ccccc2)sc1[C@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962891285 DFGHQMVMSMAWFO-HRAATJIYSA-N 382.460 4.120 0 1 GIAF Cc1ccc(C)c([C@@]2(CC3OCCO3)c3ccc(F)cc3C[C@H]3CCCN32)c1 963113624 VDJPMVHAPFFNOU-HYBUGGRVSA-N 381.491 4.470 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1c[nH]nc1-c1cc2ccccc2o1 963637591 SWMBKLXKEVEQOJ-JCQPUDPBSA-N 389.455 4.464 0 1 GIAF COc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3c(cnn3C)CCN2C)cc1C 963953551 AZKNENINNUMOOF-DEOSSOPVSA-N 386.499 4.463 0 1 GIAF C[C@H](C(=O)Nc1ccc(-n2c3c(c4nc[nH]c(=N)c42)CCC3)cc1)c1ccccc1 1857551652 LRJZQARIEAUSMB-HNNXBMFYSA-N 397.482 4.064 0 1 GIAF Cc1cc2c(cc3c(SCC(=O)N(C)c4ccccc4)nnc(C)n32)s1 1857635820 DSLDJYTWYQGENS-UHFFFAOYSA-N 382.514 4.316 0 1 GIAF Fc1ccc2nc(CO[C@H]3CN(Cc4ccc(Cl)cc4)C[C@@H]3F)[nH]c2c1 2356357955 VZOZVIWYCCKCMF-YJBOKZPZSA-N 377.822 4.095 0 1 GIAF COC(=O)C1=C(C)N(Cc2ccco2)C(=O)N[C@H]1c1cccc(C(F)(F)F)c1 8682072 QUWSLLRXTVEPAC-INIZCTEOSA-N 394.349 4.012 0 3 GIAF O=C(Nc1ccc2c(c1)OCO2)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61895946 ZENAFOZLMRWQKV-IBGZPJMESA-N 394.814 4.073 0 3 GIAF COCCCNc1ccn2nc(-c3ccc(OCc4ccccc4)cc3)cc2n1 61903649 NEOLJEARWODRPP-UHFFFAOYSA-N 388.471 4.424 0 3 GIAF COc1cccc(CNC(=O)c2c(C(C)(C)C)noc2-c2ccoc2)c1OC 775770 JZXXPKKSIIQARM-UHFFFAOYSA-N 384.432 4.179 0 1 GIAF COc1ccc([C@H]2NC(S)=NC(c3ccc(Cl)cc3)=C2CC(=O)O)cc1 29409307 ZTWQYPFGIUCXRJ-GOSISDBHSA-N 388.876 4.165 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 33820735 XKHVNTXVBMJZFA-HATFSDQTSA-N 392.580 4.478 0 1 GIAF CCN(CC)CC(=O)N[C@H]1C[C@H](c2ccccc2)Oc2c(C)c(C)c(O)c(C)c21 40407393 VKPOHYWNQXRRHX-VQTJNVASSA-N 396.531 4.340 0 1 GIAF Nc1ncnc2c1N=C(c1ccc(Cl)cc1)C[C@@H](c1ccc3c(c1)OCO3)N2 40423790 QGOFMEKSCMNUKI-HNNXBMFYSA-N 393.834 4.119 0 1 GIAF Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccnc4)c(Cl)c3)c21 64446709 SJMSBWUNRHAZIS-UHFFFAOYSA-N 394.822 4.453 0 1 GIAF CNC(=O)[C@H]1C[C@@H]1c1ccc(-c2ncn(C)c2Sc2ccc(Cl)cn2)cc1 68247241 HFGOIDRTZLGILV-CVEARBPZSA-N 398.919 4.136 0 1 GIAF CSCC[C@H](Nc1nc(-c2ccc(F)cc2)cs1)C(=O)NCC(C)C 82222817 GYADWPMVPOJVHX-HNNXBMFYSA-N 381.542 4.255 0 1 GIAF O=C(CCCCN1CCN(c2ccccc2)CC1)c1nc2ccccc2s1 84706553 LDOWCUPEXDHKEP-UHFFFAOYSA-N 379.529 4.472 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(C2CN(c3nnc(-c4ccccc4)s3)C2)cc1 149951024 OEYKWHRVFNLAOG-AWEZNQCLSA-N 378.501 4.006 0 1 GIAF CC[C@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccccc2)c1F 218391509 JZQJCFPNAGFNDZ-LRDDRELGSA-N 376.859 4.015 0 1 GIAF CS(=O)(=O)c1cccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 385708128 IFSXZBPGZZXURA-UHFFFAOYSA-N 385.670 4.049 0 1 GIAF CC(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587004558 WVWUHYKDTXRLNU-GFCCVEGCSA-N 399.244 4.163 0 1 GIAF Clc1ccnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc12 587018421 ZYOQINGXIFKDJK-UHFFFAOYSA-N 378.848 4.449 0 1 GIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 587041570 YJXBVYRNEZUPHN-VIFPVBQESA-N 375.281 4.247 0 1 GIAF Cc1ccc(/C=C\c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1F 587146450 MLCWFDKZRAFYCM-DAXSKMNVSA-N 384.354 4.474 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3 587190850 PHRDDALNLAUINB-GOSISDBHSA-N 381.432 4.248 0 1 GIAF Cc1cnc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 587339946 REPJCDHYBGYOQF-UGKGYDQZSA-N 378.403 4.212 0 1 GIAF CCC[C@]1([C@@H](C)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355262 XBBQCAFASMXKGX-NCNFXNTHSA-N 386.419 4.238 0 1 GIAF CCN1CCC[C@H]1Cn1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587388645 FBQPGUKVODGYEG-HTAPYJJXSA-N 381.520 4.186 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccc(C(=O)O)o1)O2 587404176 OSMILBDBKVMMLX-HXUWFJFHSA-N 393.395 4.154 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC)(CC(=O)Oc1cccc(OC)c1)CC2=O 587475702 CCOBQZLETMBFRW-HSZRJFAPSA-N 398.455 4.463 0 1 GIAF CCCc1c(O)ccc2c1O[C@](Cc1cc3ccccc3o1)(C(=O)O)CC2=O 587476617 DAJAQRNGGIHSTC-QFIPXVFZSA-N 380.396 4.122 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(O)ccc3c(C)cc(=O)oc13)CC2=O 587482210 CQMLMNZVVQAPRE-SFHVURJKSA-N 380.396 4.172 0 1 GIAF CN1CCCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc(C=O)c21 587512865 GFJXFUSKRYYZKK-JOCHJYFZSA-N 375.468 4.467 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518838 QWSHWPBLHCYNSX-BIFSNJIPSA-N 383.488 4.299 0 1 GIAF Cn1ncc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c21 587578491 AHNXUOJLOOUYBH-CVDCTZTESA-N 386.407 4.156 0 1 GIAF Cc1nc2ccccn2c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588781 SGYXHWLNHZJYSB-WMZHIEFXSA-N 386.407 4.225 0 1 GIAF Cc1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587597928 WTWJODCZEPPUNG-GCJKJVERSA-N 388.379 4.387 0 1 GIAF COc1ccc2c(c1)CC[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601329 RZOLGVISOUEWLL-URXFXBBRSA-N 388.419 4.290 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)o2)N1 587766623 ONRLNZCTUQKVTD-ZMZPIMSZSA-N 379.273 4.405 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ncccn2)N1 587775518 RJIPNEHTGOLOBD-XCLFUZPHSA-N 398.279 4.204 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1sccc1Cl 587870108 ZIBRTNPLHRXXMM-UHFFFAOYSA-N 387.770 4.376 0 1 GIAF C[C@H](CCc1nc2c(Br)ccc(Br)c2[nH]1)CC(=O)O 587960090 FJGAJAMINSVDBU-SSDOTTSWSA-N 390.075 4.131 0 1 GIAF C[C@H](CCC(=O)O)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587963470 XMQOOHGUYMRUOK-SSDOTTSWSA-N 379.176 4.388 0 1 GIAF Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CCO)c1nnc(C)n1-2 653700474 DYZVPRKVLICCPN-HNNXBMFYSA-N 386.908 4.182 0 1 GIAF Cc1cccc([C@@]2(Cc3ccccc3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963530114 ZZNIZPBEIZSLBH-WIOPSUGQSA-N 387.479 4.094 0 1 GIAF CC1=C(C(=O)O[C@@H](C)C(F)(F)F)[C@H](c2ccoc2)N2C(=N1)Nc1ccccc12 1857607481 USGGIXUYELPVSJ-ZBEGNZNMSA-N 391.349 4.390 0 1 GIAF CC[C@@H](CN)OC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1 1857646775 RZISDSIJYSAGER-IBGZPJMESA-N 399.531 4.383 0 1 GIAF Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)Cc1ccc(F)cc1)CC(=O)N2 2723617 OTKZXAMSKKMBJT-XMMPIXPASA-N 388.442 4.247 0 1 GIAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NCCCOC 4213995 MZOXLOXVPBESLM-NHCUHLMSSA-N 390.524 4.252 0 1 GIAF CCCCNC(=O)Nc1cccc2c1C(=O)c1c(-c3ccc(OC)cc3)n[nH]c1-2 13492144 JDTZDVYNBUXATI-UHFFFAOYSA-N 390.443 4.218 0 1 GIAF CC(=O)Oc1ccc2c(c1)C[C@@H](C)n1c-2c(C=O)c2ccc(OC(C)=O)cc21 13650945 IRCBDBHYANNXON-GFCCVEGCSA-N 377.396 4.089 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)c4ccc[nH]4)[C@@H]3CC[C@@H]12 26390277 ADCZPIWAYHWQLK-RWGCZEEPSA-N 380.532 4.453 0 1 GIAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1N(C)CCN(C)C 28243563 GQMCGDJMEUHAGU-QZTJIDSGSA-N 386.367 4.151 0 1 GIAF Cc1ccc(S(=O)(=O)N2CCC(Br)=C[C@@H]2c2ccccc2)cc1 28704339 JUNBABMVJJRGST-GOSISDBHSA-N 392.318 4.410 0 1 GIAF COc1ccc(COC[C@@H](Cn2ccnc2)OCc2ccc(SC)cc2)cc1 29337104 FXCUBDAKSAHTID-OAQYLSRUSA-N 398.528 4.416 0 1 GIAF CC1CCC(Nc2ccc3c(=O)n(-c4cccc(Cl)c4)c(=O)n(C)c3c2)CC1 34950286 HQQDIDPWJVBPCR-UHFFFAOYSA-N 397.906 4.333 0 1 GIAF COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCN1 36126646 UPKKORHDOYVZHW-UHFFFAOYSA-N 393.712 4.246 0 1 GIAF O=C1CCCN1CCc1ccc(C2=CC[C@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 36289111 ZBSRSMRKEMXADB-UKILVPOCSA-N 386.539 4.387 0 1 GIAF COc1ccc([C@@H](O)CN[C@H](C)CCc2ccc(F)cc2)cc1C(F)(F)F 45167406 WIEWTSINKQLIIM-ACJLOTCBSA-N 385.401 4.497 0 1 GIAF NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1c[nH]c2ccccc12 49808167 RZWDIJSUPRNDRE-JOCHJYFZSA-N 392.890 4.126 0 1 GIAF CC[C@@H](C)NC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc(F)cc1 82140591 ZFAUSZBAXZNPEB-CYBMUJFWSA-N 382.439 4.325 0 1 GIAF COc1cc(CNc2cc(-c3cc(F)cc(F)c3)ncn2)cc(OC)c1OC 82168158 XJJJOLMQPKATKK-UHFFFAOYSA-N 387.386 4.060 0 1 GIAF Cc1ccc(CNc2ncnc3c2nc(C2CC2)n3CCc2ccccn2)cc1 82179394 FLJCZRCTMJAAEO-UHFFFAOYSA-N 384.487 4.262 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@@H]2CC[C@@H]1N2C/C=C/C[18F] 102058045 FXIKVFNIIRHKBX-SLUNENJFSA-N 395.303 4.084 0 1 GIAF COC(=O)C1=C[C@@H]2C(=O)c3ccccc3[C@]1(c1ccccc1)N2C1CCCCC1 102979343 ZKADLOXAHFISDD-RDGATRHJSA-N 387.479 4.243 0 1 GIAF CC(C)CCN(C(=O)Nc1nccs1)c1ccc(OC(C)(C)C(=O)O)cc1 103243920 GURVISDDKMWGJX-UHFFFAOYSA-N 391.493 4.470 0 1 GIAF Brc1c[nH]c2nc(-c3c(-n4cccc4)sc4c3CCC4)nc-2n1 587033680 ZFPZQWBDCHMZKA-UHFFFAOYSA-N 386.278 4.075 0 1 GIAF CN1CCN(c2ccc3nc(C4(Cc5ccc(Cl)cc5)CC4)[nH]c3c2)CC1 587073725 LVLHUHUKWHURJF-UHFFFAOYSA-N 380.923 4.242 0 1 GIAF FC(F)c1c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)cnc2ncnn12 587128137 HCGGONKOBLQZCZ-UHFFFAOYSA-N 392.369 4.184 0 1 GIAF COC(=O)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1OC 587136648 UMQAHKGMNIDAKF-UHFFFAOYSA-N 397.175 4.066 0 1 GIAF CC[C@H](C)n1ncc(I)c1-c1nc2c(C)c(F)ccc2[nH]1 587181507 SQBILMFIVUPHQD-QMMMGPOBSA-N 398.223 4.450 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(Cl)cc1C)[C@@H](C2)C3=O 587419093 JKHAJIANAMBNJB-YCRPNKLZSA-N 385.847 4.192 0 1 GIAF COc1cc2c3c(c1)O[C@H](CCc1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O 587424059 WUULIHMWSIVIQT-HZPDHXFCSA-N 378.346 4.343 0 1 GIAF COc1ccc2occ([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)c2c1 587534369 ZRCXYRNXJNMLQS-OAQYLSRUSA-N 376.408 4.387 0 1 GIAF CC(=O)c1[nH]c(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587586134 BNRBFWWRSLNLJF-AUSIDOKSSA-N 391.423 4.417 0 1 GIAF C[C@H](O)Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587606325 DMSMOQYTGJBFPR-MHALITNNSA-N 376.408 4.018 0 1 GIAF C[C@]1(c2ccsc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614819 UYSFWIWRGCEQJE-MGPUTAFESA-N 382.393 4.029 0 1 GIAF CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(N)cc2O1 587746320 MKJPCZILHNCQLG-OVWNDWIMSA-N 389.268 4.244 0 1 GIAF CCOC(=O)C[C@@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587797110 LRCGDIRUYOTWRX-ZMZPIMSZSA-N 384.289 4.071 0 1 GIAF COCc1ccc(OC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587803568 XIEHBTBSSWZYFH-NSPYISDASA-N 394.284 4.367 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2nccs2)N1 587852926 JIQKSEIIKQWXMW-JDNHERCYSA-N 383.286 4.067 0 1 GIAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(Br)c(F)c3[nH]2)cc1 587934766 GADVIQOLFSEWFJ-FVMDXXJSSA-N 379.229 4.310 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2cc(F)cc(Cl)c2)(C2CC2)N1 963219183 CYMJSILFJQRXCG-UNMCSNQZSA-N 396.849 4.280 0 1 GIAF COc1ccc2c(c1)[C@](C)(c1c(C)n[nH]c1C)N(Cc1ccc(F)cc1)CC2 963305526 YLGFJCPHJUZCNV-HSZRJFAPSA-N 379.479 4.496 0 1 GIAF Cn1ncc2c(N3CCC[C@H]3c3ccc(C(F)(F)F)cc3)nc(Cl)nc21 1857644926 RZPRIARPGSKPQC-ZDUSSCGKSA-N 381.789 4.377 0 1 GIAF Cc1cccc(-n2ncc3c2CCC[C@H]3NC(=O)c2noc3c2CCCC3)c1C 1911573778 KWESJWBFVAWPJT-GOSISDBHSA-N 390.487 4.163 0 1 GIAF N[C@H](COCc1ccccc1)c1csc(Nc2nncc3ccccc23)n1 61895768 BJVQCLBGEGSIJZ-QGZVFWFLSA-N 377.473 4.047 0 3 GIAF CCc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)C(C)C 61907261 OBTQTAKKRCURDG-UHFFFAOYSA-N 387.430 4.373 0 3 GIAF CC=C(C)C(=O)OC=CCc1cc(OC)c(OC(=O)CC(C)C)c(OC)c1 2356411756 YCPTXRGSPTXLBF-UHFFFAOYSA-N 376.449 4.221 0 1 GIAF Cc1cc2c(cc1Cl)SC(C(=O)c1ccc(Cl)cc1)=NS2(=O)=O 1663291 KISWKCXTNCXILQ-UHFFFAOYSA-N 386.281 4.378 0 1 GIAF CC(C)C1=CC[C@]2(C)[C@H](O)[C@H](O)C[C@@](C)(OC(=O)C=Cc3ccccc3)[C@H]2C1 2356470582 GIVYBSDWYHUABS-MRQKEVAZSA-N 384.516 4.126 0 1 GIAF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]3C=C4C(=O)OC(=CCCCO)[C@@]4(CC3)[C@H]21 2356364320 VOCQKLXHYNXMPD-MIIAASOXSA-N 396.483 4.100 0 1 GIAF COc1ccc(Cn2cnc3sc(-c4ccnc5[nH]ccc45)cc3c2=O)cc1 1911574619 JQEVJBGJLODSRH-UHFFFAOYSA-N 388.452 4.058 0 1 GIAF CN1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@H]1c1ccc(F)cc1 58506584 UHPCLHOBLVYPFH-LJQANCHMSA-N 389.421 4.405 0 1 GIAF CC(C)n1cc2ccc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc2n1 114750146 BZDRSCMADJQMDY-UHFFFAOYSA-N 377.448 4.113 0 1 GIAF CCCCCCN1C[C@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(OC)cc1 61923827 ZAUXEZACOUTYCB-VJBWXMMDSA-N 398.551 4.093 0 3 GIAF CC(C)(C)OC(=O)CN1CCN(Cc2cccc(Oc3ccccc3)c2)C1=O 72116728 DTDNGCMMAILBKZ-UHFFFAOYSA-N 382.460 4.058 0 1 GIAF CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c2c([C@@H](O)CC)cc(=O)oc12 14586065 LVYGPLHUPURZDF-WFASDCNBSA-N 388.460 4.385 0 1 GIAF biogenic CC(C)CNc1ncnc2c1nc(-c1ccccc1)n2CCN1CCCCC1 82177767 JQSLHBADHZICMV-UHFFFAOYSA-N 378.524 4.047 0 1 GIAF COc1cc(-c2n[nH]c3ccnc(-c4cccc(F)c4)c23)cc(OC)c1OC 82078863 HVOIEANRMJYJNQ-UHFFFAOYSA-N 379.391 4.457 0 1 GIAF CCOC(=O)c1c(C(F)(F)F)c2cccnn2c1C(=O)c1ccc(C)cc1 96914606 YVHMAHUEMHBROC-UHFFFAOYSA-N 376.334 4.069 0 1 GIAF CCC[C@@]1(C2CCNCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346986 KGXXZCATJXPZDP-GGAORHGYSA-N 383.463 4.429 0 1 GIAF CN(c1ccc(-c2csc(-c3cccc4cccnc34)n2)cc1)S(C)(=O)=O 587923770 NDKNVDZXITVTOE-UHFFFAOYSA-N 395.509 4.421 0 1 GIAF COc1nc(N2CCCC2)ccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587515175 QSIHNDGOETXGIW-XMMPIXPASA-N 392.499 4.450 0 1 GIAF COc1cccc2c1[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808679 OGKQNDDZJOIGMD-JEOXALJRSA-N 376.269 4.321 0 1 GIAF COC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348934 ONQHVSIWEKGLTB-GMAHTHKFSA-N 378.399 4.432 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Cl)c1)(c1cc(C=O)n(C)c1)O2 587378676 OVKWBLSXGGSPDN-QFIPXVFZSA-N 394.858 4.291 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)c3ccccc3)cc1)O2 587408741 IJIJBRWZJJGZNQ-OAQYLSRUSA-N 393.464 4.117 0 1 GIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)c(F)c(F)c4[nH]3)cc2N1 587126712 MKJDGPCXZLBQEL-ANLVUFKYSA-N 375.276 4.151 0 1 GIAF CC(C)NC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756944 SMSQLEOUJJRITC-XOBRGWDASA-N 391.328 4.364 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccccc2)N1 587742655 LLHYNBPOTWLMBD-HXPMCKFVSA-N 391.284 4.366 0 1 GIAF CC(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587746452 ZQQRQVMFGOZOOT-NSPYISDASA-N 391.284 4.344 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)N(C)C(=O)OC(C)(C)C)CC2=O 587468833 KHVASABNTYUMPL-QGZVFWFLSA-N 377.481 4.324 0 1 GIAF COc1cc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587719329 PQSQOMRKRKKTML-NIVTXAMTSA-N 398.247 4.368 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3ccc([C@H](N)N=O)cc3[nH]2)[C@@H]1c1ccccc1Cl 587062119 TVRCHMWMIPHXTN-ZNZDAUKMSA-N 397.866 4.017 0 1 GIAF COc1ccc2c(c1)OCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587833164 FSAFTVYGTLILMW-NSPYISDASA-N 392.268 4.157 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)O)c(F)c2)N1 587726723 ZGGHSOHWBHEDLJ-LZVRBXCZSA-N 396.231 4.223 0 1 GIAF CCOC(=O)c1[nH]c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587789760 FYFHHDHORVVCLR-QGHHPUGFSA-N 395.272 4.025 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(=O)OC)c3ccccc31)CC2=O 587476395 CFILAZJLTRHURI-IQMFZBJNSA-N 380.440 4.256 0 1 GIAF Cc1c(C(=O)O)[nH]c2c1[C@@]1(CC(C)(C)C2)c2ccc(F)cc2C[C@H]2CCCN21 963115308 VOKYNYXFFGESIN-WAIKUNEKSA-N 382.479 4.397 0 1 GIAF COc1ccc(F)c(F)c1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772653352 WJABBERYRCTDMU-ZDUSSCGKSA-N 377.318 4.374 0 1 GIAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@@]341 13555466 IYMLCJZYVKMKSH-LZQWRSJTSA-N 398.506 4.458 0 1 GIAF Cc1cc(C)n(-c2cccc(CN3CCC(CO)(Cc4ccccc4)CC3)c2)n1 13593824 RIGVEZUIPUYJNB-UHFFFAOYSA-N 389.543 4.306 0 3 GIAF CCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccc(OC)cc1)C2=O 13779819 VWYGUXJEUBOAHI-UHFFFAOYSA-N 379.435 4.175 0 1 GIAF O=C(OC/C=C/c1ccccc1)C1=CN=C[C@H](C(=O)O)[C@H]1c1cccc(Cl)c1 169727729 AETTUACTWPQAGI-WQHZJRCTSA-N 395.842 4.349 0 1 GIAF O=C(O)C[C@H](NC(=O)c1cccc(Cl)n1)c1ccc(-c2ccccc2)cc1 203334978 MBLOXSIAJATUNY-SFHVURJKSA-N 380.831 4.348 0 1 GIAF CC(=O)O[C@@H]1CC(C)=CCC[C@@H](C)CC(=O)CC2=C[C@@H](OC2=O)[C@@H]1C(C)C 1857742379 QWGSYRKRZRCPAG-AVQSHMDHSA-N 376.493 4.158 0 1 GIAF COc1ccccc1[C@@H]1Nn2c(nc3ccccc3c2=O)N1c1ccc(C)cc1 1660472 GOKBWHWDCUHAMG-OAQYLSRUSA-N 384.439 4.108 0 1 GIAF CN1C(=O)c2ccccc2[C@H](C(=O)N2CCCCC2)[C@H]1c1c[nH]c2ccccc12 2469353 RFPUZHSVGAYGJK-FCHUYYIVSA-N 387.483 4.091 0 1 GIAF O=C(NCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1 13492829 QVSKRNYPWMHGEV-UHFFFAOYSA-N 378.215 4.495 0 1 GIAF CO[C@H](CCc1ccccc1)c1ccccc1OC[C@@H](O)CN1CCCCC1 13529083 IBROBEZGYAHQTA-JTHBVZDNSA-N 383.532 4.233 0 1 GIAF COc1ccccc1-c1nc(N)c(CN)c(-c2ccc(Cl)cc2Cl)n1 14948347 BIYMREOFZJCVAE-UHFFFAOYSA-N 375.259 4.167 0 1 GIAF Cn1cc(C[C@H](N)COc2cncc(/C=C/c3ccncc3)c2)c2ccccc21 14957647 WSGRIPRDCJLYBR-BXKJMJEDSA-N 384.483 4.088 0 1 GIAF Nc1nc(N)c2nc(CSc3ccc(Sc4ccccc4)cc3)cnc2n1 26500722 LMHGBFYJFBCPAH-UHFFFAOYSA-N 392.513 4.028 0 1 GIAF CCCC(=O)O[C@H]1CCCC[C@H]1Cc1ccc(OCCNC(=O)OCC)cc1 28959454 PHHYXISIQPVOBX-ICSRJNTNSA-N 391.508 4.256 0 1 GIAF COc1cc(C2=C(c3ccc(SC)cc3)C[C@@H]3CCCN3C2=O)ccc1O 29399106 JRKHNGFYDPJDMO-INIZCTEOSA-N 381.497 4.428 0 1 GIAF CNC(=O)CC[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 49020522 ANRFQNJNXPRQGM-QFIPXVFZSA-N 399.922 4.432 0 1 GIAF NC(=O)c1c(F)ccc(OCc2nc3cc(Br)ccc3s2)c1F 49784442 BYLRFGMBCFIJID-UHFFFAOYSA-N 399.216 4.015 0 1 GIAF COc1cc(-c2ncnn2-c2ccc(Cl)cc2Cl)cc(OC)c1OC 49784887 YINSSOPHJIXMHM-UHFFFAOYSA-N 380.231 4.267 0 1 GIAF O=C(O)c1cc(CN2CCC(c3cccc(Cl)c3)CC2)c2ccccn2c1=O 66078990 PTDROYCFCCJYPH-UHFFFAOYSA-N 396.874 4.031 0 1 GIAF C[C@@H]1CCCCCCCCC[C@H](O)C(=O)C[C@@H](SCC(F)(F)F)C(=O)O1 72177836 KWOCEXGEXNPJHY-IJEWVQPXSA-N 398.487 4.427 0 1 GIAF COc1ccc(Br)c(-c2nnc3sc(-c4ccccc4)nn23)c1 73315504 AMAUOYAXZBGZPU-UHFFFAOYSA-N 387.262 4.291 0 1 GIAF Cc1ccnc(NC(=S)N2CC[C@@H](Nc3cccc(C(F)(F)F)c3)C2)c1 95570127 SNVGXSBFCQAVMI-OAHLLOKOSA-N 380.439 4.292 0 1 GIAF O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccnc1 102130812 BIHLYZJZNSJIGJ-ODAXIHTASA-N 380.447 4.325 0 1 GIAF O[C@H](CCCN1CCN2CCc3[nH]c4ccccc4c3[C@H]2C1)c1ccc(F)cc1 105408300 GGLXFWQANMJCNR-DHIUTWEWSA-N 393.506 4.036 0 1 GIAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCCC3)[C@@H]2C)OCO4)c1O 105520992 NTGCRYUQXNVBHI-LMIFWLCCSA-N 397.471 4.102 0 1 GIAF CCOC(=O)c1cc(-c2ccccc2)sc1NS(=O)(=O)c1ccccc1 145754669 OSQCEKCMLJWVLL-UHFFFAOYSA-N 387.482 4.393 0 1 GIAF Cc1cc(F)cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)c1 221064537 YJVGAKOUHBTUIV-VIZZQPHQSA-N 392.446 4.447 0 1 GIAF C/C=C(/C)C(=O)O/C=C/Cc1cc(OC)c(OC(=O)CC(C)C)c(OC)c1 238739338 YCPTXRGSPTXLBF-OSDQMXDVSA-N 376.449 4.221 0 1 GIAF Cc1c(O)ccc2c1CC[C@]1(C)[C@@H]3CC[C@]21O[C@@]1(OC(C)(C)[C@@H](C)[C@H]1O)[C@H]3C 238766117 BDAPRCLUBGTBFD-PBRODLAQSA-N 386.532 4.427 0 1 GIAF CC(C)c1ccc(OC[C@@H]2[C@H]3CN(Cc4nc5ccccc5n4C)C[C@H]32)cc1 253666705 NLLIYFVKRLKJBW-AERCQKQUSA-N 375.516 4.454 0 1 GIAF Cc1ccc(CCCC(=O)c2cc(C)c(COC[C@@](C)(N)CO)cc2C)cc1 299840726 ZDUBHIOEPNNNDM-DEOSSOPVSA-N 383.532 4.044 0 1 GIAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(N)c1OC 586986326 AJFBMEMDKZXETG-UHFFFAOYSA-N 398.418 4.418 0 1 GIAF Ic1cnc2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587036540 FKOWRSIXWIJWCP-LLVKDONJSA-N 399.282 4.003 0 1 GIAF COc1ccc(-c2nc3c(C)ccc(C)c3[nH]2)c(I)c1 587179535 BETBFAZXMVHMLF-UHFFFAOYSA-N 378.213 4.460 0 1 GIAF O=C1C2CC3CC1CC(C2)C31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354308 QHVBYQFFXLRICX-JOLHFYRYSA-N 392.426 4.264 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Sc3ccccc32)[C@H]1c1ccc(F)cc1 587371911 GWYKYEQDHVPJRB-SIKLNZKXSA-N 392.407 4.418 0 1 GIAF C[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517411 MTAIBCVIFRWTNW-QKFKETGDSA-N 399.487 4.073 0 1 GIAF O=C1C[C@@](Cc2c[nH]c3ccccc23)(C(=O)O)Oc2c1ccc1c2CCCC1 587522196 DSVFOKQFYYGYLO-QHCPKHFHSA-N 375.424 4.078 0 1 GIAF COc1ccc2[nH]c(C(=O)O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587526247 QKRJWLGZKNQZRL-IBGZPJMESA-N 391.423 4.460 0 1 GIAF C[C@H](Oc1ccc2c(c1)OCO2)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587534729 FTXAMIIASDGWDG-LFVRLGFBSA-N 380.440 4.486 0 1 GIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1F 587558490 SPFVQBFGSOOTKX-IIBYNOLFSA-N 384.334 4.382 0 1 GIAF COc1cc(F)c(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559851 ZSFXGPOCSXLDMI-WIYYLYMNSA-N 384.334 4.382 0 1 GIAF Cn1cc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2n1 587583190 UNUWHKQRPHEJJZ-OFNKIYASSA-N 386.407 4.156 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12Cc1[nH]c3ccccc3c1C2 587591875 XFQKSLQZSBCSGO-XUZZJYLKSA-N 383.403 4.373 0 1 GIAF COc1ccc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587713419 CGBMOPRRAZYJPN-CQLKUDPESA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)o2)N1 587766619 ONRLNZCTUQKVTD-BBATYDOGSA-N 379.273 4.405 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(O)ccc3C2)N1 587834312 RLKIADMSQJKDFJ-WYRIXSBYSA-N 376.269 4.212 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CN(C)C)cs2)N1 587844925 CPJLNYTVQLZDRI-BMLIUANNSA-N 383.330 4.335 0 1 GIAF Cc1ccnc2c1CCN[C@@]2(C)CC[C@@](F)(Cl)C(F)(F)Br 963077131 VIAZSHHXLNUIMZ-STQMWFEESA-N 385.655 4.423 0 1 GIAF CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccoc2)N2C(=N1)Nc1ccccc12 1857600642 ZFVMPFOCNYFJFP-OAHLLOKOSA-N 377.322 4.002 0 1 GIAF CC(C)[C@@H]1C[C@H](O)[C@]2(C)CCC[C@](C)(O)[C@H]2[C@@H]1OC(=O)C=Cc1ccccc1 2356485879 WIIMMGRJVZSVRB-XOAOUOCQSA-N 386.532 4.206 0 1 GIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@@H]2CC(=O)[C@H](C)[C@@H]2C[C@H]1C(C)(C)OC(C)=O 2356777437 VUGXECYJWAHENH-UTENSGDISA-N 378.509 4.094 0 1 GIAF CN(C)[C@H](CN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1 22039863 SYENVULNBJTJKD-DHIUTWEWSA-N 391.490 4.398 0 3 GIAF CN(CC1CC1)[C@H](c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1 1549676 TXHVBWLEQSUJHP-JOCHJYFZSA-N 380.532 4.160 0 1 GIAF C[C@@H](c1ccon1)N(C)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 12203741 QOPKBRGJGRNUHR-HNNXBMFYSA-N 375.428 4.434 0 1 GIAF CCCc1c(COc2ccc(C(=O)CCC(=O)O)cc2)ccc(C(C)=O)c1O 13824157 XLYPMOZWMVHCLW-UHFFFAOYSA-N 384.428 4.174 0 1 GIAF CCCCc1c(OCCCN(C)C)c2cccnc2n(-c2ccccc2)c1=O 26256095 PANZOZYHGYDNLO-UHFFFAOYSA-N 379.504 4.059 0 1 GIAF COc1cc(C[C@@H]2NCCc3cc(Cl)c(Cl)cc32)cc(OC)c1OC 26400289 QZBUIYILWKWSEV-INIZCTEOSA-N 382.287 4.449 0 1 GIAF COc1cc2nc(Nc3c(C)cccc3Cl)c3cnc(C=O)n3c2cc1OC 26571065 VNSREDASJQQMQB-UHFFFAOYSA-N 396.834 4.418 0 1 GIAF O=C(O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)nc1 28523473 WTQUFLCBZNLWEN-UHFFFAOYSA-N 382.803 4.265 0 1 GIAF Cc1noc(NC(=O)N2CCN(Cc3sc4ccccc4c3C)CC2)c1C 43122250 BBTJVSJIVGPBQA-UHFFFAOYSA-N 384.505 4.164 0 1 GIAF Cc1ccc2c(CC(=O)Nc3nc4ccc(F)cc4s3)cc(=O)oc2c1C 71332746 MTCHPRNCBVFMDS-UHFFFAOYSA-N 382.416 4.340 0 1 GIAF CCCCc1nc(Cl)c([C@H]2CC(c3ccc(OC)cc3)=NN2C(C)=O)n1C 72113669 UUTVVYJZNBHLRF-QGZVFWFLSA-N 388.899 4.122 0 1 GIAF CSCC[C@H](Nc1nc(-c2ccccc2F)cs1)C(=O)NCC(C)C 82192276 GZNMFUDTBZSPNC-HNNXBMFYSA-N 381.542 4.255 0 1 GIAF COc1ccc(COc2nc3c(Cl)ccc(Cl)c3n3cnnc23)cc1 84709825 DKUONJIZIFCYAZ-UHFFFAOYSA-N 375.215 4.172 0 1 GIAF CC[C@H](Sc1ccc(-c2ccccc2)nn1)C(=O)N(C)c1nc(C)cs1 84758920 PIRGLDZWHLDHMU-INIZCTEOSA-N 384.530 4.442 0 1 GIAF O=S(=O)(c1cc(Cl)cc(Cl)c1)c1ccc2oc3c(c2c1)CNCC3 143342553 PEGAZHBQCLPRSI-UHFFFAOYSA-N 382.268 4.218 0 1 GIAF CN1C(=O)CC[C@@]2(C)C1=CC[C@H]1[C@@H]3CC=C(n4cncc4C#N)[C@@]3(C)CC[C@@H]12 144180733 WEDYJJVYGUGRNJ-OYHXWRSMSA-N 376.504 4.194 0 1 GIAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 261152123 PCUQHNTZXLPGNX-YOWRRBNZSA-N 381.564 4.433 0 1 GIAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)c1 586936733 UOWKRLHKCKNVMX-UHFFFAOYSA-N 396.472 4.037 0 1 GIAF O=[S@](CCCc1nc2ccc(Cl)nc2[nH]1)c1ccc(Br)cc1 586959189 JJAVXUQHIWJLAN-JOCHJYFZSA-N 398.713 4.114 0 1 GIAF Cc1c(Br)cc2[nH]c(-c3cccnc3SCC(=O)O)nc2c1C 586966947 NCFKXKQTGMBVIY-UHFFFAOYSA-N 392.278 4.181 0 1 GIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 587040528 NLBDAUUENJOIKD-QMMMGPOBSA-N 375.281 4.247 0 1 GIAF CCOC(=O)[C@H](C(C)=O)c1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098072 UMJXRBAKSQIWHB-LJQANCHMSA-N 387.435 4.299 0 1 GIAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587170521 BWDCVAAIQYZFEQ-HNNXBMFYSA-N 384.524 4.350 0 1 GIAF CN1[C@H]2CCC[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332475 AKTCPWCQYHHEAG-FIKGOQFSSA-N 381.447 4.276 0 1 GIAF CCc1cccc2c([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cn(CC(=O)O)c12 587388794 AZDBRPAYGUUKLK-HSZRJFAPSA-N 392.455 4.060 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cc(C)ccc1C)CC2=O 587482294 NOPZBSGRRCDPPY-HSZRJFAPSA-N 382.456 4.385 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccccc1C)CC2=O 587484598 SOWAKUZVHGTPOL-QHCPKHFHSA-N 382.456 4.467 0 1 GIAF CCOC(=O)[C@H](c1cccnc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587516323 VZIBCEDRVFWTAW-NZQKXSOJSA-N 379.456 4.031 0 1 GIAF CC(C)n1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587582830 RHYZURXXGBZOKY-SIKLNZKXSA-N 378.428 4.133 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cncnc1 587586658 LBFFJRJBDHERJW-URXFXBBRSA-N 396.402 4.088 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1ccccn1 587586855 KKHIOAZQTGNROS-XUZZJYLKSA-N 396.402 4.088 0 1 GIAF CCO[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C12CCCC2 587601869 VDUDMZLWVYCPDP-PWHSHALESA-N 380.440 4.462 0 1 GIAF COc1nccc2[nH]cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 587808307 YFPKOZPKDXIQMB-XYZCENFISA-N 390.256 4.097 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@@]2(C(=O)O)C3(C)C)N1 587824948 DSNYMPOKHZHACI-ZUZKAXPWSA-N 396.300 4.229 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H]2CCOC2)N1 587836710 XLQJYABXIIHGMV-PSGMQZRDSA-N 390.296 4.403 0 1 GIAF CCOC(=O)Cc1ccc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2c1 587925699 GWTUPYFXPWCOHE-AWEZNQCLSA-N 382.460 4.032 0 1 GIAF Cc1ccc(-c2cc(O)n(-c3cnc(Cc4ccc(F)cc4)nc3)c2O)cc1 587947114 SWDRPNTWOKOESV-UHFFFAOYSA-N 375.403 4.384 0 1 GIAF COC[C@@H]1CC[C@H](c2ccc(F)cc2)N1S(=O)(=O)c1cc(C)c(F)c(C)c1 653775514 IMTJDDGNRNOFAJ-PKOBYXMFSA-N 395.471 4.122 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)N1 962940276 ADBQSHJNNNOPDM-DFPHKEDISA-N 378.520 4.313 0 1 GIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CNC(C)C)(c2cccc(OC)c2)N1 962963766 ZTWHJKBHCCGXPZ-MHECFPHRSA-N 377.532 4.342 0 1 GIAF Cc1ccc([C@]2(CC3C(=O)CC(C)(C)CC3=O)NCCc3c(C)ccnc32)cc1 963073577 VRODZWPYFKNWOI-VWLOTQADSA-N 390.527 4.052 0 1 GIAF CO[C@H]1C=C[C@H]2CC=CC[C@H](c3ccc(Br)cc3)OC(=O)C[C@@H]1O2 1857626489 UZBRBCKVYBARLH-BDXSIMOUSA-N 393.277 4.112 0 1 GIAF CCOC(=O)C1=C2CCCN2C(c2ccccn2)=N[C@@H]1c1ccc(F)cc1Cl 1857643553 JJNCGWZAVQKKKL-LJQANCHMSA-N 399.853 4.289 0 1 GIAF CCOc1cc2c(cc1O)CCN1Cc3c(ccc(OCC)c3OCC)C=C21 2356838125 LQMRTVRFZXAYOT-UHFFFAOYSA-N 381.472 4.458 0 1 GIAF O=c1c2c(nc(SCc3ccccc3F)n1-c1ccc(F)cc1)CCS2 2459508 GPGYWJYHCGEJBK-UHFFFAOYSA-N 388.464 4.451 0 1 GIAF CC(NC(=O)Nc1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F 3188953 WIOQSDYFZVVUCL-UHFFFAOYSA-N 379.098 4.454 0 1 GIAF biogenic CN(CCc1ccccc1)CCn1c(=N)sc2cc(OC(F)(F)F)ccc21 3805348 IOWJWUPZDJCJOV-UHFFFAOYSA-N 395.450 4.255 0 1 GIAF Cc1cc(NC(=O)N2CCN(Cc3sc4ccccc4c3Cl)CC2)no1 12767363 NCCYDCMCQZZXHW-UHFFFAOYSA-N 390.896 4.201 0 1 GIAF NC1=N[C@H](c2cccc(Oc3ccccc3)c2)N(c2cccc(Cl)c2)C(N)=N1 13559315 HEARZUMQNUJZRL-IBGZPJMESA-N 391.862 4.281 0 1 GIAF O[C@](Cn1ccnc1)(c1ccc(-c2ccncc2)cc1)c1ccc(F)cc1F 13892867 IAJFYMVLKYAWBA-JOCHJYFZSA-N 377.394 4.159 0 1 GIAF C[C@H](NC(=O)/C=C/c1ccccc1F)c1cccc(N2C[C@@H](C)O[C@H](C)C2)c1 26740365 MMTYMNYZNWKRIA-VJQPNKNBSA-N 382.479 4.330 0 1 GIAF CC(=O)Nc1nc2ccc(-c3ccnc(NCc4ccccc4)n3)cc2s1 71318283 ZKBNFXQBWVGNHF-UHFFFAOYSA-N 375.457 4.324 0 1 GIAF O=C(O)CCc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 72106645 FDSRUPLKDQKAAX-UHFFFAOYSA-N 399.446 4.290 0 1 GIAF COc1cccc2cc(-c3cn(-c4cccc(C(=O)O)c4)c(=S)[nH]3)c(=O)oc12 73197893 NKOOQEXUIIOFNF-UHFFFAOYSA-N 394.408 4.015 0 1 GIAF Cc1nnc(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)o1 103242314 FAIJKKWPAFUWJG-UHFFFAOYSA-N 376.460 4.185 0 1 GIAF COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@H]1c1ccc(C)o1 136650828 UFUBDAPTJFEFGH-VXKWHMMOSA-N 392.455 4.417 0 1 GIAF CC(C)COc1ccc([C@@H](NC(=O)[C@@H](C)c2ccccc2)[C@H]2CCCN2)cc1 145382582 NRFNHEBMTNEUEI-CDNPAEQRSA-N 380.532 4.434 0 1 GIAF O=C(Nc1ccc(C(=O)N2Cc3ccccc3C2)cc1)N1Cc2ccccc2C1 167298729 SYNLSBCQEVCNSJ-UHFFFAOYSA-N 383.451 4.390 0 1 GIAF O=C(O)CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@H]3CCc4ccccc43)[C@@H]2C1 169360793 GNAKQYNBEYESRS-NAXDYRMWSA-N 396.527 4.222 0 1 GIAF CCc1ccc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1Br 586975961 AJHQBGQDCOAJOY-UHFFFAOYSA-N 388.309 4.495 0 1 GIAF O=S(=O)(O)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587047766 MOVIFSARODLVDJ-VHSXEESVSA-N 383.256 4.388 0 1 GIAF FC(Br)(Br)c1nc2c(Cl)c(Cl)cnc2[nH]1 587089083 XUQYMMGSAJFEHT-UHFFFAOYSA-N 377.826 4.134 0 1 GIAF COC(=O)c1cc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c2cn1 587139836 ZWZHASBDPAYJPS-UHFFFAOYSA-N 389.386 4.420 0 1 GIAF Cc1cc(-c2nc3nc(Cl)ncc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145396 VPGDPYNYDAYVQB-UHFFFAOYSA-N 382.782 4.486 0 1 GIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)cc(F)c2[nH]1 587174161 FORHPTWVCNAFHM-ZDUSSCGKSA-N 391.219 4.327 0 1 GIAF COc1cnccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339633 QUTFVJWDANDQIC-IRLDBZIGSA-N 379.387 4.209 0 1 GIAF Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587349394 PSLHTDFWNCCELN-REWPJTCUSA-N 389.382 4.046 0 1 GIAF CCOC(=O)[C@@H](C(C)C)[C@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399402 JTSTTZIWRLYZJE-QPPBQGQZSA-N 395.499 4.359 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12COCc1cccc(Cl)c12 587551627 HSPHAOCOMQVXIS-SIKLNZKXSA-N 394.810 4.433 0 1 GIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587558121 QFWYULGBBLGUIF-DENIHFKCSA-N 380.371 4.417 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCNc1c(F)cccc12 587566684 ACVPRRHMAQKQSI-XMSQKQJNSA-N 377.371 4.204 0 1 GIAF CC(=O)C[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587736072 YTCCENHLHJULSA-JEOXALJRSA-N 394.259 4.484 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCN2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789886 BULCYCAFUXCEDS-JEOXALJRSA-N 391.284 4.190 0 1 GIAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)NCCc2cccc(-c3ccccc3)c21 962672755 TTZJHRXRERDMGK-RUZDIDTESA-N 384.479 4.484 0 1 GIAF Cc1cc([C@@]2(C3CC3)NCCc3nc4ccccn4c32)ccc1Br 962998269 UEJYMEQHGFAJHQ-HXUWFJFHSA-N 382.305 4.205 0 1 GIAF Cc1cnn(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)n1 1772631547 DKCZHEWSLPBXCX-DZXZBOGNSA-N 399.579 4.175 0 1 GIAF CNc1cc(Oc2ccc(NC(=O)Nc3ccc(OC)cc3)cc2F)ncn1 1772658046 OQYCSFMEJBOYOR-UHFFFAOYSA-N 383.383 4.102 0 1 GIAF COc1ccccc1N1CCN(CC[C@H](O)c2ccc(F)c3ccccc23)CC1 1857644451 NFJVUFZIXRPWTA-QHCPKHFHSA-N 394.490 4.233 0 1 GIAF Cc1nnn2c1-c1ccc(Cn3cccn3)cc1N(c1ccc(Cl)cc1)CC2 1857749715 BALJMSOPRQWRAP-UHFFFAOYSA-N 390.878 4.303 0 1 GIAF COc1ccccc1-c1ccc(C(=O)N2[C@H](C(=O)O)CS[C@@H]2C(C)(C)C)cc1 1857750107 LAIQEKSZMZLTAT-LAUBAEHRSA-N 399.512 4.377 0 1 GIAF CC(C)=CCc1c2c(c(O)c3cc(C(C)(C)O)oc13)C(=O)[C@H]1C=CC=C(O)[C@@H]1N2 2356362878 FSPOYVYBSQSARA-KPZWWZAWSA-N 395.455 4.479 0 1 GIAF CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)NC=O)[C@@]4(C)CC[C@@H]32)C1 2356400756 JGGLJFYZCICQJN-DWADRADRSA-N 386.580 4.205 0 1 GIAF CC1(C)OC[C@H]([C@]2(C)CC[C@]3(C)[C@H](C2)C(=O)C[C@H]2[C@@]4(C)CCC[C@@]23OC4=O)O1 2356723162 ZPFFGPITQXYMAE-LBZKESMMSA-N 390.520 4.025 0 1 GIAF CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)C1 101635411 FULXVPIUTXANTP-BLVKFPJESA-N 399.318 4.160 0 1 GIAF O=C(CCCC(=O)c1ccccc1)NC[C@H]1CCCN1Cc1ccc(Cl)cc1 28392486 SICSIXFZUGHYKQ-OAQYLSRUSA-N 398.934 4.474 0 1 GIAF CN1C(=O)COc2ccc(Sc3cc([C@@]4(C)COC(C)(C)O4)cs3)cc21 27309058 OWGXNNPSVXKNMS-LJQANCHMSA-N 391.514 4.253 0 1 GIAF NC(=O)c1ccc(-c2cnc([C@H](O)CCc3ccc(-c4ccccc4)cc3)o2)nc1 29135704 FKFBXPZGTOGOKT-OAQYLSRUSA-N 399.450 4.169 0 1 GIAF CC1=C[C@H](C)[C@@H]2[C@H](C=C[C@H]3[C@H]2C(=O)C[C@@H](O)CC(=O)O[C@@H](C)C=CC=C[C@H]3C)C1 2356798576 SRCLLXWLXDWBMK-DKIICVNUSA-N 398.543 4.411 0 1 GIAF COC[C@H](CNC(=O)C1CCC1)c1c(-c2ccccc2)n(C)c2ccccc12 36242974 NWGDFTYBMDRIJF-IBGZPJMESA-N 376.500 4.492 0 1 GIAF CC[C@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O 34717805 LDGIYJVCIBYBFK-QGZVFWFLSA-N 380.444 4.320 0 1 GIAF COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc(O)c(CC=C(C)C)c3O[C@@H]1CO2 6186063 GBVCHRDRVDOMQV-NHCUHLMSSA-N 396.439 4.038 0 1 GIAF biogenic COc1cc(C(C)=O)ccc1OCCCN1CCC([C@@H](O)c2ccccc2)CC1 40505072 MKPNGMNNSMGPHR-DEOSSOPVSA-N 397.515 4.112 0 1 GIAF CC(C)Cc1nc2c(NCc3cccs3)ncnc2n1CCN1CCCCC1 82177765 DGBACHLODVZKGF-UHFFFAOYSA-N 398.580 4.184 0 1 GIAF C/C=C(/C)C(=O)OC/C=C/c1cc(OC)c(OC(=O)[C@@H](C)CC)c(OC)c1 49047534 FJDBHVFCXZTAMA-JJUGWMIKSA-N 376.449 4.178 0 1 GIAF COc1cc(-c2cccc3c(CCCO)c(OC)ccc23)cc(OC)c1OC 84604501 OMGSABAQBGEBJJ-UHFFFAOYSA-N 382.456 4.466 0 1 GIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cncc(-c2ccc(F)cc2F)c1 261175841 UVQXIOFZEPHGNW-FQEVSTJZSA-N 396.393 4.281 0 1 GIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@H]4[C@@H]3CC[C@H]12 299820363 NNVCQUGSNITOPM-NOBFDZGFSA-N 388.596 4.381 0 1 GIAF Cc1nn(-c2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)c(C)c1Cl 587065812 YCVVJMPQMXMRMI-UHFFFAOYSA-N 392.772 4.446 0 1 GIAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587225097 NDKIWIVUFGLZMV-SNVBAGLBSA-N 397.784 4.319 0 1 GIAF CN1CCCc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587593167 JRKZYNBXKCZLEP-QPPBQGQZSA-N 387.435 4.478 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1c[nH]c3ccccc13)CC2=O 587480033 BTZYJYXHGWNNKR-QHCPKHFHSA-N 393.439 4.250 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(N)c(N)cc4F)[nH]c3c2)cc1 587137135 PKWXQLNGRMBMGW-UHFFFAOYSA-N 392.390 4.112 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3cccc(C(F)(F)F)c3)c1)O2 587383576 YXINXGHMSFYQNM-GOSISDBHSA-N 387.361 4.488 0 1 GIAF CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587598723 UUVRXFOOHBGFFZ-AVRDEDQJSA-N 378.380 4.199 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(C)(C)O)N1 587824999 FIFHUYQAVMUNNR-BLVKFPJESA-N 378.285 4.137 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nncc(-c2ccccc2)n1 587661622 SOSMKWJGJWCBAX-UHFFFAOYSA-N 395.397 4.044 0 1 GIAF Cc1cc(Br)c2[nH]c(/C=C\S(=O)(=O)c3ccccc3)nc2c1 586926362 ONWQAERNNWPLER-FPLPWBNLSA-N 377.263 4.078 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587160498 CVQPWLMPKNYSEG-NEPJUHHUSA-N 375.197 4.434 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C[C@H](C)N(Cc4ccccc4)[C@H](C)C1)[C@@H](C2)C3=O 587436603 SBHGPINXSZKKGK-BCGPCHPTSA-N 377.484 4.254 0 1 GIAF Cc1cc(=O)oc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(O)ccc12 587530706 GQXJIYKQJRRZEA-LJQANCHMSA-N 376.408 4.392 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cncc(C)c4[nH]3)c(F)c2)c1 587147566 UCIDCXJGXRWUHY-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCCN(C)C)c1)CC2=O 587469571 NTVPAQKBJNIZBC-QHCPKHFHSA-N 383.488 4.166 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(O)cc4[nH]3)c(F)c2)c1 587147611 VUJWWZSRUGMYOD-UHFFFAOYSA-N 378.359 4.448 0 1 GIAF CC(C)Oc1ncccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586159 HWEKOXIETOXFKB-AUSIDOKSSA-N 391.423 4.451 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Cl)cnc2Cl)N1 587707415 VNQLIKVYOZYAKF-PWCHPLFNSA-N 391.071 4.309 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cnc2[nH]1 587079053 FXLHBBKZRNDQJL-LBPRGKRZSA-N 390.672 4.098 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(Cl)c1N)CC2=O 587458685 DXRAVFRNQYSMGG-FQEVSTJZSA-N 375.852 4.470 0 1 GIAF O=C(O)/C=C/c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600779 BJVNKJCSUMVQGQ-NASDIKEPSA-N 388.375 4.193 0 1 GIAF C[C@]1(c2cc(F)cc(Cl)c2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962671765 SRGRZMADOOXHQJ-FCHUYYIVSA-N 398.865 4.389 0 1 GIAF COc1cc2c(cc1OC)[C@H](C(C)(C)C(=O)OCc1ccccc1)N(C)[C@H](C)C2 962622086 JBCUYWBXDYNEHQ-OPAMFIHVSA-N 397.515 4.391 0 1 GIAF Cc1cc(C)nc(SCC(=O)Nc2cccc(NCc3cccs3)c2)n1 1772641083 SZJGVHWWWCLFAH-UHFFFAOYSA-N 384.530 4.498 0 1 GIAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 169358565 GYORZCSFWWIIFC-FJORLLMFSA-N 388.596 4.382 0 1 GIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2ccccc2OC)cc1 169360899 CXUONQXREPWOEC-SSGNWMITSA-N 389.495 4.401 0 1 GIAF COC(=O)[C@@H]1[C@@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N2C 169372283 NYWOLUGCSRCGJB-YFNVTMOMSA-N 399.918 4.470 0 1 GIAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@H](c2cccnc2F)NC(=O)N1 206346837 NXQRZRJOOWCHQL-KRWDZBQOSA-N 391.431 4.001 0 1 GIAF CCCn1c(NCc2cccc(Cl)c2)nc2nc(C3CCCC3)[nH]c2c1=O 166794605 UWZWSSGLKRDCBW-UHFFFAOYSA-N 385.899 4.453 0 1 GIAF O=C(C1CCCCC1)N1CCC([C@@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1 205763354 FDUHADIZUWTWAZ-GMAHTHKFSA-N 393.531 4.023 0 1 GIAF COc1ccccc1-c1nn(-c2cc(OC)c(OC)c(OC)c2)c2ncccc12 1911577867 FIFSBKVYUPTEBO-UHFFFAOYSA-N 391.427 4.122 0 1 GIAF Fc1ccc([C@@H]2NCCO[C@]23COC[C@H](c2cccc(C(F)(F)F)c2)C3)cc1 26503570 MGGPIJOHTZSPND-LSTHTHJFSA-N 395.396 4.448 0 1 GIAF COc1ccc(N2C(=O)N(c3ccc(SC)cc3)C(=N)C2=S)c(OC)c1 69061658 BQKBUPPLOYTTSX-UHFFFAOYSA-N 387.486 4.177 0 1 GIAF COC(=O)CC[C@]1(C)C2=C(CC[C@@H]1[C@H](C)O)[C@@H]1CC[C@@H](C(C)=O)[C@]1(C)CC2 2356558478 AYPDMGOMQQLQMP-YEWJEPEHSA-N 376.537 4.449 0 1 GIAF Cc1ccc(C(=CCCN2CCO[C@@H](C(=O)O)C2)c2ccc(C)s2)s1 66260145 MSZZEOFFGWPPTF-MRXNPFEDSA-N 377.531 4.034 0 1 GIAF Cn1nnnc1Sc1ncnc2scc(-c3ccc(C(F)(F)F)cc3)c12 36380179 YLOIWTHVMDILDR-UHFFFAOYSA-N 394.407 4.052 0 3 GIAF O[C@@H]1CCC[C@H](n2cc(-c3ccc4c(c3)Cc3c[nH]nc3-4)c(-c3ccncc3)n2)C1 71331206 VKTWVYJAUHKWAJ-VQTJNVASSA-N 397.482 4.382 0 1 GIAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]c(Cl)nc34)n(C3CC3)c(=O)c12 88346123 ZYCRCLGCVUXALL-NSHDSACASA-N 394.866 4.138 0 1 GIAF Cn1cc(C2=C(c3coc4ccc(F)cc34)C(=O)NC2=O)c2cc(Cl)ccc21 40423749 XAGNSTCBIXPKPO-UHFFFAOYSA-N 394.789 4.284 0 1 GIAF O=C(Nc1ccccc1)Nc1ncc(CCNc2ncnc3ccsc23)s1 40898285 KLMNDRZFWQDVRL-UHFFFAOYSA-N 396.501 4.446 0 1 GIAF O=C(NC1CCCC1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1 40892351 CWGBGDPQPQTQBG-XUZZJYLKSA-N 393.575 4.312 0 1 GIAF CCOC(=O)C1=CN(Cc2ccccc2)[C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C1 254131864 IDPPECWXGYLOCA-TZIWHRDSSA-N 396.874 4.370 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2-c2ccccc2)N1 587762658 ZDGTVMIQKSEDTK-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF CCCCC[C@@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587795415 IWOTWDTUILOJPG-KZULUSFZSA-N 386.305 4.461 0 1 GIAF CC(C)(C)OC(=O)NCC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572840 RGKDDDIMZMFWFY-JTSKRJEESA-N 399.443 4.027 0 1 GIAF NC(=O)c1cccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 586999841 CKEPJZWITGIKRY-UHFFFAOYSA-N 396.244 4.157 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3snnc3c2)N1 587858169 OWDCQKYQASKCRK-BCTVWOGZSA-N 378.270 4.217 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c[nH]1 587549858 YQJUBETTWKWLBI-CRAIPNDOSA-N 386.201 4.186 0 1 GIAF Cc1ncc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C)c1Br 586979305 WJDIZWYBJZMBBW-UHFFFAOYSA-N 386.228 4.329 0 1 GIAF Brc1ccc(NCCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 586995284 IXWNFBDJDJQXTC-UHFFFAOYSA-N 388.265 4.141 0 1 GIAF COC(=O)c1cc2nc(-c3ccc(-c4ccc(OC)cc4F)cc3F)[nH]c2cn1 587152412 MSSYIZKZTCPFOL-UHFFFAOYSA-N 395.365 4.365 0 1 GIAF CCOc1ccccc1[C@](N)(c1nc2ccc3ncccc3c2[nH]1)C(F)(F)F 587093907 ZVNNORMDMNAGIE-IBGZPJMESA-N 386.377 4.274 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587795865 JPJPQAPTXKKCTM-GWSNDMCOSA-N 398.316 4.317 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2ccccc2)N1 587827364 KUYILXVVIMHITA-HXPMCKFVSA-N 392.268 4.231 0 1 GIAF O=Cc1cc(Br)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 586982179 HWIVDLFVGSXLBW-UHFFFAOYSA-N 385.196 4.130 0 1 GIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1 586974709 XMIDKTMBSIXDFP-AWEZNQCLSA-N 379.407 4.091 0 1 GIAF CC[C@@]1(c2ccc(C(=O)O)cc2)NC2(CC2)Cc2ccc(Br)cc21 961328028 WCXRJVPZPAZGAI-FQEVSTJZSA-N 386.289 4.479 0 1 GIAF Cc1c(F)ccc2c1[C@@](C)(c1ccc(OCc3ccc(C(=O)O)o3)cc1)NCC2 962303150 VGRPDJFCKOLLRK-HSZRJFAPSA-N 395.430 4.414 0 1 GIAF O=c1[nH]c(CCCN2CC=C(c3ccccc3)CC2)nc2ccc(Cl)cc12 13581544 YHFILTANHWGBSB-UHFFFAOYSA-N 379.891 4.298 0 1 GIAF CCCCNC(=O)[C@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 169720753 IRDRQDLCRGLRFE-DLBZAZTESA-N 379.291 4.418 0 1 GIAF CC(C)[C@H]1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21 2047482 DARQQJKHXPXSRO-JOCHJYFZSA-N 386.499 4.219 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1ccccc1)CN(CCCCN(C)C)CC2 13743913 GYOHDBSQAACLOI-JOCHJYFZSA-N 382.548 4.036 0 1 GIAF COc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(CC=C(C)C)c1OC 14762667 LMJYCCOYYJEVOW-GOSISDBHSA-N 384.428 4.330 0 1 GIAF endogenous,in-man OCc1cccc2[nH]c(-c3n[nH]c4ncc(-c5cncc6ccccc56)cc34)nc12 28950058 HPGCVHHKMXXSAL-UHFFFAOYSA-N 392.422 4.209 0 1 GIAF O=C(NC1CCCCC1)c1cn(Cc2ccccc2)c2nc(Cl)ccc2c1=O 35050285 GXUDVWWCSLVPHY-UHFFFAOYSA-N 395.890 4.161 0 1 GIAF NS(=O)(=O)c1cc(-c2nc3cccc(-c4ccc(F)cc4)c3s2)cs1 35901007 MIFDHEUZGZHWQZ-UHFFFAOYSA-N 390.486 4.478 0 1 GIAF CC[C@@H](c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1)N(C)C 40973465 PKWNHRGUHZKXHZ-SFHVURJKSA-N 390.466 4.192 0 1 GIAF FC(F)(F)c1cccc(-c2ccc(N3CCOCC3)nn2)c1C(F)(F)F 45394200 QKSTVKQKJHYJSK-UHFFFAOYSA-N 377.288 4.018 0 1 GIAF CC(=O)O[C@@H]1O[C@H]2OC(=O)[C@H](C)C3=C([C@@]4(C)CCCC(C)(C)C4)CC[C@@H]1[C@H]32 48999161 LYEXPFKXURJWNG-MEYBLWIUSA-N 376.493 4.354 0 1 GIAF Fc1cnc(N2CCC(N[C@H](c3ccc(Cl)cc3)c3cccnc3)CC2)nc1 72103017 WSRCMDLYWFLWNE-HXUWFJFHSA-N 397.885 4.012 0 1 GIAF CC(C)N1CCN(c2nccc(NC(c3ccccc3)c3ccccc3)n2)CC1 72122708 LEAAVIRMAKBSFE-UHFFFAOYSA-N 387.531 4.209 0 1 GIAF COc1ccc(Cn2cnc3cnc(Nc4cccc(F)c4)cc32)cc1OC 82084587 BJTOTDQDEVKHIH-UHFFFAOYSA-N 378.407 4.380 0 1 GIAF CCCCc1nc2nc(N3CCC(Cc4ccccc4)CC3)ccc2[nH]c1=O 82231724 OQFLZRKQSOYSIH-UHFFFAOYSA-N 376.504 4.120 0 1 GIAF OC1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 100891407 GTTZJRAWTCRMLB-OKSZWONQSA-N 398.591 4.185 0 1 GIAF CO/C=C(/C(=O)OC)c1ccccc1COc1cc(-c2ccc(C)cc2)nn1C 103178736 WEPLRYQAAKQXOH-HMMYKYKNSA-N 392.455 4.135 0 1 GIAF Cc1ccc(NC(=O)CC(=O)O)c2ccn(Cc3ccc(O)c(C(C)C)c3)c12 103239833 XSZSWHNJVRGLOK-UHFFFAOYSA-N 380.444 4.240 0 1 GIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2cccc(OC)c2)cc1 169350698 WZOWKFNPGXEKBJ-SOKLMYDMSA-N 389.495 4.401 0 1 GIAF CCCCC(C)(C)[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 195380082 MZFSUBMVKUYQSC-LSINFKJJSA-N 392.536 4.102 0 1 GIAF CC(C)[C@@H]1CC[C@@]2(C)CC[C@@H](O)[C@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1 238763121 BYIDNKQJXAGYPI-MYDQEJALSA-N 386.532 4.206 0 1 GIAF CN=c1[nH]c(C)c(C2=NN(c3ccccc3)[C@H](c3ccc(OC)cc3)C2)s1 473120524 DWCFFISTQFIZNA-IBGZPJMESA-N 378.501 4.279 0 1 GIAF CCOC(=O)c1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005823 VGKXUVGUGKUBIY-UHFFFAOYSA-N 380.629 4.218 0 1 GIAF FC(F)(F)c1ccn(Cc2cc(-c3nc4c(cnc5ccccc54)[nH]3)no2)n1 587119384 WQARUJDHJUOFCR-UHFFFAOYSA-N 384.321 4.030 0 1 GIAF CN(C)/C=C1\C[C@H](NC(=O)OC(C)(C)C)Cc2c1nc1cccc3c1c2CC3 587211796 WSARYNGOCUIUDA-MDJJKAFGSA-N 379.504 4.075 0 1 GIAF Cc1nc(O)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336160 JHUGVDYYEJLHGI-IRLDBZIGSA-N 379.387 4.215 0 1 GIAF Cc1ccc2c(n1)NCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352386 XCGFCECROCPSLO-REWPJTCUSA-N 390.414 4.305 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1sc(-c4ccc(C)n4C)nc1C)[C@@H](C2)C3=O 587449612 GDBSDHAJIAMLAZ-OYHNWAKOSA-N 394.496 4.437 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cccnc1Cl)CC2=O 587460146 GTRWWWXIFXRHJJ-HXUWFJFHSA-N 388.851 4.146 0 1 GIAF COC(=O)[C@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587524921 NPADGTHZWRFJHY-UUOWRZLLSA-N 376.452 4.477 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)nc1 587591942 GNXFTOKCZDHJTQ-REWPJTCUSA-N 388.423 4.090 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587823720 VUBWUZOVDXWTPY-ICJRKDOFSA-N 382.317 4.135 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c(O)cccc32)N1 587835242 VUYUIPLPVXEVNR-JEOXALJRSA-N 376.269 4.408 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(c1cc(C(C)=O)cc(C(C)=O)c1)N(C)[C@@H](C)C2 962568394 FPNQRMPLYSMWAL-BSEYFRJRSA-N 395.499 4.249 0 1 GIAF COc1ccc([C@H]2C[C@@H]2[C@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962770921 UDDHIVIOEYJAPE-WQZMEWCLSA-N 389.417 4.360 0 1 GIAF Cc1ccc([C@]2([C@H]3CC[C@@H](C(=O)O)CC3)NCCc3c2c(C(C)C)nn3C)cc1 962916187 IZOQDMRXQACOMK-YIGJPRQDSA-N 395.547 4.132 0 1 GIAF O=C1C[C@H](O)C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 2356695824 XZGQELXAZMAZCD-PKTZIBPZSA-N 388.463 4.062 0 1 GIAF CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F 769346 JSDPZVNRIPCQIC-WBVHZDCISA-N 381.234 4.313 0 1 GIAF O=C(Nc1ccccc1)N1CCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 3955856 RHGFJUMPBFKMEF-UHFFFAOYSA-N 395.478 4.376 0 1 GIAF Cc1csc(NC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)n1 4935274 ZHERMOGCISITEV-UHFFFAOYSA-N 391.500 4.349 0 1 GIAF O=C1Nc2cccc3c2[C@@]1(CCCCN1CCN(C2CCCCC2)CC1)CCC3 22925775 WSHBWAIJJCWATC-RUZDIDTESA-N 395.591 4.333 0 1 GIAF COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)occ(Cl)c2=O)cc1 26270368 FONOMCHGFRXBLC-UHFFFAOYSA-N 390.844 4.039 0 1 GIAF O=Cc1ccccc1-c1ccc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1 28379997 XMAARODROLJQOY-QHCPKHFHSA-N 384.479 4.170 0 1 GIAF COc1cccc(Cn2nc(C(F)(F)F)c(Cc3ccc(F)cc3)c2O)c1 28766838 PLVQWSZVRFEZIN-UHFFFAOYSA-N 380.341 4.394 0 1 GIAF COc1cc([C@H]2[C@H]3C=CC=C4CC=CC(=C43)[C@@H]3CCC(=O)N32)cc(OC)c1OC 31897485 UZISGKOETGDJKE-BSRJHKFKSA-N 391.467 4.127 0 1 GIAF CCCCOc1ccc([C@@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1 34948156 JJIVIBNFUQPABT-GURNRWOFSA-N 395.547 4.064 0 1 GIAF O=C(O)CCCCc1ccc(OCCN(c2cccnc2)c2ccccn2)cc1 40848044 HEHSOBHKNYLCNM-UHFFFAOYSA-N 391.471 4.491 0 1 GIAF CO[P@](C)(=O)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 40891608 LQMKPARCMBEMRC-VWLOTQADSA-N 386.413 4.429 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](NC5CCCC5)C[C@@]43C)[C@@H]1CC[C@@H]2O 40954448 ZQCJPSYKXDYIAX-BBUGLDKJSA-N 375.597 4.262 0 1 GIAF CC(C)N1CCN(C(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)nc2)CC1 53314331 CWVSGHVVKAFRPJ-UHFFFAOYSA-N 394.302 4.347 0 1 GIAF CCCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1 71330047 IDNHCMZLIRXIKO-UHFFFAOYSA-N 396.447 4.361 0 1 GIAF CC[C@@]1(CCCCN2CCN(c3cccc(F)c3)CC2)C(=O)Nc2ccccc21 72141073 AWGFZNMQYCSMBR-DEOSSOPVSA-N 395.522 4.418 0 1 GIAF O=C1OCC(OCCOC(=O)c2cccc(Cl)c2)=C1c1ccc(Cl)cc1 96914305 ZYFGKYUNGVZLIR-UHFFFAOYSA-N 393.222 4.135 0 1 GIAF O=C(NC1CCCCC1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2F)cc1 100113987 QBOZKMBTLWCUBR-JKHIJQBDSA-N 393.506 4.275 0 1 GIAF C[C@]1(O)C[C@@H](c2nc(-c3cccc(Nc4ccccc4)c3)c3c(N)nccn32)C1 100619139 KAVPKNTWSZYRJH-PAVFIEEWSA-N 385.471 4.351 0 1 GIAF COc1cc(-c2ccc3ncnc(Nc4cccc5[nH]nnc45)c3c2)ccc1O 143048600 RBUGHHDIROAPEP-UHFFFAOYSA-N 384.399 4.026 0 1 GIAF COc1cccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCC[C@@H]4[C@H]3C2=O)c1 195514330 OHMBYDILZVAUPW-LVNJIZSUSA-N 386.451 4.347 0 1 GIAF Cc1cccc([C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1 199427492 GEAWGCJQCGWBBV-HXUWFJFHSA-N 388.515 4.159 0 1 GIAF O=C(Nc1nc2ccc3[nH]ncc3c2s1)[C@@H]1CCCN1c1ccc(Cl)cc1 202052526 WPUAUVLQGGVTCY-INIZCTEOSA-N 397.891 4.434 0 1 GIAF Fc1cc2[nH]c(-c3ccnc(Cl)c3Br)nc2cc1-n1cccn1 586978908 CEPGQCZNBPLQFM-UHFFFAOYSA-N 392.619 4.366 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccc(O)cc3[nH]1)N2 587032457 SXBBNXVOASOQGO-UQDQQJHMSA-N 386.502 4.395 0 1 GIAF Cc1cc(Br)c2[nH]c([C@@H]3CSCN3C(=O)C(C)(C)C)nc2c1 587042182 IZLBFYWEBICTMZ-LBPRGKRZSA-N 382.327 4.254 0 1 GIAF Cc1onc(-c2nc3cc4c(cc3[nH]2)OCO4)c1COc1ccc(Cl)cc1 587076354 QVXOKBQKYKGMEN-UHFFFAOYSA-N 383.791 4.487 0 1 GIAF O=C1c2ccccc2-c2cc(-c3ccc(-n4cnnn4)cc3)nc3cccc1c23 587103918 CDTUAYIAHOZBHZ-UHFFFAOYSA-N 375.391 4.089 0 1 GIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccnc(Br)c2[nH]1 587109488 VZYVVZGIVIELAU-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF C[C@H](F)[C@H](N)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587126074 VOSCXTUKACHCMP-QFYYESIMSA-N 378.245 4.262 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(I)c(F)c1)O2 587387377 QUJSKYCLLABYFY-OAHLLOKOSA-N 397.187 4.027 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cccc(Br)c14)[C@@H](C2)C3=O 587416982 HIKDEJRSBOTWOH-JEOXALJRSA-N 384.229 4.428 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(NC(C)=O)c1)CC2=O 587471857 VRJZWANYLXLXDU-JOCHJYFZSA-N 383.444 4.192 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@@H](C)C(=O)OC)CC2=O 587483039 UESWHCDMYVPBBL-PSLXWICFSA-N 398.455 4.023 0 1 GIAF CN1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(F)c2)CC1 587502947 JBHLWTDPSKDZFO-QHCPKHFHSA-N 394.490 4.163 0 1 GIAF CCO/C=C(/C(=O)OCC)[C@@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587505331 KHHXOHHQBYQPIG-MJGOQDMVSA-N 394.414 4.018 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518753 PGWGVYXWOBHQLM-VBURHUQHSA-N 383.488 4.299 0 1 GIAF COc1nc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554392 XERHIXQRPQXRFL-QFBILLFUSA-N 383.787 4.152 0 1 GIAF CC(C)n1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587582829 RHYZURXXGBZOKY-KNQAVFIVSA-N 378.428 4.133 0 1 GIAF CC(=O)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599916 IXEAELKWQZSHGI-KNQAVFIVSA-N 376.364 4.020 0 1 GIAF O=C(Cc1csc(-c2ccc(F)cc2)n1)n1ncc2ccc(Cl)cc2c1=O 587651565 MPVOPKGJNHYATQ-UHFFFAOYSA-N 399.834 4.195 0 1 GIAF CC(=O)C[C@@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587727341 OEICIUXOGGEFII-WYRIXSBYSA-N 394.259 4.484 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C3CCCC3)C2)N1 587771706 WTVFTZWDWSPFBI-YJYMSZOUSA-N 381.333 4.356 0 1 GIAF Cc1ccc2nc(C)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 587774293 LZDNPOFKMXHWCE-BBATYDOGSA-N 388.284 4.476 0 1 GIAF CC(C)Oc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587774763 XPLXPHMEIXCWRQ-VOJFVSQTSA-N 379.273 4.394 0 1 GIAF CCOc1ccc(C(=O)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587799013 AAGFLNHSVGWELV-BBATYDOGSA-N 392.268 4.445 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C2CC2)[nH]n1 587866782 PLDDRZJRUDJUQK-UHFFFAOYSA-N 390.365 4.257 0 1 GIAF COc1ccc(-c2ccc(-c3nc4ccc(CCO)cc4[nH]3)c(O)c2)cc1OC 587927092 NKQQOFFFFXUEBZ-UHFFFAOYSA-N 390.439 4.155 0 1 GIAF Cc1ccnc(Nc2nc(C(=O)Nc3ccc(-c4cnco4)cc3)cs2)c1 621429283 XXWNLDRDIOUHIF-UHFFFAOYSA-N 377.429 4.497 0 1 GIAF C[C@@]1(c2cc(F)cc(Cl)c2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962671770 SRGRZMADOOXHQJ-YADHBBJMSA-N 398.865 4.389 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccc(CN)s1)C(C)(C)C 963051577 YZPMVEDZGAHVOX-JOCHJYFZSA-N 381.545 4.199 0 1 GIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(c1cccnc1)c1ccc2c(c1)CCO2 963093429 BPWSXOYOFLWBCQ-RCZVLFRGSA-N 386.470 4.468 0 1 GIAF Cc1[nH]nc2ccc(-c3cc(NCCCO)cnc3-c3cc(F)ccc3O)cc12 1772573631 BZERMWHEQZQJAB-UHFFFAOYSA-N 392.434 4.239 0 1 GIAF N[C@H](CNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1)C(=O)O 1772577355 ZEEWVVHNUHNZHK-HXUWFJFHSA-N 376.481 4.223 0 1 GIAF Cc1ccc(C(=O)CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 1857638352 WRKURGSTCUAGNB-UHFFFAOYSA-N 376.422 4.409 0 1 GIAF Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 1857648710 SGNVQIGYVYFLHY-UHFFFAOYSA-N 389.430 4.331 0 1 GIAF CC(=O)O[C@@H]1[C@H]2c3oc(-c4ccccc4)cc(=O)c3-c3ccoc3[C@@H]2OC1(C)C 2356455915 LRKIXOZDMXDDBU-VLCRHTCISA-N 392.407 4.446 0 1 GIAF COc1ccc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)cc1OC 5022366 WHOYWEJIDSBAHK-UHFFFAOYSA-N 394.452 4.023 0 3 GIAF Cc1cccc(-n2nc3c(c2NC(=O)CC2CCCCC2)C[S@@](=O)C3)c1C 2724838 VAMQCRCWCPKRLF-MHZLTWQESA-N 385.533 4.160 0 1 GIAF CC[C@H]1Oc2ccc(Cl)cc2N(CC(=O)NC2CCCCCCC2)C1=O 4676907 SMAYHULIPUSYTE-QGZVFWFLSA-N 378.900 4.073 0 1 GIAF COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([C@H](C)O)cc2)cc1 13557968 QDZKFVOGGMEKES-HNNXBMFYSA-N 390.439 4.253 0 1 GIAF Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4c(F)cccc4F)c3)cc12 14961623 CGGAUEQIORNODN-INIZCTEOSA-N 394.425 4.160 0 1 GIAF COc1cc(C)cc2ccc(-c3ccc4c(c3O)[C@H](C)N[C@H](C)[C@H]4O)c(O)c12 15121591 NNCITNDNYQWFCU-OSRJUQGESA-N 379.456 4.321 0 1 GIAF biogenic CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 28759103 GNWBLLYJQXKPIP-XKAVAZNNSA-N 388.596 4.334 0 1 GIAF NCCCCN(C/C=C/c1ccccc1)C(=O)CCc1c[nH]c2ccccc12 28825886 VJKUKLYBJRRMDZ-DHZHZOJOSA-N 375.516 4.381 0 1 GIAF CCCCN(C(=O)C(C)C)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 36184808 NYZBEJJPKODUPY-UHFFFAOYSA-N 392.365 4.244 0 1 GIAF CC(C)(C)NCc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1 40953728 FZGBXZFHFFMTQC-UHFFFAOYSA-N 390.466 4.068 0 1 GIAF COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1 53204472 VFVYVWQENQPQHA-UHFFFAOYSA-N 380.513 4.305 0 1 GIAF COC(=O)[C@@H]1[C@@H](O[C@H](c2ccccc2)c2ccc(C)cc2)C[C@@H]2CC[C@@H]1N2C 100761253 KVVSZDPIQNKZIJ-XZCBWCRCSA-N 379.500 4.125 0 1 GIAF Cc1ccc2nc(N3CCC(F)(F)c4ccccc4C3)cc(NCCN)c2c1 205297198 GYXTZQMLCDYNPB-UHFFFAOYSA-N 382.458 4.416 0 1 GIAF O=C1C[C@H](Cc2nc3c(Cl)ccnc3[nH]2)c2c(Br)cccc2O1 587002469 GIOHNVSDMNTUCZ-QMMMGPOBSA-N 392.640 4.009 0 1 GIAF CCCn1cnc2cc(-c3nc4cncc(OC)c4[nH]3)cc(Br)c21 587003976 OESTVFRRUGYIRO-UHFFFAOYSA-N 386.253 4.156 0 1 GIAF COCCN1C(=O)CC[C@H](c2nc3cncc(C)c3[nH]2)[C@H]1c1ccccc1Cl 587062211 FXRXYLGFIVGENE-MGPUTAFESA-N 398.894 4.013 0 1 GIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cc2N1 587127044 QIDYOXFLSBTGHC-SVGQVSJJSA-N 391.184 4.436 0 1 GIAF COc1cc(-c2nc3cc(F)cnc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143761 KRCZTRWBXZPMLP-UHFFFAOYSA-N 381.338 4.277 0 1 GIAF Fc1cc2c(c(Cc3nc4cc(Br)c(F)c(F)c4[nH]3)c1)OCOC2 587171860 UBMTWSODCYBBQY-UHFFFAOYSA-N 399.166 4.200 0 1 GIAF Fc1cncc(Cl)c1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 587176560 VZEPXGQSTPIGTB-UHFFFAOYSA-N 376.563 4.382 0 1 GIAF CC(C)CCOc1cc2nc(Cc3ccc(=N)[nH]c3)[nH]c2cc1Br 587253329 HWSFTICHLQTSRB-UHFFFAOYSA-N 389.297 4.149 0 1 GIAF Cc1n[nH]c(C)c1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346124 LFJKYAZELCQCTO-IFMALSPDSA-N 380.419 4.232 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(C)cc1Cl)[C@@H](C2)C3=O 587423216 UDKVEDJRRSLDIQ-QKKBWIMNSA-N 385.847 4.192 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccc5c(c4)OCO5)n1)[C@@H](C2)C3=O 587453725 YRZRVSMAAOOQAB-RNODOKPDSA-N 393.420 4.036 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC=C2Br)N1 587680406 IWWDDDKKDLVDGP-RTHLEPHNSA-N 375.079 4.390 0 1 GIAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(F)c1F 587716939 KCZVOVRJUKJNHW-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc3ccc(F)cc3[nH]2)N1 587729339 HJFYDNYJAHBNSH-YYSFKGJASA-N 392.247 4.401 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3ccc(F)cc32)N1 587736654 WRDWSVMLXRGXKV-MGNBDDOMSA-N 379.248 4.321 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCNC(=O)OC(C)(C)C)N1 587755822 PIVIWHATAUOMDR-BONVTDFDSA-N 387.293 4.078 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ncco2)N1 587773443 IMWNNSLKNMRQNO-CWTRNNRKSA-N 387.252 4.402 0 1 GIAF CCOc1cc(O)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587804396 ZEUGUHOHRLDOTA-MGNBDDOMSA-N 380.257 4.316 0 1 GIAF CCC(=O)OC1=C(C)OC=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587829322 BSOVINHHNQFVET-YPMLDQLKSA-N 396.256 4.046 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C3(C)COC3)cc2)N1 587835877 RDWQGEZRHQLCCZ-BLVKFPJESA-N 390.296 4.500 0 1 GIAF CC[C@@]1(Cc2nc3cncc(Br)c3[nH]2)CC(=O)c2ccccc2C1 587960969 OVKRKVZPITXTKI-IBGZPJMESA-N 384.277 4.488 0 1 GIAF O=C(Nc1ccccc1-c1nc[nH]n1)c1cc2ccccc2nc1N1CCCCC1 621432706 FFKLYLODBGCZQG-UHFFFAOYSA-N 398.470 4.263 0 1 GIAF O=C(O)c1cccnc1SCc1cc2ccccc2n(-c2ccccc2)c1=O 957861887 FRKPHAXTKHGSBQ-UHFFFAOYSA-N 388.448 4.376 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](Cc2ccccc2Cl)(c2ccco2)N1 962904489 VUHGLCJDEAHDTQ-LAUBAEHRSA-N 385.822 4.157 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(CC(=O)NCCc2ccccc2)N1 962958674 QPHXFROVLXAWGY-KOSHJBKYSA-N 375.516 4.056 0 1 GIAF Cc1ncc([C@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)s1 962961407 UKUVPBVMSTYYQE-QGZVFWFLSA-N 382.451 4.385 0 1 GIAF Clc1cccc(-c2n[nH]c3nccc(-c4ccc(N5CCNCC5)cc4)c23)c1 1857580482 LOHXKGVVABQSDN-UHFFFAOYSA-N 389.890 4.355 0 1 GIAF CCCCC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCCCC(=O)O 2356387549 YMDDELUTDBQEMT-JTJHWIPRSA-N 382.541 4.255 0 1 GIAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356608750 UFUIABFILCOVIM-VPTMNIGTSA-N 394.511 4.181 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@H]2C[C@@H](O)CC[C@@]21C 2356814525 CILFZDDLSHDCJG-GDCCXJRSSA-N 378.553 4.088 0 1 GIAF C[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)[C@H](c1ccccc1)N1CCOCC1 25330253 FPKAXAANJAYIHC-DZVQBONVSA-N 386.580 4.417 0 3 GIAF C[C@H]1[C@@H](C(=O)N2CCCC2)Cc2nc3ccccc3nc2C[C@@H]1c1ccccc1 36381817 CGENSMUWQKQSIK-HOJAQTOUSA-N 385.511 4.387 0 3 GIAF CCN(CC)c1nnc(CCCCCCCCc2nnc(N(CC)CC)o2)o1 5923504 HDJZWHOILBVXON-UHFFFAOYSA-N 392.548 4.271 0 1 GIAF Cc1c(C(=O)c2cccc3ccoc23)c2ccccc2n1CCN1CCOCC1 13742605 RZCBDNOBKGMNEI-UHFFFAOYSA-N 388.467 4.259 0 1 GIAF NC(=O)c1cnc2cc(-c3ccncc3)ccc2c1Nc1ccc(F)c(F)c1 28959789 VLKNXMVJPAISFY-UHFFFAOYSA-N 376.366 4.418 0 1 GIAF CC[C@]1(CCCc2ccccc2)CN(c2c(OC)cc(OC)cc2OC)C1=O 29468419 RZSADZPNOGPQHK-QHCPKHFHSA-N 383.488 4.478 0 1 GIAF CO[C@@H](Cc1ccc2c(ccn2Cc2nc(-c3ccccc3)oc2C)c1)C(=O)O 34097435 ZYZXCPVWUZRARY-NRFANRHFSA-N 390.439 4.295 0 1 GIAF CN(C)CCc1cccc2[nH]c(C(=O)NCCCc3ccc(Cl)cc3)cc12 40763384 GPONDRWNQDFWHT-UHFFFAOYSA-N 383.923 4.288 0 1 GIAF CC(=O)OCc1ccc2oc(=O)c(C(=O)Sc3cccc(Cl)c3)cc2c1 40848380 OCKKREONNIVCKB-UHFFFAOYSA-N 388.828 4.442 0 1 GIAF COc1ccc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C(F)(F)F)n1 43073162 FZAUHCBIADRJSU-MRVPVSSYSA-N 388.777 4.034 0 1 GIAF COc1ccccc1NC(=O)CN1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1 44889125 JZRYNBDJLBCLSE-UHFFFAOYSA-N 392.503 4.006 0 1 GIAF CCCCOc1ccc2oc(-c3ncc(CN4CC(C(=O)O)C4)s3)cc2c1 66065879 LHCOLDKKHIYDRM-UHFFFAOYSA-N 386.473 4.252 0 1 GIAF CNc1ccc(C(=O)c2cc3cc(I)ccc3o2)cc1 72170723 UPZSAHVMDJZSHS-UHFFFAOYSA-N 377.181 4.310 0 1 GIAF Cc1noc(C)c1-c1ccc2c(Nc3ccccc3F)c(C(N)=O)cnc2c1 84596974 KFUKDXYDCKKZNK-UHFFFAOYSA-N 376.391 4.488 0 1 GIAF COCCNC(=O)c1ccc(Nc2ncc3cc(-c4ccccc4)ccc3n2)cc1 95592266 RHEWHJNXGKYLNU-UHFFFAOYSA-N 398.466 4.417 0 1 GIAF CN(C)CCCn1cc(-c2ccc3c(c2)CC[C@H]3N=O)c(-c2ccncc2)n1 169686127 YNOFAPGWJZOOII-OAQYLSRUSA-N 375.476 4.318 0 1 GIAF CCn1c(NC2CCCC2)nc2c(-c3ccccc3C(=O)OC)csc2c1=O 299838940 RNSJYRPKHWUJCW-UHFFFAOYSA-N 397.500 4.286 0 1 GIAF N=[S@@](=O)(c1ccccc1)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 299855946 BGXXRPXOHFDRGL-MUUNZHRXSA-N 391.452 4.223 0 1 GIAF Nc1ncnc2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587071772 RDAXGHNXYMPGMI-RMKNXTFCSA-N 377.835 4.338 0 1 GIAF Cc1csc([C@](O)(Cc2nc3cc(Cl)cc(C)c3[nH]2)C(F)(F)F)n1 587092995 CNGPWNOSEQNGTA-CQSZACIVSA-N 375.803 4.282 0 1 GIAF Fc1cc(F)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1Br 587135925 IIHDAUJKOIYZML-UHFFFAOYSA-N 381.176 4.432 0 1 GIAF O=C(O)c1cccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587182024 BPPGJGJBZNFFSA-UHFFFAOYSA-N 398.587 4.186 0 1 GIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccnc(Cl)c2[nH]1 587199097 ZRYBCSBWOYXDHS-UHFFFAOYSA-N 377.835 4.137 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]3CN(Cc4ccccc4)C[C@H]31)O2 587398935 JRTNNEYLLXBRHE-NRYAXDJKSA-N 376.500 4.213 0 1 GIAF CCn1ncc(Br)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495279 CCTBTCOFKNHPBK-LJQANCHMSA-N 389.293 4.425 0 1 GIAF C[C@H](C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)OC(C)(C)C 587595395 NJYFIXADRXMYBU-JEBQAFNWSA-N 384.428 4.090 0 1 GIAF CC(C)N1C[C@@H]2CCC[C@H](C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599054 YWVMJPRHAFVVLF-SNKLLMNHSA-N 393.483 4.233 0 1 GIAF CC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650278 QYVVQAYDYQIWHY-UHFFFAOYSA-N 381.375 4.460 0 1 GIAF O=c1c2cc(Cl)ccc2cnn1-c1nc2ccc(Br)cc2s1 587653484 IDZDXRWGRMAHIJ-UHFFFAOYSA-N 392.665 4.411 0 1 GIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nnc(C2CC2)s1 587657262 SUYLQNIRTZZROK-UHFFFAOYSA-N 382.395 4.060 0 1 GIAF O=C(Cn1ccc2ccccc21)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661015 KSMQRYLKOODMDD-UHFFFAOYSA-N 397.409 4.498 0 1 GIAF COc1cc2c(cc1F)[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587734919 SPRIVNGXDUSLEG-GIGQVBGESA-N 394.259 4.460 0 1 GIAF COCCOc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587791336 HMVNVLVAYMFNQF-HXPMCKFVSA-N 394.284 4.237 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(C)(C)O)N1 587825002 FIFHUYQAVMUNNR-HXPMCKFVSA-N 378.285 4.137 0 1 GIAF COC(=O)c1sccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587843690 JNIJNYVIFZRBKH-XLKFXECMSA-N 384.270 4.060 0 1 GIAF COC(=O)c1cc2nc(C[C@H](C)CCC(=O)O)[nH]c2c(F)c1Nc1ccccc1 587963432 WGAJIZMHQHBRIF-GFCCVEGCSA-N 399.422 4.276 0 1 GIAF CCCCCOc1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc2c1 653857974 SLAHXFPDTKMWFU-IBGZPJMESA-N 393.491 4.489 0 1 GIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CC(=O)NCCc2ccccc2)N1 962958680 QPHXFROVLXAWGY-MHECFPHRSA-N 375.516 4.056 0 1 GIAF Cc1ccnc2c1CCN[C@H]2C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 963078165 XMXYFNDRTUCQFE-QUCCMNQESA-N 381.520 4.103 0 1 GIAF COc1ccc(C2=C[C@H](c3ccc(Br)cc3)NC(=S)N2)cc1 1772575571 FCOHAFBDYPOXJT-OAHLLOKOSA-N 375.291 4.018 0 1 GIAF CN1CCC(Nc2nc(Nc3ccc(F)c(Cl)c3)nc3cccnc23)CC1 1772625562 WZNLNPRJKHOMCS-UHFFFAOYSA-N 386.862 4.067 0 1 GIAF COc1ccc(-c2c[nH]c([C@@H](O)c3ccc(CN4CCCCC4)cc3)n2)cc1 61925696 LIOBSNYOWVESPO-QFIPXVFZSA-N 377.488 4.153 0 3 GIAF Cc1cccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)c1C 3051379 BBNVUNDSLFKUSI-UHFFFAOYSA-N 397.478 4.126 0 1 GIAF COC(=O)[C@@H](C)NC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl 13438060 AYKDMPODBQYOKS-LLVKDONJSA-N 381.259 4.337 0 1 GIAF CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(=O)C(=O)N(CC)CC)c3c2C1 13741715 REIFSICUZLPXAD-SFHVURJKSA-N 397.563 4.198 0 1 GIAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC(=O)[C@@H]12 27635298 NTLOERPHSXBROY-YUHXZNIQSA-N 384.516 4.306 0 1 GIAF CCN(CC)[C@@H](C)c1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 28137121 PFFIGJRGVPXHLW-NYHFZMIOSA-N 383.488 4.293 0 1 GIAF CCCCCN1CCC[C@H](CNC(=O)CSc2nc3ccccc3s2)C1 28231274 LMWUOMAZQPYQFX-MRXNPFEDSA-N 391.606 4.407 0 1 GIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@H]4[C@H]3CC[C@@H]12 34801312 NNVCQUGSNITOPM-MCWCVRKFSA-N 388.596 4.381 0 1 GIAF CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3cccnc3)cc1)C2 38149881 GSZFEVMVIMZBDA-VWLOTQADSA-N 399.538 4.440 0 1 GIAF Cc1cccc2c1CC[C@]21CCc2c(C(=O)N(C)C)cn3c(C)c(C)nc3c2O1 40420212 FNMFHHBMZSWLCP-DEOSSOPVSA-N 389.499 4.128 0 1 GIAF O=C1NC[C@@H](c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCC1)CC2 40567871 ZCELQADAPOHGKO-NRFANRHFSA-N 396.481 4.340 0 1 GIAF Cc1cccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c1 64559010 UKXJAMQXIPOPOZ-UHFFFAOYSA-N 398.510 4.258 0 1 GIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCOc2cc(OC(F)(F)F)ccc21 66098928 CHVBTEZXWRYVOG-AWEZNQCLSA-N 392.337 4.107 0 1 GIAF O=C([C@H](F)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCC1 66112038 JDFFPGMJOIDJDF-QGZVFWFLSA-N 395.400 4.403 0 1 GIAF CCN(Cc1ccccc1)Cc1coc(-c2cc(OC)c(OC)c(OC)c2)n1 72101230 HQLCGYPZSPKBCS-UHFFFAOYSA-N 382.460 4.390 0 1 GIAF CCCc1nc2c(NCc3ccc(C)cc3)ncnc2n1CC[C@@H]1CCCN1C 82179369 MZMUSUWPXLBYQE-IBGZPJMESA-N 392.551 4.184 0 1 GIAF O=C(O)Cn1c(SCc2ccc(Br)cc2)nc2ccccc21 84654804 VKZMILAGNPLFMV-UHFFFAOYSA-N 377.263 4.176 0 1 GIAF CC(C)(C)OC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 98084502 NBHMWIWFTLXHNU-WSBQPABSSA-N 375.553 4.466 0 1 GIAF COc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)cc1OC(C)C 116230860 VHYSMIKRWYWVFI-UHFFFAOYSA-N 381.787 4.225 0 1 GIAF CN1c2ccccc2C(=O)N2CCn3c(cc4cc(Br)ccc43)[C@H]21 221952311 BCCZJNYODPKLAH-SFHVURJKSA-N 382.261 4.008 0 1 GIAF CSc1nc(Nc2cccc(O)c2)c2cnn(CCc3ccccc3)c2n1 299869511 UVACNPSFJYZFME-UHFFFAOYSA-N 377.473 4.240 0 1 GIAF C/C=C/COc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 473155164 PPMKSMQIVZKMOD-BDUNBXCCSA-N 379.456 4.131 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(C)ccnc3[nH]1)N2 587030576 FYRGWUOLSPEHDC-WBOGTDJTSA-N 385.518 4.393 0 1 GIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(Br)cc2[nH]1 587233294 MDFMPZBRYZXHFH-RYUDHWBXSA-N 380.286 4.486 0 1 GIAF O=C(Cc1ccccc1Cl)c1c(CO)oc2cc(Br)cnc12 587276216 KDNFINVSPUOTHX-UHFFFAOYSA-N 380.625 4.161 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C34CC5CC(CC(C5)C3)C4)n[nH]1)O2 587396653 NDUNJVNRNMWFAM-MNHKFAADSA-N 377.488 4.475 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)O2 587401690 WLCFPPRMZZOGRW-YADHBBJMSA-N 386.492 4.092 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4ccc(N)cc41)[C@@H](C2)C3=O 587434117 RKRDWKOCAWUNRA-UQBPGWFLSA-N 397.430 4.354 0 1 GIAF CCOC(=O)C[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523388 IRDQJSIIYZRGOP-XMMPIXPASA-N 394.467 4.388 0 1 GIAF Cc1nc(O)c(Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544481 DUDSAVNLWLMLNN-LAUBAEHRSA-N 397.814 4.332 0 1 GIAF COC(=O)c1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622419 MTVFLMVOHRRCKG-UHFFFAOYSA-N 388.196 4.399 0 1 GIAF O=C(CNc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657366 ZKXSLULPKOMZQS-UHFFFAOYSA-N 391.377 4.094 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2CCC(=O)O)N1 587829221 RCPPOVJFKNBOJZ-SUFBMKPHSA-N 384.289 4.373 0 1 GIAF COC(=O)c1ccsc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587848073 ZLGPRRYQCWUXMU-CLAHSXSESA-N 384.270 4.060 0 1 GIAF Cc1nc(N(C)C)sc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587855593 WVCKQMAKRINCHO-RMLUDKJBSA-N 384.318 4.043 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(C)cc2)[nH]n1 587872362 KIGAFFUGIPXHON-UHFFFAOYSA-N 390.418 4.475 0 1 GIAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1cc2c(s1)CCOC2 962701526 LHHIECLOBFVMSV-VBKZILBWSA-N 375.534 4.413 0 1 GIAF COc1c(Br)cncc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963093076 BEDXOPHJXSNMFB-SUMWQHHRSA-N 377.257 4.102 0 1 GIAF O=C(CCCN1CCCN(c2ccc(Cl)cn2)CC1)c1ccc(F)cc1 1857612610 KVGNSDMVYWRLTG-UHFFFAOYSA-N 375.875 4.049 0 1 GIAF Cc1ccc2nc(CO[C@@H]3CN(Cc4cn(C)c5ccccc45)C[C@@H]3F)[nH]c2c1 2356299477 IDCNSLDDQZDXCO-PGRDOPGGSA-N 392.478 4.102 0 1 GIAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CCOCC1 4310696 FRBYRNFNDRXJLT-RBUKOAKNSA-N 396.890 4.352 0 1 GIAF CC(C)(C)C(=O)Oc1coc(CSc2nc3ccccc3s2)cc1=O 103240504 LFQPSYVCDJPKQH-UHFFFAOYSA-N 375.471 4.493 0 1 GIAF O=C(CCCN1CCN([C@@H]2CCCc3ccccc32)CC1)c1ccc(F)cc1 22938691 JGHINESLHSSDOZ-HSZRJFAPSA-N 380.507 4.484 0 1 GIAF O=Cc1sccc1-c1ccc(-c2cc(=O)cc(N3CCOCC3)s2)cc1 101077065 YQFUHIPWIRZXSU-UHFFFAOYSA-N 383.494 4.153 0 1 GIAF CC1(C)CC(=O)[C@@H]2[C@@H](C1)Nc1ccnn1[C@H]2c1ccc(F)c(Br)c1 29246201 IWJQDBFMIKCNGT-COXVUDFISA-N 392.272 4.174 0 1 GIAF CN(CC[C@H]1CN(C)C(=S)c2cccnc2O1)Cc1ccc(C(C)(C)C)cc1 26279616 XJBVHMJFSVNXIB-IBGZPJMESA-N 397.588 4.270 0 1 GIAF Cc1c(S(=O)(=O)Nc2cccc(C(=O)O)n2)sc2ccc(C(C)C)cc12 114594620 DZFMVFQTXUKJGT-UHFFFAOYSA-N 390.486 4.227 0 1 GIAF COc1ccc(OC)c(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)c1 64245737 WZQBIUPICLCKJZ-SFHVURJKSA-N 398.459 4.009 0 1 GIAF NCc1c(N)nc(-c2cc(F)cc(F)c2)nc1-c1ccc(Cl)cc1Cl 38459587 OBQYWKZMJCPRLF-UHFFFAOYSA-N 381.213 4.437 0 1 GIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1ccccc1 79091424 DQJSMPMSGCZRKT-WOJBJXKFSA-N 391.467 4.398 0 1 GIAF CCN(Cc1coc(-c2ccc(O)cc2)n1)[C@@H]1CCN(Cc2ccccc2)C1 72103248 OWKSCGAYYNUYOA-OAQYLSRUSA-N 377.488 4.144 0 1 GIAF CC[C@H](C)NC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc(C)c1 82146073 RQJVAKKXEUZGIL-HNNXBMFYSA-N 378.476 4.494 0 1 GIAF CC(C)CN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1F 82151125 OUKGDXAWHNTNAJ-IAGOWNOFSA-N 398.526 4.493 0 1 GIAF Cc1c(-c2nc3ccccc3[nH]2)cc(C(C)(C)C)n1CCCN1CCOCC1 220810070 GQMUUOCEUHZZMO-UHFFFAOYSA-N 380.536 4.360 0 1 GIAF Cc1ccc(-n2ncc3c(N4CCC[C@H](C(F)(F)F)C4)ncnc32)c(C)c1 40847705 MPOUFYHFTBIYSO-AWEZNQCLSA-N 375.398 4.211 0 1 GIAF CCCOc1cccc(N2CC(Oc3ccc([C@H](C)NC(=O)N(C)C)cc3)C2)c1 142227209 RPZVHESTTAELFW-KRWDZBQOSA-N 397.519 4.075 0 1 GIAF O=S(=O)(CC[C@@](F)(Cl)C(F)(F)Cl)c1nc2ccccc2s1 299861447 LKTCTEGINIIJSQ-JTQLQIEISA-N 378.224 4.196 0 1 GIAF FC(F)(F)c1cnc2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 587005470 JINYBEOBQBBJOM-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(C[C@@H](C)O)c2)N1 587835465 XEYWXWLRVHCQNI-AVCJSFLBSA-N 378.285 4.135 0 1 GIAF CC(C)COc1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1Br 586892667 SZXYBOQXTFVMSX-QGZVFWFLSA-N 391.265 4.148 0 1 GIAF COc1cc(F)cc(OC)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566688 ALZOVJLFGHIORM-SIKLNZKXSA-N 396.370 4.251 0 1 GIAF COc1ccccc1-c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 587932570 QHOJRBZJYWDZND-UHFFFAOYSA-N 381.233 4.410 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H]1CC[C@]2(C)C1(C)C 587818349 QVMJKZYGOKAJNN-VLDUJYHDSA-N 380.301 4.343 0 1 GIAF COc1cc(F)c2c(c1)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587738148 KJJIXIWNJCLEQI-GIGQVBGESA-N 394.259 4.460 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(F)cnc3[nH]1)N2 587032451 SWWJYHIUYFZJTB-DKBJHAQFSA-N 389.481 4.224 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1cscn1)[C@@H](C2)C3=O 587453581 RJOIABPMNNCYCQ-KKSFZXQISA-N 379.437 4.219 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2C(C)(C)C)N1 587765217 RVPDJGOWFFALIT-MGPLVRAMSA-N 380.305 4.243 0 1 GIAF COc1ccc2cc(-c3ccc4c(O)nc(O)nc4n3)ccc2c1Br 587366145 KNWILZLGOFNFNI-UHFFFAOYSA-N 398.216 4.027 0 1 GIAF C[C@]1(c2cnn(-c3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582363 OTYVUNBMSYWYIX-ZJSXRUAMSA-N 398.418 4.455 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nnn(-c3cccc(Cl)c3)c1C)O2 587376932 DXMCEELYGOHTFE-HXUWFJFHSA-N 382.851 4.000 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C(C)(C)C)nc2)N1 587773843 KEQUEHGHDVATGG-QLJPJBMISA-N 378.289 4.299 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCCC3=O)cc1)CC2=O 587477367 XPLOQXCFSUCQID-QHCPKHFHSA-N 379.456 4.352 0 1 GIAF Cc1ccc2cc([C@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)c(Cl)nc2c1 963025090 JLJLIUZJRWMXCD-SZNDQCEHSA-N 377.875 4.339 0 1 GIAF COc1cc([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c(Br)cc1O 963103790 LOSRIQUKUNZUOP-DJJJIMSYSA-N 392.268 4.412 0 1 GIAF COC(=O)[C@@]1(c2ccc(Cl)cc2)c2ccsc2CCN1Cc1ccco1 962716229 YQIHPJKVRYXUQB-HXUWFJFHSA-N 387.888 4.469 0 1 GIAF COc1ccc([C@@H]2C=CCN(CC(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 18128133 FZDZRMOMSMXZRC-QHCPKHFHSA-N 396.506 4.432 0 3 GIAF O=C(N[C@H](c1ccccn1)C(F)(F)F)c1cccc(Cc2ccc(F)cc2)n1 207737946 WNVQEJBTNFMTNC-GOSISDBHSA-N 389.352 4.240 0 1 GIAF COc1ccc(-c2c(-c3cc(OC)c(SC)c(OC)c3)ncn2C)cc1O 1857632177 LCJAWSJJGBJFFF-UHFFFAOYSA-N 386.473 4.207 0 1 GIAF Cc1cc(-c2cncc(-n3ncc4ccc(NC(C)C)cc43)n2)ccc1C(=O)O 1857641461 BMXDCSMQHWMJCU-UHFFFAOYSA-N 387.443 4.309 0 1 GIAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(C3CCNCC3)noc2c1 3938228 UEWLDVUSFNQXKA-UHFFFAOYSA-N 375.472 4.162 0 1 GIAF OCCN1CCN([C@@H]2C[C@@H](c3ccc(Cl)cc3)c3ccc(Cl)cc32)CC1 28008633 VZFLXULHCQDZCW-PZJWPPBQSA-N 391.342 4.180 0 1 GIAF COc1ccc(C[C@H]2c3cccc(Br)c3CCN2C)cc1OC 28460992 CIBHOXXTDABFSQ-KRWDZBQOSA-N 376.294 4.238 0 1 GIAF COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@](C)(/C=C/c1ccccc1)N2 28529380 FOEGPJQZDBTZHI-DGSRBQDKSA-N 375.428 4.277 0 1 GIAF COC(=O)c1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1 40431116 MEJLXFKXHDIKGE-UHFFFAOYSA-N 392.405 4.045 0 1 GIAF CCCCN1C(=O)O[C@H](COC(=O)Cc2ccccc2)[C@H]1Cc1ccccc1 40567130 WJXOVQRMXKHKIP-NHCUHLMSSA-N 381.472 4.005 0 1 GIAF CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@](O)(c3ccccc3)CC2)cc1 43016886 ICDJUCYBESEOJP-JOCHJYFZSA-N 387.545 4.047 0 1 GIAF CC(C)=CC[C@]12CCN(C)[C@H]1N(S(=O)(=O)c1ccccc1)c1ccccc12 73242248 HODDMWCQFNLOHF-FCHUYYIVSA-N 382.529 4.151 0 1 GIAF N[C@H]1CCC[C@@H](N(CC2CC2)C(=O)c2ccccc2OCc2ccccc2)C1 96286344 PGNJTIQVTXQOSC-LEWJYISDSA-N 378.516 4.388 0 1 GIAF Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4ccccn4)cn3)cc2C)ccn1 116941753 YCXIDNDPJQCJSR-UHFFFAOYSA-N 395.466 4.399 0 1 GIAF COC(=O)N1C2=C(c3ccccc3[C@H]1CC(=O)O)[C@@H]1O[C@@H](C2)c2ccccc21 169299233 GLKGSBGQSUVJBZ-PLMTUMEDSA-N 377.396 4.212 0 1 GIAF O=C1C[C@H](Sc2ccccc2C(F)(F)F)N1C(=O)NCc1ccccc1 299855223 ASEVRAGBGQBKND-INIZCTEOSA-N 380.391 4.266 0 1 GIAF COc1ccc(C=O)c2cc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)oc12 586904184 RZYMAXGANFOPMN-UHFFFAOYSA-N 376.347 4.122 0 1 GIAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 586940566 AILSCAODQCQKAL-SREVYHEPSA-N 396.299 4.268 0 1 GIAF COc1cncc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586958605 GVPCQJDSVONJNZ-HHHXNRCGSA-N 377.469 4.005 0 1 GIAF CCCCOc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1Br 586959683 PGHDLUNSHZKADW-JOCHJYFZSA-N 385.327 4.163 0 1 GIAF CC(=O)c1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586997092 ATBIUTOSKRXCOD-HYXAFXHYSA-N 385.217 4.427 0 1 GIAF N[C@H](c1ccsc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587024657 DKBDWFNPBFGDPK-LLVKDONJSA-N 392.200 4.334 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(F)cnc3[nH]1)N2 587032453 SWWJYHIUYFZJTB-TZZQWBKVSA-N 389.481 4.224 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3c(cc2[nH]1)OCCCO3 587080229 NWHNAEYUKKIAKV-AWEZNQCLSA-N 382.851 4.101 0 1 GIAF Fc1cc(-c2nc3ccc(F)c(Br)c3[nH]2)cc(N2CCCC2)n1 587177599 PNTFEBWHPZEREV-UHFFFAOYSA-N 379.208 4.266 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 587206348 LGEIYTOSWMMENQ-HNNXBMFYSA-N 379.357 4.449 0 1 GIAF COc1ccc(-c2nnc(-c3ccc4nc(-c5cccc(CN)c5)[nH]c4c3)o2)cc1 587247374 ZWDIAYUZYFNGLX-UHFFFAOYSA-N 397.438 4.414 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3cccc(Cl)c3Cl)nn1)O2 587378735 PIGJRPXAWIESGQ-MRXNPFEDSA-N 389.242 4.171 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)C3(CCC3)C1)O2 587398025 DJQXOTCYHIJFID-QFIPXVFZSA-N 386.492 4.235 0 1 GIAF CCCc1ccc([C@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447123 LTUQPFKBZGMFFN-JPYJTQIMSA-N 380.440 4.155 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1cccc(F)c1)(C1CCNCC1)CC2=O 587465792 GTHAJTLHGRTCSR-QHCPKHFHSA-N 383.463 4.344 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1cccnc1N)CC2=O 587469149 WZONBUGXJAGEPN-QHCPKHFHSA-N 392.430 4.370 0 1 GIAF COc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587507787 SUHJXATZBTUOKO-QHCPKHFHSA-N 398.430 4.439 0 1 GIAF O=C(O)/C=C/c1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600777 BJVNKJCSUMVQGQ-COPMYHSASA-N 388.375 4.193 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(c3ccc(F)cc3)C2)N1 587733010 NJCFKHVQWPVUKJ-BUXKBTBVSA-N 393.275 4.367 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3nn(C)cc23)N1 587761139 SLYVBYOTXZQKRJ-JEOXALJRSA-N 388.284 4.273 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3cnn(C)c23)N1 587762648 ZASPAMDYTVOFRQ-JEOXALJRSA-N 388.284 4.273 0 1 GIAF COCC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587789480 CIQGTHGQJSSDGO-BFUOFWGJSA-N 378.285 4.403 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)O)s2)N1 587848593 OMDYFXNVRWCQOC-ZKANADHPSA-N 384.270 4.146 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)N1CCSCC1 587861419 PBBZPCNKZXHXJG-UHFFFAOYSA-N 386.304 4.273 0 1 GIAF CON/C=C\[C@]1(c2ccc(OC)cc2)NCCc2cccc(-c3ccccc3)c21 962667519 OKLHVIVBRHBCRY-YOBSFCNSSA-N 386.495 4.416 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](C2(CN3CCOCC3)CCCCC2)N1 962953853 WLXJSHNZELMQIT-JPYJTQIMSA-N 381.564 4.416 0 1 GIAF O=C(c1cccs1)[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963646 YHUPSJKMUPIEKR-INIZCTEOSA-N 381.419 4.342 0 1 GIAF COc1cc(Br)cc(OC)c1[C@@H]1NCCc2c1sc(C)c2C 963014580 IZDXUUBKCXODHI-INIZCTEOSA-N 382.323 4.380 0 1 GIAF COc1ccc([C@H](O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1 1857635785 TZHCBZUVWUYUEY-JOCHJYFZSA-N 399.531 4.283 0 1 GIAF CC(=O)OC[C@H](CCO)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C(=O)O)=CCC[C@@H]21 2356448044 NHICXBFHDXVLOW-RMZFIQPQSA-N 380.525 4.192 0 1 GIAF CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3csc(C(C)=O)c3)C2)cc1 12456303 ZILYISQGCVBUAI-OAHLLOKOSA-N 387.526 4.408 0 3 GIAF COc1cc(-c2cc3nc(NCc4cccs4)ccn3n2)cc(OC)c1OC 61897995 IADOSNHKBSRWHP-UHFFFAOYSA-N 396.472 4.096 0 3 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CCCC[C@@H]1C[C@H]3O 2356346813 ZHCAAZIHTDCFJX-HXMDEBKBSA-N 392.580 4.478 0 1 GIAF OC[C@@H]1O[C@H](c2ccc3c(c2)OCO3)C=C[C@@H]1Oc1cc(Cl)cc(Cl)c1 7992644 JONOAXKZHQFNEU-IEZWGBDMSA-N 395.238 4.158 0 1 GIAF C[S@@](=O)c1ccc(-n2nc(-c3ccncc3)c(-c3ccc(F)cc3)c2O)cc1 100033043 NHKBJUGZERGSJU-NDEPHWFRSA-N 393.443 4.183 0 1 GIAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(Cl)cc1)C2 102079809 ZCXLVQYDLLUFKR-WOIUINJBSA-N 399.918 4.499 0 1 GIAF CCN(CC)C(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCCC2 62154032 BIDMZJITKZEDDV-UHFFFAOYSA-N 376.547 4.352 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2cncc3ccccc23)c(OC(F)(F)F)c1 114029334 QORZFOABUPIAMZ-UHFFFAOYSA-N 382.363 4.172 0 1 GIAF CCN(CC)CCCNC(=O)c1cc2cccc(OCc3ccccc3)c2[nH]1 27749049 JWRNPKZJYJVUFI-UHFFFAOYSA-N 379.504 4.209 0 1 GIAF CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4n3CCC4)nn12 63539257 BJJHHKOPTKQUFQ-UHFFFAOYSA-N 380.402 4.003 0 1 GIAF C[C@]1(C(=O)Nc2cnc3ccccc3c2)CCN1Cc1ccccc1OC(F)F 61928970 MHGVKGAUUDUCAV-JOCHJYFZSA-N 397.425 4.439 0 3 GIAF CCC[C@H](Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1 36348962 YSOVXPTZPIBWGX-NSHDSACASA-N 398.941 4.280 0 1 GIAF O=c1c(Cn2ccnc2)c(-c2ccc(Br)cc2)oc2ccccc12 36088223 VPZRWXUJDQPWSY-UHFFFAOYSA-N 381.229 4.467 0 1 GIAF in-vivo CC1=C(C(=O)N2CCCC2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 40875369 KBBPFRQLSDBMAH-KRWDZBQOSA-N 377.275 4.101 0 1 GIAF CN1C[C@](O)(c2ccc(-c3nc4ccccc4s3)cc2)O[C@H]2CCCC[C@@H]21 40873884 MQFQMFCHONDGDU-CNNODRBYSA-N 380.513 4.382 0 1 GIAF CC(=O)NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1 40919279 PSVCSILLBNBXNX-UHFFFAOYSA-N 395.528 4.232 0 1 GIAF C/C=C(/C)OC(=O)[C@H](c1cc(OC)c2c(c1)OCO2)[C@@H](C)C(=O)O/C(C)=C\C 238747362 DLOGZYOXRJGVDW-SZJRRGNISA-N 390.432 4.077 0 1 GIAF CCOC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1C 473145140 KRYMXUQXTLPQFY-UHFFFAOYSA-N 383.404 4.316 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(-c3ccccc3)n2)N1 587766246 UZCDUBKXPLQYJM-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF COc1cccc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c1 587623356 QWTBCDPQSQPEPH-UHFFFAOYSA-N 399.248 4.376 0 1 GIAF Cc1ccc2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 587588739 RYLKJWVXXMGVSY-CVDCTZTESA-N 386.407 4.360 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn2cc(Cl)ccc2n1 587552519 SCAAMKIMVJMOAY-NQIIRXRSSA-N 392.798 4.396 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2n[nH]c(Cl)c2c1 587552266 PGTUROVIBURWMR-MAUKXSAKSA-N 393.786 4.020 0 1 GIAF C[C@]1(c2cn(CC(=O)O)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587517023 ZHBXJASUPCKAOA-XMMPIXPASA-N 389.451 4.485 0 1 GIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c1 587242575 WMZAIPABZVIYCF-INIZCTEOSA-N 383.408 4.006 0 1 GIAF Cc1cc(Br)c2[nH]c(CNC(=O)c3cc4c(s3)CCC4)nc2c1 587035471 UNLIINVVILLVAB-UHFFFAOYSA-N 390.306 4.114 0 1 GIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1O 587545173 OGJZOZQFPGFMGA-UWJYYQICSA-N 398.798 4.463 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(OCc1ccccc1)C2 587602158 WZYGSWTYKQDJHK-LBVATQBMSA-N 388.419 4.472 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cncc(C)c3[nH]1)N2 587033001 WWTLFIIKXOEQAK-NUBYWOLOSA-N 385.518 4.393 0 1 GIAF COc1cc(Cl)cc(C=O)c1OCc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587064549 CCKUWXNHQBWIDP-UHFFFAOYSA-N 388.704 4.173 0 1 GIAF O=[S@@](CCCc1nc2ccnc(Cl)c2[nH]1)c1ccc(Br)cc1 586959148 IWMWVXMKSKMRGO-QFIPXVFZSA-N 398.713 4.114 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-n2cccn2)N1 587758821 JNPIDJVHCPHMJI-BLVKFPJESA-N 386.268 4.398 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)F)c(OC(F)F)c1)[C@@H](C2)C3=O 587420386 FZTBPPWUJTYJDO-APPDUMDISA-N 398.308 4.387 0 1 GIAF COc1cccc(-c2ccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c(Cl)c2)c1 587052019 JXRSIKNFHAFEFE-UHFFFAOYSA-N 386.242 4.366 0 1 GIAF COc1ccc2c(c1)OCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607117 GDTVOEPJLPBKDW-NZQKXSOJSA-N 390.391 4.040 0 1 GIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c[nH]1 587061801 ZGDYNQBXEPHNOJ-UHFFFAOYSA-N 391.649 4.455 0 1 GIAF COc1cncc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587025959 JJIZAEPBWFXZAI-OIISXLGYSA-N 396.516 4.103 0 1 GIAF CC(C)CCOc1cc2[nH]c(/C=C/C=C/C(=O)O)nc2cc1Br 587965555 MWKYSVWYSIVDEX-GGWOSOGESA-N 379.254 4.404 0 1 GIAF CN(C)C(=O)Oc1ccccc1[C@H]1c2ccsc2CCN1Cc1cccn1C 962397092 JHXLULCYPKEDSH-NRFANRHFSA-N 395.528 4.295 0 1 GIAF Cn1ncc2cccc([C@]3(C)c4cccc(F)c4CCN3[C@H]3CCSC3)c21 962711031 PHWQPUUMKLURAB-AOMKIAJQSA-N 381.520 4.340 0 1 GIAF O=C(NCC[C@H]1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1F 13525944 BPDSAOLEAPWKQE-SFHVURJKSA-N 387.458 4.277 0 1 GIAF O=c1n(-c2ccc(Cl)cc2)nc2c(NC3CCCCC3)nc3ccccc3n12 13672076 NRFQPBASKWHNSO-UHFFFAOYSA-N 393.878 4.431 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(OCCF)c1 167102731 MWNFJPWQSWLDKS-MAUKXSAKSA-N 387.451 4.162 0 1 GIAF Cc1cc(N2CC[C@@]3(CCN([C@H](C)c4cc5ccccc5n4C)C3)C2)nc(C)n1 1857562792 GJHZMSUVYCJCRY-HOYKHHGWSA-N 389.547 4.249 0 1 GIAF CC(C)(C)c1ccc(-c2cn(C[C@@H]3Cc4c([nH]c5ccccc45)CN3)nn2)cc1 1857566327 QFHZOYVCLJLRSO-SFHVURJKSA-N 385.515 4.438 0 1 GIAF COc1cc2c(cc1-n1cnc3ccc(-c4ccnc5[nH]ccc45)cc31)CNC2 1857755450 RFUHKEPWGZUNBG-UHFFFAOYSA-N 381.439 4.181 0 1 GIAF Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)Nc3cc(C)on3)sc2n1 753906 ZVCXGUWQPMLCDU-UHFFFAOYSA-N 385.493 4.093 0 1 GIAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](CO)[C@H](C)CC)cc1 775672 XJZOWDDNTIIMFO-RHSMWYFYSA-N 388.508 4.175 0 1 GIAF CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccs2)[C@H]1c1cccs1 2455936 JDXKXJACMISRID-ZWKOTPCHSA-N 382.510 4.037 0 1 GIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214642 OUAMMVPUGWXLEZ-QXCFHYIPSA-N 378.538 4.182 0 1 GIAF CCC(=O)Oc1c2c(c(COC(=O)C(C)C)c3c(C)coc13)[C@@H](C)C[C@H](O)C2 13300465 CDUOHYMZUNXCQA-JSGCOSHPSA-N 388.460 4.166 0 1 GIAF biogenic Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)c3ccccc32)cc1 13757937 QYUYRRRSQOTZRY-UHFFFAOYSA-N 385.467 4.344 0 1 GIAF COc1c(O)c(CC=C(C)C)cc2c1OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4 14613155 DFYMDQGSLUSMGL-FOIQADDNSA-N 382.412 4.248 0 1 GIAF biogenic CCCCCCN(Cc1c[nH]cn1)S(=O)(=O)c1ccc(OCCCC)cc1 26274750 RQOAOPFNCBHMIG-UHFFFAOYSA-N 393.553 4.360 0 1 GIAF CN(C(=O)COc1cccc(Cl)c1Cl)[C@H]1CCCC[C@@H]1N1CCCC1 26836594 STNKEHPJTIYUAI-HOTGVXAUSA-N 385.335 4.238 0 1 GIAF O=C1OC2(CCN(CCc3c[nH]c4ccccc34)CC2)CN1Cc1ccccc1 28761520 QGNIYVXDSVFRPM-UHFFFAOYSA-N 389.499 4.197 0 1 GIAF O=C(Oc1cc2ccc(=O)oc2cc1OC(=O)c1ccccc1)c1ccccc1 34525990 QBDISGMDJVZAKB-UHFFFAOYSA-N 386.359 4.231 0 1 GIAF O=C1Nc2ccccc2C(=O)[C@@H]2C[C@@H](c3ccccc3)[C@](O)(c3ccccc3)[C@@H]12 40764129 RSQNUCNWLBOTNV-BVVSVSJTSA-N 383.447 4.129 0 1 GIAF CCO[C@]12C=C[C@@]3(C[C@@H]1C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 49110558 WODXETJFEXXYQL-AEXPAKOBSA-N 395.543 4.049 0 1 GIAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1C[C@H](O)CN1C(=O)c1nccs1 72176834 XNSZTLNSVWTRSI-YJBOKZPZSA-N 399.903 4.115 0 1 GIAF CSc1nc(Cl)cc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)n1 73157194 FGKLOLHFTQCZNI-ZDUSSCGKSA-N 390.292 4.423 0 1 GIAF NC(=O)c1ccc2c(c1)[C@H](NCCc1ccccc1F)CC1(CCCCC1)O2 82185395 ZYGOQHWXSMUSKH-HXUWFJFHSA-N 382.479 4.283 0 1 GIAF O=C(OCCCF)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1cccc(/C=C\Br)c1)N2 101174747 VKZWZSZGPDLBNV-IPDKRFFSSA-N 396.300 4.179 0 1 GIAF CCN1[C@@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccccc4)cc13)C2 101471522 UTRZRTWCKQEHFM-FOIQADDNSA-N 380.513 4.093 0 1 GIAF O=C(c1cc(C(F)(F)F)n[nH]1)N(Cc1cccc2[nH]ccc12)CC1CCC1 103232639 NQUZMHMIMQODLB-UHFFFAOYSA-N 376.382 4.352 0 1 GIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 104076652 BFAOBYWANQEMPL-BTYIYWSLSA-N 396.487 4.248 0 1 GIAF O=C(Nc1ccc(C(F)(F)F)cn1)N1CC=C(c2ncccc2Cl)CC1 141074730 NHQIAAQHUFFKHK-UHFFFAOYSA-N 382.773 4.470 0 1 GIAF Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Nc2ccncc2F)s1 142665703 IRLDBYVLSNVEPT-UHFFFAOYSA-N 385.449 4.059 0 1 GIAF Cc1cccc(C(=O)N[C@@]23CCC[C@@](NC(=O)c4cccc(Cl)c4)(CC2)C3)n1 169710845 IJPARVQEYUOEFX-YADHBBJMSA-N 397.906 4.049 0 1 GIAF Cc1ccc(N2CCc3ncnc(NCc4ccc(Cl)cc4F)c3C2)nc1 202610226 SKGABDFKBKMREL-UHFFFAOYSA-N 383.858 4.147 0 1 GIAF CCC(=O)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(/C=C/I)cc1)N2 253693704 ZSIIPJGEQMLBAQ-JZYFZANXSA-N 395.284 4.296 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3cnc(C)c(Br)c3C)[nH]c2c1 586979576 QBVUTTLCXROZCE-UHFFFAOYSA-N 388.265 4.110 0 1 GIAF Brc1ccc2cc(-c3nc4cncc(Br)c4[nH]3)cn2c1 587006527 PEDKPVIRDTWWKP-UHFFFAOYSA-N 392.054 4.403 0 1 GIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C(N)=O)c2[nH]1 587033737 AGHYUIBZEVUQQX-OAHLLOKOSA-N 392.484 4.148 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(Cl)ncnc3[nH]2)c1 587147123 HNTGOIZAUFXMJU-UHFFFAOYSA-N 398.781 4.186 0 1 GIAF CCn1cc([C@]2(CC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587344196 WIMARBLUFCSPNJ-UNMCSNQZSA-N 380.419 4.412 0 1 GIAF C[C@@H]1CCCN(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 587347213 UBUDUEFLUSHARH-LDLFBNOTSA-N 383.463 4.381 0 1 GIAF C[C@@H]1CCCN(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 587347215 UBUDUEFLUSHARH-XFEVJDRUSA-N 383.463 4.381 0 1 GIAF CC(=O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354172 NJHHCOSYWPKBLO-FYYLOGMGSA-N 376.383 4.375 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cccnc1NC(=O)C(C)(C)C)CC2=O 587472195 YSCQMSFINVOKJH-SFHVURJKSA-N 382.460 4.431 0 1 GIAF Cn1ccc([C@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587503281 DRRCUDKQJWXWGT-HSZRJFAPSA-N 376.431 4.347 0 1 GIAF CCOC(=O)COc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587520467 CCMGDPJDRMGQTP-DEOSSOPVSA-N 394.467 4.388 0 1 GIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1Cl 587548517 WWKHTJRDJKRCFG-IIBYNOLFSA-N 398.798 4.463 0 1 GIAF COc1c(F)ccc(F)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557319 MSHYWYQYNWFQJB-DYESRHJHSA-N 384.334 4.382 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)c3ccccc23)N1 587771073 BEPPRHKEIDLICQ-YPMLDQLKSA-N 387.252 4.466 0 1 GIAF CC(C)N1C[C@@H]2CCC[C@@H](C1)C21N[C@H](C)Cc2ccc(F)c(Br)c21 587773696 KOANFVQVTGEKAI-KBMXLJTQSA-N 395.360 4.458 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc4c(cc32)OCO4)N1 587838780 PCGAOZYUPRWIJC-DGIBIBHMSA-N 390.252 4.041 0 1 GIAF Cc1ccccc1OCn1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)n1 587876883 XUQHGYGKBRYWHO-UHFFFAOYSA-N 390.374 4.025 0 1 GIAF CCOC(=O)Cc1ccc2nc(C[C@@]3(CC)CC(=O)c4ccccc4C3)[nH]c2c1 587960588 MMELHPFQZLYQCB-XMMPIXPASA-N 390.483 4.437 0 1 GIAF CCOC(=O)CCCCC[C@]1(c2ccsc2)NCCc2nc3ccccn3c21 962982788 KMYGDNUCEOSOSC-JOCHJYFZSA-N 397.544 4.299 0 1 GIAF COc1cc(C)cc(OC)c1[C@@H]1c2cccc(Br)c2CCN1C 963278998 DPKYNAXFAKAFRF-IBGZPJMESA-N 376.294 4.352 0 1 GIAF O=C(O)c1ccc(CNC(=O)c2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc1 1772638083 KDDSLVFEAIBQQK-UHFFFAOYSA-N 391.267 4.352 0 1 GIAF CC(C)(C)OC(=O)COc1nc(SCc2ccc(F)cc2)nc2c1CCC2 1857761206 MQKSZHJFFMJGCB-UHFFFAOYSA-N 390.480 4.117 0 1 GIAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC[C@@H]1[C@@]2(C)CC[C@@H](O)[C@@]1(C)CO2 2356478408 CTQYKKGZEKTFJL-SGKWCMOWSA-N 398.499 4.464 0 1 GIAF COc1ccc2c(c1)CN(C(=O)C(C)C)N=C2Cc1c(Cl)cncc1Cl 13436006 XBCOPPJJOUTQEB-UHFFFAOYSA-N 392.286 4.342 0 1 GIAF NC(=O)c1cc2c(Oc3ccc(CO[C@H]4CCCCO4)cc3)cncc2s1 13864443 KCKRKRQSCSVZSK-IBGZPJMESA-N 384.457 4.231 0 1 GIAF Cc1ccc(C[C@H](N)[C@@H]2c3[nH]c4ccc(Br)cc4c3CCN2C)cc1 22941653 FHPDHCCEDGUNMX-GHTZIAJQSA-N 398.348 4.338 0 1 GIAF biogenic Fc1ccc(-c2nc(CN3CCN(C/C=C/c4ccccc4)CC3)co2)cc1 72101078 DMMZUUYCROCNIO-QPJJXVBHSA-N 377.463 4.312 0 1 GIAF CCCN(CCC)C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 73196728 YAMXCOQSQFKDFW-OAQYLSRUSA-N 383.532 4.364 0 1 GIAF NC1CCC(Nc2nccc3[nH]c(-c4cccc(C(F)(F)F)c4)nc23)CC1 82082240 WICXTQWXDVBIFY-UHFFFAOYSA-N 375.398 4.326 0 1 GIAF CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1F 82151121 OUKGDXAWHNTNAJ-IRXDYDNUSA-N 398.526 4.493 0 1 GIAF CCN(C)Cc1ccc2c(c1)C[C@H](N(C)C(=O)c1ccc(OCC3CC3)cc1)C2 96174221 WRYQLFIJDRJXLF-HSZRJFAPSA-N 392.543 4.167 0 1 GIAF COc1ccccc1-c1ccc([C@@H]2[C@H]3CN(Cc4cccc(F)c4)C[C@@H]2N3)cc1 100109284 KQECXYVMHINSBB-YXFZHOHLSA-N 388.486 4.441 0 1 GIAF COc1cc2c(cc1OC)[S@@](C)(=O)=NC(N1CCC(c3ccccc3)CC1)=N2 101761970 LGEDQAMIRJFGAA-MUUNZHRXSA-N 399.516 4.041 0 1 GIAF COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NC3CC3)nc12 113651641 JFKRMJRQGVELFG-UHFFFAOYSA-N 391.456 4.075 0 1 GIAF CC(C)C[C@H](C)N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2 114765034 QEPASHISBZBMLE-WNRNVDISSA-N 397.519 4.087 0 1 GIAF COCCOc1ccc(-c2nnc(S)n2-c2cccc3ccccc23)c(O)c1 115807458 OZASOSPCYINUQC-UHFFFAOYSA-N 393.468 4.107 0 1 GIAF CCOC(=O)COCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1 144818065 VGGWQMVERJCXME-LJQANCHMSA-N 381.516 4.460 0 1 GIAF COc1cccc(Nc2nccc([C@H]3C(c4ccccc4)=NN4C=CC=C[C@@H]34)n2)c1 169720371 TUPCJYGCAPLRDO-FCHUYYIVSA-N 395.466 4.484 0 1 GIAF CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1 261089866 DIRKDNYXNPECEK-QAQDUYKDSA-N 398.378 4.200 0 1 GIAF N[C@@H](c1ccsc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587025745 PTNGBQFFKLGOEF-NSHDSACASA-N 376.201 4.454 0 1 GIAF COc1cc(-c2nc3ccc(C)nc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143301 AMOAIJKUPSASPQ-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF COc1ccc(C(=O)c2ccccc2-c2nc3ccnc(OC)c3[nH]2)cc1F 587144170 ITXQRIJSBQVPRN-UHFFFAOYSA-N 377.375 4.012 0 1 GIAF CSc1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2c1 587181855 GBUQZHUQUZAULQ-SECBINFHSA-N 398.273 4.004 0 1 GIAF CSc1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587197495 PPXWMUPQZSRUCH-ZDUSSCGKSA-N 377.510 4.201 0 1 GIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cncc(Br)c2[nH]1 587201913 YVDORPQQRUNNAJ-UHFFFAOYSA-N 397.317 4.301 0 1 GIAF COC(=O)Nc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cn1 587245794 XZDBJZSNZFSCAH-UHFFFAOYSA-N 381.617 4.219 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](COC(=O)c1ccccc1F)(C(C)(C)C)O2 587384832 JJQNCSSVTHOTNQ-QFIPXVFZSA-N 385.435 4.323 0 1 GIAF C[C@@]1(CC(=O)Nc2ccc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587503828 ZLCXPWNTSYCSCR-NRFANRHFSA-N 384.863 4.367 0 1 GIAF O=C(O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 587542019 HGKJWPQGIQKCLF-PXNSSMCTSA-N 396.782 4.447 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccccc3OC2)N1 587836419 UMTBNAOUCUJZDK-CWTRNNRKSA-N 376.269 4.343 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(CC(=O)O)cs2)N1 587848301 NNRVSGYTVFCGGV-XLFHBGCDSA-N 398.297 4.075 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nsnc23)N1 587854480 BZWXTYYMZSGGQY-BCTVWOGZSA-N 378.270 4.217 0 1 GIAF O=C(COc1cccc(Br)c1)n1nc2cc1Oc1ccc(F)cc1-2 587872484 LULNDBQRRVMVEP-UHFFFAOYSA-N 389.180 4.277 0 1 GIAF Cc1ccccc1CN1CCC(C(=O)NCCc2c[nH]c3ccccc23)CC1 653891187 VQNHLBHTNLUGAW-UHFFFAOYSA-N 375.516 4.047 0 1 GIAF CC(C)c1nn(C)c2c1[C@@](C)(CC(=O)Nc1cc(Cl)ccc1Cl)NCC2 962919499 PIMWIAQKJIQLDW-LJQANCHMSA-N 395.334 4.240 0 1 GIAF Cc1c(Br)ccc2c([C@@H]3NCCc4c3c(C(C)C)nn4C)c[nH]c12 962920369 MQRALRTWZSAUFT-IBGZPJMESA-N 387.325 4.331 0 1 GIAF Cc1ccc([C@@]2(c3ccc(O)cc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963021437 GBQULBRAWJOHRM-NSYGIPOTSA-N 384.479 4.046 0 1 GIAF Cc1cn2c(cc(C)c3c(N)c(C(=O)N[C@H]4CCc5ccccc54)sc32)n1 1857544707 DWCBPLUJEUVMFM-HNNXBMFYSA-N 376.485 4.165 0 1 GIAF CC[C@H](C)C(=O)O[C@@H]1CCC[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@@H]21 2356520006 VXDSGTRNDFHIJB-UUCIAZDESA-N 392.536 4.029 0 1 GIAF Cc1ccc(CN2C(=O)C(C)(C)Oc3ccc(C(=O)N4CCCCC4)cc32)cc1 6552266 NPAXXJJPBNRZOP-UHFFFAOYSA-N 392.499 4.325 0 3 GIAF O=C(N[C@H](C(=O)O)c1ccccc1)c1cccc(-c2cc3ccccc3oc2=O)c1 8518464 ILQKVDFJKSGVRJ-NRFANRHFSA-N 399.402 4.016 0 1 GIAF biogenic CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2[C@H](OC(=O)c2ccc3c(c2)OCO3)C1 13432188 BQGTYCZFWMVNFB-PRTQVNTJSA-N 386.488 4.484 0 1 GIAF biogenic O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccs2)ccc1=O 25434755 PXZPJWRQTHPEAL-CVEARBPZSA-N 391.496 4.228 0 1 GIAF biogenic C[C@H]1CCC[C@]1(Oc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1)C(=O)O 27525329 HDYARACYWFANNM-UPCLLVRISA-N 393.483 4.379 0 1 GIAF O=C(O)C[C@H](Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1 28648062 BNTMUQHWJSORQO-FQEVSTJZSA-N 391.471 4.159 0 1 GIAF O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2cc(Br)ccc21 28711828 ABBFMWWAEOPKLV-UHFFFAOYSA-N 384.151 4.197 0 1 GIAF CCOc1cc2c(cc1O)CC[n+]1cc3cc(OCC)c(OCC)cc3cc1-2 59587887 WXPUYAGZQRNSQF-UHFFFAOYSA-O 380.464 4.252 0 1 GIAF biogenic,in-vitro Cc1ccccc1/C=C1\CN(C)CC2=C1NC(=S)N[C@@H]2c1ccccc1C 71333857 VCKGPSLFLGLOAS-YGYUYSJASA-N 375.541 4.105 0 1 GIAF CC1(C)C[C@@H](NC(=S)Nc2ccc(Cl)cc2)c2cc(NC=O)ccc2O1 72175292 FNICWSNJPOVFQA-MRXNPFEDSA-N 389.908 4.497 0 1 GIAF O[C@@H](CCN1CCC(O)(Cc2ccccc2)CC1)c1csc2ccccc12 84652238 SSEWYSOPUMSOTB-NRFANRHFSA-N 381.541 4.394 0 1 GIAF COc1ccc(F)c(-c2c3c(nc4sc(C(N)=O)c(N)c24)CCCCCC3)c1 95539355 RQNWGWGBJQVCKD-UHFFFAOYSA-N 399.491 4.451 0 1 GIAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCn4cccn4)cc3)cc12 205299431 LHXQQARKHXKMEH-UHFFFAOYSA-N 381.819 4.462 0 1 GIAF COC(=O)c1cc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)cn1C 586987290 MQONRORULFBVNO-UHFFFAOYSA-N 398.418 4.252 0 1 GIAF FC(F)(F)Oc1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005644 OCCPNXAZEAWQCA-UHFFFAOYSA-N 393.550 4.334 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)C(F)(F)F)n1 587094399 RGMNVUXIMVLBMH-LBPRGKRZSA-N 397.209 4.022 0 1 GIAF Cc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1C 587119032 UHJYYGDUKBXOKP-UHFFFAOYSA-N 387.203 4.400 0 1 GIAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(F)cc(C)cc2[nH]1 587181127 NCLBTBQZBWAMAD-SECBINFHSA-N 398.223 4.450 0 1 GIAF COC(=O)c1cc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2cn1 587195875 MGEJTJZVHADYMH-UHFFFAOYSA-N 396.447 4.091 0 1 GIAF C[C@@]1(c2cc(Cl)ncn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334843 ZJEWQGPLYFLLNO-ICSRJNTNSA-N 384.794 4.249 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(COc1ccc3c(C)c(C)c(=O)oc3c1)O2 587410566 YGXMPITWBLBRLM-QHCPKHFHSA-N 393.439 4.103 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)cc1Br)[C@@H](C2)C3=O 587427835 WFXJMQGUCDFUID-UGSOOPFHSA-N 377.209 4.260 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OCc3ccccc3)C1)CC2=O 587480982 XFHDZBHVKRCBFS-HSZRJFAPSA-N 395.455 4.091 0 1 GIAF COc1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587558432 SFMDJZWAWBABNK-NQIIRXRSSA-N 384.334 4.382 0 1 GIAF COc1cc2c(cc1F)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572306 RTFNGGSSIHMQII-REWPJTCUSA-N 392.382 4.343 0 1 GIAF CCOC(=O)[C@H](CC)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592616 BDGVGPGSGHWOED-XKDCRVNJSA-N 398.455 4.338 0 1 GIAF O=C(c1cc2c(s1)-c1ccccc1OC2)n1ncc2ccc(Cl)cc2c1=O 587653428 HJCCFGDKAHTKJZ-UHFFFAOYSA-N 394.839 4.359 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cccn2)(C(C)(C)C)N1 587756344 DCDUWZPGSJQKCE-SGTLLEGYSA-N 380.305 4.261 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccccc3)c2)N1 587761417 UFVFTMLVZAUWNG-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF Cc1nc2ccccc2nc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587780300 ZYCOVSAXTCKSFF-DGIBIBHMSA-N 386.268 4.463 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@H](c3ccco3)C2)N1 587831022 VGEINMNJDYDCSB-RGIROJJOSA-N 392.268 4.448 0 1 GIAF COc1cccc(C(=O)c2ccc(-c3nc4cc([C@H](N)N=O)ccc4[nH]3)cc2)c1 587931094 FTCJSGGETBSUMT-OAQYLSRUSA-N 386.411 4.193 0 1 GIAF FC(F)(F)c1cccc(-n2ncc3c(NCCc4ccccc4)ncnc32)c1 621477761 ZQCXXIABYQDRAM-UHFFFAOYSA-N 383.377 4.489 0 1 GIAF CC(C)CCOC(=O)[C@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962639288 PYQNLRVCBVGIQR-DHLKQENFSA-N 392.543 4.238 0 1 GIAF CCOc1cccc([C@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962697080 KWBXBYKYIWNRJS-HKUYNNGSSA-N 397.368 4.106 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cnc(-c3cccs3)s2)N1 963229365 KMGKSLPWBVULIS-QAPCUYQASA-N 393.493 4.108 0 1 GIAF COc1cccc(Nc2nc(Nc3cccc(OC)c3)nc(NC(C)C)n2)c1 1772620284 BSFNVEURENFZBT-UHFFFAOYSA-N 380.452 4.196 0 1 GIAF Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccc(F)cc4)cc3)ccc12 1857536486 RDJYPEQKOFLDSU-UHFFFAOYSA-N 376.407 4.155 0 1 GIAF Cc1cc2nc(N3CCCNCC3)n(Cc3ccc(F)c(Cl)c3)c2cc1C 1857753189 ICTAHWCZHDLTMH-UHFFFAOYSA-N 386.902 4.294 0 1 GIAF CC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)CC[C@@H](O)C[C@@H](O)C=CC=Cc1ccccc1 2356552197 IKMNWINZTIFDLH-BKSKZGTRSA-N 384.516 4.292 0 1 GIAF COc1ccc([C@@H]2C=CCN(CC3CC3)CC(=O)N2Cc2ccc(F)cc2)cc1 18119293 YFMFCAMAWSFOKK-QHCPKHFHSA-N 394.490 4.186 0 3 GIAF Cc1cccc(C)c1NC(=O)[C@@]1(C)CCC(=O)N1CCc1c[nH]c2ccccc12 199397425 XXPDOPKDAUFEDT-XMMPIXPASA-N 389.499 4.347 0 3 GIAF CC(C)(C)OC(=O)N1CCC[C@H]1C1CCN(C(=O)OCc2ccccc2)CC1 209757968 KVELUTALXDHROR-IBGZPJMESA-N 388.508 4.435 0 3 GIAF CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NCCCOC)cc1 2482277 YGFNUSVNPSCATA-UHFFFAOYSA-N 398.434 4.313 0 1 GIAF Cc1cccc(N(C)S(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)c1 4873455 JYIWJEACDJZQCA-UHFFFAOYSA-N 377.469 4.363 0 1 GIAF O=C1c2ccccc2CCCN1CCN1CCC(n2ccc3ccccc32)CC1 13488311 IVYZQDZPOPPIIJ-UHFFFAOYSA-N 387.527 4.367 0 1 GIAF C[C@H](Cc1ccc(I)cc1)NCCCc1ccccc1 13735984 NVVHZMXNPUHEAQ-OAHLLOKOSA-N 379.285 4.445 0 1 GIAF COC(=O)c1c(O)cc2c(c1C)Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2 14615013 RZYQLUPPJFXCIZ-UHFFFAOYSA-N 399.182 4.133 0 1 GIAF biogenic COc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1F 72108135 KIUMNSVLPMPZBQ-UHFFFAOYSA-N 390.436 4.233 0 1 GIAF CCCCCCC1=NO[C@H]([C@H](c2cc[nH]c2)N(C)[C@H](C(=O)OC)C(C)C)C1 73258078 YRPLDGBUZAZOCH-UFYCRDLUSA-N 377.529 4.301 0 1 GIAF CCCc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1C[C@H]1CCCO1 82185226 DAVRUFUMVICRBA-MRXNPFEDSA-N 385.899 4.223 0 1 GIAF C[C@@H](OC(=O)Nc1c(-c2ccc(CC(=O)O)cc2)cnn1C)c1ccccc1 95572696 OSXHOBWJSTUHNO-CQSZACIVSA-N 379.416 4.024 0 1 GIAF FC1(F)CCN(c2cccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1 96168863 VAFNYTDLLQRYBW-UHFFFAOYSA-N 396.441 4.133 0 1 GIAF CCc1cscc1C[C@@H](NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)O 96908801 HZAJIGYQQWAXJJ-QGZVFWFLSA-N 390.936 4.331 0 1 GIAF CC(C)CN1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166750448 STUQZEDBYRNITH-UHFFFAOYSA-N 376.504 4.374 0 1 GIAF NC[C@@H](CC1CCCCC1)NC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1 206765096 WLACIZOIMWNLLB-OAHLLOKOSA-N 382.533 4.319 0 1 GIAF CC(C)C1=CC[C@@]2(C)[C@H](O)C[C@@H](O)[C@](C)(OC(=O)/C=C/c3ccccc3)[C@@H]2C1 238744755 QFWLJZPRVYMZJX-ULKLWDGOSA-N 384.516 4.126 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 299813242 RUDATBOHQWOJDD-IHPOIJCXSA-N 392.580 4.478 0 1 GIAF Cc1nc(-c2c[nH]cc2-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cs1 587020734 DMYCXBPTSJMLMM-UHFFFAOYSA-N 384.774 4.404 0 1 GIAF FC(F)(F)Oc1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 587075076 FERWVWTZWOHDIQ-UHFFFAOYSA-N 379.729 4.363 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C)nc4[nH]3)c(F)c2)c1 587147490 QRNVEHOTZYMDOC-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587338672 UPANHJJBSGEWSG-DENIHFKCSA-N 396.345 4.009 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(COCc3ccccc32)[C@@H]1c1ccc(F)cc1 587356603 KKCOAXLXZTZPBL-GGAORHGYSA-N 376.383 4.316 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(OCC(=O)OC)c(C)c1)CC2=O 587484584 SESUEXNPDBRPTF-HXUWFJFHSA-N 398.455 4.220 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]2C1 587518789 PRLPSEYEGQDGJE-TWWFPWMWSA-N 383.488 4.156 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(Cc2ccccc2)c1 587583430 WDLTUQZIAZXDKL-XUZZJYLKSA-N 398.418 4.340 0 1 GIAF COc1ccc(C)cc1C(=O)CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587785782 CHQIZIGYILFEPG-UHFFFAOYSA-N 398.772 4.109 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](O)c1ccccc1 587865034 SUUKUZAKLYUYNG-SFHVURJKSA-N 390.361 4.341 0 1 GIAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c2)c1 587931704 CVHPCPVCXIVQHS-UHFFFAOYSA-N 394.452 4.015 0 1 GIAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](C2CCC(F)(F)CC2)N1 962645053 UFIWWXVSRZIWJU-KBPBESRZSA-N 379.325 4.051 0 1 GIAF COc1cc2c(cc1OC)[C@H]([C@H]1CCN(Cc3ccccc3)C1)N(C)[C@H](C)C2 962645322 ZJSHLLZRKLETPL-VUMVONDWSA-N 380.532 4.143 0 1 GIAF CC(C)(c1ccccc1)[C@@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972532 JGEWGLSRDWKXGV-YWZLYKJASA-N 379.834 4.410 0 1 GIAF C[C@@]1(Cc2ccc([C@@H]3C=CN=CC3)cc2)NC(=O)c2cc(Cl)ccc2NC1=O 1772597161 PEIZKVNKRNRLFR-ZHRRBRCNSA-N 393.874 4.095 0 1 GIAF COc1cc(C(=O)c2cnc(-c3c[nH]c4cc(C)ccc34)[nH]2)cc(OC)c1OC 1857569076 HSNWRMDYGTXJLA-UHFFFAOYSA-N 391.427 4.123 0 1 GIAF Cc1ccn2c(C(=O)NCCCNc3ccc(C(C)(C)C)cc3)c(C)nc2c1 1857638188 SZMXRAGTEJIXNG-UHFFFAOYSA-N 378.520 4.481 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CC(C(N)=O)=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 1857640122 CPGOQTKJUPLDPD-ACAUBTHISA-N 392.543 4.254 0 1 GIAF COc1ccc(OC)c2c1C[C@H]1c3cc(Cc4ccncc4)sc3CCN1C2 1857641978 NIOQYKKCRDLWFH-FQEVSTJZSA-N 392.524 4.407 0 1 GIAF COc1ccc2c(c1)C(=O)N(c1cnn3ccc(-c4ccnc5[nH]ccc45)cc13)C2 1857646612 VVTBOBVOIHFRHC-UHFFFAOYSA-N 395.422 4.047 0 1 GIAF CCN=c1cc(-c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2F)cc[nH]1 1857652571 UEVVAQUTKZLWHD-UHFFFAOYSA-N 380.423 4.394 0 1 GIAF CC1(C)CO[C@]2(C[C@@]34C[C@H]2CC[C@@H]3[C@]2(C)CCCC(C)(C)[C@@H]2C(=O)[C@@H]4O)O1 2356781503 ISGRVSGPQTWWAS-VOPKRTLHSA-N 376.537 4.091 0 1 GIAF COc1ccc([C@@](C)(NC(C)=O)c2nc(-c3cc(F)cc(F)c3)cs2)cc1 61928492 LRQNYYNOTGBPOB-HXUWFJFHSA-N 388.439 4.497 0 3 GIAF COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(C(C)C)cc1 4049648 XFVUZASLEVJHSY-UNMCSNQZSA-N 380.488 4.055 0 1 GIAF Cc1c(CN(C)c2cc(Cl)c(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 5891410 SSRULYXLEIMTOP-UHFFFAOYSA-N 397.697 4.094 0 1 GIAF COC(=O)C[C@@H]1[C@@H](Cc2ccccc2)C[C@@H]2[C@H](Cc3ccccc3)C[C@H]1N2C 13776443 XXQUTIIQIQULCG-ODTAKUCXSA-N 377.528 4.360 0 1 GIAF Cc1cnc2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nn2c1C 13861594 WHGZGEFGZXHTST-UHFFFAOYSA-N 395.459 4.223 0 1 GIAF O=C1O[C@H](c2cccc(Cl)c2)[C@@](Cn2cncn2)(c2cccc(Cl)c2)O1 26008994 VXUWLZQPINPMDL-SJLPKXTDSA-N 390.226 4.389 0 1 GIAF CCN(CC)c1nc(C)nc2c(-c3cc(F)c(OC)cc3Cl)c(C)nn12 40938290 XAUQZVAXSGENNV-UHFFFAOYSA-N 377.851 4.055 0 1 GIAF COC(=O)/C=C/c1ccc(CC[C@@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1 45166934 HUEVKZQZMJKGGM-HGUKGVBJSA-N 387.907 4.171 0 1 GIAF O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2c1N[C@H](c1ccccc1)CC2 64549908 AXGLSWIKMWWPBI-SXYIGIQMSA-N 376.504 4.139 0 1 GIAF COc1ccc(-c2ccn([C@H](C)CC(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1 71295748 NWSMHPOVHBUYOS-OAHLLOKOSA-N 392.455 4.274 0 1 GIAF O[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccccc2)C[C@@H]1n1cc(C2CC2)nn1 72105240 RPLSDUZTQXIMPH-XPWALMASSA-N 380.536 4.085 0 1 GIAF C[C@H]1CN(CCC(=O)NCC2CCCCC2)[C@@H]2Cc3ccc(O)cc3[C@]1(C)C2 101365330 NJTSQQWAQBAVLU-WPSZSDGUSA-N 384.564 4.003 0 1 GIAF COc1cccc(COc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1 103223408 VVZDGXANGLNAFD-UHFFFAOYSA-N 383.469 4.383 0 1 GIAF CS(=O)(=O)c1cccc(-c2csc3ncnc(Sc4ccncc4)c23)c1 114809552 AMSCCWRHLNRSKL-UHFFFAOYSA-N 399.522 4.308 0 1 GIAF CC[C@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@H]1c1ccccn1 169343411 PLEATYFGVZEHES-OTYXRUKQSA-N 380.227 4.206 0 1 GIAF O=C(Nc1ccnc(O)c1)c1cc(C(F)(F)F)ccc1O[C@@H]1C[C@@H]2C[C@@H]2C1 261186294 XNISXOXNXGRBGI-YABSGUDNSA-N 378.350 4.236 0 1 GIAF COc1ccc2c(C)c(CCc3nc4ccnc(Cl)c4[nH]3)c(=O)oc2c1C 586918621 PAIXLWVKYUFZGW-UHFFFAOYSA-N 383.835 4.128 0 1 GIAF CCCCOc1cc2nc([C@H](N)Cc3cscn3)[nH]c2cc1Br 587027840 ICOSWXZCMZASBG-GFCCVEGCSA-N 395.326 4.203 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cncc(C)c3[nH]1)N2 587032998 WWTLFIIKXOEQAK-DELQEKLWSA-N 385.518 4.393 0 1 GIAF Clc1nccnc1N1CCC(c2nc3cccc(Br)c3[nH]2)CC1 587084995 MCMPLZXVBHMJCW-UHFFFAOYSA-N 392.688 4.153 0 1 GIAF Cc1cc(Br)cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 587170822 FLEFCDUMWAVTNV-UHFFFAOYSA-N 377.213 4.230 0 1 GIAF COc1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1F 587217335 CFBSXQHWQMJMEA-FQEVSTJZSA-N 375.403 4.230 0 1 GIAF NC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335177 VPJMYNRMUBBJBV-RBBKRZOGSA-N 397.833 4.398 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC2CCC2)c2ccccc21 587486728 LALNYCQNNNYBBI-DEOSSOPVSA-N 391.467 4.352 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1ccc3c(c1)CCCC3)CC2=O 587490973 TVJWQAYBLBSNDI-HSZRJFAPSA-N 380.440 4.169 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c3oc(=O)sc3c1)CC2=O 587501780 XVYWIFAZXNNPSJ-HNNXBMFYSA-N 386.425 4.228 0 1 GIAF CCc1nn(C)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552035 MLJPDOMEHMXOKR-QFBILLFUSA-N 384.819 4.044 0 1 GIAF O=C(O)/C=C/c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600778 BJVNKJCSUMVQGQ-GZJKAKNASA-N 388.375 4.193 0 1 GIAF Cc1cc(Cl)ccc1O[C@@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652202 XVPXTHXQOASQBO-NSHDSACASA-N 377.227 4.119 0 1 GIAF COc1ccc(F)c(F)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587721973 XGVVONWLTJZRQU-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF CCCOc1cccc(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587779291 YFEWRSFXTZBRRB-UHFFFAOYSA-N 398.406 4.236 0 1 GIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 587785337 NCOKAJMWZUMGSV-NEPJUHHUSA-N 389.224 4.408 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587837046 YZCRKWUCANLLHN-NSPYISDASA-N 392.268 4.157 0 1 GIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1cn(Cc2ccc(Cl)cc2)nn1 963112018 WKQPEXIVENUOAF-GHTZIAJQSA-N 382.870 4.229 0 1 GIAF FC(F)(F)c1cccc(Nc2nc(CN3CCOCC3)nc3sccc23)c1 1857564036 LGDUDENADQPLLX-UHFFFAOYSA-N 394.422 4.286 0 1 GIAF O=C(N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1ccccn1 1857572369 WOBDANFIVGVTSQ-UHFFFAOYSA-N 396.372 4.173 0 1 GIAF COc1cccnc1C1CCN([C@@H]2CCCN(c3nc(C)cs3)CC2)CC1 1857603218 RPDZPTKQBNFHOT-GOSISDBHSA-N 386.565 4.094 0 1 GIAF Cc1nnn2c1-c1ccc(-c3cc[nH]n3)cc1N(c1ccc(Cl)cc1)CC2 1857643851 ZJXAVKZXYZJJKO-UHFFFAOYSA-N 376.851 4.449 0 1 GIAF Nc1c2c(nc3ccc(Cl)cc13)N1C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]1CC2 1911571895 DALUKMQNMUCKKJ-GYBPZWCXSA-N 382.939 4.096 0 1 GIAF COC(=O)c1cc2sc(Cl)cc2n1CC(=O)N1CCCc2ccccc21 4100611 OFNKUJXKSQFDPK-UHFFFAOYSA-N 388.876 4.122 0 3 GIAF O=C(NCc1cccs1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2 3040640 GTMBNGFLHOZEJF-UHFFFAOYSA-N 394.521 4.317 0 1 GIAF CN(C)C(=O)c1ccc(-c2ccc3ncnc(N(C)Cc4ccco4)c3c2)cc1 4264662 MQJSHZZPRVCBLD-UHFFFAOYSA-N 386.455 4.228 0 1 GIAF CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)Nc1cccc(O)c1 5414302 UHBGMGYDQVLRMP-RDJZCZTQSA-N 384.451 4.048 0 1 GIAF biogenic C[C@@H](CCCCC(=O)Nc1ccccc1C(F)(F)F)NCCc1c[nH]cn1 26254741 UDEWZBIDDHRLSM-AWEZNQCLSA-N 382.430 4.148 0 1 GIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(N(C)C)c3)cc2)C[C@@H]2CC[C@H]1N2C 28563337 GLJUXNMBHHRFQA-WBADGQHESA-N 378.516 4.159 0 1 GIAF CCN(C(=O)c1ccc(-n2c(C)nc3ccccc32)cc1)[C@@H]1CCN(C(C)C)C1 72126124 OCKSMLBCSUYIST-OAQYLSRUSA-N 390.531 4.279 0 1 GIAF CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 78938381 MENQCIVHHONJLU-QHHCJMLQSA-N 398.565 4.422 0 1 GIAF in-vitro O=C(c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1)N1CCCC1 82140307 NJTCUWSOGUXFDQ-UHFFFAOYSA-N 376.435 4.131 0 1 GIAF COc1cc(-c2nc(C3CCC3)n3ncnc(N)c23)ccc1Oc1ccccc1 96168309 ZIVITYGTUDHHAJ-UHFFFAOYSA-N 387.443 4.442 0 1 GIAF CCCc1sc(-c2cccc(F)c2)nc1CSc1nc(N)cc(N)n1 96283877 NAYQDORSLYPJGM-UHFFFAOYSA-N 375.498 4.148 0 1 GIAF Cc1nc(NC(=O)[C@@H]2C(=O)N3c4ccccc4CCc4cccc2c43)sc1C 100658622 PBPKXHSCECWCRL-GOSISDBHSA-N 389.480 4.259 0 1 GIAF O=C(NC(=O)c1c(F)cccc1F)OCc1ccc(-c2cccc(F)c2)o1 103212794 COZNTMDZKFRKME-UHFFFAOYSA-N 375.302 4.431 0 1 GIAF NC(=O)c1ccc2[nH]c(-c3ccc([C@H](O)c4ccc(Cl)cc4)cc3)nc2c1 116016439 ZJHFPGDWRJEXNI-IBGZPJMESA-N 377.831 4.064 0 1 GIAF Cc1ccc(CC(C)(C)O)cc1-c1nnc2c(C)nc3ccc(C4CC4)nc3n12 145742777 XKWIFWAWLJUAAA-UHFFFAOYSA-N 387.487 4.147 0 1 GIAF COC(=O)[C@H]1[C@@H](O[C@@H](c2ccccc2)c2ccc(C)cc2)C[C@@H]2CC[C@@H]1N2C 169314995 KVVSZDPIQNKZIJ-FADBTOOJSA-N 379.500 4.125 0 1 GIAF COc1ccc(CCNc2cc(-c3ccc(F)c(CN=O)c3)nc(OC)n2)cc1 169729107 VBQRLWAKXHEPFA-UHFFFAOYSA-N 396.422 4.221 0 1 GIAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)cn2)c(F)c1 224787165 KIJOMALIDOSGRB-UHFFFAOYSA-N 399.491 4.214 0 1 GIAF Cc1ccccc1-c1noc(C2CCN(C(=O)NCc3ccccc3)CC2)n1 299830160 NJKYPSCILCMXHW-UHFFFAOYSA-N 376.460 4.134 0 1 GIAF O=S(=O)(CCc1nc2cc3ccccc3cc2[nH]1)c1ccc2c(c1)CCC2 586922459 NQMWZHPWBSKMET-UHFFFAOYSA-N 376.481 4.221 0 1 GIAF OCc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586985612 QHBPRPXLMKBMAL-GOSISDBHSA-N 386.293 4.003 0 1 GIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](Cn1cncn1)CCCC3 586986425 BAYDYCRQUMYNPS-AWEZNQCLSA-N 396.450 4.254 0 1 GIAF CCn1cc(Br)c(Cc2nc3cc(C)c(Br)cc3[nH]2)n1 587000451 KDBBASQAMOZJBO-UHFFFAOYSA-N 398.102 4.204 0 1 GIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3c(C)cnc(Cl)c3[nH]2)cc1 587243862 CFSMMVIKBQWNEC-UHFFFAOYSA-N 381.823 4.059 0 1 GIAF COc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC(F)(F)F)c1 587420747 HCPODHUGZHAORP-ACJLOTCBSA-N 380.318 4.091 0 1 GIAF CCOC(=O)[C@H](CC)[C@]1(c2cccc(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440612 HGBCFJFCJWDIHX-GLDPYIMESA-N 394.467 4.236 0 1 GIAF CCOc1cc(N2CCCC2)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444973 SVBJNZSLEVHMJS-WZONZLPQSA-N 379.456 4.183 0 1 GIAF COc1cc2c3c(c1)O[C@@](C=C(SC)SC)(c1ccccn1)[C@@H](C2)C3=O 587450517 HFYFQIRTDBJVKI-VBKZILBWSA-N 385.510 4.301 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC2CCC2)c2ccccc21 587486732 LALNYCQNNNYBBI-XMMPIXPASA-N 391.467 4.352 0 1 GIAF O=C1C[C@@H](c2cccc(F)c2N2CCOCC2)Oc2c1ccc1c2CCCC1 587504538 JJBHKWLNNINROW-NRFANRHFSA-N 381.447 4.248 0 1 GIAF CCOC(=O)C(CC)(CC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596827 PITIYHGDKLRRLU-XMSQKQJNSA-N 398.455 4.482 0 1 GIAF Cc1c(-c2ccc(Br)cc2O)[nH]c2ccc(S(C)(=O)=O)cc12 587649372 SVQPAOOWGLSURX-UHFFFAOYSA-N 380.263 4.015 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]2NC(=O)OC(C)(C)C)N1 587741856 IRSSYLGFERZFRD-ZEWFUEFWSA-N 399.304 4.005 0 1 GIAF CCOc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587773915 SDUVNGKFQAZOPF-ZMZPIMSZSA-N 379.273 4.180 0 1 GIAF COc1cc(C2(c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)CC2)ccc1C 587925915 FKZRAFSDORFNCU-UHFFFAOYSA-N 382.773 4.374 0 1 GIAF CCCOC(=O)c1sc2cc(Oc3ccnc(C(=O)NC)c3)ccc2c1C 1772613320 RSVLYWZYWVWMMB-UHFFFAOYSA-N 384.457 4.323 0 1 GIAF CC(C)(C)n1nc(CN2Cc3ccccc3S2(=O)=O)cc1-c1ccc(F)cc1 1772653274 DGFREMKMNHLXBY-UHFFFAOYSA-N 399.491 4.149 0 1 GIAF COc1cc2c(cc1OC)[C@H](CCc1c[nH]c3cc(C)ccc13)N(C=O)CC2 1857585243 OIDQRHGTWLIKKZ-NRFANRHFSA-N 378.472 4.182 0 1 GIAF CON[S@](=O)(=NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccc(C)cc1 1911586380 DSTCENQLADGAPG-MUUNZHRXSA-N 399.516 4.097 0 1 GIAF CC(=O)O[C@H]1C[C@]2(C)C[C@H](OC(C)=O)C[C@@H]2[C@@H]2CC[C@H]3C(=O)CCC[C@]3(C)[C@@H]12 2356436771 ZIHQYPUMMFHRCD-ISXOOTCWSA-N 390.520 4.072 0 1 GIAF CC(=O)[C@@H]1C[C@H](O)[C@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@H]4CC3)CC[C@]12C 2356445466 CFKGOPCMHMUILV-SAQWDPBGSA-N 384.516 4.287 0 1 GIAF O=C(Nc1sccc1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1658366 PABIFNKULJCOMR-UHFFFAOYSA-N 377.874 4.487 0 1 GIAF Cc1cc(C(=O)c2ccc(-n3ccnc3)cc2)ccc1OCCCCC(=O)O 1909216 SQYDMKSZYOXFMN-UHFFFAOYSA-N 378.428 4.045 0 1 GIAF COc1c2c(cc3c1[C@H]1Oc4cc5c(cc4[C@H]1CO3)OCO5)OC(C)(C)CC2 14613186 QQYQFSONAPRYKI-ASSNKEHSSA-N 382.412 4.137 0 1 GIAF biogenic COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C(C)(C)C=CO4 25979115 GSZRULWGAWHHRI-RTBURBONSA-N 394.423 4.007 0 1 GIAF biogenic COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26506628 SPNSPIATZGICGL-RTBURBONSA-N 378.472 4.257 0 1 GIAF Cc1ccc(-n2c(C)nnc2SCC(=O)N(C)c2ccccc2Cl)cc1 35001740 XSVNGJXBGUZEAZ-UHFFFAOYSA-N 386.908 4.293 0 1 GIAF CN1CCN(c2nc3c(Nc4ccccc4)c4ccccc4nc3s2)CC1 40395167 MGASBRSGDLFHPZ-UHFFFAOYSA-N 375.501 4.340 0 1 GIAF CCC[C@@H](C)Nc1nc(C)cc(N[C@@H](CC(C)C)C(=O)NC2CCCC2)n1 45192739 IWKCNHLLBOGTRX-QAPCUYQASA-N 375.561 4.271 0 1 GIAF COC(=O)CCCSc1nnc(-c2cccc(-c3ccccc3OC)c2)o1 64417129 AQNNSPUJKWKSRO-UHFFFAOYSA-N 384.457 4.458 0 1 GIAF COc1cccc2c1nc(CCc1nc(-c3ccccc3)cn1C)n1nc(C)cc21 66058932 RPAGXILTZTWVMX-UHFFFAOYSA-N 397.482 4.385 0 1 GIAF Cc1csc(-c2nc(CCCCC(=O)O)[nH]c2-c2ccc3c(c2)OCO3)n1 73311905 SEDLGVNYYUBYNC-UHFFFAOYSA-N 385.445 4.035 0 1 GIAF CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23CC[C@H]1C=C2C(=O)O/C3=C\CCCO 85571578 VOCQKLXHYNXMPD-KUWYEQIUSA-N 396.483 4.100 0 1 GIAF biogenic,in-vitro Cc1cc(C)nc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 95571284 UHILQSVKIPUHLB-UHFFFAOYSA-N 394.466 4.236 0 1 GIAF Oc1ccc2cc1COC/C=C\COCc1cccc(c1)-c1ccnc(n1)N2 96903238 UVANEUUATLLBKA-UPHRSURJSA-N 375.428 4.196 0 1 GIAF CC(C)(C)c1ccc(S(=O)(=O)NC2[C@@H]3CC[C@@H]2Cc2ccccc2C3)cc1 101027682 YHPXUPMIWAWXCL-RTBURBONSA-N 383.557 4.456 0 1 GIAF C[C@@H](Nc1ncnc2[nH]c(-c3ccc(C(=O)NO)cc3)cc12)c1ccc(F)cc1 138912416 YBXLBZOKGBWPKP-GFCCVEGCSA-N 391.406 4.056 0 1 GIAF Cc1onc(-c2cccc(Cl)c2)c1COc1ccc(C(=O)NC2CC2)cn1 141270247 VUQGXRGAYLGVPS-UHFFFAOYSA-N 383.835 4.170 0 1 GIAF CC(C)(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224741489 MKLSZDVTSMHIOZ-UHFFFAOYSA-N 385.464 4.104 0 1 GIAF CCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 261107327 HOJGYADNYPGADT-UAPYVXQJSA-N 386.536 4.070 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 586918439 YZTBWOUPTWRGFA-VOJFVSQTSA-N 376.243 4.481 0 1 GIAF Cc1ccc2c3c(cc(CC(=O)Nc4cccnc4)nc13)-c1ccccc1C2=O 586997593 SZSMYZJKTFHJMY-UHFFFAOYSA-N 379.419 4.331 0 1 GIAF CCCn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587339010 DCBBMZDWNKXFDW-UNMCSNQZSA-N 380.419 4.412 0 1 GIAF C[C@H](O)[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357606 UTJKOOVSOWCCOD-PPYUERFYSA-N 392.426 4.253 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(Br)cc1F)O2 587383104 XNEBAERBIILYLP-GOSISDBHSA-N 378.241 4.445 0 1 GIAF CCn1cc(-c2cc3ccccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587393829 NRBRBBFPHVEHNG-OAQYLSRUSA-N 386.455 4.420 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CC[C@H](OCc4ccccc4)C[C@H]1F)[C@@H](C2)C3=O 587424727 SYLQZOFKGSGSCN-RHQHVJKBSA-N 382.431 4.289 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(OCC)cc1)CC2=O 587480094 NDGHNNFMBAFJTB-HSZRJFAPSA-N 398.455 4.469 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(OC[C@H]3CO3)cc1)CC2=O 587492707 RSZSOWQGIOHJAO-UUOWRZLLSA-N 396.483 4.479 0 1 GIAF C[C@]1(c2ccc(N3CCOC3=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514684 OHZJDFBWPOVCAV-HSZRJFAPSA-N 377.440 4.403 0 1 GIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587593287 LCRFFKYKWVJENT-REWPJTCUSA-N 392.407 4.286 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc2sccn12 587619347 RZJNRBNMCYJHNI-GUYCJALGSA-N 398.827 4.458 0 1 GIAF COc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2-c2cccnc2)cc1 587651131 LFVIOVYZVDYKAO-UHFFFAOYSA-N 378.453 4.309 0 1 GIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nc2ccccc2o1 587657418 WGJKYTUCEULPNB-UHFFFAOYSA-N 375.334 4.472 0 1 GIAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1C 587749647 PXCICNQMLAVQRQ-DGIBIBHMSA-N 393.300 4.285 0 1 GIAF CC(=O)Oc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587813718 WSMRXXIDRRYGOY-MGNBDDOMSA-N 378.241 4.137 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc4c(cc32)OCO4)N1 587838779 PCGAOZYUPRWIJC-APBUJDDRSA-N 390.252 4.041 0 1 GIAF COc1cc(O)cc(-c2cccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2)c1 587933242 VVKAQMJWHOOYIX-UHFFFAOYSA-N 385.423 4.496 0 1 GIAF Oc1ccc([C@@]2(c3ccc(Cl)cc3)NCCc3nc4ccccn4c32)cc1 962992039 WRLKKAROQAAZSU-JOCHJYFZSA-N 375.859 4.131 0 1 GIAF COc1cccc2cc3c(nc12)[C@@]1(CCCCC[C@@H]1C(=O)C(F)(F)F)NCC3 963049230 BHWARQGDVPJRGZ-QRWLVFNGSA-N 392.421 4.296 0 1 GIAF CCOc1cccc(Nc2nc3nonc3nc2Nc2cccc(OCC)c2)c1 1857592649 RPLLSWSLOKVRLA-UHFFFAOYSA-N 392.419 4.297 0 1 GIAF O=c1cc(Sc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)nc(O)n1O 1857656580 ZPFLJEHOPGJBFK-UHFFFAOYSA-N 380.347 4.023 0 1 GIAF CN(C)[C@H](CN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1 22039857 SYENVULNBJTJKD-PKTZIBPZSA-N 391.490 4.398 0 3 GIAF O=C1C2=C(c3ccccc3)Nc3ccccc3CN2C(=O)N1Cc1ccccc1 95602399 IKXVDTRYRQGAGO-UHFFFAOYSA-N 381.435 4.445 0 3 GIAF C[C@@H](NC(=O)c1cc2oc3ccccc3c2n1C)c1ccc2c(c1)OCCO2 5149889 FXAMEYVLPJCVSP-CYBMUJFWSA-N 376.412 4.187 0 1 GIAF O=C([C@@H]1CCCN1)N1CCC[C@H]1P1(=O)Oc2ccccc2-c2ccccc2O1 13795540 AIEHHNWFVDMCGL-FXAWDEMLSA-N 398.399 4.018 0 1 GIAF C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C(=O)CBr)[C@@H]1CCC2=O 29468523 AGHFYYSPGSRXOM-VQEGESQYSA-N 393.321 4.032 0 1 GIAF COc1ccc(NC(=O)N[C@H]2CCN(c3ccnc4cc(Cl)ccc34)C2)cc1 45168927 CONJQRBZKIMYIX-INIZCTEOSA-N 396.878 4.297 0 1 GIAF O=C(c1cccc(Cl)c1Cl)N1CCN(c2cccc(Cl)c2)C(=O)C1 59280307 BSNOPWWUGCZSER-UHFFFAOYSA-N 383.662 4.136 0 1 GIAF Cc1ccc(OCc2ccccc2-c2nn(CN3CCOCC3)c(=S)o2)cc1 64436626 VZVUKOGACKRDML-UHFFFAOYSA-N 397.500 4.050 0 1 GIAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)C3CC3)c2)n1C 64526952 PPLGDSLAUUXVNO-UHFFFAOYSA-N 382.464 4.359 0 1 GIAF CCNC(=O)c1cc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc2s1 64539756 ZXJCTVGWBHRFOZ-UHFFFAOYSA-N 382.367 4.083 0 1 GIAF O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1 95565874 VMRGMMQMAQNDBX-UHFFFAOYSA-N 391.233 4.047 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 586917245 RRLHWDKAWHXKJR-BBATYDOGSA-N 376.243 4.481 0 1 GIAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 586927667 WPDSEFLJTJLRPV-UHFFFAOYSA-N 397.283 4.089 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)c(Cl)ccc3[nH]2)cc1 586939108 YEVHKCNRLWUBHW-NSHDSACASA-N 377.897 4.269 0 1 GIAF O=C1C[C@H](Cc2nc3cncc(Cl)c3[nH]2)c2c(Br)cccc2O1 587004002 PUOUXJGBVIKMLB-QMMMGPOBSA-N 392.640 4.009 0 1 GIAF Cc1cc2c(Br)ccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2o1 587004456 UEXKUQJGDJCFQQ-UHFFFAOYSA-N 398.216 4.378 0 1 GIAF Cc1cc(-c2nc3cc(C(N)=O)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587143870 BTKNHBZBPSZUAB-UHFFFAOYSA-N 389.386 4.142 0 1 GIAF CS(=O)(=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587195733 JKMNAXPRHDWDKL-UHFFFAOYSA-N 391.496 4.173 0 1 GIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cncc(Br)c2[nH]1)C(C)(C)C 587202559 BCBKDPLMRFEAOM-GFCCVEGCSA-N 397.317 4.202 0 1 GIAF CCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587377710 PAVHHFPUSHWHGO-KRWDZBQOSA-N 376.250 4.445 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)c(F)c1)CC2=O 587465826 HTFZQXZWYTWQCO-OAQYLSRUSA-N 385.435 4.027 0 1 GIAF C[C@@H](CC(=O)O)[C@@]1(c2ccc(N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511611 QPEAFRAYYGKOFD-LFVRLGFBSA-N 379.456 4.119 0 1 GIAF Cc1nn(C(C)C)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582639 QOJNSBBUTHWAKB-UGKGYDQZSA-N 378.428 4.489 0 1 GIAF C[C@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650112 XKLBYCSFVSQEHP-JTQLQIEISA-N 377.849 4.080 0 1 GIAF Cc1ccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)cc1 587652033 JQZZRUISLGHFAK-UHFFFAOYSA-N 394.814 4.219 0 1 GIAF CCCCN(CCCC)c1ccc(-c2nn(C=O)c(=O)c3ccccc23)c(O)c1 587661053 MTZCWEHGPIKWKU-UHFFFAOYSA-N 393.487 4.214 0 1 GIAF CC(C)[C@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587702042 DGESJJWTKUSFGY-VFZGTOFNSA-N 396.222 4.495 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc3ccccc3n2C)N1 587757597 OXGLSXCTMOVSGQ-JEOXALJRSA-N 388.284 4.273 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](O)c3ccccc32)N1 587835433 WLFYIMJANGWPNI-CYXMAGCYSA-N 376.269 4.193 0 1 GIAF Cc1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(S)n1 587842869 GTSSERVQSXXDDD-WNWIJWBNSA-N 396.329 4.081 0 1 GIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C(F)(F)F)cnc4[nH]1)(C3)C2 587949765 ASGSSYCKYCJXJK-CCHVVGMOSA-N 379.382 4.130 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4OC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 1772636970 NZSYMZVDHKLIID-NUSLZGIJSA-N 375.553 4.419 0 1 GIAF Fc1cccc(Cn2nnc3c2CCN(c2ccc(C(F)(F)F)cc2)C3)c1 1857774938 IBJMOJJQKOZSJY-UHFFFAOYSA-N 376.357 4.047 0 1 GIAF COCc1cccc(-c2csc([C@H](NC(C)=O)c3cccc(OC)c3)n2)c1 61905411 DZKJLVJYKMBTFV-HXUWFJFHSA-N 382.485 4.191 0 3 GIAF CCN(CC)CCC/N=C/c1c(O)n(-c2ccccc2C)c(=O)c2ccccc12 8475407 KYIIKGSVZROKEB-KOEQRZSOSA-N 391.515 4.156 0 1 GIAF Cc1nnc2n1[C@@H]1SC(Br)=C[C@@H]1C(c1ccccc1Cl)=NC2 11616525 QOPLLZDCYUZSDV-MEBBXXQBSA-N 395.713 4.341 0 1 GIAF in-man COc1c(C(=O)N[C@@H]2CN3CCC2CC3)cc(Cl)cc1C1CCCCC1 13451280 QICRBBPRWKJAQA-LJQANCHMSA-N 376.928 4.220 0 1 GIAF CONCCC[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 13809015 AUKXJWFIGPWEJE-QSEOKABFSA-N 379.585 4.052 0 1 GIAF O=C(CCCN1CCN([C@H]2CCCc3ccccc32)CC1)c1ccc(F)cc1 22938694 JGHINESLHSSDOZ-QHCPKHFHSA-N 380.507 4.484 0 1 GIAF O=C(NCCCN1CCN2c3ccccc3CC[C@H]2C1)c1ccc2ccccc2c1 28339779 XPGNEESVPGFUPQ-DEOSSOPVSA-N 399.538 4.097 0 1 GIAF C=C(OCC)c1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1 28877847 CPIWABZGQSYDER-UHFFFAOYSA-N 376.416 4.150 0 1 GIAF Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(-c2ccccc2)cc1 28889210 LTXNZHKYXXSYPY-UHFFFAOYSA-N 383.455 4.347 0 1 GIAF CCOC(=O)C[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801230 BKHTUFWIZQYTIT-REVDCZTESA-N 375.553 4.419 0 1 GIAF CCOc1cc2c(cc1OC(C)=O)C(=O)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 39180076 BQBOABNOMRVZDN-CFHMYVBKSA-N 386.488 4.258 0 1 GIAF O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(Cc2ccc(O)cc2)C1 45334644 OJALHTBIRLQALG-YCOJEUHLSA-N 391.298 4.103 0 1 GIAF COc1cc(OCCCCc2ccccc2)ccc1/C=C/CNCCC(=O)O 59615584 RZVBWPXYDFOCRF-YRNVUSSQSA-N 383.488 4.174 0 1 GIAF O=C(O)/C=C/c1ccc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)nn1 72113252 CDAAVYZFXPHOOS-ZZXKWVIFSA-N 376.456 4.415 0 1 GIAF CC(C)CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2C[C@@H]1CCCO1 82178085 LALBVDHICNMVBM-HKUYNNGSSA-N 393.535 4.419 0 1 GIAF O=C(O)c1ccc(Nc2nccc(Nc3ccccc3Br)n2)cc1 87613217 NCXZWZMYZVWHNN-UHFFFAOYSA-N 385.221 4.425 0 1 GIAF in-vitro COc1ccc2c(c1)oc1c(Nc3cc(OC)c(OC)c(OC)c3)ncnc12 95593483 LPGMUDUHRONYBF-UHFFFAOYSA-N 381.388 4.154 0 1 GIAF O=C(Nc1nccs1)[C@H](CC1CCCCC1)n1cnc2ccccc2c1=O 95602221 BFQVTQQSJVMVLN-KRWDZBQOSA-N 382.489 4.003 0 1 GIAF CCCCCCCCCCCCNC(=O)[C@@H](NC(=O)c1ccccc1)[C@@H](C)O 142676806 ANRUPLIPTPNTBN-CTNGQTDRSA-N 390.568 4.203 0 1 GIAF O=S(=O)(c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1)C(F)(F)F 586888157 WRGKWJOMKKWZII-KSSFIOAISA-N 392.402 4.228 0 1 GIAF O=C1O/C(=C/c2nc3cc(Br)c(F)c(F)c3[nH]2)c2ccccc21 586907764 WQVMTXQJZGGPOQ-IZZDOVSWSA-N 377.144 4.272 0 1 GIAF Cc1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1C 586950681 KNFPLYSMGGDVKY-UHFFFAOYSA-N 398.532 4.112 0 1 GIAF Cc1ccc2c(ccc3nc(C[C@@H](N)c4ccc(Br)cc4)[nH]c32)n1 586998134 XQGYWRXKFKBCKU-OAHLLOKOSA-N 381.277 4.425 0 1 GIAF CCOC(=O)c1cc(Br)c2nc(-c3ccc(CN=O)cc3)[nH]c2c1 587191454 ZYUUYWZMMAULDH-UHFFFAOYSA-N 388.221 4.436 0 1 GIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(Cl)ncc4[nH]3)c2)c1 587231516 BKIVXGOSSOUGTR-UHFFFAOYSA-N 376.847 4.229 0 1 GIAF Cc1cccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347727 MNALEWGDFAGVRH-WMZHIEFXSA-N 389.382 4.046 0 1 GIAF CCC[C@H]1C(=O)N2CCCc3cccc(c32)[C@]12CC(=O)c1cc(C)cc(N)c1O2 587395572 RMTDJGHQYOCTPW-MHECFPHRSA-N 390.483 4.147 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN3CCCCC3)cc1)O2 587402113 YJXHQBCRDWBFCM-QFIPXVFZSA-N 380.488 4.148 0 1 GIAF COC(=O)C[C@@]1(c2cccc3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445213 XSATXFCROQINKG-DVECYGJZSA-N 388.419 4.054 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C=O)c(O)c4)cc1)[C@@H](C2)C3=O 587453511 ZCPBGEGLTVCRQN-CYFREDJKSA-N 386.403 4.369 0 1 GIAF O=C1CC2(CCN(C(=O)c3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587514846 PRDCZOVJSNLAQK-UHFFFAOYSA-N 375.468 4.206 0 1 GIAF C[C@]1(c2c(F)c[nH]c3nccc2-3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567788 FGVLHDJZHRLTGB-XMSQKQJNSA-N 390.370 4.236 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cncnc1 587586661 LBFFJRJBDHERJW-XUZZJYLKSA-N 396.402 4.088 0 1 GIAF CCOC(=O)C[C@@]1(CC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595215 KDGRQLHUEZUPBK-CVDCTZTESA-N 398.455 4.482 0 1 GIAF CC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)[nH]c2cc(Cl)c(F)cc12 587631549 FQUBJGOSCUDBTH-UHFFFAOYSA-N 384.794 4.002 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(C2CC2)N1 587704226 IABQKLMTXDIOFG-ANRSDYALSA-N 394.206 4.249 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc3ccc(F)cc3[nH]2)N1 587729337 HJFYDNYJAHBNSH-LZVRBXCZSA-N 392.247 4.401 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3ccc(F)cc32)N1 587734913 SOXCZLRVIFDFGI-MGNBDDOMSA-N 378.216 4.411 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2C(C)(C)C)N1 587765218 RVPDJGOWFFALIT-QFYYESIMSA-N 380.305 4.243 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccc(O)c23)N1 587807601 XNLCTQSSSVPCEQ-NIVTXAMTSA-N 375.241 4.399 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1cccnc1 587865153 YGOTXOOMGUBXST-UHFFFAOYSA-N 378.379 4.218 0 1 GIAF CCOC(=O)[C@]1(c2ccc(C)cc2F)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962964858 YNISICMLSYKGOE-NPMXOYFQSA-N 380.463 4.346 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@]3(CCC(=O)O)c1cccc(Cl)c1 963044045 BWVDEZARCNYBRJ-JOCHJYFZSA-N 396.874 4.151 0 1 GIAF COc1ncc(Br)cc1[C@H]1c2c(F)cccc2C[C@H]2CCCN12 963099251 JFKNOZDZLFMEPM-DYVFJYSZSA-N 377.257 4.102 0 1 GIAF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H]4C(=CC=C12)C(=O)N[C@]4(O)C[C@@]3(C)O 2356326472 XLWSRBGCDBHJIY-WEVUXNFUSA-N 397.559 4.023 0 1 GIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@H]2CC[C@H](OC(C)=O)[C@@H](C)[C@@]12C 2356471481 PZAGHSIXBWZOQH-QAANPFDTSA-N 390.476 4.170 0 1 GIAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](c3ccc(=O)oc3)CC(=O)[C@H]12 2356529633 NTLOERPHSXBROY-UHGLDHFZSA-N 384.516 4.306 0 1 GIAF Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3cc(Cl)c(Cl)cc23)c1 3606715 QIGZWKYITXFOJJ-UHFFFAOYSA-N 397.283 4.023 0 1 GIAF O=C(OCCC[18F])[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1cccc(/C=C\Br)c1)N2 101688401 VKZWZSZGPDLBNV-FHOOBCDWSA-N 395.303 4.179 0 1 GIAF Fc1ccc(CCNc2ccc3nnc(-c4ccc(OC(F)F)cc4)n3n2)cc1 103302936 POFIVTHXYFQSHM-UHFFFAOYSA-N 399.376 4.186 0 1 GIAF O=C(NCCc1cccc2ccc(O)cc12)c1ccc(OC(F)(F)F)cc1 29040732 MKWIFPFMDGYZEX-UHFFFAOYSA-N 375.346 4.417 0 1 GIAF COc1ccc(-c2csc([C@@](C)(O)c3ccc(F)c(F)c3)n2)cc1OC 61902901 CIHMHPYYFKGJPR-IBGZPJMESA-N 377.412 4.361 0 3 GIAF O=C(CCCN1CCC(NC(=S)Nc2ccccc2)CC1)c1ccccc1 27992155 ASFOKHABXWWEGG-UHFFFAOYSA-N 381.545 4.101 0 1 GIAF CCOc1cc2c(cc1O)[C@H](NC(C)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 26494545 YRMUBJUOYFERGW-VMTVHOEPSA-N 387.520 4.033 0 1 GIAF C[C@H](C[C@@H](O)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 27719323 OTRAYPQDIGAWSD-MFSKYVBHSA-N 392.580 4.478 0 1 GIAF NCc1ccoc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 66101752 WZCODHDIGWESMW-FQEVSTJZSA-N 387.487 4.089 0 1 GIAF C[C@H](C[C@@H](O)C(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356847100 OTRAYPQDIGAWSD-SYSXUHNUSA-N 392.580 4.478 0 1 GIAF CCOC(=O)c1cc(-c2ccc(NC(=O)[C@H](CC)c3ccccc3)cc2)[nH]n1 72125055 WESWOXCPOLPQQB-GOSISDBHSA-N 377.444 4.386 0 1 GIAF O=C(N1CCC1)N1CC(O[C@@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 73279840 DYRFEPBVSNYXAJ-KRWDZBQOSA-N 392.286 4.004 0 1 GIAF Cc1ccc(CN2C(=O)CSC[C@@]2(C)C(=O)Nc2c(C)cccc2C)cc1 199230672 SXEMPSDLGXNHKS-QFIPXVFZSA-N 382.529 4.085 0 3 GIAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1N[C@H](C)c1ccc(F)cc1 82203827 LLGPURWPSIZEGY-QGZVFWFLSA-N 383.515 4.162 0 1 GIAF Nc1nc2c(-c3cc(CCc4ccccc4)c(Br)[nH]3)nccc2[nH]1 45255759 XHTQODGQENCRBY-UHFFFAOYSA-N 382.265 4.083 0 1 GIAF COc1ccc(O[C@H](C)C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 95603594 IVGPIXAITZGSKF-CQSZACIVSA-N 389.411 4.304 0 1 GIAF C[C@H]1C(=O)N[C@H](c2ccccc2)C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N1C 95663616 AFJZYKXXKFYJLB-JSMZCXNCSA-N 392.499 4.122 0 1 GIAF CCOC(=N)c1nc2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2s1 96270435 QCJWUXFCDRVWGH-UHFFFAOYSA-N 393.428 4.074 0 1 GIAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1)C1CCCCC1 253930227 XOMRUHWGUJNGLC-AFARHQOCSA-N 397.607 4.454 0 1 GIAF COc1ccc(S(=O)(=O)Nc2ccc(-c3ccncc3)c3cccnc23)cc1 473169312 NGMHYFFQBKFNQC-UHFFFAOYSA-N 391.452 4.106 0 1 GIAF COc1ccc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587547170 KYZFMDBZCAHXDV-UZLBHIALSA-N 383.787 4.152 0 1 GIAF COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(F)F 587383832 WMBCQJGGTSCOBH-HXUWFJFHSA-N 377.387 4.110 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(N3CCC(C)CC3)ccc1N)O2 587392844 DSOJFPXMAGPLKF-HSZRJFAPSA-N 379.504 4.276 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587080308 OXJKOKPFSGUUJC-HNNXBMFYSA-N 394.841 4.265 0 1 GIAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(C)C 586933269 ONKZOBRVJBDGIH-CYBMUJFWSA-N 395.422 4.137 0 1 GIAF COC(=O)c1ccnc2[nH]c(-c3ccc(Br)c4cc(C)oc34)nc12 587004606 VOWWYWXGBLHVNQ-UHFFFAOYSA-N 386.205 4.229 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Cl)c(C)cc3[nH]2)cc1 586934926 CZYAVHIVAATHAA-LBPRGKRZSA-N 377.897 4.269 0 1 GIAF CC(=O)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 586922431 UYPONFFRQKVPEW-UHFFFAOYSA-N 390.464 4.406 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc4cnn(C(C)C)c4nc1Cl)[C@@H](C2)C3=O 587419661 HNBFOQDQNVWDCV-UGSOOPFHSA-N 383.835 4.163 0 1 GIAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2)c1 587160376 QDEWZQGKAMDULJ-UHFFFAOYSA-N 398.415 4.291 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]([C@@H]1CCOC1)C2 587617453 PRUIAHHEQYQCJJ-BORIIKKCSA-N 380.440 4.319 0 1 GIAF COCCN1C(=O)CC[C@H](c2nc3cccc(O)c3[nH]2)[C@H]1c1ccccc1Cl 587063275 SGDZCKAVACXKHD-VBKZILBWSA-N 399.878 4.016 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)Oc1ccc3c(c1)OCO3)CC2=O 587491720 PGGIOWBBVFECOQ-XMHCIUCPSA-N 384.428 4.265 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cncc(Br)c1 587657479 VJNJLASLDMKSHF-UHFFFAOYSA-N 396.219 4.349 0 1 GIAF COCCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587794005 NSOBLJCXYVDGMK-HXPMCKFVSA-N 394.284 4.237 0 1 GIAF Cc1cc2c(Br)ccc(-c3nc4c(S)nc(S)nc4[nH]3)c2o1 587004663 YBUXUOPDNMCXSO-UHFFFAOYSA-N 393.291 4.414 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1nccs1 587620402 YZXILDUWZSDUEH-PXNSSMCTSA-N 390.420 4.342 0 1 GIAF CN1CCN(c2ccc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587515616 WAMNGCABWWWRLQ-RUZDIDTESA-N 390.527 4.198 0 1 GIAF O[C@@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccccc1Cl 587058365 FNIQUGKPSMIZGQ-GFCCVEGCSA-N 377.700 4.347 0 1 GIAF COc1cc(F)cc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554695 DVOUBDAQJCEBPQ-NQIIRXRSSA-N 384.334 4.382 0 1 GIAF CCOc1cccc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962697081 KWBXBYKYIWNRJS-IEBWSBKVSA-N 397.368 4.106 0 1 GIAF CCC(=O)[C@@H](CCC(=O)OC)[C@@]1(CC)NCCc2c(Cl)cc(Cl)cc21 963119718 HQGNANSKDWMQKD-AUUYWEPGSA-N 386.319 4.293 0 1 GIAF COc1c(Br)cncc1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963093068 BEDXOPHJXSNMFB-CXAGYDPISA-N 377.257 4.102 0 1 GIAF Cn1ncc2c1CC(C)(C)C[C@]21NC2(CC2)Cc2ccc(Br)cc21 961747134 GLFKLPSYNQQWHY-HXUWFJFHSA-N 386.337 4.077 0 1 GIAF O=C(O)CCCC[C@@]1(c2ccc(Cl)cc2)NCCc2nc3ccccn3c21 962988080 WTAXJVBFMJHFFP-NRFANRHFSA-N 383.879 4.022 0 1 GIAF CCCCc1nc(CO)c(Cl)n1Cc1ccc(-c2ncccc2C(=O)O)cc1 13739759 DRDVGEXCFANSJG-UHFFFAOYSA-N 399.878 4.180 0 1 GIAF COc1cc(O)c([C@H](CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccccc2)c(OC)c1 169296679 XYQSATKYRXNKIT-FUHIMQAGSA-N 397.515 4.436 0 1 GIAF CCOC(=O)[C@@H]1C(COc2ccc(C)cc2)=NC(=O)N[C@H]1c1cc(C)ccc1C 169689314 ALJSTBWIVVGXTC-RTWAWAEBSA-N 394.471 4.075 0 1 GIAF COc1ccc(/C=C/c2nc3cc(Cl)ccc3c(=NCCCN(C)C)[nH]2)cc1 1857546613 ZQKSHPHXMJGTMW-KPKJPENVSA-N 396.922 4.248 0 1 GIAF Cc1cc(OCC(=O)O[C@H](C)CCN)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857759029 ZTVKHLCBXSWUGS-GOSISDBHSA-N 399.531 4.383 0 1 GIAF COc1ccccc1C(=O)N(CC[C@@H]1CCCN1C)c1nc2ccccc2s1 1338316 VJWZYBFEWVNBCF-INIZCTEOSA-N 395.528 4.436 0 3 GIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 27887282 GNWBLLYJQXKPIP-KQTHGUNBSA-N 388.596 4.334 0 1 GIAF COc1ccc([C@@H](C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1F 114997488 DQEIWRKPVLQBJW-OAHLLOKOSA-N 393.466 4.064 0 1 GIAF CN(C)Cc1ccc([C@@H]2c3n[nH]c(=O)c4cccc(c34)N[C@@H]2c2ccccc2)cc1 117873092 JWHYKKKANGIQHW-JTHBVZDNSA-N 396.494 4.283 0 1 GIAF Cc1ccc(CS[C@@H]2NC(=O)n3cnc(Cc4ccc(C)cc4)c3N2)cc1 27108101 DYCMWRCGBVHPRC-FQEVSTJZSA-N 378.501 4.291 0 1 GIAF CC(C)[C@@](O)(CC(C)(C)c1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O 28525964 MGDHDHQGYPSORD-QHCPKHFHSA-N 381.472 4.051 0 1 GIAF O[C@@](c1ccc(Cl)cc1)(c1ccc(Br)cc1)c1cncnc1 72185277 KVSLNFFVXSOUCT-QGZVFWFLSA-N 375.653 4.177 0 1 GIAF CCCOc1ccc(-c2ccc(Cn3ccc4c3C(=O)NCCC4=O)cc2)cc1 72175371 HHWLMOWEOCFERZ-UHFFFAOYSA-N 388.467 4.308 0 1 GIAF O=S(=O)(Nc1ccc2c(c1)ncn2Cc1ccccc1)c1ccccc1F 40392807 ZBQXKOKVEDGYSJ-UHFFFAOYSA-N 381.432 4.025 0 1 GIAF Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)[C@@H](C)Oc1cccc(Cl)c1 40933615 BQEIZLKZBLOQNR-YLJYHZDGSA-N 386.923 4.197 0 1 GIAF Nc1nccn2c(C3CCNCC3)nc(-c3ccc(Oc4ccccc4)cc3)c12 96168062 OVOWAXPVHWBMEG-UHFFFAOYSA-N 385.471 4.238 0 1 GIAF NC1=N[C@](c2ccncc2)(c2cccc(-c3cncc(F)c3)c2)c2cccc(F)c21 95577640 HLWMPHXAKRXVIS-XMMPIXPASA-N 398.416 4.433 0 1 GIAF CC(C)n1nc(C(=O)NCC2CCN(Cc3ccccc3)CC2)c2ccccc21 95566173 CMIVYQMRCKQJTA-UHFFFAOYSA-N 390.531 4.259 0 1 GIAF C[C@]1(c2cc(NC(=O)c3ccco3)cc(C(F)(F)F)c2)CCSC(N)=N1 96174281 SKMXMJUGNCZGDB-MRXNPFEDSA-N 383.395 4.218 0 1 GIAF COc1ccc(-c2cc(=O)n3nc(C)c(Cc4ccccc4Cl)c3[nH]2)cc1 653675503 BRDLJWZLEMFXMB-UHFFFAOYSA-N 379.847 4.251 0 1 GIAF CC(=O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354173 NJHHCOSYWPKBLO-GGAORHGYSA-N 376.383 4.375 0 1 GIAF COc1cc(OC)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587521954 DKBZVFHWPHLQPT-QHCPKHFHSA-N 382.456 4.472 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)C[C@H]1F)CC2=O 587471139 JBVCAKNVMNQPOR-GGAORHGYSA-N 383.463 4.293 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnn(-c3ccc(Cl)cn3)c1C)O2 587381000 ZHWDEJRWOSDIRZ-FQEVSTJZSA-N 382.851 4.000 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccccc2)[nH]1 587587866 IJZGWVBMHNQPQJ-KNQAVFIVSA-N 384.391 4.485 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12Cc1[nH]c3ccccc3c1C2 587591879 XFQKSLQZSBCSGO-ZJSXRUAMSA-N 383.403 4.373 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CC2CCC3(CC2)OCCO3)N1 587837621 JJRRUDDRXKNIOP-SGTLLEGYSA-N 398.316 4.487 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12COc1ccc(Cl)cc1C2 587551575 HEPHZLQWQIFNCR-SIKLNZKXSA-N 394.810 4.381 0 1 GIAF Cc1[nH]c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)O 587793156 QLNKRKIOURDAEG-ASCAZGACSA-N 395.272 4.029 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCN(C)C)(c2cccs2)N1 587846108 GPSPJCGYIWNINH-SGTLLEGYSA-N 397.357 4.379 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(Cc3ccc(F)cc3)c1)CC2=O 587466284 KCWBVMSPVXCFKM-OAQYLSRUSA-N 380.419 4.435 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CCO[C@H]1C21CCCC1 587839875 VKTWQURJVKAVSQ-AVKMFKFTSA-N 380.301 4.297 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc(F)cc(F)c32)N1 587738606 PHVHZSZQMDDAQK-NIVTXAMTSA-N 398.222 4.427 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(CN3CCSCC3)o1)CC2=O 587496798 UXVQSWCZXWYJQY-HXUWFJFHSA-N 387.501 4.193 0 1 GIAF COCOc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594550 OMNUKTYSBFEQOS-REWPJTCUSA-N 392.407 4.252 0 1 GIAF Cc1nc(COc2cccc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c2)cs1 587020377 QDGMBTPONUFNQZ-UHFFFAOYSA-N 392.484 4.276 0 1 GIAF CCCNc1cc(OCC)c(Br)cc1-n1c(OC)cc(C)c1O 587936015 JBWKURMBHKIWCV-UHFFFAOYSA-N 383.286 4.483 0 1 GIAF Clc1nccnc1N1CCC(c2nc3c(Cl)cnc(Cl)c3[nH]2)CC1 587085058 NBIVTIBVNKVYDQ-UHFFFAOYSA-N 383.670 4.092 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Cl)cc(C)c4[nH]3)cc12 587038890 UPPHLSALGDKJEO-SNVBAGLBSA-N 387.896 4.272 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(C)n(-c2nccs2)c1C 963665122 GGWVVXSPGCACPS-YUNKPMOVSA-N 383.517 4.191 0 1 GIAF CCOC(=O)[C@H](CC)[C@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644316 QLLAONCARJSRGY-OTNCWRBYSA-N 392.543 4.238 0 1 GIAF Clc1ccc(-c2nnnn2CCCN2CCC(Cc3ccccc3)CC2)cc1 1772583963 XXMLWQYMGPXGPP-UHFFFAOYSA-N 395.938 4.338 0 1 GIAF Fc1ccc2nc3c(c(NCCCN4CCOCC4)c2c1)Cc1ccccc1-3 1857588574 SBHJCRKQHBHGIW-UHFFFAOYSA-N 377.463 4.079 0 1 GIAF Fc1cccc(-n2nccc2-c2ccc3nnn(-c4ccc5c[nH]nc5c4)c3c2)c1 1857624627 AVUPAIPHIXRHMN-UHFFFAOYSA-N 395.401 4.289 0 1 GIAF Cc1ccnc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1 1857760084 MEFIOUNANIOGPG-UHFFFAOYSA-N 389.411 4.346 0 1 GIAF O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2cc(F)cc(F)c2)O1 140069746 FBYAOTSHEWGKTG-NHCUHLMSSA-N 376.362 4.282 0 1 GIAF CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CC1CCN(C)CC1 7991847 BPXPUPFOCCSFGJ-UHFFFAOYSA-N 392.551 4.356 0 1 GIAF O=C(NC1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccs2)c1=O 25232561 VGTQSQBQSNAZIY-CVEARBPZSA-N 397.544 4.038 0 1 GIAF biogenic O=C1CC[C@]2(c3c[nH]c4ccccc34)O[C@H](COc3ccc(Cl)cc3)CN12 27521088 OJOLQRWKRKKCNL-HRAATJIYSA-N 382.847 4.074 0 1 GIAF CC1(C)OC(c2ccccc2)(c2ccccc2)c2c1nnc(-c1ccccc1)[n+]2[O-] 27555222 MLLOJKPSIAWEQW-UHFFFAOYSA-N 395.462 4.334 0 1 GIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 58583575 JNLXLUYUHDBXME-QGZVFWFLSA-N 395.858 4.229 0 1 GIAF COc1cc2c3c(c1OCC1CCC1)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 72118164 SNIAWMWFEIINKK-SFHVURJKSA-N 393.483 4.355 0 1 GIAF O=C(O)c1cc2ccc(OCc3ccccc3)cc2n(Cc2ccccc2)c1=O 96286382 QRNBZBJKAIEJAD-UHFFFAOYSA-N 385.419 4.327 0 1 GIAF CS(=O)(=O)NCCCCN1c2ccccc2Sc2cc3ccccc3nc21 96905908 QUTPMYNNBIJRGR-UHFFFAOYSA-N 399.541 4.167 0 1 GIAF CCC(C)(C)/N=c1/c(-c2ccc(C(=O)CCc3ccccc3)cc2)c(O)c1=O 101026005 WCYLRAQFCWYETB-DAFNUICNSA-N 375.468 4.200 0 1 GIAF COc1ccc(CNC(=O)C23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)cc1 102365399 GXFDPKYQCODDDQ-GKVPXEHWSA-N 378.310 4.045 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cnc2ccccc2c1 166824235 JLVSTKJHYYRFLD-BEFAXECRSA-N 376.456 4.362 0 1 GIAF Cc1cc2ccccc2n1CCNC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 169351794 OPABERAXJSHHFO-UHFFFAOYSA-N 378.472 4.335 0 1 GIAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2scnc2c1 205433281 YGDXDNYHCIZQJZ-UHFFFAOYSA-N 378.457 4.449 0 1 GIAF Cc1ccc2c3c(cc(-c4ccc(OCC(N)=O)cc4)nc13)-c1ccccc1C2=O 586995007 CTLCDCRIIUQDDG-UHFFFAOYSA-N 394.430 4.286 0 1 GIAF Oc1nc(S)nc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc12 587128160 HUIPPEOGYDNCCD-UHFFFAOYSA-N 377.401 4.075 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(F)cnc4[nH]3)cc2F)c1 587143366 DQFNUHQZSDFTJF-UHFFFAOYSA-N 381.338 4.277 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(O)c1)(c1cc(Cl)ccc1N)O2 587379470 VCOWZNIQUMVBOV-JOCHJYFZSA-N 394.858 4.427 0 1 GIAF CC[C@]1(C2CCN(C(=O)OC(C)(C)C)CC2)CC(=O)c2cc(C)cc(N)c2O1 587396528 UEBNUPGFZVUTLV-JOCHJYFZSA-N 388.508 4.338 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCC(=O)OC(C)(C)C)cc1)O2 587398108 BQQCIWPEFXBKFZ-LJQANCHMSA-N 383.444 4.004 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12COCc1cccc(Cl)c12 587551626 HSPHAOCOMQVXIS-KNQAVFIVSA-N 394.810 4.433 0 1 GIAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 587551891 KXFHYKKKCVWROM-FXAWDEMLSA-N 396.830 4.210 0 1 GIAF CCCOc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586758 JPMPIHFPFGAHFR-RXVVDRJESA-N 377.396 4.279 0 1 GIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(C(F)(F)F)[nH]n1 587656042 USEMLWHBWJONQL-UHFFFAOYSA-N 392.287 4.073 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3nc2O)N1 587780138 YSCPFWPNHJKEOF-YPMLDQLKSA-N 387.252 4.466 0 1 GIAF CCOC(=O)C1(C)CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587798925 QAKAJKUAYMAJOZ-RMEHTXHKSA-N 398.316 4.461 0 1 GIAF CCOCc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587852566 HIIIUBNDIYNUHW-ABKXIKBNSA-N 385.302 4.205 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cnnc(O)c1Cl 587857435 QADQEIYZSKUUGQ-UHFFFAOYSA-N 385.638 4.394 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C(F)(F)F)nc1 587870887 KNUJGEBNEOZBLM-UHFFFAOYSA-N 379.313 4.190 0 1 GIAF CC[C@@]1(CC(=O)C(F)(F)F)c2cccc(F)c2CCN1[C@@H]1CCSC1 962702015 LYERVHNVHCLYJS-SJKOYZFVSA-N 375.431 4.316 0 1 GIAF Cc1sc2c(c1C)CCN[C@@]21CCN(C(=O)OCc2ccccc2)C[C@@H]1C 963011471 GVBVTAYHZXCACK-OYHNWAKOSA-N 384.545 4.385 0 1 GIAF CCc1nn(Cc2ccc(-c3nc4ccccc4[nH]3)cc2)c(CC)c1CC(=O)O 1772585569 XOEKLUDKOXVKLC-UHFFFAOYSA-N 388.471 4.227 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OCC(F)F)ccc3C2)cc1 1772590184 YGRSYTLPWCZXIY-HNNXBMFYSA-N 388.458 4.086 0 1 GIAF O=c1c(-c2ccc(Cl)cc2)cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12 1772633738 WQKFVMSFSUCNAC-UHFFFAOYSA-N 397.881 4.206 0 1 GIAF N[C@@H](CNCc1cc2c(-c3ccc4ccccc4c3)cccc2s1)C(=O)O 1772649726 VCEDNYUWRYIFLD-FQEVSTJZSA-N 376.481 4.223 0 1 GIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CC(=O)O)[C@](C)(O)CC[C@H]21 2356332702 ISGZIAHLYCQZFM-OOOLTRJPSA-N 380.525 4.334 0 1 GIAF CC(C)CC[C@@H]1CC[C@H](NC[C@@H]2C[C@H]([C@H](C)c3ccc(C=O)cc3)[N@@]3C[C@@]23O)C1 2356355080 RKXQBFQVQBLOGW-XPNJBBONSA-N 398.591 4.190 0 1 GIAF CC(=C[C@H](O)CC(C)=CCCc1ccoc1)CC[C@H](O)[C@@]1(C)CCC(=O)O1 2356401062 RUOCTYFLHGRTMP-RZUBCFFCSA-N 376.493 4.093 0 1 GIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=C[C@H](OC=O)[C@H]1C(C)(C)CCC[C@]12C 2356599869 PHJOZXITNVLKST-DIMUUIPOSA-N 378.509 4.192 0 1 GIAF C[C@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccccc2Br)=NO1 12726029 HPGIBICVSLEGMV-LJQANCHMSA-N 398.260 4.463 0 3 GIAF CCCCCCN1C[C@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(C)cc1 61923850 SKSCWLKHHLXXKL-VJBWXMMDSA-N 382.552 4.393 0 3 GIAF Cc1ccccc1CN1C(=O)CSC[C@@]1(C)C(=O)Nc1c(C)cccc1C 199230713 IBGNXYZAWBOVAU-QFIPXVFZSA-N 382.529 4.085 0 3 GIAF C[C@H]([C@@H](c1ccc2cc(OCC(C)(C)C(=O)O)ccc2c1)n1ccnc1)N(C)C 6718825 YLMRCYCGLCIPMC-IERDGZPVSA-N 395.503 4.065 0 1 GIAF CCCCN(C)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 6819377 JWMXCRRJJAIFDN-FCHUYYIVSA-N 389.499 4.337 0 1 GIAF COc1cc(-c2ccccc2)ccc1OCCNC[C@@H]1COc2ccccc2O1 40567484 NTTBWNFZOZWLDB-HXUWFJFHSA-N 391.467 4.171 0 1 GIAF CN(C)CCOC(=O)c1coc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82075115 ZQEZCQIFHXXTTM-UHFFFAOYSA-N 396.287 4.098 0 1 GIAF CCCC1CCC2(CC1)SCC(=O)N2NC(=O)C12CC3CC(CC(C3)C1)C2 95560564 WGODKCTZHOZPPF-UHFFFAOYSA-N 390.593 4.496 0 1 GIAF Brc1cccc([C@H]2C3=C(CCCC3)Nc3ncn4ncnc4c32)c1 103157173 WWHCUIPJPHCUDI-HNNXBMFYSA-N 382.265 4.272 0 1 GIAF O[C@@H](CNc1cc(-c2ccc(OC(F)(F)F)c(F)c2)ncn1)c1ccccc1 103260543 NUNAMRHNYPKXEN-INIZCTEOSA-N 393.340 4.327 0 1 GIAF O=C(Nc1ccccc1)N1CCN(Cc2cc3ccccc3nc2Cl)CC1 136785104 VSCRQEIVWIBIOB-UHFFFAOYSA-N 380.879 4.238 0 1 GIAF O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@@H](Nc2cccc(F)n2)CC1 146707731 BTAFTIZFQLUJSL-SHTZXODSSA-N 397.429 4.155 0 1 GIAF O=C(N[C@H](c1ccccn1)C(F)(F)F)c1cc(OCC2CC2)c(C2CC2)cn1 149232013 RKWJRVCFEIUUOB-GOSISDBHSA-N 391.393 4.176 0 1 GIAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2cccc(C(F)(F)F)c2)cc1OC 203679674 UXCARRATMVJXEL-DOTOQJQBSA-N 394.389 4.297 0 1 GIAF CC1(C)COc2c(-c3nc4cc(Br)cc(C(=O)O)c4[nH]3)cccc21 586913063 ZRBRNUBXMTWIFJ-UHFFFAOYSA-N 387.233 4.361 0 1 GIAF Cc1ccc(NC(=O)CSCCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 586971059 SBNJOZCVTUQEAP-UHFFFAOYSA-N 394.422 4.200 0 1 GIAF COc1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2n1 587002051 SHTAQWANOZGHTC-UHFFFAOYSA-N 384.233 4.461 0 1 GIAF Cc1c(Br)cnc2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc12 587090940 CBYMVOLGBOEKJA-UHFFFAOYSA-N 387.159 4.032 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCN(C(=O)OCc3ccccc3)C1)O2 587393086 FZQQTOBLPHBFSF-HSZRJFAPSA-N 394.471 4.104 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518332 GEDMEMBBEPUBBL-BWPNAZKDSA-N 383.488 4.012 0 1 GIAF CC(C)N(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587570014 HUVSJYQLFNIFPI-REWPJTCUSA-N 390.439 4.335 0 1 GIAF CN(C)Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587573224 SEGBZHASJWEUHP-NFBKMPQASA-N 375.424 4.157 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(N2CCCC2)c1 587596991 SUCATXRUCMGYGE-NZQKXSOJSA-N 388.423 4.090 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CC1CCCCC1)C(=O)O 587604538 UVPLSWRLIKTALO-PGRDOPGGSA-N 382.412 4.148 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)OCCCO2 587610553 PTKXOEGIANLDHU-NFBKMPQASA-N 390.391 4.256 0 1 GIAF Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2OCC(F)(F)F)cc1 587650335 SFEIBAIBBLAKJA-UHFFFAOYSA-N 383.391 4.488 0 1 GIAF COc1cc(F)c(F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587716056 ITIAWGJBIOVKDX-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1F 587721979 XHQRRMYLUGQWQJ-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF COC(=O)C[C@H](C)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587783119 FXMFLCXGFCOQRL-SSDOTTSWSA-N 379.176 4.086 0 1 GIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 587783998 CNCJCVSZGADJRF-OLZOCXBDSA-N 376.334 4.405 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836527 WDUDTRFAIAZVPT-WLRWDXFRSA-N 392.268 4.157 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccccc1C(N)=O 587859645 GKANAFBNMGFCFA-UHFFFAOYSA-N 376.243 4.344 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccnc(OC)c1 587863892 DDEIAMBHOTXMCC-UHFFFAOYSA-N 391.349 4.060 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(Br)ccn1 587866550 GDWPZNIGGIDWIB-UHFFFAOYSA-N 399.170 4.119 0 1 GIAF O=C(COc1ccc(Br)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587871761 BFHLXXGHXHWOIQ-UHFFFAOYSA-N 389.180 4.277 0 1 GIAF CCN(c1ccc(-c2csc(/C=C(\N)c3ccccc3)n2)cc1)S(C)(=O)=O 587922595 FPJIYAXEZVPMMJ-AQTBWJFISA-N 399.541 4.053 0 1 GIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Br)cc(F)c3[nH]2)cc1 587937607 QBVBGYZEERZRBH-FVMDXXJSSA-N 379.229 4.310 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@](CCc2ccccc2)(C(F)F)N1)C(F)(F)F 962705958 GQXIGTOVKFUHFP-QFBILLFUSA-N 383.360 4.426 0 1 GIAF CCc1ccccc1[C@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963154364 XDVLRYZTKBHOHR-HOTGVXAUSA-N 388.489 4.041 0 1 GIAF O=C(c1cc(-c2ccc(O)nc2)on1)N1CCC(Cc2ccc(Cl)cc2)CC1 1857556025 JSLWJSAFLHFICN-UHFFFAOYSA-N 397.862 4.191 0 1 GIAF O=C1[C@@H](c2ccc(F)cc2)N(Cc2cccs2)C(=O)CN1C1CCCCC1 6473050 HSKGZOXMGVLYQW-HXUWFJFHSA-N 386.492 4.132 0 1 GIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnco3)cc2)c1C 13809634 HZFREDAEPHMBSJ-UHFFFAOYSA-N 395.440 4.414 0 1 GIAF O=C(Nc1ccccc1)N1CCN(Cc2cnc3ccc(Cl)cc3c2)CC1 35983235 VOBAVSIXRJDZRE-UHFFFAOYSA-N 380.879 4.238 0 1 GIAF O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 39982176 SJKHGKWGRXULFU-UHFFFAOYSA-N 375.380 4.075 0 1 GIAF Fc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccn1 45317079 OJFKDXVECGWNTB-UHFFFAOYSA-N 397.523 4.347 0 1 GIAF O=S(=O)(NC[C@@H](c1ccccc1)N1CCCCCC1)c1cccc(Cl)c1 64277720 SZQOWBGHVDMDJT-FQEVSTJZSA-N 392.952 4.236 0 1 GIAF Cc1nc2ccc(NC(=O)NN3CCC(Cc4ccccc4)CC3)cc2nc1C 71296518 HBNNTJZVZLANHJ-UHFFFAOYSA-N 389.503 4.238 0 1 GIAF CCOC(=O)Sc1nc2cc(-n3nc(C(C)(C)C)oc3=O)c(F)cc2s1 73314134 UDIZIJFZESXMLQ-UHFFFAOYSA-N 397.453 4.120 0 1 GIAF CCC[C@H](O)c1ccc(Cl)c(-c2nnc3c(C)nc4ccc(C)nc4n23)c1 145735182 NBSFRDYQPJRINF-KRWDZBQOSA-N 381.867 4.443 0 1 GIAF OC1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C/CCCCN4[C@@H]21)C3 169348131 GTTZJRAWTCRMLB-ZRUIRGGGSA-N 398.591 4.185 0 1 GIAF CC(=O)O[C@@H]1O[C@H]2OC(=O)C[C@@H]1[C@@H]2[C@]1(C)CC[C@@H]2C(C)(C)CCC[C@@]23C[C@@H]13 238736475 OICVJVUJQGLIIP-HHYWAAOESA-N 376.493 4.044 0 1 GIAF O=C(O)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(-c2ccccc2Cl)n1 261083597 CDCDIQLBDRISRK-MRXNPFEDSA-N 394.858 4.218 0 1 GIAF Cc1ccc(CSCCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 586970684 ISCZDQKSFZVLAK-UHFFFAOYSA-N 380.561 4.099 0 1 GIAF O=C(O)c1coc2c1-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586991394 NLUNLZUDQFPITA-UHFFFAOYSA-N 383.359 4.209 0 1 GIAF Cc1cc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Cl 587038360 RMVPMOMPWPKTQC-SNVBAGLBSA-N 387.896 4.272 0 1 GIAF O=C(CCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc(Cl)cn1 587081909 ILSRROGWSXBIMG-UHFFFAOYSA-N 383.814 4.142 0 1 GIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)c(F)c(F)c4[nH]3)cc2N1 587126715 MKJDGPCXZLBQEL-MLUIRONXSA-N 375.276 4.151 0 1 GIAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cccc(F)c3[nH]2)c1 587154418 MYXHKIVLEAMJLE-UHFFFAOYSA-N 385.395 4.309 0 1 GIAF Cc1cc(C)n(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587343830 VOCGFMYDVANNOB-IFMALSPDSA-N 380.419 4.162 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(F)cc(Br)cc1OC)[C@@H](C2)C3=O 587424832 VYCAFFPHKIHYQR-VOJFVSQTSA-N 393.208 4.094 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)([C@@H](C)C(=O)OC)CC2=O 587475612 BECURCSXTUTJPF-LFVRLGFBSA-N 398.455 4.023 0 1 GIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@H](C)C(=O)O 587522206 KIXHNCPSGVUQSI-ZUOKHONESA-N 396.439 4.132 0 1 GIAF CCCn1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587583966 XPBQPLUTPKWLKK-DENIHFKCSA-N 378.428 4.184 0 1 GIAF Cc1[nH]nc2c1[C@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594116 KIAFHOJPJCBQER-CVDCTZTESA-N 390.439 4.253 0 1 GIAF CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(N)cc2O1 587746317 MKJPCZILHNCQLG-APBUJDDRSA-N 389.268 4.244 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc(N)cc32)N1 587749016 ZNXREHNSYDZJNN-WLRWDXFRSA-N 375.285 4.285 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3(CCOCC3)CC2)N1 587833902 IIFQNNQZVGVIMI-YJYMSZOUSA-N 380.301 4.465 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc(O)ccc32)N1 587835153 VMTHDKVAKJMBPH-NSPYISDASA-N 376.269 4.408 0 1 GIAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)Cc3ccccc3C2=O)c(Cl)c1 653738077 IMTQHWXBLDNQNJ-UHFFFAOYSA-N 394.814 4.223 0 1 GIAF O=C(Nc1cnccn1)c1cc(Br)ccc1OCc1ccccc1 1772622595 LKLZGYHYWGYWFP-UHFFFAOYSA-N 384.233 4.070 0 1 GIAF Cc1cccc(NC(=O)Nc2cccc(N3CCc4c(cnc5ccnn45)C3)c2)c1 1772628873 MZXCXIQJRYKENU-UHFFFAOYSA-N 398.470 4.244 0 1 GIAF CN(C)c1ccc(C(=O)Nc2ccc(-c3nnc(O)c4ccccc34)cc2)cc1 1772636114 PDOWPLWTKJLFMU-UHFFFAOYSA-N 384.439 4.321 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(OCC4CC4)c3)C2)cc1 1772640568 KEWGTVMRROKCTQ-BXKMTCNYSA-N 394.515 4.330 0 1 GIAF Cc1cnn(C(=O)N2CCCN(Cc3ccc(Oc4ccccc4)cc3)CC2)c1 1857556968 BGDBWGGBFYWXER-UHFFFAOYSA-N 390.487 4.160 0 1 GIAF C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 2356314166 OAYJGVAWFFIKCD-QBGPZVCGSA-N 382.463 4.109 0 1 GIAF CC(C)C[C@@H]1NC(=O)c2ccc(Cl)cc2-n2c1nc1cc(F)ccc1c2=O 61949371 RUTDAIRTEUCABM-INIZCTEOSA-N 385.826 4.009 0 3 GIAF CCOc1cc2nc(=S)n(CCCN(CC)CC)c(O)c2cc1OCC 253497294 SWOFHWRKBSLTBZ-UHFFFAOYSA-N 379.526 4.001 0 3 GIAF CN(C)CCn1cc(S(=O)(=O)c2cccc3ccccc23)c2ccccc21 3927123 NEDCXGJXFFJREP-UHFFFAOYSA-N 378.497 4.189 0 1 GIAF CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1C(=O)OC(C)(C)C 13533587 YOWWMLXWAWBJLP-UHFFFAOYSA-N 381.469 4.410 0 1 GIAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCC(c2ccccc2Cl)CC1 13560160 QGNJCJCADQNVJR-UHFFFAOYSA-N 388.939 4.229 0 1 GIAF CN(CCc1ccccc1)C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651082 DPVWHNMPIGSQMD-DEOSSOPVSA-N 385.507 4.463 0 1 GIAF CC(=O)OC/C=C1\CC[C@@H](O)[C@](C)(CCC[C@@H](C)C(=O)CC=C(C)C)OC1 27880634 HOQFDBCFVFEXGM-GYOGCVQMSA-N 380.525 4.138 0 1 GIAF O=C1CSC(=O)N1CCCCCCCCNC[C@H]1CCc2ccccc2O1 35907396 PAIJZQABGSYWKN-GOSISDBHSA-N 390.549 4.006 0 1 GIAF Cc1ccc2c(c1C)CN(C(=O)N(C)CCCN(C)C)C[C@@H]2c1ccccc1 38156040 RLYICDBCHGJISR-HSZRJFAPSA-N 379.548 4.254 0 1 GIAF O=C(O)c1ccc(CN2CC[C@@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 51076726 FLTUKLWFAMDSTP-CQSZACIVSA-N 389.377 4.269 0 1 GIAF biogenic Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(Br)cc3)sc2n1 70454757 CPMIRWQTHZKZHM-UHFFFAOYSA-N 390.306 4.188 0 1 GIAF CCCc1nc2c(NCc3ccc(C)cc3)ncnc2n1CCc1ccccn1 82179366 INEWJPPWHCEDSZ-UHFFFAOYSA-N 386.503 4.337 0 1 GIAF COCCn1c(-c2ccsc2)nc2c(NCc3ccccc3C)ncnc21 82180258 VWUPZPDFMPKFIQ-UHFFFAOYSA-N 379.489 4.122 0 1 GIAF Cc1cnc(N2C[C@H](C)O[C@@H](C)C2)nc1NCc1cccc(C(F)(F)F)c1 82204223 DYCCTOAZJOCMNS-KBPBESRZSA-N 380.414 4.030 0 1 GIAF Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2cccnc2)s1 96927960 ZLBVVUMOZWDVAU-UHFFFAOYSA-N 377.469 4.263 0 1 GIAF O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3ncccc31)c1ccccc1CO2 100040367 DUYKMRMSRGYNJF-GIJQJNRQSA-N 383.407 4.154 0 1 GIAF COc1cccc(NC(C)(C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)c1 142299604 BQDBDCYGWMFDMW-UHFFFAOYSA-N 381.461 4.010 0 1 GIAF Cc1cc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2F)cc(C)n1 142987481 XRJFYSYVAPTXDH-UHFFFAOYSA-N 380.301 4.159 0 1 GIAF O[C@H](c1ccccc1)[C@H]1CN(CCc2ccccc2)CC[C@@]1(O)c1ccccc1 169294430 GCIDVMBGOFFCEG-TWJOJJKGSA-N 387.523 4.172 0 1 GIAF Cc1cc(F)ccc1-c1nc(-c2ccc3c(c2)[nH]c(=O)n3CCN(C)C)cs1 299824037 DRVJREDYPZEZTE-UHFFFAOYSA-N 396.491 4.129 0 1 GIAF Cc1nccc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc12 587028208 WQNCKTIJDJYLQR-NJAFHUGGSA-N 380.517 4.403 0 1 GIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cc2N1 587127287 VJMFSPORWSVCBC-XNCJUZBTSA-N 391.184 4.436 0 1 GIAF CC(C)Oc1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2c1 587160976 JQASNJRQCMWFBJ-UHFFFAOYSA-N 385.830 4.449 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2c1 587242646 WRFVYANCHHPVHF-UHFFFAOYSA-N 399.516 4.398 0 1 GIAF C[C@@H]1[C@H](CC(=O)O)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351116 JFLIWUFATLSPLS-PKIYVQOPSA-N 384.403 4.150 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(F)cc3)nc3ncccn13)O2 587384021 IYCOBTFJGZCOQP-SFHVURJKSA-N 388.402 4.133 0 1 GIAF COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc(Cl)s1)[C@@H](C2)C3=O 587450185 HWIDINPQFCHVAB-HXPMCKFVSA-N 392.860 4.308 0 1 GIAF COc1cccc(-c2nc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cs2)c1 587451468 OKWZMJMUFRYBEY-QRWLVFNGSA-N 379.437 4.316 0 1 GIAF COc1cc2c3c(c1)O[C@]1(/C(=C/c4ccccc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587454749 WYQMTTQWQLGTOO-FVPNRCGWSA-N 398.414 4.477 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2=O 587479719 UQWDSOJOPUXOCT-UHFFFAOYSA-N 375.465 4.080 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCNCC2)Oc2ccccc21 587482756 JBRRIYJAGPBXFQ-XMMPIXPASA-N 393.483 4.110 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)Oc1ccc3c(c1)OCO3)CC2=O 587491718 PGGIOWBBVFECOQ-WHEQGISXSA-N 384.428 4.265 0 1 GIAF CC(C)(C)OC(=O)[C@@]1(C2=COCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587534936 HBRQMHTZKCSICD-QHCPKHFHSA-N 384.472 4.305 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccccn2)(c2ccccn2)N1 587770378 JBRUTMFJDWTTSO-CYBMUJFWSA-N 398.279 4.204 0 1 GIAF C[C@@H]1COc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587836376 TYRZJSOMOHUMKC-HNYWDRBLSA-N 376.269 4.395 0 1 GIAF COC(=O)c1csc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587846084 GMDNEVLXKIDCJJ-VVVCHXIZSA-N 398.297 4.234 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)nn1CC 587859686 HAPHARCWMQCRFQ-UHFFFAOYSA-N 393.274 4.469 0 1 GIAF O=C1CC[C@]2(CCN1Cc1ccccc1)c1c(F)cccc1C[C@H]1CCCN12 963100948 JBLYYNPURIEKBN-YKSBVNFPSA-N 378.491 4.254 0 1 GIAF CC1=C(Oc2ccccc2)[C@@]2(NCCc3ccc(O)cc32)c2ccc(O)cc2O1 963342655 RDIMSPYWYNOFHF-XMMPIXPASA-N 387.435 4.190 0 1 GIAF Cc1sc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1-c1cccc(O)c1 1857744517 CAKZVYQMTIWDJD-UHFFFAOYSA-N 394.452 4.223 0 1 GIAF CC(=O)OC[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(C)=O)CC[C@@]43C)[C@H]1CCC2=O 2356561340 ZBCIPAKSRPXBDL-AFJIZLHOSA-N 390.520 4.073 0 1 GIAF O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 12195112 JSTHCNBJOWNOBT-LJQANCHMSA-N 399.498 4.204 0 3 GIAF CCCNC(=O)[C@@]1(C)CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 61926085 WPTXKUVCNXVBEI-IBGZPJMESA-N 377.941 4.202 0 3 GIAF CC(C)(C)c1noc(-c2ccsc2)c1C(=O)N[C@@H](CO)Cc1ccccc1 775737 UXCYAVLZKNTRRU-MRXNPFEDSA-N 384.501 4.034 0 1 GIAF CCCNc1[nH]c(C(=O)c2ccccc2)c(N)c1C(=S)Nc1ccccc1 6380544 NGIGQDZTCRINKD-UHFFFAOYSA-N 378.501 4.437 0 1 GIAF O[C@@]12CCCC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N(Cc1cccc(F)c1)CC2 6576855 ORZUIMGMXAQGPX-WWPVKYPJSA-N 383.463 4.423 0 1 GIAF COc1cccc(CN2C(=O)c3ccccc3[C@@H](C(=O)O)[C@@H]2c2ccsc2)c1 7007240 HVZHRGIRHPMNOQ-UXHICEINSA-N 393.464 4.322 0 1 GIAF CCN1CC[C@H](CN(C)Cc2c[nH]nc2-c2ccc3cc(OC)ccc3c2)C1 11663634 XIPCNGNRUZFWBI-QGZVFWFLSA-N 378.520 4.012 0 1 GIAF CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)c2ccc(-c3ccco3)cc2)C1 11873514 AZCGWDRVDSNLGQ-QFIPXVFZSA-N 389.499 4.468 0 1 GIAF COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([C@@H](C)O)cc2)cc1 13557967 QDZKFVOGGMEKES-OAHLLOKOSA-N 390.439 4.253 0 1 GIAF CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)COc1ccccc1 35190721 GTGUOPSEZDDPFM-UHFFFAOYSA-N 383.879 4.228 0 1 GIAF COc1cc(Nc2cncc(Oc3ccc(C(C)=O)cc3)n2)cc(OC)c1OC 40939199 XUWADPNJQFVSNJ-UHFFFAOYSA-N 395.415 4.241 0 1 GIAF COC(=O)c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(Cl)c2Cl)cc1 45324828 HIIZCRRNCSZKGL-YVEFUNNKSA-N 382.287 4.034 0 1 GIAF CCOC(=O)N1c2ccccc2N([C@H](Cc2ccccc2)C(=O)OC)C[C@H]1CC 58509327 FLCQLSGXRGOKDJ-WIYYLYMNSA-N 396.487 4.032 0 1 GIAF Cc1ccc(N(O)C(=O)NCCCCNC(=O)Nc2ccccc2Cl)cc1 68586741 JSFLWXYEDIKVLF-UHFFFAOYSA-N 390.871 4.156 0 1 GIAF biogenic CCCCCCC1=NO[C@@H]([C@@H](c2cc[nH]c2)N(C)[C@H](C(=O)OC)C(C)C)C1 73258077 YRPLDGBUZAZOCH-HSALFYBXSA-N 377.529 4.301 0 1 GIAF CC(C)CN(C)c1ncc(C(=O)NCc2ccccc2)c(-c2ccccc2F)n1 82152204 NGQXDWAQIWXWSW-UHFFFAOYSA-N 392.478 4.305 0 1 GIAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@H](OC(=O)c2ccccc2)CC1 101507578 UJRZVCXNABEDEE-AOZBFSTRSA-N 396.531 4.423 0 1 GIAF Cc1cc(F)ccc1-c1cccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)n1 203895011 HJCJAMVTUNGUKB-NRFANRHFSA-N 392.430 4.450 0 1 GIAF OCC[C@@H](NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 204406246 VNQJWSWTPGQIFE-LJQANCHMSA-N 387.405 4.376 0 1 GIAF O=S(=O)(c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1)C(F)(F)F 586884035 NMFZLHJPXOBTDQ-BWCYYRKRSA-N 384.423 4.324 0 1 GIAF CCCCCOc1cc2nc([C@H](O)C3CCOCC3)[nH]c2cc1Br 586913083 HXGMLNOREPOOMG-QGZVFWFLSA-N 397.313 4.354 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1 586950751 LBBVBYLYJUJKJK-UHFFFAOYSA-N 389.786 4.274 0 1 GIAF Fc1cnc(Cl)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 586997976 FQFYQHNEIFCDKK-OWOJBTEDSA-N 396.603 4.412 0 1 GIAF COC(=O)c1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587011833 DBWHZZWBQDKIAU-UHFFFAOYSA-N 378.251 4.113 0 1 GIAF O=C(O)c1cc(Br)cc2nc(CNc3ccccc3Cl)[nH]c12 587060173 DAEQKBNYODXIBC-UHFFFAOYSA-N 380.629 4.289 0 1 GIAF CCOC(=O)C[C@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096317 CKVOKSGPTXSUEM-GOSISDBHSA-N 387.435 4.380 0 1 GIAF CC(C)[C@H](c1nc2cc(Br)ncc2[nH]1)N(C)C(=O)OC(C)(C)C 587198075 SLRJGKOZUPWIPT-CYBMUJFWSA-N 383.290 4.284 0 1 GIAF COc1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1OC 587218187 GNPYITPYVIEBRJ-NRFANRHFSA-N 387.439 4.100 0 1 GIAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587225709 RTVKJYORTMLCQU-INIZCTEOSA-N 387.439 4.439 0 1 GIAF Nc1cccc2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336638 NXUVDQWJPCKCCU-GMAHTHKFSA-N 375.399 4.314 0 1 GIAF CCOC(=O)[C@@]1(c2cccc3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587400131 NYZUBPQXPKWIRI-QHCPKHFHSA-N 375.424 4.154 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(Br)c1F)[C@@H](C2)C3=O 587426160 LWYNOSWLLMIVSD-KPZWWZAWSA-N 377.209 4.260 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)cc1F)[C@@H](C2)C3=O 587426692 PFBAFNGMLARYCR-UGSOOPFHSA-N 377.209 4.260 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1nc(-c4ccc5c(c4)OCO5)cs1)[C@@H](C2)C3=O 587448670 AZFVTNNSSQDDTL-RBZFPXEDSA-N 393.420 4.036 0 1 GIAF CCC[C@@]1(c2c(C)n[nH]c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589431 OKQQXWIPCXIMSA-UGKGYDQZSA-N 378.428 4.389 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccccc2Cl)N1 587693557 DUMMRWQRXRKPCX-QGHHPUGFSA-N 384.676 4.012 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2c2cncnc2)N1 587777987 KNQXJRYPOINBOA-PEELUZDISA-N 390.300 4.466 0 1 GIAF CC/C=C/CCOC(=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790759 GITXFISSRZHUGF-FCIRNVEESA-N 384.289 4.237 0 1 GIAF CCOc1ccc(C(=O)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587800010 DMAHDFRTSFTDDD-ADLMAVQZSA-N 392.268 4.445 0 1 GIAF COCc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587801718 NETHRIHWNZPOPF-JEOXALJRSA-N 394.284 4.367 0 1 GIAF COc1cc(OC)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587806263 HEEREHZVGANGAB-XTZNXHDOSA-N 380.257 4.229 0 1 GIAF COc1cc2c(cc1OC)[C@]1(CCN(Cc3ccccc3)C[C@H]1C)N(C)[C@H](C)C2 962563446 GHFYYWZDNGNBIY-MPCDZSKCSA-N 394.559 4.318 0 1 GIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc3cc[nH]c3c2)N1 962690470 ANFISYSCNIQMSA-SJORKVTESA-N 378.325 4.014 0 1 GIAF NCCc1ccc([C@]2(c3ccoc3)c3c(F)cccc3C[C@H]3CCCN32)s1 963115542 VRMHDKLRLLXOMD-VGOFRKELSA-N 382.504 4.294 0 1 GIAF Nc1ncccc1[C@]1(c2cc(F)cc(F)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963117198 XUYZKAGUOOQGOI-CVDCTZTESA-N 395.428 4.394 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]21CCC[C@H](NC(=O)OC(C)(C)C)C1 963268981 CPLSKAVPSXNBBE-RNODOKPDSA-N 380.916 4.157 0 1 GIAF Cc1ccc(Nc2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)cn1 1772574122 HGTKKOVDSJYKMI-CQSZACIVSA-N 387.447 4.288 0 1 GIAF CNC(=O)Cn1nc(C(F)(F)F)c2c(-c3ccccc3)c3ccccc3nc21 1772644401 PQXSOIVIQISDNQ-UHFFFAOYSA-N 384.361 4.016 0 1 GIAF O=C(CC(=O)Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1)Nc1ccccc1 1857605726 KQCJRCDLCPYOHF-ZRDIBKRKSA-N 397.438 4.096 0 1 GIAF CN(C)C(=O)c1cccc(-c2cn3c(-c4ccc5ncccc5c4)cnc3cn2)c1 1857619937 JPKQIRYVCSIMTN-UHFFFAOYSA-N 393.450 4.313 0 1 GIAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H](COc1ccc3ccc(=O)oc3c1)[C@@]2(C)O 2356483176 ZMOPWHIELRYMND-BVZTZJLFSA-N 398.499 4.344 0 1 GIAF CCCCN1C(=O)C2=C(c3ccc(OC)cc3)Nc3ccccc3CN2C1=O 95599487 QMEWHUMJOIVLPX-UHFFFAOYSA-N 377.444 4.054 0 3 GIAF O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1cc(F)ccc1C2)c1ccc(Cl)s1 28348012 WXZPJLSSIKLDLT-XWCIJXRUSA-N 385.913 4.013 0 1 GIAF COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3[C@@H](C)C(=O)O)cc2)cc1 45321352 XORCBTCEBZUVES-OAHLLOKOSA-N 396.464 4.383 0 1 GIAF CS(=O)(=O)c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1F 66100825 PQNRFXDSHVSCPP-UHFFFAOYSA-N 393.443 4.144 0 1 GIAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2ccc(F)cc2)C1 82140745 MOWYTHHCHPIFDB-HOTGVXAUSA-N 382.483 4.001 0 1 GIAF CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2)c(-c2ccc(F)cc2)n1 82141204 ZIPQUYVIUXDEHL-OAHLLOKOSA-N 378.451 4.423 0 1 GIAF Cc1cc(C)c(S(=O)(=O)c2ccc(I)cc2)c(C)c1 95594765 KCYSAZMPGMDPMW-UHFFFAOYSA-N 386.254 4.049 0 1 GIAF Cc1cc(Nc2ccc3nc(C)cc(N)c3c2)nc(N[C@@H](C)CCCN(C)C)n1 169308344 HYOHIKTYHWSZKP-AWEZNQCLSA-N 393.539 4.110 0 1 GIAF Cc1ccc(C2=C(C#N)C(=O)N[C@@](C)(c3ccc(Br)cc3)C2)cc1 224555288 YZGPANYHTPCLCP-HXUWFJFHSA-N 381.273 4.470 0 1 GIAF O=S(=O)(O)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587015707 INVLVYBCCLLTMG-UHFFFAOYSA-N 391.861 4.254 0 1 GIAF FC(F)(F)c1cncc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587115193 HQWMZAOSYKISSC-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF COc1cc(-c2nc3c(C)ccnc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144094 PCLAVEDYTSMVCP-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF O=C(/C=C/c1nc2cc(Br)c(F)cc2[nH]1)Nc1ccc(F)cc1 587166787 IZXSSBRRJDVDQJ-AATRIKPKSA-N 378.176 4.256 0 1 GIAF Nc1ccc2c(c1)[C@@]1(C=CO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336494 NORJNQGTMHDOCI-JTHBVZDNSA-N 389.382 4.274 0 1 GIAF CC[C@]1(c2c[nH]ccc2=N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338762 RLQGOUSHFDSYIZ-IFMALSPDSA-N 378.403 4.003 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1sc4nc(C)c(C)c(C)c4c1N)[C@@H](C2)C3=O 587449470 AQVZORAVVHJZBG-RCDICMHDSA-N 394.496 4.475 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1C)CC2=O 587478825 TYTKVOFMYNFGFQ-JLCFBVMHSA-N 389.492 4.326 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cc1ccccc1)C(=O)OCC)CC2=O 587480528 KYVGGCNPGPVUOZ-NTKDMRAZSA-N 396.483 4.491 0 1 GIAF Cc1nc(O)c(Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544485 DUDSAVNLWLMLNN-UWJYYQICSA-N 397.814 4.332 0 1 GIAF CCCn1ncc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587583969 XPBQPLUTPKWLKK-UGKGYDQZSA-N 378.428 4.184 0 1 GIAF Cc1cc(C(=O)O)sc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614343 RYDAITCKVQDXCS-YJBOKZPZSA-N 382.393 4.163 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3ccc(F)cc32)N1 587727783 DJGGFKIHBQOZAK-XTZNXHDOSA-N 380.232 4.288 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-n3ccnc3)c2)N1 587757012 UCGMFNJCRCZPLE-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(c3ccccc3)C2)N1 587770746 TWTDIZRXDYBADJ-YJYMSZOUSA-N 375.285 4.228 0 1 GIAF COc1cc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587770911 KOPZVWOOLDXDCW-MGNBDDOMSA-N 379.273 4.232 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3ccccc3n2)N1 587779415 SEDFRRZSRUJBLH-JEOXALJRSA-N 386.268 4.329 0 1 GIAF O=C(O)c1cc(Br)cc2nc(COC/C=C\c3ccccc3)[nH]c12 587781114 PQQQVZAXSQBDGP-DAXSKMNVSA-N 387.233 4.254 0 1 GIAF COc1ccc(-c2cccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2)cc1O 587787190 RGPIFGFVVLWIMZ-UHFFFAOYSA-N 378.359 4.448 0 1 GIAF COc1ccc2[nH]nc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2c1 587791152 FOCPBLGERMHOMQ-XLFHBGCDSA-N 390.256 4.097 0 1 GIAF CCOC(=O)[C@@H]1[C@H](C)CC=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587792758 CQRTWXJGLXJMKF-JFVXACQESA-N 396.300 4.093 0 1 GIAF CCSc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C 587842382 FGMHBMKPRJCEOM-RFAUZJTJSA-N 384.318 4.057 0 1 GIAF COc1ccc(C[C@H](C)c2nc3c(Br)ccnc3[nH]2)cc1OC 587925101 AMIJPVGUKNJZIJ-JTQLQIEISA-N 376.254 4.084 0 1 GIAF O=C1OCC[C@H]1Oc1cccc([C@H]2NCCc3cccc(-c4ccccc4)c32)c1 962666400 MAYXUXIIQPIYHN-ISKFKSNPSA-N 385.463 4.283 0 1 GIAF CN1C(=O)C[C@H]2CN[C@]3(CCC=C3CSc3ccccc3)c3cccc1c32 963033764 UOIHMABZXGZFQH-HJPURHCSSA-N 376.525 4.448 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1ccc(Br)s1 963611954 RGJRVOJUHILBON-BTDLBPIBSA-N 382.323 4.326 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](C[C@H]1CCCN(Cc3ccccc3)C1)C2 1772622098 LKYMOSKDWXXCSI-UYAOXDASSA-N 379.500 4.361 0 1 GIAF O=C(c1cc(Sc2ccccc2O)c(O)cc1O)N1Cc2ccccc2C1 1857635221 DRKMNCVJYMOBFE-UHFFFAOYSA-N 379.437 4.111 0 1 GIAF CC1=C[C@H](CNC(=O)c2ccco2)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 2356369000 OLQWYJJBUJQEHD-NSHGMRRFSA-N 386.536 4.313 0 1 GIAF CCOc1c2ccc(C(=O)NCC34CC5CC(CC(C5)C3)C4)cc2nn1CC 8762972 LZLRFDARDMDPRO-UHFFFAOYSA-N 381.520 4.401 0 3 GIAF Cc1ccc(CNC(=O)CC[C@H]2CCCN(Cc3cccc4cccnc34)C2)o1 12315670 IRUNKAFOIOTZLV-LJQANCHMSA-N 391.515 4.445 0 3 GIAF CSCC[C@H](C(=O)NC1CCCC1)n1c(-c2ccncc2)nc2ccccc21 95604625 QRCFBYYSPMEKRA-HXUWFJFHSA-N 394.544 4.451 0 3 GIAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774709 AIAKZPLMEZOQMN-LRDDRELGSA-N 388.851 4.392 0 1 GIAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@](C)(O)[C@@H]2COc1ccc2ccc(=O)oc2c1 8236770 KWFSFXRPFGONDD-XUFREYRYSA-N 398.499 4.344 0 1 GIAF biogenic COc1ccccc1N1CCN(CC[C@@H](O)c2ccc3ccccc3c2)CC1 13861793 XDJFULURKYWPBY-HSZRJFAPSA-N 376.500 4.094 0 1 GIAF Cc1ccc(F)cc1C[C@H](N)COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1 14961691 QYMKAFLUGMIEQN-FQEVSTJZSA-N 390.462 4.330 0 1 GIAF CN(C)[C@@H](CNC1CCN(c2cccc(-c3ccco3)c2)CC1)c1ccccn1 23399337 JAMTYIUXNPYPEG-QHCPKHFHSA-N 390.531 4.203 0 1 GIAF C[C@@]1(c2ccccc2)Cc2c3c(c(Cl)c(Cl)c2C1=O)O[C@H](C(=O)O)C3 28002612 VAIJWKARKIGGET-BUXKBTBVSA-N 377.223 4.078 0 1 GIAF COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 35312990 BDANUBWUGZXPFB-OAHLLOKOSA-N 385.439 4.025 0 1 GIAF O=C(O)CC[C@@]1(c2ccncc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 49013837 JIXUFNPVCLBVDU-FQEVSTJZSA-N 387.867 4.166 0 1 GIAF COc1cc2ncnc(N(C)c3ccc(C)c(Br)c3)c2cc1OC 64446791 XLRSFDZCNCCCBY-UHFFFAOYSA-N 388.265 4.486 0 1 GIAF O=C(Cc1ccc(Cl)cc1)N1CCC(c2nc(-c3cccs3)no2)CC1 71317139 LNIYUSLFEVYKIK-UHFFFAOYSA-N 387.892 4.400 0 1 GIAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1C[C@@H](O)CN1C(=O)c1nccs1 72176837 XNSZTLNSVWTRSI-CRAIPNDOSA-N 399.903 4.115 0 1 GIAF O=C(NCC1CC1)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccco1 82216524 IMDAPDXJEJKSOX-UHFFFAOYSA-N 396.878 4.184 0 1 GIAF O=C(NC1CCCCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccc(F)c2)cc1 100106611 QTIGZDPUDXFQRQ-NUNAXRQHSA-N 393.506 4.275 0 1 GIAF O=C(c1ccc(C(=O)N2CCCc3ccccc32)cc1)c1cnc2ccccn12 115954322 DIONXHCXPVUSIO-UHFFFAOYSA-N 381.435 4.158 0 1 GIAF CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCOCC(=O)OCC 169316653 QCBUKOJAWVDYGH-GRPSDVDKSA-N 396.568 4.465 0 1 GIAF COc1ccccc1N1C(=O)CS[C@H]1c1cccc(C(=O)N2CCCCC2)c1 169342687 BKRHIBBUYIEXLF-QFIPXVFZSA-N 396.512 4.100 0 1 GIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2cc(F)ccc2F)n1 203892394 BBQYLNIZLMRWEN-FQEVSTJZSA-N 396.393 4.281 0 1 GIAF O=C(C1CCCCC1)N1CCC([C@H](O)C[C@H]2c3ccccc3-c3cncn32)CC1 205763393 FDUHADIZUWTWAZ-JTHBVZDNSA-N 393.531 4.023 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@@H](O)[C@]12C 253995323 KXGVEGMKQFWNSR-HLRHLQFISA-N 392.580 4.478 0 1 GIAF O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc(Cl)cc1 299841233 YRVIGHJJUXNRKW-UHFFFAOYSA-N 389.842 4.356 0 1 GIAF CCCCC/C=C\C[C@@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)OC(CO)CO 535385370 OKCHDUJPLFYNPT-XREOJQHFSA-N 394.552 4.240 0 1 GIAF in-vitro COC1=C(Br)c2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586987008 XGCFXRAFLQJWBW-UHFFFAOYSA-N 394.224 4.418 0 1 GIAF Nc1cc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c2ccccc2c1 587252589 ZXSSQLZVQAIGMJ-UHFFFAOYSA-N 382.427 4.025 0 1 GIAF C[C@@]1(c2ccc(N)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331555 DOJSUNWPAJEEIY-IRLDBZIGSA-N 379.387 4.093 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(I)cc1F)O2 587387278 PUJJYORTSZRZCL-OAHLLOKOSA-N 397.187 4.027 0 1 GIAF CCS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532815 PMOQJPXBZMYXAA-JOCHJYFZSA-N 384.497 4.240 0 1 GIAF COCCn1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587575680 GHQWONRJLUSORN-REWPJTCUSA-N 393.439 4.160 0 1 GIAF C=C1C=C(C)n2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc2N1 587586187 JEWBENDIVCEXIV-RXVVDRJESA-N 387.395 4.092 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccncc1)c1ccccn1 587586856 KKHIOAZQTGNROS-ZJSXRUAMSA-N 396.402 4.088 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C[C@@H]1CCCCC12OCCO2 587606421 CJKYWWLZXOVUKV-YSSFQJQWSA-N 396.439 4.046 0 1 GIAF COc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)nn1C 587760581 YXWSLCCIKMWBRR-QGHHPUGFSA-N 396.304 4.077 0 1 GIAF COCCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587791337 HMWPKTXZHQVLSO-BLVKFPJESA-N 394.284 4.237 0 1 GIAF CCOC(=O)C[C@@]1(CC2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799303 RROFLNCBRKJZEE-HXPMCKFVSA-N 398.316 4.461 0 1 GIAF COC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587828208 MUNDNWBFNLPCGO-NIVTXAMTSA-N 396.256 4.074 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Cl)s2)N1 587852525 GVZJYZFNUFJOPH-WJWGPLDTSA-N 375.694 4.496 0 1 GIAF Oc1cc(-c2ccco2)c(O)n1-c1nn(COc2ccccc2F)cc1Cl 587946821 XMTVMXCLKOUVST-UHFFFAOYSA-N 389.770 4.174 0 1 GIAF CC(C)(CC(=O)O)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587955213 IDFDXOSFAUADAG-UHFFFAOYSA-N 395.175 4.267 0 1 GIAF COc1ncccc1-c1ncccc1CN1CCN(c2cccc(C)c2C)CC1 621476357 GSUKVQXSFSUWRQ-UHFFFAOYSA-N 388.515 4.091 0 1 GIAF C=CN1CC[C@@H]([C@]2(c3ccccc3)c3cc(OC)ccc3CCN2C(C)C)C1=O 962090471 LCRKRAZXPDDWSK-RCZVLFRGSA-N 390.527 4.197 0 1 GIAF COc1ccc2c(c1OC)[C@@](C)(c1cc3ccccc3nc1O)N(C)[C@H](C)C2 962633619 KHODSJSGADNVDY-QKFKETGDSA-N 378.472 4.098 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@H](c2c(F)cc(F)cc2Cl)N1)C(F)(F)F 962728232 DANMPIDRTYGODP-UKRRQHHQSA-N 375.724 4.353 0 1 GIAF CCCOc1ccc([C@@]2(c3cccc(OC)n3)NCCc3ccc(O)cc32)cc1 963329665 QKPWRFPBQIMEDA-XMMPIXPASA-N 390.483 4.022 0 1 GIAF O=C(COc1ccccc1Cl)Nc1cc(-c2nccs2)ccc1C(=O)O 1857570712 DVRJELPWSOJIOD-UHFFFAOYSA-N 388.832 4.179 0 1 GIAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC 4207479 IQSONPCLZDUUSP-ICSRJNTNSA-N 386.879 4.357 0 1 GIAF CCCOc1ccc(-c2cccs2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 12360790 DJDGIMIMAXMVTM-UHFFFAOYSA-N 380.473 4.149 0 1 GIAF COc1cccc(CN(CCCN2CCC2)c2cc(-c3ccccc3)no2)c1 13437443 CRHZSILAPKOIJS-UHFFFAOYSA-N 377.488 4.453 0 1 GIAF CC(C)(C)n1ncc2c(=O)n(Cc3ccccc3SC(F)(F)F)cnc21 13831294 UMCCHLGUNXXPHR-UHFFFAOYSA-N 382.411 4.008 0 1 GIAF O=C(NCc1ccc(Cl)cc1Cl)c1cc(-c2ccncc2)nnc1Cl 25965317 FYKVJUPSXGTEJZ-UHFFFAOYSA-N 393.661 4.429 0 1 GIAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cn(C(C)C)c2c1 43014052 KWLMCAABGJTLFD-UHFFFAOYSA-N 383.444 4.488 0 1 GIAF O=C(Oc1ccc(Cl)cc1)N1CCN(Cc2ccc3ccccc3n2)CC1 49054658 YSBLIXSPAOEYEF-UHFFFAOYSA-N 381.863 4.205 0 1 GIAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1cncnc1 72175947 JRHLVCCOBYWPEE-HXUWFJFHSA-N 378.863 4.478 0 1 GIAF O=C([C@@H]1COC2=C(C=C=CC2)O1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 95559200 NOIAVZKNIYIVJV-REWPJTCUSA-N 384.435 4.106 0 1 GIAF CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1CC21CCC(F)(F)CC1 169708597 SXMJPJIGFLAOJZ-QGZVFWFLSA-N 382.252 4.185 0 1 GIAF O=C1CC[C@H](/C=C/[C@@H](O)CCCCCC=C(Br)Br)O1 198354537 MZAQGPQBEPVOJJ-BRQSLIGTSA-N 396.119 4.191 0 1 GIAF CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(C(N)=O)co1 223341779 CYVIEWNUJMMHBA-UHFFFAOYSA-N 394.460 4.009 0 1 GIAF CCN(CC)CC[C@H](C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 299862230 JLEPEBSBJCWJFQ-HNNXBMFYSA-N 388.537 4.092 0 1 GIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccccc5)CC4)[C@H]3C=C12 504269162 ATTPURVGODAPOY-NTNMUZRVSA-N 392.543 4.043 0 1 GIAF biogenic CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(CCO)cc2[nH]1 586995447 HHQUQZZYXNMQCU-UHFFFAOYSA-N 375.266 4.174 0 1 GIAF Cc1cc(Br)cc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c12 587175654 XAGLLGBPTGEJDZ-AWEZNQCLSA-N 387.256 4.497 0 1 GIAF C[C@H](O)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371683 COVZZLTWVBZRDS-VYAXVDJTSA-N 384.428 4.228 0 1 GIAF COc1cccc(Br)c1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587378262 TVZUKPSTGCRUDW-SFHVURJKSA-N 376.250 4.229 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cnn(-c4cc(C)ccc4C)c1C)[C@@H](C2)C3=O 587432973 UCXRJUBQLBMULC-UUOWRZLLSA-N 388.467 4.469 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)O)n(C)c3ccccc13)CC2=O 587471529 SVPKHPKGQBSPTD-GOSISDBHSA-N 379.412 4.241 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1ccc(OC)cc1)CC2=O 587485094 YYCRXXRTXVLUEF-QHCPKHFHSA-N 398.455 4.469 0 1 GIAF CCCCn1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587582600 QDTWPOSDQHNYEN-DENIHFKCSA-N 378.428 4.400 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2nc1O 587588350 SWWUNIOKXSYPOZ-UGKGYDQZSA-N 385.375 4.349 0 1 GIAF COc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587594181 MZOVKYPLSJQKDK-NZQKXSOJSA-N 392.407 4.421 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cnn2CCF)N1 587716921 KJOMMUPAGQZKDY-RTHLEPHNSA-N 390.659 4.031 0 1 GIAF CCOC(=O)C[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587792739 CPRWONKSYSEOHR-SPKLELGKSA-N 398.316 4.461 0 1 GIAF Cc1cc(C(=O)O)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587826435 KVEBPLSMCCSSBS-BTDLBPIBSA-N 378.241 4.218 0 1 GIAF O=C(NCCF)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 653704199 NMMWAXJZOIOBFL-UHFFFAOYSA-N 387.418 4.135 0 1 GIAF CCOC(=O)[C@@H]1CC[C@@]2(c3ccsc3CCN2Cc2cccnc2)[C@H](C)C1 962994424 DDBTXONVZZJVFC-CDMIOBSGSA-N 384.545 4.396 0 1 GIAF COc1ccc2c(c1)[C@](C)(c1nnn(-c3cccc(Cl)c3)c1C)N[C@@H]1CC[C@@H]21 962999672 ZBXPTIQAENGGBH-CZTZKLFOSA-N 394.906 4.350 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(-c3ccsc3)o2)N1 963228125 NBSLHZFUOSRSDL-YLJYHZDGSA-N 376.437 4.245 0 1 GIAF COc1ccc(Cl)c2c1CCNC21CCN(c2nc3ccccc3o2)CC1 963268931 BHLPWUCYXRTQQL-UHFFFAOYSA-N 383.879 4.131 0 1 GIAF O=C(NCCc1ccccc1)c1cc2c(OC3CCNCC3)cccc2s1 1857538673 BMTPUCFGNYQYEL-UHFFFAOYSA-N 380.513 4.005 0 1 GIAF COc1ccc(CCn2cnc3c(NCc4ccccc4Cl)ncnc32)cc1 1857639521 PVHWDJGNOVQUHM-UHFFFAOYSA-N 393.878 4.343 0 1 GIAF C=CC(=O)NCCOc1cccc2[nH]c(-c3n[nH]c4cc(C(F)F)ccc34)cc12 1911578803 OBBVIHVLZBQAGF-UHFFFAOYSA-N 396.397 4.330 0 1 GIAF C[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)[C@@H](c1ccccc1)N1CCOCC1 25330260 FPKAXAANJAYIHC-ZXDFIECXSA-N 386.580 4.417 0 3 GIAF O=C(NCCCN1CCOCC1)c1c(-c2ccccc2)sc2ccccc12 61947980 GSLQHTRUKJYQOS-UHFFFAOYSA-N 380.513 4.020 0 3 GIAF CC1(C)CC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC(C)(C)N1 1488955 QQJUCFIPZAVTEU-UHFFFAOYSA-N 394.498 4.210 0 1 GIAF C[C@@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(C(=N)N)c(F)cc3[nH]2)c1O 5890341 CMCDWLMEDRBWIR-DIFFPNOSSA-N 382.439 4.316 0 1 GIAF O=C(Nc1ccc(Br)cc1)c1scnc1CCc1ccncc1 14946565 INSHFSYSJAHGNC-UHFFFAOYSA-N 388.290 4.338 0 1 GIAF O=C1CS[C@H](c2c(F)cccc2Cl)N1c1cccc(Br)n1 27625668 GHPFXCJPKKEVRD-CQSZACIVSA-N 387.661 4.415 0 1 GIAF COc1ccc(C[C@@H]2c3cccc(Br)c3CCN2C)cc1OC 28460995 CIBHOXXTDABFSQ-QGZVFWFLSA-N 376.294 4.238 0 1 GIAF COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)CCCC4)cc1OC 28948911 DBRVWBZGEZQYNR-UHFFFAOYSA-N 388.514 4.065 0 1 GIAF C[C@H]1C[C@H](C)CN(C(=O)c2ccc(CSc3nc4cc[nH]cc-4n3)cc2)C1 102348773 GHKMMLSMKXRDLD-GJZGRUSLSA-N 380.517 4.320 0 1 GIAF O=C(CCCN1CCC(O)(c2ccccc2Cl)CC1)c1ccc(F)cc1 146362602 URKFGKZMXFFFIT-UHFFFAOYSA-N 375.871 4.426 0 1 GIAF O=C(O)C1=C(C(=O)Nc2scc(C3CC3)c2-c2nc(C3CC3)no2)CCC1 147083840 PKRAOYYTTOXGHM-UHFFFAOYSA-N 385.445 4.057 0 1 GIAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCCCc2nc(N)sc21 220883417 NVNUNBGVUJEEGK-LLVKDONJSA-N 384.332 4.467 0 1 GIAF O=C(O)CCC/C=C/C[C@@H]1[C@H](CCNC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 253635423 QDCBWGKZRZYILC-HDDSPCROSA-N 386.492 4.193 0 1 GIAF NC(=O)c1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586975024 JBMDLJMTFZWIQV-UHFFFAOYSA-N 385.048 4.398 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(C)nccc3[nH]2)c1 587051308 VGLUMGLXJMIRSH-FPLPWBNLSA-N 397.866 4.310 0 1 GIAF Cc1ccc2c3c(c(CC(=O)O)c(-c4ccncc4)nc13)-c1ccccc1C2=O 587097514 PYJYUXIQURFPNX-UHFFFAOYSA-N 380.403 4.444 0 1 GIAF Fc1cc(Br)ccc1-c1nc2c(F)cnc(Br)c2[nH]1 587143180 ZNIBZBUODHIARB-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF Cc1cc(Br)c2[nH]c([C@@H](N)Cc3c[nH]c4ccc(F)cc34)nc2c1 587175706 ZKFMSEFWSJGETA-AWEZNQCLSA-N 387.256 4.497 0 1 GIAF Fc1cc(-c2nc3cc(Br)c(F)cc3[nH]2)cc(N2CCCC2)n1 587177597 PKOGCDCHSBKQDR-UHFFFAOYSA-N 379.208 4.266 0 1 GIAF FC(F)(F)c1ccc(-c2nc3cnccc3[nH]2)c(I)c1 587178859 NAESSQZWCUNZTB-UHFFFAOYSA-N 389.118 4.248 0 1 GIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cccc(I)c2[nH]1 587196106 QRQSBNXFLYQTOK-NSHDSACASA-N 391.256 4.385 0 1 GIAF COc1ccc([C@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587508838 UDTLANGZGXJOPS-NRFANRHFSA-N 386.831 4.173 0 1 GIAF C[C@@H](Oc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587525229 UCNSEDOOEFSQRN-FATZIPQQSA-N 380.440 4.298 0 1 GIAF Cn1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1 587583699 WQVPPALMLRCQRA-URXFXBBRSA-N 398.418 4.496 0 1 GIAF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587648829 IFBGRMFQCRCGAO-UHFFFAOYSA-N 395.402 4.384 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)nnc2Cl)N1 587702495 DMOKWDCBCRYKFS-DAZKTRTLSA-N 391.071 4.309 0 1 GIAF COc1ccc2c(c1)[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804830 CBMWHMPVYDMJHR-JEOXALJRSA-N 376.269 4.321 0 1 GIAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805837 HWMNRFWFFIZQFV-WYRIXSBYSA-N 394.284 4.403 0 1 GIAF COc1cc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587806523 JRXBDXWEUQEEOM-JEOXALJRSA-N 394.284 4.295 0 1 GIAF Cc1nc2sccn2c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587858027 XCMWARDZOBXPMA-HUTHGQBESA-N 394.313 4.404 0 1 GIAF C[C@@H]1Oc2c(cc(C(=O)Nc3cccnc3)c3c2C=CC(C)(C)O3)C(=O)[C@H]1C 1772577455 HIVFAIHMZMIBRR-STQMWFEESA-N 378.428 4.118 0 1 GIAF Cc1cnc(Nc2ccc(OCC(=O)O)cc2)nc1-c1cc2ccccc2o1 1772579007 OSYKWNCZDHSVTK-UHFFFAOYSA-N 375.384 4.405 0 1 GIAF CC(=O)O[C@@H]1CC[C@@H](OC(C)=O)[C@@]2(CC(=O)O[C@@H]2/C=C(\C)CCC=C(C)C)C1 1857614840 HACXDRXIMMUCNG-HAYCEANTSA-N 392.492 4.028 0 1 GIAF C[C@H](NC(=O)C1CCCCC1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356300397 VRGYTAWDXJMMQH-NSHDSACASA-N 376.840 4.451 0 1 GIAF CC[C@H](O)[C@H](O)C[C@](C)(O)CCCC(C)=CC[C@H](O)[C@@H]1[C@H](C)C=CCC1(C)C 2356534511 LAWYTMOLUTUILN-VUSMWSEZSA-N 396.612 4.365 0 1 GIAF CC(=O)O[C@@H]1C[C@](C)(O)[C@H](CCC(C)=CC(=O)O)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356536923 DWCQGHONFHUARJ-KTLDEXFBSA-N 380.525 4.333 0 1 GIAF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 766969 VOZMMXSTHCZNBV-GMAHTHKFSA-N 388.442 4.276 0 1 GIAF C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)[C@@H](c3csc(N)n3)CC[C@H]12 7996212 OLFQKPLZTHOKAV-NFZIDVJGSA-N 386.561 4.312 0 1 GIAF CCOc1ccc(CCOC(=O)N2CCN(CCCc3ccccc3)CC2)cc1 13864331 FOQLLAFYKYEUAL-UHFFFAOYSA-N 396.531 4.015 0 1 GIAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@H]4[C@H](C2)N(CC2CC2)CC[C@]341 26579315 IYMLCJZYVKMKSH-UOHDFPPJSA-N 398.506 4.458 0 1 GIAF Cc1[nH]c2nc(N)nc(O)c2c1Sc1ccc(Br)c(Cl)c1 28524936 MIFYZEJDKWECGY-UHFFFAOYSA-N 385.674 4.121 0 1 GIAF COc1cc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)ccc1O 28571701 WOXYBNZJQAVVKV-UHFFFAOYSA-N 398.415 4.172 0 1 GIAF CN(Cc1nccs1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 36382602 PAEFKCSDRFLRMD-UHFFFAOYSA-N 376.441 4.118 0 1 GIAF COC(=O)c1ccc(C[C@@H](C)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 45193527 PCVBSISVQDHZPQ-KZULUSFZSA-N 382.287 4.034 0 1 GIAF COc1cccc([C@H](C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1 73337301 PFCUZXCHLYIMTJ-AWEZNQCLSA-N 380.419 4.396 0 1 GIAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3N(C)C)cc2)C1 96929234 SMGGVEANRVALLD-WIYYLYMNSA-N 392.547 4.068 0 1 GIAF CN(C)c1ccc(-c2nc(-c3ccc([125I])cc3)no2)cc1 102226019 PIKNISDORYTRSV-QZIRHQCUSA-N 389.213 4.074 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(C(C)=O)c3)cc2)C[C@@H]2CC[C@@H]1N2C 136793535 CGGKEMRCMPNIGU-BJESRGMDSA-N 377.484 4.296 0 1 GIAF COc1cc(-c2cc(=O)n3ncc(-c4noc5ccccc45)c3[nH]2)ccc1Cl 142737434 APYBJYRYDNODCL-UHFFFAOYSA-N 392.802 4.160 0 1 GIAF CCCCC[C@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCCCCCC(=O)O 169622206 DTTMKDYOUCSFNN-BXGZNDGNSA-N 396.568 4.213 0 1 GIAF C[C@H]([C@@H]1CC[C@H]2[C@H]3CC=C4C[C@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21CO)N(C)C 255271117 UCNIUVSOJLHWRM-NWSCHUGZSA-N 388.640 4.418 0 1 GIAF O=C(NCc1ccccc1)c1cn(Cc2ccccc2)c2ccc(F)cc2c1=O 299840265 WOPWSQCQQSNBDA-UHFFFAOYSA-N 386.426 4.119 0 1 GIAF COC(=O)c1cc2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2cc1OC 587060358 CNRZYZACANVWEG-UHFFFAOYSA-N 383.791 4.334 0 1 GIAF NC(=O)c1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1 587067798 PPLYHCXZLUGVFN-UHFFFAOYSA-N 377.831 4.142 0 1 GIAF CC1=C(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[C@H](C)N2NN=NC2=N1 587105699 FDCNGIPOHJERMU-LBPRGKRZSA-N 380.411 4.123 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc(F)cc3)nc2c1 587168777 LYWXOVGPFHTGNK-UHFFFAOYSA-N 393.212 4.220 0 1 GIAF COc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1F 587170499 AOTRBTWILMZWAJ-UHFFFAOYSA-N 385.345 4.306 0 1 GIAF Clc1nccc2nc(/C=C/c3cccc(I)c3)[nH]c12 587184196 PWDIAEVXXPMSKD-SNAWJCMRSA-N 381.604 4.386 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1CCCC[C@@H]1C(=O)O)O2 587403333 GPNIPIWGGWVRSG-XAEMIUIASA-N 379.456 4.329 0 1 GIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587480010 VVCHJBMQZAGOMF-QAPCUYQASA-N 375.465 4.078 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccncc1 587577135 MKNXQGYZBRQQJK-REWPJTCUSA-N 384.391 4.281 0 1 GIAF CCOC(=O)[C@@H]1CCCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596008 MUJWIVBIIPWERZ-BTCOZLQPSA-N 396.439 4.236 0 1 GIAF CN(C)Cc1csc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587615824 ZBKTVGDPNZEVHV-WIYYLYMNSA-N 381.453 4.218 0 1 GIAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1F 587718641 NTEKWPLVEAOCLL-CQLKUDPESA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3c(F)cccc32)N1 587738812 QVCHTMCKVJVAGY-MGNBDDOMSA-N 379.248 4.321 0 1 GIAF COc1ccc(OC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587802861 VLNCFBLXLAJHAB-BZNIZROVSA-N 380.257 4.251 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCc1ccccc1 587867648 MAEDVLCTQQFKKB-UHFFFAOYSA-N 375.350 4.246 0 1 GIAF CN(c1ccc(-c2csc(-c3ccnc4ccccc34)n2)cc1)S(C)(=O)=O 587923739 JFGWBYXUQSUOHW-UHFFFAOYSA-N 395.509 4.421 0 1 GIAF CC(C)(CC(=O)O)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587956106 UDXOCTMMLCRZEO-UHFFFAOYSA-N 379.176 4.388 0 1 GIAF COc1cccc([C@]2([C@H]3CC[C@@H](C(=O)O)CC3)NCCc3cc(C)c(F)cc32)c1 962150206 XVJMDEODMAECOW-GXYVPTEVSA-N 397.490 4.423 0 1 GIAF CCC[C@H](C)[C@@]1(c2ccccn2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962981743 WGKFCQYZBPACNL-RPLLZPRCSA-N 394.849 4.292 0 1 GIAF c1ccc(CCN2CC[C@]3(C2)c2ccsc2CCN3Cc2cccnc2)cc1 962996246 OJOUEGZVNUDWQE-DEOSSOPVSA-N 389.568 4.345 0 1 GIAF Cc1c[nH]c(C)c1[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963200094 XTMAGRLPIDPRJW-YVEFUNNKSA-N 386.801 4.166 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccc[nH]1)C(Cl)(Cl)Cl 963607665 JWEPKNSYRZKVRV-HWPZZCPQSA-N 389.710 4.180 0 1 GIAF Cc1ccc(F)c(-c2cc(Nc3ccnc4cn(C[C@H](C)O)nc34)c(C)cn2)c1 1772643446 VYMNGUXXARQKJB-HNNXBMFYSA-N 391.450 4.374 0 1 GIAF C[C@@H](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 2356872729 ZBAVIUQLFUYWMT-HANLSTJTSA-N 378.553 4.088 0 1 GIAF O=C(NCc1cccc(Cl)c1)[C@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 61902207 BWTRNBYNBMIGBT-LJQANCHMSA-N 382.822 4.161 0 3 GIAF CCCCN(C)C(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 201446687 LSPPISUVALFXEM-UHFFFAOYSA-N 387.553 4.196 0 3 GIAF CCOc1ccccc1C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 1370463 GFCXINFWTLYCDS-SFTDATJTSA-N 378.516 4.401 0 1 GIAF COc1cc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc(OC)c1OC 1625165 BQSPXLFDCJTCES-UHFFFAOYSA-N 379.338 4.418 0 1 GIAF Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccn2)CCC3)c1 2502226 IWHJPKIEPDKWHF-UHFFFAOYSA-N 377.469 4.445 0 1 GIAF CCN(CC)c1ncnc2sc(C(=O)Nc3c(F)cccc3F)c(C)c12 6948065 GEOTYOXYSYXQPG-UHFFFAOYSA-N 376.432 4.376 0 1 GIAF C[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)N[C@H]1CCCC[C@H]1C 12918344 QHQZLLNWULXNRK-ZOCZFRKYSA-N 381.472 4.299 0 1 GIAF Cc1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C2CC2)N3)c1C 13123784 JTYMSCDOVQMAOF-ZBFHGGJFSA-N 378.398 4.450 0 1 GIAF aggregator COc1ccc(C(=O)c2c(C)n([C@@H](C)CN3CCOCC3)c3ccccc23)cc1 13742524 YKMQWFRCMFOWQD-KRWDZBQOSA-N 392.499 4.083 0 1 GIAF CCCC(C)(C)C(=O)NCCCCN1CCN(c2ccc(Cl)cc2)CC1 28237663 BNBAGMLJQSUXHD-UHFFFAOYSA-N 379.976 4.185 0 1 GIAF O=Cc1ccccc1-c1ccc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1 28379989 XMAARODROLJQOY-HSZRJFAPSA-N 384.479 4.170 0 1 GIAF Nc1n[nH]cc1-c1c(-c2ccc(F)cc2)nn2c(NC3CCCC3)cccc12 28890500 PRHMXFPFUMVLTR-UHFFFAOYSA-N 376.439 4.467 0 1 GIAF O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2cc(Cl)ccc21 29552482 ODLQXWMYQDSIKI-UHFFFAOYSA-N 380.835 4.304 0 1 GIAF Cc1cccc(-c2noc(C3CCN(C(=O)NCc4ccccc4)CC3)n2)c1 35290342 PZKQLJQQHUGEOD-UHFFFAOYSA-N 376.460 4.134 0 1 GIAF CN1C(=O)[C@@H](CN2CCCCC2)C[C@H]1c1cnc(-c2ccccc2Cl)s1 35932079 BYRXTRIVTYAFPL-PBHICJAKSA-N 389.952 4.469 0 1 GIAF O=C(Nc1ccc([C@@H](O)CO)cc1C(F)(F)F)c1cc2cc(Cl)ccc2[nH]1 40954181 QFZCJYHTTPXDII-INIZCTEOSA-N 398.768 4.118 0 1 GIAF C[C@H](C1=C(CCN(C)CC2CCOCC2)Cc2ccccc21)c1cnccn1 66099098 HUPZZDHJGMFMTN-SFHVURJKSA-N 377.532 4.339 0 1 GIAF COc1ncccc1C(=O)c1cc(NC(C)=O)cc(-c2cccc3[nH]ccc23)c1 66099657 WVFZCKNQDBGNRH-UHFFFAOYSA-N 385.423 4.428 0 1 GIAF Cc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1 73296477 DDROFLAZEAEXMN-UHFFFAOYSA-N 377.492 4.048 0 1 GIAF CCN(C(=O)[C@H](C)Sc1ccc(-c2ccccc2)nn1)c1nc(C)cs1 84654848 RWSYSAAVXLHINN-AWEZNQCLSA-N 384.530 4.442 0 1 GIAF CCCCCCN1C[C@H]2[C@@H](C1)[C@]2(C)c1cccc(NS(=O)(=O)CCC)c1 102955372 OWZMGDCDTNNHGX-AERCQKQUSA-N 378.582 4.238 0 1 GIAF COC(=O)[C@@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139014296 NGTCMRXABCXPKB-MRXNPFEDSA-N 390.443 4.012 0 1 GIAF CCCOc1cc(C)c(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1 169709245 MOQBGYCZIWMLSD-UWJYYQICSA-N 397.519 4.034 0 1 GIAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)C[C@H]1[C@@H]2[C@]1(C)CCC2=C(CCCC2(C)C)[C@H]1C 238733808 QFAJOILVRWFPQA-CQRWELCXSA-N 376.493 4.354 0 1 GIAF C/C=C(\C)C(=O)O[C@]1(C)C(=O)C[C@@H]2[C@H]1CC[C@]1(C)[C@H](OC(C)=O)CC=C(C)[C@@H]21 238751702 LCPAXKXEUBDQBL-CMUKCABISA-N 388.504 4.158 0 1 GIAF COc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1Cl 586983546 CQKPMTDEIXPMLJ-LBPRGKRZSA-N 380.673 4.230 0 1 GIAF CN(C)/C=C/[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340241 UQQXPQDCEIPCPQ-LFQJSQIXSA-N 393.414 4.454 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1cncc(Br)c1C)O2 587371984 NGLMNVKSOGVOKM-CYBMUJFWSA-N 375.266 4.010 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccccc2N[C@H]1c1ccccc1 587402175 VNXJBUJMAPKMMY-UPVQGACJSA-N 384.435 4.331 0 1 GIAF O=C1C[C@@](Cn2ccnc2)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587502982 JULMZYZSWIXNJL-HSZRJFAPSA-N 376.431 4.462 0 1 GIAF COc1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587557202 MKDYXTBGCULOPJ-WIYYLYMNSA-N 384.334 4.382 0 1 GIAF C[C@]1(c2cnc3cccnc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584528 ATWLFERCHZDPOS-NZQKXSOJSA-N 384.391 4.212 0 1 GIAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587593495 DVIALUXCBWUIOM-DENIHFKCSA-N 378.380 4.199 0 1 GIAF CC(=O)Oc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599846 ICJIYAANXQGGII-REWPJTCUSA-N 390.391 4.195 0 1 GIAF COc1ccc2c(c1)CC[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601330 RZOLGVISOUEWLL-XUZZJYLKSA-N 388.419 4.290 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(C2CC2)N1 587704229 IABQKLMTXDIOFG-AYVTZFPOSA-N 394.206 4.249 0 1 GIAF Cc1c(F)ccc2c1[C@]1(C=C[C@@H]3CN(C(=O)c4ccccc4)CC[C@H]3C1)NCC2 962380634 XKPLDCYMICHWHH-BPYKYCOYSA-N 390.502 4.214 0 1 GIAF O=C1OCC[C@@H]1Oc1cccc([C@H]2NCCc3cccc(-c4ccccc4)c32)c1 962666401 MAYXUXIIQPIYHN-LADGPHEKSA-N 385.463 4.283 0 1 GIAF CCOc1ccc([C@]2(CCC(=O)O)c3c(F)cccc3C[C@H]3CCCN32)cc1 963098738 JBLFMHQJNLVYBW-WZONZLPQSA-N 383.463 4.353 0 1 GIAF CCN(CC)c1ccc(NS(=O)(=O)c2c(-c3ccccc3)noc2C)cc1 1857541027 VBYZMMGCVXGBGF-UHFFFAOYSA-N 385.489 4.297 0 1 GIAF COC(=O)c1ccc2nc(-c3ccc4nccn4c3)c(NC3CCCCC3)n2c1 1857604614 LRKGNZWZIJYMOB-UHFFFAOYSA-N 389.459 4.180 0 1 GIAF COc1ccc(Cl)cc1N1C(=O)[C@H]2CCCN2[C@H]1c1ccc(F)c(F)c1 58046738 BBNANEGZNRVYTF-CRAIPNDOSA-N 378.806 4.137 0 3 GIAF O=C(c1ccncc1)N1CCC2(CC1)CN(c1cccc(-c3ccccc3)c1)C2 3956082 MVDCYGWRXQLGBK-UHFFFAOYSA-N 383.495 4.491 0 1 GIAF O=C(c1ccc(F)cc1)[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl 26008567 WXEOVZHKJXFPPI-GOSISDBHSA-N 379.218 4.100 0 1 GIAF CCOc1cc2c(cc1O)[C@@H](NC(C)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 26491102 YRMUBJUOYFERGW-SIPCVUJNSA-N 387.520 4.033 0 1 GIAF CC(/C=C/C(=O)O)=C\c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 26501991 HIUIHMARBRKSSO-HUYCJKDXSA-N 377.849 4.185 0 1 GIAF C[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCC[C@H]1C 27563335 VRGPFBVTIGOXNH-IAGOWNOFSA-N 380.488 4.184 0 1 GIAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccnn1CCc1ccncc1 28822056 DJJYHZWDFKFCCO-UHFFFAOYSA-N 394.784 4.445 0 1 GIAF O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1cccc(F)c1C2)c1ccc(Cl)s1 38140963 YTBSSZLYKCFJCT-PEBVRCNWSA-N 385.913 4.013 0 1 GIAF Cc1cccc(C)c1-c1nnc(NC(=O)c2ccc3c(c2)OCCCO3)s1 43079221 WNOHEDFVRFWMIB-UHFFFAOYSA-N 381.457 4.236 0 1 GIAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncc3F)cc2OC)c1 63298499 PFCUZXCHLYIMTJ-CQSZACIVSA-N 380.419 4.396 0 1 GIAF CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2C[C@@H](C)C[C@@H](C)C2)n1 82066829 NWUZHJPRZHIYIC-XHSDSOJGSA-N 385.512 4.365 0 1 GIAF Cc1cnc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccccc2)o1 82162836 ZGUQHENANHNSHX-UHFFFAOYSA-N 386.411 4.448 0 1 GIAF c1csc(CNc2ncnc3c2nc(-c2ccsc2)n3C[C@@H]2CCCO2)c1 82222797 UACNIBMZMWSQQB-AWEZNQCLSA-N 397.529 4.407 0 1 GIAF O=c1cc(-c2ccc(Br)cc2)sc(N2CCOCC2)c1Cl 101074842 PDYMGOJZLOUNPK-UHFFFAOYSA-N 386.698 4.028 0 1 GIAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC(C)C)[C@@H]2c1cccnc1 102624756 FBFSJAVVUJTQGO-RVAQLADHSA-N 386.477 4.122 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccccc3C(C)=O)cc2)C[C@@H]2CC[C@@H]1N2C 139099017 IKFLALJPMIMFEC-AWDZXFJFSA-N 377.484 4.296 0 1 GIAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 142494605 NPDIJNGAYHLFNU-KGVSQERTSA-N 398.871 4.220 0 1 GIAF CN(C)c1ccc(C(=O)Nc2n[nH]c3cc(OCc4ccccc4)ccc23)cc1 144304721 CQMXHWIVXMYLBS-UHFFFAOYSA-N 386.455 4.460 0 1 GIAF Cc1nc2c(o1)C[C@H](CN1CCC(c3c[nH]c4cc(F)ccc34)CC1)CC2=O 169322319 RXIUGRLQOGTTNP-CQSZACIVSA-N 381.451 4.228 0 1 GIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(C)ccnc4[nH]3)c2)cc1 586931579 YTKNXEOOOWUSGH-UHFFFAOYSA-N 392.484 4.067 0 1 GIAF Cc1ccc(NC(=O)CSCCc2nc3ccc4ncccc4c3[nH]2)cc1 586969960 CNDOTUGFHNCELP-UHFFFAOYSA-N 376.485 4.334 0 1 GIAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1cccc(F)c1 586988279 IDHYMGYWNMZAKM-UHFFFAOYSA-N 398.393 4.472 0 1 GIAF CC1=C(c2ccc3nc(-c4c(Cl)[nH]c5ccccc45)[nH]c3c2)NNC(=O)C1 587087493 KGIQWICHDHMTPY-UHFFFAOYSA-N 377.835 4.120 0 1 GIAF Fc1cc(Cc2nc3nc(Br)c[nH]c-3n2)ccc1-c1ccccc1 587144877 FJPSOHSNWBOOTR-UHFFFAOYSA-N 383.224 4.464 0 1 GIAF Cc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Cl 587150886 VBMXQGCAODACOO-GFCCVEGCSA-N 375.806 4.319 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(/C=C/C(=O)O)=COc2ccc(Cl)cc21 587380606 WOGJWTIXZKLIFU-XGLIRFAXSA-N 397.814 4.008 0 1 GIAF CCOC(=O)[C@@H](CC)Oc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587400243 LYRPBCHFSFMUQT-UYAOXDASSA-N 383.444 4.004 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(=O)OC(C)(C)C)cc1)[C@@H](C2)C3=O 587438841 IFJYOVZAQABOLS-SBUREZEXSA-N 380.440 4.313 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](/C(=C/N(C)C)c1ccc(OC)cc1)CC2=O 587470384 TUYCIAUNXPWPAC-SLTDHEAWSA-N 381.472 4.290 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)c3cccc(C(=O)OC)c13)CC2=O 587477103 UMBHAEIVLUPLFU-HXUWFJFHSA-N 393.439 4.330 0 1 GIAF C[C@]1(c2cc(CN3CCOCC3)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530678 GTNOEGRSPWSTEJ-HSZRJFAPSA-N 397.540 4.340 0 1 GIAF CCOC(=O)[C@@H]1CCCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596011 MUJWIVBIIPWERZ-QUZZAMIASA-N 396.439 4.236 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611475 ROODJOLIXQIFJP-NZQKXSOJSA-N 390.391 4.040 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C(F)(F)F)nc2)N1 587723032 UVCGZURXHVBLPQ-CPFSXVBKSA-N 390.178 4.021 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587723503 AKAUHIURZRAKBZ-VVVCHXIZSA-N 396.231 4.138 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc(F)cc(F)c32)N1 587738556 PHVHZSZQMDDAQK-DYBLOJMWSA-N 398.222 4.427 0 1 GIAF COC(=O)CC1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587803832 CAUIDCFHLSWILY-OMTHAAKESA-N 384.289 4.071 0 1 GIAF COc1cc(OC)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807614 KUAHVCFMHGNXBY-JEOXALJRSA-N 394.284 4.403 0 1 GIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2c(Br)ccc(Br)c2[nH]1 587963615 PFJPJOQDSUBOCD-JGVFFNPUSA-N 386.087 4.246 0 1 GIAF CCOC(=O)CCC[C@@]1(c2cccnc2Cl)NCCc2cc(C)c(F)cc21 962141113 BHUURAUPXWMHBC-NRFANRHFSA-N 390.886 4.305 0 1 GIAF CCOC(=O)Cc1ccc([C@]2(C)N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962962583 YBZZAEFRWXNQOV-KOSHJBKYSA-N 376.500 4.461 0 1 GIAF CCC[C@H](O)[C@@]1(CCC)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963178959 FKAGCQSYYWEKBN-VYDXJSESSA-N 393.833 4.114 0 1 GIAF C[C@@H]1CN(C[C@@H](O)COc2cccc(CNC3CCCC3)c2)Cc2ccccc21 1772580862 NLFFHISKVLNNGK-AUSIDOKSSA-N 394.559 4.078 0 1 GIAF COc1cc(-c2nnc3ccc(-c4cccc(Cl)c4)nn23)cc(OC)c1OC 1772607015 ZCJHZWWOBDNCEL-UHFFFAOYSA-N 396.834 4.138 0 1 GIAF Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4nnc(N)n34)cc2)c1 1772655786 HNCMVNMHWKJIJY-UHFFFAOYSA-N 376.395 4.070 0 1 GIAF CC[C@H](C)NC(=O)c1c(NC(=O)c2ccccc2Cl)nc2ccc(C)cn12 1857608886 XDQIWTVBSSWKJA-ZDUSSCGKSA-N 384.867 4.077 0 1 GIAF CO[C@H]1O[C@@H](OC)C2=C1[C@@]1(C)CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]1CC2 2356791337 GONHLEBMRHPYFF-LRMXJACBSA-N 378.509 4.366 0 1 GIAF O=C(NCc1cccs1)c1ccc(C[S@](=O)Cc2ccccc2Cl)o1 6895856 YMPQWNSUTWRKHO-VWLOTQADSA-N 393.917 4.373 0 3 GIAF O=c1nc(-c2c(F)cccc2F)on1-c1ccc(OC(F)(F)F)c(Cl)c1 103177694 BRKVQIKCCKMRNO-UHFFFAOYSA-N 392.667 4.323 0 1 GIAF Brc1cccc([C@@H]2C3=C(CCCC3)Nc3ncn4ncnc4c32)c1 103157175 WWHCUIPJPHCUDI-OAHLLOKOSA-N 382.265 4.272 0 1 GIAF COC(=O)[C@@]1(c2ccc(C)cc2)C[C@H]1CN1CCC(Cc2ccccc2)CC1 28634995 GOIBXJYEIIEIPH-UKILVPOCSA-N 377.528 4.380 0 1 GIAF Cc1cc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)cc(C)n1 28570396 CPWIIFYGKOXEBI-UHFFFAOYSA-N 381.432 4.470 0 1 GIAF COc1ccc([C@](C)(NC(C)=O)c2nc(-c3ccccc3OC)cs2)cc1 61904483 OWWSDNBASJKQMN-NRFANRHFSA-N 382.485 4.227 0 3 GIAF Cc1ccc(C(=CCCN2CCO[C@H](C(=O)O)C2)c2ccc(C)s2)s1 66260144 MSZZEOFFGWPPTF-INIZCTEOSA-N 377.531 4.034 0 1 GIAF CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(=O)NC 213030251 PIGWQTQWPKNWHF-UHFFFAOYSA-N 381.461 4.129 0 1 GIAF in-vitro CCCc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1C[C@@H]1CCCO1 82185223 DAVRUFUMVICRBA-INIZCTEOSA-N 385.899 4.223 0 1 GIAF CC(=O)N[C@H]1CCN(Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C1 40934332 BPSNKHBRCPDEOJ-SFHVURJKSA-N 393.314 4.283 0 1 GIAF COc1ccc(N(C(=O)N(C)C)c2nnc(-c3ccccc3)s2)cc1OC 84596200 URNBWAVCUMCOIX-UHFFFAOYSA-N 384.461 4.042 0 1 GIAF COC[C@@H](C)NC(=O)c1cc(NC(=O)c2ccco2)cc(-c2ccc(C)cc2)c1 142608394 PWZNPPYPJSCGDI-MRXNPFEDSA-N 392.455 4.272 0 1 GIAF Cc1cc(C(C)(C)O)ncc1-c1ccc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c1 144386292 BBDRYSLUYVYOTH-AEFFLSMTSA-N 379.435 4.129 0 1 GIAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(c3nc(C)c(C)s3)[C@@H]2CNCC(C)C)cc1 95871721 UOZDGZVBUSYQCZ-LDVMJDGHSA-N 399.604 4.372 0 1 GIAF Cc1sc2ncnc(N3CCC(COCC[C@H]4CCCN4C)CC3)c2c1C 146569662 QLSXCRNEKFKMKC-GOSISDBHSA-N 388.581 4.025 0 1 GIAF C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@H]1c1ccccc1 299813522 FZHGLOCDHOYYLD-BRNYJPRKSA-N 387.483 4.049 0 1 GIAF O=C(Nc1ncnc2[nH]cnc12)c1cccc(-c2ccc(-n3cccc3)cc2)c1 653795842 UXIFHFZOLMWSHU-UHFFFAOYSA-N 380.411 4.063 0 1 GIAF CON(C)C(=O)c1ccc(Nc2nc(-c3cccnc3)nc3ccccc23)cc1 653704195 MFVJEHGMSGXBNV-UHFFFAOYSA-N 385.427 4.069 0 1 GIAF CCO/C=C\[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328732 KECFZHIKYAZGJT-IAJJCYPOSA-N 378.346 4.444 0 1 GIAF CC[C@H](c1nc2cc(C)c(F)cc2[nH]1)n1cc(I)c(C)n1 587185812 ORAZHAYASVZOPT-CQSZACIVSA-N 398.223 4.119 0 1 GIAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(F)cc(F)c2[nH]1 586980539 WMRADGIUSZWJEB-UHFFFAOYSA-N 397.175 4.004 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 587150126 KLBWWUJYXRFEHY-POHAHGRESA-N 391.443 4.042 0 1 GIAF CC(=O)NCCc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511619 MEDKXDMTTNFJLW-XMMPIXPASA-N 377.484 4.125 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(C(F)(F)F)nn(C)c3s1)O2 587381214 CXCDQUIEJFAINL-GFCCVEGCSA-N 381.379 4.251 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1C(F)(F)F 587869030 YDKJQXXITACVSV-UHFFFAOYSA-N 388.271 4.376 0 1 GIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)cncc2[nH]1 587147478 OVFZFHLTTOOLKP-UHFFFAOYSA-N 390.191 4.066 0 1 GIAF CC[C@]1(c2ccc(C(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607450 IOUSDLKEOWYNAX-AUSIDOKSSA-N 390.391 4.358 0 1 GIAF O=C1CSc2ccc(-c3nc4cc(Br)cc(F)c4[nH]3)cc2N1 587044553 YJVZSXYHQQXRQO-UHFFFAOYSA-N 378.226 4.176 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(C)n1-c1ccccc1 587862977 NURSLRATZIPKBC-UHFFFAOYSA-N 399.376 4.456 0 1 GIAF COc1cc2c3c(c1)O[C@](COC(=O)c1ccccc1F)(C(C)(C)C)[C@@H](C2)C3=O 587428495 ZXFKFEPXQPOYLM-HJPURHCSSA-N 398.430 4.224 0 1 GIAF COc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587613149 NZQRBUVAEOBKMO-IUODEOHRSA-N 389.816 4.214 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(C)c1O 587862655 UNHBHTSSSXLEEV-UHFFFAOYSA-N 376.334 4.280 0 1 GIAF Cn1ccnc1[C@@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506478 SXZAVHNYTFHNHI-QHCPKHFHSA-N 376.431 4.347 0 1 GIAF O=C1CCc2cc3nc(-c4ccnc(SCC(F)(F)F)c4)[nH]c3cc2N1 587093976 WZLBIFNVOJETHB-UHFFFAOYSA-N 378.379 4.164 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccn(-c2ccccc2)n1 587583415 WASMRFOCFHPFOM-REWPJTCUSA-N 384.391 4.281 0 1 GIAF CCCn1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587584231 ZBGWAGZMKFMKBE-KNQAVFIVSA-N 378.428 4.318 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc2c(=O)[nH]ccc2c1 587862609 FKGHDWNZUBDOJT-UHFFFAOYSA-N 385.345 4.408 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4c1cnn4C(C)(C)C)[C@@H](C2)C3=O 587433403 XJCVDBSTPFLHGR-NPMXOYFQSA-N 380.488 4.262 0 1 GIAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587806519 JRRFDYPRODSKSI-XTZNXHDOSA-N 380.257 4.229 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@]2(CCC[C@H](C(F)(F)F)C2)N1 962636060 LPZFPOJSSIPZFI-PGUXBMHVSA-N 397.315 4.132 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CNC(C)C)(c2cccc(OC)c2)N1 962963761 ZTWHJKBHCCGXPZ-KOSHJBKYSA-N 377.532 4.342 0 1 GIAF O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN(Cc2cc3ccccc3[nH]2)C1 12195121 JSTHCNBJOWNOBT-IBGZPJMESA-N 399.498 4.204 0 3 GIAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc([C@@H](C)O)nc12 13442851 HAWFVOHRJWLGGU-SECBINFHSA-N 392.242 4.251 0 1 GIAF COc1cccc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)c1 14948350 UAOJUAJKBKUTQI-UHFFFAOYSA-N 375.259 4.167 0 1 GIAF C[C@@H](c1ccccc1)n1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1 1857649284 HDWCWNNKLHTKJH-LBPRGKRZSA-N 384.365 4.358 0 1 GIAF Cc1ccccc1C1=NN(C(=O)Cc2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)C1 1857750629 MGYJRCXOOVVUFB-SFHVURJKSA-N 396.796 4.078 0 1 GIAF O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 767587 ZPZZQMICCIVEQF-GMAHTHKFSA-N 388.442 4.276 0 1 GIAF CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N(C)C 4204997 AFEOZOUBLIYTGO-FYYLOGMGSA-N 388.467 4.419 0 1 GIAF COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@@H](c1ccc(F)cc1)O2 26175457 JFBQVFCNTWRGTG-OAQYLSRUSA-N 399.443 4.355 0 1 GIAF COc1ccccc1N1CCN(CCCSc2nc3ccccc3o2)CC1 40915954 SXYZDTZWHCTYAE-UHFFFAOYSA-N 383.517 4.141 0 1 GIAF in-vitro CCC[C@@H](CCOC)Nc1nc(C)nc2c1cnn2-c1ccc(OC)cc1C 45255392 NCXZGUYASQOBTP-INIZCTEOSA-N 383.496 4.058 0 1 GIAF C[C@H](CNc1ncnc2c1nc(C1CC1)n2C[C@H]1CCCO1)c1ccccc1 82188875 QCEVBAWTTZSXSG-CRAIPNDOSA-N 377.492 4.098 0 1 GIAF CCCOC(=O)c1ccc2c(c1)CN1CN2Cc2cc(C(=O)OCCC)ccc21 103179886 JYLOQKHKTNWMEX-UHFFFAOYSA-N 394.471 4.118 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 169338533 GNWBLLYJQXKPIP-IXGPGGTISA-N 388.596 4.334 0 1 GIAF O=c1[nH]c2c(s1)[C@@H](c1ccccc1)c1c(c(O)n(-c3ccccc3)c1O)S2 169687970 OUVOBJVKZRNPMP-ZDUSSCGKSA-N 394.477 4.283 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3c(OC)cc(OC)c(/C=C/C(C)(C)O)c3O2)cc1 238739745 QMJNQPPYYVEJAY-ZGKFYVQTSA-N 398.455 4.203 0 1 GIAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(NC(=O)CCC(=O)O)cc2)cc1 299852648 VTPFUUDSFBQYDB-QGZVFWFLSA-N 380.488 4.184 0 1 GIAF COc1ccc2c(c1)-c1ccccc1[C@@H]2N1CCN(C(=O)c2ccccc2)CC1 473106328 WNPIEGSIFXDQQY-DEOSSOPVSA-N 384.479 4.223 0 1 GIAF Cc1ncc(-c2nc3ccc(Br)c(O)c3[nH]2)c(C)c1Br 586979193 SHBIRJXIHCEFLG-UHFFFAOYSA-N 397.070 4.472 0 1 GIAF Cc1c(Br)cnc2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc12 587041075 VOWHHFABYYAZJW-JTQLQIEISA-N 399.314 4.011 0 1 GIAF CN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]2CCC[C@H]21 587332727 AYWRLQKMCUPHIZ-URLVKDPJSA-N 381.447 4.133 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587518228 CVOWXWUCGFCWMT-FYNLTWRRSA-N 397.515 4.402 0 1 GIAF C[C@@]1(c2ccc(C(=O)O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557875 POMQXOYUMXRMKT-AVRDEDQJSA-N 394.354 4.107 0 1 GIAF O=C(c1ccc(F)cc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658571 PDQVGZFAEWXXLS-UHFFFAOYSA-N 380.325 4.169 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccncc2)N1 587757046 UFNCTFMHJCCWHO-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF COc1ncc(C)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587773512 ZAGIQEVKTZOAAK-ADLMAVQZSA-N 379.273 4.098 0 1 GIAF CC[C@]1(c2ccc(C(=O)O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587825719 IEMXVOYBSPYTQS-JEOXALJRSA-N 392.268 4.474 0 1 GIAF CCc1oc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)OC 587828626 OOZBSORPPSIPEK-HUTHGQBESA-N 396.256 4.154 0 1 GIAF COc1ccc2c(c1)OCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587833169 FSAFTVYGTLILMW-WYRIXSBYSA-N 392.268 4.157 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccccc3OC2)N1 587835869 RBYQJKYIDQZJSX-CWTRNNRKSA-N 376.269 4.343 0 1 GIAF Cc1nc2c(s1)[C@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587855895 HFGNEZXWPNGRFA-VVVCHXIZSA-N 381.314 4.467 0 1 GIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Br)cc(F)c3[nH]2)cc1 587937609 QBVBGYZEERZRBH-XXFAHNHDSA-N 379.229 4.310 0 1 GIAF CCOc1ccc(OCC)c([C@@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1 962568670 LERHUSHCJZTDEB-CMJOXMDJSA-N 385.504 4.467 0 1 GIAF C[C@@]1(c2ccnc3cc(Br)ccc23)NCCc2nc3ccccn3c21 962987339 LAEDJZARLXXZGU-FQEVSTJZSA-N 393.288 4.054 0 1 GIAF Cc1ccnc2c1CCN[C@]2(Cn1c(Cl)nc2ccccc21)c1ccccc1 963071588 KDEDZFIRWVBNGS-HSZRJFAPSA-N 388.902 4.483 0 1 GIAF Fc1ccc(F)c([C@]2(CC3OCCO3)c3c(F)cccc3C[C@H]3CCCN32)c1 963116322 WLZXJHUHEJQJMO-OPAMFIHVSA-N 389.417 4.131 0 1 GIAF COc1cc2c(cc1OC)-c1nc3ccc(C)cc3c(NCCCN(C)C)c1C2 1857557212 WDWKQRJHVBLNPM-UHFFFAOYSA-N 391.515 4.495 0 1 GIAF COc1cccc2nc(C[C@@H]3CN(CC4CCCCC4)CC[C@H]3CC(=O)O)[nH]c12 2356500975 JJAHUVDLAFVYOO-ZWKOTPCHSA-N 399.535 4.107 0 1 GIAF COc1cccc(CN2C(=O)COCc3cc(-c4cccc(O)c4)ccc32)c1 205224345 JXJJAPRCNFFKGT-UHFFFAOYSA-N 375.424 4.131 0 3 GIAF CC(=O)c1cccc(OCc2cc(C(=O)N3C[C@H]4C[C@H]5C[C@H]3C[C@H](C5)C4)no2)c1 263591749 GUTFVUHWTKMXNP-SXOLKLDHSA-N 394.471 4.107 0 3 GIAF C1=C(c2c[nH]c3ccccc23)CCN(CCOc2cccc3c2OCCO3)C1 595485 VKJKMBSENXEVKF-UHFFFAOYSA-N 376.456 4.107 0 1 GIAF O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 11816671 HSNFADDCAVQWLF-PLMTUMEDSA-N 390.483 4.336 0 1 GIAF CC1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3ccc(Cl)cc3Cl)nc21 13475181 IMKBJJNBWZXKTI-UHFFFAOYSA-N 389.242 4.161 0 1 GIAF c1ccc2c(c1)CCC[C@@H]2CCN1CCN(c2cccc3c2OCCO3)CC1 13743672 ZAXUTUNLFKXRSQ-HXUWFJFHSA-N 378.516 4.090 0 1 GIAF Fc1ccc([C@@H]2NCCO[C@@]23COC[C@H](c2cccc(C(F)(F)F)c2)C3)cc1 26503568 MGGPIJOHTZSPND-UXPWSPDFSA-N 395.396 4.448 0 1 GIAF O=C(c1cc2c(cn1)OC(c1ccccc1)(c1ccccc1)O2)N1CCCCC1 29054877 AGWFBLXHVMWDGS-UHFFFAOYSA-N 386.451 4.380 0 1 GIAF COc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@@H](C)C(=O)N(C)Cc1ccccc1)CC2 33910893 FHRKBQPOQZAXGE-NIJIEXERSA-N 381.516 4.203 0 1 GIAF biogenic C[C@@H]1[C@H](c2cccc(Cl)c2)OCC(C)(C)N1C(=O)CCN1CCCCC1 45209719 KLWRRDGRZPNIEA-OXQOHEQNSA-N 378.944 4.283 0 1 GIAF O=C1N(Cc2cc3ccccc3s2)C[C@H]2CN(Cc3ccsc3)CCN12 45372043 FUFYDOFZRWWSBZ-QGZVFWFLSA-N 383.542 4.085 0 1 GIAF CCCNS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1 72180475 NYNGLJDGJBCTFR-GOSISDBHSA-N 386.561 4.069 0 1 GIAF Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccc(F)cc2c1=O 73169489 VFXPGUSWBCYCOT-UHFFFAOYSA-N 397.446 4.360 0 1 GIAF Cc1cc(-c2nccnc2O[C@H]2CCN(c3ccc4ccccc4n3)C2)ccn1 96168811 UOCDJJBELZGEDH-IBGZPJMESA-N 383.455 4.053 0 1 GIAF COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCCCN1CCCC1 103271046 BXKXCRSNIHNVLD-UHFFFAOYSA-N 395.455 4.039 0 1 GIAF CN1CCC(c2ccc([C@H]3COC(=O)N3c3ccc4[nH]cnc4c3)cc2)CC1 116195345 DLNWRIQKKNYQQG-OAQYLSRUSA-N 376.460 4.070 0 1 GIAF COc1cccc(OC)c1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)CN2C 144334968 QOZFBZMAEMIROI-XAHYOPIXSA-N 394.515 4.049 0 1 GIAF CC[C@@H](C)Oc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1 169709207 RANMHCSIPZBWLI-HYFFOGBASA-N 397.519 4.114 0 1 GIAF Cc1ccc(B(CCc2ccccc2)OC(=O)c2ncccc2O)cc1Cl 195218557 QSVJKKDKZYCEPQ-UHFFFAOYSA-N 379.652 4.047 0 1 GIAF CN1[C@H]2C[C@H](C(=O)O)[C@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 195279703 RFSBZRWCRLFPFN-YSTOQKLRSA-N 387.426 4.007 0 1 GIAF O=C(NCc1cc(-c2ccc(F)cc2)no1)NCC12CC3CC(CC(C3)C1)C2 473155038 OLZITKGDADQGSI-UHFFFAOYSA-N 383.467 4.496 0 1 GIAF O=S(=O)(/C=C/c1nc2cc(Br)cc(Cl)c2[nH]1)c1ccccc1 586927062 TWJTUVFXAQSNGJ-VOTSOKGWSA-N 397.681 4.423 0 1 GIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Br)cccc2[nH]1 587037026 ADGXWYNQTHITAH-UHFFFAOYSA-N 396.270 4.191 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3cc(Br)cn3)cc1)O2 587370031 AMSDCLVBYMPYDA-SFHVURJKSA-N 398.260 4.232 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1ccc(OC(F)F)cc1)O2 587382931 PUZHNJJDMHYHQV-MHNQQFQPSA-N 388.414 4.115 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(N4CCC[C@H](C)C4)ccc1N)[C@@H](C2)C3=O 587434555 APNJYPMSUWVFBA-ULNAFTNLSA-N 392.499 4.177 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1C 587475394 NXYZSIVRPRQHAY-FPTDNZKUSA-N 389.492 4.326 0 1 GIAF C[C@@]1(CCCOc2ccccc2C(N)=O)CC(=O)c2ccc3c(c2O1)CCCC3 587512616 ZTMPJEPWEHPWDE-XMMPIXPASA-N 393.483 4.247 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn2cc(Cl)ccc2n1 587552516 SCAAMKIMVJMOAY-GHTZIAJQSA-N 392.798 4.396 0 1 GIAF CC1(C)[C@@]2(N)CC[C@@]1(C)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578725 XDJZVICGMADYTD-VAFVZNMKSA-N 379.456 4.020 0 1 GIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1S 587610200 BIGWWRSCQZRWQD-GHTZIAJQSA-N 380.421 4.392 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc(N)cc32)N1 587749015 ZNXREHNSYDZJNN-NSPYISDASA-N 375.285 4.285 0 1 GIAF CCn1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C2CC2)n1 587765813 UIGUFWVNGDHMTE-YPMLDQLKSA-N 378.289 4.306 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3cccnc3c2)N1 587776178 BNRPHWHELZOZAB-WYRIXSBYSA-N 386.268 4.329 0 1 GIAF C[C@H](CCC(=O)O)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587963420 VPGUVTKKDCPROH-SSDOTTSWSA-N 395.175 4.267 0 1 GIAF CC(C)CCOc1cc2[nH]c(/C=C/C=C\C(=O)O)nc2cc1Br 587965556 MWKYSVWYSIVDEX-UZNMPDEFSA-N 379.254 4.404 0 1 GIAF CCc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cccc(F)c1C 653816506 YHUGDDFDNDKQEE-UHFFFAOYSA-N 398.463 4.080 0 1 GIAF COc1ccc2c(c1OC)[C@H](c1nc(C)c(Br)s1)N(C)[C@@H](C)C2 962573398 RSWXFTOPTWFVRJ-LKFCYVNXSA-N 397.338 4.197 0 1 GIAF Cc1cc(C)cc([C@]2(c3ccnc(C)c3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963015967 BOEHVHGWJHYJIF-BCHFMIIMSA-N 397.522 4.352 0 1 GIAF C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@]2(NCCc3c(C(=O)O)cccc32)[C@@H]1C 963131871 PATYOCSBCPRNRY-ZEBYVZDLSA-N 392.543 4.291 0 1 GIAF C[C@@H]1Oc2c(cc(C(=O)Nc3nccs3)c3c2C=CC(C)(C)O3)C(=O)[C@H]1C 1772637766 BVDMOQMNUFYYTC-QWRGUYRKSA-N 384.457 4.179 0 1 GIAF Oc1ccc(Nc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1 1772655180 LDNWIEUVFNOYAL-UHFFFAOYSA-N 385.471 4.472 0 1 GIAF O[C@@H](CCN1CCN(c2ccccc2C(F)(F)F)CC1)c1ccc(F)cc1 1857632286 IDTKJVMAJLEXPB-IBGZPJMESA-N 382.401 4.090 0 1 GIAF COc1ccc(O)c(CC=C(C)CCC=C(C)CC[C@H](O)C(C)(C)O)c1O 2356413115 NSCCERMMAMCXJP-FQEVSTJZSA-N 378.509 4.234 0 1 GIAF Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)NCc1ccco1 4935758 DLHQRJCOXMBUPG-UHFFFAOYSA-N 388.471 4.164 0 3 GIAF Cn1cc(CN2CCC[C@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)cn1 12715315 QEGXCBLWTMLRHF-FQEVSTJZSA-N 392.478 4.077 0 3 GIAF O=C1c2ccccc2NC(=O)[C@@H]2[C@@H]1[C@H](c1ccccc1)C[C@@]2(O)c1ccccc1 1642573 UZEGZIRZTKQDJC-FGJSELGCSA-N 383.447 4.129 0 1 GIAF O=C1N(Cc2ccccc2)c2sccc2S(=O)(=O)N1Cc1ccccc1 6579974 VHSHYVYKFHNDKZ-UHFFFAOYSA-N 384.482 4.079 0 1 GIAF CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)Nc2ccccc2SC)C1 12320003 GNIJRHDOSNGTNI-SFHVURJKSA-N 384.549 4.322 0 1 GIAF COC(=O)Nc1cc(NC(=O)Nc2ccc(C)c(NC(=O)OC)c2)ccc1C 13377768 NTCBTPOLJUBKRI-UHFFFAOYSA-N 386.408 4.304 0 1 GIAF biogenic O=C(O)[C@H]1CCCN(CCO[C@@H](c2ccc(Cl)cc2)c2cccs2)C1 13729447 BWHLJWJFATWFTH-YJBOKZPZSA-N 379.909 4.304 0 1 GIAF C[C@@H]1C(=O)CC[C@@]2(C)C1=NC[C@H]1[C@@H]3CC[C@H](C(=O)NC(C)(C)C)[C@@]3(C)CC[C@@H]12 13737950 UGTPPIKWZTVVAM-PWHMMHKJSA-N 386.580 4.420 0 1 GIAF Cc1cc([C@@H]2[C@H](C(C)C)CC[C@@]2(C)C(=O)O)c(C(=O)O)c(O)c1Br 15267073 CUEYFKVUWNYWDV-OGJWQKAUSA-N 399.281 4.402 0 1 GIAF biogenic O=S(=O)(Cc1nnc(-c2ccccc2Cl)s1)c1ccc(Cl)cc1 40403079 HHKMDSXLAQSPAR-UHFFFAOYSA-N 385.297 4.486 0 1 GIAF COC(=O)c1cccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)c1 114593312 ZLBHXMKNUSHLCO-UHFFFAOYSA-N 395.889 4.451 0 1 GIAF CCCC(C)(C)[C@H](O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 169324016 XGQFAGOOVNIUCC-HGCXXSQWSA-N 396.568 4.200 0 1 GIAF Cc1ccc(-c2c[nH]c(NC3=NN(C(N)=S)[C@@H](c4ccc(C)cc4)C3)n2)cc1 169350077 DSWYEPBEWPWSQX-GOSISDBHSA-N 390.516 4.110 0 1 GIAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(Cl)c1 169723954 YBIKDBYTIIQUOE-DOTOQJQBSA-N 377.868 4.303 0 1 GIAF O[C@H](CCCN1C=C[C@@](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 299853530 MFRRKLRVXZYOMO-RTWAWAEBSA-N 375.871 4.400 0 1 GIAF Oc1cccc(CCCCc2nc3cccc(I)c3[nH]2)c1 586896484 RRVLYJHTIZRUJP-UHFFFAOYSA-N 392.240 4.439 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(F)cc3[nH]2)cc1 586948423 HZROQLPEBBLZCL-UHFFFAOYSA-N 381.432 4.478 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(-c3sc(Br)nc3C)nc2c1 587010567 COHKVGCJIMNEKD-UHFFFAOYSA-N 386.658 4.197 0 1 GIAF CCOC(=O)[C@H](F)[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587104059 QTLVSLFKZDMOTE-WHEQGISXSA-N 389.426 4.452 0 1 GIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cncc(Cl)c2[nH]1 587114289 YMPJNBMIMPJCOD-MRXNPFEDSA-N 382.773 4.030 0 1 GIAF CCOC(=O)[C@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587399857 MQINNCWOCNCKDI-HSZRJFAPSA-N 381.472 4.299 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(Br)c1)[C@@H](C2)C3=O 587413785 QFUZMWIXGHKGNZ-ORAYPTAESA-N 389.245 4.129 0 1 GIAF Cc1nn(CC(=O)OC(C)C)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516488 UICRMXBGFJCNAB-FQEVSTJZSA-N 396.487 4.037 0 1 GIAF CCc1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 587769457 GGTAXWQYDDFUFO-VOJFVSQTSA-N 388.284 4.422 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccncc2)N1 587778949 PBJUPXQOTZDQOE-ADLMAVQZSA-N 377.257 4.006 0 1 GIAF C=C1C=C(C)n2ncc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2N1 587796137 PJQLMTFIAYGZBG-BMLIUANNSA-N 389.272 4.208 0 1 GIAF COCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587806577 KAHRHXVIIMGTBT-ZMZPIMSZSA-N 380.257 4.195 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@]1(C)CC[C@H]2C1(C)C 587826115 GMEIZAJQKRURFS-NYEACBIASA-N 380.301 4.343 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2cc3c(cc2s1)OCCO3 587872147 IGCRZHAVTGMRBM-UHFFFAOYSA-N 397.431 4.458 0 1 GIAF COc1cc(C)ccc1-c1nc2c(I)cnc(Cl)c2[nH]1 587925775 PUAWKELSFXKFFX-UHFFFAOYSA-N 399.619 4.200 0 1 GIAF CCCCC[C@]12C[C@@]1(C(=O)OCC)C(=O)Nc1ccc(Br)cc12 653759938 FLGARVIJXJZDND-MSOLQXFVSA-N 380.282 4.173 0 1 GIAF CCOC(=O)c1ccc([C@]2(c3ccco3)NCCc3cc(C)c(F)cc32)s1 962148170 RHEBPEKGLMERHS-NRFANRHFSA-N 385.460 4.403 0 1 GIAF CC(C)Nc1ncc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cn1 962645857 RZHYCDGGAPYFNA-LADGPHEKSA-N 399.542 4.133 0 1 GIAF CN1C(=O)C[C@H]2CN[C@@](CC(=O)c3ccccc3)(c3ccccc3)c3cccc1c32 963022446 JELXPXTZJDRSLJ-SIBVEZHUSA-N 396.490 4.257 0 1 GIAF CNc1ncc([C@]2(C(C)(C)C)NCCc3cc4cccc(OC)c4nc32)s1 963053019 FWNPPNMTLVDYDE-NRFANRHFSA-N 382.533 4.177 0 1 GIAF CCCN1[C@H](c2cn(-c3ccccc3)nc2C(=O)OC)c2ccccc2C[C@H]1C 963236211 XUARDIPTZZNQBS-HXOBKFHXSA-N 389.499 4.405 0 1 GIAF COc1cc(F)cc(OC)c1[C@@H]1c2cccc(Br)c2CCN1C 963281394 SEMMGPZNZMFNRO-SFHVURJKSA-N 380.257 4.183 0 1 GIAF COc1ccc(N2C(=O)N(c3cccc(Cl)c3)C(=N)C2=S)c(OC)c1 1772575190 LHSXRMYKYOLSSM-UHFFFAOYSA-N 375.837 4.108 0 1 GIAF Cn1cc(CO)c(C2=CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)n1 1772621617 FYEUSKRMCBFZOS-IGJOJHROSA-N 382.548 4.229 0 1 GIAF COc1ccc([C@@H]2[C@H]3C=CC=C[C@H]3C(=O)N2c2ccc3nc[nH]c3c2)cc1F 1772654575 WGJVCYNPCKHATC-GCKMJXCFSA-N 375.403 4.157 0 1 GIAF CC1(C)CCC[C@]2(C)C3=C(COC3=O)C[C@@H](OC(=O)C=Cc3ccc(O)cc3)[C@H]12 2356323912 FLLYIKBNXZGXFU-MEKIYTOJSA-N 396.483 4.407 0 1 GIAF O=C(NCCCCc1ccccc1)[C@@H]1CC(c2ccccc2C(F)(F)F)=NO1 13478535 BHKKFANHGWIBPD-IBGZPJMESA-N 390.405 4.338 0 3 GIAF Cc1ccccc1C(=COCCN1CCC=C(C(=O)O)C1)c1ccccc1C 1894361 YKYOKMPRDBMFGC-UHFFFAOYSA-N 377.484 4.426 0 1 GIAF CCc1ccc(-n2c(CC)nc3c(sc4nccc(N(C)C)c43)c2=O)cc1 13676155 GTWDLILEKFSCOA-UHFFFAOYSA-N 378.501 4.186 0 1 GIAF C[C@H]1C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)C(C)(C)C)cc1 27194557 IPCPSNUGFLGJAU-YCRPNKLZSA-N 394.471 4.008 0 1 GIAF COc1ccc2[nH]c3c(c2c1)[C@H]1CCN(C1)[C@H]3C(=O)O[C@@H](C)c1ccccc1 28948247 QOYBOGLFRNMXIM-KHJUTWJGSA-N 376.456 4.325 0 1 GIAF Fc1ccccc1C1=NCC(=S)Nc2ccc(I)cc21 34384098 ITRNMQPSCGAUEL-UHFFFAOYSA-N 396.228 4.021 0 1 GIAF Cn1c(C(=O)c2ccc(Cl)cc2)cnc1SCCCN1CCCCC1 40913357 JXUJBAFCQZYLGX-UHFFFAOYSA-N 377.941 4.273 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)ccc31)[C@H]1CC[C@@H](C2)N1 72316666 DCGVXRIATHGRTP-SUMWQHHRSA-N 386.904 4.014 0 1 GIAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82136278 GZRSSUMSWDVPHR-IFXJQAMLSA-N 382.483 4.413 0 1 GIAF CN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(-c4ncn(C)n4)cc23)CC1 95583045 QHNXJRSEHMJHRM-UHFFFAOYSA-N 389.478 4.374 0 1 GIAF CCCOc1cc2c(c3c1C[C@@H]1[C@@H](C)CO[C@]1(C)O3)C[C@@H]1[C@@H](C)CO[C@]1(C)O2 96900982 IRVCQNXDMDICEG-QYPUIUDDSA-N 388.504 4.343 0 1 GIAF O[C@@H](CNc1cc(-c2ccc(OCC(F)(F)F)cc2)ncn1)c1ccccc1 103261298 SNYSYRDFSADYLZ-SFHVURJKSA-N 389.377 4.230 0 1 GIAF C[C@]1(c2cc(Cl)cc(NC(=O)c3ccc(Cl)cn3)c2)CCSC(N)=N1 141480469 ISFYHTGWOJKTMA-QGZVFWFLSA-N 395.315 4.308 0 1 GIAF N[C@H]1CCN(c2nnc(-c3ccc4[nH]cc(-c5ccccc5F)c4c3)s2)C1 145375488 CQJNXVJJHWGYQQ-ZDUSSCGKSA-N 379.464 4.030 0 1 GIAF O=C(c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)N1CCCC12CCNCC2 146511351 MXLHRZGVGNVOCE-UHFFFAOYSA-N 393.506 4.047 0 1 GIAF CCc1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1Br 586977393 MXWOPJDNQOFZBM-UHFFFAOYSA-N 382.059 4.059 0 1 GIAF COc1ccc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)c(C(F)(F)F)c1 587098824 XIBMPEWNTSFSBN-UHFFFAOYSA-N 379.382 4.198 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587161742 BXHWLNXEEMBRJT-DLBZAZTESA-N 387.480 4.052 0 1 GIAF CC(C)[C@@H](c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)N(C)C 587199192 ZFECTDMTOUULPP-LBPRGKRZSA-N 380.208 4.483 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)nc(Cl)c3[nH]2)CCC(=O)CC1 587234779 VYKVOFIBLAVLJN-UHFFFAOYSA-N 399.278 4.128 0 1 GIAF N=c1ncc(-c2cccc(-c3nc4cc(F)cc(Br)c4[nH]3)c2)c[nH]1 587254831 QLUYOKJXTGBKMV-UHFFFAOYSA-N 384.212 4.001 0 1 GIAF O=C(O)c1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1Cl 587368095 ASQGUVWQWSBVCM-UHFFFAOYSA-N 393.786 4.122 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)c4ccccc4)cc1)[C@@H](C2)C3=O 587443490 QPPKPTZQIWSHHZ-WMZHIEFXSA-N 386.403 4.403 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4ccsc4C(=O)c4ccsc41)[C@@H](C2)C3=O 587454502 XOPKTWACUPUUGO-RNODOKPDSA-N 380.446 4.054 0 1 GIAF C[C@]1(c2cccc(N3CCOCC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587518796 PVFTYOATZNYDLL-XMMPIXPASA-N 377.484 4.283 0 1 GIAF C[C@@H](Oc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(=O)O 587526582 YJJOVTDQCAIAIR-FATZIPQQSA-N 380.440 4.298 0 1 GIAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1-c1ccccc1 587575202 DJZRVDIKARTINZ-REWPJTCUSA-N 398.418 4.496 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccco2)nc1 587589894 YMMGLDCXJATBSU-WIYYLYMNSA-N 386.363 4.145 0 1 GIAF Cc1nc(C)c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)s1 587657943 GRMCPBKNPUMRCR-UHFFFAOYSA-N 397.406 4.104 0 1 GIAF COc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587701307 XAHXOOFIUGBMSX-AYVTZFPOSA-N 385.664 4.269 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2C(=O)C(F)(F)F)N1 587709274 JXPKNDMLXNECOT-OWCSCZDJSA-N 394.206 4.249 0 1 GIAF Cc1[nH]nc2c1[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798633 UPKVOLUXMJWJAW-OVWNDWIMSA-N 392.316 4.370 0 1 GIAF COC(=O)c1cc(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587811270 WETMMXZURWWNOM-ADLMAVQZSA-N 392.268 4.307 0 1 GIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c(Cl)c(Br)cnc4[nH]1)(C3)C2 587969618 RECORXIQWJLKAY-BTBJQWHKSA-N 380.673 4.021 0 1 GIAF Cc1cc(-c2ccc([C@]3(C)N[C@H](C(=O)O)Cc4cc(F)ccc43)cc2)ccc1O 962903661 XMLRZYVMBPCDHD-URXFXBBRSA-N 391.442 4.369 0 1 GIAF Cc1cc([C@]2(C3CC3)NCCc3nc4ccccn4c32)ccc1Br 962998266 UEJYMEQHGFAJHQ-FQEVSTJZSA-N 382.305 4.205 0 1 GIAF COc1ccc2[nH]cc([C@H]3CC(c4cc(OC)c(OC)c(OC)c4)=NO3)c2c1 1857650639 OECBJEQCZIBJAE-GOSISDBHSA-N 382.416 4.068 0 1 GIAF CC(C)[C@]12C=C3[C@H](O)C[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]3C[C@@H]1OC(C)(C)O2 2356490129 XVQABXWHRIIOBL-PQQFAABQSA-N 392.536 4.141 0 1 GIAF O=C(CCCN1C(=O)c2cccnc2Oc2ccc(Cl)cc21)N1CCCCC1 6878164 FODJRIJXMIDZOF-UHFFFAOYSA-N 399.878 4.280 0 3 GIAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1 775047 NUZURGYJZYBUCN-KSSFIOAISA-N 382.435 4.285 0 1 GIAF CC[C@H]1CC[C@@H](C)N(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C1 3955316 MGGUYQNXKXLTRC-CABCVRRESA-N 380.467 4.475 0 1 GIAF CC(C)Oc1ccccc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579632 NDZVZCZUKOWNRP-LJQANCHMSA-N 375.896 4.407 0 1 GIAF CCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13823672 JGQQUWJBOPHOAR-UHFFFAOYSA-N 384.863 4.395 0 1 GIAF CC(C)=CCC[C@@](C)(O)[C@@H](O)CC/C(C)=C/Cc1cc(C(=O)O)ccc1O 14511571 JXAFVRIAOQJYNY-SOIYMVPVSA-N 376.493 4.218 0 1 GIAF COc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1 14957338 JCCJOFRCRNWJTG-UHFFFAOYSA-N 393.378 4.264 0 1 GIAF CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(CC2CC2)c1=O 26567514 GFKVLYGLPXBCKI-UHFFFAOYSA-N 399.535 4.272 0 1 GIAF CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4)c3)c2C1 29055280 KNRZTRNOALIQDO-MRXNPFEDSA-N 378.476 4.323 0 1 GIAF COc1ccc(-c2nnsc2SCC(=O)Nc2ccccc2F)cc1 40937105 LDGJBHLHBMLKQA-UHFFFAOYSA-N 375.450 4.084 0 1 GIAF O=C(O)[C@@H]1CCCN(CCO[C@H](c2ccc(Cl)cc2)c2cccs2)C1 58615806 BWHLJWJFATWFTH-CRAIPNDOSA-N 379.909 4.304 0 1 GIAF CC(C)(C)OC(=O)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72101092 MWZHLEVUUNIRMX-IBGZPJMESA-N 387.911 4.377 0 1 GIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1 79091418 DQJSMPMSGCZRKT-UXHICEINSA-N 391.467 4.398 0 1 GIAF COCCn1c(C2CCCCC2)nc2c(NCCc3ccccc3F)ncnc21 82180784 ATKOKCGDYUKLDN-UHFFFAOYSA-N 397.498 4.314 0 1 GIAF COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4OC)c3c2s1 96270444 ZPXSIWLYMMFFCE-UHFFFAOYSA-N 383.408 4.103 0 1 GIAF O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCCCC[C@@H]1O 103205817 POUONQOMARONLW-KBPBESRZSA-N 385.835 4.184 0 1 GIAF Fc1cc(F)cc(-c2ccc3nnc(COc4cnc5ccccc5c4)n3n2)c1 166061465 ZVZCATGXJYPCKP-UHFFFAOYSA-N 389.365 4.197 0 1 GIAF Cc1ccc([C@H]2C[C@@H]2c2cc(-n3nc(C)nc3Cc3ccccc3)nc(C)n2)nc1 205280879 BAHAFDOBADABSR-PMACEKPBSA-N 396.498 4.239 0 1 GIAF O=C(O)c1ccc2nc(-c3cc4cc(F)ccc4o3)c(N3CCCC3)nc2c1 205441633 CQZZHWXGJVDZEC-UHFFFAOYSA-N 377.375 4.481 0 1 GIAF COC(=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1OC 587052962 VRRUEWMNAVDIIE-UHFFFAOYSA-N 381.819 4.469 0 1 GIAF Oc1nc(O)c2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2n1 587060478 NKNNVNNLYUUCIQ-UHFFFAOYSA-N 389.802 4.300 0 1 GIAF COc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Cl 587120343 ZDBDFFVBPWXKBD-UHFFFAOYSA-N 384.789 4.367 0 1 GIAF CC(C)COc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1Br 587136525 QNMJGPMIRLHKQC-UHFFFAOYSA-N 393.260 4.331 0 1 GIAF COc1nccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c12 587138484 KSSZXPYIZZGQFO-UHFFFAOYSA-N 381.338 4.277 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](COc1ccc(C=O)cc1)(c1ccccc1)O2 587402318 XFNICMHTRCFAKG-DEOSSOPVSA-N 387.435 4.329 0 1 GIAF COc1cc2c3c(c1)OC1(CCC(C4CCC5(CC4)OCCO5)CC1)[C@@H](C2)C3=O 587452114 JKFDMYKKABVZBN-PELQFQBLSA-N 398.499 4.305 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccccc4OC)o1)[C@@H](C2)C3=O 587455661 PECMGOVFMVFIDS-QMHKHESXSA-N 392.407 4.365 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C[C@H](C)C(=O)O)(c1ccc(OC)cc1)CC2=O 587483003 SZDQXXMYYSXANF-PSLXWICFSA-N 398.455 4.325 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c(C(=O)OCC)c1C)CC2=O 587483184 LHTGXMOJGSZKQG-JOCHJYFZSA-N 385.460 4.347 0 1 GIAF CCc1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn12 587588667 RFQCHTBXKSOHSX-CVDCTZTESA-N 386.407 4.305 0 1 GIAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602930 KBNYLSVQWQCDBM-GHSIXCKFSA-N 394.423 4.004 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2snnc2c1 587617870 LKKYTLSOZXSKPB-XLIONFOSSA-N 376.393 4.100 0 1 GIAF O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1cccc(C(F)(F)F)c1 587652259 ZQNIUZCSVAFRRH-UHFFFAOYSA-N 383.782 4.314 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1N1CCCC1 587872708 SBPMDHWOVMNMKO-UHFFFAOYSA-N 379.435 4.377 0 1 GIAF CCOc1ccc(OCC)n1C[C@@H](c1cccc(Br)c1)N(C)C 587940175 NGERKLXKKPIWSN-INIZCTEOSA-N 381.314 4.351 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc(C[C@@H]4CCC(=O)[C@@H]4C)[nH]c3c2)cc1 587964024 YLKHAPHQBWDFKD-HIFRSBDPSA-N 378.428 4.300 0 1 GIAF Oc1ccc(-c2nc(O)c3c4c(sc3n2)CN(Cc2ccccc2)CC4)cc1 1772576526 DPYKFGGHEFSUEG-UHFFFAOYSA-N 389.480 4.328 0 1 GIAF CN(C)CCCOc1cccc(CNC(=O)c2ccc(-c3ccncc3)cc2)c1 1857535395 OTJCUPAITLBALS-UHFFFAOYSA-N 389.499 4.009 0 1 GIAF O=C(Nc1ccc2[nH][nH]c(=Nc3cccc4ccccc34)c2c1)C1CCOCC1 1857634762 WMMOWBCDCOMAGL-UHFFFAOYSA-N 386.455 4.247 0 1 GIAF COc1ccc(NC(=O)[C@@]2(C)CCN2Cc2ccc3ccccc3c2)cc1OC 61905477 DPIBSNKYQCYPSJ-XMMPIXPASA-N 390.483 4.460 0 3 GIAF Nc1nc(=O)n(CCCOc2ccccc2)cc1-c1ccc(Cl)c(Cl)c1 17040266 UROXLBPXBLYAAS-UHFFFAOYSA-N 390.270 4.268 0 1 GIAF C[C@H](c1nccs1)N(C)Cc1ccc(-c2nc(-c3ccoc3)cc(=O)[nH]2)cc1 23379920 TXXCDSUMZFSMMZ-CQSZACIVSA-N 392.484 4.346 0 1 GIAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 26399181 GYORZCSFWWIIFC-KQTHGUNBSA-N 388.596 4.382 0 1 GIAF CN(C)c1ccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)cc1 28471083 ZMIXZCOYFOZFGM-UHFFFAOYSA-N 384.487 4.073 0 1 GIAF CC[C@]1(CCCCN2CCN(c3ccccc3)CC2)C(=O)N(C)c2ccccc21 29052978 RVQMTJJHPYXXSR-RUZDIDTESA-N 391.559 4.303 0 1 GIAF O=C(OCc1ccccc1)[C@@H]1COC(c2cccnc2Sc2ccccc2)=N1 49781481 SDSKZIHMOAZBOP-IBGZPJMESA-N 390.464 4.122 0 1 GIAF CNC(=O)c1cc(Oc2ccc(NC(=S)Nc3ccc(F)cc3)cc2)ccn1 84653736 HTQWAGDYTLZQEZ-UHFFFAOYSA-N 396.447 4.182 0 1 GIAF O=C(Nc1ccc(F)cc1)c1c(N2CCCC2)cc(-c2ccccc2)oc1=O 84742532 HFOAVBCMROIPNA-UHFFFAOYSA-N 378.403 4.298 0 1 GIAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(-c3ccco3)cc12 96907163 BSCFQWLVUOTQPC-UHFFFAOYSA-N 396.491 4.009 0 1 GIAF O=c1[nH]nc2n1-c1ccc(OCc3c(Cl)cccc3Cl)cc1SC2 96933885 QIIBKXLHEJQGIR-UHFFFAOYSA-N 380.256 4.052 0 1 GIAF O=C1c2cnn(C3CCCCCC3)c2CCCN1C1[C@H]2CC3C[C@H]1CC(O)(C3)C2 101668618 WMVRFCCRSLJNEF-CUAKFFPHSA-N 397.563 4.106 0 1 GIAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccccc3Cl)CC2)o1 103291317 USCVZJVLKAJKSB-UHFFFAOYSA-N 381.863 4.266 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4C=C(O)[C@@H]5C[C@@H]5[C@]4(C)[C@@H]3CC[C@]12C 169323155 LNBRDPIYZGBLLR-LEHXZASUSA-N 384.564 4.466 0 1 GIAF COc1ccc(-n2c(O)cc(Sc3nnc(-c4ccc(C)cc4)[nH]3)c2O)cc1 169691932 PQBXYTATZZSVQP-UHFFFAOYSA-N 394.456 4.142 0 1 GIAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(Cl)c1 169723955 YBIKDBYTIIQUOE-WBVHZDCISA-N 377.868 4.303 0 1 GIAF CCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1 219330057 YPAFPGOEBJGULD-UHFFFAOYSA-N 389.459 4.206 0 1 GIAF O=c1sc2cc(Br)ccc2n1CCCN1Cc2ccccc2C1 299866633 PFQBISIDCCLLJJ-UHFFFAOYSA-N 389.318 4.231 0 1 GIAF COc1cc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2cc1F 586919264 YJAJEBIHMHKDRF-UHFFFAOYSA-N 396.418 4.228 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(O)c3[nH]2)C[C@@H]2CCCC[C@@H]21 587025155 DZALTVBTENYMEE-XIRDDKMYSA-N 381.501 4.405 0 1 GIAF Clc1ncc(I)c2nc(/C=C/c3ccsc3)[nH]c12 587025839 ONXFVBCHQYIPNV-OWOJBTEDSA-N 387.633 4.448 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@H]3Cc4ccccc4S3)nc-2[nH]1 587043875 WLYCGSRULITRPC-OAHLLOKOSA-N 375.457 4.012 0 1 GIAF COC(=O)c1cc2nc(-c3cnc(Cl)nc3)[nH]c2c(F)c1Nc1ccccc1 587085892 MQZMVNBBOQOGRK-UHFFFAOYSA-N 397.797 4.343 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587104019 MCCYMBOOQAEMKO-ZDUSSCGKSA-N 386.451 4.438 0 1 GIAF CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c12 587153178 MWBUJGXJXKVHOM-UHFFFAOYSA-N 395.459 4.286 0 1 GIAF COC(=O)C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353687 RUUFROZCDQNLNY-SIKLNZKXSA-N 386.419 4.238 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3[C@H]1CCN3C(=O)OC(C)(C)C)O2 587402370 ZPYSRWLOFHUJBA-JLDZCNIISA-N 386.492 4.091 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4C(=O)O)o1)[C@@H](C2)C3=O 587456965 YQKYMZCGQBTOIQ-BTYIYWSLSA-N 376.364 4.142 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N[C@@H](C)c1ccccc1)CC2=O 587470402 MIXLXWAVRDWTHO-NPMXOYFQSA-N 381.472 4.336 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(Cc1ccccc1)CC2=O 587481478 MTEPBXVXFIRYNR-QHCPKHFHSA-N 382.456 4.245 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccc2nccn12 587551964 LUFYPFWHXVSVDF-LAUBAEHRSA-N 392.798 4.396 0 1 GIAF CN(C)CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613708 PTKSUYKFTRGTLH-DENIHFKCSA-N 395.480 4.263 0 1 GIAF CCCn1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587759142 SQWRSADQPDKWCI-ADLMAVQZSA-N 380.305 4.301 0 1 GIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587805708 HGVGHPUCZUFUED-NSPYISDASA-N 394.284 4.403 0 1 GIAF CCOc1ccc([C@@]2(c3cccc(OC)n3)NCCc3ccc(F)c(C)c32)cc1 962095098 VHFVXVCVFYXMEO-DEOSSOPVSA-N 392.474 4.374 0 1 GIAF CC(C)c1nn(C)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1F)NCC2 962913152 QUAYBJHUGCJMHC-HSZRJFAPSA-N 379.479 4.497 0 1 GIAF OC12CCC([C@@H]3NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)(CC1)CC2 962962557 WDGSJOPDHURPMG-LWEYNCJUSA-N 395.465 4.483 0 1 GIAF CCCc1nnc(-c2ccc([C@H]3N[C@H](C)Cc4c(OC)ccc(OC)c43)cc2)o1 963583947 RTKPSMFMYVIFMP-JLCFBVMHSA-N 393.487 4.330 0 1 GIAF CC=CC(=O)N(CCCC)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 2356849762 PXRRRNPVRLIYLM-JOCHJYFZSA-N 386.536 4.390 0 1 GIAF COc1ccc2c(c1O)CCc1c(Cc3ccc(O)cc3)c(O)cc(OC)c1-2 13460632 KZBOGBHKRGJKGR-UHFFFAOYSA-N 378.424 4.177 0 1 GIAF biogenic Cc1c(C)c2c(c(C)c1O)[C@@H](CN1CCN(Cc3ccccc3)CC1)C(C)(C)O2 22934307 YGEZOQHLPXLULX-OAQYLSRUSA-N 394.559 4.390 0 1 GIAF O=C(c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc(Cl)cc2)c1=O 25230571 UEXMKPITTIFPMO-ZBFHGGJFSA-N 394.858 4.021 0 1 GIAF biogenic Fc1ccc2[nH]cc(CCCN[C@@H]3COc4c(ccc5ncccc45)C3)c2c1 28821564 QAFKQHROGWDLNJ-SFHVURJKSA-N 375.447 4.381 0 1 GIAF COc1ccc2[nH]c3c(c2c1)[C@H]1CCN(C1)[C@H]3C(=O)O[C@H](C)c1ccccc1 28948251 QOYBOGLFRNMXIM-WEBUEUPWSA-N 376.456 4.325 0 1 GIAF CCCCC(C)(C)[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)O 29322752 NWYKVXPSSKITNL-OUUBHVDSSA-N 386.573 4.127 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(Cl)c31)[C@H]1CC[C@@H](C2)N1 96175202 AWUGQHJDRNZLDK-YVEFUNNKSA-N 386.904 4.014 0 1 GIAF CC(C)(C)C(=O)Nc1ccc(SCC(=O)Nc2cc(Cl)ccn2)cc1 96908534 AAHKCPSEMYUPCG-UHFFFAOYSA-N 377.897 4.450 0 1 GIAF C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3cccc(Cl)c3)nn21 473100608 IJRZBSAVSSXKDK-CYBMUJFWSA-N 385.826 4.476 0 1 GIAF COc1ccc(C=O)c2cc(-c3nc4c(Br)ncc(F)c4[nH]3)oc12 586904532 WFOJEUDDQBIDRU-UHFFFAOYSA-N 390.168 4.094 0 1 GIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 586930108 FTBGQSVEJQKZSF-UHFFFAOYSA-N 397.422 4.279 0 1 GIAF CC(=O)N[C@H](Cc1nc2cc(C)cc(C)c2[nH]1)c1ccc(Br)cc1 586984567 GVRGGVVFWMPTIJ-MRXNPFEDSA-N 386.293 4.362 0 1 GIAF CCOC(=O)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586995707 MZKRYFVFXZQRMV-UHFFFAOYSA-N 388.265 4.157 0 1 GIAF Brc1nccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587016598 YWPQDHYRNUKIDD-UHFFFAOYSA-N 399.273 4.446 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(C)nccc3[nH]2)c1 587147725 YPYVEGOACSYDRX-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF COc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)nn1-c1ccccc1F 587157247 YNFHMMAVGAUBRP-UHFFFAOYSA-N 378.194 4.265 0 1 GIAF CCOC(=O)CNc1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 587223325 BZFVVCXNVFYZRH-UHFFFAOYSA-N 392.228 4.107 0 1 GIAF CCOC(=O)C[C@]1(Cc2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587376954 DYXCQMTVFMHWGE-NRFANRHFSA-N 387.863 4.131 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1c(C)noc1C)[C@@H](C2)C3=O 587436778 TUEHEXJGYGPXSO-SBUREZEXSA-N 391.423 4.368 0 1 GIAF CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438440 OFSHZMQIJCQINS-QRQCRPRQSA-N 391.423 4.150 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(N3CCOCC3)c1)CC2=O 587467861 SYLCNCMFYRQWCL-NRFANRHFSA-N 385.435 4.027 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C[C@@H]1F)CC2=O 587471141 JBVCAKNVMNQPOR-JTHBVZDNSA-N 383.463 4.293 0 1 GIAF CCOC(=O)C[C@@]1(c2ccccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587522650 GNHKFSYWAHQGRE-XMMPIXPASA-N 394.467 4.388 0 1 GIAF Cn1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1-c1ccccc1 587578409 ACNZLRDFATZELL-RDPSFJRHSA-N 398.418 4.496 0 1 GIAF CN1C(C)(C)CC2(CC1(C)C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581848 JHGCXKLUULLBJT-GOSISDBHSA-N 381.472 4.375 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@H](C)C1 587595201 JWBJWVWZLOOWHC-SRFGJNCWSA-N 396.439 4.092 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)c(C(=O)Nc3ccccc3)c2c1 587649954 FHOZIBDFENHJRO-UHFFFAOYSA-N 390.464 4.491 0 1 GIAF COC(=O)c1ccc(F)c(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587659255 ZSDSBZTYOPMHDX-UHFFFAOYSA-N 392.361 4.118 0 1 GIAF COc1ncc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587693425 DEMGOMIYDJDYJV-XYZCENFISA-N 399.691 4.443 0 1 GIAF COc1cc(F)c2c(c1)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587738146 KJJIXIWNJCLEQI-APBUJDDRSA-N 394.259 4.460 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccn2)N1 587753441 IULNJZXQZISCPG-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(c3ccccc3)C2)N1 587766697 HLDIYIDVULIYMR-YJYMSZOUSA-N 375.285 4.228 0 1 GIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1 587786942 TYGFIXHOSNPWBO-VXGBXAGGSA-N 389.224 4.408 0 1 GIAF COCCOC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792847 LQEJURAAWQRZEF-KPZWWZAWSA-N 388.321 4.027 0 1 GIAF CCOC(=O)C[C@]1(C2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799840 UHDPXQDNKMJCFR-HXPMCKFVSA-N 398.316 4.461 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1n[nH]cc1Cl 587853993 CQNRUNBJXYEHDC-UHFFFAOYSA-N 385.638 4.321 0 1 GIAF COc1ccccc1-c1cc(O)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1O 587934547 HTZGVTUZXCKSIG-UHFFFAOYSA-N 378.428 4.120 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1cnn(-c3ccccc3C)c1)N(C)[C@H](C)C2 962624838 LCVTZVNIMKQBRX-WAIKUNEKSA-N 377.488 4.164 0 1 GIAF COC(=O)c1[nH]c2ccccc2c1[C@H]1NCCc2c(Cl)cc(Cl)cc21 963125376 UPSJWNVESBXSJA-KRWDZBQOSA-N 375.255 4.496 0 1 GIAF CCCOc1ccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)no2)cc1 1857774205 YZQOFARLQSRFCB-UHFFFAOYSA-N 388.370 4.087 0 1 GIAF COc1ccc([C@H]2c3ccccc3[C@@H](c3ccc4c(c3)OCO4)[C@@H]2C(=O)O)cc1 13736722 QDRPQGXYQQITQV-YTFSRNRJSA-N 388.419 4.402 0 1 GIAF CC[C@@]1(C(C)=O)CN(C(=O)OC)C[C@H]1c1ccc(OC)c(OC2CCCC2)c1 13744999 VKLSPPITZQCVKV-AVRDEDQJSA-N 389.492 4.168 0 1 GIAF Cc1ccc(-c2nc3nc(CNc4cc(Cl)ccc4C)cc(O)n3n2)cc1 14609031 BETURACTZUQTCB-UHFFFAOYSA-N 379.851 4.379 0 1 GIAF CC(C)NC(=O)N[C@H]1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 26642493 CMDFRRMXFCTMKL-QHCPKHFHSA-N 393.531 4.329 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1cccc([C@H](C)N3CCCC3)c1)C2 28334801 JJRNYZDOVACYLA-OYHNWAKOSA-N 381.472 4.047 0 1 GIAF C[C@]1(c2cccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2)CCSC(N)=N1 96174383 LIIKCMUGEUYUSJ-QGZVFWFLSA-N 394.422 4.020 0 1 GIAF COc1ccc(OC)c(/C=C/C2=NN(C(C)=O)[C@@H](c3ccc(Cl)cc3)O2)c1 103195788 JWKMOVCTYOPMSG-HSSRVXSRSA-N 386.835 4.261 0 1 GIAF CCN1C[C@@H](c2ccccc2)OC(=O)[C@H]1CC(=O)Nc1ccc(C(C)C)cc1 117770854 DCWMQAIFTKVWMM-RTWAWAEBSA-N 380.488 4.127 0 1 GIAF c1ccc(CNc2n[nH]c3ccc(-c4cn(Cc5ccccc5)nn4)cc23)cc1 146440058 BVINQNIBFNAFME-UHFFFAOYSA-N 380.455 4.482 0 1 GIAF Cc1c(N2CCN(c3ccc4ncsc4c3)C2=O)cncc1C(F)(F)F 149253531 PQDCNVLLXWMGJD-UHFFFAOYSA-N 378.379 4.465 0 1 GIAF Cc1ccccc1CNCCc1ccc(Oc2ccc(C(N)=O)cn2)c(Cl)c1 165300812 CXNQMWBTXBRWLE-UHFFFAOYSA-N 395.890 4.267 0 1 GIAF Cc1ccc(S(=O)(=O)n2cc([C@H](O)c3ccccc3)c3ccccc32)cc1 199287153 UNYIGAIOXWNRRB-JOCHJYFZSA-N 377.465 4.268 0 1 GIAF C[C@@](O)(c1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)cc1)C(F)(F)F 216022261 OWLIKKFNXZIYMS-MRXNPFEDSA-N 384.741 4.351 0 1 GIAF COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2ccncc2)CC1 299865801 UOGHQTLYJXGECW-UHFFFAOYSA-N 387.911 4.201 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NC[C@@H](O)CC 299875150 COALRPBIMWYHQZ-ZOCIIQOWSA-N 398.906 4.380 0 1 GIAF NC(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586987853 SROUYXJTPBDPKX-UHFFFAOYSA-N 381.391 4.309 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005268 QKXQKNGGRFLXPT-UHFFFAOYSA-N 394.656 4.146 0 1 GIAF Clc1ncc(Br)c2[nH]c(-c3ccc(Br)o3)nc12 587008193 QQUZBCCZOWVGRN-UHFFFAOYSA-N 377.423 4.396 0 1 GIAF Brc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2n1 587016093 PIEUSMOAYBLGAH-UHFFFAOYSA-N 399.273 4.446 0 1 GIAF Fc1cccc(C2(F)CC(c3nc4ccc(CN5CCOCC5)cc4[nH]3)C2)c1 587131588 PALSZGREZOPTSW-UHFFFAOYSA-N 383.442 4.277 0 1 GIAF CC(C)(C)Oc1cc(-c2nc3cc(Br)ncc3[nH]2)c(N)cc1F 587136823 WHVJUFMCOQUKQM-UHFFFAOYSA-N 379.233 4.286 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(OC(F)F)c(OC)c1)[C@@H](C2)C3=O 587424490 ZDYYUUJULSPIGN-GTNSWQLSSA-N 396.773 4.447 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(F)c(F)c1)CC2=O 587465762 HJFUOHLBOMRTJH-NRFANRHFSA-N 390.382 4.348 0 1 GIAF CC(C)n1ncc2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582044 NHWSIPOCIWTIAR-OFNKIYASSA-N 390.439 4.363 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)Nc1ccccc1 587660464 GBECQNAGZUSECN-UHFFFAOYSA-N 375.428 4.448 0 1 GIAF CCOC(=O)C[C@@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799229 RHCVECBAOLKDJN-ZMZPIMSZSA-N 384.289 4.071 0 1 GIAF COc1cccc(OC)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809290 SJHRGRAUXYAJEK-JEOXALJRSA-N 394.284 4.403 0 1 GIAF COc1ccc2c(c1)C[C@@]1(C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587811614 WQKFBUNCNMHOQS-NSPYISDASA-N 376.269 4.125 0 1 GIAF Cc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCO2 587837077 ZFFIEGAQOSTHRK-MGNBDDOMSA-N 378.241 4.249 0 1 GIAF CCS(=O)(=O)c1cccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)c1 962993569 JTJNNEKXTUACKN-OAQYLSRUSA-N 398.553 4.084 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1c[nH]nc1-c1cc2ccccc2o1 963637596 SWMBKLXKEVEQOJ-ZLOXQWCVSA-N 389.455 4.464 0 1 GIAF C[C@@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1 5135463 PYTFYZUUDYGSOF-SJLPKXTDSA-N 399.560 4.086 0 3 GIAF CC(=O)c1ccc(OCc2cc(C(=O)N3C[C@H]4C[C@H]5C[C@H]3C[C@H](C5)C4)no2)cc1 263591747 DOFNVVXTRBWLGJ-SXOLKLDHSA-N 394.471 4.107 0 3 GIAF O=C(O)/C=C/c1cnc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)nc1 72113461 PHUUVKXQROLSOR-DAFODLJHSA-N 376.456 4.415 0 1 GIAF COC(=O)[C@@]1(Cc2cccc(C(F)(F)F)c2)CC(=O)O[C@H]1c1ccccc1 73158049 AUKKAGUDOGNTCE-HKUYNNGSSA-N 378.346 4.096 0 1 GIAF CN(c1ccccc1)c1nnc([C@@H](O)c2c(F)c(F)c(F)c(F)c2F)s1 82078627 WGSUITZQYUFDOS-AWEZNQCLSA-N 387.333 4.083 0 1 GIAF COc1cc(-c2nc3cc(-c4cnc(N)nc4)ccc3n2C(C)(C)C)c(F)cn1 169259281 NVCYXCSOEGBRNC-UHFFFAOYSA-N 392.438 4.040 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@@H]4[C@@H]3CC[C@@H]12 169322656 RIGMJQYSJWLGJZ-OTTOILDPSA-N 386.580 4.157 0 1 GIAF CC(=O)Nc1cnc(Nc2ccccc2Cl)nc1Nc1cc(C2CC2)[nH]n1 203004862 GKSSGNSRJUQDMT-UHFFFAOYSA-N 383.843 4.176 0 1 GIAF COc1cccc2c(C(=O)N3CCN(C)C(C)(C)C3)cn(CC3CCCCC3)c12 204945636 PRIXWUKWUTUQOM-UHFFFAOYSA-N 397.563 4.396 0 1 GIAF CC[C@@H](C)Cn1c(-c2c(F)cc(F)cc2F)c(Cl)nc(-n2cccn2)c1=O 207812085 GHHITMFEHPWKKF-SNVBAGLBSA-N 396.800 4.213 0 1 GIAF Cc1noc(CCC[C@@H]2CC(=O)c3cc(Cl)cc(Br)c3O2)n1 299840315 UYHJCXXUKFYFQM-SNVBAGLBSA-N 385.645 4.151 0 1 GIAF O=S(=O)(Cc1ccccc1-c1nc2cc(F)cc(F)c2[nH]1)c1ccccc1 586921527 JUTWADCYTUIWEB-UHFFFAOYSA-N 384.407 4.482 0 1 GIAF CCOc1n[nH]c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1Br 586979910 YCQJQWVUNCRDIG-UHFFFAOYSA-N 375.148 4.133 0 1 GIAF Cc1ccc2c(ccc3nc([C@@H](N)Cc4cccc(Br)c4)[nH]c32)n1 586983327 AZAGUBHKVXCTAX-HNNXBMFYSA-N 381.277 4.425 0 1 GIAF FC(F)(F)Oc1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005371 GCDZSBQZSSVGIV-UHFFFAOYSA-N 393.550 4.334 0 1 GIAF Cc1nc2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2cc1Br 587092725 ZPACMFDSWHJMAK-UHFFFAOYSA-N 387.159 4.032 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 587234238 YHKDCCWAISJMHM-GXSJLCMTSA-N 396.285 4.192 0 1 GIAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587240373 CVKCAABXCFDOJA-UHFFFAOYSA-N 396.458 4.148 0 1 GIAF O=C(O)[C@@H]1CCC[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355493 VDJVTHKKNOFMMT-LNHNDHHWSA-N 384.403 4.294 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3ccc(Br)cc31)O2 587370580 GMYHLVNTSUEKHS-LJQANCHMSA-N 388.261 4.373 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccccc2N[C@@H]1c1ccccc1 587402170 VNXJBUJMAPKMMY-ISKFKSNPSA-N 384.435 4.331 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(Br)ccc(OC)c1F)[C@@H](C2)C3=O 587427821 VYUSXIQUDRXDEI-YPMLDQLKSA-N 393.208 4.094 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C)[C@@H](C2)C3=O 587437133 DIMRWQSSFPQPLI-NPMXOYFQSA-N 397.471 4.258 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(OCC)c(OC)c1)CC2=O 587483155 VNIDENNBZIRNOE-GOSISDBHSA-N 386.444 4.467 0 1 GIAF C[C@@]1(c2ncc(F)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566808 AQNDBHVADVCBNZ-OXQOHEQNSA-N 385.778 4.457 0 1 GIAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(F)c1O 587722574 SSNLWIBALJASNW-VPTHRUTESA-N 384.220 4.065 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccn2-c2ccccc2)N1 587758483 XTEOZHANSLCOJV-KPZWWZAWSA-N 386.268 4.398 0 1 GIAF COc1cc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587768070 CKHAGAOHZHVELY-XTZNXHDOSA-N 379.273 4.232 0 1 GIAF COc1ccc(-c2nnc(-c3ccc4nc(CCOCC5CC5)[nH]c4c3)o2)cc1 587783319 NWRMZNOIUCONHD-UHFFFAOYSA-N 390.443 4.258 0 1 GIAF CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587801315 JTUWSJFOXMAGSZ-XTZNXHDOSA-N 380.257 4.316 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587819583 BFTCQPQQBTXCEJ-XLVSEUFYSA-N 382.317 4.135 0 1 GIAF N[C@H]1CCCN(c2cncc(-c3ccc4[nH]cc(-c5ccccc5F)c4c3)n2)C1 1857750942 BGKFEQIYJGJHTL-INIZCTEOSA-N 387.462 4.359 0 1 GIAF CCc1ccc([C@H]2C[C@H](c3ccc(OC)c(OC)c3OC)n3ncnc3N2)cc1 2915276 DGPGFLRIXBIHMU-QZTJIDSGSA-N 394.475 4.013 0 1 GIAF O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4049559 VOZMMXSTHCZNBV-FYYLOGMGSA-N 388.442 4.276 0 1 GIAF CCc1cc(C(=O)Cc2nc3ccccc3n2C)c(O)cc1OC(=O)C(C)(C)C 4531321 DTJYNUIEQQZDAK-UHFFFAOYSA-N 394.471 4.218 0 1 GIAF biogenic COc1ccc2nc(NC(=O)CCc3nc(-c4ccc(C)cc4)no3)sc2c1 4920687 QEKWKVBOMHAGFV-UHFFFAOYSA-N 394.456 4.235 0 1 GIAF COc1ccc(CCN[C@]2(Cc3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1OC 13590281 GOTLBDMBTPMJPE-RLSLOFABSA-N 396.575 4.178 0 1 GIAF CCN(CCNC(=O)Nc1ccccc1Br)c1cccc(F)c1 14973948 PXADWBWJWPCPCZ-UHFFFAOYSA-N 380.261 4.236 0 1 GIAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CN1CCN(Cc3ccccc3)CC1)O2 22441889 VGJFUTQJGZKKBU-VWLOTQADSA-N 394.559 4.219 0 1 GIAF O=C1Nc2ccccc2C(c2ccccc2F)=N[C@H]1NCc1cc2ccccc2[nH]1 26377013 PXZGQUZGZQPEDJ-HSZRJFAPSA-N 398.441 4.212 0 1 GIAF CCOc1cc2c(cc1O)[C@@H](NC(C)=O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 26491094 YRMUBJUOYFERGW-RYZDKETASA-N 387.520 4.033 0 1 GIAF CCOC(=O)[C@H]1CCCN(C(=O)c2cc3cc4ccc(C)cc4nc3s2)C1 34858270 CZPIEFCGFFJXAA-HNNXBMFYSA-N 382.485 4.173 0 1 GIAF O=C(c1cccs1)[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 71340374 MAWNHFCDCYPWDV-FQEVSTJZSA-N 383.856 4.019 0 1 GIAF CCCC[C@H](CC)CNc1nc(NC[C@@H](C)O)c2cc(OC)c(OC)cc2n1 82129377 XXIVLPLOWPFXAC-CABCVRRESA-N 390.528 4.068 0 1 GIAF CC(C)Cc1nc2c(NCc3cccc(Cl)c3)ncnc2n1C[C@@H]1CCCO1 82221806 OCMAGKQUYPWVEE-KRWDZBQOSA-N 399.926 4.469 0 1 GIAF Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12 118737230 FRGARKJLNFHDAI-UHFFFAOYSA-N 397.378 4.267 0 1 GIAF Cc1ncsc1CCOc1cccc(/C=C2\SC(=O)NC2=O)c1Cl 144408905 CDMKWQFMSBAIPE-QPEQYQDCSA-N 380.878 4.050 0 1 GIAF CCO/C(O)=C(/c1nc2ccccc2[nH]1)n1c(-c2cnccn2)nc2ccccc21 169304412 CUGNUXRMXRKNSX-QOCHGBHMSA-N 398.426 4.139 0 1 GIAF CO[C@H](C)C(=O)N(c1ccccc1)[C@@H]1CCN(CCc2cccs2)C[C@H]1C 299804857 LZKVXBQOOPUNCP-DBXWQHBBSA-N 386.561 4.069 0 1 GIAF O=C1Nc2ccc(Cl)cc2[C@@]12CCNc1c2cnn1Cc1ccc(Cl)cc1 299856373 BQRJJVQLEUNMNS-HXUWFJFHSA-N 399.281 4.292 0 1 GIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 586949020 XHSUZJYEBGMWFB-UHFFFAOYSA-N 399.394 4.279 0 1 GIAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Cl)cccc2[nH]1 586999494 CSGNYRKPPOTUTR-UHFFFAOYSA-N 391.608 4.458 0 1 GIAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(O)nc(S)nc2[nH]1 587012083 NLMTWXOKDROLMQ-UHFFFAOYSA-N 375.866 4.100 0 1 GIAF Fc1cc(Br)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587042659 VIZSHOSOUCRUOG-LSDHHAIUSA-N 392.297 4.411 0 1 GIAF Clc1ccc(CC2(c3nc4ccc(CN5CCOCC5)cc4[nH]3)CC2)cc1 587074309 RTSRIDDTHMQCCH-UHFFFAOYSA-N 381.907 4.323 0 1 GIAF COc1cc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cn1 587127968 CTKOKKNKTFBUOP-YFKPBYRVSA-N 377.729 4.301 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)C(F)(F)C1 587133106 XJRUYFXSWLVKNW-ZETCQYMHSA-N 393.768 4.464 0 1 GIAF O=C(/C=C/c1nc2c(Br)cnc(Cl)c2[nH]1)Nc1ccc(F)cc1 587166454 CVYCSZYCECXMLK-AATRIKPKSA-N 395.619 4.165 0 1 GIAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587167961 BGRLKIFNMGTRNP-MRVPVSSYSA-N 379.185 4.303 0 1 GIAF CC[C@H](c1nc2cc(C)cc(C)c2[nH]1)n1cc(I)c(C)n1 587184126 FBTORAXVCRBYFK-CQSZACIVSA-N 394.260 4.289 0 1 GIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(F)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587240246 ROLNVBRCZUHLEX-PKQAIAMASA-N 389.471 4.257 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccc(Cl)c(Cl)c3)nn1)O2 587377856 ZPZOYECXTHOFGO-KRWDZBQOSA-N 389.242 4.171 0 1 GIAF COc1cc2c3c(c1)O[C@@]1([C@H]4C[C@H]5C[C@@H]1C[C@@](Br)(C5)C4)[C@@H](C2)C3=O 587412522 IQWJPMJKBLTXHA-NPTQTRHGSA-N 389.289 4.155 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(Br)ccc4[nH]1)[C@@H](C2)C3=O 587416447 BEIAYQRPGLWDIZ-ORAYPTAESA-N 384.229 4.428 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@H](C)C(=O)OC)CC2=O 587483040 UESWHCDMYVPBBL-QKFKETGDSA-N 398.455 4.023 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C[C@@H]2N=O 587744014 YOBUKTYXOJLIOH-LOTHZSBOSA-N 375.241 4.057 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)c3ccccc23)N1 587775684 TYQSXZOFUJAPML-YPMLDQLKSA-N 387.252 4.466 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc[nH]c32)N1 587801207 DRCYUKGJHBZSLE-MGNBDDOMSA-N 378.289 4.062 0 1 GIAF CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CO 587801322 JXIZDOSCNRYVAV-NSPYISDASA-N 394.284 4.103 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(/C=C/C(=O)O)cc2)N1 587825255 CBOZVKYSGXHPHD-NAABHDJKSA-N 390.252 4.310 0 1 GIAF Cc1ccc(C(=O)O)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587827046 MYZUDVKYJLQNGZ-WLRWDXFRSA-N 392.268 4.393 0 1 GIAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1ccc(C(F)F)cc1 963195739 WFPITAUTHMBPDK-HXUWFJFHSA-N 389.442 4.382 0 1 GIAF COc1ccc(Cn2cccc2[C@@H]2NCCc3c(OC)ccc(Cl)c32)cc1 963260520 XOZNRRMBBDKZJJ-QFIPXVFZSA-N 382.891 4.442 0 1 GIAF Clc1ccc2c(N3CCN(Cc4noc(C5CCCC5)n4)CC3)ccnc2c1 1857564122 NFMFXZWICDJRJN-UHFFFAOYSA-N 397.910 4.251 0 1 GIAF COC(=O)CCCCCCC[C@H](O)[C@@H](CCCCCCCC(=O)OC)OC 2356499367 BJCDRXBSMHOVFY-RBUKOAKNSA-N 388.545 4.170 0 1 GIAF CCC[C@@H](OC(=O)c1ccc(O)cc1)[C@H](CC)COC(=O)c1ccc(O)cc1 2356807707 YAUDIDRFMBKVPS-FOIQADDNSA-N 386.444 4.307 0 1 GIAF O=C(NCc1ccc(F)cc1Cl)[C@H]1CC(=O)N(C2CCCCCCC2)C1 2941090 ABUUJUHVCALKDU-HNNXBMFYSA-N 380.891 4.057 0 3 GIAF CCC[C@@H](CNC)NC[C@H](Cc1ccccc1)NCCCCc1ccccc1 22938891 UEOAPMLSZIWDGW-DQEYMECFSA-N 381.608 4.188 0 3 GIAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 4126211 DWBULRIHHPDXHE-ITEAAPOESA-N 389.499 4.004 0 1 GIAF O=C([C@@H]1C2CCC(CC2)N1C(=O)CC/C=C/C(C1CC1)C1CC1)N1CCCC1 13756436 NTBTYEYDXYLQJC-MOHBSJGBSA-N 384.564 4.151 0 1 GIAF CCN1CCc2cc(Br)cc(OC)c2[C@H]1Cc1ccccc1O 13805159 FIENLMYHKXXOLG-MRXNPFEDSA-N 376.294 4.325 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 14904351 GNWBLLYJQXKPIP-CIYJYBIBSA-N 388.596 4.334 0 1 GIAF N[C@@H]1CN(c2nccc(-c3ccccc3)n2)C[C@@H]1c1ccc(Cl)cc1Cl 28899524 ANEZVMLVQSLOFS-SJLPKXTDSA-N 385.298 4.382 0 1 GIAF CC(=O)[C@H]1[C@H](CC(=O)O)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 39014739 XXEKZFNZDZVZOJ-SVPILENZSA-N 376.537 4.296 0 1 GIAF CC(=O)N[C@@H]1CCN(Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C1 40934331 BPSNKHBRCPDEOJ-GOSISDBHSA-N 393.314 4.283 0 1 GIAF CCCCCCOc1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1 43123392 ILRPXOVXKMQNNC-UHFFFAOYSA-N 394.943 4.036 0 1 GIAF O=C(O)CC[C@@]1(c2cccnc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 49013843 BTNSKYZYJVZFJC-FQEVSTJZSA-N 387.867 4.166 0 1 GIAF O=C(NCCC1=CCCCC1)[C@@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085175 RAPFPIHAYWQHKR-KRWDZBQOSA-N 399.516 4.014 0 1 GIAF CCCCCNc1ncnc2c1nc(-c1ccc(C)o1)n2CCN1CCCCC1 82186563 AJMPWRXLYHYQRC-UHFFFAOYSA-N 396.539 4.483 0 1 GIAF COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3C(C)(C)C)ccc1-n1cnc(C)c1 95578604 NZIUOHIPZKVYDE-LAINMTBBSA-N 394.519 4.427 0 1 GIAF Cc1cnc(NC(=O)[C@@H]2C(=O)N3c4ccc(F)cc4Cc4cc(F)cc2c43)s1 100658454 SHHHLOJKQBMKAQ-MRXNPFEDSA-N 397.406 4.035 0 1 GIAF CCCCCSC1=N[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N1 101619465 BSMCDKVRZRAUEZ-GOSISDBHSA-N 376.522 4.456 0 1 GIAF Cc1c(CC(=O)O)cnn1Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 168908765 BTCQMHUXQZGGHI-UHFFFAOYSA-N 399.450 4.272 0 1 GIAF O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(OC(F)F)cc3)nc12 391896201 BUNYHLKXZBERPI-UHFFFAOYSA-N 383.148 4.292 0 1 GIAF C[C@H](Sc1nnc(-c2ccncc2)s1)C(=O)NCc1ccc(Cl)cc1 473100611 IKCSOVMQNVOWDM-NSHDSACASA-N 390.921 4.051 0 1 GIAF O=[S@](CCCc1nc2c(Cl)ccnc2[nH]1)c1ccc(Br)cc1 586959581 KJCSTISHTMQHOO-JOCHJYFZSA-N 398.713 4.114 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587160503 CVQPWLMPKNYSEG-RYUDHWBXSA-N 375.197 4.434 0 1 GIAF COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(F)F 587383831 WMBCQJGGTSCOBH-FQEVSTJZSA-N 377.387 4.110 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(Br)cc(F)c31)O2 587385836 GMHRUEWUQCWWLR-GOSISDBHSA-N 376.225 4.286 0 1 GIAF COc1ccccc1OCc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)o1 587412089 LWJFSBJEOOEJHV-NRFANRHFSA-N 379.412 4.464 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1c(N)sc3c1CCC3)O2 587415462 SVIKHLHOLQEIME-JOCHJYFZSA-N 391.496 4.014 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccoc1Br 587543206 JYRQYMLGNFZGRQ-PBHICJAKSA-N 387.185 4.451 0 1 GIAF CNc1cc(Cl)ncc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551773 JLHAFMFCUWKTTL-XLIONFOSSA-N 382.803 4.185 0 1 GIAF CC(=O)Nc1ccsc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614388 SEIPDRIAAPRUNN-LPHOPBHVSA-N 381.409 4.115 0 1 GIAF CCCn1nc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587757562 ORIUMBBCIPJIJJ-YPMLDQLKSA-N 380.305 4.435 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CN(C(=O)OC(C)(C)C)C2)N1 587762983 WAKRYOIBHYPZNQ-QLJPJBMISA-N 399.304 4.030 0 1 GIAF Cc1ccc2nc(C)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 587771031 BDOPAUINUSJXDX-VOJFVSQTSA-N 388.284 4.476 0 1 GIAF CC(C)Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587774764 XPLXPHMEIXCWRQ-ZMZPIMSZSA-N 379.273 4.394 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@H]2CCCCC23OCCO3)N1 587840492 YCIVHFOODKLKOI-XNRPHZJLSA-N 398.316 4.487 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCCC3)s2)N1 587852122 DHUTYLPASKNCNA-QLJPJBMISA-N 396.329 4.269 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)cc(C)c1 587867914 QPSKTLXPTKXJKT-UHFFFAOYSA-N 375.350 4.278 0 1 GIAF Cc1ccc(C[C@]2(C3CC3)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962967677 BTRZFMDRGMIXRZ-LAUBAEHRSA-N 391.845 4.374 0 1 GIAF CC[C@@H](NC(=O)c1cc(O)nc2cccnc12)c1ccc(OC(F)(F)F)cc1 1772628016 YLIWHCJGURTYBQ-CQSZACIVSA-N 391.349 4.115 0 1 GIAF CSc1ccc(C[C@@]2(O)c3cc(Cl)c(Cl)cc3C3=NCCN32)cc1 1857540481 VFSBAFYNYUXLBD-GOSISDBHSA-N 379.312 4.179 0 1 GIAF O=C(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)c1ccccc1F 1857575960 KBNVZQJCKYJWIR-UHFFFAOYSA-N 384.414 4.456 0 1 GIAF Cn1cc(-c2ccc(Cn3cc(C(=O)N4CCCCC4)c4ncccc43)cc2)cn1 1857642412 RPOAUCNZCWXPCT-UHFFFAOYSA-N 399.498 4.111 0 1 GIAF CC(=O)O[C@@H]1C[C@](C)(O)[C@H](CCC(C)=CC(=O)O)[C@@]2(C)CCCC(C)(C)[C@H]12 2356536925 DWCQGHONFHUARJ-MEESNCPOSA-N 380.525 4.333 0 1 GIAF COc1ccc(NC(=O)[C@]2(C)CCN2Cc2ccc(OC(C)C)cc2)cc1OC 61904424 ZWZOUTLCBNZYFJ-QHCPKHFHSA-N 398.503 4.094 0 3 GIAF O=C(NCCc1ccccc1)[C@@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61929509 DJXAXZONGMZUIO-FQEVSTJZSA-N 378.859 4.064 0 3 GIAF CCCn1c(-c2ccc(F)cc2)nc2c(NC[C@H]3CCCN3CC)nc(C)nc21 7991770 ZJLPRKGWZJQXLU-GOSISDBHSA-N 396.514 4.247 0 1 GIAF CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)CCC(C)C)c1ccccc1 26722134 OTVVSCRMDPLCBE-IBGZPJMESA-N 388.533 4.356 0 1 GIAF Cc1cc(S(=O)(=O)N[C@H](C)Cc2c[nH]c3ccccc23)c(C)cc1Cl 28820592 WLGLOAUQFHGIQN-CQSZACIVSA-N 376.909 4.348 0 1 GIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H](CC/C(C)=C/C(=O)O)[C@](C)(O)CC[C@H]21 45497786 ISGZIAHLYCQZFM-DJKOWVEXSA-N 380.525 4.334 0 1 GIAF O=C(Oc1cccc(Cl)c1)N1CCN(c2ncccc2C(F)(F)F)CC1 49792493 VANQOAFYCGMJFN-UHFFFAOYSA-N 385.773 4.075 0 1 GIAF CC[C@@H](C)CCCc1c(O)ccc2c1O[C@]1(C2=O)C(Cl)=C(Cl)C(=O)N1C 68199233 WMKWPEBMZCUXQG-DGIBIBHMSA-N 398.286 4.194 0 1 GIAF biogenic CCC(CC)CNc1c2n(c(=O)n(C(C)C)c1=O)C[C@H](CC1CCCCC1)N2 82208325 GRRSTAVCBTYKPI-SFHVURJKSA-N 390.572 4.204 0 1 GIAF CN(C)C(=O)c1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1 84616535 DBXKNLONIACQRU-UHFFFAOYSA-N 390.552 4.372 0 1 GIAF CC[C@@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1C(C)C 88345919 BAYKVNCPHPGUFB-OAHLLOKOSA-N 376.464 4.120 0 1 GIAF c1ccc(Cn2ccnc2C2(c3ccccc3)CCN(c3ncccn3)CC2)cc1 96310709 XYHHNNJTSPIWFA-UHFFFAOYSA-N 395.510 4.308 0 1 GIAF COc1cccc(OC)c1[C@H]1COC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258925 PRPRCLHZDNHNJP-CQSZACIVSA-N 397.349 4.296 0 1 GIAF Cc1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C3CC3)no2)c1C1CC1 147032514 MSBHNVBZWYOJLI-UHFFFAOYSA-N 399.472 4.365 0 1 GIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)[C@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C 169724664 DEAVUWHJOWDMKM-RYFPXBIESA-N 384.564 4.030 0 1 GIAF Nc1ccccc1NC(=O)c1ccc(CNc2nc(-c3ccccc3)c(O)[nH]2)cc1 169730186 VUEHBORHPDDWAA-UHFFFAOYSA-N 399.454 4.229 0 1 GIAF CN(C(=O)c1ccccc1)c1ccccc1C(O)(C(F)(F)F)C(F)(F)F 299827684 GZCLUBJHKDKLJA-UHFFFAOYSA-N 377.284 4.275 0 1 GIAF O=c1oc2ccc(Cl)cc2c(=O)n1-c1ccc(C(F)(F)F)cc1Cl 473094003 UUBDDXVIBHRKGI-UHFFFAOYSA-N 376.117 4.270 0 1 GIAF O=C1c2ccccc2-c2cc(-c3ccc4nc(O)[nH]c4c3)nc3ccc(O)c1c23 586990107 VFRCQHRJXWEHHG-UHFFFAOYSA-N 379.375 4.401 0 1 GIAF CCOC(=O)/C(=C\N(C)C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586996548 OHSPESSSZGTMOW-UYRXBGFRSA-N 386.451 4.220 0 1 GIAF COc1cccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c12 587019853 XSCCIBVNFNPJNM-UHFFFAOYSA-N 379.445 4.263 0 1 GIAF Oc1ncnc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587057885 WIIOTECLVJGVQY-UHFFFAOYSA-N 377.187 4.204 0 1 GIAF FC(F)c1c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cnc2ncnn12 587128925 UCVVGAPGYNSPSY-UHFFFAOYSA-N 378.342 4.398 0 1 GIAF Nc1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)ccc1F 587139245 DPXKRNXSRNUFTL-UHFFFAOYSA-N 385.034 4.476 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cc(Br)c(F)c1F)O2 587381669 LBFCHBCHNOMCER-LBPRGKRZSA-N 386.167 4.464 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCCc4[nH]c5ccc(OC)cc5c41)[C@@H](C2)C3=O 587438143 MQTULCOLTWADLA-QMHKHESXSA-N 375.424 4.164 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]([C@H](F)C(=O)OCC)C1)CC2=O 587464905 YXXLMCDMPXOMFN-MPKWNAGQSA-N 378.440 4.140 0 1 GIAF Cc1nn(CC(=O)OC(C)C)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516489 UICRMXBGFJCNAB-HXUWFJFHSA-N 396.487 4.037 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2nnco2)cc1 587589261 WVHLDLWIRGOZQY-RXVVDRJESA-N 386.363 4.145 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)o1 587594215 MBELXCNDLZDFKL-SIKLNZKXSA-N 377.396 4.288 0 1 GIAF C[C@@]1(COc2cccc(C=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596284 QNOADZUXOBHHJW-REWPJTCUSA-N 390.391 4.004 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nn(C)c3ccccc23)N1 587766773 XBZBNYILRFRUPG-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF Cc1ccn2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)nc2c1 587776033 VSYXQWZDMCRHCG-ADLMAVQZSA-N 388.284 4.476 0 1 GIAF COc1ccc(C2(c3nc4ccc(S(C)(=O)=O)cc4[nH]3)CC3(CCC3)C2)cc1 587934863 HFUOIMGLEGVUEJ-UHFFFAOYSA-N 396.512 4.225 0 1 GIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Cl)c(Cl)nc4[nH]1)(C3)C2 587950988 POZBXQZQQRWNSM-IMWAJYHESA-N 380.275 4.418 0 1 GIAF O=S(=O)(O)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955534 MMZYIBQCKZSKKK-SFHVURJKSA-N 378.453 4.184 0 1 GIAF CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)/C=C/c1cccc(F)c1 653822635 IQSUFSOJWWKKGN-IEJURRBGSA-N 394.398 4.271 0 1 GIAF COc1ccc([C@@H]2[C@H]3C=CC=C[C@@H]3C(=O)N2c2ccc3nc[nH]c3c2)cc1OC 1772605820 AHLRAQVRFHDKHB-PNLZDCPESA-N 387.439 4.026 0 1 GIAF COc1c(OCc2cnoc2C)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772644341 LQYFDOQVWODHBM-UHFFFAOYSA-N 379.368 4.050 0 1 GIAF O=C(Cn1cc(Cl)c2ncc(-c3ccc(F)c(F)c3)cc21)N1CC(F)(F)C1 1857758834 YECWBUNINJUDHV-UHFFFAOYSA-N 397.759 4.112 0 1 GIAF CN[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@@H](C)N(C)C)[C@@H]3CC[C@H]2[C@@H]1O 2356511288 FLAMWHBGWKTYPW-BZPGIQLFSA-N 376.629 4.154 0 1 GIAF COC(=O)c1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CN(C)C)C=C3C)[nH]c2c1 2356747036 KKPWGDIESLLPLN-IPMKNSEASA-N 383.536 4.308 0 1 GIAF OCC1(Cc2cccc(F)c2)CCN(Cc2ccc3cccc(F)c3n2)CC1 12193083 FRDXRGJQBAOXSQ-UHFFFAOYSA-N 382.454 4.330 0 3 GIAF CCc1nc2c(OCC(=O)C(C)(C)C)cccn2c1N(C)C(=O)c1cccs1 61908412 NMVRDGATGWZKDS-UHFFFAOYSA-N 399.516 4.229 0 3 GIAF Cc1ccc(C(=O)N[C@H]2CCCCN(Cc3ccc(Cl)cc3)C2=O)c(C)c1 199716232 GVJXSWZXZILXFK-FQEVSTJZSA-N 384.907 4.268 0 3 GIAF CC1(C)CC(=O)CC2=C1OC1=C(CC(=O)CC1(C)C)C21C(=O)Nc2ccccc21 2477574 WROHUXZKQFZTAA-UHFFFAOYSA-N 391.467 4.193 0 1 GIAF Cc1c(C(=O)NCc2ccco2)sc2ncnc(N(C)c3ccccc3)c12 2926873 SRRKXOXUMNPSEO-UHFFFAOYSA-N 378.457 4.291 0 1 GIAF O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)[C@@H]2CCCO2)cc1 4875501 YTTYLZDVQFSGHO-INIZCTEOSA-N 378.350 4.075 0 1 GIAF COC(=O)c1ccc(Cl)c(NC(=O)c2cnc3c(n2)C(C)(C)CC3(C)C)c1 26827320 CUBQYMMSOMSUSQ-UHFFFAOYSA-N 387.867 4.128 0 1 GIAF N[C@@H]1CN(c2nccc(-c3ccccc3)n2)C[C@H]1c1ccc(Cl)cc1Cl 36310953 ANEZVMLVQSLOFS-FUHWJXTLSA-N 385.298 4.382 0 1 GIAF O=C1O[C@H](O)C(c2cccc(-c3ccc4ccccc4c3)c2)=C1Br 40950421 MIGBIBPFXLKKON-IBGZPJMESA-N 381.225 4.488 0 1 GIAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N[C@@H](CO)C(=O)O)C(C)(C)CCC1 40972968 LMAARKZBQFFVIV-OFRYMSBASA-N 387.520 4.080 0 1 GIAF CSc1c(CNCCCNc2cc(=O)c3ccccc3[nH]2)[nH]c2ccccc12 45191422 ABUKCHKDWKKBNM-UHFFFAOYSA-N 392.528 4.323 0 1 GIAF CCC(CC)c1cc(C)n2nc(-c3cnc(OC(F)F)cc3C)n(C)c(=O)c12 73222018 GWBAFTMETZIBIN-UHFFFAOYSA-N 390.434 4.217 0 1 GIAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C1 82152082 FYQOKOBXTONQNU-GASCZTMLSA-N 382.483 4.223 0 1 GIAF CC(=O)Nc1ccc(Nc2ncccc2-c2nc(C)nc3[nH]cnc23)cc1Cl 113151030 OQBOZDWTURLXIA-UHFFFAOYSA-N 393.838 4.079 0 1 GIAF Cc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C)c1CC(=O)O 141202929 VTETYFMZEANUAO-UHFFFAOYSA-N 397.862 4.081 0 1 GIAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1OCC1CCCC1 143183312 IKWWVCWYCSDROX-UHFFFAOYSA-N 380.366 4.215 0 1 GIAF CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](C1(O)CCCC1)C=C/C=C/3CO 169296515 VMCWPULFQCTDQB-ARODOHCNSA-N 394.511 4.010 0 1 GIAF C[C@H]1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1)OCO3 206545152 LLKPHLHJWLBDOL-KRWDZBQOSA-N 392.499 4.234 0 1 GIAF C[C@H]1Cn2c(nnc2C2CCC2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl 219193846 VZJNZYSWHOMIAD-JTQLQIEISA-N 398.816 4.262 0 1 GIAF CC(=O)N(Cc1ccccc1)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 261186685 XQDSNDVAQICDHA-JMUQELJHSA-N 386.486 4.442 0 1 GIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc2c(cc1C3)OCO2 586991406 NMUXMDBOBCJPKV-UHFFFAOYSA-N 379.371 4.452 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(C(F)(F)F)ccc3C(=O)O)nc2c1 587109502 WKMLTCUULDMSFS-UHFFFAOYSA-N 398.724 4.387 0 1 GIAF Cc1cc(-c2nc3c(C)ccc(C)c3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587126224 WGZMBXCEQRQIJR-UHFFFAOYSA-N 383.395 4.417 0 1 GIAF O=C(COc1ccccc1-c1nc2cc(Cl)cnc2[nH]1)Nc1ccccc1F 587153921 FDBLPKLMGQHQKI-UHFFFAOYSA-N 396.809 4.435 0 1 GIAF CN(C)c1ncccc1-c1nc2c(Br)ccc(Br)c2[nH]1 587195205 DPSYDCQWLZSQJM-UHFFFAOYSA-N 396.086 4.216 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)Oc3c(Cl)cc(Cl)cc31)O2 587379047 FXDGUWLXIBCPIA-SFHVURJKSA-N 378.211 4.054 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(F)cc(Br)cc31)O2 587387986 YDNXMHJCXRWFGC-GOSISDBHSA-N 376.225 4.286 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(O)c(Br)c1)[C@@H](C2)C3=O 587412633 JLRSYIVEQLSHCB-DYZYQPBXSA-N 395.636 4.305 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)c4cccnc14)[C@@H](C2)C3=O 587419099 WVDXJBMWELXBQO-VBKZILBWSA-N 396.240 4.495 0 1 GIAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC(F)F 587424470 YZDUQRIGJFXFOT-YJYMSZOUSA-N 376.355 4.184 0 1 GIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(C14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O 587430215 SJCAEGCPZSYGRK-SAFBOKJOSA-N 393.527 4.473 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cc1ccccc1)C(=O)OCC)CC2=O 587480534 KYVGGCNPGPVUOZ-YADARESESA-N 396.483 4.491 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@H](C)C1 587595198 JWBJWVWZLOOWHC-CPMLIZHXSA-N 396.439 4.092 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)cc2F)N1 587724690 LGUYLIVGZKBQIV-VPTHRUTESA-N 382.204 4.049 0 1 GIAF Cc1ccn2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)nc2c1 587775890 URZGEMFPBAFXDA-BBATYDOGSA-N 388.284 4.476 0 1 GIAF COc1ccc(COC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587799137 AJBSQNALZQDOKZ-CWTRNNRKSA-N 394.284 4.389 0 1 GIAF CCC(=O)OC1=C(C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587813612 WAWYYRZTPXEGEG-ADLMAVQZSA-N 382.273 4.339 0 1 GIAF Cc1nc2c(s1)[C@@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587857756 MYOYIPKVZKEEKG-XLFHBGCDSA-N 381.314 4.467 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1ccc(C)n1 587860585 YGNOKCYZHARWBK-UHFFFAOYSA-N 393.274 4.491 0 1 GIAF O=C(O)C1=CN(Cc2ccccc2)C=C(C(=O)O)C1c1cccc2ccccc12 1857553535 KFJKMBZMOWQHAK-UHFFFAOYSA-N 385.419 4.376 0 1 GIAF Cc1c(C(=O)NC2CC2)[nH]c(C(F)(F)F)c1Cc1ccc(C(F)(F)F)nc1 1911582917 LELKZFJKKDCCNX-UHFFFAOYSA-N 391.315 4.239 0 1 GIAF C[C@](O)(CCCCCCCCCc1ccc(O)cc1)C[C@@]1(C)OC(=O)C[C@@H]1O 2356570307 DIFCTNZAEJDHLR-ACIOBRDBSA-N 392.536 4.263 0 1 GIAF CC[C@@H](C)[C@H]1CN=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13662153 JPJRQHSTSXMSNH-QMTHXVAHSA-N 381.364 4.312 0 3 GIAF COc1cccc(NC(=O)[C@]2(C)CCN2C(=O)Cc2cccc3ccccc23)c1 61902329 ZCTKQOAUJBGFGN-DEOSSOPVSA-N 388.467 4.021 0 3 GIAF COC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@H]1c1ccc(Cl)cc1 95598741 KQZJVKCLCWATPN-SFHVURJKSA-N 386.904 4.218 0 3 GIAF COc1c2c(cc3c1[C@H](OC)[C@H](OC)[C@@H](c1ccc(O)cc1)O3)OC(C)(C)C=C2 14885816 KAMSUIMVPLJLGA-BAGYTPMASA-N 398.455 4.421 0 1 GIAF biogenic CSc1cccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)c1 21289890 MFWRRYPZURQIQM-UHFFFAOYSA-N 394.544 4.056 0 1 GIAF CCN1CCN(CC)[C@H](c2ccc(OC)cc2F)[C@@H]1c1ccc(OC)cc1F 26390096 YQGOJRSQPHZLKD-SZPZYZBQSA-N 390.474 4.422 0 1 GIAF O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)NCC1CCCCC1 27189437 FURCQFVZVJNZAB-BBITVKMKSA-N 389.495 4.291 0 1 GIAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]14[C@H]23 38307882 VZLZHRXSOUBJEF-FVYYKUSZSA-N 376.493 4.044 0 1 GIAF N=C(N)c1ccc(OCCCCCCCCOc2ccc(C(=N)N)cc2)cc1 38934391 BCLQWSHAVPTCAD-UHFFFAOYSA-N 382.508 4.053 0 1 GIAF CCOCCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40499088 ULAOQWBWDVCIMV-XIRDDKMYSA-N 376.518 4.465 0 1 GIAF CNC(=O)c1cc(Oc2ccc3c(c2)nc(NCC2CCCCC2)n3C)ccn1 40898364 AELMZARIIRBFQD-UHFFFAOYSA-N 393.491 4.112 0 1 GIAF CN1CCN(c2ccc3c(c2)[C@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1 61942330 CQQWIHMDQBNBBE-WMZHIEFXSA-N 391.515 4.009 0 1 GIAF Fc1cnc(N2CCC(N[C@@H](c3ccc(Cl)cc3)c3cccnc3)CC2)nc1 72103018 WSRCMDLYWFLWNE-FQEVSTJZSA-N 397.885 4.012 0 1 GIAF OCCCCNc1cncc(Oc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 82068620 GHWNTZUHCPKZLW-UHFFFAOYSA-N 395.303 4.491 0 1 GIAF COc1ccc2c(c1)[C@]1(COC(N)=N1)c1cc(-c3ccnc(Cl)c3)ccc1O2 95579625 VAZIEHLSWRALTQ-NRFANRHFSA-N 393.830 4.105 0 1 GIAF CC[C@H](COC)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 139250398 UOESUKBSGSBKBL-MRXNPFEDSA-N 392.459 4.167 0 1 GIAF O=C(N[C@@H](c1cccnc1)C(F)(F)F)c1ccc(C2CC2)c(OCC2CC2)n1 150196977 BCZCFVPVLYJKQO-KRWDZBQOSA-N 391.393 4.176 0 1 GIAF c1cncc(-c2ccc(CNc3nc(-n4ccnc4)nc4ccccc34)cc2)c1 169303209 BQDNQCLGJVOVGE-UHFFFAOYSA-N 378.439 4.490 0 1 GIAF Cc1cc(C)cc(N2CCN(CCNC(=O)c3ccc4ccccc4c3)CC2)c1 169335026 QKNWDTWOKKHEMV-UHFFFAOYSA-N 387.527 4.009 0 1 GIAF Cc1ccnc(Nc2cc([C@H]3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1 221708284 MVRFKJDYYPKRFL-IBGZPJMESA-N 387.487 4.252 0 1 GIAF COc1cc([C@H]2c3c(cc4c(c3OC)OCO4)C[C@@H](C)[C@@H]2C)cc2c1OCO2 238770825 NZWRYANDYKYMPU-SOZUMNATSA-N 384.428 4.121 0 1 GIAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccccc2OC)cc1 253695100 CXUONQXREPWOEC-HMGJQTAMSA-N 389.495 4.401 0 1 GIAF COc1ccc2cc1COCC=CCOCc1cccc(c1)-c1ccnc(n1)N2 254134740 NVVRIZGTMNCPSN-UHFFFAOYSA-N 389.455 4.499 0 1 GIAF CCCNc1nc(C)c(-c2nc3ccccc3s2)c(N[C@H]2CC[C@@H](CO)C2)n1 299867557 QHEQXKNUSGSEDG-CABCVRRESA-N 397.548 4.457 0 1 GIAF Cc1ccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)cc1 473106525 XMWGQJFOSNUREQ-CQSZACIVSA-N 382.851 4.040 0 1 GIAF COc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(C)C)cc3)nc2cc1Cl 586948187 KTQIVQYTCCNVJR-UHFFFAOYSA-N 379.869 4.042 0 1 GIAF Cc1ccc(C)c2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 587000703 SQFHJXFPWJOIMO-UHFFFAOYSA-N 385.217 4.421 0 1 GIAF Fc1cc(Br)cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587039151 CQTUCRFELGKCFU-CABCVRRESA-N 392.297 4.411 0 1 GIAF FC(Br)(Br)c1nc2cc(Cl)nc(Cl)c2[nH]1 587088382 MCOKHCFJUHBPDS-UHFFFAOYSA-N 377.826 4.134 0 1 GIAF NC(=O)c1cccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587110434 WTKKAUUSRHPXGE-UHFFFAOYSA-N 387.283 4.290 0 1 GIAF Cn1nnc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1C(F)F 587128062 FANXXQLFUCNVIA-UHFFFAOYSA-N 396.117 4.077 0 1 GIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccnc(Br)c2[nH]1 587201114 FZNLGBJKFLSEKA-UHFFFAOYSA-N 397.317 4.301 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)cnc2[nH]1)C(C)(C)C 587204097 IEVZXHINDYSYFA-LBPRGKRZSA-N 397.317 4.202 0 1 GIAF O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2O1 587354765 BDOFFVXKNOGHPV-FYYLOGMGSA-N 390.366 4.095 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccccc2)Oc2ccccc21 587412681 NXRKJDUZMTZNRF-QPPBQGQZSA-N 385.419 4.141 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(F)c1Br)[C@@H](C2)C3=O 587424943 YLTDEKUPTWWKTR-HUTHGQBESA-N 381.172 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@](C)([C@H](C)N1CCCc4cc(C)ccc41)[C@@H](C2)C3=O 587443210 LLYVNXAIKPOTOO-QJQUAVMFSA-N 377.484 4.351 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc2c1OCOC2 587567439 ANWXKLFIPQOYHW-PGRDOPGGSA-N 394.354 4.101 0 1 GIAF Cc1cc(F)cc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n[nH]c12 587569816 MDVZARSYDVQXQZ-VGSWGCGISA-N 390.370 4.419 0 1 GIAF Cn1ccnc1[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587577669 OIVFOEUXZKYSKC-NFHUAXAMSA-N 390.439 4.184 0 1 GIAF CCOC(=O)[C@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599361 XBCZPZWECMAETG-AUSIDOKSSA-N 396.439 4.236 0 1 GIAF CC(=O)Nc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587741759 IGGVLLGKPHDUTC-XTZNXHDOSA-N 377.257 4.170 0 1 GIAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587808861 QZKCYYDMBWKZHI-YPMLDQLKSA-N 380.257 4.229 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@@H](C3(C)C)[C@@]2(C)O)N1 587820350 BFTCQPQQBTXCEJ-JAQOTTQSSA-N 382.317 4.135 0 1 GIAF COc1cccc(C(=O)c2ccc(-c3nc4c(C(=O)O)cc(F)cc4[nH]3)cc2)c1 587931265 GKEUNNMNXUQMEW-UHFFFAOYSA-N 390.370 4.307 0 1 GIAF CC(=O)[C@H]1CCc2ccccc2[C@@]12c1cccc(Br)c1CCN2C 963289433 NACVHEQNUQEXQF-DYESRHJHSA-N 384.317 4.332 0 1 GIAF CCCCC(F)(F)[C@]1(CP(=O)(OC)OC)NCCc2ccc(O)cc21 963353857 UNWIVHQYSFEHED-MRXNPFEDSA-N 377.368 4.045 0 1 GIAF CC1CCC(NC(=O)C2CCN(C(=O)c3sccc3-n3cccc3)CC2)CC1 5135437 JCCQVWLMWOLPLD-UHFFFAOYSA-N 399.560 4.086 0 1 GIAF O=C(O)CCCCCCCn1nnc(C(c2ccccc2)c2ccccc2)n1 13727566 ULVTURXTAXXTBY-UHFFFAOYSA-N 378.476 4.279 0 1 GIAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@@H]1c1ccc(C)cc1)CCCC3 13837569 UHBYWTXOUSTTSQ-LJQANCHMSA-N 378.472 4.212 0 1 GIAF C/C(=C\Cc1cc(C(=O)O)ccc1O)CC/C=C(\C)CC[C@H](O)C(C)(C)O 14511586 YYGRLLZNBMWBAX-KEADJRCVSA-N 376.493 4.218 0 1 GIAF Cc1ncc2c(c1-c1noc(-c3ccsc3)n1)CCN(Cc1ccccn1)C2 23506532 VKXRXEUCIVNRTM-UHFFFAOYSA-N 389.484 4.122 0 1 GIAF Cc1ccc(N2CNC(=O)C23CCN([C@@H]2Cc4cccc5cccc2c45)CC3)cc1 26399285 HXAMTTDIZAWFKT-HSZRJFAPSA-N 397.522 4.174 0 1 GIAF COC(=O)/C=C1\CC[C@@]2(O1)[C@H](C)CC[C@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@@]12C 45337337 IFXOQBCVGIFCLI-VSSSNARASA-N 378.509 4.397 0 1 GIAF CCCN(CCC)c1cc(N(C)c2ccc(OC)cc2Cl)nc2ncnn12 72119699 RPRKVHJASHDEOD-UHFFFAOYSA-N 388.903 4.181 0 1 GIAF Cn1nc(-c2ccc(OCCCN3CCCCCC3)cc2)c2ccccc2c1=O 72127002 OMWHONXOKQTOHL-UHFFFAOYSA-N 391.515 4.245 0 1 GIAF CC(C)CCN(C)Cc1cn([C@@H]2CCCC[C@@H]2OC(=O)c2ccccc2)nn1 73199805 MMOBCPONRIIEJU-RTWAWAEBSA-N 384.524 4.097 0 1 GIAF COc1cc(NC(=O)c2ccc3cc(C(=N)N)ccc3c2)cc(OC(C)C)c1 89469485 CAWMJTJQSUGMSP-UHFFFAOYSA-N 377.444 4.172 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](CCCCCCc1cccc(OC)[n+]1C)C2 96938832 KPGCCMMQFMDKQA-KRWDZBQOSA-N 398.523 4.085 0 1 GIAF CC(=O)c1ccc(-c2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)cc1 586879045 CWOIHPGYAGYGDM-UHFFFAOYSA-N 378.482 4.467 0 1 GIAF Clc1cnc2[nH]c(-c3cnn4cccc(Br)c34)nc2c1Cl 587007009 UOKKYUQJGGJZTP-UHFFFAOYSA-N 383.036 4.342 0 1 GIAF Clc1ncc(Br)c2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587036854 OJWJQNBJOKAXPG-VIFPVBQESA-N 384.686 4.292 0 1 GIAF O=S(=O)(Nc1ccccc1-c1nc2cccc(F)c2[nH]1)c1ccc(F)cc1 587171731 UZIUCCRYDBQWBW-UHFFFAOYSA-N 385.395 4.309 0 1 GIAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(C)cccc2[nH]1 587181270 QEIZZZFXFUOION-SNVBAGLBSA-N 380.233 4.310 0 1 GIAF O=C1c2ccc(O)cc2O[C@@](c2ncc[nH]2)(c2ccco2)[C@H]1c1ccc(F)cc1 587348966 SSQFWKYSWMPUQP-UGKGYDQZSA-N 390.370 4.150 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cc(Br)ccc14)[C@@H](C2)C3=O 587416796 FOZGYVOEPUOLIK-ORAYPTAESA-N 384.229 4.428 0 1 GIAF COc1ccc(-c2noc(C)c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587436510 PYQRKYNODWAPIN-ZHRRBRCNSA-N 377.396 4.156 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)[nH]c(C(=O)OCC)c1C)CC2=O 587483187 LHTGXMOJGSZKQG-QFIPXVFZSA-N 385.460 4.347 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CC1CCC2(CC1)OCCO2 587607134 GGOMBSHQWSBCHC-UXHICEINSA-N 396.439 4.046 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3ccc(F)cc32)N1 587731849 LLBTYJFJUIELFY-MLCYQJTMSA-N 378.216 4.411 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3cnn(C)c3c2)N1 587762200 XLUXUDWTWCVHIT-JEOXALJRSA-N 388.284 4.273 0 1 GIAF CCOC(=O)[C@@]1(CC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792158 APCBKQZFDGLQAQ-VOJFVSQTSA-N 386.305 4.317 0 1 GIAF CCOC(=O)C1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 587794854 HLQADAJYIIBWNL-APPDUMDISA-N 384.289 4.071 0 1 GIAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2C2(CC(Cc3ccccc3)C2)N1 962627241 FGEHMNXLGOQAOJ-CZDRUDQFSA-N 391.389 4.032 0 1 GIAF CCc1ccc(C(=O)C[C@@]2(C(F)(F)F)NCCc3c2c(C(C)C)nn3C)cc1 962912855 AZXXSXXESZFKRW-HXUWFJFHSA-N 393.453 4.282 0 1 GIAF CN(C)C(=O)c1ccc2c(c1)[C@@](CCc1ccccc1)(C(F)(F)Cl)NCC2 962931066 ZOUZIPHSLUSLDM-FQEVSTJZSA-N 392.877 4.194 0 1 GIAF CCc1ccccc1[C@@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963154366 XDVLRYZTKBHOHR-HZPDHXFCSA-N 388.489 4.041 0 1 GIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](CCc2ccc(O)cc2)N1 963187415 UNLUNYHTQJBWTP-DLBZAZTESA-N 399.796 4.337 0 1 GIAF CN1CCc2c(Br)cccc2[C@@H]1c1cn(C)c(-c2ccccc2)n1 963281381 RPPVRRYWVWWVMB-LJQANCHMSA-N 382.305 4.427 0 1 GIAF COc1ccc([C@]2(c3ncco3)c3cccc(Br)c3CCN2C)cc1 963290393 VFPQEXFBMOMVJK-HXUWFJFHSA-N 399.288 4.226 0 1 GIAF CSc1ccc([C@@]2([C@H]3CC[C@H](C(=O)O)CC3)NCCc3ccc(O)cc32)cc1 963329623 PTQCCUJRDSTDMI-SEPYTNNBSA-N 397.540 4.394 0 1 GIAF Cc1ccc([S@@](=O)(=NC#N)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1 1911585217 SOZVZFKPLUXVMT-MUUNZHRXSA-N 394.500 4.017 0 1 GIAF CC(C)=CCCC(C)=CCC[C@](C)(O)[C@H]1Cc2c(O)cc3c(c2O1)CNC3=O 2356346902 CNUACMUVPKQEDD-OFNKIYASSA-N 385.504 4.163 0 1 GIAF CC(=O)O[C@H]1C[C@@H]2[C@@H]3CC[C@H]4[C@H](OC(C)=O)CCC[C@]4(C)[C@H]3C(=O)C[C@]2(C)C1 2356574946 UWGFXQDWWNQJNN-NPLGPCAWSA-N 390.520 4.072 0 1 GIAF CC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(c(O)cc3c2CNC3=O)C[C@H]1O 2356754767 XGUHYRYUXUVLOK-OFNKIYASSA-N 385.504 4.163 0 1 GIAF COc1ccc(C(=O)[C@@H](OP(=O)(OC)OC)c2ccccc2OC)cc1 95600615 MYVSHUVGTPXRQE-SFHVURJKSA-N 380.333 4.045 0 3 GIAF COc1ccc(C(=O)[C@H]2CCCN(Cc3nc4ccccc4s3)C2)cc1OC 23128454 RUVWMAKNAXDLNA-INIZCTEOSA-N 396.512 4.408 0 1 GIAF CCCC[C@@]12C[C@]1(C(=O)NCc1ccccc1)C(=O)Nc1ccc(Cl)cc12 34821560 USEREGWIQZTYGO-VXKWHMMOSA-N 382.891 4.427 0 1 GIAF COCCn1cccc1[C@@H](C)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 38479508 DZJGEWBZHPSJLI-SFHVURJKSA-N 398.528 4.111 0 1 GIAF Cc1oncc1CNC(=O)c1ccc2cc(-c3n[nH]cc3-c3ccccc3)[nH]c2c1 49808378 XLUGFNKYTODIAP-UHFFFAOYSA-N 397.438 4.451 0 1 GIAF COc1ccc(CCNc2cc(-c3cc(Cl)ccc3OC)ncn2)cc1OC 82161279 YMHCZETXWBPNIQ-UHFFFAOYSA-N 399.878 4.477 0 1 GIAF Cc1ccc(/C(=C2\C(=O)Nc3ccc(C(=O)O)cc32)c2nc3ccccc3[nH]2)cc1 84740706 RHEKRIVAMQDVLV-QZQOTICOSA-N 395.418 4.481 0 1 GIAF COC(=O)[C@H]1CCC[C@@H](C(=O)N2CC[C@@]3(C)c4ccccc4C[C@@H]2C3(C)C)C1 115792381 HQVDNAGGANXTMU-DUFJIPPSSA-N 383.532 4.107 0 1 GIAF CCNC(=O)c1ccc(Oc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146669584 CIFLXEVIBRCRMF-UHFFFAOYSA-N 387.439 4.076 0 1 GIAF O=C1CC[C@H]([C@@H](O)/C=C/CCCCCC=C(Br)Br)O1 198355096 CHSPIILKMVACOK-GAEWNOSXSA-N 396.119 4.191 0 1 GIAF CCc1oc(-c2ccc(C)cc2)nc1CCCC[C@H]1CO[C@@](C)(C(=O)O)OC1 253695113 YUNKXIVAULWGSR-MIRVZWSXSA-N 387.476 4.389 0 1 GIAF Cc1nnc(-c2ccc(Nc3nc4n(n3)CCC[C@H]4c3ccc(F)cc3)cc2)o1 299826366 HABKWGAMOAYFIB-SFHVURJKSA-N 390.422 4.445 0 1 GIAF O=C(Nc1cccc(C(F)(F)F)c1)c1c(NO)cc(-c2cccs2)oc1=O 473160539 YGEUDPJMKQRVGR-UHFFFAOYSA-N 396.346 4.441 0 1 GIAF CCCn1cnc2cc(-c3nc4nc(Cl)c[nH]c-4n3)cc(Br)c21 587003263 HWAHHAQWQAHEMB-UHFFFAOYSA-N 391.660 4.147 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029381 OYUWUQRZTDVQQK-UHFFFAOYSA-N 393.468 4.371 0 1 GIAF O=C(O)c1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587081591 QXHSCVSIQSKOAT-UHFFFAOYSA-N 389.802 4.291 0 1 GIAF FC(F)(F)Oc1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587084931 KQIXIJMPJIDQGL-UHFFFAOYSA-N 397.788 4.289 0 1 GIAF N[C@@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)C[C@H]1c1ccccc1F 587154353 DQLKYUQNMZUSLW-QFYYESIMSA-N 380.648 4.459 0 1 GIAF CC(C)[C@@H](c1nc2cc(Br)c(Br)cc2[nH]1)N(C)C 587198333 FLMACSPBVZCPBI-LBPRGKRZSA-N 375.108 4.347 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(Br)ccc(F)c31)O2 587387287 QCHJFYLPKIIGIW-GOSISDBHSA-N 376.225 4.286 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(OC)c(F)cc1Br)[C@@H](C2)C3=O 587424721 SYHHVVIDVWSZCW-BBATYDOGSA-N 393.208 4.094 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(C1CCNCC1)CC2=O 587465763 GNSFWKVFERSIRQ-QHCPKHFHSA-N 383.463 4.344 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCCC3)nc1OC)CC2=O 587476624 VTUJBTMGRDOQHY-QHCPKHFHSA-N 396.487 4.229 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(-c3ccccn3)c1C)CC2=O 587477931 WFJHJTNHUFUBFQ-QFIPXVFZSA-N 377.444 4.114 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)OC(C)C)cc1)CC2=O 587482656 PQYJSAKJJKNCKL-NRFANRHFSA-N 398.455 4.382 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1[nH]c(C)c(C(=O)OCC)c1C)CC2=O 587483340 MDINLZBNMFXYAA-QFIPXVFZSA-N 385.460 4.347 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(SCC)ccc21 587493977 VFKMXPJSYHCSEW-OAQYLSRUSA-N 383.469 4.270 0 1 GIAF CC(=O)Nc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578209 MYKHVBADONRMHO-UGKGYDQZSA-N 375.380 4.054 0 1 GIAF COc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587592713 JTCVRNYUPHRHCS-NFBKMPQASA-N 392.407 4.421 0 1 GIAF CSc1nc(C)cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587662155 VNHIHLZLXYYWLC-UHFFFAOYSA-N 378.432 4.012 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2=COCC2)(C(F)(F)Cl)N1 587708716 ZMTSHWJVIBNXSD-CLAHSXSESA-N 396.634 4.454 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc(F)ccc32)N1 587734027 QASSVAZAUIPOPX-MGNBDDOMSA-N 380.232 4.288 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccnc2)N1 587754770 MOHMWCKSARUZBW-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(cnn3C)c2)N1 587755482 ABNNSFCDJRKTEG-NSPYISDASA-N 388.284 4.273 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(CC(=O)O)cc2)N1 587828020 NQDHTLVBDRNWLH-NSPYISDASA-N 392.268 4.013 0 1 GIAF Cc1cc2c(cc1[C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCCO2 587833998 JMWXGZBSAMLCEU-NSPYISDASA-N 392.268 4.291 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=Cc3cc(O)ccc3OC2)N1 587836904 YMRZTDMGSLXBAS-OVWNDWIMSA-N 390.252 4.345 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C(F)(F)F)[nH]n1 587861055 LETZNOKDQMOLFI-UHFFFAOYSA-N 376.260 4.309 0 1 GIAF CCOC(=O)Cc1ccc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2c1 587925701 GWTUPYFXPWCOHE-CQSZACIVSA-N 382.460 4.032 0 1 GIAF COc1cc2c(cc1OC)[C@](CNC1CCCC1)(c1ccccc1)N(C)[C@H](C)C2 962637429 WUWUTFBYSOYCDM-CJAUYULYSA-N 394.559 4.356 0 1 GIAF O=C(Nc1cc(F)cc(F)c1)c1cc(O)nc2cc(Br)ccc12 1857746124 VRPYTQLGCJQZDA-UHFFFAOYSA-N 379.160 4.233 0 1 GIAF CCCCC[C@@H]1C=C[C@@H]2[C@@H](OC(C)=O)CC(=O)[C@@H]2CC=CCCCC(=O)O1 2356566767 TYOJAIKYXCRSCC-BNDYYXHWSA-N 376.493 4.302 0 1 GIAF COc1ccc2c(c1)C=C(CN1CCC(CO)(CCc3ccccc3)CC1)CO2 13596182 FWOGYIQHCVEICD-UHFFFAOYSA-N 393.527 4.178 0 3 GIAF O=C(Nc1ccccc1)c1cc([C@H]2CCCCN2C(=O)c2ccccc2)on1 61906560 AXMQDKFEMHPUCL-LJQANCHMSA-N 375.428 4.294 0 3 GIAF CSc1ccc(NC(=O)[C@]2(C)CCN2C(=O)C2(c3ccccc3)CC2)cc1 61927227 IXAOUBTWOJISPH-NRFANRHFSA-N 380.513 4.070 0 3 GIAF CC(=O)Nc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)cc1 2603021 VTRQLMHXOXVSAU-UHFFFAOYSA-N 394.500 4.358 0 1 GIAF CCSc1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 3814526 UKLQAJUWDDRARX-UHFFFAOYSA-N 386.494 4.489 0 1 GIAF O=C(N[C@H](c1ccc(Cl)cc1)C1CCNCC1)c1ccc2cnccc2c1 72180023 JKMRXGNFZRTSJG-OAQYLSRUSA-N 379.891 4.359 0 1 GIAF NC(=O)c1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3sccc23)cc1 84634128 FPGQJZNMSHOCKW-UHFFFAOYSA-N 386.440 4.077 0 1 GIAF CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)C(=O)CCO3)CC1 84687566 GDMONFHFRSPUDZ-UHFFFAOYSA-N 388.508 4.491 0 1 GIAF Cc1c(S(=O)(=O)Nc2cccc(C(=O)O)c2)sc2ccc(Cl)cc12 114593735 NFLZAWLLXDSRBZ-UHFFFAOYSA-N 381.862 4.362 0 1 GIAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]nc(Cl)c1C 142926087 TYPIWPUQWNSMIH-UHFFFAOYSA-N 390.874 4.458 0 1 GIAF CCCCCOc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1OC 146820730 IPEZJCCFZYRHKI-UKTHLTGXSA-N 383.488 4.342 0 1 GIAF c1cc(-c2nc(OC[C@@H]3CCCCN3)c3c4c(sc3n2)CCCC4)ccn1 223681163 QDNJAELNYCIBEV-HNNXBMFYSA-N 380.517 4.153 0 1 GIAF CC(=O)OC/C(=C\CC/C(C)=C\CO)[C@@H]1CC=C(CCC=C(C)C)C(=O)O1 238778722 DBVLRYKUPZMATI-TWZLSLNLSA-N 376.493 4.183 0 1 GIAF biogenic CCCCCCSC(=S)N1CCN(C(=S)NCc2ccccc2)CC1 299868508 RORZFDBJHMUPRH-UHFFFAOYSA-N 395.663 4.277 0 1 GIAF O=C(O)c1nc2ccc(O)c3c2c(c1Cc1ccccc1)-c1ccccc1C3=O 586991012 PZAMUDHWMWLGTL-UHFFFAOYSA-N 381.387 4.441 0 1 GIAF COc1cc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1O 586993533 XSGZNLVMPWKDMZ-UHFFFAOYSA-N 383.403 4.457 0 1 GIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cnc(C(F)(F)F)cc2[nH]1 587147407 LMDQQCRGTIACAK-UHFFFAOYSA-N 379.292 4.322 0 1 GIAF OCCc1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587183175 VCVIGLDXWOAZMK-UHFFFAOYSA-N 398.631 4.023 0 1 GIAF CC(C)COC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353312 YRWWRLOISFZVCZ-RBBKRZOGSA-N 386.419 4.238 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cc(F)c(F)c1F)O2 587381015 DZHZZTAYAJINJH-LBPRGKRZSA-N 386.167 4.464 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)O2 587401689 WLCFPPRMZZOGRW-VXKWHMMOSA-N 386.492 4.092 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(Br)c1OC)CC2=O 587457856 CPNLOVLMRDYLAJ-HNNXBMFYSA-N 392.249 4.217 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1cnn(CC(C)C)c1)(C(F)F)CC2=O 587467225 RRCCBVMDBDNYGZ-FQEVSTJZSA-N 378.419 4.323 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C=O)c3c(c1)CCCN3C)CC2=O 587475588 PVBUKNBFLFRNMK-NRFANRHFSA-N 379.456 4.246 0 1 GIAF CCCCCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593101 BYQOCNPQCNURIN-UGKGYDQZSA-N 384.428 4.236 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587599127 VRWALFUGNLBBFJ-LTRXETERSA-N 396.439 4.092 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(F)F)([C@@H]2CCCCC2=O)N1 587721131 VXVXYMVYVHOKQW-CINOJJQCSA-N 390.243 4.342 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587795871 JPJPQAPTXKKCTM-MAAUKKLOSA-N 398.316 4.317 0 1 GIAF Cc1cccc2c1OCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587834226 KFPBQVQYCCKXFO-HXPMCKFVSA-N 376.269 4.457 0 1 GIAF Cc1nc2sccn2c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587858032 XCMWARDZOBXPMA-XYZCENFISA-N 394.313 4.404 0 1 GIAF COc1ccccc1-c1ccc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc1 587932461 OOWRVACLKDXTPX-UHFFFAOYSA-N 380.425 4.152 0 1 GIAF Oc1cc(Cc2ccccc2)c(O)n1-c1cc2cnccc2c(Br)n1 587940025 HFZSPOSSFBTHQI-UHFFFAOYSA-N 396.244 4.185 0 1 GIAF Oc1ccc(OCCCc2ccccc2)n1-c1n[nH]c(-c2ccccc2F)n1 587946874 YJBRLVVFFAEOGH-UHFFFAOYSA-N 378.407 4.119 0 1 GIAF COc1ccc2c(c1OC)[C@]1(CC[C@H](c3ccccc3)C[C@H]1CN)N(C)[C@@H](C)C2 962642695 ZNBLBGPBFROSOS-FCOHUVPQSA-N 394.559 4.318 0 1 GIAF CC(=O)Oc1ccc([C@@]2(c3ccc(F)c(F)c3)NCCc3ccc(O)cc32)cc1 963341574 MGUXSDUUJDRXFS-QHCPKHFHSA-N 395.405 4.033 0 1 GIAF Nc1ncccc1-c1cc(Cc2ccnc(OCCc3cccc(F)c3)c2)no1 1857547897 NRCUCDOQDFFNST-UHFFFAOYSA-N 390.418 4.065 0 1 GIAF CCCCCc1cc(OC)cc(OCCCCCCCC(=O)NCCO)c1 1911581411 XEDRMGXWQVXEAF-UHFFFAOYSA-N 379.541 4.256 0 1 GIAF COC[C@@H]1C(=O)O[C@@H]2CC(C)=CCC=C(C(=O)OC)CCC=C(C)CC[C@@H]21 2356448371 BNSYBIBYECIBTQ-HSALFYBXSA-N 376.493 4.137 0 1 GIAF CC(=O)OCCC=CC=CC=CCCc1ccc(OC(C)=O)c(OC(C)=O)c1 2356452934 IKBCWIYBJPDKHH-UHFFFAOYSA-N 386.444 4.092 0 1 GIAF Cc1ccc(CN2CCCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2=O)cc1 200053384 DHVIAGWUBMELKB-HSZRJFAPSA-N 386.495 4.459 0 3 GIAF O=c1nc2c(ncn2Cc2ccccc2)c(-c2ccccc2)n1Cc1ccccc1 6581050 BYFVNANSHMCNMN-UHFFFAOYSA-N 392.462 4.357 0 1 GIAF CCN1CCc2c(sc(NC(=O)C(C)C)c2[C@H](O)c2ccccc2Cl)C1 13442814 MPECWFHBOWJSOY-GOSISDBHSA-N 392.952 4.456 0 1 GIAF CCCCOC(C(=O)OC[C@H]1CCCN1C)(c1ccccc1)c1ccccc1 31622937 QVNJEEFCKACCQR-JOCHJYFZSA-N 381.516 4.384 0 1 GIAF Cn1c(=O)cc(Nc2ccc(F)cc2F)c2cnn(-c3ccc(F)cc3F)c21 43059365 PWDVWVSCRXNJDE-UHFFFAOYSA-N 388.324 4.024 0 1 GIAF NCc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)cc1 49073396 WOHISNQXTSCFOC-QHCPKHFHSA-N 397.526 4.496 0 1 GIAF C[C@@H]1Cc2c(cc3occ(-c4ccc5c(c4)OCO5)c(=O)c3c2O)OC1(C)C 69482385 YWLRILIWWLAGDX-LLVKDONJSA-N 380.396 4.244 0 1 GIAF biogenic,in-vitro COc1cc(-c2cn(Cc3cccc4cccnc34)nn2)ccc1-n1cnc(C)c1 72114172 KIAAQVKBEOGDRA-UHFFFAOYSA-N 396.454 4.044 0 1 GIAF COc1cc(C(=O)NCC2(c3ccc(F)cc3)CCC2)ccc1-n1cnc(C)c1 84596593 HGILDCNNVSLNAS-UHFFFAOYSA-N 393.462 4.180 0 1 GIAF CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc3oc(-c4ccccc4)nc13)C2 101372596 ORIFHGMCBRVMDD-QZTJIDSGSA-N 375.472 4.240 0 1 GIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 104075674 XBQVKIPMINCVSM-OXJNMPFZSA-N 396.487 4.248 0 1 GIAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1cccc(C(F)(F)F)c1 117585539 LJLKBZKWGJLZIY-UHFFFAOYSA-N 393.409 4.217 0 1 GIAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@H](O)C[C@H]1c1ccc(OC)cc1 254129986 ZRFBSEQPZCOTTA-RJGXRXQPSA-N 398.551 4.093 0 1 GIAF COc1ccc(-c2cnc3snc(NC(=O)c4cccnc4)c3c2)cc1OC 299818933 BGZWIGUKNOGQFE-UHFFFAOYSA-N 392.440 4.023 0 1 GIAF CCCCNC(=S)N[C@@H]1C(=O)N(c2ccc(C)cc2)[C@@H]1/C=C/c1ccccc1 299828537 NLZGZRUXHCLEAA-LXQVRLNASA-N 393.556 4.056 0 1 GIAF Cc1cccc(N2C[C@@H](C)n3nc(COc4ccc(Cl)cn4)cc3C2=O)c1 473096836 ASPTVCAIZUMSQD-CQSZACIVSA-N 382.851 4.040 0 1 GIAF Oc1cccc2c1OCC(c1nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]1)=C2 586908633 PCQXJDVWQPJKJF-UHFFFAOYSA-N 383.276 4.251 0 1 GIAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(CCO)cc4[nH]3)ccc12 586918469 LWQIFRHAKWKFIM-UHFFFAOYSA-N 392.455 4.126 0 1 GIAF O=[S@](CCCc1nc2cc(Cl)cnc2[nH]1)c1ccc(Br)cc1 586961776 XPCAGOXRCIBWMP-JOCHJYFZSA-N 398.713 4.114 0 1 GIAF C=C1NC(C)=Cn2nc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc21 586989308 DKLNEMCKKVIISO-UHFFFAOYSA-N 392.418 4.408 0 1 GIAF Brc1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007152 MUKWXBMPVSHDCP-UHFFFAOYSA-N 392.054 4.403 0 1 GIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(Br)c(F)c2[nH]1 587070595 SBCVMUMCPXUUPW-JTQLQIEISA-N 382.664 4.403 0 1 GIAF COc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)nn1-c1ccccc1F 587157125 WMTBNVZWNVZEBP-UHFFFAOYSA-N 378.194 4.265 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587161747 BXHWLNXEEMBRJT-SJORKVTESA-N 387.480 4.052 0 1 GIAF Oc1nc(O)c2ccc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc2n1 587369288 YREFZRBCWPNJNU-UHFFFAOYSA-N 375.228 4.141 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccco1)(c1oc4ccccc4c1N)[C@@H](C2)C3=O 587434113 RJTACBIXTLIGPL-WNSKOXEYSA-N 387.391 4.308 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](C)C1)CC2=O 587474516 FTGDEBGBZUHRQY-PEBXRYMYSA-N 389.492 4.468 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCNc1ccc(F)cc12 587572828 XASBTELFJKJLQG-DENIHFKCSA-N 377.371 4.204 0 1 GIAF Cn1nc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587582072 NQDDFHUWMYOOBQ-WMZHIEFXSA-N 386.407 4.156 0 1 GIAF Cc1ccnc2c1c([C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C 587583437 WHQRYCUPGNJFER-KNQAVFIVSA-N 386.407 4.290 0 1 GIAF Cc1cc(C(=O)O)cc(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605957 CGDJCXYTYQAJGN-DENIHFKCSA-N 390.391 4.410 0 1 GIAF Cc1nc2c(s1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619751 UWGUPEYYTSXNDJ-UWJYYQICSA-N 379.437 4.351 0 1 GIAF COc1ccc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587713442 CGBMOPRRAZYJPN-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF CC(=O)[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587732941 OSHOFALHUXKRHQ-YPMLDQLKSA-N 380.232 4.094 0 1 GIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1C 587749644 PXCICNQMLAVQRQ-APBUJDDRSA-N 393.300 4.285 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3cn(C)nc23)N1 587756856 FXXNNELPKSPPKI-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF COc1ccc(OC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587802859 VLNCFBLXLAJHAB-BDJLRTHQSA-N 380.257 4.251 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CCC(=O)O)cc2)N1 587829693 SGKONODNWFHHDW-WLRWDXFRSA-N 392.268 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C3(C)COC3)cc2)N1 587835880 RDWQGEZRHQLCCZ-HXPMCKFVSA-N 390.296 4.500 0 1 GIAF CCSc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587845106 MWVPLWBBOBKALR-BJOHPYRUSA-N 382.302 4.114 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccnc1OC 587858118 CVBXKVTXFVVTHQ-UHFFFAOYSA-N 392.242 4.348 0 1 GIAF O=C(O)CCCCCCCCCCCCc1nc2ccc(-n3cnnn3)cc2[nH]1 587957107 GTMQOLMYGJWKJQ-UHFFFAOYSA-N 398.511 4.457 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(C3(c4ccccc4)CCC(=O)CC3)nc2c1 587971020 QPFTVSSYKJMOQC-UHFFFAOYSA-N 382.847 4.432 0 1 GIAF Cn1ccc(CN(c2ccc3[nH]ncc3c2)c2nc(-c3ccccn3)cs2)n1 653861619 DDEMFZYBCBJLRK-UHFFFAOYSA-N 387.472 4.153 0 1 GIAF CCOc1ccccc1N1CCN(CCCOCCCc2ccccc2)CC1 1857593825 XFRQWFRRENAYEX-UHFFFAOYSA-N 382.548 4.247 0 1 GIAF CCC(=O)c1cn(/C(=C\C(=O)OC(C)(C)C)CCC(OC)OC)cc1CC 15974644 GAXOEIDUNYWLAH-VBKFSLOCSA-N 379.497 4.225 0 3 GIAF Cc1nc(C)c(CNc2nc(OCCc3ccccn3)nc(Cl)c2C)s1 114805762 SAFPHTULZQIFPO-UHFFFAOYSA-N 389.912 4.140 0 1 GIAF in-vitro COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccccc3C(C)=O)cc2)C[C@@H]2CC[C@@H]1N2C 100801419 IKFLALJPMIMFEC-OUFMZXHOSA-N 377.484 4.296 0 1 GIAF CCS(=O)(=O)N(Cc1cccnc1)c1cccc(COc2ccccc2)c1 26836410 CMVOXBANCLVCTG-UHFFFAOYSA-N 382.485 4.017 0 1 GIAF CC[C@H](CO)Oc1cc(NCc2ccc(C(=O)O)cc2)c2ncn(C(C)C)c2c1 61948927 GBYYSVKNPOZNPD-QGZVFWFLSA-N 397.475 4.077 0 3 GIAF Fc1ccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cc1F 117424920 CRQRKOANWFJXDQ-UHFFFAOYSA-N 385.805 4.487 0 1 GIAF CC1=C2[C@@H](OC(=O)/C=C/c3ccccc3)[C@H](C(C)C)CC[C@]2(C)[C@@H](O)CC1=O 33818135 ASFMFQBFHOUIAG-LQLHBESCSA-N 382.500 4.334 0 1 GIAF biogenic CN1CC=C(c2c[nH]c3ccc(NC(=S)NC(=O)c4ccccc4)cc23)CC1 34805983 WLVQDSCVFJYKIP-UHFFFAOYSA-N 390.512 4.014 0 1 GIAF COCCn1c([C@H]2COc3ccccc3O2)nc2ccc(-c3ccncc3)cc21 49048366 GAIUQXBPYBQQNJ-JOCHJYFZSA-N 387.439 4.257 0 1 GIAF Cc1c(C)c2ccc(OCCCCOc3cc(O)cc(N(C)C)c3)cc2oc1=O 40916189 NUUDVYYCWRJWMB-UHFFFAOYSA-N 397.471 4.419 0 1 GIAF COc1cc(-c2nc(-c3nnc(S)o3)cc3c2[nH]c2ccccc23)ccc1O 40847079 YTXPDISCOOIQBI-UHFFFAOYSA-N 390.424 4.436 0 1 GIAF Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1N1CC[C@@H](N2CCC[C@H]2C)C1 261071580 AEONKHQDKWWIPC-YUQCVWRMSA-N 381.564 4.433 0 1 GIAF Cc1ccc(NCc2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)cc1C 473243956 GIQCRZGYPZBPFS-ZDUSSCGKSA-N 396.418 4.021 0 1 GIAF Cc1cc(=O)oc2cc(CNCCC3CCN(Cc4ccccc4)CC3)ccc12 653696837 HZEOKPNLIUABIQ-UHFFFAOYSA-N 390.527 4.493 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(CC(=O)O)cs2)N1 587847439 KMQMAVCPTKFWCB-XLFHBGCDSA-N 398.297 4.075 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587967067 KOEMNMHXJJAQLE-UHFFFAOYSA-N 399.560 4.481 0 1 GIAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586984885 WBBHRHKHBVUIAA-SECBINFHSA-N 386.080 4.270 0 1 GIAF COC(=O)[C@@H]1CCC[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346959 CXCZEXHMYCURHK-XLHILCRZSA-N 398.430 4.382 0 1 GIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1C 587590966 DUPDZIXLBMPPNG-WMZHIEFXSA-N 392.407 4.421 0 1 GIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cccc(Br)c4[nH]1)(C3)C2 587951314 YILXIHDRXDEMIL-NFAYLAGKSA-N 389.293 4.479 0 1 GIAF N=c1ncc(-c2cccc(-c3nc4cc(Br)cc(F)c4[nH]3)c2)c[nH]1 587254822 QBIYRTOSKLWMIY-UHFFFAOYSA-N 384.212 4.001 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCN4CCCCC4)cc1)[C@@H](C2)C3=O 587444986 SWKBWZGDMUSNIC-GBXCKJPGSA-N 393.483 4.049 0 1 GIAF CCOC(=O)C[C@@]1(c2ccc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587497117 FOJOOIDZEQQKMP-JOCHJYFZSA-N 399.874 4.428 0 1 GIAF C[C@@]1(CCc2ccc(OCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520930 GPTANKQQDHQOJP-XMMPIXPASA-N 394.467 4.386 0 1 GIAF COc1ccc(NC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867830 CKCPPXTYSALKTK-UHFFFAOYSA-N 392.337 4.061 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)nc1 587557420 RNOFIKAUIOXLDX-VQIMIIECSA-N 385.322 4.092 0 1 GIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Br)cnc2[nH]1 587200922 BQQOOCPSMOIFQX-UHFFFAOYSA-N 397.317 4.301 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Br)cc(F)c2[nH]1 587044311 ZONGSAPKVHKKTC-NSHDSACASA-N 386.290 4.085 0 1 GIAF COc1cccc(-c2cc(O)n(-c3cccc(C4=NC(C)(C)CO4)c3)c2O)c1 587935682 PNUZWTFQIIBCGD-UHFFFAOYSA-N 378.428 4.120 0 1 GIAF Cc1c([C@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2ccc(S(C)(=O)=O)cc12 587651569 WFCDDQTVIRWUSZ-QGZVFWFLSA-N 392.521 4.342 0 1 GIAF CC(C)NC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587756943 SMSQLEOUJJRITC-VLIAUNLRSA-N 391.328 4.364 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cnc(Cl)s3)nc2c1 587020948 DJSLLUBINACOPH-UHFFFAOYSA-N 386.658 4.279 0 1 GIAF Ic1cnc2nc(-c3ccc(C4CCC4)cc3)[nH]c2c1 586881076 QDUFICVSLPVIQR-UHFFFAOYSA-N 375.213 4.497 0 1 GIAF O=[S@](Cc1nc2ccc(CO)cc2[nH]1)C(c1ccccc1)c1ccccc1 586959184 JHMONEGZXWHESC-HHHXNRCGSA-N 376.481 4.094 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1sc(=N)[nH]c1C 587861130 KBENOVRFUWRYND-UHFFFAOYSA-N 397.287 4.122 0 1 GIAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587168813 NLFKWEIHLUUPJU-SECBINFHSA-N 388.342 4.136 0 1 GIAF O=C(O)c1cccc2c1Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991700 VRDKQCSJZWOYBB-UHFFFAOYSA-N 379.371 4.421 0 1 GIAF Oc1nc(S)nc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc12 587015940 ZLADNBGCHRQVRT-UHFFFAOYSA-N 396.284 4.445 0 1 GIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2[nH]ccc2Cl)N1 963180666 NQRIFLRIXSROIC-RYUDHWBXSA-N 379.165 4.029 0 1 GIAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@H]2CC2(F)F)N1C(=O)c1ccccc1 963450659 VHXIMPUKHMLBHP-HHXXYDBFSA-N 396.393 4.016 0 1 GIAF CCn1ncc2cc3nc(c21)/C=C\COC(C)(C)[C@H](c1ccccc1)NC(=O)N3 1772579052 UBKITLSETNCEQV-WUQYLLKWSA-N 391.475 4.136 0 1 GIAF O=C(c1cccc(Cl)c1)N1CCN(c2ccc(-c3ccccn3)cc2)CC1 1772584600 WHDWOAFYERLRTO-UHFFFAOYSA-N 377.875 4.364 0 1 GIAF CCOC(=O)c1ccc(NC(=S)Nc2ccc(Br)cc2N)cc1 12477533 KCJJYSUWZWPLMX-UHFFFAOYSA-N 394.294 4.017 0 3 GIAF Cc1cccc(COc2nn3c(-c4ccccn4)nnc3c3c2C2CCC3CC2)n1 13580831 KFMFWOCTCNKUIB-UHFFFAOYSA-N 398.470 4.224 0 1 GIAF Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1O)SC(N)=N2 17222117 QMUKUOKRJOJRAA-MRXNPFEDSA-N 398.875 4.021 0 1 GIAF C/C(=C/CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(F)cc1 538370 YBPJJOQQWQASHM-SWNXQHNESA-N 393.506 4.048 0 1 GIAF in-man c1ccc2c(c1)N=C(N1CCN(C[C@H]3CCCO3)CC1)c1ccccc1S2 12356207 BWMIMNUXQCHAAF-QGZVFWFLSA-N 379.529 4.026 0 1 GIAF O=C1c2ccccc2C(=O)N1C[C@@H]1C[C@H]2c3ccccc3Cc3ccccc3N2O1 13436976 ZXIPGUHBRFTYRJ-MBSDFSHPSA-N 396.446 4.139 0 1 GIAF COc1cc(O)c(Cc2ccc(O)cc2)c2c1-c1ccc(O)c(OC)c1CC2 13460634 OFPLFWULRFYTQP-UHFFFAOYSA-N 378.424 4.177 0 1 GIAF biogenic CCOc1cc2c(cc1OC(C)=O)C(=O)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 26494538 BQBOABNOMRVZDN-RFQISNHWSA-N 386.488 4.258 0 1 GIAF COc1ccccc1-c1cn2c(-c3cccc(Cl)c3)c(CN)c(C)nc2n1 35900754 ZMMBJQQNUYVVPU-UHFFFAOYSA-N 378.863 4.492 0 1 GIAF CC(C)N(CC[C@](CCN(C)C)(C(N)=O)c1ccc(C(C)(C)C)cc1)C(C)C 40465213 FGUUVDXWQTYPKN-DEOSSOPVSA-N 389.628 4.168 0 1 GIAF COc1cc(-c2ccc(NCc3ccc(F)cc3)nn2)ccc1-n1cnc(C)c1 72176508 IYBVVYDSPJBLTM-UHFFFAOYSA-N 389.434 4.398 0 1 GIAF COC(=O)c1c(C)c2c(c(Cl)c1O)OC(=O)c1c(cc(O)c(Cl)c1C)O2 85996179 WHFFTLHZVRQSLW-UHFFFAOYSA-N 399.182 4.133 0 1 GIAF FC(F)(F)c1cccc(Sc2ccc3nnc(C4CCOCC4)n3n2)c1 95602882 ZURKMCPPZUDBAQ-UHFFFAOYSA-N 380.395 4.188 0 1 GIAF CCOc1cccc(C2(N3CCN(c4ccccn4)CC3)[C@H]3CC(C)C[C@@H]32)c1 101685190 UYOMNRLIQVSKMQ-GNBVAXDKSA-N 377.532 4.174 0 1 GIAF COc1cc(/C=C2\OC(=O)C(Cl)=C2Cl)ccc1OCc1ccccn1 103229247 TVOYMUJQDNCTLS-DHDCSXOGSA-N 378.211 4.256 0 1 GIAF Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4ccccc4)C[C@H]32)n1 116828661 MZDGWJKFCYEWNJ-NZQKXSOJSA-N 398.510 4.111 0 1 GIAF Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)cc1CC(=O)O 168909550 KKABFBQFDHCQRF-UHFFFAOYSA-N 399.450 4.272 0 1 GIAF COc1ccc([C@@H]2/C=C/CN(CC(C)C)CC(=O)N2Cc2cccc(F)c2)cc1 169298284 IRRUMAHLWIUQQB-GPVJQRHHSA-N 396.506 4.432 0 1 GIAF O=C(Nc1ccc(-n2c(O)c3c(c2O)CCCC3)c(Cl)c1)c1ccccn1 169689259 UBIADIAOGDSPNZ-UHFFFAOYSA-N 383.835 4.068 0 1 GIAF CNc1nc(C)cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 224547810 LINAHKXMUJXLIG-UHFFFAOYSA-N 380.427 4.065 0 1 GIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 586931065 UEGBJLIDRIZNBE-UHFFFAOYSA-N 383.517 4.139 0 1 GIAF Clc1nccc(-c2nc3cc(Br)cnc3[nH]2)c1Br 586979073 FWQFUOKGMOAYQT-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF Fc1cc(Br)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587042658 VIZSHOSOUCRUOG-HUUCEWRRSA-N 392.297 4.411 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccnc(O)c2[nH]1)c1cccc(Cl)c1 587071847 QQMXPTWLUNANJL-AWEZNQCLSA-N 388.855 4.125 0 1 GIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587108911 IWOSDSLIXACQNA-UHFFFAOYSA-N 375.228 4.361 0 1 GIAF Cc1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc(-c2ccc(F)cc2)n1C 587165762 CKUSUKKHHOFPDH-UHFFFAOYSA-N 375.329 4.443 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](O)(C4)C3)[C@H]1c1ccc(F)cc1 587356352 PBHVDUXDFNSTDL-PIZNUVBQSA-N 394.442 4.200 0 1 GIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1Br 587379188 ZXLDXMMHJQGEKK-INIZCTEOSA-N 392.249 4.063 0 1 GIAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1cc4ccccc4o1)[C@@H](C2)C3=O 587426877 BXFUTGPYLTYKPI-ISLBAOEISA-N 375.424 4.160 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(F)cc(Br)c41)[C@@H](C2)C3=O 587429128 SUNGNAKMZDHOTG-DJJJIMSYSA-N 389.220 4.186 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1csc(-c4ccc5c(c4)OCO5)n1)[C@@H](C2)C3=O 587453723 YRZRVSMAAOOQAB-RBZFPXEDSA-N 393.420 4.036 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cccnc1NC(=O)C(C)(C)C)CC2=O 587472194 YSCQMSFINVOKJH-GOSISDBHSA-N 382.460 4.431 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC3CCOCC3)nc1)CC2=O 587486787 LMPLPAFVVRXYQA-HXUWFJFHSA-N 383.444 4.004 0 1 GIAF O=C1C[C@@H](c2c(O)ccc(O)c2Br)Oc2c1ccc1c2CCCC1 587505760 VLZTYPWUUTVNKS-INIZCTEOSA-N 389.245 4.446 0 1 GIAF COc1ccccc1[C@]1(CNC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587512686 OEPAWYOZVQNOAD-XMMPIXPASA-N 379.500 4.433 0 1 GIAF COC(=O)[C@@]1(c2c(C)[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587527223 UBNBCSQYTSUCCX-DEOSSOPVSA-N 389.451 4.389 0 1 GIAF C[C@@]1(COc2cccc(C=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596283 QNOADZUXOBHHJW-OFNKIYASSA-N 390.391 4.004 0 1 GIAF CCCSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587615205 XAKFZMMGGYGLSU-PXNSSMCTSA-N 394.452 4.387 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccncc2)(c2ccncc2)N1 587776148 BHVAVIKZYOWQCL-ZDUSSCGKSA-N 398.279 4.204 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1nc(C)cs1 587864685 SEYTUVYEMMTBEY-UHFFFAOYSA-N 381.379 4.225 0 1 GIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc(Cl)c(F)cc2F)N1 962978518 RMVKZVOWCLQDKF-WFASDCNBSA-N 394.151 4.238 0 1 GIAF O=C(Nc1ccccc1)c1cc([C@H]2CCCCN2C(=O)c2cccs2)on1 61904159 ISWYWWNZEFLEHK-MRXNPFEDSA-N 381.457 4.356 0 3 GIAF CC(C)CC(C/C=C1/C[C@](CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C 1659271 XKEOGEXDEKIDNA-KRJVNCKSSA-N 382.541 4.279 0 1 GIAF c1cnc2ccc([C@H](c3nnnn3C3CCCCC3)N3CCCCC3)cc2c1 4230591 OLBARNXCIIDMBQ-OAQYLSRUSA-N 376.508 4.302 0 3 GIAF CN(C(=O)c1ccc2[nH]c(NC(=O)c3cccs3)nc2c1)C1CCCCC1 28822775 IMNPKIIYTUQSLC-UHFFFAOYSA-N 382.489 4.281 0 1 GIAF CNC(=O)Oc1cccc(OC/C=C/COc2ccc(C(F)(F)F)cc2)c1 103205240 RCWPERZUJYMJRA-NSCUHMNNSA-N 381.350 4.438 0 1 GIAF O=C(O)CCC[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cc2cc(F)ccc2[nH]1 58649481 DLZZNQTXKPJOKN-IEBWSBKVSA-N 380.419 4.000 0 1 GIAF in-vitro O[C@@H]1c2ccc(OCc3ccc4ccccc4n3)cc2OC[C@H]1Cc1cccnc1 27999985 VKBRTGJMTHOBAG-CLOONOSVSA-N 398.462 4.494 0 1 GIAF CCS(=O)(=O)c1ccc(OC)c(-c2ccc([C@@H](C)N3CCCCCC3)[nH]2)c1 28242725 UFIWJALMIXDJPT-MRXNPFEDSA-N 390.549 4.421 0 1 GIAF Cc1cc(C(N)=O)c2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113654748 HHRIIEGZTIJORA-UHFFFAOYSA-N 396.494 4.414 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26395885 GNWBLLYJQXKPIP-WTNFDHGDSA-N 388.596 4.334 0 1 GIAF CCOC(=O)N(C)c1c(CC)nc2c(OCc3ccccc3OC)cccn12 61908881 GIJRVEUOIIXWBE-UHFFFAOYSA-N 383.448 4.077 0 3 GIAF Cc1nn([C@@H](C)c2ccccc2)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12 64447221 YSNYZLUBXDTXPJ-INIZCTEOSA-N 395.466 4.332 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@@]21C 33820902 NDNKSCVFFBSTEL-AURDAFMXSA-N 388.548 4.462 0 1 GIAF CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc(N)c3)cc2)c1 73280343 YREDMUUTYATVJL-UHFFFAOYSA-N 389.459 4.113 0 1 GIAF COc1ccc(C(=O)Nc2nnc(-c3c(C)cc(C)cc3C)s2)cc1OC 43023732 USOYRWVLDPPISF-UHFFFAOYSA-N 383.473 4.400 0 1 GIAF O=C1CC[C@@H]([C@H](O)/C=C/CCCCCC=C(Br)Br)O1 198355108 CHSPIILKMVACOK-BAEOLTKYSA-N 396.119 4.191 0 1 GIAF COc1ccccc1-c1cc(O)n(-c2cc(C)n(Cc3ccccc3F)n2)c1O 587944797 IHIPJOBWUBLPJB-UHFFFAOYSA-N 393.418 4.256 0 1 GIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(OC(C)C)cc2[nH]1 586973113 NWKCETIGTFEXPU-HXUWFJFHSA-N 383.517 4.461 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3ccc(F)cc23)N1 587735778 VDNDBRHXUQNEAV-BCTVWOGZSA-N 378.220 4.227 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(N)cc1 587863859 CAHZRADCDRTNAH-UHFFFAOYSA-N 375.350 4.238 0 1 GIAF Clc1cnn2c(-c3nc4cc5[nH]ncc5cc4[nH]3)cc(-c3ccccc3)nc12 587081308 NEUSZDFHCRLNEQ-UHFFFAOYSA-N 385.818 4.469 0 1 GIAF CC[C@H](O)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586901687 XNDQMYZLYTZQMG-AWEZNQCLSA-N 381.329 4.417 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(C(F)(F)F)cc3)c1)O2 587382788 OBQILENMHNVPQU-GOSISDBHSA-N 387.361 4.488 0 1 GIAF O=C(O)CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601379 DABZTYQLYOUOCW-OFNKIYASSA-N 390.391 4.112 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 587232948 DMILKNWFJXPBQA-WCBMZHEXSA-N 399.264 4.020 0 1 GIAF COc1ccc(-c2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2)cc1OC 587928517 IBZXUFCCHPQFQQ-UHFFFAOYSA-N 396.497 4.282 0 1 GIAF Clc1nccc(-c2nc3cncc(Br)c3[nH]2)c1Br 586979475 NINFBNSPXJPZMK-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF O=Cc1cccc([C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587601161 FJHRYUHCUOJMGP-URXFXBBRSA-N 386.403 4.472 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2[C@H]2CCCCO2)N1 587759447 KZGWTVKVBIMORH-MZKGEVEHSA-N 394.288 4.107 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)c[nH]c3nccc2-3)N1 587729309 GVYWKOMDZGQPFL-YYSFKGJASA-N 392.247 4.353 0 1 GIAF CCOc1cc(CC(C)=O)c(OCC)n1[C@H](COc1cc(F)cc(F)c1)N=O 587944182 CJZFTYOXQXJPEI-QGZVFWFLSA-N 396.390 4.039 0 1 GIAF CCC(=O)OC1=C(C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587813590 VWHMJFGWFVKONG-VOJFVSQTSA-N 382.273 4.339 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1C 587475396 NXYZSIVRPRQHAY-JLCFBVMHSA-N 389.492 4.326 0 1 GIAF O=C(O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587547538 UAOXPNJSSVQUDM-UZLBHIALSA-N 396.782 4.447 0 1 GIAF CCOc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867568 KCOUPLQHHFMUSW-UHFFFAOYSA-N 391.349 4.060 0 1 GIAF O[C@H]1CC[C@@H](c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 586899867 USMCDQYUOBWRHR-OTSSQURYSA-N 379.176 4.243 0 1 GIAF Cn1ncc(Cl)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326840 DDWIAWRIHRMQSN-YLJYHZDGSA-N 386.810 4.193 0 1 GIAF Cc1ccc(-c2ccc([C@@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)s2)s1 963465433 CMUBRFKTDUWNGG-DJJJIMSYSA-N 385.510 4.487 0 1 GIAF Cc1cc(CN2CCC[C@@H](C)C2)c(C)c([C@@H]2NCCc3nc4ccccn4c32)c1 962984848 OCCHHTARQIRWFO-OSPHWJPCSA-N 388.559 4.418 0 1 GIAF CCO/C=C/[C@]1(C(F)(F)F)NC2(CC2)Cc2ccc(Br)cc21 961319386 IDRRCTPDTIDXGK-KIUWMYQTSA-N 376.216 4.435 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CNC1CCCC1)c1ccc(F)cc1 963634098 JDAYCDFNBSECSD-GYCJOSAFSA-N 398.522 4.153 0 1 GIAF C[C@]1(c2ccc(Cl)nn2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962639267 PYBCYQRRKAPKKK-WMZHIEFXSA-N 390.918 4.140 0 1 GIAF Cc1cc(Br)c(F)cc1[C@@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963023783 KZOHZEVIIQUGKE-NSPYISDASA-N 389.268 4.039 0 1 GIAF CCOc1cc2c(cc1OC)CCN1Cc3[nH]c4ccc(OC)cc4c3C[C@H]21 1772589145 IGNMXZAJSSBOSZ-OAQYLSRUSA-N 378.472 4.239 0 1 GIAF Cc1ccc(-c2nc3nc(CNc4ccc(C)c(Cl)c4)cc(O)n3n2)cc1 14609045 QSHHGKRHNJKSQF-UHFFFAOYSA-N 379.851 4.379 0 1 GIAF CCCCN(CC)c1nc(C)nc2c1NC(=O)CN2c1ccc(C(C)=O)cc1C 14975092 YISHTNZLSQKFKB-UHFFFAOYSA-N 395.507 4.013 0 1 GIAF COc1ccccc1N1CCN([C@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 169334370 RYBKCSDAQTWVRQ-RPBOFIJWSA-N 388.511 4.292 0 1 GIAF CCOc1ccc(-n2c(O)cc(Sc3nnc(-c4ccccc4)[nH]3)c2O)cc1 169689781 JEDBMLFDZAAJIJ-UHFFFAOYSA-N 394.456 4.224 0 1 GIAF Cc1cc(-c2noc(C(C)C)n2)cc(C)c1Oc1ccnc(C(=O)N(C)C)c1 1857763829 ULUBBWPIEFNZNN-UHFFFAOYSA-N 380.448 4.366 0 1 GIAF Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccccc1O 994939 NKELUWMWZWKVOB-JOCHJYFZSA-N 388.467 4.461 0 1 GIAF O=C1CC[C@H](C=C[C@H](O)CCCCCC=C(Br)Br)O1 2356392724 MZAQGPQBEPVOJJ-NEPJUHHUSA-N 396.119 4.191 0 1 GIAF Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1cccc(F)c1)CC(=O)N2 2724190 VHRQSTLHYLGUJB-QFIPXVFZSA-N 392.405 4.457 0 1 GIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 104075683 XBQVKIPMINCVSM-OXQOHEQNSA-N 396.487 4.248 0 1 GIAF CCCCOc1ccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 29479229 FYGWXGDUNIFGSA-UHFFFAOYSA-N 393.413 4.138 0 1 GIAF COc1ccc(NC(=O)[C@]2(C)CCN2Cc2ccc(SC)cc2)cc1OC 61902495 SRZQSHYHNBIFAK-NRFANRHFSA-N 386.517 4.029 0 3 GIAF CN(C1CCCCC1)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 20580911 QEUKLIWBYGNEAQ-UHFFFAOYSA-N 394.440 4.375 0 1 GIAF CC(=O)O[C@H](C=C(CCC=C(C)C)C(=O)O)C[C@H](C)[C@@H]1C=C[C@](C)(O)CC1 2356786912 SXVJMKQNUYLIKJ-UPSSIMKTSA-N 378.509 4.419 0 1 GIAF C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 34010186 RUDATBOHQWOJDD-YVTRIHSXSA-N 392.580 4.478 0 1 GIAF CC(C)CN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1 82214706 SIMLMNGLBNNXJE-QZTJIDSGSA-N 380.536 4.354 0 1 GIAF COc1ccc(-c2cc3ccc(OC4CCN(C)CC4)c(C)c3oc2=O)cc1 84730158 KQJLPEVBVSGABG-UHFFFAOYSA-N 379.456 4.250 0 1 GIAF CN(Cc1ccccc1)C(=O)c1cc(-c2ccnc(Nc3ccccc3)n2)c[nH]1 87612953 OKRCRUSKWXFPSC-UHFFFAOYSA-N 383.455 4.488 0 1 GIAF Cc1csc(N2C(=N)S/C(=C\c3c[nH]nc3-c3ccc(F)cc3)C2=O)n1 40916815 XEDJXSFRRAPTJV-PPWWSIPDSA-N 385.449 4.036 0 1 GIAF COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@@]21CCSC(N)=N1 140680624 RYZVINVHWKMZQC-HXJXPZHGSA-N 380.557 4.227 0 1 GIAF CSc1ccc(S[C@@H]2CN(Cc3ccc(C)cc3)S(=O)(=O)C2)cc1 96021208 UROHYWAZAMYXEW-GOSISDBHSA-N 379.572 4.023 0 3 GIAF COc1ccc([C@@H]2CC(=O)N[C@H]3CCCC[C@@H]3N2Cc2ccccc2)cc1OC 96929576 PBSSDXVPVMQJOQ-ACRUOGEOSA-N 394.515 4.078 0 1 GIAF CC[C@@H](C)C(=O)Oc1ccc([C@@H](O)CNC(C)(C)C)cc1OC(=O)[C@H](C)CC 149640087 HQLFPHIXYWCPLH-INMHGKMJSA-N 393.524 4.011 0 1 GIAF Cc1ccc2c(Oc3ccccc3OCCn3ccc(O)nc3=O)cccc2c1 299835793 LUOMZKXZABWBIY-UHFFFAOYSA-N 388.423 4.282 0 1 GIAF CCOC(=O)c1cc2cc(N3CCN(C(=O)CC4CCCCC4)CC3)ccc2o1 299827770 HTYZTYVZOIQDBR-UHFFFAOYSA-N 398.503 4.229 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(O)c(Br)c1)O2 587376149 HMXCNFICTCDRHF-AWEZNQCLSA-N 382.641 4.405 0 1 GIAF CC[C@@]1(Cc2nc3cc(Br)cnc3[nH]2)CC(=O)c2ccccc2C1 587959108 CRCDJOFSIFQYMU-IBGZPJMESA-N 384.277 4.488 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@@H]2CCCC2=O)(C(F)(F)F)N1 587710888 UXKODINCLNUKPX-FFIJEWMLSA-N 394.206 4.249 0 1 GIAF Oc1nncc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587069472 DLUWZVDQENVROY-RMKNXTFCSA-N 378.819 4.461 0 1 GIAF CC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587745890 XMBBFIILCIYARZ-WYRIXSBYSA-N 391.284 4.344 0 1 GIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1O 587545771 PKPVMMRHORUSAY-HRAATJIYSA-N 398.798 4.463 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(c3ccc(F)cc3)C2)N1 587728194 FDUUHDCJBWAAMZ-HXPMCKFVSA-N 393.275 4.367 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1[nH]c2nccc-2cc1F 587567188 FXLJNVUQUXOMDR-OXQOHEQNSA-N 376.343 4.062 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O 587420713 QVVOBGKXUUYBMD-IFXJQAMLSA-N 377.223 4.391 0 1 GIAF COc1cc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587543698 LIJMYCLSDNRNSA-NQIIRXRSSA-N 398.798 4.463 0 1 GIAF CCOC(=O)C[C@@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587528073 ZBUPRLCHCZZCKT-XMMPIXPASA-N 394.467 4.388 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)CCC(=O)N3C)CC2=O 587484931 HEQMFDABQRZULN-QHCPKHFHSA-N 379.456 4.134 0 1 GIAF CCOC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccccc1Br 587633051 XSCISFZJRRBFTC-UHFFFAOYSA-N 390.208 4.477 0 1 GIAF Cc1nc2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc2cc1Br 587082123 KYDOWWAFBMCNHR-UHFFFAOYSA-N 393.672 4.283 0 1 GIAF Cc1c(Cc2ccccc2Br)[nH]c2ccc(S(C)(=O)=O)cc12 587648774 LCYRHODCVILNAA-UHFFFAOYSA-N 378.291 4.233 0 1 GIAF CC[C@]1(c2ccc(C(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607455 IOUSDLKEOWYNAX-WMZHIEFXSA-N 390.391 4.358 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(N(C)C)cc1)[C@@H](C2)C3=O 587431201 ZNXUXIYXOCPUOU-OFVILXPXSA-N 385.463 4.452 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Br)c(F)cc1F)[C@@H](C2)C3=O 587424631 QLVDDLZWIZYNFT-BBATYDOGSA-N 395.199 4.399 0 1 GIAF C[C@H]1CCC[C@@]2(C1=O)c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961773064 CYLATDQNPMKMSK-WNSKOXEYSA-N 384.520 4.422 0 1 GIAF Cc1ccc(C[C@]2(C3CC3)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962967675 BTRZFMDRGMIXRZ-DYESRHJHSA-N 391.845 4.374 0 1 GIAF CCCCN1CCC(COC(=O)c2c3n(c4ccccc24)CCCCO3)CC1 13744381 FBUHEYRHDPWJEF-UHFFFAOYSA-N 384.520 4.483 0 1 GIAF COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2cc(C)nc21 13860481 RUNNVRAUZDLQQZ-KRWDZBQOSA-N 394.862 4.074 0 1 GIAF CC(C)CN(C=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169713948 NXXBOHRMYWWVFA-LXFXUZJTSA-N 388.596 4.333 0 1 GIAF Cc1nc(NCc2sc(C)nc2C)c(C)c(OC[C@H]2C[C@@H]2c2ccccn2)n1 205843291 SJCKAGOBSNUNNF-SJORKVTESA-N 395.532 4.356 0 1 GIAF Clc1cccc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)c1Cl 1857553797 RGFMGCDMQKTSGJ-UHFFFAOYSA-N 379.287 4.087 0 1 GIAF CC[C@H](C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)nc1)c1ccccc1 1857632912 GMTQIBOGHFJELF-KRWDZBQOSA-N 392.434 4.188 0 1 GIAF Fc1[nH]nnc1-c1ccnc(-c2cn(Cc3cccc(Cl)c3Cl)cn2)c1 1857770280 BMWOUCCUJBHODC-UHFFFAOYSA-N 389.221 4.224 0 1 GIAF O=c1[nH]c2ccc(N3CCC[C@H]4CCCC[C@@H]43)nc2nc1Cc1ccc(F)cc1 4048880 FFGLDZZKSJXRRT-UZLBHIALSA-N 392.478 4.207 0 1 GIAF COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4053957 VTHSYEYBJSARJY-PZJWPPBQSA-N 392.480 4.165 0 1 GIAF CCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(Cc3cccs3)c2n1 4239196 FOCOJLFFTFGPSN-UHFFFAOYSA-N 397.891 4.049 0 1 GIAF Cc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CC2)cc1 61905426 IVCJMHRODGVOKD-OAQYLSRUSA-N 382.891 4.310 0 3 GIAF Clc1ccccc1[C@@H]1CNCc2cc(OCCCN3CCCCC3)ncc21 28883013 KIFGUYTXOHEXTE-FQEVSTJZSA-N 385.939 4.225 0 1 GIAF O=C(Nc1cccs1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 29056966 UFVKRSFIZOEYGJ-UHFFFAOYSA-N 392.889 4.455 0 1 GIAF COc1ccc(-c2csc3nnc(Cc4ccc(Cl)cc4)c(=O)n23)cc1 64393126 QDDFBPPKHCHTIZ-UHFFFAOYSA-N 383.860 4.071 0 1 GIAF CCc1cc(-c2noc(-c3cc(-c4ccccc4)n(CC)n3)n2)c(C)nc1O 116974352 MLXBVNSNQRXSON-UHFFFAOYSA-N 375.432 4.258 0 1 GIAF CC(=O)OCC=C(C)CC[C@H](O)[C@]1(C)CCC=C(CCC=C(C)C)C(=O)O1 2356606196 HEHIVTKZZNEECQ-UNMCSNQZSA-N 378.509 4.405 0 1 GIAF CC(=O)Oc1ccc(-c2nc3n(c2-c2ccc(OC(C)=O)cc2)CCS3)cc1 34079729 NRRNJQVXSZAZOC-UHFFFAOYSA-N 394.452 4.173 0 1 GIAF CC(C)C[C@H](NC(=O)N(C(=O)c1cc2ccccc2[nH]1)c1ccccc1)C(=O)O 40896255 MUQTXBOSNNMHTI-IBGZPJMESA-N 393.443 4.024 0 1 GIAF CC(C)N(CC[C@@](CCN(C)C)(C(N)=O)c1ccc(C(C)(C)C)cc1)C(C)C 40465214 FGUUVDXWQTYPKN-XMMPIXPASA-N 389.628 4.168 0 1 GIAF COc1ccccc1-c1csc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 82192425 BPMYYPLKERNWNX-IBGZPJMESA-N 393.512 4.104 0 1 GIAF O=C(c1ccccc1Cl)N1CCCN(C(=O)c2ccccc2Cl)C1=S 40913939 SGMMGNBWSAXAOC-UHFFFAOYSA-N 393.295 4.267 0 1 GIAF c1ccc(-c2ccc3[nH]nc(-c4cncc(O[C@H]5CNCCC56CC6)n4)c3c2)cc1 299870966 XHSLKDXAYGZSRO-NRFANRHFSA-N 397.482 4.208 0 1 GIAF CCOC(=O)c1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2c1 587241829 KLZMBJBYMDKLRM-UHFFFAOYSA-N 397.431 4.459 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cncc(F)c1)C1CC1 587571610 QVUMFAYNRDGBHD-DENIHFKCSA-N 377.371 4.193 0 1 GIAF CCOC(=O)CC[C@@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587514804 KBCJRCKHKBIJPU-QHCPKHFHSA-N 379.456 4.164 0 1 GIAF COc1cc2c(cc1F)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587733839 OXAVCOZOWAFEPZ-DGIBIBHMSA-N 394.259 4.460 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccccc3OC2)N1 587836417 UMTBNAOUCUJZDK-BLVKFPJESA-N 376.269 4.343 0 1 GIAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(C(C)(C)C)c3[nH]2)cc1 586940850 HYYGBCIIKVYGOG-OUKQBFOZSA-N 383.517 4.259 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)F)c(OC(F)F)c1)O2 587383526 SOMYIWQZYDIWSK-AWEZNQCLSA-N 385.313 4.487 0 1 GIAF COc1ccccc1Nc1ccccc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587241181 WZCJMGLCXKHSMU-UHFFFAOYSA-N 393.468 4.386 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)O)cs2)N1 587846506 HYRIAEIICANNCK-ZKANADHPSA-N 384.270 4.146 0 1 GIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587558124 QFWYULGBBLGUIF-UGKGYDQZSA-N 380.371 4.417 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncn1Cc1ccccc1 587577450 NWBFFYNOLXYMNL-ZJSXRUAMSA-N 398.418 4.340 0 1 GIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587932846 ZUYSLNWAASHVPI-ABKXIKBNSA-N 382.773 4.431 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(Br)ccc(F)c31)O2 587387288 QCHJFYLPKIIGIW-SFHVURJKSA-N 376.225 4.286 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Cl)s2)N1 587851190 BEWIAQUOSXNINZ-UOWDBTKRSA-N 375.694 4.496 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc3ccccc3n2C)N1 587758092 PJADKKPZKFNBER-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(C(F)(F)F)cccc12 587508362 OQYPZSHESDSXJK-HXUWFJFHSA-N 387.357 4.397 0 1 GIAF CC(=O)c1c(C)[nH]c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587587789 HVJSKEDTCZYVKF-WMZHIEFXSA-N 391.423 4.417 0 1 GIAF Cc1ccc(-c2nc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cs2)o1 587015727 AFCJKIGBLDHRPU-UHFFFAOYSA-N 380.473 4.087 0 1 GIAF O=C1C[C@H](C2(CN3CCOCC3)CCCCC2)Oc2c1ccc1c2CCCC1 587518324 FOWBDBADJULFQE-JOCHJYFZSA-N 383.532 4.182 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)O)cc2)N1 587820339 BETOXHAEAZIETR-XTZNXHDOSA-N 378.241 4.084 0 1 GIAF Nc1ncnc2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc12 586998705 NVUBQAFINLAQGJ-VURMDHGXSA-N 382.221 4.128 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)OCC)Oc3ccccc31)CC2=O 587481263 APCKZVBVSDWXSM-HSZRJFAPSA-N 394.423 4.045 0 1 GIAF CSc1ccc([C@]2(C(C)C)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963226331 LKPHNHDOEXDMBN-GMAHTHKFSA-N 392.524 4.455 0 1 GIAF O=C(O)c1cccc2c1CCN[C@@]21C[C@H](c2ccccc2)Oc2ccc(O)cc21 963120218 FIBWAPRMBFFLDM-VWNXMTODSA-N 387.435 4.004 0 1 GIAF C[C@@H]1Cc2ccc(Cl)cc2[C@]12N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962730165 MCXWALPNURFVSS-RDBACFOTSA-N 379.809 4.422 0 1 GIAF CCCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3CC[C@]2(C)C1=O 5783582 IDRPPAXCLPSHQJ-XARGGIHNSA-N 397.515 4.233 0 1 GIAF CC[C@@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@H]1c1cccnc1 169343416 GZNSIDWQTBBAKS-HZMBPMFUSA-N 380.227 4.206 0 1 GIAF C[C@H](c1ccc(F)c(OC(F)(F)F)c1)N1C(=O)CSc2ncsc21 169348920 HSHNHQXVNDWYCU-SSDOTTSWSA-N 378.372 4.381 0 1 GIAF NC(=S)c1cccc(-c2cn(C[C@H](CF)C(F)F)c3cc(N)ccc23)c1 1857613781 UYYPZDYWRPWDKQ-ZDUSSCGKSA-N 377.435 4.376 0 1 GIAF O=C(Nc1ccccc1)N1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc21 834949 XCLMQZRJDXYFAC-UHFFFAOYSA-N 398.426 4.352 0 1 GIAF C[C@H](CCC(=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@@]21C 2557382 DGABKXLVXPYZII-KBAVYMPCSA-N 392.580 4.478 0 1 GIAF Cc1c(CN(N=O)c2ccc(Cl)c(Cl)c2)ccc2nc(N)nc(N)c12 4772228 XWUYLZPZGCTEFB-UHFFFAOYSA-N 377.235 4.097 0 1 GIAF CC(C)[C@H]1C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N(C)[C@H](C(C)C)C(=O)N1 100084436 LWHPZOYAMURLFL-DJTUWZQVSA-N 386.536 4.041 0 1 GIAF CC(C)Oc1cc(N2CCOCC2)nc2c(-c3cc4ccccc4[nH]3)nccc12 1911575090 IVSRLDKMCBPOCX-UHFFFAOYSA-N 388.471 4.402 0 1 GIAF CO/C=C(/C(=O)OC)c1ccccc1COc1ccc2oc(=O)c(C)c(C)c2c1 103187097 IBIVFDBHFHXRBS-DEDYPNTBSA-N 394.423 4.149 0 1 GIAF CCN(CC)c1cc2[nH]c(C3CCCCC3)nc2cc1NC(=O)c1cnccn1 103255824 VLNBALVQHZPPEB-UHFFFAOYSA-N 392.507 4.499 0 1 GIAF COc1cccc(NC(=O)[C@@]2(C)CCN2Cc2ccc(OC)c3ccccc23)c1 61898293 UCTWSOBXMNCCBS-XMMPIXPASA-N 390.483 4.460 0 3 GIAF Cc1cnc(Oc2ccc(-n3ccnc3)cc2)nc1Oc1ccc2c(c1)OCO2 28709527 WUDOWDUJLISJRD-UHFFFAOYSA-N 388.383 4.284 0 1 GIAF CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc(Cl)c1 26577248 YFOFVZPUHCDYSB-SXWSKBOKSA-N 382.869 4.405 0 1 GIAF Cc1oc(-c2csc([C@@H](NC(=O)CC3=CCCC3)C(C)C)n2)nc1C(=O)O 28530478 YUAKCPAXSCIUMF-HNNXBMFYSA-N 389.477 4.118 0 1 GIAF CCOc1cc2c(cc1O)CCN1Cc3cc(OCC)c(OCC)cc3C=C21 2356867779 WVZIJKASTRITFU-UHFFFAOYSA-N 381.472 4.458 0 1 GIAF CCn1ccc2cc([C@H](OC(C)=O)c3cc(OC)c(OC)c(OC)c3)ccc21 42888557 MEMRSTRQTHEYNQ-NRFANRHFSA-N 383.444 4.340 0 1 GIAF O=C(/C=C1\C[C@@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21)Nc1ccccc1 40488534 HLHLASMGVJKRCF-VSGCLNPGSA-N 377.227 4.284 0 1 GIAF c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@H](C4CCNCC4)N3)n2)cc1 84672112 RAJFOGCRMAERDF-GGAORHGYSA-N 397.526 4.486 0 1 GIAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3c(F)cccc3Cl)CC2)c1 198406628 SKTFCFZEAVZSOA-UHFFFAOYSA-N 392.931 4.006 0 1 GIAF O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1 95565182 LOOUEKVMIGTYLG-UHFFFAOYSA-N 391.233 4.047 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4C=C(O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C 253634254 LNBRDPIYZGBLLR-PWTIZUJYSA-N 384.564 4.466 0 1 GIAF Cc1nc(C)c(-c2ccc3c(c2)CCCN3C(=O)c2ccc(O)cc2O)s1 653606719 PRCTUAYWNHMKTR-UHFFFAOYSA-N 380.469 4.431 0 1 GIAF CC[C@H](Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)O 653797747 FQJBOLIIHNNOAV-CQSZACIVSA-N 379.378 4.289 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(c1ccccc1)CC2 587580822 DTSOPYCLKSLITA-OAQYLSRUSA-N 387.435 4.393 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cn2cccn2)c1 587583157 UBCNGLKAVCDQHW-URXFXBBRSA-N 398.418 4.340 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586888984 ZGKKVRQIXMDJGS-VLIAUNLRSA-N 397.272 4.484 0 1 GIAF FC(F)COc1cccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)n1 587122359 DQWVFVOYNNMILM-UHFFFAOYSA-N 389.587 4.080 0 1 GIAF O=S(=O)(c1ncccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 587127569 XLJKKSWHZGWRSG-UHFFFAOYSA-N 396.177 4.225 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccccc1OC(F)F 587870504 ATTRDPOYXPKBEW-UHFFFAOYSA-N 376.334 4.378 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2ccnc2)cc1 587576016 HMVPTDYBDUFFLX-URXFXBBRSA-N 398.418 4.340 0 1 GIAF Cc1ccc(C)c2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc12 587183927 LPBBRCUKFCWVRV-AWEZNQCLSA-N 391.256 4.027 0 1 GIAF Cc1cccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587170312 QTTWVWDBZZBVDY-HXUWFJFHSA-N 395.459 4.078 0 1 GIAF COC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587828209 MUNDNWBFNLPCGO-YYSFKGJASA-N 396.256 4.074 0 1 GIAF Oc1cccc([C@@H](O)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 586889913 IHZDLACRNSDNIA-CYBMUJFWSA-N 387.155 4.132 0 1 GIAF FC(F)(F)OCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587125740 STDRDCIDMSGPDF-UHFFFAOYSA-N 379.054 4.260 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12COc1ccc(Cl)cc1C2 587551573 HEPHZLQWQIFNCR-DENIHFKCSA-N 394.810 4.381 0 1 GIAF O=S(=O)(c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1)C(F)(F)F 587149620 NWTVSBWGBZALMR-KXFIGUGUSA-N 388.317 4.305 0 1 GIAF CC[C@]1(Cc2nc3c(Br)ccnc3[nH]2)CC(=O)c2ccccc2C1 587960047 KBJWFCZZZDULEL-LJQANCHMSA-N 384.277 4.488 0 1 GIAF CCOCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587589843 AWMWILBJEVDHKP-OFNKIYASSA-N 392.407 4.468 0 1 GIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(F)c(F)c(F)c(F)c4[nH]1)(C3)C2 587950940 PCLUMMHGKXDNRX-RNCDBBPUSA-N 382.357 4.273 0 1 GIAF COc1ccc2c(c1)[C@](C)(c1cc(Br)ncc1F)N[C@H]1CC[C@H]21 962995406 NGMNRKVWWCZWJE-PZPSRYQVSA-N 377.257 4.105 0 1 GIAF Cc1ccc([C@@]2(c3ccc(C)c(C)c3)N[C@H](C(=O)O)Cc3cccc(F)c32)cn1 962922234 PIOYJUWVWIIZNZ-XUZZJYLKSA-N 390.458 4.037 0 1 GIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2nc(-c3ccc(Cl)cc3)cs2)N1 962924593 UCSPKKRSNOVPIM-RDJZCZTQSA-N 388.851 4.291 0 1 GIAF CCOC(=O)CC[C@@]1(c2ccccc2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962572760 QIUPNRMKFAXTRH-MZNJEOGPSA-N 397.515 4.167 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@](c2ccccc2)(C(F)(F)Cl)N1)C(F)(F)F 962731416 RNVYHZJUSFOEIN-GOEBONIOSA-N 389.751 4.408 0 1 GIAF CCOc1ccccc1NC(=O)Nc1ccc2cncc(Br)c2n1 5845548 FEQQGZUUHSOYSD-UHFFFAOYSA-N 387.237 4.435 0 1 GIAF Cc1cc2nc(C3CCN(C(=S)NCCCOC(C)C)CC3)[nH]c2cc1C 13598925 QNLZUKURCHYWSB-UHFFFAOYSA-N 388.581 4.049 0 3 GIAF CC[C@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@H]1c1cccnc1 169343417 GZNSIDWQTBBAKS-YGRLFVJLSA-N 380.227 4.206 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cc2cc(F)ccc2n1C 167063109 DYSDXWPNOMDVOS-LIRRHRJNSA-N 396.462 4.444 0 1 GIAF Cn1[nH]c(=N[C@H](CN)c2ccccc2)c2cc(-c3ccccc3Cl)ccc21 1857533738 XZDILHZITONSPY-HXUWFJFHSA-N 376.891 4.428 0 1 GIAF Clc1cccc(C[C@@]2(COc3ccc(Br)nc3)CCCNC2)c1 1857591007 UGXLZBZHGUNUKY-SFHVURJKSA-N 395.728 4.489 0 1 GIAF Cc1ccc2c(c1)C(=O)[C@]1(O)CCN(c3ccc(OCc4ccccc4)cc3)C1=N2 1857746078 IZLDDRGUOIQIBL-RUZDIDTESA-N 398.462 4.442 0 1 GIAF O=C(N=S(NC(=O)c1ccccc1)C(Cl)(Cl)Cl)c1ccccc1 6514600 PRXZNQAZBSDMHG-UHFFFAOYSA-N 389.691 4.301 0 1 GIAF O=C1O[C@H](CN2C=CN3CCCCC[C@@H]32)CC1(c1ccccc1)c1ccccc1 101326459 OJMXVAUEGJBCIM-GOTSBHOMSA-N 388.511 4.277 0 1 GIAF Oc1ccccc1-n1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)nn1 103258546 PAOZIKUWDONTPI-UHFFFAOYSA-N 399.385 4.496 0 1 GIAF COC(=O)c1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1=C(O)CC(C)(C)CC1=N2 102383466 SMWGNOBSKVAVGV-HNNXBMFYSA-N 386.839 4.026 0 1 GIAF aggregator CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2OCC(F)(F)F)cc1 29467328 OPYQRHRKRPFJGD-UHFFFAOYSA-N 399.312 4.112 0 1 GIAF CC1=C[C@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 2356745920 DWQWUJJSBZGDQV-VWPQPMDRSA-N 397.563 4.115 0 1 GIAF C[C@]1(CCOC(=O)c2ccco2)Cc2ccccc2CN1C(=O)c1ccco1 72180341 WNBRUQSJIBKMDI-QFIPXVFZSA-N 379.412 4.077 0 1 GIAF O=C1c2cc(N3CCOCC3)ccc2N[C@@H](Cc2ccccc2)N1c1ccccc1 72113533 SFSSRJPKWHRSFA-XMMPIXPASA-N 399.494 4.164 0 1 GIAF COc1cccc(CNc2nc(NCC(C)C)c3cc(OC)c(OC)cc3n2)c1 82127998 ZGNCQAOCSPCZGM-UHFFFAOYSA-N 396.491 4.336 0 1 GIAF CCCC(=O)NCCc1cc(-c2cccc(CO)c2)cc2ccc(OC)cc12 40916916 ABRICCKMWDDVJT-UHFFFAOYSA-N 377.484 4.467 0 1 GIAF in-vitro CCN(CC)C(=O)c1ccc([C@H]2CC3(CCNCC3)Oc3ccccc32)cc1 43018463 YHEWTLLIVPRLRS-OAQYLSRUSA-N 378.516 4.205 0 1 GIAF Cc1ccc(NC(=O)c2cccc(N3CCN(c4ccncc4)CC3)c2)cc1F 45210073 KJUJCHGPGIPGAX-UHFFFAOYSA-N 390.462 4.108 0 1 GIAF CNC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2)cn1 473133706 BOVUIWPJPWHRHQ-UHFFFAOYSA-N 382.370 4.030 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](C(=O)c1ccccc1Br)CC2=O 587457338 XRZCKOWTPVBCEP-QGZVFWFLSA-N 389.245 4.324 0 1 GIAF COc1cc2c3c(c1)OC1(C[C@@H]4CC[C@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O 587437018 XDEMCNWSWVAFAD-VHRLQUOJSA-N 375.468 4.008 0 1 GIAF COc1cc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 587775050 YIMFTLQFCPTNSS-DIFFPNOSSA-N 379.273 4.200 0 1 GIAF C[C@H](O)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371681 COVZZLTWVBZRDS-VTOVKPRRSA-N 384.428 4.228 0 1 GIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1 587786935 TYGFIXHOSNPWBO-NEPJUHHUSA-N 389.224 4.408 0 1 GIAF C[C@]1(c2cccc(CO)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352724 LYFJMYCQPKRTQL-JTHBVZDNSA-N 378.399 4.298 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2=COCC2)(C(F)(F)F)N1 587709336 LBSXKHLJSBIUEG-CLAHSXSESA-N 380.179 4.184 0 1 GIAF C[C@]1(c2ccccc2-n2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580902 JROGEMDPQFFRIG-ZJSXRUAMSA-N 398.418 4.455 0 1 GIAF O=C(Nc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655633 BYTZOKRSDMVPIX-UHFFFAOYSA-N 377.350 4.422 0 1 GIAF Cc1cc(Br)c2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2c1 587177624 QZTOJHSRECRWAA-UHFFFAOYSA-N 375.245 4.435 0 1 GIAF CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](F)C1 587510887 YVDZIWGLPASRAL-XMSQKQJNSA-N 389.467 4.248 0 1 GIAF CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587801314 JTUWSJFOXMAGSZ-MLCYQJTMSA-N 380.257 4.316 0 1 GIAF Cc1c(Cl)ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 586955668 KSWKZDQWOAZVIR-UHFFFAOYSA-N 396.299 4.240 0 1 GIAF COc1ncc(C)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587766392 GBVJYUGFIBMIMV-VOJFVSQTSA-N 379.273 4.098 0 1 GIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587601016 PWIPAQNTZVSHAD-UGKGYDQZSA-N 378.380 4.112 0 1 GIAF CC(C)[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587702038 DGESJJWTKUSFGY-RFAUZJTJSA-N 396.222 4.495 0 1 GIAF CCOC(=O)C[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352297 WUEZXRFLKGZHME-GGAORHGYSA-N 398.430 4.382 0 1 GIAF CO[C@@H]1[C@H](C)[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C12CCC2 587354020 MHCSZFOUSLWTMB-KKNBWQJFSA-N 382.431 4.464 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586888643 WYDQATXYVAVDJQ-IFXJQAMLSA-N 383.245 4.395 0 1 GIAF COc1cc(-c2nc3cc4ccccc4cc3[nH]2)ccc1OCC(=O)NC(C)C 587227119 ZHOBYCOAZKRETD-UHFFFAOYSA-N 389.455 4.295 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccccc1[C@H](C)c1cnc[nH]1 963071148 WUAMKFQKMDWKTF-IZHWHUGBSA-N 384.483 4.353 0 1 GIAF CN1C(=O)C[C@H]2CN[C@@](C)(Cc3ccc(OC(F)(F)F)cc3)c3cccc1c32 963038762 ZVDAUODZORTJDB-XOBRGWDASA-N 390.405 4.096 0 1 GIAF O=C(O)CCCCCC[C@@]1(c2cccc(F)c2)NCCc2nc3ccccn3c21 962987155 UTJIVNAUJAVWBR-QHCPKHFHSA-N 395.478 4.288 0 1 GIAF COc1ccc2c([C@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)c(O)[nH]c2c1 962714422 OOOCEBFEOVPYLG-YEJXKQKISA-N 398.503 4.474 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@@]3([C@@H]1CCCCCC1=O)C(F)(F)F 963059421 RETDJJRQHFRSKT-FOIQADDNSA-N 392.421 4.296 0 1 GIAF Cn1cc(CN2CCC([C@H](O)c3cccs3)CC2)c(-c2ccccc2F)n1 11954681 NFMACMBOKQJQBF-NRFANRHFSA-N 385.508 4.233 0 3 GIAF COc1ccc(COc2ccc3cc(OC)cc(N[C@@H](C)CCCN)c3n2)cc1 169327342 UVBGASIAKRQIPW-INIZCTEOSA-N 395.503 4.370 0 1 GIAF O=C(O)CCCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1 204883127 HFOFVSOVDSIJPA-UHFFFAOYSA-N 391.876 4.329 0 1 GIAF c1cc(N2CCCCC2)nc(Nc2ccc(OCCCN3CCCCC3)cc2)n1 1857546669 RYTKNDCIBSFZNW-UHFFFAOYSA-N 395.551 4.465 0 1 GIAF O=c1cc(Sc2cccc(-c3cccc(C(F)(F)F)c3)c2)nc(O)n1O 1857649675 RIWAYCOKVVTLCF-UHFFFAOYSA-N 380.347 4.023 0 1 GIAF CN(C)c1ccc(-c2nc3ccccc3c(=O)n2CCc2ccc(O)cc2)cc1 1857653373 SDPJSLOUOOHIBB-UHFFFAOYSA-N 385.467 4.078 0 1 GIAF C[C@@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4051512 GYYGGNFFYYLXPU-MMACOIQUSA-N 378.403 4.388 0 1 GIAF O=c1c(-c2cc(F)ccc2F)cccn1[C@H](CN1CCCC1)c1ccccc1 13436686 XFMLKAFLDRDBOZ-JOCHJYFZSA-N 380.438 4.479 0 1 GIAF CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(Cl)s2)c2ccccc12 28525792 LAQSHBWWRPPHMF-AWEZNQCLSA-N 394.949 4.230 0 1 GIAF COc1cc(C(=O)c2sc(-c3cccs3)cc2N)cc(OC)c1OC 35065303 LPKBPYZEDURBHU-UHFFFAOYSA-N 375.471 4.316 0 1 GIAF Cc1cccc(CN(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2ccccc2Cl)c1 40412470 CTMCXHLPHYERMD-PKOBYXMFSA-N 386.923 4.197 0 1 GIAF CNCCNCc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)cc1 45191869 ACQCKZMFWYPBNC-UHFFFAOYSA-N 380.492 4.407 0 1 GIAF COc1cc2c(=O)c(OC)c(-c3ccc(O)cc3)oc2c2c1OC(C)(C)C=C2 59762527 LBQMBIWFYFFSFY-UHFFFAOYSA-N 380.396 4.367 0 1 GIAF biogenic C[C@@H]1CCCCN1CCCNCc1coc(-c2ccccc2Br)n1 72180800 AXPBODSXYXUPSU-OAHLLOKOSA-N 392.341 4.458 0 1 GIAF CC(C)Nc1cc(-c2csc(N(C)C(=O)c3ccc(Cl)cc3)n2)ncn1 95577976 RZWIAMDYZKVZRN-UHFFFAOYSA-N 387.896 4.350 0 1 GIAF O=C(N[C@H]1CCC[C@H](NC(=O)c2cccc(Cl)c2)C1)c1cccc(Cl)c1 95585970 HWGZRRMCVQFHPS-ROUUACIJSA-N 391.298 4.464 0 1 GIAF Cc1ccnc(Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)c1 114346604 GCDUDPJGGBFYHV-OAHLLOKOSA-N 398.470 4.349 0 1 GIAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1OC1CCCCC1 143163400 DITZNZYXKSFLJE-UHFFFAOYSA-N 380.366 4.358 0 1 GIAF Clc1cccc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1 144307040 UPULHQVNRYZXNT-UHFFFAOYSA-N 393.922 4.180 0 1 GIAF O=C(CCCN1CC[C@H]2c3cccc4c3N(CCO4)[C@H]2CC1)c1ccc(F)cc1 145748168 XCUDOUJECKZVAJ-FPOVZHCZSA-N 394.490 4.249 0 1 GIAF COc1cncc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587000093 FNBZGHXYXKEISJ-UHFFFAOYSA-N 384.233 4.461 0 1 GIAF COC(=O)c1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587017941 UGQNGMCQZYUGMA-UHFFFAOYSA-N 377.425 4.075 0 1 GIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587112210 DMGFXPQKGYIDCQ-LLVKDONJSA-N 382.407 4.331 0 1 GIAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(C)ccc2[nH]1 587180653 JDNAEFXVURLWDJ-JTQLQIEISA-N 380.233 4.310 0 1 GIAF COC(=O)c1ccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2n1 587240918 KQZFRSJUOLZVEJ-UHFFFAOYSA-N 387.443 4.354 0 1 GIAF CC(C)(C)c1nc2nc(O)nc(O)c2cc1Cc1cccc(Br)c1 587366158 KRFPPNCFYUUSKN-UHFFFAOYSA-N 388.265 4.087 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)cc(I)c1)O2 587386301 JECIWTCZFBORND-HNNXBMFYSA-N 397.187 4.027 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)OC)(c1ccc(F)cc1)CC2=O 587469438 ZTSIQQFRYGUYPV-JOCHJYFZSA-N 386.419 4.298 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CC[C@@]1(C)C(=O)OC 587477121 FCHGNFXEAQBYNV-ZEQRLZLVSA-N 394.467 4.331 0 1 GIAF COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587528006 WCEOCPZYSKETEI-NRFANRHFSA-N 375.424 4.122 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccco2)nc1 587589893 YMMGLDCXJATBSU-RXVVDRJESA-N 386.363 4.145 0 1 GIAF O=C(O)CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601378 DABZTYQLYOUOCW-NZQKXSOJSA-N 390.391 4.112 0 1 GIAF CC[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608036 JBJDADJNEJOIDN-OFNKIYASSA-N 390.391 4.388 0 1 GIAF Cc1cc(OCCc2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)ccc1Cl 587649226 MOXXKZHKVUNDCK-UHFFFAOYSA-N 377.893 4.463 0 1 GIAF Cc1ccn2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c(C)nc2c1 587776036 VSYXQWZDMCRHCG-ZMZPIMSZSA-N 388.284 4.476 0 1 GIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)cnc2[nH]1 587926557 IPAYPOANPWBUNH-GFCCVEGCSA-N 376.254 4.280 0 1 GIAF Nc1nccn2c(-c3cccc(NC(=O)Nc4cccc(Cl)c4)c3)cnc12 653687495 XIBCLNACPPRNEH-UHFFFAOYSA-N 378.823 4.276 0 1 GIAF C[C@@]1(c2ccsc2C(=O)O)c2cccc(F)c2CCN1[C@H]1CCSC1 962722127 YVKPHAXJLOFHQN-BUXKBTBVSA-N 377.506 4.213 0 1 GIAF CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](OC(=O)/C=C/c1ccc(O)cc1)C=C1CO[C@@H](O)[C@@H]12 1857574496 LOUSEAQLVXGKPV-FJMNHKHJSA-N 398.499 4.055 0 1 GIAF CCC(CC)(c1ccc(Cl)cc1)c1cnc2c(NS(C)(=O)=O)cccn12 1857609889 XWIAXIZHACLGGL-UHFFFAOYSA-N 391.924 4.465 0 1 GIAF Nc1c(-c2nc(-c3cccs3)no2)nnn1-c1cccc(-c2ccccc2)c1 1857655285 GSCCOQLLOMIBFJ-UHFFFAOYSA-N 386.440 4.295 0 1 GIAF C[C@H](c1ccc(C(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1)N1CCCCC1 1911573298 NEWWQZFJOURPLY-WIYYLYMNSA-N 386.536 4.039 0 1 GIAF CC(=CCC[C@]1(C)Oc2c(C=O)c(C)cc(O)c2C[C@@H]1O)CCCC(C)(C)O 2356325424 XNGJIAMDQGOCBU-REWPJTCUSA-N 390.520 4.235 0 1 GIAF COc1cc(F)ccc1-c1csc([C@@H](NC(C)=O)c2ccc(F)c(F)c2)n1 61905975 RTBSJCKFEGPLMR-SFHVURJKSA-N 392.402 4.462 0 3 GIAF C1CCCn2c(nnc2C23CCC(c4nc(CC5CC5)no4)(CC2)CC3)CC1 6717985 BXRXOYXFCQSGFT-UHFFFAOYSA-N 381.524 4.274 0 1 GIAF O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CNC1CCCCC1 13529302 TUMXELFPWCWNDA-NRFANRHFSA-N 381.516 4.164 0 1 GIAF COc1ccc([C@H]2[C@@H]([C@H](O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 26144481 JBUUXMRKJQWOHR-SMIHKQSGSA-N 387.479 4.393 0 1 GIAF CC(=O)c1cccc(NC(=O)NCCC[C@H]2C[C@H](Cc3ccccc3)CCN2)c1 33987516 CVHOPXZORYBSMH-UNMCSNQZSA-N 393.531 4.402 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@H]4[C@H]3CC[C@@H]12 34801200 RIGMJQYSJWLGJZ-PPJLCPOLSA-N 386.580 4.157 0 1 GIAF COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)oc(=O)n3C)cc1 58581450 XAXSEOKNXMOLKL-UHFFFAOYSA-N 389.333 4.012 0 1 GIAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 82143062 QJKPIBUVNMKWBA-UHFFFAOYSA-N 384.524 4.481 0 1 GIAF CCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(F)cc1 82214902 OGUSQXPLPLYRMH-HOTGVXAUSA-N 384.499 4.295 0 1 GIAF COc1ccc(-c2cc(O)nc(SCC(=O)c3ccc(Cl)cc3)n2)cc1 102334951 PPUNVIJGDMPXQU-UHFFFAOYSA-N 386.860 4.486 0 1 GIAF Cc1ccc(Nc2ccc(F)c([C@@]3(C)N=C(N)COC(C)(C)C3(F)F)c2)cn1 169702905 JRBMREFVXABBQM-LJQANCHMSA-N 392.425 4.289 0 1 GIAF COC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CC(=O)O[C@@]1(C)c1ccccc1 299831099 IVBPCTDJOHHDRE-VQTJNVASSA-N 392.373 4.270 0 1 GIAF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 586962934 CMLZSACLYLXLMJ-UHFFFAOYSA-N 397.891 4.348 0 1 GIAF Fc1cc2[nH]c(-c3ccnc(Br)c3Cl)nc2cc1-n1cccn1 587005910 ZFVZIFGDXJKISD-UHFFFAOYSA-N 392.619 4.366 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cncc(Br)c2[nH]1 587079265 IFIGBCYWCVMOIW-LBPRGKRZSA-N 390.672 4.098 0 1 GIAF Cc1ccc(-c2cc(-c3nc4c(N)ncnc4[nH]3)c3cccc(Cl)c3n2)o1 587082740 DRPWNFVGUUDLKQ-UHFFFAOYSA-N 376.807 4.372 0 1 GIAF COC(=O)c1cc2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc2cc1OC 587134194 KFWXJELUDKAISK-ARJAWSKDSA-N 398.287 4.224 0 1 GIAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3nc(Br)c[nH]c-3n2)cc1 587158515 NMQMKHGZMTWWSY-UHFFFAOYSA-N 397.207 4.353 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)cnn1CC)CC2=O 587458280 RGERTUGLUIWFKV-OAHLLOKOSA-N 379.254 4.030 0 1 GIAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(NC(=O)OCc2ccccc2)C1 587472231 ZTBDYHRSNAIQTQ-UHFFFAOYSA-N 395.455 4.138 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(OC)cc(OC)c31)CC2=O 587481102 ADBLWODJVJHXGJ-QFIPXVFZSA-N 384.428 4.005 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(OCC(=O)O)cc1)CC2=O 587484691 UFTWAFQGYKRKNX-QFIPXVFZSA-N 384.428 4.079 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1cc(F)cc(F)c12 587567458 CUKAAZVTZBYNCY-UGKGYDQZSA-N 396.345 4.310 0 1 GIAF C[C@@]1(c2csc(C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610260 BIWYHPHWFZJNRO-UZLBHIALSA-N 382.393 4.029 0 1 GIAF Cc1nc2sccn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616070 AWZKBWYPGFDIGP-DNVCBOLYSA-N 378.409 4.113 0 1 GIAF COC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650519 YVRXBCRCNDBRHC-UHFFFAOYSA-N 397.374 4.044 0 1 GIAF Cn1c(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc2ccccc21 587657319 UGSAZEGUGKDULB-UHFFFAOYSA-N 388.377 4.218 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2oc3cccnc3c2N)N1 587748154 VDYFKDAVWVIIEO-DYBLOJMWSA-N 390.256 4.109 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3C2CC2)N1 587764671 AQQPIVBAUSKPGR-OGFUWJSUSA-N 379.317 4.107 0 1 GIAF CC(C)N1C[C@@H]2CCC[C@@H](C1)C21N[C@@H](C)Cc2cc(Br)c(F)cc21 587771855 GKOBLGBXTPKUAE-BPUTZDHNSA-N 395.360 4.458 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(C)c(OCC)c3)[nH]c2c1 587779725 FQYVTBMCEMPMMN-UHFFFAOYSA-N 387.505 4.015 0 1 GIAF CCOC(=O)C1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CCCC1 587798049 NPDYMXYRJDZCFE-XIKOKIGWSA-N 398.316 4.461 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(CC(=O)O)cc2)N1 587828349 OWOWEPZNNZFTMM-NSPYISDASA-N 392.268 4.013 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C)(C)[C@H]1CC[C@@]2(C(=O)O)C1 587828622 UMPMTCGRRYXJTG-MEGNYISJSA-N 396.300 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2nccs2)N1 587853202 LLQLGKMAOMZLBR-MGPLVRAMSA-N 392.297 4.459 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cncc2ccccc12 587868115 UXBSDPMCCJOPCO-UHFFFAOYSA-N 398.344 4.209 0 1 GIAF Clc1ccccc1OC1CCN(c2nc3cnccc3nc2NC2CC2)CC1 653670659 MPMDHBQBUWTMJI-UHFFFAOYSA-N 395.894 4.300 0 1 GIAF COc1cccc([C@@]2(CC(=O)C(F)(F)Cl)NCCc3cc(C)c(F)cc32)c1 962143676 IJISZMPIPOJPJV-LJQANCHMSA-N 397.824 4.323 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(-c3ccsc3)o2)N1 963228117 NBSLHZFUOSRSDL-FXAWDEMLSA-N 376.437 4.245 0 1 GIAF CCCC[C@]1(c2ccc(Br)c(C)c2)c2c(cnn2C)CCN1C 963954182 HIISHKCKDCCNGH-IBGZPJMESA-N 376.342 4.413 0 1 GIAF COC(=O)[C@H]1CCC=C(C)CC[C@H]2C[C@@H](OC2(C)C)[C@H](C(=O)OC)CCC1 2356576043 LLKYJPRIUKKHDS-INDMIFKZSA-N 380.525 4.439 0 1 GIAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@]3(CCC[C@@H]3CNC3CCCCC3)[C@@H]1[C@H](O)C2 2356672740 WFTSAWYFMSRLIM-FJXYEAQPSA-N 375.597 4.407 0 1 GIAF Cc1nc(-c2cccs2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNCc2ccco2)n1 2356833982 KKRDVQJYAMFFAI-JENIJYKNSA-N 394.544 4.074 0 1 GIAF CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl 769259 BURFYDAJPFCHAP-NVXWUHKLSA-N 381.234 4.313 0 1 GIAF C[C@@H]1[C@H](NNc2ccccc2)Oc2cc3c(cc2[C@H]1c1ccccc1O)OCO3 1642706 BBXMIJIOSXULBG-NYDQNWGQSA-N 390.439 4.224 0 1 GIAF COc1cc(OC)c([C@H]2CC[C@@H]2c2cc(OC)c(OC)cc2OC)cc1OC 14635677 JSEZFCVVWRJUJW-KBPBESRZSA-N 388.460 4.399 0 1 GIAF biogenic Cc1noc2cc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)ccc12 14977232 OSVNFBIFFWEZCZ-INIZCTEOSA-N 381.428 4.489 0 1 GIAF C1=C(c2ccc(CCN3CCOCC3)cc2)[C@H]2CN(Cc3ccccc3)C[C@H]2C1 29128147 UNRGMCLRRBQICS-RSXGOPAZSA-N 388.555 4.097 0 1 GIAF O=C(CCCCCCc1ccccc1)c1ncc(C(=O)N2CCSCC2)o1 35259942 CHAKMANFUKPMIB-UHFFFAOYSA-N 386.517 4.240 0 1 GIAF O=C(O)c1cccc(-c2nnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1 40395064 YXJFBGPVHSKSJM-UHFFFAOYSA-N 399.406 4.312 0 1 GIAF CCN1CCN(c2ccc(NC(=O)c3ccc(F)c(F)c3)cc2Cl)CC1 49070105 HIFXMAOMJYCUPQ-UHFFFAOYSA-N 379.838 4.012 0 1 GIAF CCCc1nc2c(NCc3cccc(F)c3)ncnc2n1CCc1ccccn1 82196660 JCWJDKMAUFVLAZ-UHFFFAOYSA-N 390.466 4.168 0 1 GIAF C1=C(c2ccccc2)NC2=NC=C3N(c4ccccc4)N=C(c4ccccc4)N3[C@@H]12 102899576 SSYDDBTUFYJMFD-QFIPXVFZSA-N 389.462 4.394 0 1 GIAF COC(=O)N(OC)c1ccccc1COc1ccc2c(C)c(C)c(=O)oc2c1 103188372 FEDXREOGYZDKBY-UHFFFAOYSA-N 383.400 4.123 0 1 GIAF CCC[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccc(OC)cc4)oc3c2)[C@H]1C 168467116 XFNUQKCSQIPXRS-GUYCJALGSA-N 377.444 4.390 0 1 GIAF COC(=O)C[C@H]1[C@@H](Cc2ccccc2)C[C@H]2[C@H](Cc3ccccc3)C[C@H]1N2C 169312552 XXQUTIIQIQULCG-VHJOFQCFSA-N 377.528 4.360 0 1 GIAF COc1cccc(C(=O)[C@H]2C[C@@H]2CN(Cc2ccccn2)Cc2ccccn2)c1 230567548 NCMIHZULIWOPEH-XXBNENTESA-N 387.483 4.006 0 1 GIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2ccc(F)c(F)c2)n1 261151044 OYQYYSCDACSXIB-FQEVSTJZSA-N 396.393 4.281 0 1 GIAF CC[C@@H]1OCCC[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 586912855 PMNSDVQRKAEZJY-CBAPKCEASA-N 389.091 4.156 0 1 GIAF CC(C)CCOc1ccc(Br)cc1-c1nc2c(N)ccnc2[nH]1 586982406 VSSXGMJCBKFGMR-UHFFFAOYSA-N 375.270 4.395 0 1 GIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(F)c(F)c2[nH]1 586985251 SRMMPRCKJWLLKA-AWEZNQCLSA-N 394.219 4.024 0 1 GIAF Nc1ncnc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 586998704 NVUBQAFINLAQGJ-SOFGYWHQSA-N 382.221 4.128 0 1 GIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587070112 PTEWATIQTGPLAI-HNNXBMFYSA-N 397.906 4.425 0 1 GIAF Cn1ccnc1[C@]1(c2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506473 SXZAVHNYTFHNHI-HSZRJFAPSA-N 376.431 4.347 0 1 GIAF COc1ccc([C@@]2(CCN(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508468 WAXQXTVJEJBDRJ-XMMPIXPASA-N 379.500 4.386 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3nc(Cl)ccc32)N1 587701054 AEADFXLCACZHSL-HUTHGQBESA-N 396.691 4.230 0 1 GIAF CC(=O)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587733418 RERVINOTOJOCJK-MLCYQJTMSA-N 380.232 4.094 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H]1CC[C@]2(C)C1(C)C 587818300 PYMZQHKMOZORJX-QQHHZCALSA-N 380.301 4.343 0 1 GIAF Cn1cc(-c2ccc(Cc3n[nH]c4ccc(-c5cc(N)ccn5)cc34)cc2)cn1 653743789 UQRFZZAOVZWDSA-UHFFFAOYSA-N 380.455 4.198 0 1 GIAF Cc1cc(C)c(-n2cccn2)c([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962730074 LPDPDOHCQFWCNA-OALUTQOASA-N 399.416 4.224 0 1 GIAF CC(C)c1nn(C)c2c1[C@H](c1c[nH]nc1-c1ccc(Cl)cc1Cl)NCC2 962915189 GRMHRDFGXKBHGD-IBGZPJMESA-N 390.318 4.476 0 1 GIAF CC(C)c1nn(C)c2c1[C@@]1(C[C@H](c3cccc(O)c3)Oc3ccccc31)NCC2 962918968 OJCUGOPSQHMBEH-QPPBQGQZSA-N 389.499 4.162 0 1 GIAF CCOC(=O)Cc1ccc([C@]2(C)N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962962586 YBZZAEFRWXNQOV-UUOWRZLLSA-N 376.500 4.461 0 1 GIAF Nc1ncccc1[C@]1(c2cc(F)cc(F)c2)c2ccc(F)cc2C[C@H]2CCCN21 963117205 XUYZKAGUOOQGOI-XXBNENTESA-N 395.428 4.394 0 1 GIAF Cc1cc2c(cc1C)C(Cl)=C(COC[C@@H](O)CN1CCSCC1)CCC2 1772619242 JAZXKVNFABSGHM-IBGZPJMESA-N 395.996 4.016 0 1 GIAF COc1ccc(C(C)(C)C)cc1-c1cncc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772624788 QRAAMCGPCKJKEX-SFHVURJKSA-N 395.459 4.353 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C=CCC[C@]34C)[C@@]1(O)CC[C@@H]2c1ccc(=O)oc1 2356475573 IQRPHRMIXCXFEN-TYYBBMATSA-N 384.516 4.162 0 1 GIAF COC(=O)[C@@H]1CC[C@H]2[C@]3(CC[C@H]4C(C)(C)CCC[C@]42C)[C@@H](OC(C)=O)OC[C@H]13 2356478160 VAPHQACZBDNZOJ-INSFFQPXSA-N 392.536 4.334 0 1 GIAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O 2356512572 YHPFWEDUGHFFTA-AXLVHMBDSA-N 384.516 4.450 0 1 GIAF CC(C)C[C@H]1NC(=O)c2cc(Cl)ccc2-n2c1nc1ccc(F)cc1c2=O 61949349 CPCNKQYXBGCLKZ-MRXNPFEDSA-N 385.826 4.009 0 3 GIAF COc1c2c(cc3c1[C@H]1Oc4c(ccc(O)c4C=O)[C@@H]1CO3)OC(C)(C)C=C2 2356428013 UKDKDKJBFPHLLS-QKKBWIMNSA-N 380.396 4.007 0 1 GIAF O=c1cc(-c2nnc([C@@H]3CCc4cc(F)ccc4O3)o2)oc2ccc(F)cc12 1911586001 ISLHZOUHXQTLQQ-KRWDZBQOSA-N 382.322 4.188 0 1 GIAF C[C@@H]1CCC[C@H]2OC(C)(C)O[C@@H]2CCC=Cc2cc(O)cc(O)c2C(=O)O1 2356328677 YQBDPTQRQMXVTH-FSPWUOQZSA-N 376.449 4.141 0 1 GIAF COc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccccc2F)cc1 26745238 MGDIHVIGFHWUDK-UHFFFAOYSA-N 379.313 4.291 0 1 GIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc2cc(C(=O)O)c(=O)oc2c1 26574736 ZQHJSJICWHXAFG-UHFFFAOYSA-N 391.379 4.076 0 1 GIAF O=S(=O)(c1ccc(F)cc1)N1CC=C(CCc2ccc(F)cc2F)CC1 36270449 SMWLFHWQLUJVNG-UHFFFAOYSA-N 381.419 4.058 0 1 GIAF Cc1cc(C(N)=O)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 113657628 HNAHVCDJEMVGAX-UHFFFAOYSA-N 396.494 4.414 0 1 GIAF CN(C)Cc1cccc([C@H]2c3n[nH]c(=O)c4cccc(c34)N[C@H]2c2ccccc2)c1 118624525 JROUHZIBVBIHNE-GGAORHGYSA-N 396.494 4.283 0 1 GIAF C[C@H]1CCC[C@@]1(Oc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1)C(=O)O 27525325 HDYARACYWFANNM-FYSMJZIKSA-N 393.483 4.379 0 1 GIAF COC(=O)[C@]1(C)[C@@H](O)CC[C@]2(C)c3cc4c(cc3CC[C@H]21)[nH]c1ccccc14 64511781 QGSPVLSFRSZVTG-JSRBNTPPSA-N 377.484 4.475 0 1 GIAF CCOC(=O)[C@]1(C)CCCCCN1C(=O)c1ccc(OC)c(C(F)(F)F)c1 61902920 NEMQDSIHXMCJLN-SFHVURJKSA-N 387.398 4.052 0 3 GIAF Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc4ccccc4c3)CC2)nc1 64549296 CPRVJEKTQFCPFK-UHFFFAOYSA-N 391.490 4.277 0 1 GIAF CCCn1cc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1 73196894 MUDSFHMGAXMJTN-QGZVFWFLSA-N 379.426 4.407 0 1 GIAF NC(=O)c1cccc(-c2cnc([C@@H](O)CCCCCCc3ccccc3)o2)n1 36079976 LMNHLVODNPUVQB-IBGZPJMESA-N 379.460 4.062 0 1 GIAF CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1ccc3ccccc3c1)C2 36384250 GDUYDYWUXQDNSI-AZUAARDMSA-N 378.472 4.123 0 3 GIAF C=C1C(=O)C=CC(C)(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@@H]2OC(C)=O 14860867 WJPXJFRAAMMVGZ-NXNVCVFFSA-N 389.717 4.181 0 1 GIAF biogenic CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)N[C@H](CO)C(=O)O)C(C)(C)CCC1 40972970 LMAARKZBQFFVIV-JVJVOWOUSA-N 387.520 4.080 0 1 GIAF CCC[C@H](CCOC)Nc1nc(C)nc2c1cnn2-c1ccc(OC)cc1C 45255395 NCXZGUYASQOBTP-MRXNPFEDSA-N 383.496 4.058 0 1 GIAF CC(C)c1nc2ccccc2c(=O)n1NC(=O)Nc1ccc(C(F)(F)F)cc1 40641030 CAKSPJVUYRIYDZ-UHFFFAOYSA-N 390.365 4.314 0 1 GIAF COc1cc2c(cc1OCCN1CCCCC1)C(=O)[C@@H](Cc1ccccc1)C2 84713258 OFTNVZBGWRGEGC-FQEVSTJZSA-N 379.500 4.158 0 1 GIAF Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 82160091 AZSQKLAOGFPJGT-QZTJIDSGSA-N 378.520 4.170 0 1 GIAF COc1cc2nc(NCCCCCO)nc(NCCC(C)(C)C)c2cc1OC 82129094 DMUWENSONHNVKX-UHFFFAOYSA-N 390.528 4.070 0 1 GIAF CC(C)C(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1 141427890 XZXAKFKDVJGQRQ-UHFFFAOYSA-N 387.483 4.460 0 1 GIAF CC(=O)O[C@@H]1C/C(C)=C/CC[C@@H](C)CC(=O)CC2=C[C@@H](OC2=O)[C@@H]1C(C)C 96915199 QWGSYRKRZRCPAG-GVDRGFCXSA-N 376.493 4.158 0 1 GIAF COc1cc(-c2nc(-c3cnc4ccccc4c3)cnc2O)cc(OC)c1OC 299839196 RYGQNCTZNULCOL-UHFFFAOYSA-N 389.411 4.090 0 1 GIAF CCOc1cccc(Cc2c(OC(C)C)nn(-c3ncc(CC)cn3)c2C)c1 299870675 WRIUINIDNAWCSS-UHFFFAOYSA-N 380.492 4.310 0 1 GIAF COc1ccccc1C1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 653745679 GASWIWINIINKDW-UHFFFAOYSA-N 385.471 4.208 0 1 GIAF COC(=O)Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516986 YRZHIPIAAZVEGE-JOCHJYFZSA-N 389.451 4.400 0 1 GIAF FC(F)(F)c1nc2ccc(-c3nc4cc(Br)ncc4[nH]3)cc2[nH]1 587120455 JSGKXHCXIQOGHX-UHFFFAOYSA-N 382.143 4.283 0 1 GIAF N[C@@H](Cc1nc2c(F)cnc(Br)c2[nH]1)c1cccc2ccccc12 587258359 ISNXSQSFFNNNKQ-AWEZNQCLSA-N 385.240 4.255 0 1 GIAF CC(C)(C)OC(=O)N(Cc1nc2cnc3ccccc3c2[nH]1)C[C@H]1CCCO1 587197696 STMALIBLOSYUNB-CQSZACIVSA-N 382.464 4.027 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nnn(-c3ccc(Cl)cc3)c1C)O2 587380257 RVKPVOXQMBOGGE-FQEVSTJZSA-N 382.851 4.000 0 1 GIAF COC(=O)c1ccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2c1OC 587065874 BJQCLDDMBMWXCE-UHFFFAOYSA-N 388.851 4.332 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccncc1NC(=O)C(C)(C)C)CC2=O 587471573 UBYMHGPSQPGZFF-IBGZPJMESA-N 382.460 4.431 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](O)(C4)C3)[C@@H]1c1ccc(F)cc1 587356370 PBHVDUXDFNSTDL-YDGSXZHWSA-N 394.442 4.200 0 1 GIAF COc1ccc(C=O)c(-c2nc3c(C)c(Br)ccc3[nH]2)c1OC 587787171 QRCWXJXFKKQYLE-UHFFFAOYSA-N 375.222 4.131 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1SCCS[C@@H]12 587617845 LCXNGDCFKOLSDX-GIYDNNGJSA-N 386.494 4.104 0 1 GIAF CC(=O)Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602896 ZMFHCSVUVXOAHZ-SIKLNZKXSA-N 376.364 4.020 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(OC)c(OC)c1OC)CC2=O 587483257 WARLDBTYNSBIGI-QGZVFWFLSA-N 386.444 4.385 0 1 GIAF COC(=O)c1ccccc1-c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)o1 587414670 WWQZQIGXAPBPAK-FQEVSTJZSA-N 377.396 4.330 0 1 GIAF CS(=O)(=O)c1ccc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1F 962671648 UGYHWGYEGULIFZ-JOCHJYFZSA-N 381.472 4.131 0 1 GIAF Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2ccc(F)cc2)cc1 1772623578 HLORDHXETANDSK-UHFFFAOYSA-N 394.475 4.147 0 1 GIAF CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccccc3Cl)cc2c1C 1772625567 XFOFRKJTFPTFCE-UHFFFAOYSA-N 393.848 4.372 0 1 GIAF CN(C)CCn1ccc2c(NS(=O)(=O)c3ccc4ccccc4c3)cccc21 13611668 YBKHHHGMJZHICL-UHFFFAOYSA-N 393.512 4.157 0 1 GIAF O=CNc1cc(C(=O)O)cc(SCc2ccccc2)c1C(=O)c1ccccc1 169343314 UIOJEKIPQDZOTO-UHFFFAOYSA-N 391.448 4.476 0 1 GIAF CN1C(=O)CCc2ccc(NC(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)cc21 169704968 YSBCSCDCKFNRJN-AEFFLSMTSA-N 381.451 4.193 0 1 GIAF COc1ccccc1CN1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1 3955938 WDZUMGCNHURJPL-QHCPKHFHSA-N 380.488 4.182 0 1 GIAF COc1ccc(-c2oc3cc(OC)c(CC=C(C)C)c(O)c3c(=O)c2O)cc1O 14648325 VADQDPHFUHJWBE-UHFFFAOYSA-N 398.411 4.103 0 1 GIAF biogenic CCN(CC)C(=O)[C@H]1CCC[C@@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26399177 GYORZCSFWWIIFC-DNMTXPOLSA-N 388.596 4.382 0 1 GIAF Cc1cc(N)c2cc(NC(=O)/C=C/c3c(F)c(F)c(F)c(F)c3F)ccc2n1 26576380 IAXNPVMSIUFMHL-HWKANZROSA-N 393.315 4.473 0 1 GIAF C[C@]12C=CC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)Cc1ccccn1 35243321 QHOICUUVCMYCCQ-WFGFEZODSA-N 375.512 4.439 0 1 GIAF COc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1[C@@]21OC(=O)c2ccccc21 40567282 ZCBFBAGBQZGXDE-QHCPKHFHSA-N 388.375 4.189 0 1 GIAF COC(=O)C1=CCCN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64454117 FAXDKDSDNWXAIS-BVAGGSTKSA-N 387.523 4.429 0 1 GIAF COc1cc(C(=O)c2csc(Nc3ccc(F)cc3)n2)cc(OC)c1OC 72114955 FJPUDKYDNBZBMV-UHFFFAOYSA-N 388.420 4.283 0 1 GIAF in-vivo Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1C[C@@H](O)CN1C(=O)c1nccs1 72176836 XNSZTLNSVWTRSI-QAPCUYQASA-N 399.903 4.115 0 1 GIAF NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3[C@H]2CCCc3ccccc32)c1 101366418 YLGCOVVLUSGKGA-QRICJDHISA-N 376.500 4.237 0 1 GIAF C[C@H](C(=O)Oc1ccc(C(N)=S)cc1)c1ccc(C(=O)c2ccccc2)cc1 149207197 XFMSCDWKFKBOJS-HNNXBMFYSA-N 389.476 4.261 0 1 GIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C 169724663 DEAVUWHJOWDMKM-GMCMAKEUSA-N 384.564 4.030 0 1 GIAF Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cn12 223400517 WFPDMXVDRXWKMF-UHFFFAOYSA-N 389.430 4.389 0 1 GIAF Cc1cc(-c2cnn3c2C(=O)N(c2ccc(C(F)(F)F)cc2)C[C@@H]3C)ccn1 299858439 GOYOLHWWQMGLGG-ZDUSSCGKSA-N 386.377 4.494 0 1 GIAF COc1ccc(NC(=O)NC2CCN(c3cc(C)nc4ccccc34)CC2)cc1 299865797 OCTMBINVCADVPR-UHFFFAOYSA-N 390.487 4.342 0 1 GIAF COc1ccc([C@@H](O)Cn2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1 473090088 VBWKAQCFEFJORZ-QHCPKHFHSA-N 387.483 4.021 0 1 GIAF Cc1cc(Br)c2[nH]c(CSc3ncccc3C(=O)O)nc2c1 586966982 OHRPHZMTIDZUPB-UHFFFAOYSA-N 378.251 4.019 0 1 GIAF O=C1CCc2cc3nc(-c4cc5ccc(Br)cn5c4)[nH]c3cc2N1 587006018 FITONDAHLSUGSE-UHFFFAOYSA-N 381.233 4.130 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029629 RUZCSYDCXLZFKA-UHFFFAOYSA-N 399.497 4.059 0 1 GIAF CCOC(=O)c1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587075534 DPSOOZQURYUKNW-UHFFFAOYSA-N 396.834 4.228 0 1 GIAF FC(F)(F)c1nn(CCc2nc3cccc(Cl)c3[nH]2)cc1Br 587119540 XVIWXHRUFLCDEW-UHFFFAOYSA-N 393.594 4.437 0 1 GIAF COc1cc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2cn1 587127967 CTKOKKNKTFBUOP-RXMQYKEDSA-N 377.729 4.301 0 1 GIAF N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(Cl)cc2[nH]1 587184776 WAKHHSPKJBLSAV-LBPRGKRZSA-N 397.647 4.063 0 1 GIAF O=C(c1cc(F)cc(Cl)c1)c1c(CO)oc2cc(Br)cnc12 587275903 HHAPYOCWICGKSB-UHFFFAOYSA-N 384.588 4.106 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 587356595 KGPGBVBIWSTEMR-GGAORHGYSA-N 392.382 4.274 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@H]1CCC[C@@H](C(=O)O)C1)O2 587383248 AASGQYXIODNESO-WREIHNQOSA-N 397.446 4.468 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(Br)ccc(F)c1F)[C@@H](C2)C3=O 587426433 NNZKRCHHPFPEOO-XYZCENFISA-N 381.172 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@]1([C@@H](CC(=O)O)CCC[C@@H]1c1ccccc1)[C@@H](C2)C3=O 587448263 BWAGLQYBXVNRQH-BKJGLDIHSA-N 392.451 4.240 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3CN(C(C)=O)c4cccc1c43)CC2=O 587479111 BAVLWYSRTKPJAV-IZHWHUGBSA-N 391.467 4.449 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)nc2ccccn12 587552339 QKMMLOJMEODOTI-OXQOHEQNSA-N 392.798 4.396 0 1 GIAF Oc1nc(O)c2ccc(-c3ccc(Nc4nc5ccccc5s4)cc3)nc2n1 587563906 MAAOTLHOBRFHCC-UHFFFAOYSA-N 387.424 4.456 0 1 GIAF COCOc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594547 OMNUKTYSBFEQOS-NZQKXSOJSA-N 392.407 4.252 0 1 GIAF COc1ccc2c(c1)OC=C[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612512 VNJFPICBHISKBE-NFBKMPQASA-N 388.375 4.164 0 1 GIAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(F)c1F 587718042 MHNYVJIFGAPCJU-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2C(=O)C(F)F)N1 587722049 XTLAOARFRHRFPR-NVTQBHAOSA-N 390.243 4.342 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccn2-c2ccccc2)N1 587753817 JURIYJJXMOCOOR-KPZWWZAWSA-N 386.268 4.398 0 1 GIAF CCCOc1ncccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587772026 MXJOJVKXGGJFQY-DIFFPNOSSA-N 379.273 4.396 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cncnc2)N1 587779433 SINUFXKMNYZGAW-XCLFUZPHSA-N 398.279 4.204 0 1 GIAF CCOC(=O)C[C@@]1(C2(C)CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587800255 WJDDQGPRSZQMFH-ADLMAVQZSA-N 384.289 4.071 0 1 GIAF COc1cccc2c1[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587808690 OGKQNDDZJOIGMD-WYRIXSBYSA-N 376.269 4.321 0 1 GIAF COc1ccc(-c2cc(O)n(-c3cnc(Cc4ccc(F)cc4)nc3)c2O)cc1 587945961 HQZKMRIPADAXOC-UHFFFAOYSA-N 391.402 4.084 0 1 GIAF Cc1cc2c(cc1F)[C@]1(CCNc3c(Br)ccc(F)c31)NCC2 962095086 UXLDHJDQLJEBKP-SFHVURJKSA-N 379.248 4.241 0 1 GIAF COc1cccc(Cl)c1[C@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962764311 LMHNACOQDBZDOZ-KBXCAEBGSA-N 383.797 4.258 0 1 GIAF Cc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1N 963186669 LAOLSDIMTBXWIX-FUHWJXTLSA-N 398.812 4.112 0 1 GIAF O=C(CN1CCC(NC(=O)c2ccc(Cl)cc2Cl)CC1)c1ccccc1 1772619108 FHULZJDOOVPBCW-UHFFFAOYSA-N 391.298 4.071 0 1 GIAF c1ccc(C[N@@]2C[C@H]2COc2cccc3c[n+](Cc4ccccc4)ccc23)cc1 1857627007 RVIXBLIWKFDYEZ-CUBQBAPOSA-N 381.499 4.439 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)C[C@@]4(C)CC(=O)[C@@H]32)C1 2356524503 GVPGOBSHOOZRBN-DCEKRDNASA-N 390.520 4.072 0 1 GIAF CC1(C)C[C@H]2C[C@](C)(CN2C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)C1 3245515 FULXVPIUTXANTP-BUXKBTBVSA-N 399.318 4.160 0 1 GIAF CC(=O)O[C@@H]1[C@H]2c3c(ccc4c(=O)cc(-c5ccccc5)oc34)O[C@@H]2OC1(C)C 5664616 XTIQPKJOGKMOSY-CEMLEFRQSA-N 392.407 4.003 0 1 GIAF biogenic CCCCOc1cccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3 13580321 ONTSMVMHZIYPME-QLBJFCOMSA-N 397.559 4.282 0 1 GIAF COc1ccc(CCC2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1OC 26960704 QKMNQJAZEROTGX-UHFFFAOYSA-N 390.435 4.424 0 1 GIAF CN1C(=O)COc2ccc(Sc3cc([C@]4(C)COC(C)(C)O4)cs3)cc21 27309063 OWGXNNPSVXKNMS-IBGZPJMESA-N 391.514 4.253 0 1 GIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/c2cccnc2)c1 28456453 BGEXGTUOSSSZOY-VAWYXSNFSA-N 387.483 4.108 0 1 GIAF CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(OC)cc1 28823175 GFFWDASSKNDNQE-CQSZACIVSA-N 397.924 4.225 0 1 GIAF COc1cccc([C@]23CCC[C@H](C2)N(C)C[C@@H]3OC(=O)c2ccccc2)c1OC 31905116 BEGZOARTFIXUBE-ZHRMCQFGSA-N 395.499 4.055 0 1 GIAF C[C@H]1c2c[nH]nc2-c2ccc(F)cc2N1S(=O)(=O)c1ccc(Cl)cc1 45287217 HMNZAMWLAKXYLG-JTQLQIEISA-N 377.828 4.139 0 1 GIAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(SC)cc3)C[C@H]1C=N2 49808407 KQSZFLMDWHNPGL-HNNXBMFYSA-N 380.469 4.397 0 1 GIAF Brc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCNCC1)=N2 49918215 UCWFTHFVWCMNCJ-UHFFFAOYSA-N 382.305 4.024 0 1 GIAF C[C@@H](C(=O)N1CCCC1)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 66112467 WJAMRMUKYHIQHV-CQSZACIVSA-N 391.437 4.496 0 1 GIAF O=C(O)C1=CNC=C(C(=O)OC/C=C/c2ccccc2)[C@H]1c1ccc(Cl)cc1 84653619 QCBLVEOJFDTYFZ-PDGUBNMISA-N 395.842 4.136 0 1 GIAF NC(=O)c1ccc2cc(-c3ccc(-c4cc5ccc(C(N)=O)cc5[nH]4)cc3)[nH]c2c1 103251456 GIISALXUTCRBCE-UHFFFAOYSA-N 394.434 4.181 0 1 GIAF CN(C)Cc1cccc([C@@H]2Nc3cccc4c(=O)[nH]nc(c34)[C@@H]2c2ccccc2)c1 117889030 SNFZYJVSHCYGBE-GGAORHGYSA-N 396.494 4.283 0 1 GIAF NC(=O)c1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1 143123655 MLIUWSBFWSVRQG-UHFFFAOYSA-N 380.411 4.016 0 1 GIAF CC(=O)Nc1cccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)c1 147389263 HICRGSDYYXYTBV-UHFFFAOYSA-N 375.407 4.106 0 1 GIAF C[C@H]1CN=C(c2ccc(-c3ccc(-c4ccc(C5=NC[C@H](C)N5)cc4)o3)cc2)N1 196125358 SKVJKTUZAHUVPO-HOTGVXAUSA-N 384.483 4.090 0 1 GIAF Nc1cnc(-c2ccc(C3CCCCC3)c(Oc3nccc(N)n3)c2F)cn1 224567253 BWAPSHNGKUSVBZ-UHFFFAOYSA-N 380.427 4.077 0 1 GIAF O=C(O)c1ccccc1-c1nnc2c(Cc3ccccc3)nc3ccccc3n12 473114900 PILGWTRFIPDUIM-UHFFFAOYSA-N 380.407 4.234 0 1 GIAF COc1cc(/C=C\c2nc3ccc([C@@H](N)N=O)cc3[nH]2)ccc1Br 586975924 HASYUHJBQAPSJX-KNYPUDEUSA-N 387.237 4.228 0 1 GIAF Cn1cnc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cnc21 586987162 KGZFFCLEAQKLKF-UHFFFAOYSA-N 378.391 4.101 0 1 GIAF COC(=O)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1O 586990273 BXJXZHFRBCYVRH-UHFFFAOYSA-N 397.386 4.311 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4c(C)noc4C)c1)[C@@H](C2)C3=O 587436759 SRYJRSPVZYJEOI-FDDCHVKYSA-N 391.423 4.368 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Br)ccnc1F)CC2=O 587471151 JEBABZQWKPETOT-CQSZACIVSA-N 380.213 4.348 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCCC(=O)O)c1)CC2=O 587481390 LXFNJERHNDSJKR-HXUWFJFHSA-N 384.428 4.295 0 1 GIAF C[C@@]1(c2cc(F)c(O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559647 YJUBZNPNYKFUCW-UWJYYQICSA-N 384.334 4.253 0 1 GIAF CC(=O)Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602893 ZMFHCSVUVXOAHZ-KNQAVFIVSA-N 376.364 4.020 0 1 GIAF Cc1c(CCc2ccc(Br)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649218 MIDPEEWKKGEQSR-UHFFFAOYSA-N 392.318 4.428 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C[C@@H]2N=O 587742944 VDPMDMIPTADXIE-APEXYLGGSA-N 375.241 4.057 0 1 GIAF CCOC(=O)C1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 587794857 HLQADAJYIIBWNL-PIGZYNQJSA-N 384.289 4.071 0 1 GIAF COC(=O)[C@@H]1CCCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587809059 QALIRFLXTGGTBG-SUFBMKPHSA-N 384.289 4.071 0 1 GIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cncc(Br)c2[nH]1 587925522 CBGWZWORELDLRG-LLVKDONJSA-N 376.254 4.280 0 1 GIAF CC1(C)CN(c2ccc([C@@]3(c4ccccc4)NCCc4ccc(O)cc43)cc2)C1=O 963342732 SIZWPJKQVZCYHP-AREMUKBSSA-N 398.506 4.203 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cccc(OCc2ccccn2)c1 963635706 NVCCTSLMUDNOBO-VOIUYBSRSA-N 390.483 4.301 0 1 GIAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1 1772614472 BKDFMSYZAYLXTA-KBXCAEBGSA-N 390.886 4.376 0 1 GIAF COc1cc(/C=C2\C(=O)Nc3ccc(C(=O)c4ccco4)cc32)cc(Cl)c1O 1857572929 VLTXUSRPIKKNEW-AUWJEWJLSA-N 395.798 4.371 0 1 GIAF Cc1cccc(N=c2[nH]c3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)c1 1857607527 FGOCUNMLIHWQCE-UHFFFAOYSA-N 382.876 4.278 0 1 GIAF CC(C)(Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Br)cc1 1911581113 HEDNVZQAYCHLMZ-UHFFFAOYSA-N 391.265 4.050 0 1 GIAF CC1(C)CC[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@]2(C)[C@@H]3C(=CC[C@H]12)CO[C@@H]3O 2356403804 VCKBZSACDFEBME-DGFIKVTLSA-N 398.499 4.055 0 1 GIAF COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)oc(=O)c2)ccc1O 1655213 HBQAGUJPXCUUFC-SALQQRKASA-N 392.407 4.409 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](CC1CCN(Cc3ccccc3)CC1)C2=O 3814279 BRORJAOLGOPAMR-LJQANCHMSA-N 379.500 4.361 0 1 GIAF CCOC(=O)OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@H]1Oc1cccc(N(C)C)c1 7992147 BJQHPHLOVQMVEG-VSKRKVRLSA-N 397.471 4.369 0 1 GIAF CCOCC1=Cc2ccc(OC)cc2O[C@@H]1c1cc(OC)c(OC)c(OC)c1 13553834 UQPKBLPKCLXGHZ-OAQYLSRUSA-N 386.444 4.275 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C=C[C@@]21C 33820866 KHMDWPNMFSMERZ-UZVSRGJWSA-N 390.564 4.254 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C/C(=C\c5ccncc5)[C@@H]4O)[C@@H]3CC[C@@H]12 38411859 SINXEYLFXFHPMM-WNVBCGJMSA-N 392.543 4.075 0 1 GIAF CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12 40403122 JIZMGPQMJWHZEV-UHFFFAOYSA-N 395.555 4.112 0 1 GIAF C[C@H](NC(=O)/C(C#N)=C/C=C/c1cccc(Br)n1)c1ccccc1 68197320 IVAUEQVCSQZMGV-QIUCFAMLSA-N 382.261 4.185 0 1 GIAF O=C(N[C@H](c1ccc(Cl)c(F)c1)C1CCNCC1)c1ccc2cnccc2c1 72177255 MUHSEKFDAVMYHO-NRFANRHFSA-N 397.881 4.498 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3c(O)cc(OCc4ccccc4)cc3O2)cc1O 95561852 CDVCUUPVBSIPQT-NRFANRHFSA-N 392.407 4.392 0 1 GIAF O=C(Nc1nc(-c2ccccc2)c(C(=O)c2cccnc2)s1)c1ccco1 96927334 AEYQFNIOBKLRKL-UHFFFAOYSA-N 375.409 4.281 0 1 GIAF CCC[C@@H]1c2[cH-]cnc2C=C[C@H]1C(=O)CC(=O)CCc1ccc(O)c(OC)c1 103531708 PWWXPBWPHQMOLI-IEBWSBKVSA-N 380.464 4.203 0 1 GIAF biogenic,in-vitro CN(C)Cc1ccc([C@@H]2c3n[nH]c(=O)c4cccc(c34)N[C@H]2c2ccccc2)cc1 117873087 JWHYKKKANGIQHW-GMAHTHKFSA-N 396.494 4.283 0 1 GIAF O=C(O)CCCCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144800864 JZDVRRMEAJFQCB-LJQANCHMSA-N 380.362 4.489 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cc2cc(F)ccc2n1C 167063009 DYSDXWPNOMDVOS-AUUYWEPGSA-N 396.462 4.444 0 1 GIAF CCOc1ccccc1-n1c(O)cc(Sc2nnc(-c3ccccc3)[nH]2)c1O 169689774 FTORUPFMDIZTOH-UHFFFAOYSA-N 394.456 4.224 0 1 GIAF O=C(C1CCCCC1)N1CCC([C@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1 205763371 FDUHADIZUWTWAZ-FYYLOGMGSA-N 393.531 4.023 0 1 GIAF N[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 253883849 PPTRQEYYBDSZBD-UJKQEGAGSA-N 385.863 4.189 0 1 GIAF Cc1ccnc(NC(=O)Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 586997653 UYAUEJULZHDUHG-UHFFFAOYSA-N 394.434 4.034 0 1 GIAF COC(=O)c1ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1OC 587069416 KEOQJPWHVVXYBX-LLVKDONJSA-N 386.835 4.388 0 1 GIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587147062 DJJNCOSRWVRVQQ-UHFFFAOYSA-N 390.296 4.230 0 1 GIAF COc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587340947 UXHXKGVICGCVCY-IRLDBZIGSA-N 379.387 4.209 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(NC(=O)OC(C)(C)C)s1)O2 587412586 JKFKTRWCQUHCTL-CYBMUJFWSA-N 375.450 4.087 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]([C@@H](F)C(=O)OCC)C1)CC2=O 587464904 YXXLMCDMPXOMFN-GIWSNZPPSA-N 378.440 4.140 0 1 GIAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC[C@@H]1CO1 587535921 PDNXFNXDRAACJI-XDHUDOTRSA-N 394.467 4.232 0 1 GIAF CCOC(=O)Cc1ccc2nc(COc3cccc(OCC(C)C)c3)[nH]c2c1 587565599 FUIHQKAXFNUGFX-UHFFFAOYSA-N 382.460 4.282 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C[C@H]1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596862 PNSICPAKQUDWLV-PTLSTEMOSA-N 396.439 4.092 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn([C@@H]3CCCCO3)n2)N1 587766714 WNEVRALIKKGSKI-VQTKTOELSA-N 394.288 4.107 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc2c(c1)OCCO2 587863227 VNDUNTFJTQFJND-UHFFFAOYSA-N 376.334 4.338 0 1 GIAF CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587969728 VQXDMKCSOWTTMP-JLHYYAGUSA-N 377.469 4.137 0 1 GIAF CCOC(=O)[C@@H]1CCCCCC[C@@]12NCCc1cc3cccc(OC)c3nc12 963062959 YOPKPMJPCOEMPX-FDDCHVKYSA-N 382.504 4.118 0 1 GIAF C[C@@]1(c2cccc(N3Cc4ccccc4C3)c2)NCCc2c(C(=O)O)cccc21 963119380 DQDVPFFSHIOYMM-VWLOTQADSA-N 384.479 4.314 0 1 GIAF O=c1c2ccccc2oc2c(Cc3ccc(O)cc3)[nH]c(-c3cccnc3O)c12 1772610305 PWRYBKUFIRBUNF-UHFFFAOYSA-N 384.391 4.338 0 1 GIAF COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CC[C@H]2CCCC[C@@H]2C1 1772633141 FCDOGQROZFGSLY-MBOZVWFJSA-N 383.540 4.038 0 1 GIAF O=C(Nc1cc(F)ccc1F)c1cc(O)nc2cc(Br)ccc12 1857629267 PSOWNOLYBGGMMF-UHFFFAOYSA-N 379.160 4.233 0 1 GIAF C[C@H]1CCCC[C@@H]1NC(=O)NCCCc1nnc(C2CC2)n1-c1ccc(F)cc1 1911577186 KEJFUTRFDWQQAX-KXBFYZLASA-N 399.514 4.094 0 1 GIAF COC(=O)C1=CC=C[C@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@]12COC(C)=O 2356619783 SYVYRCZGWRMKCF-AAEGSUEWSA-N 386.488 4.483 0 1 GIAF CCCC[C@@H]1CC[C@@](CCc2ccc(O)c3c2CCCO3)(OC(C)=O)C[C@@H]1O 2356774055 PPZINCQQUQWLLM-RZFNWQHOSA-N 390.520 4.303 0 1 GIAF CCNC(=O)[C@]1(C)CCCN(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)C1 61903009 LGLHOHQYOJCSOS-XMMPIXPASA-N 384.564 4.414 0 3 GIAF CC[C@@H]1CC[C@@H](C)N(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C1 3955315 MGGUYQNXKXLTRC-HUUCEWRRSA-N 380.467 4.475 0 1 GIAF O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4049936 UJFMWAPPYXSSDJ-CTNGQTDRSA-N 394.471 4.338 0 1 GIAF CC1(C)[C@H]2C[C@H](C/C=C/CCCc3nnn[nH]3)[C@@H](NC(=O)c3ccsc3)[C@@H]1C2 26497950 SZEZNMXFSUUPSO-HBUMZDKSSA-N 399.564 4.011 0 1 GIAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCCc1ccccc1 27105852 IWXYQZHXHPKDOV-SFHVURJKSA-N 389.561 4.265 0 1 GIAF c1cn(-c2ccc(OC[C@H]3CCCCN3Cc3ccc4c(c3)OCO4)cc2)cn1 28818861 OGIDTPKJWIUESB-HXUWFJFHSA-N 391.471 4.035 0 1 GIAF c1ccc(Sc2ncnc3ncn([C@H]4CNc5ccccc5CO4)c23)cc1 29128061 LPPQCKNWBLNGHP-QGZVFWFLSA-N 375.457 4.118 0 1 GIAF COc1ccc([C@H]2CC(=O)N(c3cccc(N)c3C)C2)cc1OC1CCCC1 34820569 QLWHJXUNICSGMI-KRWDZBQOSA-N 380.488 4.428 0 1 GIAF CCCN(c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12)C1CC1 40402225 SGOJYCQMHLHRRK-UHFFFAOYSA-N 395.507 4.113 0 1 GIAF CC1=NN(C(=O)Nc2ccccc2C)C(C)=NN1C(=O)Nc1ccccc1C 40505602 WGGRFPIZAUEGSC-UHFFFAOYSA-N 378.436 4.352 0 1 GIAF CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(C)cccc23)on1 40897758 XQVXSGXSECAROR-UHFFFAOYSA-N 380.322 4.306 0 1 GIAF CCN1C(=O)c2ccccc2[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 43199839 JJCSPUCCIBHSMR-INIZCTEOSA-N 396.796 4.192 0 1 GIAF CCOc1cccc(C2(N3CCN(c4cccnc4)CC3)[C@H]3CC(C)C[C@@H]32)c1 101685286 CUKMJOAAPROTTA-PRRLZWHQSA-N 377.532 4.174 0 1 GIAF Cc1c(Cc2ccccc2)nnc(N2CCC(c3ncc(Cl)[nH]3)CC2)c1C 117267361 QQDFLNQCKPEAOT-UHFFFAOYSA-N 381.911 4.445 0 1 GIAF c1ccc(CCNc2nccnc2Oc2ccc(Nc3ccccn3)cc2)nc1 139164548 JJQQUTCMLCIDGF-UHFFFAOYSA-N 384.443 4.457 0 1 GIAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-n2cccc2)cc1)C3 195280017 JMLZRLQBGATUMI-CUQWSQKUSA-N 376.500 4.154 0 1 GIAF O=C(O)C[C@@H](NC(=O)c1cnc(O)c(Cl)c1)c1ccc(-c2ccccc2)cc1 261193259 ZYKGDOZRIGGZTL-GOSISDBHSA-N 396.830 4.053 0 1 GIAF O[C@H](CCCN1C=C[C@](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 299853529 MFRRKLRVXZYOMO-NHCUHLMSSA-N 375.871 4.400 0 1 GIAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)OCc1ccccc1 586992133 OHVGPKDAQHRNKT-UHFFFAOYSA-N 395.414 4.438 0 1 GIAF Fc1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587002996 ZTNAFLJIFUSCGX-PLNGDYQASA-N 375.197 4.406 0 1 GIAF COc1cc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2cn1 587030628 GSYSCPTWJHJKIU-UHFFFAOYSA-N 375.251 4.193 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587076151 KBZZRWONHFSEJG-UHFFFAOYSA-N 399.859 4.054 0 1 GIAF O=C1c2ccccc2-c2cc(Cn3nc(Cl)nc3Cl)nc3cccc1c23 587104928 YYHVILRGAZTRGR-UHFFFAOYSA-N 381.222 4.393 0 1 GIAF CC(C)Oc1ccc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587132070 INBFTPCAQQESEA-ZDUSSCGKSA-N 381.423 4.320 0 1 GIAF CC(C)(C)Oc1cc(-c2nc3ccc(Br)nc3[nH]2)c(N)cc1F 587135890 HMMYQRIGNLBTHU-UHFFFAOYSA-N 379.233 4.286 0 1 GIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(C)nc4[nH]3)cc2)cc1F 587147417 LVFJBWMEMRJGPT-UHFFFAOYSA-N 388.446 4.413 0 1 GIAF O=S(=O)(O)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151522 ZVPCOICEMDYRRL-LJQANCHMSA-N 397.431 4.150 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc5c(c4)C(=O)OC5)o1)[C@@H](C2)C3=O 587448043 BGRNOIFXUKNXRF-AOMKIAJQSA-N 388.375 4.114 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C[C@H](C)C(=O)O)(c1ccccc1F)CC2=O 587467947 VADRLMZLIQKJAU-WHEQGISXSA-N 386.419 4.455 0 1 GIAF COc1cc(F)c2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567056 BQADXXCYYXAOSX-REWPJTCUSA-N 392.382 4.343 0 1 GIAF C[C@@]1(c2ccccc2-n2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577107 MBVJQBAYXUJSTI-URXFXBBRSA-N 398.418 4.455 0 1 GIAF CC1(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)COC1 587617982 SCMSBBKUTPNVDK-REWPJTCUSA-N 388.419 4.383 0 1 GIAF CCC(C)(C)c1ccc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1 587651925 HGLQCAXOEYXBQD-UHFFFAOYSA-N 384.863 4.457 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccco2)N1 587741647 OFCWBIRVFVOCIW-SMRFNTIOSA-N 379.273 4.034 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2-c2ccccc2)N1 587762657 ZDGTVMIQKSEDTK-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(Br)c(O)c2[nH]1 587787628 PHLKZVOIWKCBKI-UHFFFAOYSA-N 389.249 4.164 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C(=O)O)c2)N1 587825316 GYAHDIUTFPOGSS-XTZNXHDOSA-N 378.241 4.084 0 1 GIAF Cc1ccc2c(c1)OC[C@@]1(CO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832441 BSOFIGGJSMHNAX-HXPMCKFVSA-N 392.268 4.098 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2COc3ccccc3C2)N1 587835160 NUPVKSICRJCKGX-FRGNPEFRSA-N 376.269 4.415 0 1 GIAF N=c1[nH]c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(-c2ccc(F)cc2)s1 587873801 NEASDLKIEIXIMB-UHFFFAOYSA-N 396.378 4.159 0 1 GIAF Cc1cc(C)n(Cc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2)n1 587874915 FJKAWACCRJDIOC-UHFFFAOYSA-N 388.402 4.345 0 1 GIAF COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3s2)cc1C(=O)O 653915623 GSKMFBKPRSPNJY-UHFFFAOYSA-N 377.809 4.301 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1ccc(Br)s1 963611956 RGJRVOJUHILBON-DYZYQPBXSA-N 382.323 4.326 0 1 GIAF CCOc1cc(-c2nc(-c3ccnc(C)c3)c3n2CCOCC3)ccc1CC 1772611484 ZKHRMISQUXJBEH-UHFFFAOYSA-N 377.488 4.454 0 1 GIAF Oc1nc2cnccc2n1-c1cc(-c2cc(Cl)ccc2F)[nH]c2nccc1-2 1857569511 UNTBKJREODQEAG-UHFFFAOYSA-N 379.782 4.414 0 1 GIAF C[C@H]1CN(C(=O)CC2CCCCC2)CCN1C(=S)Nc1ccc(F)cc1 1857614119 RKCDCXWKVABECQ-HNNXBMFYSA-N 377.529 4.026 0 1 GIAF CC(=O)CC[C@@H]1[C@@H]2[C@H](O)[C@H](C(C)C)[C@H](OC(=O)C=Cc3ccccc3)C[C@@]21C 2356531820 MZRGOEIFXVZAOF-MRVFEXEFSA-N 384.516 4.270 0 1 GIAF CCC=C(C)C=C(C)[C@H](O)[C@H](C)[C@@]12O[C@H]3[C@H](C)[C@@](CC)(O[C@@](O)([C@H]3C)[C@@H]1C)O2 2356568904 QAPANHSCLYNNHY-NQBGTIOHSA-N 394.552 4.145 0 1 GIAF COc1cc(CCCOC(C)=O)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C 2356608856 VTRIMEHDVSQBRE-LRTDBIEQSA-N 384.428 4.157 0 1 GIAF CNC(=O)N1Cc2c(ccc([C@]3(C)CCCC(C)(C)C3)c2[C@H](C)C(=O)O)C1=O 2356805258 ZQQLQLZNBHFWAS-WHEQGISXSA-N 386.492 4.028 0 1 GIAF O=C(NC1CCCCC1)[C@@H](c1ccco1)N(Cc1ccco1)C(=O)c1ccco1 1341819 HEXMJJGHWGOAEY-HXUWFJFHSA-N 396.443 4.298 0 3 GIAF O=C(Nc1ccc(O)cc1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 5681185 QGVJGVPLIKYDSC-HMAPJEAMSA-N 397.434 4.283 0 1 GIAF Cc1nccc2c1[nH]c1cc(OC(=O)[C@@]34CC[C@@](C)(C(=O)O3)C4(C)C)ccc12 6520695 SHFXXVQXMDMYSM-FCHUYYIVSA-N 378.428 4.052 0 1 GIAF CCCOc1ccccc1CNc1ncnc2c(OC)c(OC)c(OC)cc12 13834087 PPFYNUGDSIHBIJ-UHFFFAOYSA-N 383.448 4.057 0 1 GIAF Cc1c2c(c(O)c3c(=O)cc(-c4cc(O)c5c(c4)C=CC(C)(C)O5)oc13)OCO2 14708743 QIVQXKHXFDLRQB-UHFFFAOYSA-N 394.379 4.093 0 1 GIAF biogenic CC(C)CN1CCCN(CCn2ccc3ccc(Br)cc32)CC1 22939944 POBUDYYXFDGRFB-UHFFFAOYSA-N 378.358 4.068 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)NC1CCCC1)CC2 40423402 HEXRFGOUGNLTEM-QFIPXVFZSA-N 398.478 4.443 0 1 GIAF Cc1ccc(C2=NO[C@H](COCc3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 45289947 QANAACRRWVSTOU-KRWDZBQOSA-N 383.835 4.408 0 1 GIAF CCOc1ccccc1-c1nc(C(=O)NCc2cccc(OC)c2OC)cs1 82074809 RIFNWGLEUVHMMQ-UHFFFAOYSA-N 398.484 4.156 0 1 GIAF Cc1ccc2nc(C(F)(F)F)c(C(=O)NCc3cccc(OC(C)C)c3)n2c1 84740750 CLBHFAASYPYMIA-UHFFFAOYSA-N 391.393 4.379 0 1 GIAF Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@H]23)cc1 95876972 VXYWKBKVONATQO-TWJOJJKGSA-N 390.571 4.297 0 1 GIAF CCOC(=O)N1CCN(c2nc3nc(Cl)ccc3cc2-c2ccccc2)CC1 103275733 GGBDVOVEQSJBOP-UHFFFAOYSA-N 396.878 4.229 0 1 GIAF CCCCCc1ccc(C(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)cc1 136970536 YBMXZSWZDVESLG-JOCHJYFZSA-N 378.516 4.343 0 1 GIAF CCCCCNC(=O)NCCCC/C=C\CCCCCCS(=O)(=O)O 148883603 XFXANLGIPIXNNO-XQRVVYSFSA-N 376.563 4.041 0 1 GIAF O=C(O)c1ccc(-c2cc(C(=O)O)nn2-c2ccc(Cl)c(Cl)c2)cc1 299864231 QXBIFHUHVQBEPO-UHFFFAOYSA-N 377.183 4.243 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3cc4c(cc3[nH]2)OCCO4)[C@@H]1c1ccccc1Cl 587062656 ZRSWTIVTMNHGKJ-XCLFUZPHSA-N 397.862 4.065 0 1 GIAF N[C@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)c1ccc(F)cc1F 587150100 KGCQKDVSQVMKGV-ZDUSSCGKSA-N 377.700 4.441 0 1 GIAF CC(C)(C)OC(=O)N(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C[C@@H]1CCCO1 587196751 BJCVLOYBEOIPTG-ZDUSSCGKSA-N 399.413 4.498 0 1 GIAF CC(C)[C@H](c1nc2ccc(OCCN(C)C)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587198095 TUBDCJCBPAUSJX-GOSISDBHSA-N 390.528 4.067 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN3CCCCC3)cc1)O2 587402112 YJXHQBCRDWBFCM-JOCHJYFZSA-N 380.488 4.148 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(OC(F)(F)F)c1F)[C@@H](C2)C3=O 587421526 LLXAMQRFVXBTEU-SGTLLEGYSA-N 382.309 4.396 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc4cc5c(cc4nc1Cl)OCO5)[C@@H](C2)C3=O 587421793 RRGNXOWCDVGICR-FKIZINRSSA-N 395.798 4.114 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(/C=C\C(=O)O)=COc2ccccc21 587490704 XZRLNODMUUKUPU-HHMVEJHFSA-N 392.407 4.123 0 1 GIAF COc1ccnc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552335 QHCRXKMYSUGHNI-QFBILLFUSA-N 383.787 4.152 0 1 GIAF CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587773914 SDUVNGKFQAZOPF-VOJFVSQTSA-N 379.273 4.180 0 1 GIAF CCOc1ccccc1OCc1nc2c(Cl)c(Br)cnc2[nH]1 587780340 QFAWYGQWEUFCGR-UHFFFAOYSA-N 382.645 4.352 0 1 GIAF COCCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587790854 HDJANSZMOWFCDM-HXPMCKFVSA-N 394.284 4.237 0 1 GIAF COc1n[nH]c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 587791473 FWOWHSHGWGONOS-HUTHGQBESA-N 390.256 4.097 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(=O)Nc3ccccc32)N1 587796724 UVXWPRPKXSDYIX-WYRIXSBYSA-N 389.268 4.098 0 1 GIAF COc1ccc(OC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587802864 VLNCFBLXLAJHAB-ZBEGNZNMSA-N 380.257 4.251 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccccc3OC2)N1 587835870 RBYQJKYIDQZJSX-HXPMCKFVSA-N 376.269 4.343 0 1 GIAF COC(=O)c1ccsc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587847352 WOIHHPPNSJQMFF-RMLUDKJBSA-N 384.270 4.060 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Cl)s2)N1 587851189 BEWIAQUOSXNINZ-NXSYQRQQSA-N 375.694 4.496 0 1 GIAF O=C(NCc1ccc(Cl)cc1Cl)c1ccc(NC(=O)C(F)(F)F)cc1 621478162 FLQYQAQRICAOGW-UHFFFAOYSA-N 391.176 4.424 0 1 GIAF CCCCCC(=O)C[C@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962708373 YXZUUMJYOGQOJJ-WMZOPIPTSA-N 389.389 4.198 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@H](c3c(-c4ccccc4)nc4ccccn34)c3cccc1c32 963028292 OWEDTEWMZGRCQF-OSPHWJPCSA-N 394.478 4.144 0 1 GIAF CN1C(=O)C[C@H]2CN[C@](c3ccc(F)cc3Cl)(C(F)(F)F)c3cccc1c32 963040004 ZWCZDJQKOFGIFO-YPMLDQLKSA-N 398.787 4.338 0 1 GIAF Cc1cc(SCc2nn(-c3ccccc3)nc2C)ccc1OC(C)(C)C(=O)O 1772585500 PYTSSEYHFVZNIZ-UHFFFAOYSA-N 397.500 4.418 0 1 GIAF Cc1noc2c(-c3cncc(F)c3)nn([C@H](C)c3ccc(Cl)cc3)c(=O)c12 1772609283 BQIREJUHVXKGES-LLVKDONJSA-N 384.798 4.157 0 1 GIAF C[C@@H]1N=C(c2ccc(Cl)c(C(F)(F)F)c2)Nc2nc3ccccn3c2C1=O 1772626441 XYRYTFOFMLMKDO-VIFPVBQESA-N 392.768 4.450 0 1 GIAF CCC=C(C)Cc1c(O)ccc([C@@H]2COc3cc(O)cc(O)c3C2=O)c1OCC 2356352916 DPDHIKPNCJBMFF-KRWDZBQOSA-N 398.455 4.460 0 1 GIAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@@]32C(=O)CCC(=O)CCC1 2356520786 YQEDSESCWJZLEZ-GOCSGQAASA-N 385.548 4.394 0 1 GIAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 2356608349 MENQCIVHHONJLU-LZIOYECESA-N 398.565 4.422 0 1 GIAF COc1cc2c(cc1OC)[C@H]1Cc3ccc(O)c(CC=C(C)C)c3O[C@H]1CO2 2356675172 JPCIZGFTOQPFOD-ZHRRBRCNSA-N 382.456 4.398 0 1 GIAF Cc1ccc(N/C=C2/C(=O)N(c3ccc4c(c3)OCO4)C(=O)c3ccccc32)cc1 17519737 CUWBMKFSJCNQSC-DEDYPNTBSA-N 398.418 4.364 0 3 GIAF COc1ccc(-c2csc([C@@](C)(NC(C)=O)c3ccc(OC)cc3)n2)cc1 61897691 FOTNYADBIRJJMW-NRFANRHFSA-N 382.485 4.227 0 3 GIAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCOc1ccccc1 2483527 UXMMHTIDKPSBHM-UHFFFAOYSA-N 394.471 4.457 0 1 GIAF Cc1nc(-c2ncn3c2CN=C(c2ccccc2)c2cc(Cl)ccc2-3)no1 26380234 SKSDJLXQXMGWFQ-UHFFFAOYSA-N 375.819 4.235 0 1 GIAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ccccn2)/C1=C(/O)OCCc1ccccc1 29484878 AAUGTQLUIUTNJR-UQNFDQQLSA-N 379.416 4.177 0 1 GIAF Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4ccc(F)cc4F)c3C2)nc1 114993177 HUNKNRMFRKNUAR-AWEZNQCLSA-N 381.430 4.194 0 1 GIAF COC(=O)[C@]1(C)[C@H](O)CC[C@]2(C)c3cc4c(cc3C(=O)C[C@H]21)[nH]c1ccccc14 2356447272 YSJQFTPGPPBWEH-KOVSNXQUSA-N 391.467 4.115 0 1 GIAF Cc1cc(NC(=O)NCc2cccs2)ccc1N1CC[C@@H](N2CCC[C@H]2C)C1 116950410 CCDWSMJPLNHEDZ-IEBWSBKVSA-N 398.576 4.441 0 1 GIAF COc1cccc(-c2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)s2)c1 36107906 AKXAKWSZDIRPRH-UHFFFAOYSA-N 399.468 4.263 0 1 GIAF Fc1ccc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)cn1 45301018 QINCTGKEJQBZLN-UHFFFAOYSA-N 397.523 4.347 0 1 GIAF Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)cccc2[nH]1 139012990 PJJRYWYAYDVXPC-UHFFFAOYSA-N 378.524 4.171 0 1 GIAF CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)c(C)c1 43120340 JXKIEMQPJWXXMU-UHFFFAOYSA-N 390.527 4.423 0 1 GIAF COc1cc(CNc2cc(-c3ccc(F)c(F)c3)ncn2)cc(OC)c1OC 82162048 WWPQIFPYSCOXCG-UHFFFAOYSA-N 387.386 4.060 0 1 GIAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1ccc(Cl)c(Cl)c1)O3 96269845 MSIHAESWQHANGO-BMLIUANNSA-N 381.211 4.457 0 1 GIAF CC(C)C[C@H](N)C(=O)N[C@@H](C)P(=O)(Oc1ccccc1)Oc1ccccc1 96167875 ACWHGKCGYSSTMT-APWZRJJASA-N 390.420 4.173 0 1 GIAF CNC(=O)[C@H]1CC[C@H](Nc2nc(C)nc3c(C)cc(-c4cncs4)cc23)CC1 299852800 XQJZHWDHSXMPFF-KOMQPUFPSA-N 395.532 4.087 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2nc1O 587588348 SWWUNIOKXSYPOZ-KNQAVFIVSA-N 385.375 4.349 0 1 GIAF C[C@@]1(c2cccc(N3CCOCC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587518795 PVFTYOATZNYDLL-DEOSSOPVSA-N 377.484 4.283 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CO)(c1ccc(C(F)(F)F)cc1)CC2=O 587464507 RQNOITGUJITMRK-IBGZPJMESA-N 380.362 4.217 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(CCc3ccccc3F)nc2c1 587148363 BWZFZNACJKJYRS-UHFFFAOYSA-N 391.240 4.426 0 1 GIAF COc1cc(F)cc(OC)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587728207 RMMGWNOHVTYYHA-LZVRBXCZSA-N 398.247 4.368 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(F)cc1)CC2=O 587465899 IFJFMWWKPVOOCW-QFIPXVFZSA-N 386.419 4.298 0 1 GIAF O=C1C[C@@H](Cc2nc3ccc(F)c(F)c3[nH]2)c2c(Br)cccc2O1 587003554 LZZOSTXLFOIVTJ-MRVPVSSYSA-N 393.187 4.239 0 1 GIAF O=C(O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 587542018 HGKJWPQGIQKCLF-FXAWDEMLSA-N 396.782 4.447 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1F)CC2=O 587470729 HOLPSFSXJYRHMP-LAUBAEHRSA-N 393.455 4.028 0 1 GIAF CCN(CC)Cc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587385669 DTSGWPZOIXDGSS-HSZRJFAPSA-N 382.504 4.308 0 1 GIAF Cc1cc(-c2nc3c(C(N)=O)cccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144965 OZIGIECPNAGZHN-UHFFFAOYSA-N 389.386 4.142 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc(OC(F)F)cc1)O2 587382933 PUZHNJJDMHYHQV-SHBDEGQCSA-N 388.414 4.115 0 1 GIAF Cc1cnc(Cl)c2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc12 587019512 MIIDUTIZFDVYGB-UHFFFAOYSA-N 389.893 4.281 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(Cl)cc2)N1 587705931 ZZWNOXRFARDDBL-XLFHBGCDSA-N 398.659 4.104 0 1 GIAF NC(=O)c1cccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587150733 NWIAUSZQFDCOBU-IBGZPJMESA-N 379.366 4.108 0 1 GIAF COc1nccc2[nH]cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c12 587808304 YFPKOZPKDXIQMB-HUTHGQBESA-N 390.256 4.097 0 1 GIAF Cc1ccc(-n2ccnc2SCc2nc3cc4c(cc3[nH]2)OCCO4)c(C)c1 586966092 DQABYZHTGFDUBL-UHFFFAOYSA-N 392.484 4.429 0 1 GIAF COc1ccc(-c2nc3cccc(Cl)c3[nH]2)c(I)c1 587179189 RPMJSUVNIODIGM-UHFFFAOYSA-N 384.604 4.497 0 1 GIAF Cc1ccc2c(ccc3nc([C@@H]4CN(C(=O)OC(C)(C)C)CC4(F)F)[nH]c32)n1 587132171 LSNFMVAXHCEPNH-ZDUSSCGKSA-N 388.418 4.389 0 1 GIAF COC(=O)[C@H]1CCc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527515 WBVDMRVCZXBGAJ-HYBUGGRVSA-N 376.452 4.162 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C)c3ccccc32)N1 587767778 KTEPGBYMDDKOFT-BUXKBTBVSA-N 375.285 4.206 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CCC[C@H]2CN(C2CC2)C1 587771020 DUOMADBZEBLWQN-QEJZJMRPSA-N 393.344 4.212 0 1 GIAF N[C@H](Cc1nc2ccc3ncccc3c2[nH]1)c1ccc(Br)cc1F 587144015 HCKBYNLWGYDBDX-CQSZACIVSA-N 385.240 4.255 0 1 GIAF COC(=O)C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353685 RUUFROZCDQNLNY-KNQAVFIVSA-N 386.419 4.238 0 1 GIAF COc1ccc(F)cc1[C@]1(C[C@H](C)CC(=O)O)NCCc2cc(Cl)ccc21 963391649 WCKBMDNRSDDXNN-LRTDBIEQSA-N 391.870 4.378 0 1 GIAF COc1cccc([C@]2(c3cccc(C)c3C)NCCc3c2c(C(C)C)nn3C)n1 962915882 VTWWEAVJBBIQSN-DEOSSOPVSA-N 390.531 4.002 0 1 GIAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1ccncc1Br 962692458 BKWSDTVMLXQYQG-KZULUSFZSA-N 393.325 4.436 0 1 GIAF O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/[C@H](O)Cc2ccccc2F)cc1 1772628049 ABNHKWJQNLIOML-AVMSDGBFSA-N 396.458 4.212 0 1 GIAF CSc1ccccc1OCc1cc(C(=O)N[C@H](C)Cc2cccc(C)n2)no1 12305439 GSSGAESZLMLBNR-OAHLLOKOSA-N 397.500 4.040 0 3 GIAF COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@H](c1ccccc1)O2 12349526 JBYMAMMMXLMWFU-NRFANRHFSA-N 381.453 4.216 0 1 GIAF CC1=CS[C@](OCc2ccccc2)(c2ccc(Cl)cc2)c2noc(=O)n21 13642030 FHMVWZNEGCQUDB-LJQANCHMSA-N 386.860 4.473 0 1 GIAF O=Nc1c([C@H]2C(=O)Nc3c2cccc3C(F)(F)F)[nH]c2cc(C(=O)O)ccc12 169729489 GDXXWQNHNKGHNI-LBPRGKRZSA-N 389.289 4.367 0 1 GIAF CC1=C(c2nc(-c3cccc(C#N)c3)cs2)[C@H](c2ccc(O)cc2)NC(=O)N1 206400390 FGFPZCBWVKAKCD-IBGZPJMESA-N 388.452 4.172 0 1 GIAF CS(=O)(=O)NC(=O)c1cscc1SCc1ccc(Cl)c(Cl)c1 1857549117 YWRLDEFPHRAECL-UHFFFAOYSA-N 396.342 4.037 0 1 GIAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC)[C@@H]2c1ccc(F)cc1 100704587 USVUPPVQVVUYBW-VLURKWGBSA-N 375.425 4.087 0 1 GIAF Cc1ccccc1-n1c(SCc2c(F)cccc2F)nc2nncc-2c1O 103538037 DXHNGLIVQLBHKO-UHFFFAOYSA-N 384.411 4.352 0 1 GIAF CN(C)C[C@@H]1COc2cc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)ccc2O1 28863847 LQDZJRARMCGQAC-ZTVSIKPCSA-N 394.515 4.337 0 1 GIAF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@]3(C)CC[C@](O)(C(C)C)[C@@H]23)cc1O 2356523514 UUXOUABMYCIFOZ-SKWRMQMOSA-N 388.504 4.470 0 1 GIAF CCCCN1CCC(CCC(=O)c2cc(Cl)c(N)c3c2OCCO3)CC1 26263136 QXFNGJPFCRRVMR-UHFFFAOYSA-N 380.916 4.168 0 1 GIAF O=C1OC[C@H](COC(=O)c2ccccc2)C=C1c1ccc(Cl)c(Cl)c1 64559313 XIBBXHVCTPERGX-LBPRGKRZSA-N 377.223 4.407 0 1 GIAF CCN(CC)C(=O)c1cccc(-c2csc([C@H](O)c3cccc(OC)c3)n2)c1 61902725 GGKKBHGWBDNSST-HXUWFJFHSA-N 396.512 4.382 0 3 GIAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3C(=O)O)c2F)cn1 212120609 ILJWNJHGUGHOLQ-UHFFFAOYSA-N 393.418 4.410 0 1 GIAF COc1cc2c(cc1OC)[C@@H]1N(CC2)Cc2c(ccc(OC)c2OC)C1(C)C 14930709 SONXPAJNVIQKDH-QFIPXVFZSA-N 383.488 4.112 0 1 GIAF biogenic O=C(CSc1nc(Cc2c(F)cccc2Cl)cc(=O)[nH]1)c1ccccc1 40874707 QWGLNNCJZYUYHN-UHFFFAOYSA-N 388.851 4.128 0 1 GIAF COc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)cc1 40863323 FLOCCEQFMKRAGJ-UHFFFAOYSA-N 375.457 4.094 0 1 GIAF CCCCNC(=O)c1ccc(CNC(=O)c2coc(-c3ccc(C)cc3)n2)cc1 82069795 MLUUHUJAYMZRHF-UHFFFAOYSA-N 391.471 4.110 0 1 GIAF COc1ccc2[nH]c([C@@H]3CCN(Cc4cccc(OC(F)(F)F)c4)C3)nc2c1 51076811 CDRJTOZNLOESDJ-CQSZACIVSA-N 391.393 4.460 0 1 GIAF biogenic COC(=O)[C@H]1CCC[C@H](C(=O)N2CC[C@]3(C)c4ccccc4C[C@@H]2C3(C)C)C1 473183007 HQVDNAGGANXTMU-YYTKYJTOSA-N 383.532 4.107 0 1 GIAF COc1cc2c(c(OC)c1OC)-c1cc3c(ccn3C)cc1[C@H](OC(C)=O)CC2 653687595 LANVGWBANAFERE-LJQANCHMSA-N 395.455 4.422 0 1 GIAF Cc1c(-c2nc3ncc(C(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029220 KFRMADLISGVSLR-UHFFFAOYSA-N 391.378 4.126 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccc([C@H](C)C(=O)O)cc1)(C(C)C)[C@@H](C2)C3=O 587447000 JRAMZFXANMSKCT-LBDOCTSOSA-N 380.440 4.182 0 1 GIAF COC(=O)C[C@@]1(Cc2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508105 YSGXEYCXQYNVGV-HSZRJFAPSA-N 382.431 4.214 0 1 GIAF COC(=O)c1csc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587850135 XIPBPOVPQKOSJE-AYVTZFPOSA-N 384.270 4.060 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C4(CCC4)C1)[C@@H](C2)C3=O 587443960 NMUOCTIUKZFPCW-HJPURHCSSA-N 399.487 4.135 0 1 GIAF CCn1cc(Br)c(Cc2nc3cc(Br)cc(C)c3[nH]2)n1 586999717 BNNLTYJGJIJVBW-UHFFFAOYSA-N 398.102 4.204 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccco3)n(C)n2)N1 587763540 JXPGKPCIMAVIGN-XTZNXHDOSA-N 390.256 4.205 0 1 GIAF Brc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2n1 587029166 JHDAVYWJOLENFH-UHFFFAOYSA-N 387.262 4.423 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2cccs2)(C(=O)O)N1 587856622 YCMLJWPQFYJTJK-QMDAHSSFSA-N 396.281 4.177 0 1 GIAF CCOC(=O)C[C@]1(C2(C)CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799946 VFNADLLRWLJBJS-VOJFVSQTSA-N 384.289 4.071 0 1 GIAF CC[C@@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608037 JBJDADJNEJOIDN-REWPJTCUSA-N 390.391 4.388 0 1 GIAF CCCCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790257 FBFPRLMIKCWKGY-SGTLLEGYSA-N 386.305 4.461 0 1 GIAF Cc1cc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3nnnn3c2cc1C 587523851 HTQABHKBHPHQRA-QFIPXVFZSA-N 398.466 4.480 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCOc4c(Cl)ccc(Cl)c41)[C@@H](C2)C3=O 587421435 MKRNVUVCZHCFDK-WLRWDXFRSA-N 377.223 4.427 0 1 GIAF COc1ccc(COC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587799135 AJBSQNALZQDOKZ-BUXKBTBVSA-N 394.284 4.389 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(-c4csc(=N)[nH]4)c3)nc2c1 587021419 LAKSUNVAXPNGIE-UHFFFAOYSA-N 384.848 4.206 0 1 GIAF COc1cc2c3c(c1)OC1(C[C@@H](C)N(Cc4ccccc4)[C@H](C)C1)[C@@H](C2)C3=O 587436604 SBHGPINXSZKKGK-QINHECLXSA-N 377.484 4.254 0 1 GIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587175971 YSYQWYFGUXLWSO-ZDUSSCGKSA-N 378.329 4.324 0 1 GIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1C 587581729 XMCSBKMSZMUABK-AUSIDOKSSA-N 391.423 4.168 0 1 GIAF CN(C)C(=O)c1ccc2c(c1)[C@](CCc1cccc(F)c1)(C1CCC1)NCC2 962929256 HZDXUTYYEHIQPM-DEOSSOPVSA-N 380.507 4.301 0 1 GIAF COc1cc2c(cc1OC)[C@](C)(C[C@@H](CC(=O)O)c1ccccc1)N(C)[C@@H](C)C2 962630075 RQDLGPJUFHXGRW-WVCKHHOPSA-N 397.515 4.444 0 1 GIAF C=C(Br)C(=O)Nc1ccc2c(c1)/C(=C\c1cccs1)C(=O)N2 1772641682 JKOMJLKYTWVFOC-MDWZMJQESA-N 375.247 4.088 0 1 GIAF Cc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C2CC2)N3)c1C 13123787 JTYMSCDOVQMAOF-GOEBONIOSA-N 378.398 4.450 0 1 GIAF aggregator COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(N2CCCC2)c1 166376338 SRCAXQLZTYEFAG-FXAWDEMLSA-N 394.515 4.414 0 1 GIAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1nc2ccccc2s1 205438983 ZYWQUHYHWUQXTN-UHFFFAOYSA-N 378.457 4.449 0 1 GIAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@@H]1c1ccc(F)cc1C 1857630945 MEEUZZVYQZKJTN-QGZVFWFLSA-N 385.464 4.005 0 1 GIAF O=C(Cc1c(F)cccc1Cl)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 5140085 NJLPGBYNQQLEOS-UHFFFAOYSA-N 399.853 4.097 0 1 GIAF COc1cc(C(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@](O)(C(C)C)[C@H]23)ccc1O 5757684 YEQVRBJRNFLOQJ-MQFRRQCYSA-N 388.504 4.470 0 1 GIAF Fc1ccc([C@@H]2NCCO[C@]23COC[C@H](c2ccccc2C(F)(F)F)C3)cc1 26501242 HYHOBIXFGWNRJI-UIAACRFSSA-N 395.396 4.448 0 1 GIAF O=C(NCC1CCC1)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F 28645348 FOIIYTALCBINLZ-UHFFFAOYSA-N 384.789 4.422 0 1 GIAF CCCCOc1nc(-c2ccco2)c2ncn(Cc3ccc(OC)cc3)c2n1 28877794 NJUDUGJSUXHRBB-UHFFFAOYSA-N 378.432 4.322 0 1 GIAF CCCc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2n1 40011569 KIDXTXPUYQEMIS-UHFFFAOYSA-N 395.484 4.084 0 1 GIAF Cc1ncn(-c2ccc(Nc3ncc4cccc(-c5nccs5)c4n3)cc2)n1 71315925 BMPQHQFIJBXIOA-UHFFFAOYSA-N 385.456 4.386 0 1 GIAF Cc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 72135912 XPINCFKWHIFHMC-KMDXXIMOSA-N 394.563 4.393 0 1 GIAF CC[C@@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCC3CC3)ncnc21 82180000 XEHKAQNJIYWIEZ-CYBMUJFWSA-N 381.480 4.076 0 1 GIAF N[C@@H](CSC(Cc1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 84705811 RDLFTIVVLBBTMX-NRFANRHFSA-N 377.509 4.318 0 1 GIAF Cc1cc(NC(=O)[C@H]2C(=O)N3c4ccccc4Sc4cccc2c43)sn1 100658458 UHRFTXHCMBIHRK-INIZCTEOSA-N 379.466 4.317 0 1 GIAF CCOC(=O)CSc1nnc(-c2nc(C(C)C)cs2)n1-c1ccccc1 103195818 CDIGENKILAOTAO-UHFFFAOYSA-N 388.518 4.169 0 1 GIAF CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1Nc1cccc(F)c1 103275889 PCCJLNGQSMTZIN-UHFFFAOYSA-N 376.391 4.480 0 1 GIAF CCN(CC)C(=O)[C@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 169720761 UGWDMNQJEJSHLO-DLBZAZTESA-N 379.291 4.370 0 1 GIAF Cc1cc(-c2nc3c(S)nc(S)nc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880239 NUKDNKDQDOILID-UHFFFAOYSA-N 394.481 4.271 0 1 GIAF COc1cccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c12 586967939 JSINYGMVFIFSQG-UHFFFAOYSA-N 385.880 4.406 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(F)cnc3[nH]1)N2 587032452 SWWJYHIUYFZJTB-TXEUWIOXSA-N 389.481 4.224 0 1 GIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)cc2N1 587125440 FHXVSYWQPSPVTL-KGFZYKRKSA-N 390.291 4.148 0 1 GIAF Cc1cc2[nH]c(/C=C/c3cccc(I)c3)nc2c(C)n1 587183674 GHDORIZRGKNVKG-VOTSOKGWSA-N 375.213 4.350 0 1 GIAF Fc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1-n1cccn1 587232649 XYCBHYMKMHUHMC-UHFFFAOYSA-N 387.418 4.438 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(-c3ccc(F)cc3F)c1C)O2 587385768 PYADNPQVPHTOTL-IBGZPJMESA-N 383.398 4.364 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(CC(=O)O)c1)O2 587406294 FXFJPKDPBOEZMZ-DEOSSOPVSA-N 387.435 4.113 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccs1)(c1ccccc1C(=O)O)O2 587414807 WDCLMZBHBRIAPI-NRFANRHFSA-N 379.437 4.246 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)c(F)c1)CC2=O 587465824 HTFZQXZWYTWQCO-NRFANRHFSA-N 385.435 4.027 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](C1CCN(c3cccc(C)n3)CC1)CC2=O 587473878 CODKFHGECJJGID-NRFANRHFSA-N 380.488 4.299 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCNc1ccc(F)cc12 587572830 XASBTELFJKJLQG-KNQAVFIVSA-N 377.371 4.204 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2oc(=O)ccc2c1 587612504 VHYJGGFZQXPVJE-NFBKMPQASA-N 386.359 4.202 0 1 GIAF Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)cc1C 587649322 HNHUVNLGYJZAGA-UHFFFAOYSA-N 377.412 4.303 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cnn3C)cc2F)N1 587727776 DIFHHFSOMVCSJQ-NIVTXAMTSA-N 392.247 4.238 0 1 GIAF CC(C)N(C)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587738536 AZYUXAFWKBGPMA-HXPMCKFVSA-N 392.316 4.451 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn([C@@H]3CCCCO3)n2)N1 587763991 NUVMGDOJNYIHTJ-PSZVPEGOSA-N 394.288 4.107 0 1 GIAF COCc1ccc(OC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587803570 XIEHBTBSSWZYFH-WYRIXSBYSA-N 394.284 4.367 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587811233 VWSQSDNLEMTEGO-ZMZPIMSZSA-N 392.268 4.307 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](CC)n1cc(Cl)cn1 587871549 ZKSJHOGRHIIDKI-INIZCTEOSA-N 376.819 4.229 0 1 GIAF COc1ccc(CCCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1OC 587925334 MHOXEPDCXBKKIZ-UHFFFAOYSA-N 376.359 4.077 0 1 GIAF CC[C@]1(Cc2nc3cc(Br)ncc3[nH]2)CC(=O)c2ccccc2C1 587961719 SWZIDMOGUQXERO-LJQANCHMSA-N 384.277 4.488 0 1 GIAF COC(=O)C1=C[C@@]2(NCCc3cc(-c4ccccc4)ccc32)c2ccccc2O1 962661397 JKOHRUBCHGCEOW-VWLOTQADSA-N 383.447 4.192 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cc3nccc(Cl)c3s2)N1 963240252 YPAOSLXIEJMUBZ-FUHWJXTLSA-N 395.871 4.186 0 1 GIAF CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@H]1c1ccsc1 1857590321 YYRKDMFHIYBWBF-AWEZNQCLSA-N 393.390 4.492 0 1 GIAF CC(C)=CCCC(C)=CCCC(C)=CCO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)O 2356412633 WNCOHPCRBBRDAX-PKOBYXMFSA-N 396.480 4.051 0 1 GIAF CO[C@]1(C)CCC[C@]2(C)[C@H](CN(C)C)C[C@H](C3=CC[C@H](C(C)(C)O)OC3)C[C@@H]12 2356510647 GRJRDZBKHTWUTA-ILWPDHKNSA-N 393.612 4.272 0 1 GIAF CC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)oc2C)C1 5056184 BSQMXJBMOVVRAH-PBHICJAKSA-N 389.927 4.430 0 1 GIAF COc1cc2[nH]c(-c3cccc(N4CCCC4)c3)cc(=O)c2cc1-c1cnco1 12354278 ZEZMSFIYAOVYGB-UHFFFAOYSA-N 387.439 4.459 0 1 GIAF O=C(NCCCN1CCCCC1)C1=Cc2sc3c(c2CS1)CCCC3 20557539 SZDJVRPSMWGGGA-UHFFFAOYSA-N 376.591 4.207 0 1 GIAF CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3)c2cccc(OC)c2)cc1 26184205 YKYYEYSPBCTWSR-OYRHEFFESA-N 376.500 4.161 0 1 GIAF CCO[C@H]1[C@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCC 28571714 ULUMZSNULNTRHL-LLFXUEIYSA-N 384.472 4.051 0 1 GIAF Cn1cc(C(=O)N2CCc3c(cnn3-c3ccccc3Cl)C2)c2ccccc21 28708544 YRLWDTCWICUALG-UHFFFAOYSA-N 390.874 4.216 0 1 GIAF COC(=O)C[C@H](c1ccccc1)[C@H](C(=O)N(C(C)C)C(C)C)c1ccncc1 34987714 KYWHGTBFANPAHY-IFMALSPDSA-N 382.504 4.158 0 1 GIAF COP(=O)(OC)[C@@H](OC(=O)COc1cc(C)ccc1Cl)c1ccco1 35259304 CYGRLPYMDOLEDL-MRXNPFEDSA-N 388.740 4.348 0 1 GIAF O=C(Nc1ccccc1F)O[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 35950917 CSTAQPIMQTTZEJ-NRFANRHFSA-N 389.386 4.190 0 1 GIAF CC[C@H](Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1cccc(SC)c1 40421884 QHERONJMPQIWPG-UTKZUKDTSA-N 384.545 4.351 0 1 GIAF O=C(O)C[C@H]1CCN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64436536 BEAHZBHBRZMAIL-KPCPBYSCSA-N 375.512 4.420 0 1 GIAF O=c1cc(Cn2c(-c3cccnc3)nc3ccccc32)c2ccc(F)c(F)c2[nH]1 72109318 KBIQKIWQFBZCSC-UHFFFAOYSA-N 388.377 4.266 0 1 GIAF CCOC(=O)c1ncn2c1CN=C(c1ccc(OC)cc1)c1cc(Cl)ccc1-2 95557005 YYHYFFQCRRAVQB-UHFFFAOYSA-N 395.846 4.062 0 1 GIAF COc1ccc(Oc2c(NC(C)=O)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1 95560376 XFEAXFKIVNNTBQ-UHFFFAOYSA-N 393.443 4.115 0 1 GIAF CC(C)(C(=O)Nc1nncs1)[C@H](c1ccccc1)c1ccc2[nH]ncc2c1 96283989 QVPPKBMLWHQBMA-QGZVFWFLSA-N 377.473 4.211 0 1 GIAF Nc1ncc(-c2ccc(C(F)(F)F)nc2)nc1-c1ccc(C(F)(F)F)nc1 103252860 CIRJRNWHSTUMGN-UHFFFAOYSA-N 385.271 4.220 0 1 GIAF Cc1cc(N)nc(C)c1CNC(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 114078477 JRMWHJBSUIUNBW-KRWDZBQOSA-N 376.504 4.238 0 1 GIAF CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2 142417326 STJQLXDEMOVEBG-AWEZNQCLSA-N 382.243 4.196 0 1 GIAF O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(NC2CCCCC2)ncn1 149746236 KMCAFOMLNKKONR-UHFFFAOYSA-N 381.263 4.486 0 1 GIAF CN1C(=O)C=C[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@@H]4[C@@H]3CC[C@@H]12 169322653 RIGMJQYSJWLGJZ-GVOHNIQESA-N 386.580 4.157 0 1 GIAF COc1ccccc1[C@H]1c2ccc3[nH]c(C)c(OC)c(=O)c3c2[C@@H]2CC[C@H]1O2 238773744 MYNMNWGJFAEUKU-QYZOEREBSA-N 377.440 4.219 0 1 GIAF CN(CCCn1c(=O)sc2ccc(Br)cc21)Cc1ccccc1 299860400 GPGSXWYEYBWZFV-UHFFFAOYSA-N 391.334 4.348 0 1 GIAF COc1ccc2nc(-c3nc4nc(C)c(Br)cc4[nH]3)sc2c1 587035133 LVECJAUGDNXAJN-UHFFFAOYSA-N 375.251 4.314 0 1 GIAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587118987 VMNHLJVPUXBWRW-UHFFFAOYSA-N 379.567 4.398 0 1 GIAF Fc1ccc2[nH]cc(Cc3nc4ccc(I)cc4[nH]3)c2c1 587174398 JFJZKCUZJZTOOJ-UHFFFAOYSA-N 391.187 4.379 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3coc4cc(F)ccc34)[nH]c2c1 587174767 LYSKAXVKDXCJDF-UHFFFAOYSA-N 387.436 4.146 0 1 GIAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc4ccccc4cc3[nH]2)cc1 587228447 MEKOBXCMHVTBHO-UHFFFAOYSA-N 388.427 4.215 0 1 GIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c(F)cnc(Cl)c4[nH]3)c2)c1 587232453 UUGZOCDBEQDXLI-UHFFFAOYSA-N 394.837 4.368 0 1 GIAF C[C@]1(c2ccc(Cl)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326941 DKSRLPCRUGZLMB-UYAOXDASSA-N 384.794 4.249 0 1 GIAF COC(=O)c1sccc1-c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 587453532 TWLTXOBXJZIYFT-BFUOFWGJSA-N 396.420 4.292 0 1 GIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(Br)ccc12 587496557 IGZUVXQPOMVQGR-FQEVSTJZSA-N 398.256 4.141 0 1 GIAF CN(C)c1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569218 FXHWJHXQMBSDIP-OFNKIYASSA-N 375.424 4.335 0 1 GIAF COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587590240 BEZRPTADNIJEGV-KNQAVFIVSA-N 390.391 4.190 0 1 GIAF CC(=O)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599915 IXEAELKWQZSHGI-DENIHFKCSA-N 376.364 4.020 0 1 GIAF CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1N 587746922 IZOLAJLBAPDTJT-WYRIXSBYSA-N 393.300 4.367 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3ccnc3)cc2)N1 587754813 MVSXEGIJOMXQMX-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF COc1ccc(C=O)c(-c2nc3c(Br)cc(C)cc3[nH]2)c1OC 587787846 YOWVUAZZUGKYCL-UHFFFAOYSA-N 375.222 4.131 0 1 GIAF C[C@@H]1Nc2ccccc2C(=O)[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587791658 GWWMQCHNGBADQA-FDMGOTLNSA-N 389.268 4.015 0 1 GIAF CCc1oc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)OC 587830820 UXMLIQFOLMMRQI-VVVCHXIZSA-N 396.256 4.154 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1cccn1 587867170 XADONYHHLBSXRX-GFCCVEGCSA-N 378.354 4.066 0 1 GIAF O=C(/C=C\c1ccccc1)N1N=C(c2ccncc2)O[C@H]1c1c[nH]c2ccccc12 653720635 NJJVKCRTCMPQCH-QROQDFCZSA-N 394.434 4.496 0 1 GIAF COc1ccc(-c2n[nH]c3c2-c2cc(OC)c(OC)c(OC)c2CC3)cc1F 1857563153 NOGJDVQCSOTZHH-UHFFFAOYSA-N 384.407 4.016 0 1 GIAF O=S(=O)(Nc1cc(CCc2ccccc2)cc2cccnc12)c1ccccn1 1857567120 BBCPOWGOZQGCEI-UHFFFAOYSA-N 389.480 4.216 0 1 GIAF Cc1cc(N2CC[C@]3(CCN([C@@H](C)c4ccc5c(c4)OCCO5)C3)C2)cc(C)n1 1857604782 NYDMOOQKCUYFHM-CYFREDJKSA-N 393.531 4.133 0 1 GIAF C[C@H](CCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@@H]1O 2356344839 GOMRKSMHAWREDI-XLIFZOOWSA-N 388.545 4.014 0 1 GIAF CCOc1ccccc1NC(=O)N1CCC(n2nnc3cc(C)ccc32)CC1 1380672 BQULFGHEAXSVFX-UHFFFAOYSA-N 379.464 4.007 0 3 GIAF Cc1ccc(CNC(=O)[C@]2(C)CCN2C(=O)Cc2ccc(C(C)(C)C)cc2)cc1 61902535 BQGDUSXXBLIRTL-VWLOTQADSA-N 392.543 4.142 0 3 GIAF CCOC(=O)c1cc(C)n(CC2CCC(C(=O)Nc3nccs3)CC2)c1C 6941953 COMVTCFQZAHDLI-UHFFFAOYSA-N 389.521 4.183 0 1 GIAF O=CNc1ccc2[nH]c3cc(-c4ccccc4Cl)c4c(c3c2c1)C(=O)NC4=O 16052724 JWZVNUNTFNELHL-UHFFFAOYSA-N 389.798 4.093 0 1 GIAF in-vivo Fc1cc(COC[C@H](c2ccccc2)N2CCNCC2)cc(C(F)(F)F)c1 22926769 CWXSJSDJJDAMBU-LJQANCHMSA-N 382.401 4.008 0 1 GIAF Cc1oc(-c2ccccc2)nc1COc1ccc(C[C@@H]2SC(=O)NC2=O)cc1 26579008 RREZFAPTUNHCBM-SFHVURJKSA-N 394.452 4.123 0 1 GIAF COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-n3ccnc3)c2c1 27199339 RCJXOQVSWUVVKP-UHFFFAOYSA-N 386.242 4.117 0 1 GIAF CC[C@@H](Cc1ccc(F)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)O 28569426 RBNQEKMPXLGNDQ-AWEZNQCLSA-N 397.368 4.428 0 1 GIAF N[C@@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@@H]1c1ccc(Cl)cc1Cl 28899538 XNMANXSJGMEZSD-GDBMZVCRSA-N 391.327 4.443 0 1 GIAF COc1ccc(-n2c(=O)c3ccccc3n3c(-c4ccccc4C)nnc23)cc1 40892589 LUMMOHCMBMNJEZ-UHFFFAOYSA-N 382.423 4.017 0 1 GIAF CCCCN(CCC)c1nc(C)nc2c(-c3ccc(OC)nc3C)c(C)nn12 40940182 VXDDKEREKUNKHR-UHFFFAOYSA-N 382.512 4.137 0 1 GIAF CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(-c4cncnc4)cc32)CC1 64548619 FVJVBIJJZNFQKE-OAQYLSRUSA-N 388.540 4.139 0 1 GIAF OCc1cccc(-c2cnc3ccc(-c4cccc(OC(F)(F)F)c4)nn23)c1 82082529 CDDQEYRPVRAOED-UHFFFAOYSA-N 385.345 4.454 0 1 GIAF CS(=O)(=O)c1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1 84632009 SHAMGINNMCXAKS-UHFFFAOYSA-N 397.565 4.074 0 1 GIAF Oc1ccc(C2(c3nc4ccc(F)c(Br)c4[nH]3)CCOCC2)cc1 586913544 PTUHFEUGUNIQMU-UHFFFAOYSA-N 391.240 4.267 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 586915607 GCXHVAAWBKJMHN-BBATYDOGSA-N 376.243 4.481 0 1 GIAF CCOC(=O)[C@@H](C)c1nc2ccc(O)c3c2c(c1CC)-c1ccccc1C3=O 586989682 OUCRLVXTOHJLLL-LBPRGKRZSA-N 375.424 4.381 0 1 GIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)s1 587022881 CLNJHEXJIQTYJA-UHFFFAOYSA-N 385.371 4.447 0 1 GIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Br)nccc3[nH]2)s1 587023883 WDROEMMEDQLZCL-UHFFFAOYSA-N 396.270 4.191 0 1 GIAF COc1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cc1F 587029207 JYRCGBQMJRLQCP-UHFFFAOYSA-N 379.420 4.232 0 1 GIAF Clc1ccccc1OCc1ccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)o1 587064940 QQCFCWFRHRDSQK-UHFFFAOYSA-N 392.806 4.031 0 1 GIAF COC(=O)c1ccnc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc12 587123838 UQGJRSVYPWFZKR-UHFFFAOYSA-N 397.378 4.077 0 1 GIAF CCc1ccccc1NC(=O)c1nc2ncc(Br)c(Cl)c2[nH]1 587241212 QXAXVSFBEREVNV-UHFFFAOYSA-N 379.645 4.189 0 1 GIAF C[C@]1(c2ccc(N)c(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331551 DOJSUNWPAJEEIY-IFMALSPDSA-N 379.387 4.093 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCc3ncccc3C2)[C@H]1c1ccc(F)cc1 587350082 WOORBFLUXPJLDB-GMAHTHKFSA-N 375.399 4.213 0 1 GIAF CCOC(=O)[C@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587377187 VENUOURMHQLFII-LJQANCHMSA-N 394.254 4.308 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cccc(OC(=O)c4cccs4)c1)[C@@H](C2)C3=O 587448730 BRRUFYCXUAKPKU-HRAATJIYSA-N 392.432 4.465 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nn(-c4ccccc4)nc31)CC2=O 587474319 DYAFTHLHZKLUQU-HSZRJFAPSA-N 389.455 4.122 0 1 GIAF CN(C)c1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569216 FXHWJHXQMBSDIP-NZQKXSOJSA-N 375.424 4.335 0 1 GIAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1-c1ccccc1 587575950 HARDWAODGSKDBU-NZQKXSOJSA-N 398.418 4.496 0 1 GIAF Cn1cc([C@@H]2C[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2(C)C)cn1 587581771 MNIZEDBCUYAIBP-NVVBAYIOSA-N 390.439 4.040 0 1 GIAF CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604464 UEXJVWZAIYVCMZ-UESCSWIMSA-N 396.439 4.250 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3cn(C)nc3c2)N1 587759509 LLKVTUPONAFZGX-NSPYISDASA-N 388.284 4.273 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2cccc(C=O)c2)N1 587797827 XNEGDZWWGZRZSU-HXPMCKFVSA-N 392.268 4.229 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1ccc(F)cc1 587861228 OMKGIMQYGLFVRP-UHFFFAOYSA-N 393.340 4.469 0 1 GIAF COc1ccc(-c2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)cc1 587936089 RKDBFQXOJIULEA-UHFFFAOYSA-N 381.233 4.410 0 1 GIAF CCCc1c(O)ccc2c(-c3cnc(-c4cnc(C(=O)O)cc4C)s3)n[nH]c12 653804920 OLWSQCWDTHAOEQ-UHFFFAOYSA-N 394.456 4.413 0 1 GIAF COc1ccc(C(=O)CC(=O)CC2CCN(Cc3ccccc3)CC2)cc1OC 1772602315 WGILVPQBGLECSK-UHFFFAOYSA-N 395.499 4.148 0 1 GIAF COC(=O)c1ccc(OC)c(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)c1 1772643837 LFFPVWOJIPBJTD-QGZVFWFLSA-N 397.452 4.212 0 1 GIAF O=C1Nc2ccc(C(=O)O)cc2C1=C(c1ccccc1)c1nc2ccccc2[nH]1 1857624504 KMXYTUMWDQTWTG-UHFFFAOYSA-N 381.391 4.172 0 1 GIAF CS(=O)(=O)c1ccc(-c2oc3ccc(F)cc3c(=O)c2-c2cccnc2)cc1 603827 DGODVVMCAZOSRJ-UHFFFAOYSA-N 395.411 4.065 0 1 GIAF Cc1cc(C[C@H](N)COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)ccc1F 14961700 JOFACDZVAMLCKI-IBGZPJMESA-N 390.462 4.330 0 1 GIAF CCOC(=O)Cc1nc(-c2cc(OC)c(OC)c(OC)c2)oc1-c1ccccc1 27077930 VEFOBHASZDQGEZ-UHFFFAOYSA-N 397.427 4.140 0 1 GIAF CCSc1ncc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 28713606 CFMNRRZDZVEGLZ-UHFFFAOYSA-N 376.478 4.194 0 1 GIAF C[C@H](NC1=NC(=O)[C@](C)(c2ccc(C(C)(C)O)cc2)S1)c1ccc(F)cc1 40865925 FBIIPVOHBFGZJK-ZSEKCTLFSA-N 386.492 4.249 0 1 GIAF Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 82160089 AZSQKLAOGFPJGT-HDICACEKSA-N 378.520 4.170 0 1 GIAF CC(C)=CCc1cc2c(cc1O)Oc1c(CO)c(O)c(Cl)c(C)c1C(=O)O2 85603048 QROXSWJJYRTPRS-UHFFFAOYSA-N 390.819 4.386 0 1 GIAF biogenic Cc1nc(C(C)C)c(C(N)=O)nc1-c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 101581761 RQELPNONOIGRBZ-IYBDPMFKSA-N 395.503 4.423 0 1 GIAF CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 103897113 MCNKUBNMAINQNC-HXUWFJFHSA-N 398.478 4.129 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cc2ccccc2n1C 167133196 ZPHZFRUOGBYSMV-BEFAXECRSA-N 378.472 4.305 0 1 GIAF CC(C)[C@]12C[C@H](O)[C@](C)(O1)[C@H]1CC[C@H](C)[C@@H]1[C@H]2OC(=O)/C=C/c1ccccc1 169639849 VWHNJBKOOIZSEF-AOIXHVRESA-N 384.516 4.222 0 1 GIAF O=C(O)c1ccccc1NC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2c1ccccc1C(F)(F)F 299826462 FZHCLIBKRSBMCJ-XOIINTDNSA-N 390.361 4.281 0 1 GIAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586905820 DDGYPKHXTJGZDZ-SSDOTTSWSA-N 377.160 4.153 0 1 GIAF COc1nccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027863 TUOLUCBIEPZLRW-UAGQMJEPSA-N 396.516 4.103 0 1 GIAF Ic1c[nH]c2ncc(-c3cc4c5c(cccc5n3)CC4)cc12 587213156 OPKZUTHOSOEZHW-UHFFFAOYSA-N 397.219 4.481 0 1 GIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(Cl)nc4[nH]3)c2)c1 587231947 IUAPKAUSNVJQMN-UHFFFAOYSA-N 376.847 4.229 0 1 GIAF C[C@@]1(c2cccc(O)c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334640 JVAUHWOFYRGPNT-UGKGYDQZSA-N 379.387 4.093 0 1 GIAF Cc1nccn1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339237 FMNKPPNQGBJWFV-UNMCSNQZSA-N 380.419 4.244 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCc4cc(Br)cc(C)c41)[C@@H](C2)C3=O 587416499 CFJXLAANTHYKNU-MGPUTAFESA-N 385.257 4.355 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1ccc(OC)cc41)[C@@H](C2)C3=O 587439454 VWRRQYXEDRIKQY-SBUREZEXSA-N 375.424 4.164 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc3c(Cl)n[nH]c23)N1 587701248 AREITOMBALZIPI-ZIDLFYJRSA-N 395.663 4.137 0 1 GIAF Cc1c(C(F)(F)F)n[nH]c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587718560 IWQRBIDKQLOTDX-DAZKTRTLSA-N 392.194 4.262 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccccc3)c2)N1 587761511 VBISOBWYAMAFMI-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)o2)N1 587765986 LSBLQOGTSKJCTO-VOJFVSQTSA-N 379.273 4.405 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H]1CC[C@@]2(C)C1(C)C 587818346 QVMJKZYGOKAJNN-MEGNYISJSA-N 380.301 4.343 0 1 GIAF Cc1ccc(C(=O)O)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587827045 MYZUDVKYJLQNGZ-NSPYISDASA-N 392.268 4.393 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc(O)ccc32)N1 587834419 RWNSKNOEJHOMIU-JEOXALJRSA-N 376.269 4.408 0 1 GIAF COC(=O)c1cc2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)nc2cn1 587929490 VEJGJVUNSCGNAE-UHFFFAOYSA-N 389.411 4.096 0 1 GIAF CCNS(=O)(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1 653717541 PMIXLUXHOVWMAU-UHFFFAOYSA-N 387.549 4.342 0 1 GIAF CC(C)c1cc(O)ccc1[C@@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962664024 KHZSSICKSYKJHQ-URXFXBBRSA-N 390.483 4.252 0 1 GIAF CC[C@H](C)Oc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1Cl 962918629 IYXLSCPIPRHQMA-UTLVKMTRSA-N 377.843 4.345 0 1 GIAF C[C@]1(c2cccc(N3Cc4ccccc4C3)c2)NCCc2c(C(=O)O)cccc21 963119376 DQDVPFFSHIOYMM-RUZDIDTESA-N 384.479 4.314 0 1 GIAF CN(C)c1cccc(-c2cnc3cnc(-c4ccc(C(=O)NC5CC5)cc4)cn23)c1 1857621741 RLGPSOWKCOGARH-UHFFFAOYSA-N 397.482 4.022 0 1 GIAF COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C=C(C)[C@@H]2C)cc(OC)c1O 2356431688 ATWSXGFADLBZMD-SGTLLEGYSA-N 386.444 4.317 0 1 GIAF CC(C)C[C@@H]1NC(=O)c2ccc(Cl)cc2-n2c1nc1ccc(F)cc1c2=O 61949367 CWASGDGGYUKKEL-INIZCTEOSA-N 385.826 4.009 0 3 GIAF CCCCCNC(=O)[C@@H](C1CC1)n1c(=O)c(-c2ccccc2)nc2ccccc21 95569960 YNYROUWNIOXSMB-JOCHJYFZSA-N 389.499 4.321 0 3 GIAF Cc1cccc(C)c1NC(=O)Cn1nc(C)c2sc3ccccc3c2c1=O 6798964 LJQOEVDXEQZHEK-UHFFFAOYSA-N 377.469 4.175 0 1 GIAF CN1C(=O)[C@H](NC(=O)c2cc3ccc(-c4ccccc4)cc3[nH]2)Cc2ccccc21 13587914 YMSYUDDQGKVPSA-JOCHJYFZSA-N 395.462 4.152 0 1 GIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(Cl)c1 36464069 BPWLPKFCGOGMMN-KRWDZBQOSA-N 377.868 4.090 0 1 GIAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)c(Cl)c2)N1 39374898 CWEDPVSIJOZZDP-SJORKVTESA-N 375.255 4.251 0 1 GIAF Cn1cc(CN2CCC[C@@H](COC(c3ccccc3)c3ccccc3)C2)cn1 45167760 FEDCAJUDSUWPAP-HXUWFJFHSA-N 375.516 4.438 0 1 GIAF CC(=O)Nc1ccc(CN2C[C@@]3(CC(C)(C)Oc4ccccc43)OC2=O)cc1 45317549 XGZFQKARAMEOCQ-JOCHJYFZSA-N 380.444 4.054 0 1 GIAF Nc1[nH]nc2cccc(-c3ccc(NC(=O)Nc4cc(CO)ccc4F)cc3)c12 63298406 AYJBHLUSGLQYDG-UHFFFAOYSA-N 391.406 4.088 0 1 GIAF Cc1ccc(OC(=O)C(Br)(C(F)(F)F)C(F)(F)F)cc1C 68573959 XZBGUDIHJFVJEQ-UHFFFAOYSA-N 379.094 4.467 0 1 GIAF biogenic Fc1cccc(-c2nc(CN3CCN(C/C=C/c4ccccc4)CC3)co2)c1 72101388 FFBLBFCWGJNUDD-VMPITWQZSA-N 377.463 4.312 0 1 GIAF O=C(N1CCOCC1)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1 84671196 ABUIKYFOWXUFJZ-QGZVFWFLSA-N 396.434 4.167 0 1 GIAF CC[C@]1(C(=O)NCCc2csc(Br)c2)[C@@H](C)C1(Cl)Cl 103296653 QRHUTWNFVBWOPE-PRHODGIISA-N 385.154 4.389 0 1 GIAF O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2ccc(F)cc2F)O1 140080682 WWQYIMOINCSWFV-NHCUHLMSSA-N 376.362 4.282 0 1 GIAF Cc1ccc(-c2coc(NC3=NN(C(N)=S)[C@@H](c4ccc(C)cc4)C3)n2)cc1 169350071 UVRZADZTDSZPLU-GOSISDBHSA-N 391.500 4.374 0 1 GIAF COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 169352588 VVOONWVRIYRRAY-RANVDZQWSA-N 380.415 4.264 0 1 GIAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)cc1 299879697 LCLONUGBCWKLHY-ISTMBTKKSA-N 397.471 4.011 0 1 GIAF CCc1cc(O)nc(SCc2nc3ccc(OCc4ccccc4)cc3[nH]2)n1 586966854 PIPCILZYPSRCDK-UHFFFAOYSA-N 392.484 4.492 0 1 GIAF Cc1cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2cc1Br 587035146 OXPJFWUUCOZPKS-UHFFFAOYSA-N 390.306 4.114 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(-c3ccc(O)cc3Cl)nc2c1 587053346 CXTXWNBQOYSLML-UHFFFAOYSA-N 381.613 4.138 0 1 GIAF O=C(O)c1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587116181 RQSOYFVCAPSKFJ-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF COc1cc(N)c(I)cc1-c1nc2cc(C)c(C)cc2[nH]1 587178784 LDTDBBQUJBYYEB-UHFFFAOYSA-N 393.228 4.042 0 1 GIAF COc1cccc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c12 587239910 BHCBUMLJXHVHBN-UHFFFAOYSA-N 387.439 4.434 0 1 GIAF CCOC(=O)C[C@@]1(C2(C)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350344 RTVNHVRJNJAOMT-NZQKXSOJSA-N 398.430 4.382 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccc4OC)s1)[C@@H](C2)C3=O 587450768 KMRZQNRPTBZEDG-XOBRGWDASA-N 379.437 4.316 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)NCc1ccc(C)cc1)CC2=O 587471073 QIYOIKZQJZYLHX-HSZRJFAPSA-N 381.472 4.084 0 1 GIAF CC1(c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)COC1 587617980 SCMSBBKUTPNVDK-NZQKXSOJSA-N 388.419 4.383 0 1 GIAF COc1ccc(F)c(F)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587718532 NGMACEUNMLJKJZ-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587724562 JHCAHJACLOJYDH-XLFHBGCDSA-N 396.231 4.138 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)cn2)N1 587751847 BDVFKQXVPGQYFZ-BLVKFPJESA-N 386.268 4.398 0 1 GIAF CCCCc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587776081 WFWDRECUPBFERB-ADLMAVQZSA-N 378.289 4.344 0 1 GIAF COc1ccc2c(c1)NCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587789236 ANTNMWXOELZHFD-WLRWDXFRSA-N 391.284 4.190 0 1 GIAF COC(=O)C1(C)CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587803407 AISHDDWVPWPZJG-NVWNAPEYSA-N 384.289 4.071 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(CC(=O)O)cc2)N1 587828021 NQDHTLVBDRNWLH-WLRWDXFRSA-N 392.268 4.013 0 1 GIAF COc1ncc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1F 962638278 KWRKPNRZDBYJAS-OFNKIYASSA-N 389.474 4.066 0 1 GIAF CCCCN1C(=O)[C@H](C(C)=O)[C@@]2(NCCc3c2sc(C)c3C)c2ccccc21 963007230 HERHHAHWWOYQGX-REWPJTCUSA-N 396.556 4.106 0 1 GIAF COc1cc([C@]2(C)NCCc3c(Cl)cc(Cl)cc32)cc(OC)c1OC 963108262 NJERAWATLVKFHF-IBGZPJMESA-N 382.287 4.428 0 1 GIAF Cc1ncccc1OCc1cc2nc(C(N)=O)cc(-c3ccc(F)cc3)c2s1 1857613617 XFGLQGCIKTVKOK-UHFFFAOYSA-N 393.443 4.484 0 1 GIAF COC(=O)C1=CC=C[C@@H]2[C@]1(COC(C)=O)CC[C@H](C)[C@@]2(C)CCc1ccoc1 2356619784 SYVYRCZGWRMKCF-JIOQYBSPSA-N 386.488 4.483 0 1 GIAF CC1=C[C@H](CN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356711786 ZBKPTGUQCREXBY-BDTNDASRSA-N 395.547 4.466 0 1 GIAF CC(=O)[C@@H]1CCCN(C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)C1 11812976 UIPTYESZPAQRKK-LJQANCHMSA-N 376.456 4.054 0 3 GIAF Cn1c(=O)c2cc(NC(=O)CCc3ccccc3)ccc2n1-c1ccccc1F 61902908 MZBKDJNWYMETOA-UHFFFAOYSA-N 389.430 4.040 0 3 GIAF CS(=O)(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1 8536364 SCVJGNCJNHIZPW-UHFFFAOYSA-N 393.443 4.348 0 1 GIAF COc1ccc(CCN[C@@H]2CCCc3c2ccc(=O)n3CC=C(C)C)cc1OC 13743313 YUEBXFZUTRWBIK-HXUWFJFHSA-N 396.531 4.041 0 1 GIAF CCOC(=O)c1nc(Nc2ccc(N3CCC(C)CC3)cc2)c2c(C)noc2n1 15784202 VTDNILUFSZCNOG-UHFFFAOYSA-N 395.463 4.083 0 1 GIAF Cc1c(Br)c(=O)c(C(=O)Nc2ccccc2)c(C)n1-c1ccccc1 28767348 DLDISEQWTQYBIX-UHFFFAOYSA-N 397.272 4.469 0 1 GIAF CC(C)[C@H]1CC[C@@]2(C)CC[C@H](O)[C@@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1 36374581 BYIDNKQJXAGYPI-MBTPBRMGSA-N 386.532 4.206 0 1 GIAF Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2C(=O)N2CCCCC2)c1 82146434 IDGLRRILFCHTOE-UHFFFAOYSA-N 378.520 4.314 0 1 GIAF CCCc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCN1CCCCC1 82185961 CVKHSBUICFXJQW-UHFFFAOYSA-N 396.514 4.016 0 1 GIAF C[C@@]1(c2cccc(/C=C/C(=O)Nc3ccc(Cl)cn3)c2)CCSC(N)=N1 96174312 HEBGLNQNACCBPV-MEQKGCOVSA-N 386.908 4.054 0 1 GIAF CCc1ccc(CCOc2ccc(/C=C3\SC(=O)NC3=O)cc2Cl)nc1 96282291 UKLAFIXUMKWKSX-YVLHZVERSA-N 388.876 4.243 0 1 GIAF CCCCCCn1c(=O)cc(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc21 100643317 WQCBKSDRUBLOAQ-QZTJIDSGSA-N 396.531 4.364 0 1 GIAF O=c1cc(-c2ccccc2)oc2cc(OCCNC3CCCCC3)cc(O)c12 103290637 BAHVRONKKLSZIO-UHFFFAOYSA-N 379.456 4.467 0 1 GIAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1ccc(OCc2ccccc2)cc1 117725757 IPSHPGKRSLMFEH-HSZRJFAPSA-N 388.467 4.179 0 1 GIAF COc1ccc(COc2ccc3c(c2)cc2n3CC[C@@H]2CC(=O)O)cc1C#N 117785024 CQJMGIUYXGQKNP-OAHLLOKOSA-N 376.412 4.063 0 1 GIAF Nc1nc2ccc(Sc3nnc4ccc(-c5ccc(F)cc5)nn34)cc2s1 149756990 ADNZLWOUBQDGPQ-UHFFFAOYSA-N 394.460 4.274 0 1 GIAF CCN(CC)CCOc1ccc(-c2cc(=O)c3c(OC)cc(OC)cc3o2)cc1 169351469 MCOWAUPRWSXOSQ-UHFFFAOYSA-N 397.471 4.198 0 1 GIAF Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3O[C@@H](C)CF)c12 169708390 HBFUEXHRWJRBKF-QMMMGPOBSA-N 379.388 4.317 0 1 GIAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@@H](c2cccc(O)c2)NC(=O)N1 207158664 AUPBYLRPPIUNRA-LJQANCHMSA-N 388.452 4.172 0 1 GIAF Cc1cncc(-c2cc(Nc3nn(C)cc3C(F)(F)F)nc3[nH]cc(C#N)c23)c1 219683021 GRGHLILILXVPIC-UHFFFAOYSA-N 397.364 4.301 0 1 GIAF CC(=O)OC[C@@H]1C[C@@]2(C)[C@@H](OC(=O)C=C(C)C)CCC(C)(C)[C@@]2(C)[C@@]12CO2 238783143 HRDYCTWTALCFJU-ZBWQPJPKSA-N 378.509 4.049 0 1 GIAF CCC[C@@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](OC)c2ccccc2)cc1 299870601 WNZTYSXRFYQBCW-WTNAPCKOSA-N 385.504 4.039 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@]34CCOc3ccc(OC)cc34)nc2c1 586917267 RVVOJPFRHSSLGT-SZNDQCEHSA-N 398.846 4.219 0 1 GIAF COc1cccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 586922064 POJOSHQXYYIKCB-UHFFFAOYSA-N 378.453 4.212 0 1 GIAF FC(F)(F)c1cccnc1-c1nc2ccc(I)cc2[nH]1 587107686 FBUQNZGGCUJGGR-UHFFFAOYSA-N 389.118 4.248 0 1 GIAF O=C(/C=C\c1nc2ccc(Br)c(F)c2[nH]1)Nc1ccc(F)cc1 587167327 QGQSDWHJBUEOKD-FPLPWBNLSA-N 378.176 4.256 0 1 GIAF COc1cc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2cc1OC 587235446 NEEUDOTYFAIJGT-CHWSQXEVSA-N 375.469 4.131 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@@H]1[C@@H]3[C@@H]4C[C@H]5[C@H]3C[C@H]1[C@@H]5[C@H]42 587355215 TXTSJUMWGJETMA-UFBZHCERSA-N 388.438 4.407 0 1 GIAF CCN(CC)C(=O)Nc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587428921 NJXKFZSDLLIAMB-WZONZLPQSA-N 394.471 4.232 0 1 GIAF COc1cc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587543700 LIJMYCLSDNRNSA-RXVVDRJESA-N 398.798 4.463 0 1 GIAF CC(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577159 JHKLYERAUDUMKV-DENIHFKCSA-N 375.380 4.054 0 1 GIAF CO/C(C)=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587701334 CIPDJQCOZSJJDN-QVFBCMTPSA-N 382.195 4.430 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccccn3)nc2)N1 587773403 IHMBJVGYWZVSGJ-VOJFVSQTSA-N 399.267 4.064 0 1 GIAF CCOC(=O)CC[C@]1(Cc2ccccc2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963607778 KGQQSMADORILPS-MZNJEOGPSA-N 397.515 4.019 0 1 GIAF Cc1cc(C(=O)NCc2ccccc2)n(Cc2csc(N3CCCCC3)n2)c1 1857596131 GYJRGHHQZQHRDK-UHFFFAOYSA-N 394.544 4.222 0 1 GIAF COc1ccccc1[C@@H]1c2ccc3[nH]c(C)c(OC)c(=O)c3c2[C@H]2CC[C@H]1O2 2356686626 MYNMNWGJFAEUKU-GUDVDZBRSA-N 377.440 4.219 0 1 GIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@]1(C)CC[C@@]13CC[C@H](C[C@]12C)[C@@](O)(CO)C3 2356692508 YMOUBIDEGPSLHS-BJHNVMPZSA-N 378.553 4.076 0 1 GIAF Cc1ccccc1C[C@@]1(CO)CCCN(C(=O)c2cc(Cl)ccc2F)C1 12595873 UYOGIKDWKWMGOR-NRFANRHFSA-N 375.871 4.245 0 3 GIAF O=C(CCCN1Cc2ccccc2C1)Nc1c2c(nc3c1CCC3)CCCC2 4123834 CFUVZRLBZNKKOI-UHFFFAOYSA-N 375.516 4.184 0 1 GIAF CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N(C)C 4205007 WGMSXJCLURRXJN-IEBWSBKVSA-N 390.842 4.058 0 1 GIAF Cc1ccc2nc(C)n(C3CCN(C(=O)Cc4ccc(F)c(F)c4)CC3)c2c1 22668460 FAUKRWZSPRQIDH-UHFFFAOYSA-N 383.442 4.338 0 1 GIAF CC(C)Oc1ccc(C(=O)N(CCc2ccccc2Cl)[C@H]2CCNC2)cc1 28823600 WKBLWULSQKTKRQ-IBGZPJMESA-N 386.923 4.174 0 1 GIAF C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820870 RPHJWYNFTCSHCD-GOZZBPKESA-N 378.597 4.386 0 1 GIAF COCCn1cccc1[C@H](C)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 38479510 DZJGEWBZHPSJLI-GOSISDBHSA-N 398.528 4.111 0 1 GIAF O=S(=O)(Nc1ccccc1OCc1ccc2ccccc2n1)C(F)(F)F 40631805 GOMIGKYJOVUUSR-UHFFFAOYSA-N 382.363 4.075 0 1 GIAF C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12Cc1c(O)cc3c(c1O2)CN=C3O 43509653 ZSVLMDBFFSSVAK-HCHHHGRHSA-N 385.504 4.117 0 1 GIAF CO[C@@H]1CCCc2c1c(=O)c(C(=O)O)cn2Cc1ccc(-c2ccccc2)cc1 49072443 YTOFSRLOIAPAPB-OAQYLSRUSA-N 389.451 4.286 0 1 GIAF CC(C)NC(=O)[C@@]1(C)C[C@H]1[C@H](NC(=O)OCc1ccccc1)c1ccccc1 65731622 ONJDWAYKGBYQHM-MZKRTTBSSA-N 380.488 4.205 0 1 GIAF in-vitro COc1cc(OC)c(-c2csc(N(C)C(=O)c3ccccc3)n2)c(OC)c1 95583284 NRBOOZDYJPPSFW-UHFFFAOYSA-N 384.457 4.113 0 1 GIAF CCCCN1C(=O)CCS[C@H]1c1ccc(OCCN(C)c2ccccn2)cc1 96906202 UWUZOSGCTBWDOS-QFIPXVFZSA-N 399.560 4.361 0 1 GIAF CC[C@]1(C(=O)NCCc2csc(Br)c2)[C@H](C)C1(Cl)Cl 103296648 QRHUTWNFVBWOPE-QPUJVOFHSA-N 385.154 4.389 0 1 GIAF CCOC(=O)C1=C(C)N=C2CCCC(O)=C2[C@H]1c1coc2ccccc2c1=O 103351615 JVPYKGBIYYDDQG-IBGZPJMESA-N 379.412 4.164 0 1 GIAF COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)ccc1OC(F)F 104059873 WBFUZTMEIRMISE-INIZCTEOSA-N 390.390 4.196 0 1 GIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(C)=O 118919727 WULADFNJWJZNOF-WAFLTVCXSA-N 376.537 4.138 0 1 GIAF O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)[C@H](CF)NCC3 143507494 PHFZQICXCIRDRJ-HNNXBMFYSA-N 379.840 4.075 0 1 GIAF CCN1C(=O)c2ccccc2[S@@](=O)c2ccc(C(=O)Nc3ccccc3)cc21 169309857 HPMKECMYBOYYGF-MUUNZHRXSA-N 390.464 4.086 0 1 GIAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cc[nH]n2)n1 169700083 BDNGOKQBBAADOP-UHFFFAOYSA-N 387.418 4.483 0 1 GIAF Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c(-c2nc(C3CC3)no2)c1C 205750514 JEVCBDYTOYYRPV-QWHCGFSZSA-N 389.477 4.122 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3CC[C@]2(O)C(C)=O)C1 255269692 TVQDBRRFOFGWDS-DAEVNGOHSA-N 376.537 4.281 0 1 GIAF O=C(O)C[C@H]1CCCCN1c1nc(NCc2ccc(F)cc2)c2ccccc2n1 299820387 BDQVWOPGFIJKTN-QGZVFWFLSA-N 394.450 4.215 0 1 GIAF Cc1cc2c(Br)ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2o1 587004038 PAADIRCTLUGEGX-UHFFFAOYSA-N 395.220 4.023 0 1 GIAF FC(F)(F)c1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1Br 587086119 SOGQSRAKRGPPMY-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF Fc1cc(C(F)(F)F)ccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 587108944 DCWZXXNRLVCOBT-UHFFFAOYSA-N 379.357 4.220 0 1 GIAF Cc1c(F)ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587118506 OEVGHLALIMQQCF-UHFFFAOYSA-N 391.166 4.231 0 1 GIAF COc1ccc(-c2nc3ccc(C(C)=O)cc3[nH]2)c(I)c1 587179877 IAWWJPPKOAUZQG-UHFFFAOYSA-N 392.196 4.046 0 1 GIAF COc1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1F 587217336 CFBSXQHWQMJMEA-HXUWFJFHSA-N 375.403 4.230 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cnn(-c4ccccc4Cl)c1)[C@@H](C2)C3=O 587417676 FASFJLGLNHEWBM-BTYIYWSLSA-N 380.831 4.197 0 1 GIAF CCCCC[C@]1(CP(=O)(OC)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450959 WIBZWTQXMWPWJR-DNVCBOLYSA-N 382.393 4.248 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 587483814 DRCNTXHFNCCBMX-FIRDEBMASA-N 387.476 4.078 0 1 GIAF CCOC(=O)[C@H](Cc1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521701 FDBAELDTSMZCSZ-IFMALSPDSA-N 378.468 4.321 0 1 GIAF CCn1nc(C)c(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587699474 SMVYUOGJYLRSCG-AYVTZFPOSA-N 386.696 4.390 0 1 GIAF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1N 587746920 IZOLAJLBAPDTJT-NSPYISDASA-N 393.300 4.367 0 1 GIAF Cc1nc2ccccc2nc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587776125 BDMPETYXCLNHQU-GIGQVBGESA-N 386.268 4.463 0 1 GIAF CCOC(=O)CC1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587792712 CGJIOSRKQJNZFU-BYKITBGFSA-N 398.316 4.461 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3n[nH]cc32)N1 587795963 PGGJZBVTVKRFBV-YPMLDQLKSA-N 378.289 4.062 0 1 GIAF COc1ccc(OC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587804719 CITRMXZZXAYPMI-YPMLDQLKSA-N 380.257 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@@H](c3ccco3)C2)N1 587831021 VGEINMNJDYDCSB-MVBJNABHSA-N 392.268 4.448 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccccc2O)N1 587834955 UQYDEBCQPFYTQT-WYRIXSBYSA-N 392.268 4.316 0 1 GIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc3cc[nH]c3c2)N1 962690469 ANFISYSCNIQMSA-IRXDYDNUSA-N 378.325 4.014 0 1 GIAF CC1=C[C@H](CNC(=O)c2ccco2)[C@@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 2356368999 OLQWYJJBUJQEHD-NLWGTHIKSA-N 386.536 4.313 0 1 GIAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 2356660674 PWOLVDNLKDSJTA-ZRBLBEILSA-N 396.575 4.416 0 1 GIAF COc1cc(OC)nc(Oc2ccccc2C(=O)Oc2ccccc2Cl)n1 684956 RUMZEXZZWDEUOT-UHFFFAOYSA-N 386.791 4.159 0 3 GIAF COc1ccc([C@@H](CCN2CCCCC2)c2c(O)cc(OC)cc2OC)cc1 13661518 GGQWKKHLNJYCQA-HXUWFJFHSA-N 385.504 4.426 0 3 GIAF Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2CC2CCCCC2)cc1 61923793 QFKTVSIMNBHXAU-WXFUMESZSA-N 394.563 4.393 0 3 GIAF CCCCCCN1C[C@@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(OC)cc1 61923933 ZAUXEZACOUTYCB-DNVJHFABSA-N 398.551 4.093 0 3 GIAF CS(=O)(=O)c1ccc(-c2cc3c(cc2Cc2cccc(F)c2)OCO3)cc1 1491947 RPGGQKSUULJXGX-UHFFFAOYSA-N 384.428 4.216 0 1 GIAF COc1ccc(OC)c2c1C[C@H](CC1CCN(Cc3ccccc3)CC1)C2=O 13449441 BRORJAOLGOPAMR-IBGZPJMESA-N 379.500 4.361 0 1 GIAF COc1cc(O)c2c(c1)O[C@@H](c1ccc(OCC=C(C)C)c(OC)c1)CC2=O 14728356 QWIIYBSNKMRSLQ-LJQANCHMSA-N 384.428 4.461 0 1 GIAF biogenic CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCC(N5CCCCC5)CC4)[C@@H]3C=C12 15969578 QAWLQHTXXUNGCV-FZZWXMEGSA-N 398.591 4.171 0 1 GIAF biogenic CCC[C@@H](Cn1ccc2cc(OCCCNc3ccccn3)ccc21)C(=O)O 28469315 MWWBELOYBXUAQS-SFHVURJKSA-N 381.476 4.418 0 1 GIAF O=S(=O)(c1ccc(Cl)cc1)C1(c2cc(F)ccc2F)CCC(O)CC1 28522292 RCTIQFHQOVGEJY-UHFFFAOYSA-N 386.847 4.222 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2cc(C(F)F)nn2-c2ccc(F)c(F)c2)cc1 29411758 ANBPQQLTFPKAQO-UHFFFAOYSA-N 399.369 4.127 0 1 GIAF COc1cc(N)c(Cl)cc1NC(=O)C1CCN(C/C=C/c2ccccc2)CC1 29467534 WIMYNUUMIAQCEF-VMPITWQZSA-N 399.922 4.295 0 1 GIAF NC(=O)c1c(SCc2ccccc2Cl)nsc1Nc1ccncc1 34066281 ZAQBXBCUJGIFKY-UHFFFAOYSA-N 376.894 4.326 0 1 GIAF COc1ncc(-c2ccc(F)c(C)c2)c(N2CCC(c3[nH]cnc3C)CC2)n1 34892409 QFLBHMYSGGBXPC-UHFFFAOYSA-N 381.455 4.015 0 1 GIAF CCCCNC(=O)Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 36518290 NTNYXHSVWAFNNB-UHFFFAOYSA-N 399.874 4.484 0 1 GIAF Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@@H]2CC[C@@H](N3CCCC3)C2)cc1 45484535 RWNXKETUEWVUIP-TZIWHRDSSA-N 389.499 4.090 0 1 GIAF Cc1cc(OCCCN2CCC[C@H](N)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 49089248 NGYCNCUOXVCKSV-KRWDZBQOSA-N 396.510 4.178 0 1 GIAF Fc1cc(Cl)ccc1[C@H](c1cncnc1)N1CCN(c2ccccc2)CC1 72102078 VGLIEVGUGNTURZ-NRFANRHFSA-N 382.870 4.181 0 1 GIAF N=C(N)SCc1cc(F)ccc1Oc1cc(F)ccc1CSC(=N)N 84689683 NAGNVZUDILOUCT-UHFFFAOYSA-N 382.461 4.010 0 1 GIAF Cc1ccc(C(=O)NC2CC2)cc1-c1c(F)cn2c(C(C)(C)C)nnc2c1F 84733723 FBVGGTVULJDIKQ-UHFFFAOYSA-N 384.430 4.173 0 1 GIAF CO[C@H]1C=C[C@H]2C/C=C\C[C@H](c3ccc(Br)cc3)OC(=O)C[C@@H]1O2 96915233 UZBRBCKVYBARLH-VIKMZUAJSA-N 393.277 4.112 0 1 GIAF COc1cccc(OC)c1[C@@H]1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258963 JXOZVFVJLIGZMP-HNNXBMFYSA-N 395.377 4.466 0 1 GIAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1c[nH]c2c(Cl)cccc12 117585562 ATOZHLDEJHRYKK-UHFFFAOYSA-N 398.894 4.332 0 1 GIAF CC(C)c1cc(F)c([C@H](C)Nc2ncc(F)c(N3CCOC3=O)n2)cc1F 142096627 ALJVBVLAVRVHQW-JTQLQIEISA-N 380.370 4.147 0 1 GIAF O=C(Nc1cc(C2CCCCC2)no1)c1ccc2cc3n(c2c1)CCCNC3=O 147826491 YABZWVBXMRLPIV-UHFFFAOYSA-N 392.459 4.063 0 1 GIAF O=C(CC1CCCC1)NCCc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166991356 LVIFHPXJLGEDFG-UHFFFAOYSA-N 391.515 4.473 0 1 GIAF O=C(OCCC[18F])[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1cccc(/C=C\Br)c1)N2 169292811 VKZWZSZGPDLBNV-TWRWYTMNSA-N 395.303 4.179 0 1 GIAF COCCCOc1cccc([C@@H]2NC(=S)Nc3c2oc2c(F)cccc32)c1 299826627 QXBSEULNTNAFNO-INIZCTEOSA-N 386.448 4.377 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CCCO[C@@H]3CC)nc2c1 586907461 ATJHOFWLXCXSRT-BXUZGUMPSA-N 381.270 4.175 0 1 GIAF Nc1ccc(-c2ccc3[nH]c(C(=O)Nc4ccccc4Cl)nc3c2)cc1N 587060495 OBYDTIHPCNPFSS-UHFFFAOYSA-N 377.835 4.300 0 1 GIAF CNc1cc(Cl)ccc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587066919 JGMJWTGDMFVTJE-UHFFFAOYSA-N 380.629 4.386 0 1 GIAF Cc1cc(-c2nc3c(F)cc(F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125169 OFHSGBHYFTTYCS-UHFFFAOYSA-N 391.321 4.078 0 1 GIAF C[C@@H](Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)N(C)C 587192227 SFHQEHYINWNKDI-LBPRGKRZSA-N 390.409 4.327 0 1 GIAF O=C(O)CCN(CCc1nc2cc(Cl)c(Cl)cc2[nH]1)Cc1ccccc1 587194006 WYTJNIMMROGWBD-UHFFFAOYSA-N 392.286 4.389 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Br)ccc2OC1(C)C 587371144 ISXQWJBNTAXWAS-IBGZPJMESA-N 388.261 4.371 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O2 587388146 WXJCWDNDGYHQJA-ICSRJNTNSA-N 396.487 4.047 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(Cl)cn1)CC2=O 587462695 QSLXRVQBSDUVJL-FQEVSTJZSA-N 389.835 4.119 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1F 587470685 GNMQPBCUFPEKMO-DYESRHJHSA-N 393.455 4.028 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](C)C(=O)OCC)CC2=O 587477496 CQHOGMDMRZYART-NPMXOYFQSA-N 382.456 4.405 0 1 GIAF COc1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587546642 JUASDJKVYFLWBL-DYESRHJHSA-N 398.798 4.463 0 1 GIAF Cc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCO2 587612139 UNFSKTHQJNBSON-KNQAVFIVSA-N 376.364 4.132 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCO)(c2ccc(F)cc2)N1 587728814 FVMCQWGUJANZGE-BUXKBTBVSA-N 396.275 4.278 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2c2cncnc2)N1 587777988 KNQXJRYPOINBOA-XFHNUULXSA-N 390.300 4.466 0 1 GIAF CCOC(=O)C[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587800492 YCVNRYFRQCWTFA-FNFWKMNBSA-N 384.289 4.071 0 1 GIAF COc1ccc2[nH]c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2n1 587800606 BWMSMPYIHORRFL-NIVTXAMTSA-N 390.256 4.097 0 1 GIAF COC(=O)[C@@H]1CCC(C)(C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587808994 PPBJAOAMBWEIQH-RGIROJJOSA-N 398.316 4.317 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)CCO3)N1 587836700 XKLNVWLNGANPFY-NSPYISDASA-N 376.269 4.321 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)CN1CCCCC1 587863378 HYCDLMYFTHLHLF-AWEZNQCLSA-N 395.425 4.340 0 1 GIAF COc1ccc2cc([C@@H](C)c3nc4ccc(S(C)(=O)=O)cc4[nH]3)ccc2c1 587935759 VIEYQRVTISOTKF-CYBMUJFWSA-N 380.469 4.280 0 1 GIAF Cc1ccc(O)c([C@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)n1 961780607 WAZGMYNHUYVJKO-OAQYLSRUSA-N 395.503 4.336 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2C1(CCC(N)=S)CCCCC1 963608652 LMMSKVSSMDMTTE-VBKZILBWSA-N 376.566 4.296 0 1 GIAF COc1cc(CCC(=O)C[C@H](CC[C@@H]2C=CC=C[C@H]2C)OC(C)=O)ccc1O 2356776472 WVDQLESPUBZZMA-PBEJRMEISA-N 386.488 4.383 0 1 GIAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)CCC3=C([C@]4(C)CCCC(C)(C)C4)CC[C@H]1[C@H]32 2356805430 VILIFGZHAXVZTP-CPSAJTAXSA-N 376.493 4.498 0 1 GIAF Cc1ccc(CNC(=O)C2(NC(=O)Nc3ccc(C)cc3)CCCCC2)cc1 4965415 KKLMRCYJPSCKOZ-UHFFFAOYSA-N 379.504 4.444 0 3 GIAF COCc1cccc(-c2csc([C@@](C)(NC(C)=O)c3ccc(OC)cc3)n2)c1 61897166 IIHNVFIQGTWDTI-QFIPXVFZSA-N 396.512 4.365 0 3 GIAF CCc1nc2c(OCc3cccc(OC)c3)cccn2c1N(C)C(=O)C(C)C 61898469 FVZLVMRFMQRXQG-UHFFFAOYSA-N 381.476 4.103 0 3 GIAF O=C(c1cccc(F)c1F)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 201474566 BRCDFBDJJHKEIX-NSHDSACASA-N 375.400 4.096 0 3 GIAF O=C(c1cccc(F)c1F)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 201474597 BRCDFBDJJHKEIX-LLVKDONJSA-N 375.400 4.096 0 3 GIAF CCOc1cc(CCNC(=O)c2c(-c3ccc(F)cc3)noc2C)ccc1OC 773769 JNOKBSJJOBQTFP-UHFFFAOYSA-N 398.434 4.169 0 1 GIAF CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OCc1ccccc1 5857770 BZRPIFDSLPXSTO-YADHBBJMSA-N 394.423 4.154 0 1 GIAF COc1ccccc1N1CCN(CC[C@H](O)c2csc3ccccc23)CC1 12356220 BXLSCEOVEPCFSC-FQEVSTJZSA-N 382.529 4.156 0 1 GIAF Nc1nc(N)c(F)c(-c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)c1F 13445011 SJUWKYBAPVOBAH-UHFFFAOYSA-N 381.361 4.387 0 1 GIAF CN(C)CCNC(=O)c1cccc2nc(-c3ccccc3)c(-c3ccccc3)nc12 13586909 BGTIWYVOAYPQMG-UHFFFAOYSA-N 396.494 4.255 0 1 GIAF COc1ccc(CCn2ncc(C(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 40763199 VGHQRVRGBMBMSO-UHFFFAOYSA-N 376.243 4.067 0 1 GIAF O=C(Nc1ccccc1C(F)(F)F)c1ccc(C(F)(F)P(=O)(O)O)cc1 49050440 MFALURKNVUACQI-UHFFFAOYSA-N 395.220 4.185 0 1 GIAF COc1ccc(C(=O)N2c3ccccc3S(=O)(=O)c3ccc(Cl)cc32)cc1 72107355 FBKTYLGASSNJNO-UHFFFAOYSA-N 399.855 4.473 0 1 GIAF O=C(O)c1cn(C2CC2)c2ccc(Cc3cccc(Cl)c3F)c(O)c2c1=O 72108102 DXWVWGLHAZRMCX-UHFFFAOYSA-N 387.794 4.124 0 1 GIAF CC[C@@H]1[C@@H](C)C[C@@]2(O)C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2cccnc2)cn1 84602156 DXZAMRAYLVPTNH-XUQLDKFXSA-N 392.499 4.132 0 1 GIAF CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CCNCC3)ccc1-2 96269662 XHMVOBSFHGIYQZ-UHFFFAOYSA-N 395.532 4.051 0 1 GIAF Brc1ccc(COc2ccc([C@H](Nn3cnnc3)C3CC3)cc2)cc1 96938144 MGLVZTUERZTTFA-LJQANCHMSA-N 399.292 4.314 0 1 GIAF CC[C@@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1F 105179411 PKJZZLFLXHEXGD-OWCLPIDISA-N 384.499 4.293 0 1 GIAF O[C@@H](c1ccccc1)[C@@H]1CN(CCc2ccccc2)CC[C@@]1(O)c1ccccc1 138368582 GCIDVMBGOFFCEG-KKUQBAQOSA-N 387.523 4.172 0 1 GIAF CCC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(OC(C)C)c3)C2)cc1 169709451 WFEAIZPJJOHHQJ-UWJYYQICSA-N 397.519 4.114 0 1 GIAF CCN(CC)CCCCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 299856772 CAHWXIVPCAZWCX-UHFFFAOYSA-N 388.537 4.236 0 1 GIAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(CO)cc4[nH]3)ccc12 586918893 SFCUWHQLSZYRQB-UHFFFAOYSA-N 378.428 4.083 0 1 GIAF Cc1ccc(NC(=O)CSCCc2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 586969975 DBGKCHBKIGCQQF-UHFFFAOYSA-N 395.315 4.488 0 1 GIAF CCOc1cc(/C=C\c2nc3ccnc(O)c3[nH]2)cc(Br)c1OC 586978447 SGTJCAXFVNFTRJ-PLNGDYQASA-N 390.237 4.004 0 1 GIAF CC1(C)CC(=O)C(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)C1 586990686 NQDHNXBQIZCPGV-UHFFFAOYSA-N 399.446 4.269 0 1 GIAF CC(C)Oc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587117400 BZXCJJNRCSNJHB-UHFFFAOYSA-N 391.353 4.269 0 1 GIAF COc1cc(-c2nc3ccc(Br)cc3[nH]2)nn1-c1ccccc1F 587156357 MRLKOMAZABFANF-UHFFFAOYSA-N 387.212 4.326 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(C(=O)O)cc2[nH]1 587190555 IILGVIIXINXYNT-KRWDZBQOSA-N 381.432 4.217 0 1 GIAF O=C(N[C@@H](c1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1)c1ccccc1 587219610 OKANAFYQUWBREG-SFHVURJKSA-N 381.357 4.500 0 1 GIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(F)c(F)cc2[nH]1 587258625 PKOMICFTGAQGCW-KRWDZBQOSA-N 380.398 4.413 0 1 GIAF Cc1ccc([C@@]2(CN)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587332185 FMGQGCVAFGHIJG-FYYLOGMGSA-N 377.415 4.053 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(Br)cc(F)c41)[C@@H](C2)C3=O 587426340 BQCFOJUAJBIPLH-DJJJIMSYSA-N 389.220 4.186 0 1 GIAF COC(=O)[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587522364 FKCPQGXKGGPHQG-QHCPKHFHSA-N 375.424 4.080 0 1 GIAF Cn1ncc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587581747 MGKOHSHGCHXWLN-NZQKXSOJSA-N 386.407 4.156 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3nn(C)cc23)N1 587761140 SLYVBYOTXZQKRJ-NSPYISDASA-N 388.284 4.273 0 1 GIAF COCCOC[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792854 LQEJURAAWQRZEF-SGTLLEGYSA-N 388.321 4.027 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1c(C)noc1C 587863916 FDFUPCUBHWMYAH-UHFFFAOYSA-N 393.365 4.455 0 1 GIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2csc(Cl)c2)N1 962704118 UILYDCIMDPTAAZ-WCQYABFASA-N 379.762 4.248 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2C1(NC(=O)OC(C)(C)C)CCCC1 963610259 OSQRGLCFLMBMEA-AUUYWEPGSA-N 390.524 4.117 0 1 GIAF CCCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3c(OC)ccc(OC)c31)O[C@H](C)C2 963612715 TWGHPMGJAYGYOV-OWWKKJFISA-N 397.515 4.440 0 1 GIAF CCOC(=O)C1=C2CCCN2C(c2ccccn2)=N[C@H]1c1ccc(F)cc1Cl 1857643552 JJNCGWZAVQKKKL-IBGZPJMESA-N 399.853 4.289 0 1 GIAF O=C(CSc1nc2ccsc2c(=O)n1Cc1ccco1)c1ccccc1 2909340 AOKXZLHUJCXWPE-UHFFFAOYSA-N 382.466 4.074 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NCCCOC 4213999 MZOXLOXVPBESLM-SFTDATJTSA-N 390.524 4.252 0 1 GIAF CC(C)N(C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1)C(C)C 13529001 YHCMGBVTONMCJM-NRFANRHFSA-N 383.532 4.361 0 1 GIAF CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(OC)cc1C 13584812 LYSNALHFMZZUFA-UHFFFAOYSA-N 382.508 4.424 0 1 GIAF C[C@@H]([C@H](c1ccc2cc(OCC(C)(C)C(=O)O)ccc2c1)n1ccnc1)N(C)C 28123961 YLMRCYCGLCIPMC-HRAATJIYSA-N 395.503 4.065 0 1 GIAF COc1ccc([C@@H]2CC=CCN([C@@H](CN3CCCC3)c3ccccc3)C2=O)cc1 28383868 UUZWUUSCTGUCEH-ZEQRLZLVSA-N 390.527 4.404 0 1 GIAF Cc1c(-c2ccc(O)cc2)n(CCCCCCNCCN)c2ccc(O)cc12 29401942 OWCMHEKYWRRRPS-UHFFFAOYSA-N 381.520 4.137 0 1 GIAF O=S1(=O)N=C(N(CCCOc2ccccc2)c2ccccc2)c2ccccc21 64559207 UXJMGCHHQAJKQT-UHFFFAOYSA-N 392.480 4.111 0 1 GIAF O=C(CNc1ccc(Cl)cc1)Cn1c(-c2cscn2)nc2ccccc21 73296248 PITYBZOJUZQTJO-UHFFFAOYSA-N 382.876 4.494 0 1 GIAF COc1ccc(Oc2nc(NC3CCCCC3)nc(N3CC=CCC3)n2)cc1 82066780 QSXBCYSWMJQWTG-UHFFFAOYSA-N 381.480 4.183 0 1 GIAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C1 82152084 FYQOKOBXTONQNU-HUUCEWRRSA-N 382.483 4.223 0 1 GIAF O=S(=O)(Nc1nc(NCC2CCCCC2)nc2ccccc12)c1ccccc1 95872192 VHEYGYUKRQBSDJ-UHFFFAOYSA-N 396.516 4.423 0 1 GIAF ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@@H]4C[C@H]3[C@@H]3O[C@@H]43)[C@@]1(Cl)C2(Cl)Cl 100091860 DFBKLUNHFCTMDC-SKMVHXNXSA-N 380.913 4.481 0 1 GIAF endogenous,in-man COC(=O)c1cccc(NC(=O)N[C@H]2CC[C@@H](Oc3ccc(F)cc3)CC2)c1 101073906 SAWRONONHYMMHU-RUCARUNLSA-N 386.423 4.124 0 1 GIAF CC(=O)N1CCc2c(c3cc(Br)ccc3n2C(=O)OC(C)(C)C)C1 103255623 YPMJUHXBQIXXFD-UHFFFAOYSA-N 393.281 4.092 0 1 GIAF Cc1cccc(O)c1[C@@H](CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc2c(c1)OCO2 169296748 WICRMNZBKVGVSE-MDZRGWNJSA-N 395.499 4.456 0 1 GIAF O=C1O[C@@H](CCc2ccccc2)C(=O)[C@H]1SCc1cccc(C(F)(F)F)c1 169693689 LHGGVYPISQCFNW-FUHWJXTLSA-N 394.414 4.435 0 1 GIAF Cc1nnc2c(NC(C)C)cc(-c3cn(C(C)C)nc3Cc3ccccc3)nn12 213528208 QVETXYXWNYDEOC-UHFFFAOYSA-N 389.507 4.288 0 1 GIAF COC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CC(=O)O[C@]1(C)c1ccccc1 299831095 IVBPCTDJOHHDRE-UXHICEINSA-N 392.373 4.270 0 1 GIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 586930111 FVKOMQAZDPFCCU-UHFFFAOYSA-N 381.860 4.053 0 1 GIAF Cc1c(CNC(=O)OC(C)(C)C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987191 BJRKXZAYMHEFPN-UHFFFAOYSA-N 390.439 4.485 0 1 GIAF COc1cc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(Cl)c1O 587046405 RWRRFPKDFSIPBF-UHFFFAOYSA-N 379.125 4.011 0 1 GIAF Nc1ncnc2[nH]c(-c3cc(-c4ccccc4O)nc4c(Cl)cccc34)nc12 587082486 PSXWAOHBQZJZPJ-UHFFFAOYSA-N 388.818 4.176 0 1 GIAF CCOC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2c1 587109921 XBPCXGWRXLRBNU-UHFFFAOYSA-N 378.306 4.124 0 1 GIAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cncnc2[nH]1 587122164 SADCRQUAXCXVDS-UHFFFAOYSA-N 377.351 4.350 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(F)cc(F)c3O)nc2c1 587134334 NXNYQDWMBOJYCY-UHFFFAOYSA-N 397.175 4.153 0 1 GIAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2nc(Br)c[nH]c-2n1 587153141 WKVVQIYWOXPQHR-OAHLLOKOSA-N 398.239 4.408 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(C)cc1 587207838 XJUUQHNFQLRBAR-HNNXBMFYSA-N 390.256 4.193 0 1 GIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CNC(=O)C[C@H]32)c1 587362355 FNXSVXYNIIHKNI-YOEHRIQHSA-N 384.435 4.432 0 1 GIAF COc1cc(Br)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587378191 SKABVSSHNQKFCV-INIZCTEOSA-N 392.249 4.063 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4ccc(N)cc41)[C@@H](C2)C3=O 587434116 RKRDWKOCAWUNRA-DFBJGRDBSA-N 397.430 4.354 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCCN(C)C)c1)CC2=O 587469572 NUWUODMGXIXXAV-JOCHJYFZSA-N 383.488 4.382 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CCCOc1ccccc1C(N)=O)CC2=O 587470076 LYKXBCZORQAHPZ-HSZRJFAPSA-N 397.471 4.027 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(OCC)ccc3[nH]c1=O)CC2=O 587491447 SHSVITLMNFICSU-OAQYLSRUSA-N 393.439 4.291 0 1 GIAF CC(C)(C)OC(=O)N1CC[C@@H](F)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587507615 NNMZDBRWCHAUFB-GCJKJVERSA-N 389.467 4.248 0 1 GIAF C[C@@]1(c2ccnn2-c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578850 BKMXMOOAJIDPAS-QPPBQGQZSA-N 398.418 4.455 0 1 GIAF Cc1ccc(-c2n[nH]cc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587597920 WTWJODCZEPPUNG-AVRDEDQJSA-N 388.379 4.387 0 1 GIAF CCOC(=O)C[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599267 WTIIYHXLHDYFSX-DENIHFKCSA-N 384.428 4.092 0 1 GIAF COc1ncc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587693423 DEMGOMIYDJDYJV-XLFHBGCDSA-N 399.691 4.443 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3c(C)cccc3OC)nc2c1 587785780 GOTVZSAAXPRPNS-UHFFFAOYSA-N 389.249 4.486 0 1 GIAF COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC 587805926 ICFLBSOQAPTVFQ-DYZYQPBXSA-N 380.257 4.229 0 1 GIAF CN(C)[C@H](Cn1c(O)cc(-c2ccco2)c1O)c1cccc(Br)c1 587940441 OYWIEUFFFSGTFI-OAHLLOKOSA-N 391.265 4.225 0 1 GIAF Cc1c(F)ccc2c1[C@@](C)(c1ccccc1I)NCC2 962090179 GZQHGNOFNVSXBB-QGZVFWFLSA-N 381.232 4.148 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)N(C)[C@H](C)C2 962632521 RSARVKIQNGJXPH-HLFMIMNKSA-N 392.540 4.099 0 1 GIAF CCc1ccccc1[C@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963154362 XDVLRYZTKBHOHR-CVEARBPZSA-N 388.489 4.041 0 1 GIAF CN1C(=O)c2cccc3c(NS(=O)(=O)c4cccc(Cl)c4F)ccc1c23 1857561035 DVGIMOSZPDTCDF-UHFFFAOYSA-N 390.823 4.023 0 1 GIAF O=C(Nc1ccc(F)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1)N1CCCC1 1857610355 URTYCRMPHJCWOH-UHFFFAOYSA-N 393.344 4.411 0 1 GIAF CC(=O)Nc1ccc2c(c1)[C@@H](Nc1ccc(Cl)cc1)CCc1nnc(C)n1-2 1857613441 NLKWJHNECYKRTA-SFHVURJKSA-N 381.867 4.287 0 1 GIAF CC(C)[C@]12C=C3[C@@H](C[C@@H]1OC(C)(C)O2)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@H]3O 2356490128 XVQABXWHRIIOBL-HOYSLMHPSA-N 392.536 4.141 0 1 GIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@H]12)[C@H]1O[C@H]3C[C@H]1C(=O)O 2356798139 OXLSIZDDPLIXST-VFRORHNSSA-N 388.504 4.262 0 1 GIAF COc1ccc(CNC(=O)C23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1 13129003 GXFDPKYQCODDDQ-MYMYQCDVSA-N 378.310 4.045 0 1 GIAF CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)CC(=O)C=C3[C@]12C 13437047 RACYWTTYSJTPOV-TUJRATNISA-N 384.516 4.431 0 1 GIAF biogenic,in-vitro S=C(NCc1ccccc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 13528842 ZWPFOQMPRQZAOR-UHFFFAOYSA-N 396.947 4.085 0 1 GIAF CCCCCCOc1c(OC)cc(C(=O)OCCCCN(C)C)cc1OC 13741646 OZBASAFJHGEYEN-UHFFFAOYSA-N 381.513 4.162 0 1 GIAF CCCc1nc(-c2ncn3c2CN=C(c2ccccc2)c2c(F)cccc2-3)no1 26382218 IQZSNCDTGSLUIQ-UHFFFAOYSA-N 387.418 4.365 0 1 GIAF COc1cc(CCCN2CCOCC2)cc2cc(-c3ccc4c(c3)OCO4)oc12 66098504 IPXLWNHQGOPTBT-UHFFFAOYSA-N 395.455 4.102 0 1 GIAF C[C@@H]1C(=O)[C@H](C)[C@@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 71317548 FZHGLOCDHOYYLD-WKZKVMAPSA-N 387.483 4.049 0 1 GIAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C21CCSCC1 72181538 YAGLTDOTGUWDOZ-UHFFFAOYSA-N 392.524 4.271 0 1 GIAF c1ccc(-c2cnc(-c3cnc(N4CCOCC4)nc3-c3ccco3)s2)cc1 82165766 UOOOXAZWIMFELD-UHFFFAOYSA-N 390.468 4.364 0 1 GIAF O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccn2)s1)c1ccco1 96927333 RHHZLCANIMVIGB-UHFFFAOYSA-N 375.409 4.281 0 1 GIAF Cc1cc(C)cc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1 103291359 KJLIIUDDXCDQGM-UHFFFAOYSA-N 375.472 4.229 0 1 GIAF CCC/N=c1\c(NC(=O)c2ccc(Br)o2)c(O)oc2ccccc12 103705690 AKHMCCLGRSNLRB-RGEXLXHISA-N 391.221 4.057 0 1 GIAF O=C(CC(=O)Nc1ccc(Cl)cc1C(=O)O)Nc1cccc(-c2ccoc2)c1 115030771 CGDRNLMJLIYSNA-UHFFFAOYSA-N 398.802 4.266 0 1 GIAF CN(C)Cc1ccc([C@H]2Nc3cccc4c(=O)[nH]nc(c34)[C@H]2c2ccccc2)cc1 118621875 JIVGZFFEZKZOGK-JTHBVZDNSA-N 396.494 4.283 0 1 GIAF CC1(C)NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21 143462992 IPSJXLMWYJSYIV-UHFFFAOYSA-N 375.877 4.300 0 1 GIAF O=c1c2cn[nH]c2c2ccc(-c3cccnc3Cl)cc2n1CC(F)(F)F 205038581 YTVUQGALSGNLJF-UHFFFAOYSA-N 378.741 4.156 0 1 GIAF CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2[C@H]2CCc3ccccc32)C1 206898800 ZNFVDEKYACEZDA-NRFANRHFSA-N 375.447 4.129 0 1 GIAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]23C)CO1 238738376 FZZTZQBZRHIDKL-IXSKDXOASA-N 394.552 4.471 0 1 GIAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cccnc3[nH]2)c1C=O 586967904 IKZOPPAJMUOAPV-UHFFFAOYSA-N 397.891 4.269 0 1 GIAF COC(=O)c1cccc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c12 586978131 XXDWECQXELELGO-VQHVLOKHSA-N 387.233 4.291 0 1 GIAF Brc1ccc([C@H](c2nc3cc4cn[nH]c4cc3[nH]2)N2CCCC2)cc1 586984946 QQPPSBXXIFCVHM-GOSISDBHSA-N 396.292 4.387 0 1 GIAF CC1=C(c2ccc3nc(-c4ccc5cc(Cl)ncc5c4)[nH]c3c2)NNC(=O)C1 587085170 MQGLUHNOUWXYNN-UHFFFAOYSA-N 389.846 4.187 0 1 GIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)cc2N1 587125444 FHXVSYWQPSPVTL-UPONEAKYSA-N 390.291 4.148 0 1 GIAF C[C@@H](c1nc2ccc(CO)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130638 WTDAEHLAZHZHDO-LURJTMIESA-N 376.741 4.390 0 1 GIAF Nc1cc(F)c(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)cc1N 587135737 CCIZNQNJXLMURS-UHFFFAOYSA-N 389.150 4.315 0 1 GIAF CCOC(=O)CNc1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 587227778 WTYGRTGJZXBVFP-UHFFFAOYSA-N 392.228 4.107 0 1 GIAF Cc1ccc2nc(C)c(CCc3ccc4c(O)nc(O)nc4n3)c(Cl)c2c1 587368368 IDHDEJKJCFWBML-UHFFFAOYSA-N 380.835 4.040 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1cccnc1)[C@@H](C2)C3=O 587419469 FHWRJAMVROKIFD-PGRDOPGGSA-N 377.827 4.435 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4cc(Br)ccc4NC14CC4)[C@@H](C2)C3=O 587419935 VEMXPKDWBSRSPO-VBKZILBWSA-N 398.256 4.059 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CC(=O)N(c4ccccc4)c4ccccc41)[C@@H](C2)C3=O 587434969 CEIHYYZWGOMLML-DFBJGRDBSA-N 397.430 4.407 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCN([C@H](C)c4ccccc4)[C@H](C)C1)[C@@H](C2)C3=O 587436302 PQYJUWACYFCCEB-QQIMEZCUSA-N 377.484 4.427 0 1 GIAF CCOC(=O)[C@@]1(CC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595953 MCBYULPTLRQUEN-VGSWGCGISA-N 384.428 4.092 0 1 GIAF COC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587648942 DEBBGCJULLXAKN-UHFFFAOYSA-N 397.374 4.044 0 1 GIAF CCC(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587705063 LBXDZHHPQUYSNO-CLAHSXSESA-N 382.195 4.249 0 1 GIAF CCn1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587759427 TWWMLIQTSCDCPW-MGNBDDOMSA-N 380.305 4.219 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-n3cccn3)c2)N1 587761149 SNVDAGKHDRKAHE-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccn3)nc2)N1 587773402 IHMBJVGYWZVSGJ-BBATYDOGSA-N 399.267 4.064 0 1 GIAF CCOC(=O)[C@@]1(C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797651 MRTJJZCMBWSCJQ-BUXKBTBVSA-N 398.316 4.461 0 1 GIAF CC(=O)Oc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587806885 BKVGOOBUYLPOQY-NSPYISDASA-N 392.268 4.311 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C(=O)O)N1 587825431 DFJLPCQPFQUPOD-BUXKBTBVSA-N 392.268 4.035 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(C(=O)O)cc32)N1 587827103 NQJNDNONHFNECE-APBUJDDRSA-N 390.252 4.010 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccsc2C(=O)O)N1 587846223 UMWYREJNARSAKP-PWJLMRLQSA-N 384.270 4.146 0 1 GIAF CC(=O)c1ccc(N2CCN(C(=O)c3nc4cc(Cl)ccc4s3)CC2)cc1 653848802 XDMORPQPKWSIAB-UHFFFAOYSA-N 399.903 4.115 0 1 GIAF CCOC(=O)CCC[C@]1(c2cccnc2Cl)NCCc2cc(C)c(F)cc21 962141114 BHUURAUPXWMHBC-OAQYLSRUSA-N 390.886 4.305 0 1 GIAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@@H]3c3cnc4ccccn34)C2)cc1 962648674 XYIJXVVHZMEXLB-SQJMNOBHSA-N 380.495 4.171 0 1 GIAF CC(C)NC(=O)c1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962698710 JHBXZQBTEHPJQW-PGRDOPGGSA-N 398.547 4.417 0 1 GIAF C[C@H](COCc1ccccc1)[C@@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962704879 DQKBZVIYDKYYQJ-ZMYBRWDISA-N 377.406 4.226 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2C1(NC(=O)OC(C)(C)C)CCCC1 963610265 OSQRGLCFLMBMEA-KUHUBIRLSA-N 390.524 4.117 0 1 GIAF O=C1[C@@H](N2CCC(c3ccc(O)cc3)CC2)CCN1Cc1ccc(Cl)cc1 1772588430 PNRRDRBTZYBOHX-NRFANRHFSA-N 384.907 4.026 0 1 GIAF O=C(Nc1nc(CCO)cs1)c1ccc(CNc2ccccc2Cl)cc1 1857773234 ULOUZKXADJAFCJ-UHFFFAOYSA-N 387.892 4.196 0 1 GIAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 2356407117 PZFREAYIEWBBRP-BHDDXSALSA-N 382.548 4.284 0 1 GIAF C[C@H](CCC(=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@@]21C 2356837563 LKUNZSUKADSCME-PQJUIMMASA-N 392.580 4.478 0 1 GIAF CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3csc(C(C)=O)c3)C2)cc1 12456305 ZILYISQGCVBUAI-HNNXBMFYSA-N 387.526 4.408 0 3 GIAF COc1cc([C@H]2CC(=O)Oc3cc(C)c(Cl)c(C)c32)cc(OC)c1OC 34960897 LHNIIFOVQHAFIG-CYBMUJFWSA-N 376.836 4.424 0 3 GIAF COc1cc([C@@H]2CN=C(c3ccc4c(c3)cc(C)n4C)O2)cc(OC)c1OC 3963436 KLNYYFCLIWJVBQ-FQEVSTJZSA-N 380.444 4.031 0 1 GIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCCN1CCCC1 4211886 SCKXAUKYHWIWGI-FCHUYYIVSA-N 385.552 4.303 0 1 GIAF O=c1c(-c2cccc(Cl)c2)nc2cncnc2n1Cc1ccccc1Cl 4238204 XPTNGECIDZGAFF-UHFFFAOYSA-N 383.238 4.209 0 1 GIAF CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN(C)C)cc1Cl 43072678 HHHRTHAUTLVXEZ-UHFFFAOYSA-N 394.364 4.482 0 1 GIAF COCc1cccc2[nH]c(-c3n[nH]c4ncc(-c5c[nH]c6ncccc56)cc34)nc12 72176790 ASMMZUTXVOTFEU-UHFFFAOYSA-N 395.426 4.191 0 1 GIAF COc1ccc(/N=c2\oc3ccc(O)cc3cc2C(=O)Nc2ccccn2)cc1 96286188 HILILTBWCZVNFF-GYHWCHFESA-N 387.395 4.027 0 1 GIAF COc1c(-n2cnc(C)c2)ccc2c(=O)n(CCc3cccc(Cl)c3)ccc12 103247221 ZOFFXRMCWNHNJZ-UHFFFAOYSA-N 393.874 4.400 0 1 GIAF COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(C)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC 238745829 YSYZPARABHAHEC-LOONRQLCSA-N 378.509 4.193 0 1 GIAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O 255284461 YHPFWEDUGHFFTA-HHVHONPLSA-N 384.516 4.450 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3occ4c3CCC4)nc2c1 586905620 WCRUOPNILATBKZ-UHFFFAOYSA-N 375.222 4.251 0 1 GIAF COc1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 586958691 HJQHOOFKBCRKEJ-HSZRJFAPSA-N 393.306 4.074 0 1 GIAF Brc1ccc(-c2nc(Cc3nc4cccnc4[nH]3)cs2)s1 587019839 QQCUSOAVSAAKBU-UHFFFAOYSA-N 377.292 4.496 0 1 GIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)cc2N1 587125063 PCSUGPSOSGHIEU-TVQRCGJNSA-N 378.402 4.426 0 1 GIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cc2N1 587127047 QIDYOXFLSBTGHC-YLWLKBPMSA-N 391.184 4.436 0 1 GIAF CC(C)(C)c1cccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c12 587164446 QVOQXMJCACEIJZ-UHFFFAOYSA-N 378.451 4.278 0 1 GIAF CCOC(=O)c1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1 587201558 SAEBWEDZHHBIJR-UHFFFAOYSA-N 389.496 4.321 0 1 GIAF Cc1c(Cl)cccc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276631 PEEYSOHDEVVFMH-UHFFFAOYSA-N 380.625 4.275 0 1 GIAF COc1cc(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC 587378216 SQZWVKXULQGGEU-HNNXBMFYSA-N 392.249 4.063 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CCCC[C@@H]1C(=O)O)[C@@H](C2)C3=O 587451862 RSUIHOXWCMOIAK-GSRZOBFVSA-N 392.451 4.229 0 1 GIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)cc1C 587595736 RWCJKLYHGSJYLD-NZQKXSOJSA-N 392.407 4.421 0 1 GIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587601234 ROKRXAGHJYYHAQ-REWPJTCUSA-N 392.407 4.286 0 1 GIAF C[C@@H]1C(C)(C)[C@H](C(=O)O)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587606221 CYDBFMFOIHZHMA-VMNHVBALSA-N 396.439 4.250 0 1 GIAF Cc1c(-c2ccc(F)c(Br)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587648984 FQCCOJBPIRRRII-UHFFFAOYSA-N 382.254 4.448 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)O)ccc2F)N1 587720147 RJPOGTDQVUNMJN-VPTHRUTESA-N 382.204 4.049 0 1 GIAF COc1cc2c(cc1F)[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587727477 CVFIKVUZYKYZAG-DGIBIBHMSA-N 394.259 4.460 0 1 GIAF COc1cc2c(cc1F)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587729151 GIQNRJRXGGQFPR-DGIBIBHMSA-N 394.259 4.460 0 1 GIAF CCc1nn(C)c(CC)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587753590 BFUGSHPGRLZMMD-XTZNXHDOSA-N 380.305 4.070 0 1 GIAF CCOC(=O)C[C@@]1(C2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799838 UHDPXQDNKMJCFR-BUXKBTBVSA-N 398.316 4.461 0 1 GIAF COc1cccc(OC)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805330 FYSLZDYXVCCDMO-JEOXALJRSA-N 394.284 4.403 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)O)cc2)N1 587825197 GJRGWHUJFUXBBI-XTZNXHDOSA-N 378.241 4.084 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)NCCc1cccs1 587864545 OTOXCDXSGQLDGV-UHFFFAOYSA-N 395.406 4.439 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587967993 RBKLOWNVXQOOGU-UHFFFAOYSA-N 399.560 4.433 0 1 GIAF COc1ccccc1-c1cnn(C(C)(C)C(=O)NCc2cccc(Cl)c2)c1 618008069 QJPRSGCUWZULOD-UHFFFAOYSA-N 383.879 4.264 0 1 GIAF Cc1cn(-c2ccc3c(c2)NC(=O)c2ccc(Cc4ccccc4)nc2N3)cn1 653709001 GRMCXFXAFGCXTM-UHFFFAOYSA-N 381.439 4.476 0 1 GIAF CN1CCc2c(sc(N)c2[C@@]2(C)c3ccsc3CCN2Cc2ccco2)C1 962706651 KFENAGKSETVNOM-OAQYLSRUSA-N 399.585 4.295 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@]21CN(C(=O)OC(C)(C)C)CCC[C@H]1F 963271267 TWYAXJKKCOPZOD-UZLBHIALSA-N 398.906 4.059 0 1 GIAF Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2ccccc2F)cc1 1772580430 GUIAJHQOSDSSOK-UHFFFAOYSA-N 394.475 4.147 0 1 GIAF COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OC(=O)c1ccco1 1857576323 PWVIUWXZUBOMAS-UHFFFAOYSA-N 391.379 4.382 0 1 GIAF CC[C@H](O)c1ccc(Oc2cc([C@@H](O)CC)cc(OC)c2OC)c(OC)c1 1857610466 NATQNEQRCGOPTM-HOTGVXAUSA-N 376.449 4.392 0 1 GIAF O=c1cc(-c2ccccc2)oc2cc(OC[C@@H]3CS3)cc(OC[C@@H]3CS3)c12 1857632985 ADBHQMYOHIXRRC-HZPDHXFCSA-N 398.505 4.448 0 1 GIAF O=C(O)c1csc(N2N=C(c3ccccc3)[C@@H]3CC[C@@H](C(F)(F)F)C[C@H]32)n1 1857638670 KUPZVJVBTUDADT-YRGRVCCFSA-N 395.406 4.413 0 1 GIAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCC(=O)O)[C@@H](O)C[C@@H]1O 2356345393 PWLVZSHZFIGCNL-IWFBPKFRSA-N 388.545 4.016 0 1 GIAF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@@H]2C[C@@H](O)[C@@H]1C1=C2C(=CCCC)OC1=O 2356635232 XJWHYHJLIGBXTB-IJCKYZCQSA-N 396.483 4.098 0 1 GIAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)C[C@@H]12 205210653 PBKGYORJZSMJEE-PBHICJAKSA-N 375.255 4.177 0 3 GIAF F[C@@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1OCc1nc2ccccc2[nH]1 2356299789 OJPBNURMHYOEIF-CRAIPNDOSA-N 393.384 4.321 0 1 GIAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1N(C)CCN(C)C 28243553 GQMCGDJMEUHAGU-ZWKOTPCHSA-N 386.367 4.151 0 1 GIAF O=C1Cc2ccccc2N1CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1 29563408 HCCDMOJGYYKKLX-UHFFFAOYSA-N 391.490 4.151 0 1 GIAF Cc1ccc(CNCC2(F)CCN(C(=O)c3csc4ccccc34)CC2)nc1 64549510 TXTILBTZVJQWSG-UHFFFAOYSA-N 397.519 4.339 0 1 GIAF CCCNC(=O)[C@]1(C)CCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 61926084 WPTXKUVCNXVBEI-LJQANCHMSA-N 377.941 4.202 0 3 GIAF Cn1cc(C(=O)C(=O)Nc2ccc(-n3cccc3)cc2)c2ccc(Cl)cc21 73172127 ILUGWONEGSVOBK-UHFFFAOYSA-N 377.831 4.444 0 1 GIAF CCn1c(COc2ccc(NC(=S)Nc3ccccc3)cc2)n[nH]c1=S 40953193 KNNXSVVRPUNEIP-UHFFFAOYSA-N 385.518 4.348 0 1 GIAF COC(=O)c1ccc2c(c1)C[C@@H](c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2 49032262 OFEDNGDWONMNKH-OAHLLOKOSA-N 391.452 4.192 0 1 GIAF O=C(CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCC3)c1ccc(F)cc1 144002684 CSRUCKYTDYTZMI-FGZHOGPDSA-N 378.491 4.413 0 1 GIAF c1ccc(-c2ccc(CN3CCN(c4cccc5c4OCCCO5)CC3)[nH]2)cc1 84402608 FUNCKYBIXPVXIG-UHFFFAOYSA-N 389.499 4.165 0 1 GIAF CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OC[C@H]2CC[C@@H](N)CC2)cc1 261119966 JJZTWBIDQUNODA-BGYRXZFFSA-N 392.547 4.396 0 1 GIAF OC[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 261127967 KOJVYWWELKBPMH-VOGPDBBUSA-N 376.422 4.264 0 1 GIAF Cc1cc(N2C[C@@H]3C[C@H]4CCCN4[C@H]3C2)ccc1NC(=O)c1cc(F)ccc1C 299845186 OZIJFYRIQYIVKS-WGGBDISSSA-N 393.506 4.368 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2cccs2)(C(=O)O)N1 587854825 UFZYVZCRDJAHBV-JWRXFZSFSA-N 396.281 4.177 0 1 GIAF CCOC(=O)Cc1ccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587198337 YTCYDKNUCNOAFS-GOSISDBHSA-N 389.496 4.233 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccccc1C(=O)O)O2 587385133 RKWOQEWZIUCMMW-QHCPKHFHSA-N 391.398 4.324 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc(N)cc32)N1 587746803 OAYGKZROJQTJEJ-WYRIXSBYSA-N 375.285 4.285 0 1 GIAF COc1ccccc1C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862616 RVIDNRUJIJKVQX-UHFFFAOYSA-N 376.334 4.275 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1c(F)cc(F)cc12 587571595 QRXDUBUXCXZALZ-AVRDEDQJSA-N 396.345 4.310 0 1 GIAF COC(=O)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1OC 587029648 SHKGPAXNOKOGKY-UHFFFAOYSA-N 395.440 4.061 0 1 GIAF Cc1cc2c(cc1[C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCCO2 587833762 IAEDOABUHSDNMA-WYRIXSBYSA-N 392.268 4.291 0 1 GIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CNC(=O)C[C@H]32)c1 587362139 FNXSVXYNIIHKNI-PBHICJAKSA-N 384.435 4.432 0 1 GIAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccccc2F)[C@H]1c1ccc(F)cc1 587338413 XCTUAIHHLUEDTL-SIKLNZKXSA-N 396.345 4.009 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1-c1cc4ccccc4o1)[C@@H](C2)C3=O 587430020 CUUSMOARKHHWKQ-NPMXOYFQSA-N 386.407 4.331 0 1 GIAF CCCn1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587759145 SQWRSADQPDKWCI-ZMZPIMSZSA-N 380.305 4.301 0 1 GIAF Cc1cc(Br)ccc1OCc1nc2ccnc(Br)c2[nH]1 586981452 PFKLNXPFVMFYNQ-UHFFFAOYSA-N 397.070 4.370 0 1 GIAF CC(=O)c1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 587197920 BDPDGCWOJQOXTM-UHFFFAOYSA-N 384.439 4.291 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@]1(C)CC[C@H]2C1(C)C 587827954 MGADWBINPZIUPX-WUARICJSSA-N 380.301 4.343 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](C)NC(=O)OC(C)(C)C)N1 587750640 UVNYKHCAPJXYCN-AMJWSMQMSA-N 387.293 4.077 0 1 GIAF Cc1ncc2c(n1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344596 HEXIVVSSAPSCGA-JTHBVZDNSA-N 390.414 4.220 0 1 GIAF FC(F)(F)Oc1cc2nc(C3CC4(COC4)C3)[nH]c2cc1Br 586915698 GTWJUGHSYQBOIS-UHFFFAOYSA-N 377.160 4.118 0 1 GIAF COc1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cc1F 587199045 XPAVOBYQCPXPMB-UHFFFAOYSA-N 390.418 4.236 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2ccc(F)cc12 587571136 PKKBLQPKAJAIPK-UTKZUKDTSA-N 376.343 4.111 0 1 GIAF C=C1Nn2c(nc(C(C)C)c2[C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)S1 587497948 DSZUFGPOANKLQC-MRXNPFEDSA-N 385.489 4.492 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1cnc(-c2ccco2)nc1 962378326 YHPKPJCTSMIDOB-FQEVSTJZSA-N 376.485 4.284 0 1 GIAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]2(c1ccccn1)C1CC1 962948875 BOAFCJZBDZIBIM-NRFANRHFSA-N 388.433 4.405 0 1 GIAF COC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccccc4)CC3)c2c1 13582367 GTCRIIOPGCGQMP-UHFFFAOYSA-N 391.515 4.099 0 1 GIAF Cc1cc2c(c(C)c1Br)[C@H](c1ccc3c(c1)OCO3)CC(=O)O2 13814850 DQVWTGQLVBSKIM-LBPRGKRZSA-N 375.218 4.236 0 3 GIAF aggregator O=C(CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1)NCc1ccccc1 14881320 DYKSKNKRHIWMCK-RUZDIDTESA-N 386.495 4.128 0 1 GIAF Cc1ccc2c(c1)N(CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)c1cccnc1O2 15879069 BJSBMECVEKPDDO-JFIYKMOQSA-N 393.487 4.083 0 3 GIAF NC1CCN(c2nnc(-c3ccc4[nH]cc(-c5ccccc5F)c4c3)s2)CC1 204753143 LNTZYZOAYALYHB-UHFFFAOYSA-N 393.491 4.420 0 1 GIAF COc1ccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)cc1N 1857656469 OKJJUMIJRCVAJH-UHFFFAOYSA-N 379.359 4.360 0 1 GIAF O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccccc1)C1CCNCC1 1239296219 OPVJQZLEMWBMNH-UHFFFAOYSA-N 377.410 4.492 0 1 GIAF COc1cc2c(cc1OCc1ccccc1)CCN=C2C(=O)c1ccc(O)cc1 27556907 VZWYPOHZVQHFDR-UHFFFAOYSA-N 387.435 4.208 0 1 GIAF CCCCCc1ccc(/C=C/C(=O)Nc2ccccc2OCc2nnn[nH]2)cc1 28007961 CDMNZPLOYBTLDS-CCEZHUSRSA-N 391.475 4.163 0 1 GIAF CC1(C)[C@@H](CC(=O)O)[C@@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1 28648239 FPSTULSQRYACMJ-FPOVZHCZSA-N 380.488 4.276 0 1 GIAF O=C(N1CC[C@@]2(c3c[nH]c4ncccc34)C[C@@H]12)C1(c2ccc(Cl)cc2)CC1 68197798 KXCFQRTUSWKVDX-GCJKJVERSA-N 377.875 4.191 0 1 GIAF O=C(Nc1ccccc1Br)C(Cl)(C(F)(F)F)C(F)(F)F 68574253 WIPJGWREPRNDCH-UHFFFAOYSA-N 384.501 4.490 0 1 GIAF biogenic CC(=O)N1CCC(c2nnc3c(Oc4cccc(Cl)c4C)cccn23)CC1 72108077 PASMMKLMVIXHBB-UHFFFAOYSA-N 384.867 4.209 0 1 GIAF c1ccc2c(CCNc3nccc(-c4c[nH]nc4-c4ccncc4)n3)c[nH]c2c1 72109896 UICHPPPBILRQKP-UHFFFAOYSA-N 381.443 4.065 0 1 GIAF c1nc(NCC2CC2)c2nc(C3CCCCC3)n(CCN3CCCCC3)c2n1 82180467 GLTXSGSYSYGQEZ-UHFFFAOYSA-N 382.556 4.182 0 1 GIAF Cc1ccnc(NC(=S)N2CCCN(c3cccc(C(F)(F)F)c3)CC2)c1 95568697 QXOYSVCDVRXGMN-UHFFFAOYSA-N 394.466 4.318 0 1 GIAF COC(=O)c1cccc(NC(=O)N[C@H]2CC[C@H](Oc3ccc(F)cc3)CC2)c1 103236459 SAWRONONHYMMHU-UWUNEBHHSA-N 386.423 4.124 0 1 GIAF COC(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](Oc3ccc(F)cc3)CC2)cc1 103236460 LQCBKHAUABSQEX-IZAXUBKRSA-N 386.423 4.124 0 1 GIAF Cc1c(C(=O)O)sc2ncnc(Nc3cccnc3O[C@@H](C)C(F)(F)F)c12 118739166 MOIMTYHINWJRFX-QMMMGPOBSA-N 398.366 4.166 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC/C(C)=C/C(=O)O)C(C)=CC[C@@H]2[C@]1(C)CO 238749049 MIINYRAQNGHRNA-PLJZUUASSA-N 378.509 4.110 0 1 GIAF COC(=O)[C@@]1(Cc2ccccc2C(F)(F)F)CC(=O)O[C@@]1(C)c1ccccc1 299838726 QWNMTFDNUIKFLD-VQTJNVASSA-N 392.373 4.270 0 1 GIAF COc1cc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c2cc1Cl 586970288 KONMQHIZYMJIPV-UHFFFAOYSA-N 389.908 4.448 0 1 GIAF O=C(c1ccccc1)c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1 587025536 NZPKMGBUNKOPTK-UHFFFAOYSA-N 384.511 4.226 0 1 GIAF CC(C)(C)OC(=O)NCc1nc2cccc3c2c(c1CCCC1OCCO1)CC3 587212429 JBEPHFAVBXNGLC-UHFFFAOYSA-N 398.503 4.054 0 1 GIAF Cc1c(Br)cnc2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc12 587234033 ZHEWOCUKFDUKIG-JQWIXIFHSA-N 395.301 4.190 0 1 GIAF Cc1ccc(F)c(C(=O)c2c(CO)oc3cc(Br)cnc23)c1Cl 587276932 UWPKZPHTMFZNER-UHFFFAOYSA-N 398.615 4.415 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)O)c3ccccc13)CC2=O 587475286 LIZBLUROOCHUPK-FQEVSTJZSA-N 379.412 4.091 0 1 GIAF COc1cc(OC)c2c(c1)OCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587536242 SPCHILFAEYBOOE-QHCPKHFHSA-N 380.440 4.226 0 1 GIAF CN(C)c1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569214 FXHWJHXQMBSDIP-NFBKMPQASA-N 375.424 4.335 0 1 GIAF CCCn1nc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587584233 ZBGWAGZMKFMKBE-UGKGYDQZSA-N 378.428 4.318 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cc2ccc[nH]2)[nH]1 587591645 WTIGCAYLNOOYAH-NZQKXSOJSA-N 386.407 4.342 0 1 GIAF C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652190 NYMWJSIFXAIKKO-ZDUSSCGKSA-N 384.863 4.455 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ncnc2Cl)N1 587705689 NWLVQNZSFLCUCK-QTTZVWFDSA-N 391.071 4.309 0 1 GIAF CCN(C)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587742937 VBNSMCATPGHUCH-ZMZPIMSZSA-N 378.289 4.063 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3cnn(C)c3c2)N1 587761462 UOAAGNTWKVYKHI-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)nc2)N1 587764304 DGDOJDSNBOIJFZ-CWTRNNRKSA-N 390.300 4.207 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(N3CCCC3)c2)N1 587765594 KIQCPXLXHSXZKI-CWTRNNRKSA-N 390.300 4.207 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C(C)(C)C)nc2)N1 587773841 KEQUEHGHDVATGG-MGPLVRAMSA-N 378.289 4.299 0 1 GIAF CCOC(=O)C1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CCCC1 587798041 NPDYMXYRJDZCFE-KPZWWZAWSA-N 398.316 4.461 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@]2(C(=O)O)C3(C)C)N1 587824946 DSNYMPOKHZHACI-QQHHZCALSA-N 396.300 4.229 0 1 GIAF Cc1ccc2c(c1)OC[C@@]1(CO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587832438 BSOFIGGJSMHNAX-CWTRNNRKSA-N 392.268 4.098 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc(O)ccc32)N1 587834420 RWNSKNOEJHOMIU-NSPYISDASA-N 376.269 4.408 0 1 GIAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(Br)c(C)c3[nH]2)cc1 587938326 UYMMWGRMNBIVIT-GTNSWQLSSA-N 375.266 4.480 0 1 GIAF CCCc1cccc2c(-c3cnc(-c4cnc(C(=O)OC)c(O)c4)s3)n[nH]c12 653802172 DAAQFSSMRBFMMI-UHFFFAOYSA-N 394.456 4.193 0 1 GIAF COc1ccc2c(c1OC)[C@](CC(=O)C(F)(F)F)(CC(C)C)N(C)[C@H](C)C2 962558127 AUTHNQXVLOCDCP-BFUOFWGJSA-N 387.442 4.343 0 1 GIAF COc1ccc(-c2c[nH]nc2[C@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)cc1 962621739 HURLAGZXRWHTGO-QKFKETGDSA-N 393.487 4.068 0 1 GIAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@H]2CC2(F)F)N1C(=O)c1ccccc1 963450650 VHXIMPUKHMLBHP-AYBZRNKSSA-N 396.393 4.016 0 1 GIAF CCC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(C)cc1c2=O 61921271 KCMNGDJSKHSKAL-FQEVSTJZSA-N 383.451 4.432 0 3 GIAF CN(CCCN(C)CCc1ccc(Cl)c(Cl)c1)CCCN1CCCC1 6010394 VQIKUQLDRFQUEC-UHFFFAOYSA-N 386.411 4.276 0 1 GIAF CCc1c(C)[nH]c2c1C(=O)C[C@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)C2 13471644 RORBQRBRHNFMGK-MRXNPFEDSA-N 396.506 4.365 0 1 GIAF CC(C)C(C/C=C1/C(=O)O[C@@](CO)(COC(=O)C(C)(C)C)C1(C)C)C(C)C 13583251 KJZLQHREPYKCJR-AAKHDSTQSA-N 382.541 4.135 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(CCc3ccccc3)CC1)C2 13744639 UANSVLTVARSCFF-NRFANRHFSA-N 393.527 4.404 0 1 GIAF O=C(c1ccc(O)cc1)N1CCc2c(c3ccccc3n2Cc2ccc(O)cc2)C1 14946238 JLSKKNMEDAIQEI-UHFFFAOYSA-N 398.462 4.299 0 1 GIAF Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@@H]2Cc2ccccc2)cc1 45389959 PHZKOPPXMWCTQE-NRFANRHFSA-N 393.508 4.190 0 1 GIAF COc1cc(NC(=O)[C@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)cc(OC)c1 58608784 XGMFPQAJCSHMFX-LJQANCHMSA-N 398.459 4.009 0 1 GIAF CNc1nc(NCc2cccc(C(F)(F)F)c2)nc2cc(OC)c(OC)cc12 82131538 QTMRSAUQAVHOJE-UHFFFAOYSA-N 392.381 4.320 0 1 GIAF CC(C)CN(C)c1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc(F)cc2)n1 82140528 CSAPIUVIYZWTIT-UHFFFAOYSA-N 384.499 4.247 0 1 GIAF CN(C(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F)C1CCCCC1 82151777 GYZKHRCCRTYIEA-UHFFFAOYSA-N 382.483 4.288 0 1 GIAF C[C@@H](NC1=NS(=O)(=O)c2cc(C(F)(F)F)ccc2S1)c1ccccc1 95581415 RWHQZTKODGWNDG-SNVBAGLBSA-N 386.420 4.207 0 1 GIAF Cc1ccc(O)c(C2=CC3=NNC(=O)[C@@H]3[C@H](c3cccc(Br)c3)C2)c1 102958495 GVBRBUVRHJSWLW-QFBILLFUSA-N 397.272 4.136 0 1 GIAF CC(=O)C[C@@H](c1ccc(Br)cc1)c1c(O)oc2ccccc2c1=O 103553931 UNXCWLXZWOMOLY-HNNXBMFYSA-N 387.229 4.372 0 1 GIAF COc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F 140121454 ATVCYPCFRLLEMX-UHFFFAOYSA-N 386.430 4.443 0 1 GIAF C[C@H]1c2cc(OCc3nnn[nH]3)c(Cl)c(Cl)c2C(=O)[C@@H]1C1CCCC1 169345803 WNANQMQYBCXCMU-SDBXPKJASA-N 381.263 4.192 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(OC(C)C)ccc3[nH]2)cc1 586938916 LKULYSNADGXYDN-CQSZACIVSA-N 387.505 4.094 0 1 GIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc5c(cc4[nH]3)OCO5)c2C1 587035016 SEZXBXFSEJKWLH-UHFFFAOYSA-N 399.472 4.313 0 1 GIAF O=C(O)c1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1F 587039725 FFRKAARFMBIBLT-UHFFFAOYSA-N 390.461 4.458 0 1 GIAF NS(=O)(=O)c1cccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587062712 JPNLOJBSMKCZDN-UHFFFAOYSA-N 397.887 4.122 0 1 GIAF FC1(F)Oc2cc3nc([C@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3cc2O1 587076979 QAQYBBGMRNBMIO-OAHLLOKOSA-N 377.734 4.155 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)C(F)(F)C1 587133105 XJRUYFXSWLVKNW-SSDOTTSWSA-N 393.768 4.464 0 1 GIAF N[C@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Br)cc1F 587142846 NRWIZZJPLZHVRQ-GFCCVEGCSA-N 386.627 4.500 0 1 GIAF C[C@@H](c1nc2cnncc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587200231 VKRUUHLSPDYBMQ-AWEZNQCLSA-N 399.454 4.295 0 1 GIAF CCOc1ccc([C@@]2(CCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399822 MMYLOXQGFNYQRK-JOCHJYFZSA-N 383.444 4.092 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCC(CO)CC3)cc1)CC2=O 587476498 UWBCWIQJYCGTKW-QHCPKHFHSA-N 395.499 4.260 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(-c3ccccc3OC)c1)CC2=O 587479555 ZUEPLMXWLJXBSX-HSZRJFAPSA-N 392.455 4.420 0 1 GIAF Cc1c(C(F)(F)F)n[nH]c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552986 CTOLXVGRXCPSNY-CXAGYDPISA-N 390.317 4.145 0 1 GIAF COc1nc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554394 XERHIXQRPQXRFL-VQIMIIECSA-N 383.787 4.152 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)cc(F)c12 587571654 RNCNRJJOHKIQAP-DENIHFKCSA-N 380.346 4.474 0 1 GIAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(N3C(=O)c4ccccc4C3=O)c2c1 587640605 BLPOVWKJEILJNJ-LBPRGKRZSA-N 376.412 4.269 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccccc2Cl)N1 587692599 BKYDKRWCGATNSR-VVVCHXIZSA-N 398.659 4.104 0 1 GIAF COc1ccc(OC)c(-c2nc3ccc(Br)c(C)c3[nH]2)c1OC 587791032 DZUNGBTURYLZDG-UHFFFAOYSA-N 377.238 4.327 0 1 GIAF CCC(=O)OC1=C(C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587813613 WAWYYRZTPXEGEG-BBATYDOGSA-N 382.273 4.339 0 1 GIAF COc1ccc2c(c1)OCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587832293 BGIKESQJLKRRIS-WLRWDXFRSA-N 392.268 4.157 0 1 GIAF Fc1ccc(CC2CCN(c3nc4ccncc4nc3NC3CC3)CC2)c(F)c1 653665383 MNEOPSIKQYQVRD-UHFFFAOYSA-N 395.457 4.336 0 1 GIAF Cc1ccc([C@]2(c3ccco3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1C 963219066 CMXKWOAPNKFLGT-DHLKQENFSA-N 398.462 4.335 0 1 GIAF CCOC(=O)CCCC[C@@]1(c2ccc(CC)cc2)NCCc2ccc(O)cc21 963343342 TYVFWPCKMSORAY-DEOSSOPVSA-N 381.516 4.467 0 1 GIAF CC[C@@H](C)NC(=O)c1cccnc1Nc1nc(-c2ccccc2)cc2nccn12 1772598690 WCMNSBPQFQCUSQ-OAHLLOKOSA-N 386.459 4.063 0 1 GIAF O=C(CCc1ccc2c(c1)OCO2)NCc1ccccc1-c1ccc(F)cc1 1772639733 MBGZRUKGNTUTOW-UHFFFAOYSA-N 377.415 4.470 0 1 GIAF CCOc1cc2c(cc1OC)CCN(C=O)[C@H]2CCc1c[nH]c2ccccc12 1857533907 QHONGBGYYQWCAI-NRFANRHFSA-N 378.472 4.264 0 1 GIAF COc1cc(O)c2c(c1)C=CCC[C@@H]1OC(C)(C)O[C@H]1CCC[C@H](C)OC2=O 2356551140 SDVPEAWQLMSJHY-JVPBZIDWSA-N 390.476 4.444 0 1 GIAF CC(=O)OCC=C(C)CC[C@@]1(C)[C@@H]2CCC=C(C(=O)O)[C@@]2(C)[C@@H](O)C[C@H]1C 2356580681 VESVIOLXNFMXSV-FMOVBIEQSA-N 378.509 4.110 0 1 GIAF CCOC(=O)c1cc2ccc(Cl)cc2n1S(=O)(=O)c1ccc(Cl)cc1 3654319 ADTFTWKEILGKFY-UHFFFAOYSA-N 398.267 4.362 0 1 GIAF COCC(=O)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2 3956056 MGSKSMISRGKKRO-UHFFFAOYSA-N 378.516 4.209 0 1 GIAF CCCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358367 WVPDVLABXWPBJK-OAQYLSRUSA-N 397.471 4.067 0 1 GIAF COc1ccccc1OC[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1 13579733 NWVGUDQMIURIMB-OAHLLOKOSA-N 382.287 4.282 0 1 GIAF O=C(O)C[C@](O)(CCCCCCCc1ccc(Cl)cc1Cl)C(=O)O 13758163 GCXDVRLDAYCIEZ-QGZVFWFLSA-N 377.264 4.167 0 1 GIAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C(C)(C)C=CO4 25979132 GSZRULWGAWHHRI-MOPGFXCFSA-N 394.423 4.007 0 1 GIAF biogenic CCOc1cc2c(cc1OC(C)=O)C(=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 26494534 BQBOABNOMRVZDN-MNXOULMBSA-N 386.488 4.258 0 1 GIAF COc1ccc(CNC(=O)c2ccc(C(=O)C(F)(F)C(F)(F)F)s2)cc1 29069642 XOEOCUIIYZMEPG-UHFFFAOYSA-N 393.333 4.067 0 1 GIAF CCn1c(C(=O)O)cc2ccc(OCCN(C)c3nc4ccccc4o3)cc21 71341804 VFEGAGBPFIOPOO-UHFFFAOYSA-N 379.416 4.016 0 1 GIAF CCOc1cccc(-c2nc(CN[C@@H]3CCN(Cc4ccccc4)C3)co2)c1 72186028 XCHJCARXEUDLDF-HXUWFJFHSA-N 377.488 4.104 0 1 GIAF O=C1COc2ccc(-c3cc(C(F)(F)F)nn3-c3ccc(F)cc3)cc2N1 73200566 HZOURIJYMFADDZ-UHFFFAOYSA-N 377.297 4.028 0 1 GIAF C[C@@]1(c2cc(Br)cc(CC(=O)c3ccco3)c2)CCSC(N)=N1 96174336 BWEIELYWUOOUAY-KRWDZBQOSA-N 393.306 4.134 0 1 GIAF COc1ccc2[nH]cc(C(=O)CN3CCC(Cc4ccc(F)cc4)CC3)c2c1 103228841 ULJCLXJSYUBCDV-UHFFFAOYSA-N 380.463 4.453 0 1 GIAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@@H]1COc2nc(Cl)ccc21 146655626 LFCMXCSIOASYDH-LLVKDONJSA-N 391.176 4.200 0 1 GIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cnn(-c2ccccc2)c1 166976566 LMMPJOIAPQATRY-LJQANCHMSA-N 391.471 4.143 0 1 GIAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 169723999 RSKNYKPRUPTLBG-WBVHZDCISA-N 395.858 4.442 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3c(O)cc(OC)c(CC=C(C)C)c3O2)cc1O 238737645 JXAZZATUCPCXKO-IBGZPJMESA-N 384.428 4.330 0 1 GIAF CC(C)(C)n1cc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586987592 OVSXKWFKXJSRFF-UHFFFAOYSA-N 385.423 4.476 0 1 GIAF Cc1nc2[nH]c(-c3sc(Br)nc3C)nc2cc1Br 587011732 QZRVIGWGACQKOE-UHFFFAOYSA-N 388.088 4.223 0 1 GIAF COC(=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1OC 587022112 UKHKRNHEUOUHBK-UHFFFAOYSA-N 379.441 4.072 0 1 GIAF Cc1onc(-c2nc3nc(Cl)ncc3[nH]2)c1COc1ccc(Cl)cc1 587075272 FKTYLPWDFZDZTC-UHFFFAOYSA-N 376.203 4.202 0 1 GIAF FC(F)(F)c1ccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c(C(F)(F)F)c1 587094823 IQIPIXSYHWMNKH-UHFFFAOYSA-N 398.270 4.243 0 1 GIAF FC(F)(F)c1nn(Cc2nc3ccc(Br)cc3[nH]2)c2c1CCCC2 587120131 SULDDOLBRFDYLY-UHFFFAOYSA-N 399.214 4.468 0 1 GIAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(I)cc2[nH]1 587169176 VDDWKLAUTGUMQK-SECBINFHSA-N 382.176 4.447 0 1 GIAF COc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587585771 GASKTOFRGINXMG-SIKLNZKXSA-N 377.396 4.116 0 1 GIAF CCC[C@H](C)OC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597217 UGQOBQIRQDWFIX-OSGPJOMKSA-N 384.428 4.234 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(F)F)([C@H]2CCCCC2=O)N1 587720215 SDRZZLPGJKFVAU-MIHTYCSTSA-N 390.243 4.342 0 1 GIAF C/C=C/CC[C@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803678 BFJPFGYBKDFWLS-JZIJIAHKSA-N 384.289 4.237 0 1 GIAF COC(=O)c1csc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587850337 YOQDNOSIMPBWNI-VVVCHXIZSA-N 398.297 4.234 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1csc(C)c1C 587869230 DKSDCTAASKFYGL-UHFFFAOYSA-N 381.379 4.339 0 1 GIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587927874 VNPRYGXWIYKFKL-NSHDSACASA-N 376.359 4.444 0 1 GIAF CO[C@@H](C)COC1CCC(c2nc3cc(Br)c(C)nc3[nH]2)CC1 587953093 ZIZSICIMGAQXQL-PKSQDBQZSA-N 382.302 4.107 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cnc(-c2cccc(C)c2)nc1 963604712 FDXVMPCMJJGVLD-OYHNWAKOSA-N 375.472 4.093 0 1 GIAF COc1ccc2nc(C(C)C)cc(OCC(=O)Nc3ccccc3OC)c2c1 1772587598 JNDIMFFGGIIXKK-UHFFFAOYSA-N 380.444 4.393 0 1 GIAF Cc1ccc2nc(NC(=O)c3ccc(F)cc3)c(C(=O)NC3CCCCC3)n2c1 1857605935 YLWMUNOVAAUDCT-UHFFFAOYSA-N 394.450 4.097 0 1 GIAF CCCCC[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCCCC(=O)O 2356387548 YMDDELUTDBQEMT-IWFBPKFRSA-N 382.541 4.255 0 1 GIAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCCCc4ccccc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356430170 OVHYDIJYSJGQRI-SUAPAQTQSA-N 378.512 4.476 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)CCC[C@](O)(CO)[C@@H]2[C@H]1OC(=O)C=Cc1ccccc1 2356508212 SHCWSGOALRNDNR-PJKILVJMSA-N 386.532 4.207 0 1 GIAF CNC[C@H](O)c1cc(F)c(OCc2ccccc2)c(OCc2ccccc2)c1F 13122934 RDRSHCINRMBIOP-FQEVSTJZSA-N 399.437 4.376 0 3 GIAF CC[C@@H](CO)Oc1cc(NC(=O)Cc2ccccc2F)c2ncn(C(C)C)c2c1 61949007 NPCVEQFNNZFZBF-INIZCTEOSA-N 399.466 4.087 0 3 GIAF O=S(=O)(c1ccc(F)cc1)N1CCCc2nc(-c3ccc(F)cc3)ccc21 199725802 GEINVSIJJMNBPN-UHFFFAOYSA-N 386.423 4.168 0 3 GIAF Fc1ccc2[nH]cc(C3=CCN(CCOc4cccc5c4OCCO5)CC3)c2c1 595486 ZNNDRZJROWILKJ-UHFFFAOYSA-N 394.446 4.246 0 1 GIAF O=C(NCCCN1CCC(Cc2ccc(F)cc2)CC1)NC1CCCCC1 3976327 KMMVEHIYOWBLGW-UHFFFAOYSA-N 375.532 4.102 0 1 GIAF CC(C)(C)CNc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1 13686029 SDJASAAFMKFISE-UHFFFAOYSA-N 391.519 4.483 0 1 GIAF Cc1cccc2c(NCc3ccccc3F)nc(CNC(=O)c3ccco3)nc12 14878728 REATVEPITPJMFI-UHFFFAOYSA-N 390.418 4.212 0 1 GIAF O=C(NC[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1 26186959 ZCNDXJUVYXVRNI-DEOSSOPVSA-N 398.462 4.277 0 1 GIAF O[C@H](COc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12 26981422 AQHVRKAOCNHINO-FQEVSTJZSA-N 389.495 4.101 0 1 GIAF Cn1cc([C@@H](C(=O)Nc2ccc3ccccc3c2)P(=O)(O)O)c2ccccc21 28604287 SZKMOUMPHADFFC-FQEVSTJZSA-N 394.367 4.189 0 1 GIAF COc1cc(Nc2cncc(Oc3cccc(C(C)=O)c3)n2)cc(OC)c1OC 40939197 ZFOMKICZABPNTR-UHFFFAOYSA-N 395.415 4.241 0 1 GIAF Cc1c(CN2CCN(C(=O)Nc3cccnc3)CC2)sc2cccc(F)c12 43079664 VPAHTDHHZMISGC-UHFFFAOYSA-N 384.480 4.094 0 1 GIAF NC(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc(-c2cccc3[nH]ccc23)s1 58548174 GHHOUWOEUBIUBD-GOSISDBHSA-N 395.528 4.451 0 1 GIAF CC(C)c1nnc2ccc(-c3c(-c4ccc(F)cc4F)nc4occn34)nn12 63539260 AKOITYPGORWENQ-UHFFFAOYSA-N 380.358 4.101 0 1 GIAF Cc1n[nH]c(-c2c(C)csc2NC(=O)Cc2ccc(-c3ccncc3)cc2)n1 66079863 LRMJMUNRVWCGNU-UHFFFAOYSA-N 389.484 4.393 0 1 GIAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3cccc(Cl)c3)no2)CC1 82153911 NHNFKXXQAZNZFZ-UHFFFAOYSA-N 387.789 4.439 0 1 GIAF CC(C)(C)c1cnc(CSc2cnc(NC(=O)[C@H]3CC[C@H](N)CC3)s2)o1 100372098 MFPWMKHFMBARRG-TXEJJXNPSA-N 394.566 4.177 0 1 GIAF O=C(NC(=S)N(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1 169464849 JFDJBJVFIBCSLE-UHFFFAOYSA-N 377.425 4.448 0 1 GIAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@@]12C)[C@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O 255263434 RUDATBOHQWOJDD-OLYQSXRUSA-N 392.580 4.478 0 1 GIAF O=C(CCSc1nnc(-c2ccncc2)s1)Nc1ccc(Cl)cc1 473082042 FQVNADACSBHTNC-UHFFFAOYSA-N 376.894 4.374 0 1 GIAF COc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1F 586998605 LUDLQQWEPKWYEZ-NSCUHMNNSA-N 391.196 4.372 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(C(=O)O)cc2[nH]1 587190558 IILGVIIXINXYNT-QGZVFWFLSA-N 381.432 4.217 0 1 GIAF O=C(O)CC[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353947 OHWFUSZWCBPWJP-UNMCSNQZSA-N 396.370 4.244 0 1 GIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(F)(F)F 587380454 FFEHPKBVPYZWPF-INIZCTEOSA-N 381.350 4.233 0 1 GIAF CS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587533442 TVHMPWCNHKHOBI-IBGZPJMESA-N 390.888 4.329 0 1 GIAF CN1C(=O)CS/C1=C/[C@@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587538522 PIZDKEHAWNIRBI-GSERBOKHSA-N 385.529 4.362 0 1 GIAF COc1ccccc1C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600705 PFVDTBRHFDUPED-OFNKIYASSA-N 376.408 4.364 0 1 GIAF COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587808218 PQXLBFURPNQGNK-MLCYQJTMSA-N 380.257 4.100 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccnc1OC 587863843 ATLHYBDTAQNIPQ-UHFFFAOYSA-N 391.349 4.060 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc(OC(F)F)c1 587871560 ZSENRXQMDIYIPX-UHFFFAOYSA-N 376.334 4.378 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccccc2c(=O)n1C1CC1 587872421 LIIGJWVXHSEXIT-UHFFFAOYSA-N 390.418 4.122 0 1 GIAF Cc1c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cnn1-c1ccc(F)cc1 587873813 NTRRCMQVTPSELH-UHFFFAOYSA-N 378.338 4.117 0 1 GIAF Cc1cc2c(cc1F)[C@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)O)c1)NCC2 962090482 JAVXJRDLOLXQNG-QFIPXVFZSA-N 398.865 4.446 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccc(Cl)cc2)(C2CC2)N1 963216663 CBGVOADBHWLOEL-UNMCSNQZSA-N 378.859 4.141 0 1 GIAF COc1ccc2c(c1OC)[C@H](CCO)N(C)c1c-2ccc2cc3c(cc12)OCO3 2356706228 YGIGBIIZDQJXJW-KRWDZBQOSA-N 393.439 4.126 0 1 GIAF COc1ccccc1[C@H]1C(c2ccc(F)cc2)=NN(c2ccccc2)[C@@H]1CO 13813876 CJLULYWBPPMAIF-IFMALSPDSA-N 376.431 4.203 0 3 GIAF aggregator CCCCNC(=O)c1nc2cc(C)c(C)cc2nc1-c1ccc2c(c1)OCO2 206051618 JSTRTYRMPGDTOM-UHFFFAOYSA-N 377.444 4.172 0 3 GIAF CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N1CCOCC1 4216534 VJEUMXHRVYKLRF-OALUTQOASA-N 396.890 4.352 0 1 GIAF CCc1ccc(-n2nc(C)c3c(C(=O)NCc4ccc(C)o4)cc(C)nc32)cc1 7003938 FTPCKNJMDUCGJM-UHFFFAOYSA-N 388.471 4.431 0 1 GIAF CN(Cc1ccc(C(F)(F)F)cc1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 13780504 DSMWPVUPTOYNQJ-KRWDZBQOSA-N 376.378 4.101 0 1 GIAF CC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1CC(=O)Nc1cccc(O)c1 25429448 UHBGMGYDQVLRMP-NVXWUHKLSA-N 384.451 4.048 0 1 GIAF biogenic O=S(=O)(c1ccc2ccccc2c1)n1cc(C2=CCNCC2)c2ccccc21 28129740 HNMNAGYJPITMSM-UHFFFAOYSA-N 388.492 4.408 0 1 GIAF Cc1cc2[nH]c([C@@H](O)CCCC(=O)O)c(CCc3ccccc3)c2cc1C(=O)O 29037380 RTEBOKRSBFNGPL-FQEVSTJZSA-N 395.455 4.248 0 1 GIAF CCOP(=O)(Cc1ccc(-c2nc3ccccc3c(=O)n2C)cc1)OCC 29222687 GTFJMXMWOZNWOI-UHFFFAOYSA-N 386.388 4.367 0 1 GIAF CN1CCN(C)[C@H](Cn2cc(C(=O)c3cccc4ccccc34)c3ccccc32)C1 36294561 CPHORMQWXVSQFN-FQEVSTJZSA-N 397.522 4.271 0 1 GIAF O[C@H](c1ccccc1)[C@@H]1CN(CCc2ccccc2)CC[C@@]1(O)c1ccccc1 45201808 GCIDVMBGOFFCEG-JIMJEQGWSA-N 387.523 4.172 0 1 GIAF COc1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cccc(F)c5)C[C@@H]3N4)cc2)c1 100107022 DXIQKAGUCHZAAR-QEIWAGNOSA-N 388.486 4.441 0 1 GIAF O=C(N[C@H]1CCCc2ccccc21)c1cnn2c1NC(=C1CC1)C=C2C(F)F 103115117 XMBQBGORODLEBS-INIZCTEOSA-N 382.414 4.270 0 1 GIAF COc1cc(-c2cc(=O)n3ncc(-c4nc5ccccc5o4)c3[nH]2)ccc1Cl 143150365 DMWXGEGYUAENPO-UHFFFAOYSA-N 392.802 4.160 0 1 GIAF CCOC(=O)[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@H]1C 586990441 XRANFISWLYDFCK-DOMZBBRYSA-N 387.435 4.066 0 1 GIAF FC(F)(F)c1cnc2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 587006788 PCYRUPBMADWFKQ-UHFFFAOYSA-N 382.143 4.054 0 1 GIAF Cc1cc(Cl)cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 587024402 YMJODNLMRISWHB-UHFFFAOYSA-N 398.879 4.010 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(C)nccc3[nH]2)c1 587051146 VGLUMGLXJMIRSH-BQYQJAHWSA-N 397.866 4.310 0 1 GIAF CN(C)CCOc1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120160 ABJHZKSGQDBHJK-UHFFFAOYSA-N 389.381 4.065 0 1 GIAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ncc[nH]c-2n1 587122656 VXWXSHPGCFAQQR-UHFFFAOYSA-N 377.351 4.302 0 1 GIAF CC(C)Oc1cc2nc(Cc3cc(N)ccc3F)[nH]c2cc1Br 587141268 OYDBXJWKUYLQSP-UHFFFAOYSA-N 378.245 4.425 0 1 GIAF C[C@@]1(c2nccnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327131 FDLANNOPUBYXPT-OXJNMPFZSA-N 384.794 4.249 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c3nsnc13)O2 587412879 DQZJVJYPFAXZTR-CYBMUJFWSA-N 390.262 4.051 0 1 GIAF Cn1cc([C@@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516335 RQWXAMORDKECGM-HSZRJFAPSA-N 375.424 4.002 0 1 GIAF C[C@@]1(c2ccc(OCCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522423 LSOWZGUVFXUQGD-QHCPKHFHSA-N 380.440 4.300 0 1 GIAF COc1ccc2c(c1)[C@@H](CC(=O)O)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587528045 YWMHEBFYYCDHHX-IZHWHUGBSA-N 392.451 4.397 0 1 GIAF CCCCC/C=C\c1nc2nc(O)nc(O)c2cc1Cc1ccc(O)c(OC)c1 587560004 SQCLNACIBBBGNU-FPLPWBNLSA-N 395.459 4.335 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nccn1Cc1ccccc1 587575654 GELUPFGFMSLCMN-REWPJTCUSA-N 398.418 4.340 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(N3CCCC3)c2)N1 587765592 KIQCPXLXHSXZKI-BLVKFPJESA-N 390.300 4.207 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ncc[nH]2)N1 587790599 IRIJBOACOBVPRH-BLVKFPJESA-N 386.268 4.137 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cc3ccc[nH]3)[nH]2)N1 587791285 LBHAVZRSZCBDRJ-WLRWDXFRSA-N 388.284 4.459 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)CNCC3)N1 587799492 XJWPYKUPUHPUKS-FKIZINRSSA-N 389.312 4.032 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=Cc3cc(O)ccc3OC2)N1 587836901 YMRZTDMGSLXBAS-APBUJDDRSA-N 390.252 4.345 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2nccs2)N1 587855749 VXHZHCFSNDFLCM-JDNHERCYSA-N 383.286 4.067 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C(=O)O)cn1 587860538 WLNUFDBTPNKSRE-UHFFFAOYSA-N 378.215 4.338 0 1 GIAF COc1ccc(C[C@H](C)c2nc3c(F)cnc(Br)c3[nH]2)cc1OC 587926658 MWAOWKSVUNUYKI-VIFPVBQESA-N 394.244 4.223 0 1 GIAF O=C(OP(=O)(O)OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1857575407 PHBZCWLOBUDKCB-UHFFFAOYSA-N 375.100 4.108 0 1 GIAF C[C@H](NC(=O)c1ccccc1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1 1857639526 QYJLMYYHXNEWLF-USCONSEESA-N 385.467 4.315 0 1 GIAF COc1cccc(Cn2cnc3sc(-c4ccc5n[nH]cc5c4)cc3c2=O)c1 1911573262 KVTLEWCUMJPLAT-UHFFFAOYSA-N 388.452 4.058 0 1 GIAF CCCOC(=O)[C@@H]1C(C)=CC[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)[C@H](O)[C@H](O)C[C@@]12C 2356504887 IXDOKLSVJJFDAR-XPAPJCMOSA-N 378.553 4.096 0 1 GIAF COc1ccc(CN2Cc3cnnn3-c3ccccc3[C@H]2c2ccccc2)cc1 61943122 IEQMURWJGQAPFD-XMMPIXPASA-N 382.467 4.381 0 3 GIAF COc1ccc(CN2C(=O)c3ccccc3[C@@]2(C)c2nc3ccccc3[nH]2)cc1 95566692 YLDIMGVJZOJCKO-DEOSSOPVSA-N 383.451 4.491 0 3 GIAF CC(C)(C)c1ccc([C@@H](O)c2nc(C(=O)NCc3ccccc3)cs2)cc1 205214897 SOBGATYPMNSMPJ-LJQANCHMSA-N 380.513 4.452 0 3 GIAF O=c1c2ccccc2nc(-c2ccccc2)n1-c1nnc(-c2ccc(F)cc2)o1 103206123 NHVKDAPOOULASR-UHFFFAOYSA-N 384.370 4.242 0 1 GIAF N=C1NC(c2ccc(Cl)cc2)=C(CC(=O)O)[C@H](c2ccc(Cl)cc2)N1 103262265 QPAHWASIFARXTD-INIZCTEOSA-N 376.243 4.048 0 1 GIAF C[C@@H]1CC(=O)c2c(n(-c3ccc(C(N)=O)c(NCC4CC4)c3)c3ccccc23)C1 29047732 FAPYIUJWKBVRBR-AWEZNQCLSA-N 387.483 4.316 0 1 GIAF NC(=O)[C@@H](NC(=S)Nc1ccccc1Cl)c1c(Cl)cccc1Cl 26375669 UQZDCXCJKXHNGZ-ZDUSSCGKSA-N 388.707 4.160 0 1 GIAF C[C@H](Nc1nc2cc[nH]c(=O)c2cc1-c1nc(-c2ccccc2)no1)C(C)(C)C 64549972 VPKHSUDBZGYCSR-ZDUSSCGKSA-N 389.459 4.487 0 1 GIAF CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)O 28379967 CTPREUOHTKHCHT-UHFFFAOYSA-N 386.182 4.200 0 1 GIAF COc1ccccc1-c1cc(NC=O)c2ncc(-c3cccc(C(C)=O)c3)n2c1 61930112 AABXLGHALFKKLB-UHFFFAOYSA-N 385.423 4.448 0 3 GIAF Cc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccccc3Cl)cc12 36351938 XIYWAMFWFFFEQL-UHFFFAOYSA-N 396.878 4.209 0 1 GIAF in-vivo COc1cc(-c2nc(CNCCCc3ccccc3)co2)cc(OC)c1OC 72182444 DOAJNOOQTOUWNB-UHFFFAOYSA-N 382.460 4.090 0 1 GIAF Cc1cnc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccco2)o1 82165710 ZQRHMJSXRRMTIX-UHFFFAOYSA-N 376.372 4.041 0 1 GIAF O=C(N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1)c1ccc(F)cc1F 45227219 RUFBNOWGXZBOFM-CQSZACIVSA-N 387.817 4.175 0 1 GIAF Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 254093799 RVONHYLJCYPGQH-JOCQHMNTSA-N 388.878 4.256 0 1 GIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1ccnc(-c2ccccc2F)c1 261149919 OPZHYSMIYJAGOE-FQEVSTJZSA-N 378.403 4.142 0 1 GIAF CC(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577161 JHKLYERAUDUMKV-SIKLNZKXSA-N 375.380 4.054 0 1 GIAF COc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587585770 GASKTOFRGINXMG-KNQAVFIVSA-N 377.396 4.116 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(COc1ccc3c(C)c(C)c(=O)oc3c1)O2 587410565 YGXMPITWBLBRLM-HSZRJFAPSA-N 393.439 4.103 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=N)c1cc(F)ccc1F 587867988 GFNYXSLCCSIFAW-UHFFFAOYSA-N 382.292 4.124 0 1 GIAF CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438437 OFSHZMQIJCQINS-IVZQSRNASA-N 391.423 4.150 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](NC(=O)OC(C)(C)C)C1)CC2=O 587470447 NHIRBPKPXHGXOO-ZSEKCTLFSA-N 375.465 4.126 0 1 GIAF O=C(Nc1ccc(-c2nc3ncncc3[nH]2)cc1)c1ccc(Br)cc1 586984817 UXUKVMDWIJGNEP-UHFFFAOYSA-N 394.232 4.035 0 1 GIAF Clc1nccc(-c2nc3cc(Br)ncc3[nH]2)c1Br 586978859 AAQQKEMWCDLVAN-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc3ccccc3n2C)N1 587757601 OXGLSXCTMOVSGQ-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF Cn1nccc1[C@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586988086 YFAYPFSSRJPCJD-OAHLLOKOSA-N 381.435 4.354 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587599125 VRWALFUGNLBBFJ-AFCCGETMSA-N 396.439 4.092 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1cccc(Cl)c1C)[C@@H](C2)C3=O 587420898 JNCFVVTYZCVBKG-LHSJRXKWSA-N 385.847 4.192 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)O)ccc2F)N1 587720146 RJPOGTDQVUNMJN-PWJLMRLQSA-N 382.204 4.049 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C3(C)COC3)cc2)N1 587836905 YNJRIAUQCPPXLD-BLVKFPJESA-N 390.296 4.500 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCO)(c2ccc(F)cc2)N1 587728818 FVMCQWGUJANZGE-CWTRNNRKSA-N 396.275 4.278 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3cnn(C)c23)N1 587761769 VTWQAVQDWIYNFF-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccccc3c2=O)N1 587844305 XDMUPPDWCGBSNB-MLCYQJTMSA-N 388.236 4.318 0 1 GIAF COc1ccc2c(c1OC)[C@]1(CC[C@H](c3ccccc3)C[C@H]1CN)N(C)[C@H](C)C2 962642699 ZNBLBGPBFROSOS-WPLIGNBTSA-N 394.559 4.318 0 1 GIAF CCN(CC)C(=O)Nc1cccc2c1C(=O)c1c(-c3ccc(OC)cc3)n[nH]c1-2 13492139 IZCPPUINMPYRNE-UHFFFAOYSA-N 390.443 4.170 0 1 GIAF COc1cc(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)c(OC)cc1O 15150823 SHCMKWXVHLOSIU-UHFFFAOYSA-N 396.395 4.073 0 1 GIAF biogenic,in-vitro CCCC[C@H](C(=O)N(C)c1cccc(OC)c1)[C@@H](O)c1ccc(C(C)=O)cc1 203466810 AFFIXIYYCMJKBT-VXKWHMMOSA-N 383.488 4.401 0 3 GIAF N[C@H](c1csc(Nc2cc(NCc3ccco3)ncn2)n1)C1CCCCC1 1857587211 HTBNSOJDKQHPOF-SFHVURJKSA-N 384.509 4.462 0 1 GIAF COc1ccc(C(/C=C/CN2CCC[C@H](C(=O)O)C2)c2ccc(OC)cc2)cc1 1857770698 DFFBTJCCAWNPCR-XXIDSNJLSA-N 395.499 4.189 0 1 GIAF CCCCc1c(N(C)C)c(OC(C)=O)c(-c2cn(C)c3ccccc23)oc1=O 1860369 XWGSXULMWZLITF-UHFFFAOYSA-N 382.460 4.132 0 1 GIAF C[C@@H](Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Br)cc1 1911580597 XIDGBOASHAHDSO-LBPRGKRZSA-N 376.250 4.038 0 1 GIAF O=C(C1CC1)[C@@H](c1ccccc1F)N1C(=O)S/C(=C\c2ccc(O)cc2)C1=O 103264299 XGAKNQQNYMJIMZ-UWKDKTGGSA-N 397.427 4.288 0 1 GIAF CCOc1cc2nnnc(Nc3ccc(OC(F)(F)F)cc3)c2cc1OC 103295871 DTSYBZVTAOWBSA-UHFFFAOYSA-N 380.326 4.074 0 1 GIAF CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)CC[C@H]1CCCN1 114100737 ABLDVVNJTBLJAP-QGZVFWFLSA-N 394.943 4.018 0 1 GIAF COc1ccc(OCCCN(C)C)c([C@@H]2Sc3ccccc3N2C(C)=O)c1 27995881 FXTZEUVNMZAREE-NRFANRHFSA-N 386.517 4.183 0 1 GIAF COc1ccc(Cl)cc1-c1cc(C(=O)NCc2cccc(Cl)c2)[nH]n1 61908769 CMYXFPSPHBCEGV-UHFFFAOYSA-N 376.243 4.322 0 3 GIAF Cc1ncc([C@H](CCCCCCc2ccc3c(n2)NCCC3)CC(=O)O)cn1 1553308 NJDBZBVQIMZWPP-GOSISDBHSA-N 382.508 4.290 0 1 GIAF biogenic CC1(C)OC[C@@H]([C@]2(C)C=C3CC[C@@H]4[C@@](C)(C[C@H](O)C[C@@]4(C)CO)[C@H]3CC2)O1 85509856 RFVIIASIYASSNN-YYXSXRTQSA-N 378.553 4.050 0 1 GIAF biogenic,in-vitro CCN(C)c1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccccc2)n1 82133658 NGDRSIVINSXBCR-UHFFFAOYSA-N 380.879 4.183 0 1 GIAF C[C@@H]1CC[C@@H]2[C@@]3(C)COC(C)(C)O[C@H]3CC[C@@]2(C)[C@]12CC[C@]1(COC(=O)C1)O2 82077842 MFCIMOFKLLMGJA-MVPFZXTPSA-N 392.536 4.225 0 1 GIAF Cc1cccnc1CN1CCC2(CC1)CCN(c1ccc(OC(C)C)cc1)C2=O 96286140 VLNZDYWRAHVWHB-UHFFFAOYSA-N 393.531 4.196 0 1 GIAF CC(=O)OC/C(=C\C(=O)O)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)CCC[C@@]12C 238770843 OEWYXUOBTOXNMX-AFPPAKIZSA-N 378.509 4.112 0 1 GIAF CC(C)CCN(CCCN)c1cccc2ccc(-c3nnc4ccccn34)nc12 96174952 JVJPYYIBTFDZRE-UHFFFAOYSA-N 388.519 4.146 0 1 GIAF O=C(O)CCC/C=C/C[C@H]1[C@H](CCNC(=O)Nc2ccccc2)[C@H]2CC[C@H]1O2 253635428 QDCBWGKZRZYILC-ZNIFTXGVSA-N 386.492 4.193 0 1 GIAF Nc1cccnc1C(=O)Nc1ccc(N2CC3(CCCCC3)CC2=O)c(Cl)c1 653849285 LJJDQIXCCNCEGV-UHFFFAOYSA-N 398.894 4.257 0 1 GIAF CCOC(=O)[C@H](C)Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 653803293 NECJZYLZAOCUBL-CQSZACIVSA-N 393.405 4.377 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Br)o1 587869498 KVKUZKTWTHPQRX-UHFFFAOYSA-N 379.185 4.132 0 1 GIAF COc1cc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1C 587112071 GPCTYEGTCMPZMU-LJQANCHMSA-N 391.393 4.298 0 1 GIAF Clc1cc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2cn1 587017069 HSVBTZQHTBVXMP-UHFFFAOYSA-N 378.848 4.449 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(Cl)cnc3[nH]2)cc1 586948712 LHDUZEAYLSXOPL-UHFFFAOYSA-N 398.875 4.388 0 1 GIAF Cc1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 586958524 FNRNXKFNBWNETF-QFIPXVFZSA-N 377.307 4.374 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)c(F)cc1F)O2 587381916 NHPDQAJAOJGTIY-QGZVFWFLSA-N 382.204 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)O)ccc2F)N1 587715440 HSYGHGYUTAEFAW-VPTHRUTESA-N 382.204 4.049 0 1 GIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587811341 ZAQPWXIOTBHQQK-WLRWDXFRSA-N 394.284 4.403 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCCC(=O)O)(c1ccc(Cl)s1)O2 587409856 JTGGLHCZIAJDKJ-GOSISDBHSA-N 379.865 4.408 0 1 GIAF Brc1ccc2cc(-c3nc4c(Br)ccnc4[nH]3)cn2c1 587007318 ZWCFCTSPMKVWQH-UHFFFAOYSA-N 392.054 4.403 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCNC(=O)C2CCCC2)N1 587753044 FPUSHSIAGPLJNP-WBMJQRKESA-N 397.332 4.250 0 1 GIAF CSc1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 587019026 DCWLGWUIAGUEEW-UHFFFAOYSA-N 396.497 4.290 0 1 GIAF O=C(/C=C/c1nc2ccc(Br)c(F)c2[nH]1)Nc1ccc(F)cc1 587167326 QGQSDWHJBUEOKD-BQYQJAHWSA-N 378.176 4.256 0 1 GIAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602937 KBNYLSVQWQCDBM-IMLJYELXSA-N 394.423 4.004 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCCN(C(=O)OC(C)(C)C)[C@@H]1C)CC2=O 587477393 XTZQWELGJTTYTA-JLCFBVMHSA-N 389.492 4.468 0 1 GIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(F)c3[nH]2)C[C@@H]2CCCC[C@@H]21 586961238 QPZYOMBCQZEYEA-JVPBZIDWSA-N 399.491 4.397 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(O)cc(CC)n1 587860544 WPOYMCNUZNYSFQ-UHFFFAOYSA-N 379.247 4.303 0 1 GIAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(C(=O)c4ccccc4)cc3[nH]1)C2 587245871 AAGNUMDMUIXSBP-RUZDIDTESA-N 397.478 4.145 0 1 GIAF CCCCCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593096 BYQOCNPQCNURIN-DENIHFKCSA-N 384.428 4.236 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C(F)(F)F)ccn1 587868763 RVSZGBYVNXLKLF-UHFFFAOYSA-N 388.271 4.376 0 1 GIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587076304 VKUPOGGCTZSTON-UHFFFAOYSA-N 378.745 4.138 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@@H]3CCCN(C)C(=O)OC(C)(C)C 963056721 LWTXZHAQXPQCTB-QGZVFWFLSA-N 385.508 4.077 0 1 GIAF CON/C=C/[C@@]1(c2ccc(OC)cc2)NCCc2cccc(-c3ccccc3)c21 962667515 OKLHVIVBRHBCRY-LEJURUINSA-N 386.495 4.416 0 1 GIAF COc1ccc(C(=O)Nc2ccccc2N(C)C(=O)c2ccc(OC)cc2)cc1 13557919 OPFLCYDCQVAGGW-UHFFFAOYSA-N 390.439 4.233 0 1 GIAF CCCN(CCC)C(=O)C[C@@H]1c2ncccc2C(=O)N1c1ccc(Cl)cc1 13759898 PUWGFVBQSMPKQO-GOSISDBHSA-N 385.895 4.475 0 1 GIAF CC1(C)CC(=O)[C@H]2[C@H](C1)Nc1ccnn1[C@@H]2c1ccc(F)c(Br)c1 169305719 IWJQDBFMIKCNGT-IAOVAPTHSA-N 392.272 4.174 0 1 GIAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NCCOc1ccccc1 4216091 YZXCGOVUBVTJMN-LEWJYISDSA-N 384.476 4.489 0 1 GIAF CN1c2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@H](CC(=O)O)c2cccn21 5811166 OPCGMOIVUPNJIJ-LJQANCHMSA-N 395.846 4.217 0 1 GIAF O=c1oc(Nc2ccccc2I)nc2ccc(Cl)cc12 13779146 BXNYJWKBNDSIMR-UHFFFAOYSA-N 398.587 4.190 0 1 GIAF C=C(CC)[C@@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(C)c(OC)cc4[C@@H]2C3=O)O1 14884393 JXJCGVQPZQIORS-NNWRFLSQSA-N 392.451 4.393 0 1 GIAF biogenic COCCSc1c(C)on(C(=O)N(c2ccc(Cl)cc2)C(C)C)c1=O 39098238 DBTWYLKRJKDWSW-UHFFFAOYSA-N 384.885 4.025 0 1 GIAF Cc1nc2ccccc2n1-c1ccc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)cc1 72126069 KEKBUHHPINWJRM-LJQANCHMSA-N 388.515 4.081 0 1 GIAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccc(F)cc2)C1 82140191 JLRPPIATZWWMLZ-HZPDHXFCSA-N 384.499 4.390 0 1 GIAF COC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1Cl 84634846 TYIAEQRPJACAIN-UHFFFAOYSA-N 388.811 4.222 0 1 GIAF COc1cc(C(=O)c2nc(-c3ccccc3)cn2C(C)C)cc(OC)c1OC 95582316 QMCRGJABQIDQGA-UHFFFAOYSA-N 380.444 4.388 0 1 GIAF Cc1cccc(C)c1NC(=O)c1cccc(N2C(=O)[C@H]3CC[C@H](C)C[C@@H]3C2=O)c1 101704389 PGQVHESPZVLJSN-GKCIPKSASA-N 390.483 4.481 0 1 GIAF CNc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2c(ccn2C)c1 115813342 HMFFWDSYKQETMG-UHFFFAOYSA-N 377.448 4.002 0 1 GIAF O=C(Nc1ccc([C@@H]2CNCCO2)cc1)c1ccc(OCc2ccccc2)cc1 117725755 IPSHPGKRSLMFEH-QHCPKHFHSA-N 388.467 4.179 0 1 GIAF Oc1cccc([C@@H](Cc2ccccc2O)N2CCN(C3CCCCC3)CC2)c1 169317915 WWRJZZHJMWHORN-HSZRJFAPSA-N 380.532 4.332 0 1 GIAF Cc1cc2c(cc1CN(C)C)CCN(C(=O)c1cc3cc(Cl)ccc3n1C)C2 299831544 CKRWGBKIBACFNV-UHFFFAOYSA-N 395.934 4.400 0 1 GIAF COc1cc(OC)c(C(=O)N(C)c2ccc(-c3cccnc3)cc2F)cc1OC 299835508 WWEHYGLGFQCKSD-UHFFFAOYSA-N 396.418 4.190 0 1 GIAF CC(C)(SCC(=O)O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586960750 XWNYONQGBCCSSX-UHFFFAOYSA-N 397.216 4.397 0 1 GIAF Clc1c(-c2nc3c(Br)ccnc3[nH]2)ccnc1Br 587005824 VHBMIVAGNFRFGO-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF FC(F)(F)c1ncc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc-2[nH]1 587074256 RIHJHHOOAHGQDK-ZDUSSCGKSA-N 381.789 4.314 0 1 GIAF CC[C@]1(c2cnn(C)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342431 NKUHTVVRXUWXIJ-IFMALSPDSA-N 380.419 4.238 0 1 GIAF CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O 587407298 ZONFRIOMDSMOKJ-VOIUYBSRSA-N 389.451 4.176 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(/C(=C/N(C)C)c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419083 CKGZBDPQHDDNIR-DRFHNYDESA-N 383.875 4.457 0 1 GIAF COc1cc2c3c(c1)O[C@](CC(C)C)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433646 SQYSXZWDHMHTHV-UMLSUDCWSA-N 389.492 4.141 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H]1CCCC[C@H]1C(=O)O)[C@@H](C2)C3=O 587451860 RSUIHOXWCMOIAK-FVJVTNMWSA-N 392.451 4.229 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(=O)OC)c3ccccc31)CC2=O 587476401 CFILAZJLTRHURI-WNSKOXEYSA-N 380.440 4.256 0 1 GIAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 587551893 KXFHYKKKCVWROM-XLIONFOSSA-N 396.830 4.210 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)c[nH]c2nccc1-2 587567286 CTIQXPGMMWBTHI-PXNSSMCTSA-N 376.343 4.062 0 1 GIAF Cc1cc(C(=O)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587718099 MLCXRVRGKVFIFH-DYZYQPBXSA-N 380.232 4.494 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccncc2)N1 587757466 VSBVNQZNSJSLFT-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nn(C)c3ccccc23)N1 587765207 RVFQMMMJUJPJGM-JEOXALJRSA-N 388.284 4.273 0 1 GIAF CC(C)Oc1ncccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587775025 YDHUKWQCEGICPK-APPDUMDISA-N 379.273 4.394 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ncon3)c2)N1 587799241 XKSQODGYTLRENK-BMLIUANNSA-N 388.240 4.262 0 1 GIAF CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CO 587801713 NBYYWMCUTRVHFO-WYRIXSBYSA-N 394.284 4.103 0 1 GIAF COc1ccc(C[C@H](C)c2nc3cc(Br)ncc3[nH]2)cc1OC 587927959 ZUGQNDQRSDGNGZ-JTQLQIEISA-N 376.254 4.084 0 1 GIAF COc1ccc(-c2nc3ncc(Cl)c(NCC4CCNCC4)c3[nH]2)c(C)c1 653798217 CKAVJHQWDXVBDG-UHFFFAOYSA-N 385.899 4.007 0 1 GIAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc(F)cc2)c1F 1772607030 AUWSSTZJQVBRKT-MEDUHNTESA-N 394.849 4.154 0 1 GIAF Cc1c2c(c(O)c3c1O[C@@]1(C)CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]1C3)C(=O)OC2 1857592108 IRHNVLPQCCHRLJ-UYADZXDASA-N 398.499 4.486 0 1 GIAF Cc1cccn2c(C(=O)NC3CCCCC3)c(NC(=O)c3cccc(F)c3)nc12 1857601898 PLRULMFWCVMHQF-UHFFFAOYSA-N 394.450 4.097 0 1 GIAF CC1=C[C@H](CN(C)CCO)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356316648 FAUZOWFXSCBIKF-BHDDXSALSA-N 397.563 4.366 0 1 GIAF CC(=O)OCC=C(CO)CC[C@]1(C)[C@H](C(=O)O)CC[C@]2(C)C(C)=CCC[C@@H]21 2356613445 MCVZTTJDKABTGZ-SEIRJHJZSA-N 378.509 4.112 0 1 GIAF Cc1ccc([C@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 61923847 XPINCFKWHIFHMC-SGNDLWITSA-N 394.563 4.393 0 3 GIAF O=C(NCc1ccc(Cl)cc1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205710922 GDCCFUQZFGLXIH-DJPFJPOOSA-N 390.911 4.280 0 3 GIAF CCCCC[C@H](C)NC(=O)CSc1nnc2c3ccccc3n(CC)c2n1 7096802 FRUYJNHTJBRKJY-AWEZNQCLSA-N 385.537 4.177 0 1 GIAF biogenic CCC[C@@H](CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 14209219 IIWGHQKHUOSNND-FQEVSTJZSA-N 389.499 4.318 0 1 GIAF COc1cc(C[C@H](C)[C@H](C)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O 14437609 IBXZKLJADNJZFN-OKILXGFUSA-N 390.476 4.190 0 1 GIAF biogenic COc1ccc([C@H](c2cc(O)ccc2O)c2ccc(C(C)C)cc(=O)c2O)cc1 28221691 WXTFQPFVHYCOOW-QHCPKHFHSA-N 392.451 4.476 0 1 GIAF O=C(O)CCCCCCN1C(=O)CC[C@H]1CC[C@H](O)Cc1cccc(Cl)c1 28571122 NGRWIKNLASBEQP-MOPGFXCFSA-N 395.927 4.050 0 1 GIAF CC(C)c1ccc(Nc2nnc(-c3c(NCc4ccncc4)ncn3C)o2)cc1 28571298 VUVNNHBIORGOAG-UHFFFAOYSA-N 389.463 4.344 0 1 GIAF O=C(O)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 29047277 BMDMKWJIRFLEEY-SFHVURJKSA-N 377.465 4.201 0 1 GIAF in-vitro O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)Nc1ccc(O)cc1O 40763296 GFBUWOJBXLRDMO-UHFFFAOYSA-N 385.323 4.250 0 1 GIAF Cc1nc(/C=C/[C@@H]2C/C=C\CCC[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O2)cs1 40862726 OAXHQZGPHDPLOS-WBPGIXRSSA-N 391.533 4.099 0 1 GIAF O=c1ccn(C/C=C/c2ccccc2)c(=O)n1Cc1cc(Cl)cc(Cl)c1 95589111 MXPSXHLEQKWUIU-QPJJXVBHSA-N 387.266 4.079 0 1 GIAF COc1cc([C@H]2CC(c3ccc(F)cc3)=NN2C(C)=O)cc2[nH]c(=S)oc12 96934826 GWQCMIBMXSKWOA-MRXNPFEDSA-N 385.420 4.336 0 1 GIAF CN(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(N)c32)cc1 104689660 PEWSMPYXRPXUIR-OAHLLOKOSA-N 395.532 4.264 0 1 GIAF O=C(O)[C@@H]1CCCN(CCO/N=C/c2ccccc2-c2ccccc2Cl)C1 147058958 RLBJEADRKYHHKZ-DMGPTTAYSA-N 386.879 4.154 0 1 GIAF CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)NC=O)[C@@]4(C)CC[C@@H]32)C1 152987481 JGGLJFYZCICQJN-CYJBNBHLSA-N 386.580 4.205 0 1 GIAF COc1ccc(OC)c(-c2c(F)ccc3c(N)c4c(=O)n(C5CC5)cc-4[nH]c23)c1 169729123 BDLHRFZSWNYTBS-UHFFFAOYSA-N 393.418 4.175 0 1 GIAF Cc1ccc(S(=O)(=O)n2cc([C@@H](O)c3ccccc3)c3ccccc32)cc1 199287170 UNYIGAIOXWNRRB-QFIPXVFZSA-N 377.465 4.268 0 1 GIAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)C(F)(F)CCC=CC[C@@H]21 253632913 JDUYYVZXUCCOCQ-YJBPUEFUSA-N 386.479 4.158 0 1 GIAF C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)NCc3cccs3)cc2)C1 261139856 MWATVQYCLGPJBC-APWZRJJASA-N 384.549 4.133 0 1 GIAF COc1ccc(-c2cnc3snc(NC(=O)c4ccco4)c3c2)cc1OC 299823098 SEOMYDNVVLODQN-UHFFFAOYSA-N 381.413 4.221 0 1 GIAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)cc1 299879700 LCLONUGBCWKLHY-ZCFYVNGWSA-N 397.471 4.011 0 1 GIAF Cc1c(-c2c(O)cc(O)cc2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992417 WUXFBYSXEJJCOL-UHFFFAOYSA-N 385.375 4.244 0 1 GIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(Br)nc2[nH]1 587109490 WAHITJJRJLFUQI-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF COC(=O)c1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cn1 587127962 DVWPPANCLZJHQW-UHFFFAOYSA-N 386.383 4.473 0 1 GIAF O=C(O)c1ccc(-c2cc(-c3nc4ccc(CO)cc4[nH]3)ccc2F)cc1F 587138258 FNCLRVHJOMPELW-UHFFFAOYSA-N 380.350 4.366 0 1 GIAF O=C(/C=C/c1nc2c(Cl)c(Br)cnc2[nH]1)Nc1ccc(F)cc1 587166687 GFABTJAGCMFFKH-AATRIKPKSA-N 395.619 4.165 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)N(C)C(=O)OC(C)(C)C)CC2=O 587468828 KHVASABNTYUMPL-KRWDZBQOSA-N 377.481 4.324 0 1 GIAF C[C@]1(CC(=O)Nc2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587511431 KPGCSEAWCWEIRQ-HSZRJFAPSA-N 393.439 4.047 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1OC(F)(F)O2 587558934 YJHPTVHRYYMYKI-OXJNMPFZSA-N 398.317 4.417 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccncc1 587577133 MKNXQGYZBRQQJK-OFNKIYASSA-N 384.391 4.281 0 1 GIAF C=C1C=C(C)n2ncc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2N1 587590417 ZZEJVCUBRUEDMY-RXVVDRJESA-N 387.395 4.092 0 1 GIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccccc1C(F)(F)F 587649813 LANYWMFVSVGYEC-UHFFFAOYSA-N 396.390 4.151 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3[nH]c(Cl)ncc2-3)N1 587705723 OEHYTGALAYSVEE-JKYUHCHBSA-N 395.663 4.088 0 1 GIAF COc1ccc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587713440 CGBMOPRRAZYJPN-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF COc1c(F)cc(F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587722133 QZYIONQIZJQARZ-PWJLMRLQSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(F)cc(F)cc32)N1 587737812 HNFLRZYBYWITMG-DYBLOJMWSA-N 398.222 4.427 0 1 GIAF CCN[C@H](C)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587756624 RMGQNBUYCLMNNJ-JZKQVHKSSA-N 391.328 4.364 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N[C@H](C)COC 587859501 JXABNFRBSLTWTH-SNVBAGLBSA-N 388.320 4.013 0 1 GIAF Cc1sc2c(c1C)CCN[C@]21CCN(C(=O)OCc2ccccc2)C[C@H]1C 963011475 GVBVTAYHZXCACK-QRQCRPRQSA-N 384.545 4.385 0 1 GIAF CC1(C)OC(=O)N([C@H]2CC[C@H](NC(=O)c3nccs3)CC2)[C@H]1c1ccccc1 1772589182 PKIZPRFMPQSMSM-ULQDDVLXSA-N 399.516 4.156 0 1 GIAF Cc1ccc2nc(C[C@@H]3CN(CC4CCCCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305932 UELBQRDBLAFPTB-RTBURBONSA-N 383.536 4.407 0 1 GIAF CCOC(=O)N1CCC(N2C(=O)c3ccccc3[C@H]2Nc2ccccc2C)CC1 4914685 KJVDTFOIWNSCJY-NRFANRHFSA-N 393.487 4.182 0 3 GIAF Cc1c(C(=O)NCc2ccc(C(C)C)cc2)sc(=O)n1Cc1cccc(F)c1 61907573 PPUZCGSMXIQTDA-UHFFFAOYSA-N 398.503 4.459 0 3 GIAF Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3ccc4c(c3)OCO4)sc2n1 2603028 NCLMBUSCGBMSKJ-UHFFFAOYSA-N 395.362 4.187 0 1 GIAF CCN1C(=O)N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2cscc21 6385240 ARPLDERGMCEBTO-UHFFFAOYSA-N 391.301 4.206 0 1 GIAF CCOC(=O)OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1cccc(N(C)C)c1 7992149 BJQHPHLOVQMVEG-FSSWDIPSSA-N 397.471 4.369 0 1 GIAF O=S1(=O)C=C(Sc2nnc(-c3cccc(Cl)c3)o2)c2ccccc21 10489541 AGNLXDWQULFXHH-UHFFFAOYSA-N 376.846 4.268 0 1 GIAF O=c1cc(-c2ccc3c(c2)ncn3-c2ccccc2)ccn1CCN1CCCCC1 13536078 NPCYXGHGFVADQP-UHFFFAOYSA-N 398.510 4.340 0 1 GIAF COc1c(-c2ccc3c(c2)OCO3)oc2c3c(ccc2c1=O)OC(C)(C)C=C3 14677152 SVCOJIPWISPOJZ-UHFFFAOYSA-N 378.380 4.382 0 1 GIAF biogenic C=C(C)[C@@H]1Cc2c(ccc(C(=O)[C@H]3CCOc4cc(OC)c(OC)cc43)c2O)O1 14688435 PNGWMVLNWUQYJN-UGSOOPFHSA-N 396.439 4.038 0 1 GIAF biogenic Nc1c(C(=O)Nc2ccccc2C(=O)O)sc2nc3c(cc12)CCCCC3 33334527 GOBIUBDXVPVDQW-UHFFFAOYSA-N 381.457 4.098 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1=C[C@@H]3O 33820850 PXHCARRJGFGPAC-CPYYDPFGSA-N 390.564 4.398 0 1 GIAF O=C(NCCc1nc(-c2ccc(F)cc2Cl)no1)c1cnc2ccccc2c1 40406604 HWQXPOZWUHQRFG-UHFFFAOYSA-N 396.809 4.050 0 1 GIAF CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12 42888384 FGLAGWQPEAMLIC-UHFFFAOYSA-N 397.523 4.360 0 1 GIAF O=C(O)c1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1 49807817 PMWGGASGKKKSPO-UHFFFAOYSA-N 384.284 4.355 0 1 GIAF Cc1cccc(NC(=O)N[C@H]2N=C(C3CCCC3)c3ccccc3N(C)C2=O)c1 58476835 OHNITXIZGXJEII-OAQYLSRUSA-N 390.487 4.099 0 1 GIAF CC(C)(C)C(=O)N1CCN([C@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72103576 PHURSCYDIHRUEG-LJQANCHMSA-N 389.902 4.154 0 1 GIAF CCCc1nc2c(NCc3ccccc3C)ncnc2n1CCc1ccccn1 82180477 ZSHGGFPSVJCUCO-UHFFFAOYSA-N 386.503 4.337 0 1 GIAF O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)c[nH]c1=O 95590051 SUMUCTYMEXSMJC-UHFFFAOYSA-N 384.663 4.318 0 1 GIAF CCOC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1 100705495 ICOPGYCMYXTXKA-ZDUSSCGKSA-N 393.468 4.275 0 1 GIAF COC(=O)[C@H]1[C@H](c2ccc(-c3ccccc3C(C)=O)cc2)C[C@H]2CC[C@H]1N2C 253633277 IKFLALJPMIMFEC-MSYGRNIXSA-N 377.484 4.296 0 1 GIAF NC[C@H]1CC[C@H](C(=O)N[C@H]2C/C=C/CCCc3ccccc3-c3c[nH]c2n3)CC1 261109822 HWNXIRHFMGJZRN-BRPGSPSBSA-N 392.547 4.282 0 1 GIAF O[C@H]1CC[C@H](Nc2ccn3ncc(-c4cccc(C(F)(F)F)c4)c3n2)CC1 299822741 DFHQXRLKAFZKPB-SHTZXODSSA-N 376.382 4.131 0 1 GIAF C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@H]1C[C@@H](O)[C@@H]2O 299873051 GDUPBUZZJUIEDX-KCAOPCNBSA-N 378.512 4.453 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)cc1 586940229 XPCDWAIRFBDZHC-JTQLQIEISA-N 381.860 4.099 0 1 GIAF C[C@H]1CCc2sc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2C1 587033339 HNVJKMWASDZESW-LBPRGKRZSA-N 391.500 4.476 0 1 GIAF NC(=O)c1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587049870 MRCFJMRKRBHSFJ-UHFFFAOYSA-N 375.815 4.462 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc2c1 587164974 HBUHPCBCPJZPAA-UHFFFAOYSA-N 384.798 4.054 0 1 GIAF C=CN1CCCC[C@H]([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587393357 GYNHRQMHDWKYQL-CYFREDJKSA-N 390.483 4.210 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(Cl)cn1)CC2=O 587460317 HBYULKSTXBJGII-FQEVSTJZSA-N 388.851 4.146 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn2cc(Cl)ccc2n1 587552520 SCAAMKIMVJMOAY-RXVVDRJESA-N 392.798 4.396 0 1 GIAF COc1c(F)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587558754 UERAWKMPRSPVKN-PXNSSMCTSA-N 384.334 4.382 0 1 GIAF COc1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599841 HYXYBQKIVIBNKI-PZJWPPBQSA-N 376.408 4.364 0 1 GIAF CCn1ncc(Cl)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587699056 RIBWLNDPHNLJJD-XXFAHNHDSA-N 386.696 4.256 0 1 GIAF CCOC(=O)C[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587795705 JAAHUTNLENHALW-UHYGZKCKSA-N 398.316 4.461 0 1 GIAF CCOC(=O)C[C@@]1(C2(C)CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800256 WJDDQGPRSZQMFH-BBATYDOGSA-N 384.289 4.071 0 1 GIAF CCC[C@H](C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800762 YYSLEUSDBUGBQF-SRBZOADZSA-N 386.305 4.317 0 1 GIAF Cc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836626 WICZCFRGLKEOEC-HXPMCKFVSA-N 376.269 4.457 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1cc(CN3CCCC3)cs1)N(C)[C@H](C)C2 962638263 PFYIARLXOOMULJ-QRQCRPRQSA-N 386.561 4.327 0 1 GIAF CCn1ncc2cc3nc(c21)CCCOC(C)(C)[C@H](c1ccccc1)NC(=O)N3 1772611191 IQZTVUWHLDGYEH-FQEVSTJZSA-N 393.491 4.055 0 1 GIAF COC(=O)C1=C(C(C)(C)C)NC(=S)N[C@H]1/C=C/c1ccc(C(F)(F)F)cc1 1857579923 RUKWXWAGVMMELN-RSPDNQDQSA-N 398.450 4.038 0 1 GIAF C[C@H](Oc1cc(-c2cnn3cccnc23)cnc1N)c1cc(F)ccc1Cl 1911573959 BLFQPIJHWWEMBK-NSHDSACASA-N 383.814 4.306 0 1 GIAF CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3C[C@@H](O)c3cccnc32)CC1 1911583264 RMBROXJQNBOWDG-LJQANCHMSA-N 398.890 4.379 0 1 GIAF COc1ccccc1Nc1cc(C(=O)NCc2cccnc2)c2ccccc2n1 4911719 VRVFQMXOTICYJA-UHFFFAOYSA-N 384.439 4.312 0 3 GIAF CSc1ccccc1OCc1cc(C(=O)N[C@H]2CCc3ccccc32)no1 11774589 WVPOPICAEKZFRN-KRWDZBQOSA-N 380.469 4.393 0 3 GIAF CCCOC(=O)c1[nH]c(CNCc2ccccc2)c(C(=O)OC(C)(C)C)c1C 13533471 CDMXUYNIIUFYBF-UHFFFAOYSA-N 386.492 4.135 0 1 GIAF COc1ccccc1N1CCN(c2ccc(Nn3c(C)ccc3C)cc2)CC1 26021333 UTUXYHBFSZDCBL-UHFFFAOYSA-N 376.504 4.315 0 1 GIAF CC(C)N(CC[C@@](CCN1CCCCCC1)(C(N)=O)c1ccccc1)C(C)C 39254134 ZUVYGGFQYJOHSX-XMMPIXPASA-N 387.612 4.185 0 1 GIAF Cc1ccc(-c2nc3cc4c5c(cccc5c3o2)C(=O)N(CCN(C)C)C4=O)cc1 95590037 KLAUQHLHRHOMLI-UHFFFAOYSA-N 399.450 4.114 0 1 GIAF CC[C@@H](CN)[C@H](CC)Oc1cccc2ccc(-c3nnc4ccccn34)nc12 96174978 AZSRVVPUAZTMAY-YJBOKZPZSA-N 375.476 4.087 0 1 GIAF CCCOC(=O)c1cccc(-c2cc(C(=O)Nc3ccncc3)ccc2CN)c1 96286477 OVIAEPAPINRQRA-UHFFFAOYSA-N 389.455 4.026 0 1 GIAF COc1cccc(COC(=O)c2c(-c3ccc(OC)c(OC)c3)csc2N)c1 96929335 KUYKGKWALOSLME-UHFFFAOYSA-N 399.468 4.380 0 1 GIAF O=C1c2cnn(C3CCCCCC3)c2CCCN1[C@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 101668621 WMVRFCCRSLJNEF-XHORMFOCSA-N 397.563 4.106 0 1 GIAF CC1(C)C[C@@H]1COc1cc(C(F)(F)F)ccc1C(=O)Nc1cc[nH]c(=O)c1 143251348 FCWGDENQRAUXMY-GFCCVEGCSA-N 380.366 4.071 0 1 GIAF COc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccccc3)nc1-2 169702191 FWDWEBXHZNJXSV-UHFFFAOYSA-N 383.455 4.395 0 1 GIAF O=C(O)c1cc(Br)cc2[nH]c([C@@H]3Cc4ccccc4S3)nc12 319470031 QGXNVNWOSBVXOA-ZDUSSCGKSA-N 375.247 4.413 0 1 GIAF COc1cc(Cn2c(-c3cscn3)nc3ccccc32)cc(OC)c1OC 473135689 RVFFKXHUMZGUKV-UHFFFAOYSA-N 381.457 4.234 0 1 GIAF Clc1c(-c2nc3cc(Br)ncc3[nH]2)ccnc1Br 587005624 NIDKMXPEPFEADY-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF Nc1ccc(-c2ccc3nc(C[C@@H](N)c4ccccc4Cl)[nH]c3c2)cc1N 587058438 VSGOBZUZQLAHGG-QGZVFWFLSA-N 377.879 4.290 0 1 GIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(C(C)=O)cc4[nH]3)c2)c1 587234220 CZUPLMZLXWSPDU-UHFFFAOYSA-N 383.451 4.383 0 1 GIAF Cc1c(Cl)ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c12 587259682 LPOKTYCFJUOSLY-INIZCTEOSA-N 386.883 4.231 0 1 GIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@@H]3C(=O)O)c1 587364951 BEVGVWJZDOUNRR-INIZCTEOSA-N 387.391 4.340 0 1 GIAF CSc1nccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587379334 XYPHURPNLFGHAQ-GHTZIAJQSA-N 396.443 4.318 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccccc2)Nc2ccccc21 587401197 QSDZCTPOUVOZFT-XUZZJYLKSA-N 384.435 4.174 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CNC(=O)OC(C)(C)C)(C1CCC1)CC2=O 587471358 QYHZUOVZQZLBQW-JOCHJYFZSA-N 389.492 4.374 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1cccc(OC)c1)CC2=O 587481905 IWRZLUZEIUCFLN-HXUWFJFHSA-N 378.428 4.450 0 1 GIAF O=C1C[C@H](c2cnc(=NCc3ccccc3)[nH]c2)Oc2c1ccc1c2CCCC1 587511051 ISLJUNMMHJCTOK-JOCHJYFZSA-N 385.467 4.096 0 1 GIAF COc1cc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587543689 LIJMYCLSDNRNSA-GHTZIAJQSA-N 398.798 4.463 0 1 GIAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587554593 LAYQUSRXYWABQL-GHTZIAJQSA-N 394.354 4.021 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-n2cccn2)c1 587584014 YJDNWKUEMBOZNJ-NFBKMPQASA-N 384.391 4.281 0 1 GIAF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O 587604668 VEASUAYMNPSCQR-VITDHJIUSA-N 378.424 4.118 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)nc2)N1 587712431 APXSLKYREASRQO-VXJOIVPMSA-N 387.199 4.208 0 1 GIAF CCC[C@]1(c2c[nH]c(C(=O)O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795969 ZBKFNBMSQIDPEY-XTZNXHDOSA-N 395.272 4.192 0 1 GIAF O=C(Nc1cnn(Cc2ccc(F)cc2Cl)c1)c1cc(-c2ccco2)on1 621476063 CILPEAPTDRPMSH-UHFFFAOYSA-N 386.770 4.224 0 1 GIAF COc1cc2c(cc1OC)[C@]1(C[C@H]2N)NCCc2cccc(-c3ccccc3)c21 962666521 MWRNOAKNNFMEMY-BWKNWUBXSA-N 386.495 4.164 0 1 GIAF CCCCN(C)c1ncc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962731277 RFBZWMUEKLJQGQ-HOCLYGCPSA-N 397.466 4.115 0 1 GIAF Fc1ccc([C@@H]2CCCN2CCCn2nnc(-c3ccccc3Cl)n2)cc1 1857601977 BFNSTAAQKPEMNS-IBGZPJMESA-N 385.874 4.360 0 1 GIAF CC(C)C1=C[C@H]2[C@](C)(CC1)[C@H](O)[C@@H](O)C[C@@]2(C)OC(=O)C=Cc1ccccc1 2356539134 DRNUHBXXLRKSBG-KHFRZORUSA-N 384.516 4.126 0 1 GIAF Clc1ccc2nc(CSC3=NN/C(=C4\C=Nc5ccccc54)O3)cn2c1 136836497 ZGBPPMSZUWYOIN-VKAVYKQESA-N 381.848 4.196 0 3 GIAF CCCCn1c(=O)c(CC)c(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 13731446 AHJSSGHRTFNIFS-JWTNVVGKSA-N 396.531 4.146 0 1 GIAF CCCCCCOC[C@H](CO[P@](=O)(O)OC)SC(=O)CCC(C)C 27331038 KZQNJWIHTACRAQ-OAHLLOKOSA-N 384.475 4.411 0 1 GIAF NCCCCN1C(=O)[C@@H](Cc2ccccc2)N=C(c2ccccc2)c2ccccc21 27525924 IINGHVIHVAOJMU-HSZRJFAPSA-N 397.522 4.221 0 1 GIAF CN(C)CCNC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12 27900780 QAPRBIIWOYEJOK-UHFFFAOYSA-N 384.483 4.188 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@H]4[C@H]3CC[C@@H]12 34801199 RIGMJQYSJWLGJZ-AIFVNNIBSA-N 386.580 4.157 0 1 GIAF Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)[C@H](C)Oc1ccccc1Cl 40413877 KQBDVEWGHBWAGH-PKOBYXMFSA-N 386.923 4.197 0 1 GIAF O=C(O)Cn1c2c(c3ccc(Cl)cc31)CCN(Cc1ccccc1)C2=S 73199399 HGDKZQHNFQCWQC-UHFFFAOYSA-N 384.888 4.113 0 1 GIAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccco2)C1 82142346 TVQIWVNWOTXFDY-IRXDYDNUSA-N 382.508 4.378 0 1 GIAF CCCc1nc2c(NCc3cccc(F)c3)ncnc2n1CCN1CCCCC1 82184670 FZXZZACWFDOMMN-UHFFFAOYSA-N 396.514 4.016 0 1 GIAF Cc1ccnc(NC(=S)N2CCN(c3ccc(Cl)cc3Cl)CC2)c1 95569587 DQKRSQKWOWWRJR-UHFFFAOYSA-N 381.332 4.216 0 1 GIAF O=C(c1ccc(Oc2ncccc2C2CCNCC2)cc1)c1nc2ccccc2[nH]1 148407292 BXCJWQKBCQEGBY-UHFFFAOYSA-N 398.466 4.448 0 1 GIAF CN1C(=O)C=C[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)c5ccc[nH]5)CC[C@@H]4[C@@H]3CC[C@@H]12 169321537 ADCZPIWAYHWQLK-JGUAADJYSA-N 380.532 4.453 0 1 GIAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cccc(Cl)c2[nH]1 586945308 DCBWJXMQQNZIQB-UHFFFAOYSA-N 393.877 4.016 0 1 GIAF COc1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 586957709 ATHZWLDNGFVENC-HSZRJFAPSA-N 393.306 4.074 0 1 GIAF Brc1ccc(NCCc2nc3c(Br)ccnc3[nH]2)cc1 586995194 FWOXELORTBKKEN-UHFFFAOYSA-N 396.086 4.138 0 1 GIAF CC1=C(c2ccc3[nH]c(-c4cc5c(s4)CC[C@@H](C)C5)nc3c2)NNC(=O)C1 587033520 JHLTVQYQCJAULT-LLVKDONJSA-N 378.501 4.172 0 1 GIAF Fc1c(Br)ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 587075500 JTBBQTMSPFPTCP-UHFFFAOYSA-N 392.619 4.366 0 1 GIAF Cc1c(Cl)ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 587112169 JXUNQQDOLYJSPC-UHFFFAOYSA-N 392.772 4.245 0 1 GIAF O=S(=O)(c1ncccc1-c1nc2cc3ccccc3cc2[nH]1)C(F)(F)F 587126667 FFLAMYSSTOJRJU-UHFFFAOYSA-N 377.347 4.072 0 1 GIAF CC(C)[C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)N(C)C(=O)OC(C)(C)C 587197577 IPOOXCPDPYYKTP-QGZVFWFLSA-N 375.469 4.288 0 1 GIAF Cc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 587238617 FEFSTQGWXFGHSD-WTBBCNCBSA-N 385.508 4.426 0 1 GIAF CC(=O)OC[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346205 HYCXTDSYUSDOJS-DENIHFKCSA-N 386.419 4.238 0 1 GIAF COc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1Br 587375568 DOLLJVXGIQHSCM-SFHVURJKSA-N 376.250 4.229 0 1 GIAF CC(=O)N(c1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1)C1CC1 587535445 KVKMRGMURSBEKM-IBGZPJMESA-N 382.485 4.244 0 1 GIAF COC(=O)c1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587655851 BVHDZBLNEOJASM-UHFFFAOYSA-N 392.361 4.118 0 1 GIAF COc1ccc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587713438 CGBMOPRRAZYJPN-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF CC(=O)[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587732940 OSHOFALHUXKRHQ-XTZNXHDOSA-N 380.232 4.094 0 1 GIAF COC(=O)[C@@H]1CCCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587809057 QALIRFLXTGGTBG-FNFWKMNBSA-N 384.289 4.071 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@@]2(C(=O)O)C3(C)C)N1 587826671 LDHXACJSJXZDFV-QQHHZCALSA-N 396.300 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O)N1 587829067 VUBWUZOVDXWTPY-YYXJNVLMSA-N 382.317 4.135 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCN1Cc1ccccc1 587872378 KPIVHUVLNOKBDD-HXUWFJFHSA-N 379.435 4.003 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1c(Cl)nc3scc(C)n13)N(C)[C@H](C)C2 962563232 FLQZXDQCYGFVPN-HWPZZCPQSA-N 391.924 4.341 0 1 GIAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc(Cl)c(F)cc2F)N1 962978515 RMVKZVOWCLQDKF-IUODEOHRSA-N 394.151 4.238 0 1 GIAF CNC(=N)Nc1nccc(-c2sc(-c3ccc(C(C)(C)C)cc3)nc2C)n1 1857768599 YIOUXOPFPAJYRL-UHFFFAOYSA-N 380.521 4.439 0 1 GIAF COc1cccc(CN2CCc3cc(-c4ccc5n[nH]cc5c4)ccc3C2=O)c1 1911582330 XTPHWCDWCWGAAN-UHFFFAOYSA-N 383.451 4.437 0 1 GIAF Cc1c(O)c(Cc2ccccc2O)c2c(c1O)C(=O)C[C@H](c1ccccc1)O2 2356497613 STMIMZKOJRZITC-LJQANCHMSA-N 376.408 4.409 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)CC[C@H](O)[C@](C)(O)[C@@H]2[C@@H]1OC(=O)C=Cc1ccccc1 2356627965 BYIDNKQJXAGYPI-YXWUXENJSA-N 386.532 4.206 0 1 GIAF Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC3CCCC3)cc12 20114383 XLGRMXLVBAEULF-UHFFFAOYSA-N 380.536 4.204 0 3 GIAF COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1cccc(F)c1)CC2 3955887 KFEGVHDCLNARPB-UHFFFAOYSA-N 396.506 4.353 0 1 GIAF C[C@H](Cc1ccnc2ccc(O)cc12)NC(=O)c1ccc(OC(F)(F)F)cc1 29040757 QDMYIDQIFWFEIY-GFCCVEGCSA-N 390.361 4.200 0 1 GIAF COc1ccc(/N=c2\scc(CC(=O)Nc3ccc(Cl)cc3)n2C)cc1 29124579 LGXFZUIMHSMDEK-QOCHGBHMSA-N 387.892 4.162 0 1 GIAF C[C@@H]1C[C@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1 40847490 WDVFSNIVMZTNHY-VXGBXAGGSA-N 394.566 4.048 0 1 GIAF FC(F)(F)c1cc(CNCCCNc2nc3cnccc3[nH]2)ccc1Cl 45189391 RELKKNZDBWIURV-UHFFFAOYSA-N 383.805 4.222 0 1 GIAF COC(=O)c1ccc(CN2C(=O)[C@]3(CC(C)=CC[C@H](C)O3)c3ccccc32)cc1 66166182 RYTDUGHGAARXLL-XDHUDOTRSA-N 391.467 4.361 0 1 GIAF c1ccc(C(CCNCc2nnnn2C2CCCCC2)c2ccccc2)cc1 73168594 SMAJWXNTHUEWIG-UHFFFAOYSA-N 375.520 4.490 0 1 GIAF O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)O)c1ccccc1F 84708979 HCXSLMXULNHPDI-UHFFFAOYSA-N 378.359 4.029 0 1 GIAF Cn1c(N)nc([C@H]2C[C@H]2c2ccc(-c3cccc(OCC4CC4)c3)cc2)cc1=O 95555510 MIHSIHKTDRFHFM-SFTDATJTSA-N 387.483 4.089 0 1 GIAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CCc2c(Cl)cccc2C1 95580192 IKOBVJWANOZDQW-CYBMUJFWSA-N 397.910 4.007 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4[C@@H](C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169724661 ZTHAQUDQAORYRJ-CGXYBBJHSA-N 386.580 4.373 0 1 GIAF COc1c(O)c2c(c(CC=C(C)C)c1OC)O[C@H](c1ccc(O)cc1)CC2=O 238782246 GIKLYRWFOWMYQK-KRWDZBQOSA-N 384.428 4.330 0 1 GIAF Nc1nccc2cc(N[C@@H](C(=O)NCc3ccccc3)c3ccccc3)ccc12 473088698 JJJKCNGQRVGVDX-JOCHJYFZSA-N 382.467 4.287 0 1 GIAF CC[C@H]1OCCC[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 586912860 PMNSDVQRKAEZJY-VXNVDRBHSA-N 389.091 4.156 0 1 GIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccnc(Cl)c3[nH]2)cs1 587019669 SYVGFKGGWCLULP-UHFFFAOYSA-N 384.852 4.303 0 1 GIAF COc1cccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c12 587113321 HILADMNDHWVIGX-UHFFFAOYSA-N 395.406 4.462 0 1 GIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Br)nc2[nH]1)C(C)(C)C 587206086 VDTFIWZYUPMXOW-LLVKDONJSA-N 397.317 4.202 0 1 GIAF Cc1c(NC(N)=O)cccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587240503 UYGAOEZGNKEZBA-UHFFFAOYSA-N 379.645 4.445 0 1 GIAF CCCC[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347783 MRZYTJLRSLOQDU-KNQAVFIVSA-N 386.419 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(Cc3ccc(Cl)cc3)c1O)O2 587377003 FNISJOZOVSRGRI-GOSISDBHSA-N 397.862 4.196 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4cccc(Br)c4C[C@@H]1C)[C@@H](C2)C3=O 587419242 XLNYZWACVAVBLF-KAFSRPFYSA-N 385.257 4.293 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587423338 XFACZKREHYTWCZ-LIRRHRJNSA-N 378.346 4.385 0 1 GIAF CCOC(=O)COc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520494 DDEMRTVKHGIPIQ-OAQYLSRUSA-N 380.440 4.214 0 1 GIAF COc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587549914 TVCNPIOSUCLGSE-UTKZUKDTSA-N 397.814 4.326 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nccn1Cc1ccccc1 587575647 GELUPFGFMSLCMN-NFBKMPQASA-N 398.418 4.340 0 1 GIAF Cn1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1ccccc1 587580088 GYQPERLDGKGEBH-ZJSXRUAMSA-N 398.418 4.496 0 1 GIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1OC 587595758 SILWUNFFTXCDPU-XXBNENTESA-N 392.407 4.421 0 1 GIAF COc1cc(OC)cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587600232 NECZPKDWLRTKBV-REWPJTCUSA-N 392.407 4.286 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@H]1CCOC1 587616871 NCNHQCOYHCAEDZ-JBUDQFAYSA-N 388.419 4.286 0 1 GIAF Cc1cn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)nc2s1 587617748 KULUXPUYVWLQBO-OXJNMPFZSA-N 392.436 4.421 0 1 GIAF Cc1cccc2c1NCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587799513 XKJYIKRQVAERAY-HXPMCKFVSA-N 375.285 4.490 0 1 GIAF COc1cccc(OC)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587809292 SJHRGRAUXYAJEK-NSPYISDASA-N 394.284 4.403 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2CCC(=O)O)N1 587829220 RCPPOVJFKNBOJZ-BVRBVLIYSA-N 384.289 4.373 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(O)nc2Cl)N1 587853829 RWSDVWLEEPMZSK-GPXNAGAYSA-N 377.666 4.027 0 1 GIAF Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCCCC3)nc21 653781590 IRALUAJNHAVHJX-UHFFFAOYSA-N 386.402 4.144 0 1 GIAF COc1ccc2c(c1)C=C([C@]1(C)c3c(ccc(OC)c3OC)C[C@@H](C)N1C)CO2 962564540 HDISOICWLNDDMB-OYLFLEFRSA-N 395.499 4.280 0 1 GIAF C[C@@]1(c2cccc(OCC(=O)O)c2)c2ccsc2CCN1Cc1ccco1 962714082 QDCJMVKIECEIFW-OAQYLSRUSA-N 383.469 4.126 0 1 GIAF CCCCOc1ccccc1[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973229 JQHXMBPAASQLKE-HNAYVOBHSA-N 395.833 4.485 0 1 GIAF CCOC(=O)Nc1snc(C)c1[C@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963115356 VYUSHHJNLBEEHJ-QRWLVFNGSA-N 389.496 4.443 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(-c2cccc(CO)n2)cc1 963271215 SVCALKKFJUASKD-JOCHJYFZSA-N 380.875 4.138 0 1 GIAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@@H]4CCCC2OCCO2)cc1 963832621 QWFCXDIWEUIMNF-JOCHJYFZSA-N 392.499 4.477 0 1 GIAF CC[C@H](C)OC(=O)c1ccc2ccc(Oc3ccnc(C(=O)NC)c3)cc2c1 1772642232 BCWCMYKYJXFDFB-AWEZNQCLSA-N 378.428 4.342 0 1 GIAF COc1ccc2c(c1)NC(=O)CN2c1nc(NC2CCCC2)nc2ccccc12 1772647339 AFOMYNOUKDWOCG-UHFFFAOYSA-N 389.459 4.083 0 1 GIAF CC(C)OC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@H]1c1ccco1 1857557360 YOQKIUHNWJYGSF-HNNXBMFYSA-N 391.349 4.412 0 1 GIAF CCc1ccc([C@H]2c3[nH]c4ccc(C)cc4c(=O)c3CN2c2ncccn2)s1 1857754574 ACPPZCNRLYQGTF-FQEVSTJZSA-N 388.496 4.360 0 1 GIAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@@H](O)C[C@@H]12 2356420737 LOQBMALJVSKCDP-OKEXSIRASA-N 386.532 4.098 0 1 GIAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@]32C(=O)CCC(=O)CCC1 2356520788 YQEDSESCWJZLEZ-VPZPMITBSA-N 385.548 4.394 0 1 GIAF CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1 2465914 HHGXUQKXBNYAIB-HNNXBMFYSA-N 396.466 4.462 0 3 GIAF CC(=O)Nc1cc(-c2ccc(CO)cc2)cn2c(-c3ccc(F)cc3)cnc12 61908822 MWSOHJMEIKMGPM-UHFFFAOYSA-N 375.403 4.258 0 3 GIAF O=C1c2ccccc2[C@@H]2C[C@@H](O)[C@H](Nc3ccccc3-c3ccccc3)CCN12 61959041 DBRLBIDAUUDIJN-TZRRMPRUSA-N 384.479 4.486 0 3 GIAF Cc1cc(C)c2c(c1)[nH]c1nnc(SCC(=O)Nc3ccc(F)c(F)c3)nc12 2479484 UMKDODCLNWGRMX-UHFFFAOYSA-N 399.426 4.132 0 1 GIAF O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1nc2ccccc2s1 4303170 VEVGTMVWJUPKJP-UHFFFAOYSA-N 395.465 4.443 0 1 GIAF CCCCN(C)C(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C 4904523 HHPHOQJWBQPGAD-UHFFFAOYSA-N 379.504 4.480 0 1 GIAF C[C@@H](C(=O)N1CCCC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O 5022124 FRXXJSPXTMSWBI-QRWLVFNGSA-N 398.503 4.092 0 1 GIAF COc1ccccc1-c1nnc(C2CCN(C(=O)c3ccc(C)cc3)CC2)o1 6737469 JSPFROJXYCGJME-UHFFFAOYSA-N 377.444 4.073 0 1 GIAF C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 28820567 QJYSVKVIDJLNSU-NSHDSACASA-N 383.300 4.384 0 1 GIAF CCCNC(=O)c1cncc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1 45167948 RQRONMSODUZIIC-UHFFFAOYSA-N 385.511 4.145 0 1 GIAF O=C(Nc1cccc(F)c1)N[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45202582 LWCDEHROOMVZIN-INIZCTEOSA-N 384.842 4.428 0 1 GIAF Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cc1C(N)=O 49112240 CPBHHACTFPYERR-OAHLLOKOSA-N 388.515 4.039 0 1 GIAF Cc1cccc(-c2nc(N3CCCC3)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 82160090 AZSQKLAOGFPJGT-ROUUACIJSA-N 378.520 4.170 0 1 GIAF COc1cc([C@H]2C3=C(O)CCC3=Nc3cc4c(cc32)OCO4)cc(OC)c1OC 100864453 GSRQTDUMDYZLBR-HXUWFJFHSA-N 395.411 4.265 0 1 GIAF COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1 103192521 XBIZZHOSFUXUMA-UHFFFAOYSA-N 394.663 4.234 0 1 GIAF COc1ccc(-n2c(SCc3ccccc3Cl)nc3nncc-3c2O)cc1 103538126 NCLAMSYCUYTTMU-UHFFFAOYSA-N 398.875 4.427 0 1 GIAF Cc1ccc2nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)cn2n1 211358289 YHBXCFMTYNGDFB-UHFFFAOYSA-N 388.393 4.076 0 1 GIAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2cccc(OC)c2)cc1 253640230 WZOWKFNPGXEKBJ-UXBRAFMPSA-N 389.495 4.401 0 1 GIAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)cc1 473169983 PDYCRXHYUADPPD-UHFFFAOYSA-N 380.787 4.294 0 1 GIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4ncccc4[nH]3)cc2)c1C 586946943 GEFYPGXOHFGXHZ-UHFFFAOYSA-N 378.457 4.043 0 1 GIAF Fc1cc2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2cc1Br 587043284 YPNGBVVODPXBQU-CVEARBPZSA-N 392.297 4.411 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(C)cnc3[nH]2)c1 587050209 WFHZRAJVJUKWQV-UHFFFAOYSA-N 399.882 4.230 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Cl)c1)(c1cc(C=O)n(C)c1)O2 587378659 OVKWBLSXGGSPDN-JOCHJYFZSA-N 394.858 4.291 0 1 GIAF CCOc1cc(OCC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC)c1 587400481 PWDMIEUHRVSJSK-FQEVSTJZSA-N 385.460 4.480 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C[C@H]1CC[C@@H](C(=O)O)C1)(c1ccccc1)O2 587409441 ULJQANBLXUUQBB-PXAQALGRSA-N 379.456 4.329 0 1 GIAF COc1cc2c3c(c1)O[C@](CC(C)(C)CC(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587446953 IWHVPIPAXSHOAB-GAJHUEQPSA-N 380.440 4.229 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccccc1OC)CC2=O 587469496 IRPDTGUBCZVOEM-JOCHJYFZSA-N 383.444 4.106 0 1 GIAF NC(=O)CCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515038 IKIWQQWBDUXMAJ-QFIPXVFZSA-N 388.467 4.102 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2C1 587518333 GEDMEMBBEPUBBL-HNJRGHQBSA-N 383.488 4.012 0 1 GIAF CC(C)(C)OC(=O)NC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571536 LRDJSQMIZAURPJ-APWZRJJASA-N 399.443 4.026 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3ccc(F)cc23)N1 587735781 VDNDBRHXUQNEAV-ZKANADHPSA-N 378.220 4.227 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587792728 CMLYUDAARVBYRY-VNBZBWLYSA-N 384.289 4.071 0 1 GIAF CC(=O)COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587797834 XQCLWNWPUZRUOJ-WLRWDXFRSA-N 392.268 4.180 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc[nH]n3)o2)N1 587798699 VLSPSFYWWBFXCB-VVVCHXIZSA-N 376.229 4.195 0 1 GIAF CC(C)C1=CC=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)C1 587822976 NVHQUWUCLOVVEJ-BUXKBTBVSA-N 378.285 4.429 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(C/C=C/c3ccc(OC)cc3OC)nc2c1 587929295 MGHDKHVPMWNQCD-SNAWJCMRSA-N 386.835 4.276 0 1 GIAF O=C1C[C@H](C2CC2)C[C@]2(C1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962636906 JKICTMFGVLVKRK-KJOQGJGQSA-N 386.539 4.408 0 1 GIAF CCc1noc(C)c1[C@@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962964093 ZGATXWJTXJFGMP-LJQANCHMSA-N 394.437 4.479 0 1 GIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2[nH]ccc2Cl)N1 963180652 NQRIFLRIXSROIC-NEPJUHHUSA-N 379.165 4.029 0 1 GIAF O=S(=O)(c1ccccc1)N1CCc2ccc(C3CCN(C4CCC4)CC3)cc21 1857599791 KWPDQKFFYHDFIG-UHFFFAOYSA-N 396.556 4.170 0 1 GIAF CCCOc1ccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)on2)cc1 1857656146 ZZBJNOIKOBLGSC-UHFFFAOYSA-N 388.370 4.087 0 1 GIAF CCN(CC)c1ccc2cc(C3=NN[C@H](c4ccc(F)cc4)C3)c(=O)oc2c1 1857757917 IAAPTXJXIRMMEH-IBGZPJMESA-N 379.435 4.217 0 1 GIAF NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)ccc1N[C@H]1CC[C@H](O)CC1 1857760373 UGXFWZIMEDVRSB-HDJSIYSDSA-N 379.287 4.475 0 1 GIAF COc1cccc(NC(=O)N[C@@H](C)c2onc(-c3ccc(F)cc3)c2C(=O)O)c1 2356551120 ROEQNDLPCRZKEL-NSHDSACASA-N 399.378 4.070 0 1 GIAF COc1cc(O)c([C@@H](CCN2CCCC2)c2ccc(N(C)C)cc2)c(OC)c1 13661649 CBKINESZAJBQJQ-FQEVSTJZSA-N 384.520 4.093 0 3 GIAF COc1ccc(-n2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c3ccccc3c2=O)cc1 2937584 KRKCPWHLVNYGOT-IAGOWNOFSA-N 390.483 4.117 0 1 GIAF O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4053278 ZPZZQMICCIVEQF-FYYLOGMGSA-N 388.442 4.276 0 1 GIAF CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1C1CCCC1 13801295 BBQZSDALSNIYRB-UHFFFAOYSA-N 378.558 4.364 0 1 GIAF Clc1cccc(N2CCN(Cc3cnn4ccc5ccccc5c34)CC2)c1 13862507 FRFHRRSWZNDREM-UHFFFAOYSA-N 376.891 4.463 0 1 GIAF Cc1cc([C@@H]2[C@@H](C(C)C)CC[C@]2(C)C(=O)O)c(C(=O)O)c(O)c1Br 15267080 CUEYFKVUWNYWDV-LNSDYSHSSA-N 399.281 4.402 0 1 GIAF biogenic CC[C@H]1CN(C(=O)NC2CCCCC2)CC[C@@H]1CC(=O)NCc1ccccc1 25430392 HYHJRRBOAINTCU-VQTJNVASSA-N 385.552 4.083 0 1 GIAF biogenic CCOc1ccc(Cl)cc1-c1cc(Nc2ccc3c[nH]nc3c2)nc(N)n1 26391988 HJTYGBYWQGTVIS-UHFFFAOYSA-N 380.839 4.398 0 1 GIAF O=C1CS[C@@H](c2c(F)cccc2Cl)N1c1ccc(Br)cn1 27626016 NPYUBWXOZCAGDE-AWEZNQCLSA-N 387.661 4.415 0 1 GIAF CC[C@@]1(CCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)Nc2ccccc21 29055159 KKWOYMMBRXQJHI-DEOSSOPVSA-N 395.522 4.418 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 39633750 UVYBXVJYKDNRLY-KCQAWASRSA-N 386.580 4.460 0 1 GIAF Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)[C@@H](C)Oc1ccccc1Cl 40413875 KQBDVEWGHBWAGH-IEBWSBKVSA-N 386.923 4.197 0 1 GIAF Cc1cccc(Nc2nc(-c3ccncc3NCCN3CCOCC3)cs2)c1 72113726 JICDQRTVJLDBNX-UHFFFAOYSA-N 395.532 4.001 0 1 GIAF C[C@@]1(C(F)F)NCCc2c1oc1cc(S(=O)(=O)c3cccc(F)c3)ccc21 73221588 KJOGLIKJNJFQMM-LJQANCHMSA-N 395.402 4.031 0 1 GIAF CCc1nc2ccc(Br)cc2c(=O)n1-c1nc2ccccc2s1 84709486 JDLMRGLOLRIGFM-UHFFFAOYSA-N 386.274 4.320 0 1 GIAF COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3C(C)C)ccc1-n1cnc(C)c1 95578150 RZJFAXNLNLKCSK-ACEGTKJHSA-N 380.492 4.037 0 1 GIAF CC1(C)CC[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@]2(C)[C@@H]3C(=CC[C@@H]12)CO[C@@H]3O 95591268 VCKBZSACDFEBME-ZLZPLZGWSA-N 398.499 4.055 0 1 GIAF CO/C=C(/C(=O)OC)c1ccccc1COc1c(C)c(-c2ccccc2)nn1C 103197966 DQJLGAOHLFBKQY-HMMYKYKNSA-N 392.455 4.135 0 1 GIAF CC[C@@]1(C(=O)NCCc2cc(Br)cs2)[C@@H](C)C1(Cl)Cl 103282923 HSAZOXSTUROZGE-PELKAZGASA-N 385.154 4.389 0 1 GIAF CCOc1cc([C@H](Nc2ccc(C(=N)N)cc2)c2ncc[nH]2)ccc1OC(C)C 137976678 BHBMIBBTFMPJDB-FQEVSTJZSA-N 393.491 4.081 0 1 GIAF O[C@@H](c1ccccc1)[C@@H](c1ccccc1)N1CCN(CCc2ccccc2)CC1 169334390 RFKXNDDAXMWNQB-FTJBHMTQSA-N 386.539 4.322 0 1 GIAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(C(=O)O)c3)c2F)cn1 212165684 ZMVVONLLQMVZMG-UHFFFAOYSA-N 393.418 4.410 0 1 GIAF CCOC(=O)Cc1ccc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2c1 587027640 YLUMKOQNYLDOHH-UHFFFAOYSA-N 381.457 4.284 0 1 GIAF CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587053977 JUJINGBSMSGXEG-TWGQIWQCSA-N 396.299 4.290 0 1 GIAF COC(=O)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1OC 587074689 CLDSTTIUYRRQQZ-QGZVFWFLSA-N 399.878 4.349 0 1 GIAF Oc1nccc2[nH]c(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)nc12 587119804 FVBLIVFMVOZCQX-UHFFFAOYSA-N 396.332 4.059 0 1 GIAF C[C@@H](c1nc2ccc(CCO)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129488 LIMFKEDCOMDHFD-ZETCQYMHSA-N 390.768 4.432 0 1 GIAF COc1cc(N)c(I)cc1-c1nc2cc(C)cc(C)c2[nH]1 587179079 PJSBCAODZAFICW-UHFFFAOYSA-N 393.228 4.042 0 1 GIAF COc1ccc(C)cc1NCCCc1nc2ccc(Br)nc2[nH]1 587228820 HVHUBADUMASNOS-UHFFFAOYSA-N 375.270 4.082 0 1 GIAF CSc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 587234229 IACGSKFCXTXGFT-UHFFFAOYSA-N 375.494 4.148 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)c3cccnc3)c1)O2 587391008 QSJHDXSYKPKXIP-QHCPKHFHSA-N 387.439 4.105 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518985 SBNJHWASDWYQHQ-FKHUDQKESA-N 383.488 4.299 0 1 GIAF CC(C)(Br)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539401 WDQJUQLHNSLCLP-KSSFIOAISA-N 377.234 4.286 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2)[nH]n1 587596219 PVYWWDBWPUISDK-NZQKXSOJSA-N 384.391 4.485 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccccc2)N1 587740725 KGTIXKPFPDRISJ-OGDHTLJNSA-N 389.312 4.441 0 1 GIAF CCCC[C@@]1(CC(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800852 ZYSXMDBDQWLLFJ-SGTLLEGYSA-N 386.305 4.461 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3c(O)cccc32)N1 587835245 VUYUIPLPVXEVNR-NSPYISDASA-N 376.269 4.408 0 1 GIAF COc1ccc(-c2cccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c2)cc1 587936628 WSSBHXTZFOSIJM-UHFFFAOYSA-N 378.453 4.309 0 1 GIAF CN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(O)cc2)cc1 1857534150 YWAFKNHDMNEFPA-UHFFFAOYSA-N 392.430 4.080 0 1 GIAF CC1=C(C(=O)OCC(F)(F)F)[C@H](c2ccoc2)N2C(=N1)Nc1ccccc12 1857600641 ZFVMPFOCNYFJFP-HNNXBMFYSA-N 377.322 4.002 0 1 GIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@H]12)[C@H]1O[C@H]3C[C@@H]1C(=O)O 2356798138 OXLSIZDDPLIXST-SWFLQQEPSA-N 388.504 4.262 0 1 GIAF c1ccc2c(c1)CCCC[C@@H]2CCN1CCN(c2cccc3c2OCCO3)CC1 13743673 GMDUZTVEAQHOPH-OAQYLSRUSA-N 392.543 4.480 0 1 GIAF Clc1ccc([C@@H]2NC(N3CCOCC3)=NC3=C2CCc2ccccc23)cc1 45253003 YWXSNWXXFNQBPP-FQEVSTJZSA-N 379.891 4.030 0 1 GIAF NNc1nc(N)c2c(-c3ccccc3)cn(-c3ccc(Cl)c(Cl)c3)c2n1 53297074 JYRFPSBWEOVFKK-UHFFFAOYSA-N 385.258 4.262 0 1 GIAF O=C(N1CCC(Oc2ccc(OCc3cccc(F)c3)cc2)CC1)n1ccnc1 72110342 OREWKFOJIMJAPN-UHFFFAOYSA-N 395.434 4.113 0 1 GIAF COC(=O)[C@]1(Cc2cccc(C(F)(F)F)c2)CC(=O)O[C@@]1(C)c1ccccc1 73167297 PSEUHRVPNNBMDC-PMACEKPBSA-N 392.373 4.270 0 1 GIAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)C1 82152483 HHTKMTLPOQHACE-IYBDPMFKSA-N 382.483 4.001 0 1 GIAF COCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc(Cl)cc2)cs1 82192659 HDOHJPSPITYJBV-HNNXBMFYSA-N 381.929 4.053 0 1 GIAF CC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95579059 AONVLWLNGSANCR-OAQYLSRUSA-N 398.934 4.184 0 1 GIAF C[C@H]1C(=O)N[C@@H](c2ccccc2)C/C=C/C[C@@H](C)Oc2ccccc2C(=O)N1C 95663240 AFJZYKXXKFYJLB-OEFUUFEASA-N 392.499 4.122 0 1 GIAF CC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)cc(-c2cccc(=O)[nH]2)c1 96273774 OQYYUJDLDQVJBY-UHFFFAOYSA-N 399.468 4.025 0 1 GIAF NC(=O)CNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1 115759914 BSOPIMFSOHRMNV-UHFFFAOYSA-N 388.402 4.125 0 1 GIAF CC(=O)[C@@H](C/C=C\CCCC(=O)O)CCC[C@@H](O)COc1ccc(F)cc1 169316983 OJECGQVOPDFZFI-VLUBVSIOSA-N 380.456 4.142 0 1 GIAF Cc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 169331497 XRHLWNKYCHYPJE-FKBYEOEOSA-N 394.544 4.075 0 1 GIAF CCc1cc2nccc(Nc3n[nH]c(C)c3C)c2cc1S(=O)(=O)C(C)(C)C 202146224 ZANVLEPAQZKAAQ-UHFFFAOYSA-N 386.521 4.453 0 1 GIAF OC[C@H](NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F)C1CCCCC1 204409157 RGRCNMDCNMNHQV-SFHVURJKSA-N 397.416 4.332 0 1 GIAF CCCCC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C/C=C\CCCCCCC(=O)O 231931669 DTTMKDYOUCSFNN-LNNPJEBOSA-N 396.568 4.213 0 1 GIAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)C3CC3)c(C(F)(F)F)c2)C1 261160633 QUVLTPSEQSBWKS-BBRMVZONSA-N 381.442 4.117 0 1 GIAF Cc1oc(-c2ccc(Cl)cc2)nc1CCCC[C@H]1CO[C@@](C)(C(=O)O)OC1 261190184 YVZGBQZOQTXCAU-LDTOLXSISA-N 393.867 4.480 0 1 GIAF COC(=O)c1ccc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2c1 586977902 VFCXEIREADXQHS-XBXARRHUSA-N 387.233 4.291 0 1 GIAF CCOc1n[nH]c(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1Cl 587065162 LMEHHOKOXOJGRY-UHFFFAOYSA-N 381.692 4.054 0 1 GIAF O=C1C[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)CN1Cc1ccc(F)cc1F 587148051 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Cc1ccc(C(=O)Nc2cccc(N3C(=O)[C@H]4CC[C@H](C)C[C@H]4C3=O)c2)cc1 104299997 HMQHUXKCAGDWOY-RYGJVYDSSA-N 376.456 4.173 0 1 GIAF COc1ccc([C@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3ncnn32)cc1OC 103943488 HJQPNTJSSQUWCA-WOOAAIBNSA-N 398.463 4.110 0 1 GIAF Cn1c(NCCOc2ccccc2)nc2cc(-c3ccc(F)cc3)sc2c1=O 61930257 BECUCZGEKOQLPJ-UHFFFAOYSA-N 395.459 4.292 0 3 GIAF Cc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1CN1CC(C(=O)O)C1 63539289 XNKYXYWPDUHBSC-UHFFFAOYSA-N 380.271 4.397 0 1 GIAF CNC(=N)Nc1ccc(-c2ccc(-c3ccc(NC(=N)NC)cc3)s2)cc1 28707658 WRWKSQOHVLVURZ-UHFFFAOYSA-N 378.505 4.214 0 1 GIAF CNC(=O)/C=C/c1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12 63298080 KNACLJBHKVSTDL-ONEGZZNKSA-N 380.448 4.234 0 1 GIAF CS(=O)(=O)Nc1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O 63540148 OJLMLBGQIFKNGV-UHFFFAOYSA-N 379.441 4.034 0 1 GIAF CN(CCOc1ccc2cc(C(=O)O)n(C)c2c1)c1nc2ccccc2s1 71331258 QBMUMPQHSKKGNP-UHFFFAOYSA-N 381.457 4.001 0 1 GIAF CC(=O)c1ccccc1OCCCN1CCN(Cc2ccc(Cl)cc2)CC1 49803867 ITYJJCQWOCLQKX-UHFFFAOYSA-N 386.923 4.129 0 1 GIAF COc1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc1OCCF 49000141 IGQABOYVCUNLKM-UHFFFAOYSA-N 399.466 4.261 0 1 GIAF in-vitro Cc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1N1CCCC1 49112247 CWOHROWFYXLUGZ-CQSZACIVSA-N 387.915 4.223 0 1 GIAF COc1ccccc1-c1cc2c(Nc3cccc(S(C)(=O)=O)c3)nccc2[nH]1 82078100 HYAHBQXYFPANKZ-UHFFFAOYSA-N 393.468 4.386 0 3 GIAF Cc1ccc(S(=O)(=O)Nc2ccc(-c3cccnc3)c3cccnc23)cc1 473171772 VPWYYBNJVIFKDC-UHFFFAOYSA-N 375.453 4.406 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cn3cncn3)c(C)cc1C)CC2=O 587473928 ANQFOLRLDDNJMC-QFIPXVFZSA-N 391.471 4.308 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC(F)(F)C(F)F)c1)[C@@H](C2)C3=O 587421946 MRYUQBAYJVAQDI-GUYCJALGSA-N 382.309 4.421 0 1 GIAF FC1(F)Oc2cc3nc(-c4ccc5nc(C(F)(F)F)[nH]c5c4)[nH]c3cc2O1 587120232 DNCWYSNFPDFRCZ-UHFFFAOYSA-N 382.248 4.447 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cncc(Br)c2[nH]1)C(C)(C)C 587202561 BCBKDPLMRFEAOM-LBPRGKRZSA-N 397.317 4.202 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(F)c1I)O2 587387379 QUXPFMBVKOITPI-CQSZACIVSA-N 397.187 4.027 0 1 GIAF O=C(Cc1ccccc1)NCCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587228219 JKFOSKSIARCBMW-UHFFFAOYSA-N 397.784 4.016 0 1 GIAF CCn1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587753231 AJZPFJRCGHXSJH-MLCYQJTMSA-N 380.305 4.219 0 1 GIAF CCCCCOc1cc2nc(Cc3cccnc3N)[nH]c2cc1Br 587254864 RRGBXOPCBGZLFT-UHFFFAOYSA-N 389.297 4.462 0 1 GIAF CCOc1cc(C(C)=O)c(OCC)n1-c1cc(C)n(Cc2ccccc2F)n1 587944211 AALQYTMYVPCSPK-UHFFFAOYSA-N 385.439 4.170 0 1 GIAF N[C@H](Cc1cccc(Br)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586985097 YWRJXCNATAJDIQ-SNVBAGLBSA-N 386.080 4.270 0 1 GIAF C[C@]1(c2cccc(N3CCOC3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587513156 ICXSDHHEJZFWPK-HSZRJFAPSA-N 377.440 4.403 0 1 GIAF CCN(C)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587739370 GOFVLAMWVVBIKA-ZMZPIMSZSA-N 378.289 4.063 0 1 GIAF COc1ccc2[nH]nc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587799138 WMZKLIOFOCJFJP-LZVRBXCZSA-N 390.256 4.097 0 1 GIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4c(Cl)ncnc4[nH]3)c2C1 587032504 XGQJUNJFUSTNTC-UHFFFAOYSA-N 391.884 4.028 0 1 GIAF CCOC(=O)[C@@H]1CCCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587800286 WRZJZZFGKLXPIV-PJFSTRORSA-N 398.316 4.461 0 1 GIAF C[C@]1(Cc2ccncc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963715 WXXKUAFPKZWIFI-LJQANCHMSA-N 376.422 4.210 0 1 GIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cn(-c2ccccc2)nc1C(=O)OC 963236207 XUARDIPTZZNQBS-GAJHUEQPSA-N 389.499 4.405 0 1 GIAF COc1ccc2c(c1)[C@](C)(c1nnn(-c3cccc(Cl)c3)c1C)N[C@H]1CC[C@H]21 962999675 ZBXPTIQAENGGBH-KAGYGMCKSA-N 394.906 4.350 0 1 GIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccc(S(C)(=O)=O)c(OC)c1 963234004 DTQJHIGDXTXFJS-AOMKIAJQSA-N 387.545 4.019 0 1 GIAF C[C@]1(c2ccc(Br)c(N)c2)c2c(F)cccc2C[C@H]2CCCN21 963112104 WOWJBJYABQAFFF-KUHUBIRLSA-N 375.285 4.454 0 1 GIAF CN(C)CC1CCN([C@@H]2CCC[C@]3(C2)c2c(F)cccc2C[C@@H]2CCCN23)CC1 963108532 PDBLASRIIKTPSF-FBLLAGFSSA-N 399.598 4.258 0 1 GIAF O[C@@H](c1ccccc1)[C@H]1CN(CCc2ccccc2)CC[C@@]1(O)c1ccccc1 169294428 GCIDVMBGOFFCEG-UODIDJSMSA-N 387.523 4.172 0 1 GIAF Cc1ccc(-c2c[nH]c(Nc3cc(-c4ccc(C)cc4)n(C(N)=S)n3)n2)cc1 169350086 UASKPSOLHSVXCU-UHFFFAOYSA-N 388.500 4.392 0 1 GIAF CCN(CC)CCNC(=O)c1ccc2c(c1)sc1nc(-c3ccccc3)cn12 6748754 CMBCDZYOWIMXCH-UHFFFAOYSA-N 392.528 4.288 0 1 GIAF NCCCn1c(Sc2ccc(C(=O)Nc3ccccc3)o2)nc2ccccc21 1857563955 LRJFHMVHFYNTDG-UHFFFAOYSA-N 392.484 4.382 0 1 GIAF Cc1ccc(-n2cc(OCc3cn(Cc4ccccc4Cl)nn3)cn2)cc1 1857604981 ZIGCLIDNYRKESM-UHFFFAOYSA-N 379.851 4.053 0 1 GIAF CC(=O)Nc1ccc2c(c1)[C@H](Nc1ccc(Cl)cc1)CCc1nnc(C)n1-2 1857613440 NLKWJHNECYKRTA-GOSISDBHSA-N 381.867 4.287 0 1 GIAF C[C@H](Nc1cc(=N[C@H](C)C2CC2)nc(-c2cccc(C(F)(F)F)n2)[nH]1)C1CC1 1857655230 MEKMADZCSPFPMP-TXEJJXNPSA-N 391.441 4.400 0 1 GIAF O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1nccs1 5101124 BHCJSUWNSLTRNB-UAFMIMERSA-N 386.476 4.386 0 1 GIAF COc1ccc(Nc2[nH]c(C(C)=O)c(N)c2C(=S)Nc2ccccc2)cc1 5833480 AUGNKZZHJKWSRQ-UHFFFAOYSA-N 380.473 4.339 0 1 GIAF CCOC(=O)c1sc2cc(-c3ccc(Br)cc3)oc(=O)c2c1N 6403611 WUEFEJKTHSVLDY-UHFFFAOYSA-N 394.246 4.043 0 1 GIAF COc1ccccc1-c1nnc(C2CCN(C(=O)c3ccccc3C)CC2)o1 6737468 USALTDZMEUYNOX-UHFFFAOYSA-N 377.444 4.073 0 1 GIAF CC(C)CNC(=O)c1cccnc1[S@](=O)C(c1ccccc1)c1ccccc1 13605225 VYMHDRDZVJCNEN-NDEPHWFRSA-N 392.524 4.365 0 1 GIAF CC[C@@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3cc(OC(C)=O)ccc3n21 13650951 XNOUGELKYILKNV-MRXNPFEDSA-N 391.423 4.479 0 1 GIAF COc1ccc2[nH]c3c(c(=O)c2c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)cc1)C3 27085766 VATBZNCQULVFBT-LBPRGKRZSA-N 387.357 4.468 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1cccc([C@@H](C)N3CCCC3)c1)C2 28334793 JJRNYZDOVACYLA-QRQCRPRQSA-N 381.472 4.047 0 1 GIAF CCN(CC)C(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 28568685 NUYXZZNRVPOMFS-MGCBDGKESA-N 383.532 4.302 0 1 GIAF in-vivo COc1ccc(CC(=O)N[C@H](CCN(C)C)c2ccc3ccccc3c2)cc1 28654032 SYDWSPRQZNMSQS-HSZRJFAPSA-N 376.500 4.200 0 1 GIAF CCC(CC)Nc1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12 40408025 ZGIOGLGWJKWDIM-UHFFFAOYSA-N 381.528 4.086 0 1 GIAF COc1ccc(-c2ccccc2)cc1OCCNC[C@H]1COc2ccccc2O1 40568354 KHXNVNNRQVTRJN-FQEVSTJZSA-N 391.467 4.171 0 1 GIAF COC(=O)c1cccc(-c2noc(C(=O)CCCCCCc3ccccc3)n2)n1 40880844 GNGWRUQOAKCSHC-UHFFFAOYSA-N 393.443 4.294 0 1 GIAF CCOC(=O)CC1=NC[C@@H](c2cccc(OCc3ccc4ccccc4n3)c2)O1 100816962 RXMOAWBBTKMXHK-NRFANRHFSA-N 390.439 4.237 0 1 GIAF O=C(O)[C@H]1[C@H](Cc2c[nH]c3ccccc23)CCN1C(=O)c1ccc2ccccc2c1 103255424 KJXIJMCTHOJNEM-FDDCHVKYSA-N 398.462 4.479 0 1 GIAF C[C@@H](C(=O)Nc1ccc([C@@H]2CCNC2)cc1)c1cccc(OC(F)(F)F)c1 117730618 WVSFHQCMHLKFOQ-CZUORRHYSA-N 378.394 4.404 0 1 GIAF COc1ccc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2)cc1 118859745 GAHOQBHYBQXWSW-UWJYYQICSA-N 379.504 4.011 0 1 GIAF CO[C@@H](COc1cccc(CNC2CCCC2)c1)CN1CCc2ccccc2C1 219776434 OOIBVZIBIMVZRK-RUZDIDTESA-N 394.559 4.171 0 1 GIAF COc1cc(O)c(-c2coc3cc(O)cc(O)c3c2=O)c(OC)c1CC=C(C)C 238757627 GYCKPTRFNFHGGO-UHFFFAOYSA-N 398.411 4.103 0 1 GIAF CN1[C@H]2CC[C@H]1[C@H]1COC(=O)CCCCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 253679887 VSVUJKJXMNJRFE-CMOCDZPBSA-N 398.547 4.479 0 1 GIAF CC[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 586890161 NKTIBXUTBOEVHP-UZLBHIALSA-N 385.489 4.276 0 1 GIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587076588 XDACGCIOCCDGRS-UHFFFAOYSA-N 377.835 4.262 0 1 GIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2c(Br)ccnc2[nH]1 587108649 NUZWCLCUALZNIC-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(Br)ncc2[nH]1)C1CCCC1 587223450 BRKLYJCDXVADIK-AWEZNQCLSA-N 395.301 4.476 0 1 GIAF Cc1cnc(Cl)c2[nH]c([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc12 587258546 NAFSNGPMBFDJBI-INIZCTEOSA-N 393.878 4.492 0 1 GIAF O=N[C@@H]1Cc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587338329 PPSNERMHMNLBJZ-MQSCRBSSSA-N 389.382 4.477 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 587356594 KGPGBVBIWSTEMR-FYYLOGMGSA-N 392.382 4.274 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(C=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 587356909 LJTPBLIWKBLFJL-FYYLOGMGSA-N 390.366 4.397 0 1 GIAF C[C@@H](Oc1cccnc1)[C@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587514243 WEMHZCDUNLTRHZ-FTPNVNDKSA-N 392.499 4.207 0 1 GIAF O=C1C[C@@H](c2ccc(OCc3ncon3)cc2)Oc2c1ccc1c2CCCC1 587525829 OOVVOLKJLGLGKL-FQEVSTJZSA-N 376.412 4.234 0 1 GIAF C[C@]1(c2ccc(-n3cccn3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582766 QUSBSFHTLGAFTQ-XUZZJYLKSA-N 398.418 4.455 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c[nH]2)N1 587679935 GBIXJMHZTCHGMP-WJWGPLDTSA-N 388.078 4.302 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)cc2F)N1 587724691 LGUYLIVGZKBQIV-ZKANADHPSA-N 382.204 4.049 0 1 GIAF COc1ncc(C)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587766400 GBVJYUGFIBMIMV-ZMZPIMSZSA-N 379.273 4.098 0 1 GIAF CCC[C@]1([C@@H](C)C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587792707 CEVJHMZDZVQKIR-FTLABTOESA-N 386.305 4.317 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C=C1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587793386 DRWNYPJCLKAPMB-BBEJJTJUSA-N 396.300 4.237 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587811230 VWSQSDNLEMTEGO-ADLMAVQZSA-N 392.268 4.307 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@@H](C3(C)C)[C@@]2(C)O)N1 587829069 VUBWUZOVDXWTPY-ZLMCBENZSA-N 382.317 4.135 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NC(=O)C(C)(C)C 587866004 AGOPUVASQPBPFI-UHFFFAOYSA-N 399.438 4.263 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc2c1cnn2C 587866585 NNUDZQVSGUIIFX-UHFFFAOYSA-N 387.365 4.239 0 1 GIAF Oc1nccc(NC2CCN(Cc3ccccc3)CC2)c1-c1nc2ccccc2[nH]1 653720573 IMZBUBAGLTVLHA-UHFFFAOYSA-N 399.498 4.407 0 1 GIAF COC(=O)[C@@]1(c2c(Cl)ccc(F)c2Cl)NCCc2ccc(F)c(C)c21 962293848 ALGJWBIUPCUZTN-GOSISDBHSA-N 386.225 4.142 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@H](c2cc(F)c(Cl)nc2Cl)N1)C(F)(F)F 962730160 LZYMADUDLOVHRU-VXGBXAGGSA-N 393.167 4.263 0 1 GIAF CN1CCc2c(Br)cccc2[C@@]1(c1ccncc1)[C@H]1CCSC1 963290730 XUZUUTBWEBTNHF-HNAYVOBHSA-N 389.362 4.329 0 1 GIAF C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(-c2cncnc2)cc1 1857611832 MIXJWDKIAHXTCS-MRXNPFEDSA-N 383.455 4.035 0 1 GIAF CN(C)C(=O)c1ccc(-c2cc[nH]c3nnc(-c4ccc(N(C)C)cc4)c2-3)cc1 1857615318 PLMZDZYIWWDPMS-UHFFFAOYSA-N 385.471 4.011 0 1 GIAF Cc1cc2[nH]c(=NC3CCNCC3)n(Cc3ccc(F)c(Cl)c3)c2cc1C 1857644893 JNXYXUMYNYRADS-UHFFFAOYSA-N 386.902 4.080 0 1 GIAF CCCNc1ccc(C(=O)O)cc1NC(=O)c1cn(C(C)=O)c2ccccc12 1857749228 SNTOYZFHRGZNAY-UHFFFAOYSA-N 379.416 4.074 0 1 GIAF Cc1ccc2nc(C[C@@H]3CN(CC4CCCCC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356305931 UELBQRDBLAFPTB-RBUKOAKNSA-N 383.536 4.407 0 1 GIAF CC(=O)O[C@@H]1C[C@](C)(O)[C@H](CCC(C)=CC(=O)O)[C@]2(C)CCCC(C)(C)[C@H]12 2356536922 DWCQGHONFHUARJ-AJYQEWAOSA-N 380.525 4.333 0 1 GIAF C[C@]1(c2nnc(-c3ccncc3)o2)CC(c2c(Cl)cccc2Cl)=NO1 13478328 QNAJKBNKOMOVAK-QGZVFWFLSA-N 375.215 4.478 0 3 GIAF Cc1cccc(NC(=O)N[C@H]2C[C@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)c1 13455318 KFPJTANOVZYLIQ-LSDHHAIUSA-N 394.258 4.433 0 1 GIAF CC(C)N(C[C@H](O)COc1ccccc1[C@H](O)CCc1ccccc1)C(C)C 13529065 DNWOJSUBWJDTES-JTHBVZDNSA-N 385.548 4.211 0 1 GIAF COc1c2c(cc3oc(=O)c(-c4ccc5c(c4)OCO5)c(O)c13)OC(C)(C)C=C2 14687503 LCSCNPZJBMHOJH-UHFFFAOYSA-N 394.379 4.087 0 1 GIAF biogenic Cc1ccc(C[C@H](N)COc2cncc(-c3ccc4[nH]nc(C)c4c3)c2)cc1F 14961708 AYHSIFYQYXUXBQ-IBGZPJMESA-N 390.462 4.330 0 1 GIAF CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(C)c2[C@@H]1O3 26152784 BLDNOAIVFGARLP-QFIPXVFZSA-N 376.456 4.411 0 1 GIAF O=C1O[C@@H](O)C(c2cccc3c2Sc2ccccc2S3)=C1Br 28639981 BPBHJOKYYDGIFG-OAHLLOKOSA-N 393.283 4.284 0 1 GIAF CCCCc1ccc(-c2cc(CC(C)C)cc(C(=O)Nc3nnn[nH]3)n2)cc1 29316433 NULOIBQEMHUWFH-UHFFFAOYSA-N 378.480 4.055 0 1 GIAF Fc1ccc2[nH]cc(CCN3CCC[C@@H](c4ccnc(NC5CC5)n4)C3)c2c1 40405990 BSUPTTROFNUYJX-MRXNPFEDSA-N 379.483 4.093 0 1 GIAF in-vitro Cc1ccc(C(C)C)c(Oc2cnc(N[C@@H](CO)c3ccccc3)nc2N)c1 45228233 VFAZOZZWOZXHOB-SFHVURJKSA-N 378.476 4.428 0 1 GIAF Nc1cccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)cc2)c1 45350078 QKOSTJAOWXFLAS-UHFFFAOYSA-N 388.398 4.136 0 1 GIAF CCOC(=O)c1c(NCc2ccccc2)sc2c1CCN(C(=O)OCC)C2 73196682 LBTSZGHJXZAGRL-UHFFFAOYSA-N 388.489 4.052 0 1 GIAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]24CC[C@@]3(C[C@H]2C(C)(C)C(C)(C)O4)[C@H]1C5 84703923 FTOZVQKYOSPMCR-DHBKHMDTSA-N 395.543 4.025 0 1 GIAF CNC(=O)CCCc1nc(-c2nc(C)cs2)c(-c2ccc3ncsc3c2)[nH]1 95563036 WBAQEOXZGRCZMY-UHFFFAOYSA-N 397.529 4.187 0 1 GIAF Brc1ccccc1/C=C/c1nnc(-c2ccc3c(c2)OCCO3)o1 96269805 TXQYUAFJACTSLF-SOFGYWHQSA-N 385.217 4.441 0 1 GIAF CC(=O)c1ccccc1-c1cccc(-c2cc(=O)cc(N3CCOCC3)s2)c1 101077840 GXCQRHNWULJPBV-UHFFFAOYSA-N 391.492 4.482 0 1 GIAF O=C1CCCCCCCCCC[C@@H](NS(=O)(=O)c2ccccc2)CCCN1 103215453 XVDPQQOAINIPHI-LJQANCHMSA-N 394.581 4.145 0 1 GIAF ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]([C@@H]4C[C@H]3[C@@H]3O[C@H]43)[C@@]1(Cl)C2(Cl)Cl 169308988 DFBKLUNHFCTMDC-ZCAPJZFQSA-N 380.913 4.481 0 1 GIAF CC(=O)OCC1=CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]12CC[C@](C)(CC(=O)O)O2 238740829 CUIYYSCXUREZKH-CIQXWFTPSA-N 378.509 4.495 0 1 GIAF COc1nccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586959137 IUGPJOCIWNJRMH-MHZLTWQESA-N 377.469 4.005 0 1 GIAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(OCCN(C)C)cc2[nH]1 587027127 PMUGYJMLGSIHPK-UHFFFAOYSA-N 382.489 4.119 0 1 GIAF Cc1ccc2nc([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2n1 587030940 KCZQCPMOEDUZBR-DELQEKLWSA-N 385.518 4.393 0 1 GIAF Fc1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1Br 587039049 BRTHVPQFNRLMGT-KBPBESRZSA-N 392.297 4.411 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(F)cc(F)c3[nH]2)cc1 587040715 ATRIVVZEYGDOAC-MRXNPFEDSA-N 389.427 4.128 0 1 GIAF N[C@H](N=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587041952 QLSGYWKKWLQGMV-QGZVFWFLSA-N 386.502 4.344 0 1 GIAF CC1=C(c2ccc3nc([C@@H](C)Oc4ccc(Cl)cc4C)[nH]c3c2)NNC(=O)C1 587067480 CGIFIAQERAZBMJ-CYBMUJFWSA-N 396.878 4.420 0 1 GIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cncc(Br)c2[nH]1 587109552 YEFRQIPFOGKZSZ-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF O=C(c1nc2cc3c(cc2[nH]1)OCCCO3)c1c(Cl)ccc(F)c1Cl 587132831 INGYJJFDGDRMCB-UHFFFAOYSA-N 381.190 4.401 0 1 GIAF O=C(N[C@@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccccc1 587222989 NAXBPPMDQKNZEV-QFIPXVFZSA-N 399.450 4.244 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccnc(Br)c2[nH]1)C1CCCC1 587223633 CQSQXDBAFHHLRE-GFCCVEGCSA-N 395.301 4.476 0 1 GIAF CC[C@H](Oc1ccccc1)C(=O)c1c(CO)oc2cc(Br)cnc12 587274140 SYENXTYVFKMLAS-ZDUSSCGKSA-N 390.233 4.123 0 1 GIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc1 587339461 QIWLTQWMOKHWJM-UNMCSNQZSA-N 379.387 4.209 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccc(Br)cc1)O2 587372781 REWVURPRBYMKDN-QGZVFWFLSA-N 398.260 4.436 0 1 GIAF CCn1cc(-c2cc3ccccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cn1 587393828 NRBRBBFPHVEHNG-NRFANRHFSA-N 386.455 4.420 0 1 GIAF CCCCn1nc(C(F)(F)F)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423130 RCIRUZIVVBLBKK-XIKOKIGWSA-N 380.366 4.199 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccccc1C)CC2=O 587484596 SOWAKUZVHGTPOL-HSZRJFAPSA-N 382.456 4.467 0 1 GIAF CC(=O)OC[C@@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509178 XMMPXUYEXUCXJO-JOCHJYFZSA-N 386.394 4.267 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)O)c(F)c2)N1 587726724 ZGGHSOHWBHEDLJ-NIVTXAMTSA-N 396.231 4.223 0 1 GIAF CC(=O)[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587733416 RERVINOTOJOCJK-MGNBDDOMSA-N 380.232 4.094 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN(C)C)cc2)N1 587740322 JFCRHZMPBQKJMW-HXPMCKFVSA-N 377.301 4.273 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-n3ccnc3)c2)N1 587757460 VRZNETJROQUMBV-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF CC(C)CCN1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587766327 GLELYMFIWUZDDJ-AWEZNQCLSA-N 383.349 4.460 0 1 GIAF COc1ccc2c(c1)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587809129 PTIQLMWKDHECAO-WYRIXSBYSA-N 376.269 4.321 0 1 GIAF COc1cccc2c1CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587810768 UMWLVDOJDMJVBQ-WLRWDXFRSA-N 376.269 4.321 0 1 GIAF Cc1nc2sccn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587853591 AMBIKBOZMLINES-XLKFXECMSA-N 380.286 4.229 0 1 GIAF COc1ccc(C[C@H](C)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1OC 587927955 ZSNQJTAVQFXNJB-JTQLQIEISA-N 376.359 4.248 0 1 GIAF COc1ccc([C@@H]2COc3c(cc(C=O)c4c3C=CC(C)(C)O4)C2)c(OC)c1 653856289 WKZUYSLYZJUHOD-INIZCTEOSA-N 380.440 4.419 0 1 GIAF COCCCN1CCc2ccc(OC)cc2[C@@]1(C)[C@@H](C)CCCCC(=O)OC 961319314 HPKPOHSQALMQJN-FDDCHVKYSA-N 391.552 4.175 0 1 GIAF COc1cc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)cc(F)c1OC 961618212 YMGWUSAJGISYKX-QGZVFWFLSA-N 392.268 4.373 0 1 GIAF Cc1c(F)ccc2c1[C@@H](c1ccc(I)cc1F)NCC2 962143617 IICYXRBDCDXZCD-MRXNPFEDSA-N 385.195 4.113 0 1 GIAF Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@H]2NCCc3nc4ccccn4c32)c1 962984839 OCCHHTARQIRWFO-BXKMTCNYSA-N 388.559 4.418 0 1 GIAF CN1C(=O)C(=O)c2c1ccc1c2[C@H](CC(=O)Nc2ccccc2)Nc2ccccc2-1 1772580280 SMDSIKSPWGIMCP-SFHVURJKSA-N 397.434 4.008 0 1 GIAF CC(C)c1ccc(NC(=O)c2c(-c3ccco3)ncnc2N2CC[C@H](F)C2)cn1 1857610311 ODFKLAFYAGXFDC-AWEZNQCLSA-N 395.438 4.056 0 1 GIAF C[C@@H]1CCC[C@@H]2OC(C)(C)O[C@@H]2CCC=Cc2cc(O)cc(O)c2C(=O)O1 2356328681 YQBDPTQRQMXVTH-XWIAVFTESA-N 376.449 4.141 0 1 GIAF CC(C)NC(=O)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 7992661 HUBWLMHBJZQIJK-SXWKCWPCSA-N 380.488 4.205 0 3 GIAF COc1ccccc1-c1cnc([C@H](O)c2ccc(CN3CCCCC3)cc2)[nH]1 61925801 WGZGXTVFYRKXJU-JOCHJYFZSA-N 377.488 4.153 0 3 GIAF NC(=O)N(O)Cc1ccc(OCc2csc(-c3ccc(Cl)cc3)n2)cc1 836110 SHOVPBKJGIBJBB-UHFFFAOYSA-N 389.864 4.312 0 1 GIAF O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(NC(=O)[C@H]2CCCO2)cc1 4875505 YTTYLZDVQFSGHO-MRXNPFEDSA-N 378.350 4.075 0 1 GIAF COc1cc([C@H]2SCC(=O)N2c2ccccc2Cl)cc(OC)c1OC 6003738 JIXDELGPRVHNPA-GOSISDBHSA-N 379.865 4.144 0 1 GIAF CSc1ccc2c(c1)c(=O)c(C(=S)N(C)c1ccccc1)c(S)n2C 100828938 YBWQBCRYOPHGJQ-UHFFFAOYSA-N 386.567 4.361 0 1 GIAF Clc1cccc(-n2ncnc2NCc2cccnc2N2CCCC2)c1Cl 29126716 YLQKDPPGEQXFEU-UHFFFAOYSA-N 389.290 4.181 0 1 GIAF CC(C)CN(C=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36189609 NXXBOHRMYWWVFA-NSKGFJSOSA-N 388.596 4.333 0 1 GIAF O=C(N[C@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccccc1O 71335190 AIVTXGMGZMXUBO-IBGZPJMESA-N 380.831 4.155 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](C(=O)c5ccc[nH]5)CC[C@H]4[C@H]3CC[C@@H]12 34315798 ADCZPIWAYHWQLK-PEDPXRSFSA-N 380.532 4.453 0 1 GIAF CNCC(=O)CC1=C(C)/C(=C/c2ccc([S@](C)=O)cc2)c2ccc(F)cc21 43076545 FYNTVQQZPGGYEH-GPODSMCWSA-N 383.488 4.069 0 1 GIAF CCc1ccc(-c2nc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cs2)cc1 587653459 HWBPZPYEEDSHNL-UHFFFAOYSA-N 395.871 4.424 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccccc2N[C@@H]1c1ccccc1 587402179 VNXJBUJMAPKMMY-VWNXMTODSA-N 384.435 4.331 0 1 GIAF CCC(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587707783 WVFLBTJPGVIDDN-XLKFXECMSA-N 382.195 4.249 0 1 GIAF CC(=O)N[C@@H](Cc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(C)cc1 587205561 CCBYCYLHOZVKBU-HNNXBMFYSA-N 390.256 4.193 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1ccc(C)n1 587860528 WAMNHMOMHCLLOD-UHFFFAOYSA-N 379.247 4.101 0 1 GIAF O=C(COc1cccc(F)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659253 ZNXZTBVRCOVNJC-UHFFFAOYSA-N 392.361 4.061 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(COc4ccc(F)cc4)o1)[C@@H](C2)C3=O 587426566 DQEXPAMPWXEINV-HTAPYJJXSA-N 380.371 4.495 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCOC)c(OC)c1)CC2=O 587484732 UTLJJJUXPOMSDK-HXUWFJFHSA-N 386.444 4.085 0 1 GIAF C[C@H](O)[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587704458 UMZXXVMCICWCPR-DDBGAENHSA-N 398.703 4.400 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C2(C)CC2)(C(F)F)N1 587723076 VGEJSIJYOSIVMT-HUTHGQBESA-N 390.243 4.342 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N2CCCCCC2)N1 587764592 GFVHBDJOOHGFRQ-DJJJIMSYSA-N 397.332 4.130 0 1 GIAF CCOC(=O)[C@@H]1CC[C@@H](c2ccccc2)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587398295 DJPNMVDYZFDPDO-BSRJHKFKSA-N 379.456 4.038 0 1 GIAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 586997261 VQQOYRJDFVBSIX-UHFFFAOYSA-N 393.212 4.477 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4cc(Br)ccc4C[C@H]1C)[C@@H](C2)C3=O 587419006 RADLLWPBFDHCNG-YZSZRTLCSA-N 385.257 4.293 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(F)c(Br)c1)[C@@H](C2)C3=O 587422398 DCAUIEFJRVPAQF-KPZWWZAWSA-N 377.209 4.260 0 1 GIAF Cc1nc2ccccn2c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587774129 LQIBZOOANZYDQY-NSPYISDASA-N 388.284 4.342 0 1 GIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)cc2N1 587125061 PCSUGPSOSGHIEU-RNCFNFMXSA-N 378.402 4.426 0 1 GIAF Nc1cncc(-c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c1 587253480 ADWASSHDCCSGKO-UHFFFAOYSA-N 397.360 4.478 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC(C(=O)c1ccccc1)(C(=O)c1ccccc1)O2 587405080 JHAOQIJALZBGCQ-UHFFFAOYSA-N 385.419 4.047 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-n3cccn3)c2)N1 587759718 MKGNGVODVBCICW-BLVKFPJESA-N 386.268 4.398 0 1 GIAF COC(=O)CCCC[C@@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427479 IDZGEWLLVNSOIB-JPYJTQIMSA-N 398.430 4.211 0 1 GIAF CCCCC[C@@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587798623 PPSWQIPKSVRXKP-KZULUSFZSA-N 386.305 4.461 0 1 GIAF CN(C)C(=O)c1ccc2c(c1)[C@]1(CCC[C@@H]1Cc1ccc(Cl)cc1)NCC2 962926713 UIBWJTXRAYBTMH-AUSIDOKSSA-N 382.935 4.426 0 1 GIAF Cc1cc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)o1 963180615 QESHVWMYIGRDKV-SUMWQHHRSA-N 387.785 4.431 0 1 GIAF COc1ccc2[nH]c3c(c2c1)[C@]1(CCC3)NCCc2cnc3c(OC)cccc3c21 963054712 JISNGCOORPHIPQ-RUZDIDTESA-N 399.494 4.459 0 1 GIAF Cc1c2ccccc2nc2c1c(C(F)(F)F)nn2CC(=O)NC1CCCCC1 1772655213 MXFGLAPWSZRUAP-UHFFFAOYSA-N 390.409 4.361 0 1 GIAF COc1ccc([C@@H]2CC[C@H](OCCCn3c(C)nc4cnccc43)O2)cc1OC 11686729 KKDADHNDCVRXHS-SIKLNZKXSA-N 397.475 4.041 0 1 GIAF Cc1ccn2c(C(=O)Nc3cc(-c4noc([C@H]5C[C@@H]5F)n4)ccc3C)cnc2c1 206115580 KIRYEJRGNGQAGY-GJZGRUSLSA-N 391.406 4.079 0 1 GIAF O=C(O)Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc21 3815152 CBFIWURGLMUIDN-UHFFFAOYSA-N 397.232 4.175 0 1 GIAF O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(F)cc21 11536153 YAKLHRCDDYEKID-UHFFFAOYSA-N 394.349 4.483 0 1 GIAF O=c1cc(N2CCOCC2)oc2ccc(-c3ccc(OC(F)(F)F)cc3)cc12 13677090 GQXBLLJJFLIGIU-UHFFFAOYSA-N 391.345 4.195 0 1 GIAF O=C(c1ccc(Cl)cc1)N1CCN2Cc3ccccc3-n3cccc3[C@@H]2C1 27521864 LLBNRPPLFILYDY-NRFANRHFSA-N 377.875 4.143 0 1 GIAF CCC[C@@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(F)cc1 28823164 OXDRUSUGTYNQAM-CYBMUJFWSA-N 385.888 4.355 0 1 GIAF O=C(Nc1ccc(OCc2ccccn2)nc1)N1CCc2c(Cl)cccc21 29485243 XLSCFWFTYUTRTQ-UHFFFAOYSA-N 380.835 4.304 0 1 GIAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(-c3ccccc3C(C)=O)cc1)N2C 34339180 IKFLALJPMIMFEC-HGSOSGBHSA-N 377.484 4.296 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CCC[C@]4(C)[C@@H]3CC[C@@]21C 40684740 ARCONGNMKCTCRP-KRLYBMSPSA-N 388.596 4.382 0 1 GIAF O=C(/C=C/c1ccccc1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 58592360 KGTKYZBIWKJQOM-VQHVLOKHSA-N 375.299 4.351 0 1 GIAF Cc1cc(Cl)ccc1OCC(=O)O[C@H](C)P1(=O)OCC(C)(C)CO1 103174180 AYROFJQHKOOYBK-LBPRGKRZSA-N 376.773 4.183 0 1 GIAF O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](OCc2ccc(F)cc2)C1 103251188 UTQCPCDRZXGQQU-HNNXBMFYSA-N 383.341 4.338 0 1 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@@H](OC(=O)C(C)C)CC[C@H](C)[C@@]12C 238773038 XHTHGRNWGBDAAM-ABNNWSJISA-N 376.449 4.009 0 1 GIAF CN(C)S(=O)(=O)c1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)o1 586931606 ZLHNVRVJZPUNQV-UHFFFAOYSA-N 399.497 4.224 0 1 GIAF CCc1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 586952395 COVBSKRCIQWILT-UHFFFAOYSA-N 384.486 4.050 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(CO)cc3[nH]2)C[C@H]2CCCC[C@H]21 587026731 MJOXMALBOJZJCQ-AHRSYUTCSA-N 395.528 4.192 0 1 GIAF COc1cc(OC)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 587077051 RDZYLWFAJWJRFV-UHFFFAOYSA-N 384.823 4.069 0 1 GIAF O=C(NCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)OCc1ccccc1 587228739 XMFZTEACOGHFRT-UHFFFAOYSA-N 381.329 4.190 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(O)cc32)[C@@H]1c1ccc(F)cc1 587356818 RPVUXWNNIWULHW-FYYLOGMGSA-N 376.383 4.438 0 1 GIAF CCOC(=O)c1ccc(-n2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587389884 KTENYXHIQMKXAK-OAQYLSRUSA-N 390.439 4.251 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ncc(-c3ccco3)[nH]1)(c1ccco1)O2 587396686 NVXAZOWCAZSXOF-OAQYLSRUSA-N 375.384 4.062 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@H](C)CC(=O)O)[C@@H](C2)C3=O 587421213 UGXXJZQVWHFZQH-DBLBYYFGSA-N 386.831 4.102 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCN([C@H](C)c4ccccc4)[C@@H](C)C1)[C@@H](C2)C3=O 587436291 PQYJUWACYFCCEB-BCGPCHPTSA-N 377.484 4.427 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@H](C)C(=O)OCC)CC2=O 587493798 HYKUQLKGZDZXSD-ASSNKEHSSA-N 388.485 4.466 0 1 GIAF Cc1nc(O)c(Cl)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544483 DUDSAVNLWLMLNN-UTKZUKDTSA-N 397.814 4.332 0 1 GIAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587555649 QTWXGKKQUXVDQD-SIKLNZKXSA-N 379.387 4.300 0 1 GIAF O=Cc1ccc(OCCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 587566216 AUKYHSAYJHOEBW-UHFFFAOYSA-N 381.176 4.038 0 1 GIAF CC(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587577160 JHKLYERAUDUMKV-KNQAVFIVSA-N 375.380 4.054 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccccc2)c1 587583684 WOMMXTFRNJFZMZ-OFNKIYASSA-N 384.391 4.281 0 1 GIAF C[C@@H](O)Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587614901 DMSMOQYTGJBFPR-HCVAFPHWSA-N 376.408 4.018 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nn(C)cc3c2)N1 587757229 GJFIPYISOSGDAM-NSPYISDASA-N 388.284 4.273 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccccn2)N1 587773272 QAKRKVUIDPJOIH-ADLMAVQZSA-N 377.257 4.006 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3cccnc3c2)N1 587779163 QMQNCBQMJCSWAK-JEOXALJRSA-N 386.268 4.329 0 1 GIAF COc1nccc2[nH]cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 587801622 HMMXUNQUXWXIMM-XYZCENFISA-N 390.256 4.097 0 1 GIAF CSc1ncc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587848745 XRNJXNUVJMNKOC-VVVCHXIZSA-N 396.329 4.206 0 1 GIAF COC[C@]1(c2cccc(Cl)c2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962634771 LLZCXCQNUPDJBZ-SZNDQCEHSA-N 375.896 4.124 0 1 GIAF CS(=O)(=O)c1ccc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cc1F 962671651 UGYHWGYEGULIFZ-QFIPXVFZSA-N 381.472 4.131 0 1 GIAF COc1ccc(CC[C@@]2(C3CCCC3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962896222 LILNFBHOPRNWSU-UPVQGACJSA-N 397.490 4.452 0 1 GIAF CCCCCc1ccc([C@@]2(C(=O)OCC)NCCc3c2c(C(C)C)nn3C)cc1 962918185 NGXJIEKZELEPCT-XMMPIXPASA-N 397.563 4.229 0 1 GIAF C[C@@H]1N(Cc2ccccc2)[C@H](C)[C@H](C)C[C@]12NCCc1c(C(=O)O)cccc12 963128130 ZRWSJGIFKQAFFA-SXTKOZQMSA-N 378.516 4.045 0 1 GIAF CC[C@@]1(C2CCCC2)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963150156 QNHCMSXHYJBQOK-AUUYWEPGSA-N 380.510 4.185 0 1 GIAF CCCc1nnc(-c2ccc([C@@H]3N[C@@H](C)Cc4c(OC)ccc(OC)c43)cc2)o1 963583944 RTKPSMFMYVIFMP-FPTDNZKUSA-N 393.487 4.330 0 1 GIAF COc1cc(C)cc(OC)c1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772593846 LZXIHXXTLJVZAZ-INIZCTEOSA-N 385.391 4.413 0 1 GIAF Cc1nnc2sc(C(=O)NCc3ccccc3-c3ccccc3)c(N)c2c1C 1857744072 FZKREJMXGAEATE-UHFFFAOYSA-N 388.496 4.487 0 1 GIAF CC1=C2C3=C[C@@]4(C)O[C@]5(CC(C)C)NC(=O)[C@]3(C(=O)C[C@@H]2CCCC1)[C@H]5[C@H]4C 2356728215 CFVDPKHKEWPBHC-ZVKHUZMISA-N 383.532 4.306 0 1 GIAF CC(C)=CCCC(C)=CCC[C@@]1(C)Oc2c(c(O)cc3c2CNC3=O)C[C@H]1O 2356754763 XGUHYRYUXUVLOK-NFBKMPQASA-N 385.504 4.163 0 1 GIAF CC(=O)c1cccc(NC(=O)[C@H]2Cc3c(-c4cccc(F)c4)ccnc3O2)c1 61930209 BBCBYHRRUMTLNF-HXUWFJFHSA-N 376.387 4.033 0 3 GIAF COc1c2c(c(OC)c3occc13)O[C@H](c1ccc3c(c1)OCO3)C[C@@H]2OC 13376247 OWINHPGFEPOUFB-HOCLYGCPSA-N 384.384 4.390 0 1 GIAF biogenic COc1cc(OC)c([C@H]2CCCc3c(OC)cc(OC)c(OC)c32)cc1OC 14635684 YMXBJIPWIQCYMH-CYBMUJFWSA-N 388.460 4.206 0 1 GIAF biogenic CCCc1ccc(C(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 26378078 HVCKSMJQYHBENY-QHCPKHFHSA-N 397.478 4.185 0 1 GIAF C[C@H](Sc1ccc(Br)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 29416396 BTSSXYAVXYRPTA-YXQSOJMXSA-N 384.339 4.098 0 1 GIAF COc1cc([C@@H](CC2=CCCCC2)NC(=O)C(F)(F)F)cc(OC)c1OC 38142321 SVHFJHWSPSHPPU-CQSZACIVSA-N 387.398 4.323 0 1 GIAF O[C@@H]1Cc2cccc(OCCCF)c2C[C@H]1N1CCC(c2ccccc2)CC1 40873940 AQNQNDPQJNNSPW-DHIUTWEWSA-N 383.507 4.133 0 1 GIAF CCOC(=O)c1nc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)no1 73167558 BUBYRECIKGAERW-QGZVFWFLSA-N 396.834 4.255 0 1 GIAF COCCCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2cccc(C)c2)n1 82145073 HHULNIYYLSXQGE-XLIONFOSSA-N 396.535 4.209 0 1 GIAF CN1C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)[C@@]1(C)c1ccc(O)cc1 95575041 YPONBLYNQFHCLA-QGZVFWFLSA-N 381.284 4.178 0 1 GIAF investigational COC(=O)C[C@H]1[C@@H](Cc2ccccc2)C[C@H]2[C@H](Cc3ccccc3)C[C@@H]1N2C 103253942 XXQUTIIQIQULCG-HTUFRPJOSA-N 377.528 4.360 0 1 GIAF COc1cc2c(cc1OC)-c1c(c(C=O)cc3ccc(O)c(OC)c13)/C2=C/O 103571860 VLGKSDYBNOITCN-XNTDXEJSSA-N 378.380 4.311 0 1 GIAF biogenic,in-vitro O=C(CSc1n[nH]c2c3ccccc3nc-2n1)Nc1ccc2ccccc2c1 103917766 FEBGZRVUYMALQA-UHFFFAOYSA-N 385.452 4.342 0 1 GIAF CC[C@@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1F 105179422 PKJZZLFLXHEXGD-HRCADAONSA-N 384.499 4.293 0 1 GIAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](O[C@@H](C)O2)[C@@H]1C/C=C\CCCC(=O)O 169347870 QJOXFJLTXPQRSO-QNIFPNSXSA-N 380.525 4.451 0 1 GIAF Brc1ccc(NCc2ccc3cc2OCC#CC=CC#CCO3)cc1 253664303 APENECNMEPGVAN-UHFFFAOYSA-N 394.268 4.395 0 1 GIAF O=C1O[C@@](C(=O)O)(c2ccccc2)CC(O)=C1Sc1ccccc1Cl 299827366 GHIOCSLPMYRTKB-GOSISDBHSA-N 376.817 4.129 0 1 GIAF O=C(O)c1ccccc1/C=C\c1nc2c(Cl)c(Br)cnc2[nH]1 586882492 VZYMGSMIFQLGQL-WAYWQWQTSA-N 378.613 4.242 0 1 GIAF Cc1nc(-c2ccccc2)sc1Cc1nc2cnc(C(F)(F)F)[nH]c-2n1 587011634 LSKFMPYPNQNBTB-UHFFFAOYSA-N 375.379 4.346 0 1 GIAF Nc1ncc(Cl)nc1-c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587087296 NVHILCAXQAONMU-UHFFFAOYSA-N 392.566 4.037 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c([C@@](F)(Cl)C(F)(F)F)nc2c1 587090459 QUQWSNOXBMGZJY-JTQLQIEISA-N 389.530 4.035 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCN[C@@H]3CCCC[C@@H]32)[C@H]1c1ccc(F)cc1 587351799 VHWCRMACPJDHTJ-QRICJDHISA-N 381.447 4.181 0 1 GIAF CCOc1cc(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O 587377140 LHRNZRJTRQTTPX-OAHLLOKOSA-N 392.249 4.151 0 1 GIAF CCOC(=O)CCCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587401989 UWEMRRZINWBHAK-QHCPKHFHSA-N 397.471 4.180 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1CCCC[C@@H]1C(=O)O)O2 587403330 GPNIPIWGGWVRSG-CEXJFXJFSA-N 379.456 4.329 0 1 GIAF CCCCc1ccc([C@@]2(C(=O)OCC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587439794 DHZGVEDBTHBBNY-NTKDMRAZSA-N 394.467 4.244 0 1 GIAF CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443699 XFDFAWGWGFFWAO-LHZHZUFTSA-N 386.488 4.207 0 1 GIAF COc1cc2c3c(c1)O[C@](C(=O)c1ccsc1)(c1ccsc1)[C@@H](C2)C3=O 587453426 QMXATIUZKSMWNI-MGPUTAFESA-N 382.462 4.344 0 1 GIAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc3c(c1)OCO3)CC2=O 587471107 ZGOODGPGUUYPJO-YSESTWPTSA-N 395.455 4.009 0 1 GIAF CCN1CCN(c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587512797 FIWFJWWGTMCVJA-XMMPIXPASA-N 390.527 4.414 0 1 GIAF CCOC(=O)CC[C@]1(c2ccccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587514802 KBCJRCKHKBIJPU-HSZRJFAPSA-N 379.456 4.164 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccc2nccn12 587551965 LUFYPFWHXVSVDF-UTKZUKDTSA-N 392.798 4.396 0 1 GIAF CCn1ncc([C@]2(C(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587583151 TWURWLIDTQCCBI-REWPJTCUSA-N 392.455 4.430 0 1 GIAF O=C(O)CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609870 DYKKQFVWTJJLCL-GHTZIAJQSA-N 396.420 4.176 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3F)c(-c3ncc[nH]3)c2c1 587650562 ZGUCNISVWQARRU-UHFFFAOYSA-N 389.839 4.421 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(C(=O)O)c2)N1 587728010 CMMXYNIJICZPDO-PWJLMRLQSA-N 382.204 4.049 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3cn(C)nc3c2)N1 587759743 MOXUBZQWEXDQJO-JEOXALJRSA-N 388.284 4.273 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ccc(O)cc23)N1 587806838 WDFZKSIDJOLHMG-NIVTXAMTSA-N 375.241 4.399 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3oc(=O)ccc3c2)N1 587837575 ISCZEIGRBJQNLE-GIGQVBGESA-N 388.236 4.318 0 1 GIAF CCN(c1ccc(-c2csc(-c3ccc(Cl)nc3)n2)cc1)S(C)(=O)=O 587922314 BGMQBDMZTHWZPT-UHFFFAOYSA-N 393.921 4.311 0 1 GIAF CCc1cccc(F)c1[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962700967 QMIJIFFPXHXANC-RDJZCZTQSA-N 385.332 4.234 0 1 GIAF CO[C@H](NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1)C(C)(C)C 1772615232 GMNPDAZWOWGZNF-FQEVSTJZSA-N 399.466 4.122 0 1 GIAF COc1ccc(COC(=O)N(c2ccccc2)[C@@H]2CN3CCC2CC3)cc1F 1857572392 DJIVSTFQGOLPFP-HXUWFJFHSA-N 384.451 4.072 0 1 GIAF CO[C@@H]1OC(=O)C(Cc2ccc(O)c(CC=C(C)C)c2)=C1c1ccc(O)cc1 1857762716 BIVNWUMPSCVWLT-HSZRJFAPSA-N 380.440 4.132 0 1 GIAF CCC[C@@H](OC(=O)c1ccc(O)cc1)[C@@H](CC)COC(=O)c1ccc(O)cc1 2356807708 YAUDIDRFMBKVPS-MGPUTAFESA-N 386.444 4.307 0 1 GIAF C[C@]12C[C@H]([C@@H](O)C(F)(F)F)C(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 253650671 HTYHKJJOVXZDHV-WOMLPUEGSA-N 388.470 4.108 0 3 GIAF C[C@@H](C(=O)N1CCCC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O 5022116 FRXXJSPXTMSWBI-FOIQADDNSA-N 398.503 4.092 0 1 GIAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@H]1N(C)CCN(C)C 28243566 GQMCGDJMEUHAGU-MSOLQXFVSA-N 386.367 4.151 0 1 GIAF CN(CCCCOCC(=O)O)c1ncc(-c2ccccc2)c(-c2ccccc2)n1 28825573 ZQAGCDSFTAEWIL-UHFFFAOYSA-N 391.471 4.128 0 1 GIAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@@H](c1ccccc1)O2 29391053 HLDJALPXIJNWRA-HXUWFJFHSA-N 388.427 4.487 0 1 GIAF Cc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCCCC4)c3)cc12 45337788 VDXJOKVRFSZJGB-UHFFFAOYSA-N 376.456 4.042 0 1 GIAF C[C@@H]1CN(C2CCCCC2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 72136797 BFFFQIGXKMQHOI-CXAGYDPISA-N 393.325 4.205 0 1 GIAF Cc1ccccc1[C@H](OC1CN(C(=O)N2CCCCC2)C1)c1ccc(Cl)nc1 73274952 HLTIFSIYWBFHOX-OAQYLSRUSA-N 399.922 4.440 0 1 GIAF Nc1nc2ccccc2nc1NCCCOc1ccc(CN2CCCCC2)cc1 82151355 HOYJXUATANBPSE-UHFFFAOYSA-N 391.519 4.079 0 1 GIAF COCCn1c(-c2ccc(C)o2)nc2c(NCCCc3ccccc3)ncnc21 82179941 NLCSUOIILQDBTC-UHFFFAOYSA-N 391.475 4.086 0 1 GIAF CC(C)(C)CN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 95565573 MKGPGUJIIFWSDH-ZDUSSCGKSA-N 390.833 4.012 0 1 GIAF Cc1cnccc1-c1nccnc1OC1CCN(c2ccc3ccccc3n2)CC1 96168785 MLVRFJHXWDSVAQ-UHFFFAOYSA-N 397.482 4.443 0 1 GIAF CN(C(=O)n1nnnc1Cc1ccc(-c2ccccc2)cc1)C1CCCCC1 96258194 ZJBKQHZALRMFSQ-UHFFFAOYSA-N 375.476 4.164 0 1 GIAF COc1cccc2c(=O)c(C(=O)O)cn(Cc3ccc(-c4ccccc4)cc3)c12 96906838 YBMXEHXXNBZPKT-UHFFFAOYSA-N 385.419 4.424 0 1 GIAF CN(C)CCC[C@@H](O)[C@@]12CCC[C@H]3C[C@@](OCc4ccccc4)(CC[C@]31C)O2 100806309 XMSDBHLEKDPJQE-LSDVVMKASA-N 387.564 4.362 0 1 GIAF Cc1cc2nc(-c3ccsc3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C 103249575 NWQMGGJACYQJSH-UHFFFAOYSA-N 386.484 4.478 0 1 GIAF CCOc1nc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)ncc1F 145428863 DDANOGFWWHHVPP-UHFFFAOYSA-N 382.399 4.033 0 1 GIAF COc1ccccc1NC(=O)c1c(N)cccc1Sc1ccc(C(=O)O)cc1 205719885 HHNXXHUHODEFII-UHFFFAOYSA-N 394.452 4.379 0 1 GIAF NCC[C@H]1CNC(=O)c2cc(-c3cc(Cl)ccc3F)c(-c3ccccc3)n21 207271697 GNGHBXZAZFETNZ-HNNXBMFYSA-N 383.854 4.248 0 1 GIAF CC(C)C[C@H](N)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 223668074 OIUYLSBRYNCHSV-HNNXBMFYSA-N 382.533 4.384 0 1 GIAF CCN1CCc2c(C)c3c(n2-c2cc(Cl)c(C(N)=O)cc21)CC(C)(C)CC3=O 299857847 DDHGFRIEDWXTHM-UHFFFAOYSA-N 399.922 4.076 0 1 GIAF CN1CCN(Cc2ccc(CNC3(c4ccccc4F)CCCC3)cc2)CC1 473099563 GQAUUPPMQUYCQL-UHFFFAOYSA-N 381.539 4.132 0 1 GIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(F)c(Br)c2[nH]1 586882607 ZVEIPPRNIAZQTG-UHFFFAOYSA-N 389.224 4.393 0 1 GIAF CN1CCN(c2ccc3nc(-c4coc(-c5ccccc5Cl)n4)[nH]c3c2)CC1 587061647 WXKVAMNKLXBOEP-UHFFFAOYSA-N 393.878 4.290 0 1 GIAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587087896 PGXZKSZHFRKBMM-UHFFFAOYSA-N 398.875 4.134 0 1 GIAF Cc1cc(Cl)cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 587113364 QMEBAKHZQXZNJX-UHFFFAOYSA-N 392.772 4.245 0 1 GIAF FC(F)(F)Oc1ccc2c(-c3nc4ncc(C(F)(F)F)cc4[nH]3)n[nH]c2c1 587126665 FDTDNXBVEIKIDO-UHFFFAOYSA-N 387.243 4.419 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587235272 KFCZJRKYLGGWQM-ZIAGYGMSSA-N 387.480 4.275 0 1 GIAF CC(C)(C)[C@H](N)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587258466 CXFSSYIJRNCHIQ-MRXNPFEDSA-N 392.912 4.063 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)cccc1I)O2 587387776 WVOANQUYJPMFHW-OAHLLOKOSA-N 393.224 4.197 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccc(Cl)cc1)CC2=O 587462009 MJQVIDLUKSCGSE-OAQYLSRUSA-N 388.847 4.422 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC(C)=O)c(OC)c1)CC2=O 587477011 HCSMDUMMYXSZOM-JOCHJYFZSA-N 384.428 4.159 0 1 GIAF CCCC[C@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597517 QTGCWOBSFRFSFX-DENIHFKCSA-N 384.428 4.236 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccn(C)c2)(C(F)(F)F)N1 587709109 ICABUXSYMWOGPS-VFZGTOFNSA-N 391.206 4.267 0 1 GIAF Cc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)n1 587771867 UIQRZJJRBGXHFH-BBATYDOGSA-N 379.273 4.103 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)O)cc2)N1 587820337 BETOXHAEAZIETR-MLCYQJTMSA-N 378.241 4.084 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Br)co1 587869923 UUXMJYOUDCMMQJ-UHFFFAOYSA-N 379.185 4.132 0 1 GIAF CC[C@]1(Cc2nc3ccnc(Br)c3[nH]2)CC(=O)c2ccccc2C1 587962226 VYBAEBCADCVLHV-LJQANCHMSA-N 384.277 4.488 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(C[C@H](C)NC(=O)OC(C)(C)C)N(C)[C@H](C)C2 962632523 RSARVKIQNGJXPH-KIMHZCHSSA-N 392.540 4.099 0 1 GIAF Cc1c[nH]c(C)c1[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963200092 XTMAGRLPIDPRJW-SJCJKPOMSA-N 386.801 4.166 0 1 GIAF Cc1c(O)ccc2c1[C@@](C)(CC(C)(C)c1c[nH]c3ccccc13)N[C@H](C(=O)O)C2 963527561 PQZUOCPQSFZIHW-YADARESESA-N 392.499 4.364 0 1 GIAF COC(=O)c1ccc2cc(-c3csc(N4CCC(C)(N)CC4)n3)ccc2c1 1772590349 HEUZPOMWDKVTPH-UHFFFAOYSA-N 381.501 4.068 0 1 GIAF O=C(Nc1ccc(-n2cccn2)cc1)C1CCN(CC=Cc2ccccc2)CC1 1857621543 AGLBIELSRXFKDH-UHFFFAOYSA-N 386.499 4.236 0 1 GIAF Cc1c(O)c(Cc2ccccc2O)c2c(c1O)C(=O)C[C@@H](c1ccccc1)O2 2356497612 STMIMZKOJRZITC-IBGZPJMESA-N 376.408 4.409 0 1 GIAF O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 205220137 VWBQQIFPBSGJLB-MEBBXXQBSA-N 397.208 4.147 0 3 GIAF O=c1oc(Nc2ccccc2I)nc2cc(Cl)ccc12 538594 SRYVYWWOTUUJAA-UHFFFAOYSA-N 398.587 4.190 0 1 GIAF CC(C)(CO)CNC(=O)c1c(C(C)(C)C)noc1-c1c(F)cccc1Cl 777229 FNSBEGQXTWJYCK-UHFFFAOYSA-N 382.863 4.180 0 1 GIAF COc1ccccc1CNC(=O)c1cccnc1SCc1ccccc1F 6947848 HARZJPUZLLUAKZ-UHFFFAOYSA-N 382.460 4.452 0 1 GIAF CCOC(=O)c1sc2c(=O)n(CC)nc(-c3cccc(Cl)c3)c2c1C 13761895 MTOQXXIJKVITRR-UHFFFAOYSA-N 376.865 4.283 0 1 GIAF CC(C)(C)c1cc(I)c2c(c1)CN[C@@]1(O2)C2C[C@@H]3C1[C@@H]3C2 27656446 PWTLQRKEHUPYSI-IQZZOXFLSA-N 395.284 4.053 0 1 GIAF CC1(C)CC(=O)c2c(n(-c3ccc(C(N)=O)c(NC4CC4)c3)c3ccccc23)C1 29048090 XSBFOADUCXUWCS-UHFFFAOYSA-N 387.483 4.459 0 1 GIAF CC(C)=Cc1c(C)cccc1C(=O)N[C@]1(C(=O)O)Cc2ccc(F)c(F)c2C1 43202050 BMBSLTRHUKLFAS-JOCHJYFZSA-N 385.410 4.048 0 1 GIAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(OC)cc1 72139566 ZRFBSEQPZCOTTA-XPWALMASSA-N 398.551 4.093 0 1 GIAF C[C@H]1c2ccccc2CCN1C(=O)c1csc(Nc2ccc3c(c2)OCO3)n1 96283024 AOMYTFOGWHSXRM-ZDUSSCGKSA-N 393.468 4.375 0 1 GIAF O=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1cc(Cl)ccc12 100018519 QFUYUHUMUJGJHJ-UHFFFAOYSA-N 375.762 4.279 0 1 GIAF O=S(=O)(NC1[C@@H]2CC[C@@H]1Cc1ccccc1C2)c1ccc(C(F)(F)F)cc1 101027703 HOFKPENNKVTRGZ-HZPDHXFCSA-N 395.446 4.177 0 1 GIAF CC(C)OCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 145115435 SKISNUFQWHZYLD-UHFFFAOYSA-N 392.459 4.167 0 1 GIAF O=C(OCCCF)[C@H]1[C@@H](c2cccc(/C=C\Br)c2)C[C@@H]2CC[C@H]1N2 149549910 VKZWZSZGPDLBNV-KFLJOVEKSA-N 396.300 4.179 0 1 GIAF C[C@H](Cc1ccco1)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166397997 FEDGHUVSCGPXKI-MRXNPFEDSA-N 389.455 4.188 0 1 GIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Br)c(Cl)c1 169359297 GBSHIUSLZXGHTO-HRRHRQTFSA-N 396.712 4.142 0 1 GIAF Cc1cccc(C(=O)N[C@@]23CCC[C@](NC(=O)c4cccc(Cl)c4)(CC2)C3)n1 169710847 IJPARVQEYUOEFX-VXKWHMMOSA-N 397.906 4.049 0 1 GIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@H](C(=O)OCC)[C@H]1c1cccs1 169715373 NVMVEZOLTCXCNY-ZWKOTPCHSA-N 397.496 4.460 0 1 GIAF Cc1noc(C)c1-c1ccc2c(c1)[C@](C1CCCCC1)(N1CCOCC1)C(=O)N2 219347218 NKDBTARATRHBLU-QHCPKHFHSA-N 395.503 4.018 0 1 GIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC 299881650 OJDDWOUTTXHPHK-ZWQIFLOQSA-N 380.554 4.285 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@@]34CCOc3ccc(OC)cc34)nc2c1 586917264 RVVOJPFRHSSLGT-SPLOXXLWSA-N 398.846 4.219 0 1 GIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cnc2[nH]1 587113652 RPIYYIBWSBZXDS-INIZCTEOSA-N 382.773 4.030 0 1 GIAF CC(C)(C)Oc1cc(-c2nc3cc(Br)cnc3[nH]2)c(N)cc1F 587136281 MKKWKURXURPDMN-UHFFFAOYSA-N 379.233 4.286 0 1 GIAF COc1cc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2cc1OC 587200873 AYSGVKMJWWXDGQ-UHFFFAOYSA-N 377.485 4.161 0 1 GIAF C[C@H](N)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340280 VPUGGTKMFSQTJN-NNIZRDCOSA-N 377.415 4.133 0 1 GIAF COC(=O)[C@]1(c2c(Cl)ccc(F)c2Cl)CC(=O)c2cc(C)cc(N)c2O1 587382701 TZRLYWAXSOUSFZ-GOSISDBHSA-N 398.217 4.057 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccccc4)c1Cl)[C@@H](C2)C3=O 587418373 ANAUVQSUXBVYIB-YWZLYKJASA-N 380.831 4.331 0 1 GIAF COc1ccc(Oc2ncc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1 587451264 JOQPBKGXXOWJGL-FOIQADDNSA-N 395.436 4.441 0 1 GIAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2C[C@H](C1)N2C(=O)OC(C)(C)C 587490550 YCASGTHQUXLYRI-BVNGCHBVSA-N 387.476 4.221 0 1 GIAF CCn1ncc(Br)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495278 CCTBTCOFKNHPBK-IBGZPJMESA-N 389.293 4.425 0 1 GIAF O=C1C[C@H](c2cccc(OC(F)(F)C(=O)O)c2)Oc2c1ccc1c2CCCC1 587509826 WYXDPRHKHWOESE-GOSISDBHSA-N 388.366 4.328 0 1 GIAF CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](F)C1 587510886 YVDZIWGLPASRAL-PGRDOPGGSA-N 389.467 4.248 0 1 GIAF C[C@@H]1CN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)C[C@@H](C)O1 587515127 QKMHXHGNEGCZFC-MCFFVMPBSA-N 392.499 4.281 0 1 GIAF C[C@@]1([C@H]2CN(Cc3ccccc3)CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587515591 VMWHUBCNGJGMGZ-NOZRDPDXSA-N 391.511 4.190 0 1 GIAF CN(C)C1=C[C@]2(CC(C)(C)C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587572168 OEYGDONMDQVZTF-AUSIDOKSSA-N 379.456 4.358 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2nnco2)cc1 587589259 WVHLDLWIRGOZQY-GHTZIAJQSA-N 386.363 4.145 0 1 GIAF O=C(CSCc1ccccc1Cl)n1ncc2ccc(Cl)cc2c1=O 587654526 KZFPYUHCNNLOQK-UHFFFAOYSA-N 379.268 4.277 0 1 GIAF COc1c(F)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587721154 OYUHZCLEOZFDMR-VPTHRUTESA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)cc2F)N1 587724663 KXSNJOHOYORLFE-ZKANADHPSA-N 382.204 4.049 0 1 GIAF CCOC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C 587795560 YJVRVTMFAIHSGP-XLFHBGCDSA-N 395.272 4.025 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)ccc1N 587862362 LLKXPXBQAYGMRV-UHFFFAOYSA-N 375.350 4.157 0 1 GIAF CCN(C[C@@H]1c2ccsc2CCN1Cc1cccn1C)C(=O)OC(C)(C)C 962376247 VBPVYGSWBHVBLM-GOSISDBHSA-N 389.565 4.443 0 1 GIAF COc1ccc2c([C@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)c(O)[nH]c2c1 962714420 OOOCEBFEOVPYLG-LRTDBIEQSA-N 398.503 4.474 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C=C1C)c1ccsc1CCN2Cc1cccnc1 963000311 VGLVHHBAGLABLN-GCJKJVERSA-N 382.529 4.316 0 1 GIAF Nc1ncccc1[C@@]1(c2cc(F)cc(F)c2)c2ccc(F)cc2C[C@H]2CCCN21 963117191 XUYZKAGUOOQGOI-AUSIDOKSSA-N 395.428 4.394 0 1 GIAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1ccc(C(F)F)cc1 963195738 WFPITAUTHMBPDK-FQEVSTJZSA-N 389.442 4.382 0 1 GIAF CCOc1ccc(Cl)cc1[C@@]1(C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963219761 IFSSRRLJUDFZOX-DENIHFKCSA-N 396.874 4.149 0 1 GIAF CCNC(=O)c1cc2c(cc1OC)[C@@]1(C)Cc3nc(C)oc3C(C)(C)[C@@H]1CC2 1772576830 VPBLTAPROQQGLJ-WMZHIEFXSA-N 382.504 4.095 0 1 GIAF O=C(Nc1nc2ccccc2[nH]1)c1sc2cc(C3=NCCN3)ccc2c1Cl 1857537398 GXCGHHMZAKNOEA-UHFFFAOYSA-N 395.875 4.033 0 1 GIAF COc1ccc(O)c(CC=C(C)CCC=C(C)CC[C@@H](O)C(C)(C)O)c1O 2356413116 NSCCERMMAMCXJP-HXUWFJFHSA-N 378.509 4.234 0 1 GIAF Cc1ccc2c(c1)nnn2C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 4400360 FEBFXNYYLZNGLQ-UHFFFAOYSA-N 393.535 4.055 0 3 GIAF COc1ccc(-c2ccc3c(c2)N(Cc2ccccc2Cl)C(=O)COC3)cn1 205218092 FSIDISANSKDEFZ-UHFFFAOYSA-N 394.858 4.474 0 3 GIAF COc1ccc(CCN[C@H]2CCCc3c2ccc(=O)n3CC=C(C)C)cc1OC 13743314 YUEBXFZUTRWBIK-FQEVSTJZSA-N 396.531 4.041 0 1 GIAF Cc1ccc(CN2C(=O)COc3ccc(/C=C4\SC(=S)N=C4O)cc32)cc1 28883163 HOIXYULKWJTYHJ-MFOYZWKCSA-N 396.493 4.250 0 1 GIAF CCCCC1([C@@H](O)/C=C/[C@@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 39409372 SJYHFXKOZHUXKM-IYLAQSGLSA-N 394.552 4.255 0 1 GIAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(OC)ccc2c1 42890702 WPWNLDVODYFMAS-UHFFFAOYSA-N 382.412 4.114 0 1 GIAF O=C1c2ccc(-c3cccc(C(F)(F)F)c3)cc2CCN1CCN1CCCC1 43203677 YGDXRYIZHALWOY-UHFFFAOYSA-N 388.433 4.467 0 1 GIAF O=C(N[C@@H]1CCN(c2ccnc3ccccc23)C1)c1cccc(C(F)(F)F)c1 45227449 NEZTYZLKZFROFG-MRXNPFEDSA-N 385.389 4.262 0 1 GIAF O=C1N(Cc2cc3ccccc3s2)C[C@H]2CN(Cc3ccccc3)CCN12 45303070 QJVVTSYNUZFGTP-LJQANCHMSA-N 377.513 4.023 0 1 GIAF Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)[C@H](C)C3)cc2)c1[C@@H](C)O 52962008 VIFJNFUXJIBEDW-SJLPKXTDSA-N 390.531 4.480 0 1 GIAF CC(C)(O)c1c(C(=O)NC2CCCC2)noc1-c1ccc(C(F)(F)F)cc1 68245837 RRLVXQYATPTTKX-UHFFFAOYSA-N 382.382 4.260 0 1 GIAF Cn1cc(-c2cc3cnc(N=c4cc[nH]cc4)cc3n2Cc2ccccc2)cn1 82082599 MGIVFMYQVQFTFF-UHFFFAOYSA-N 380.455 4.046 0 1 GIAF CC[C@@H](C)NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1 82141166 ARYXLHWHBIEZDR-OAHLLOKOSA-N 378.451 4.423 0 1 GIAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(C(F)(F)F)cc1 117586565 FYLDYVHWEVHSKM-UHFFFAOYSA-N 393.409 4.217 0 1 GIAF O=C(NCc1cccc(OC(F)(F)F)c1)Nc1nc(-c2ccncc2)cs1 165958053 FOXGQFJLFICZHS-UHFFFAOYSA-N 394.378 4.425 0 1 GIAF CCOC(=O)C1=C(c2cccc(F)c2)N=C(C)[C@@H](C(=O)SCC)[C@@H]1CC 169721231 AVLRLVTVFLQJOA-JKSUJKDBSA-N 377.481 4.497 0 1 GIAF NCc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 208058656 MTAFCKBNFZHBAS-UHFFFAOYSA-N 383.499 4.370 0 1 GIAF O=C(O)C[C@@H](NC(=O)c1cccc(-c2ccccc2)n1)c1ccccc1Cl 223468553 NSBKROIENLTRLM-LJQANCHMSA-N 380.831 4.348 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 586936018 LGNFAEACZGYKCC-SECBINFHSA-N 399.303 4.009 0 1 GIAF CCS(=O)(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131463 JHRDQGWOSWIDMR-UHFFFAOYSA-N 376.428 4.238 0 1 GIAF O=C(O)c1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183704 HCJLFURNUGBPKN-FPLPWBNLSA-N 390.180 4.036 0 1 GIAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(Cl)c(F)cc2[nH]1 587259485 ISJBGOSRXWGZAF-HNNXBMFYSA-N 390.846 4.062 0 1 GIAF COC(=O)c1ccc(-c2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 587394472 VXSYJKDWPZGHNC-NRFANRHFSA-N 388.423 4.132 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1nc3ccccc3[nH]1)(C1CC1)O2 587410438 SYQNAORGOFKXPJ-OAQYLSRUSA-N 379.485 4.360 0 1 GIAF CCOP(=O)(OCC)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587410810 ZPZPZYPHRMBEMS-IBGZPJMESA-N 389.388 4.175 0 1 GIAF COCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587521603 IOCJAMGQYKPOEY-OAQYLSRUSA-N 382.456 4.306 0 1 GIAF CCOC(=O)[C@@H]1CCCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596009 MUJWIVBIIPWERZ-NVVBAYIOSA-N 396.439 4.236 0 1 GIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587601227 ROKRXAGHJYYHAQ-NFBKMPQASA-N 392.407 4.286 0 1 GIAF COC(=O)c1cc(-c2[nH]c3c(C(=O)O)cccc3c2C)cn1C(=O)OC(C)(C)C 587637947 JHAHSQUCOKHWIQ-UHFFFAOYSA-N 398.415 4.213 0 1 GIAF CCc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587867268 AOVHLTZLZGQADO-UHFFFAOYSA-N 375.350 4.223 0 1 GIAF Cc1ccc([C@@]2(c3ccccc3Cl)NCCc3c2c(C(C)C)nn3C)cn1 962918482 IZDFTDHNQZPBRY-QFIPXVFZSA-N 380.923 4.338 0 1 GIAF CC(C)C[C@H](N)[C@@]1(C(F)(F)F)c2ccsc2CCN1Cc1cccnc1 962991902 FTYHMNIBELHCIG-ZWKOTPCHSA-N 383.483 4.332 0 1 GIAF CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)c(F)c4)n3)c2c1 1857643359 GIMGRIKBHQXFGE-UHFFFAOYSA-N 391.406 4.140 0 1 GIAF O=C1CC[C@@H]([C@H](O)C=CCCCCCC=C(Br)Br)O1 2356716956 CHSPIILKMVACOK-NEPJUHHUSA-N 396.119 4.191 0 1 GIAF COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 4050049 OHTIECZQUVGPNK-JTHBVZDNSA-N 388.467 4.084 0 1 GIAF Cc1c(CNc2cccc(C(=O)NCc3ccccc3)c2)n[nH]c1-c1ccncc1 13999330 WGESQHUBLPGDDK-UHFFFAOYSA-N 397.482 4.322 0 1 GIAF CO[C@@H](Cc1scnc1C(=O)Nc1nccs1)c1cccc(Cl)c1 28462038 KSNHLOPSWRIVGL-LBPRGKRZSA-N 379.894 4.436 0 1 GIAF Cc1cc2[nH]c(C(=O)NCC3CC3)c(CCc3ccccc3)c2cc1C(=O)O 29127603 HVSUBSFHJZPAPZ-UHFFFAOYSA-N 376.456 4.100 0 1 GIAF NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccccc1Cl 40913931 RGXPTTVHZKAPKA-UHFFFAOYSA-N 383.860 4.418 0 1 GIAF COC(=O)c1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2Cl)cc1 45324827 HIIZCRRNCSZKGL-PXAZEXFGSA-N 382.287 4.034 0 1 GIAF Cc1cc(OCc2cccc(C(F)(F)F)c2)ccc1CN1CC(C(=O)O)C1 63540341 LKCNOGUUCKOMBY-UHFFFAOYSA-N 379.378 4.109 0 1 GIAF CC[C@@H](C)[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)OCc1ccccc1 71340715 WBPDEBQZTNSSET-IERDGZPVSA-N 376.456 4.123 0 1 GIAF CCCCNc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2ccccc2)n1 82133217 RFJYMIOEAMXQPP-UHFFFAOYSA-N 392.478 4.467 0 1 GIAF CCCCCNc1ncnc2c1nc(-c1ccc(OC)cc1)n2C[C@@H]1CCCO1 82186156 JRQMIEAVRPBQTB-SFHVURJKSA-N 395.507 4.283 0 1 GIAF CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117630963 YSLAMPSLWOPXBU-UGKGYDQZSA-N 389.499 4.125 0 1 GIAF Cc1nc2cccnc2n2c(-c3cc(CCC(C)(C)O)ccc3Cl)nnc12 145736871 MQVHPELLDGMBQM-UHFFFAOYSA-N 381.867 4.005 0 1 GIAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586995020 CFDWVFQSGSCPTB-UHFFFAOYSA-N 393.212 4.477 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005632 NPOWWVWWWGJIIB-UHFFFAOYSA-N 394.656 4.146 0 1 GIAF Clc1ccc2ccc(-c3nc4cc(-n5cnnn5)ccc4[nH]3)nc2c1Cl 587083512 XSBTYEWIJOFNBV-UHFFFAOYSA-N 382.214 4.061 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(Cl)ncnc4[nH]3)cc2F)c1 587143358 DHHPICPKTYILKS-UHFFFAOYSA-N 398.781 4.186 0 1 GIAF COc1ccc(NC(C)(C)c2nc3cc(Br)c(C)nc3[nH]2)cc1 587200900 BMGSHUUGSGQNHA-UHFFFAOYSA-N 375.270 4.385 0 1 GIAF CNc1cccc(-c2cccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2)c1 587232804 CLBJTECYZIBZRF-UHFFFAOYSA-N 379.441 4.185 0 1 GIAF CCCOc1cc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2cc1Br 587249039 FXEMJGIDOGQGLR-UHFFFAOYSA-N 390.237 4.062 0 1 GIAF CC[C@@]1(c2cn(C)nc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342461 NPVINAFMRMMZFI-UNMCSNQZSA-N 380.419 4.238 0 1 GIAF C[C@@H]1[C@H](CC(=O)O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351118 JFLIWUFATLSPLS-SJXTWZNUSA-N 384.403 4.150 0 1 GIAF CCC[C@]1([C@@H](C)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355259 XBBQCAFASMXKGX-MCVWCKRISA-N 386.419 4.238 0 1 GIAF COc1cc(Cl)ccc1-c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587368388 JDZNRTOJVFCEQW-UHFFFAOYSA-N 379.803 4.432 0 1 GIAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCCOC 587401014 UFEADLUJSJEFFG-HXUWFJFHSA-N 385.460 4.098 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(Br)c1N)CC2=O 587456070 KDGHIRZDSKNSGL-INIZCTEOSA-N 376.250 4.396 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c1ccc(Cl)c2Cl 587463717 XMNWDQGRAPJZQS-IBGZPJMESA-N 392.238 4.464 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cncc1Br)CC2=O 587469638 BKEQPPMSQIGSSL-OAHLLOKOSA-N 380.213 4.348 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)nc(N3CCCC3)c1)CC2=O 587470244 FYHBFXGOSASNRH-JOCHJYFZSA-N 384.451 4.360 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1F)CC2=O 587470728 HOLPSFSXJYRHMP-DYESRHJHSA-N 393.455 4.028 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cccn2)cc1 587581137 KESFOUOJDNZVHY-NFBKMPQASA-N 384.391 4.281 0 1 GIAF Cc1nc2c(C)cccn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585585 DUVOEROYAWLKIC-AVRDEDQJSA-N 386.407 4.360 0 1 GIAF O=C(O)CCC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 587638794 QGKIAGSXXTUAHT-UHFFFAOYSA-N 385.803 4.163 0 1 GIAF COc1ccc(C2(c3nc4nc(Br)c[nH]c-4n3)CC3(CCC3)C2)cc1 587938132 SWKYEHOLFLCINF-UHFFFAOYSA-N 399.292 4.326 0 1 GIAF O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/[C@H](O)Cc2cccc(F)c2)cc1 1772589649 FVIFTCKGAKHIMG-LQAIEGPQSA-N 396.458 4.212 0 1 GIAF Cc1ccc2nc(NC(=O)c3ccc(Cl)cc3)c(C(=O)NC3CCCC3)n2c1 1857611312 LWIGGNJJFMZVQU-UHFFFAOYSA-N 396.878 4.221 0 1 GIAF CC[C@H](CO)Oc1cc(NC(=O)c2cccc(OC)c2)c2ncn(C(C)C)c2c1 61949044 LWMUDICSDMKLIO-MRXNPFEDSA-N 397.475 4.028 0 3 GIAF C[C@@H]1C[C@@H](C)CN(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1 766811 AUVZNTLBDVGMMH-HZPDHXFCSA-N 394.544 4.234 0 1 GIAF O=C1CN(C(=O)c2c(F)cccc2F)[C@H](c2ccccc2)c2cc(F)ccc2N1 2456707 XGZGHRDTOYEJRY-OAQYLSRUSA-N 396.368 4.288 0 1 GIAF Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)sc2ncnn12 13983240 BCSPALWWQLYRIR-CQSZACIVSA-N 377.517 4.341 0 1 GIAF C[C@@H]1CC[C@@](Oc2ccc(CC(=O)Nc3ccc4c(c3)CCC4)cc2)(C(=O)O)C1 27524631 IGBQTBRMCUGPNH-GYCJOSAFSA-N 393.483 4.379 0 1 GIAF O=C(C[C@H]1C=NN2c3cc(Cl)ccc3[N+]([O-])=N[C@H]12)Oc1ccccc1Cl 27635829 UMYWGMKUCZAQJO-BTDLBPIBSA-N 391.214 4.345 0 1 GIAF CCCc1c(OCc2cc(/C=C\C(=O)O)ccc2OC)ccc(C(C)=O)c1O 27977410 QNDYSYMQXQZADU-XFFZJAGNSA-N 384.428 4.233 0 1 GIAF Nc1cccc(/C(=C/c2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)C(=O)O)c1 28123101 USURZSFXCSIVBV-XFFZJAGNSA-N 391.210 4.380 0 1 GIAF Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cnc4ccnn4c3N)cc2)c1 40846327 BVMZMHYBKLZYOH-UHFFFAOYSA-N 376.395 4.070 0 1 GIAF Cc1ccsc1CNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 40846351 GVDFMNXNKGLEMZ-UHFFFAOYSA-N 387.940 4.017 0 1 GIAF CCC[C@H](Nc1cncc(-c2ccc(NC(C)=O)c(OC)c2)n1)c1cccnc1 43080577 MFGDPKZATXMMOC-SFHVURJKSA-N 391.475 4.459 0 1 GIAF CCCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 84634575 ZTXDXPUMWKTHBC-UHFFFAOYSA-N 382.420 4.349 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632320 DCGVXRIATHGRTP-GUYCJALGSA-N 386.904 4.014 0 1 GIAF C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(CSc3nc4cc[nH]cc-4n3)cc2)C1 102348778 GHKMMLSMKXRDLD-HUUCEWRRSA-N 380.517 4.320 0 1 GIAF CC1(C)CCc2sc(NC(=S)NC(=O)c3ccccc3)c(C(=O)O)c2C1 199229911 NZZNWVHVNDSNKZ-UHFFFAOYSA-N 388.514 4.088 0 1 GIAF O=S(=O)(O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587083652 DVLSOJKFOCIGSB-UHFFFAOYSA-N 385.832 4.192 0 1 GIAF COC(=O)c1cccc(-c2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)c1 587394056 PXCSGRLITNUOES-OAQYLSRUSA-N 388.423 4.132 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(N3CCC[C@@H](C)C3)ccc1N)O2 587396511 SZTZPEMWTRONLV-QKFKETGDSA-N 379.504 4.276 0 1 GIAF CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587401290 VRJHCOIYOXOSPM-JPYJTQIMSA-N 381.472 4.336 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc4ncc(Br)cc4o1)[C@@H](C2)C3=O 587416683 BZOOSBQEONGTFB-VOJFVSQTSA-N 386.201 4.088 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(F)c1Br)[C@@H](C2)C3=O 587424693 SHGGXYKATAVIDW-KPZWWZAWSA-N 377.209 4.260 0 1 GIAF CCn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 587576804 KNGGESPNKMYOED-UGKGYDQZSA-N 386.407 4.465 0 1 GIAF COc1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587586771 JPOYMOGFHJPJLN-RXVVDRJESA-N 391.423 4.067 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(N2CCCC2)c1 587596990 SUCATXRUCMGYGE-NFBKMPQASA-N 388.423 4.090 0 1 GIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587601015 PWIPAQNTZVSHAD-SIKLNZKXSA-N 378.380 4.112 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2oc(CO)cc2c1 587619340 WZBANTRGAVQNFF-NFBKMPQASA-N 388.375 4.334 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(cnn3C)c2)N1 587755481 ABNNSFCDJRKTEG-JEOXALJRSA-N 388.284 4.273 0 1 GIAF CC(C)CCN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587769290 ODJPLUOQCDTBTP-CQSZACIVSA-N 383.349 4.460 0 1 GIAF COCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798522 YNMJHNDTWXPWFP-DJJJIMSYSA-N 378.285 4.403 0 1 GIAF CCc1oc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)OC 587830819 UXMLIQFOLMMRQI-HUTHGQBESA-N 396.256 4.154 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CCO[C@H]1C21CCCC1 587839291 QZOYUKMVVAWHMC-MFEACKHVSA-N 380.301 4.297 0 1 GIAF Cc1nn([C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1Br 587873218 WCRPDXXGEYNRPT-SECBINFHSA-N 391.200 3.964 0 1 GIAF CC(=O)SCc1cc(O)n(-c2cc(Cl)cc(Br)c2)c1O 587942050 YVYCEMNUVKXRAJ-UHFFFAOYSA-N 376.659 4.084 0 1 GIAF C=C1C=C(C)n2c([C@H]3c4ccsc4CCN3Cc3cccnc3)cnc2N1 963002365 ZQSQUQMIBNALLB-HXUWFJFHSA-N 375.501 4.287 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2[nH]c3ccccc3c2Cl)N1 963239627 XRDGNJYRPRISGP-PKOBYXMFSA-N 377.831 4.058 0 1 GIAF Cc1ccc(Oc2ccc([C@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)cc2)cc1 963488778 FSIKDCFEHCSIHE-NZQKXSOJSA-N 389.451 4.490 0 1 GIAF Cc1cn(-c2ccc(-c3csc(N=c4[nH][nH]c5c4CCCC5)n3)cc2F)cn1 1857596865 FFLMDUMVJLCEEY-UHFFFAOYSA-N 394.479 4.211 0 1 GIAF CC[C@H]1CN(Cc2ccccc2)c2cc(C3=CCNCC3)ccc2N1C(C)=O 1857646109 GRXHTVINFFTUNX-QFIPXVFZSA-N 375.516 4.215 0 1 GIAF O=S1(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c2[C@H](O)C1(F)F 1857748131 FBBOQBWKDLBPEF-ZDUSSCGKSA-N 398.280 4.108 0 1 GIAF Cc1noc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 1857756140 YRIWMCNVPRNPSA-KRWDZBQOSA-N 379.412 4.488 0 1 GIAF COc1cc2c3c(c1OCC1CC1)-c1cc(NC(C)=O)ccc1C[C@@H]3N(C)CC2 1911571481 FIYKGARMISXQRS-FQEVSTJZSA-N 392.499 4.195 0 1 GIAF CCC=C(C)C=C(C)[C@H](O)[C@H](C)[C@@]12O[C@H]3[C@H](C)[C@@](CC)(O[C@@](O)([C@H]3C)[C@H]1C)O2 2356568899 QAPANHSCLYNNHY-FGYCMSRRSA-N 394.552 4.145 0 1 GIAF O=C1C[C@@H](O)C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 2356695823 XZGQELXAZMAZCD-GOTSBHOMSA-N 388.463 4.062 0 1 GIAF C[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)[C@@H](c1ccccc1)N1CCOCC1 25330258 FPKAXAANJAYIHC-QBKZBJQZSA-N 386.580 4.417 0 3 GIAF O=C(NC1CCCCC1)[C@@H](CCc1ccccc1)N1CCc2ccccc2C1 72135877 FULHRORKABMUTR-XMMPIXPASA-N 376.544 4.495 0 3 GIAF CC1CCC(NC(=O)c2ccc(-n3c(=S)[nH]c4ccccc4c3=O)cc2)CC1 2973941 ISZQVZAEVNMAFD-UHFFFAOYSA-N 393.512 4.357 0 1 GIAF COc1cc(OC)c2c(c1OC)CN(C)c1c-2ccc2cc3c(cc12)OCO3 13458983 KTCLFTHIKDBOCJ-UHFFFAOYSA-N 379.412 4.211 0 1 GIAF biogenic CNCC[C@H](Oc1ccc(I)c(C)c1)c1ccccc1 13730735 OBJQLMFHBBSOPP-KRWDZBQOSA-N 381.257 4.329 0 1 GIAF CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2cnccc2C(=O)O)cc1 13739760 KDGVKDROIYFDRP-UHFFFAOYSA-N 399.878 4.180 0 1 GIAF OC[C@H]1CC[C@@H](n2cnc3c(NC4CCCCCCC4)cc(Cl)nc32)O1 27320306 QRRLQZHQBPJCFO-PBHICJAKSA-N 378.904 4.279 0 1 GIAF Cc1ccc(C)c(NC(=O)NCCNc2ccnc(Nc3ccc(F)cc3)n2)c1 45303225 PSFHDFLFENGDTH-UHFFFAOYSA-N 394.454 4.210 0 1 GIAF CCn1c2ccccc2c2cc(CO)nc(-c3cc(OC)c(OC)c(OC)c3)c21 45505945 XSUPSUQOZNQXTL-UHFFFAOYSA-N 392.455 4.395 0 1 GIAF COCCCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2cccc(C)c2)n1 82145067 HHULNIYYLSXQGE-PXNSSMCTSA-N 396.535 4.209 0 1 GIAF O=C(c1ccc(Oc2nccnc2N2CCCCC2)cc1)c1nc2ccccc2[nH]1 103285377 YZVPBDASJFHUAL-UHFFFAOYSA-N 399.454 4.367 0 1 GIAF Brc1ccccc1-n1cc(CSc2nc3ccccc3o2)nn1 169340322 WVTUWXNHDHSOOZ-UHFFFAOYSA-N 387.262 4.463 0 1 GIAF CC1=N[C@]2(N=C1N)c1cc(-c3ccc(F)c(Cl)c3)ccc1CC21CCOCC1 169708591 YUFMOSSQCPKPCP-QFIPXVFZSA-N 397.881 4.484 0 1 GIAF Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c(-c2nc(C3CC3)no2)c1C 205750494 JEVCBDYTOYYRPV-CHWSQXEVSA-N 389.477 4.122 0 1 GIAF O=C(CCCCN1CCOCC1)Nc1ccc(-c2ccc3[nH]ccc3c2)cc1 299866279 VQAKCAYUDLVXIB-UHFFFAOYSA-N 377.488 4.276 0 1 GIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2nc(Cl)c(Cl)cc2[nH]1 587040015 YWBPUYQSDSKQJH-UHFFFAOYSA-N 387.252 4.130 0 1 GIAF N[C@@H](Cc1ccccc1Cl)c1nc2cccc(I)c2[nH]1 587059044 LZNWWDVWVGFFNW-LBPRGKRZSA-N 397.647 4.063 0 1 GIAF COCCN1C(=O)CC[C@H](c2nc3c(C)nccc3[nH]2)[C@H]1c1ccccc1Cl 587062593 HFJORFSYJCGLNU-MGPUTAFESA-N 398.894 4.013 0 1 GIAF COC(=O)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587158700 KLGJNIGICWRMJF-UHFFFAOYSA-N 386.386 4.495 0 1 GIAF O=C(/C=C\c1nc2cc(Br)c(F)cc2[nH]1)Nc1ccc(F)cc1 587166788 IZXSSBRRJDVDQJ-WAYWQWQTSA-N 378.176 4.256 0 1 GIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Cl)cc(F)c3[nH]2)cc1 587243762 AYVYTOXLNIKLNM-UHFFFAOYSA-N 384.798 4.495 0 1 GIAF CC(C)COc1cc2nc(-c3c(N)cccc3O)[nH]c2cc1Br 587249856 LAQATHUBFJXZCS-UHFFFAOYSA-N 376.254 4.315 0 1 GIAF COC(=O)C1(C)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348601 HEPFAJKYZDSENW-YUVSOPLDSA-N 398.430 4.382 0 1 GIAF CN1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2F)CC1 587509211 XQWPZVYRVRUYFN-HSZRJFAPSA-N 394.490 4.163 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c[nH]1 587549864 YQJUBETTWKWLBI-YJBOKZPZSA-N 386.201 4.186 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2ccnc2)cc1 587576014 HMVPTDYBDUFFLX-QPPBQGQZSA-N 398.418 4.340 0 1 GIAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608040 KBNYLSVQWQCDBM-RDQXKTIUSA-N 394.423 4.004 0 1 GIAF Cn1c(CO)cnc1Sc1c(-c2ccc(F)cc2)[nH]c2c(C(=O)O)cccc12 587638434 PWGTYQYABPFBOJ-UHFFFAOYSA-N 397.431 4.049 0 1 GIAF COc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587701309 XAHXOOFIUGBMSX-GLEZIHRCSA-N 385.664 4.269 0 1 GIAF CC(C)[C@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704700 JLNOWNKIQYZDSQ-VFZGTOFNSA-N 396.222 4.495 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C3CCCC3)C2)N1 587768795 MNFUMFFPMNLPFK-DJJJIMSYSA-N 381.333 4.356 0 1 GIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 587784185 FEGPQYOFHXGIEZ-CHWSQXEVSA-N 389.224 4.408 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CN(C)C)cs2)N1 587848620 OSLANEBBTSRDCD-DYZYQPBXSA-N 383.330 4.335 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C)c(CC)c(O)n1 587865736 HEZPXWGTHHYAAV-UHFFFAOYSA-N 392.381 4.323 0 1 GIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 587937891 QXNOUBZYEITKQW-PWJLMRLQSA-N 397.219 4.449 0 1 GIAF C[C@H](CCc1nc2cc(Br)c(Br)cc2[nH]1)CC(=O)O 587960679 LQKVQKMKEGHTNZ-SSDOTTSWSA-N 390.075 4.131 0 1 GIAF CC(C)COc1cc2nc(CC[C@@H](C)CC(=O)O)[nH]c2cc1Br 587961872 ZVZSCJUZNPOKQY-LLVKDONJSA-N 383.286 4.404 0 1 GIAF COc1ccc2oc(N)c([C@@H]3NCCc4cccc(-c5ccccc5)c43)c(=O)c2c1 962664673 KEACCHXOZMPZBO-HSZRJFAPSA-N 398.462 4.286 0 1 GIAF CCCC[C@@H]1CN=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13662130 OJDAJFVUJSNUHG-CQSZACIVSA-N 381.364 4.456 0 3 GIAF COc1cc(CN2CCC[C@@H](N3CCc4ccccc4C3)C2)c(Cl)cc1O 22909979 TYMNNVAFHNIBIU-LJQANCHMSA-N 386.923 4.077 0 3 GIAF CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@H](O)CC)c1 773612 OSYRPLSXMARARW-QGZVFWFLSA-N 398.434 4.047 0 1 GIAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774707 AIAKZPLMEZOQMN-BLLLJJGKSA-N 388.851 4.392 0 1 GIAF CCCN1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1F 1911574118 KWOJELJASRYOEU-SFHVURJKSA-N 377.257 4.342 0 1 GIAF COC(=O)c1ccc2c(=O)n(-c3ccc(C)cc3)c(Nc3ccccc3)nc2c1 4767756 WBDZRRUYCUHCCB-UHFFFAOYSA-N 385.423 4.224 0 1 GIAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(Cc4ccccc4)cc3)c3c(N)nccn32)C1 100618724 ZSKAHJMMVVSPKI-DQMBHMMVSA-N 384.483 4.198 0 1 GIAF O=Cc1ccccc1-c1cccc(-c2cc(=O)cc(N3CCOCC3)s2)c1 101080381 WKBHTKXTSWSFNN-UHFFFAOYSA-N 377.465 4.091 0 1 GIAF O=S(=O)(Nc1ccc(-c2ncccn2)cc1)c1cc(Cl)cc(Cl)c1 103283624 YDNYPKDLLNMZPJ-UHFFFAOYSA-N 380.256 4.251 0 1 GIAF CCOC(=O)CC1=NC[C@H](c2cccc(OCc3ccc4ccccc4n3)c2)O1 100816960 RXMOAWBBTKMXHK-OAQYLSRUSA-N 390.439 4.237 0 1 GIAF COc1ccc2c(c1OC)[C@]13CCN(C)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3 64491954 STFJONZLAZXMSA-HCYUJWNOSA-N 388.511 4.098 0 1 GIAF CCCn1cc(-c2cccs2)nc1CCc1nc2c(OC)ccc(C)n2n1 117853511 UYDXSGIECLGKJC-UHFFFAOYSA-N 381.505 4.167 0 1 GIAF Cc1cc(O)c([C@@H](c2ccccc2)N2CCCCC2)c(=O)n1Cc1ccco1 20604673 UPVZCAYDQHCRKE-JOCHJYFZSA-N 378.472 4.079 0 1 GIAF aggregator COc1ccc(Oc2c(F)cnn(Cc3cccc4ccccc34)c2=O)cc1 73351280 NUFCMXQDECKZQO-UHFFFAOYSA-N 376.387 4.385 0 1 GIAF O=C(Oc1cccc(C(F)(F)F)c1)N1CCN(c2ncccc2Cl)CC1 49033287 GUEWKXBGUZVNEZ-UHFFFAOYSA-N 385.773 4.075 0 1 GIAF COC(=O)c1cc2c3c(ccc4c3c1-c1cccc(OC)c1C4=O)[C@@H](O)[C@H](C)C2 147969941 KJQQRJJQDAYPST-XFNZEKPQSA-N 388.419 4.072 0 1 GIAF CCN1CCC(c2ccccc2)=C(C(=O)O[C@@H](C)Cc2ccc(OC)cc2)C1 95596255 YQYNDEMZTZWYJH-SFHVURJKSA-N 379.500 4.349 0 1 GIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3cccc(C(F)(F)F)n3)C2)cc1 96172940 LXSSTHUMPYVANS-CYBMUJFWSA-N 378.394 4.451 0 1 GIAF O=c1ccc2cc(OCc3cn(-c4ccc(Cl)c(Cl)c4)nn3)ccc2o1 299826949 FKDXNXQLYFTESL-UHFFFAOYSA-N 388.210 4.260 0 1 GIAF O=c1c2cc(OCc3ccccc3)ccc2nc2n1CCCN2Cc1ccccc1 299825908 CULDUIAORVNMEZ-UHFFFAOYSA-N 397.478 4.386 0 1 GIAF COc1cc(/C=C/C(=O)NCCCCCCN(C)Cc2ccccc2)ccc1O 653715455 IQAAPTJPBHLYBU-FYWRMAATSA-N 396.531 4.223 0 1 GIAF COc1ccccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657117 VSGLRJSRRVXCPQ-UHFFFAOYSA-N 392.361 4.039 0 1 GIAF C(=C/c1nc2ccc(-n3cnnn3)cc2[nH]1)\c1ccc(OCc2ccccc2)cc1 587784347 QPMWLTDBDNHLHE-MDWZMJQESA-N 394.438 4.288 0 1 GIAF O=C(O)/C=C\c1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 586878306 CIBRAUVIFATTGV-WAYWQWQTSA-N 379.160 4.368 0 1 GIAF Cc1ccc(C(=O)O)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587827044 MYZUDVKYJLQNGZ-JEOXALJRSA-N 392.268 4.393 0 1 GIAF CCOC(=O)[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587380123 AWOJTUUEQBOCEB-LJQANCHMSA-N 393.361 4.020 0 1 GIAF FC(F)(F)c1cccnc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587109175 UOBXPKQBIQTCQY-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Br)ccnc2[nH]1 587078766 BAFSZWVLBIWAJJ-LBPRGKRZSA-N 390.672 4.098 0 1 GIAF Cc1ccc(C)c([C@]2(CO)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587352102 JWDUDGIWJZOBKF-VWNXMTODSA-N 392.426 4.395 0 1 GIAF CC(C)COc1cc2[nH]c(-c3cccnc3N(C)C)nc2cc1Br 587195929 OWDLYOMOKLPICK-UHFFFAOYSA-N 389.297 4.488 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(OCc1ccccc1)C2 587602159 WZYGSWTYKQDJHK-SSSUMRQXSA-N 388.419 4.472 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)Nc4ccccc4)cc1)[C@@H](C2)C3=O 587426945 BJWUGQATIOMQRR-WMZHIEFXSA-N 385.419 4.436 0 1 GIAF COc1cc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587770912 KOPZVWOOLDXDCW-MLCYQJTMSA-N 379.273 4.232 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2nnco2)cc1 587589260 WVHLDLWIRGOZQY-NQIIRXRSSA-N 386.363 4.145 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cnc1F)CC2=O 587471624 LNIOFXGPVCCMGO-HNNXBMFYSA-N 380.213 4.348 0 1 GIAF O=C1C[C@@](C(=O)O)(c2ccc3c(c2)CCCC3)Oc2c1ccc1c2CCCC1 587529282 MUTCWVJDKPFPMB-DEOSSOPVSA-N 376.452 4.390 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O)N1 587820351 BFTCQPQQBTXCEJ-JZCUFJCRSA-N 382.317 4.135 0 1 GIAF CCOC(=O)c1nc(C)sc1[C@@]1(C)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962945901 HJIWQTPONKXVAT-ZSEKCTLFSA-N 383.517 4.297 0 1 GIAF Cc1sc2c(c1C)CCN[C@@]21CCN(C(=O)OCc2ccccc2)C[C@H]1C 963011461 GVBVTAYHZXCACK-IVZQSRNASA-N 384.545 4.385 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@@]12CCc1c2cc2c(c1N)CCC2 962401106 VIONIAIFGYYIKY-XMMPIXPASA-N 389.568 4.406 0 1 GIAF O=C1[C@@H](N2CCC[C@@H](c3ccc(O)cc3)C2)CCCN1Cc1ccc(Cl)cc1 1772631189 LUTJNLKVMPYVLM-KNQAVFIVSA-N 398.934 4.416 0 1 GIAF NCCCCCn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc2ccccc21 1772648473 XTRXATZKCTZKBB-UHFFFAOYSA-N 379.548 4.469 0 1 GIAF COC(=O)C1=C(c2cc3ccccc3o2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCCC1 12479637 HDOROGXGUKIVKA-FUHWJXTLSA-N 394.471 4.202 0 3 GIAF O=C(O)c1cc(CCCCCNS(=O)(=O)c2ccccc2)c2cccccc1-2 13826267 FXIUOEQFCWZJHM-UHFFFAOYSA-N 397.496 4.181 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(N(C)C)c3)cc2)C[C@@H]2CC[C@@H]1N2C 169361476 GLJUXNMBHHRFQA-BJESRGMDSA-N 378.516 4.159 0 1 GIAF O=C(OCCCF)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1cccc(/C=C\Br)c1)N2 169369722 VKZWZSZGPDLBNV-RWXIQHKWSA-N 396.300 4.179 0 1 GIAF O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(N2CCc3ncncc3C2)c1 169710104 ZVDLMUAOFFQUPD-UHFFFAOYSA-N 398.388 4.310 0 1 GIAF O=Nc1c([C@@H]2C(=O)Nc3ccc(OC(F)(F)F)cc32)[nH]c2ccc(O)cc12 169723359 IPSXIRLKTRBYCM-CYBMUJFWSA-N 377.278 4.254 0 1 GIAF Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)Nc2ccccc2C)o1 201461913 PIPVTPDQJWOLSL-UHFFFAOYSA-N 383.469 4.264 0 3 GIAF Cc1ccc(F)cc1-c1cccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)n1 203894358 ZRFAGKLSWKFUOZ-NRFANRHFSA-N 392.430 4.450 0 1 GIAF CN(C)CCCNc1nc2ccccc2nc1-c1nc2ccc(Cl)cc2o1 1857567809 DDBQTJRASOYMCQ-UHFFFAOYSA-N 381.867 4.455 0 1 GIAF c1ccc(OCCNCC[C@@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 1857580304 YTSPXKNHGROQEX-XMMPIXPASA-N 389.495 4.362 0 1 GIAF c1ccc(C[N@]2C[C@H]2COc2cccc3c[n+](Cc4ccccc4)ccc23)cc1 1857627008 RVIXBLIWKFDYEZ-RBJSKKJNSA-N 381.499 4.439 0 1 GIAF COc1ccc2c(c1OC)C[C@H](CC1CCN(Cc3ccccc3)CC1)C2=O 13449435 IYXLMUZIMXFFNL-IBGZPJMESA-N 379.500 4.361 0 1 GIAF COc1ccc2c(c1)c(CC(=O)Nc1ccncc1)cn2-c1ccc(F)cc1 13556575 LWHRFOBGBCCNRS-UHFFFAOYSA-N 375.403 4.354 0 1 GIAF Brc1cccc(-c2cc(NCc3ccncc3)n3nccc3n2)c1 14948091 BUXUEPKVOZSCGP-UHFFFAOYSA-N 380.249 4.166 0 1 GIAF O=S(=O)(N[C@H]1Cc2ccc(-c3cc4ccccc4[nH]3)cc2C1)c1ccccc1 28949478 JGPPKFSZHLHEKV-FQEVSTJZSA-N 388.492 4.281 0 1 GIAF CC(=O)CC[C@@H]1[C@@H]2[C@H](O)[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@@]21C 34238693 MZRGOEIFXVZAOF-IJHNJYCKSA-N 384.516 4.270 0 1 GIAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cc(Cl)cc(Cl)c2)C1 36380992 HOWHIYVONVAKKV-UHFFFAOYSA-N 399.347 4.050 0 1 GIAF CC(=O)Nc1cc(F)c(C(=O)O)cc1NC(=O)c1ccc(-c2ccccc2)cc1 43069635 HMZDVIJLKSGJML-UHFFFAOYSA-N 392.386 4.402 0 1 GIAF O=C(OCc1ccccc1)[C@@H]1COC(c2ccccc2OCc2ccccc2)=N1 49778091 WDINQXXNCSNUOQ-NRFANRHFSA-N 387.435 4.154 0 1 GIAF CC(C)(C)Cc1nc2c(NCc3cccc(F)c3)ncnc2n1C[C@@H]1CCCO1 82184742 JYUNQTYDIHMRFX-KRWDZBQOSA-N 397.498 4.345 0 1 GIAF CCOC(=O)Nc1cc(Nc2ncnc3cc(OC)c(OC)cc23)ccc1C 84633132 HUNVSJNFAWGLIM-UHFFFAOYSA-N 382.420 4.267 0 1 GIAF O=C(Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)CC2=O)c1cccs1 95597328 DNSQKVVWWFMFHO-MRXNPFEDSA-N 382.393 4.085 0 1 GIAF c1cnc(O[C@@H]2CCN(c3cc4ccccc4cn3)C2)c(C2CCOCC2)c1 96168979 DEZVLWJYQXGNJD-HXUWFJFHSA-N 375.472 4.182 0 1 GIAF CN[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1 103292753 CLELDSLLVMDFAE-SXPAWZJZSA-N 378.560 4.355 0 1 GIAF COc1ccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCCC3)[C@H]2C)OCO4)cc1 105518642 OFWNMZRXUNSPIH-WADWEFIESA-N 381.472 4.396 0 1 GIAF C[C@@H](C(=O)Oc1ccc(C(N)=S)cc1)c1ccc(C(=O)c2ccccc2)cc1 149207429 XFMSCDWKFKBOJS-OAHLLOKOSA-N 389.476 4.261 0 1 GIAF CN(C)c1ccccc1N1C(=O)CS[C@H]1c1cccc(Br)c1 169342629 DIYZTTKXMBVGBG-KRWDZBQOSA-N 377.307 4.294 0 1 GIAF C/C=C(/C)C(=O)O[C@H]1C/C=C(\C)CC[C@@H](C(C)C)[C@@H](OC(C)=O)[C@H]2O[C@]12C 238751779 PIRBWKHZKPMBQG-KAKNDSOOSA-N 378.509 4.356 0 1 GIAF O=C1COc2cc3[nH]c(-c4cnc5ccc(C(F)(F)F)cc5c4)nc3cc2N1 587113184 SRWZRBNKDUZIQY-UHFFFAOYSA-N 384.317 4.128 0 1 GIAF O=C(CCc1nc2cc(Br)c(F)cc2[nH]1)Nc1cccc(F)c1 587163990 WUHXWJCURBSCEK-UHFFFAOYSA-N 380.192 4.175 0 1 GIAF O=C(/C=C/c1nc2cc(Br)c(F)c(F)c2[nH]1)Nc1ccccc1 587245334 VZJSUDCVVFSXBE-VOTSOKGWSA-N 378.176 4.256 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(NC(=O)OCc3ccccc3)CC1)O2 587390641 PBGROOVVFSSCFP-UHFFFAOYSA-N 394.471 4.150 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(C)ccc41)[C@@H](C2)C3=O 587446271 BMNLXAXKVMLDOK-CPJSRVTESA-N 382.415 4.239 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]ccc1=NC(=O)OC(C)(C)C)CC2=O 587471869 WCCFUMUEMUPCEM-IBGZPJMESA-N 398.459 4.215 0 1 GIAF O=C1C[C@]2(CCN(Cc3ccccc3)C(=O)C2)Oc2c1ccc1c2CCCC1 587512260 BTBAJSDSUBIZRE-DEOSSOPVSA-N 375.468 4.092 0 1 GIAF CC(C)[C@@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577008 IXGSWPQTULYQNV-REWPJTCUSA-N 375.424 4.488 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C[C@@H]1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596857 PNSICPAKQUDWLV-LHZIYERJSA-N 396.439 4.092 0 1 GIAF CCC(=O)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601291 RWEAEYBMECDDFL-NFBKMPQASA-N 390.391 4.411 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H]1CCOC1 587616869 NCNHQCOYHCAEDZ-CODAWKSHSA-N 388.419 4.286 0 1 GIAF O=C(c1ccncc1Cl)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656418 ZSZFVJRASAPGMR-UHFFFAOYSA-N 397.768 4.079 0 1 GIAF COc1ncc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587702423 ZLUUIUYSHFJWJY-HUTHGQBESA-N 399.691 4.443 0 1 GIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 587783997 CNCJCVSZGADJRF-CHWSQXEVSA-N 376.334 4.405 0 1 GIAF Cc1ccc(C(=O)O)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587827047 MYZUDVKYJLQNGZ-WYRIXSBYSA-N 392.268 4.393 0 1 GIAF Cc1nc2c(s1)[C@]1(CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587857755 MYOYIPKVZKEEKG-VVVCHXIZSA-N 381.314 4.467 0 1 GIAF COc1cc2c(cc1OC)[C@@H](C(C)(C)C(=O)OCc1ccccc1)N(C)[C@@H](C)C2 962622081 JBCUYWBXDYNEHQ-AOMKIAJQSA-N 397.515 4.391 0 1 GIAF C[C@@]1(c2cc(F)cc(Cl)c2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962671766 SRGRZMADOOXHQJ-FGZHOGPDSA-N 398.865 4.389 0 1 GIAF C[C@@]1(c2cccc(N3CCCC3)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732162 XNMBXUWHBZMEBM-FPOVZHCZSA-N 388.433 4.196 0 1 GIAF Clc1cncc(Cl)c1N1CCN(c2ccc(-c3cccnc3)cn2)CC1 1857620708 OVQRTPZYONAVAM-UHFFFAOYSA-N 386.286 4.172 0 1 GIAF O=C(O)c1csc(N2N=C(c3ccccc3)[C@@H]3CC[C@H](C(F)(F)F)C[C@@H]32)n1 1857638669 KUPZVJVBTUDADT-SCRDCRAPSA-N 395.406 4.413 0 1 GIAF CC(=O)Nc1ccc(N2C(=O)CS[C@H]2c2cccc(Br)c2)cc1 2947467 JYBKCXWNTYIMHK-KRWDZBQOSA-N 391.290 4.186 0 3 GIAF Cc1c(Br)cccc1NC(=O)[C@]1(C)CCN1CCc1ccccc1 61903939 RYVOMFRXGWWSIH-FQEVSTJZSA-N 387.321 4.403 0 3 GIAF CC(C)Nc1[nH]c(C(=O)c2ccccc2)c(N)c1C(=S)Nc1ccccc1 5962988 IVVVSWSRAQMINC-UHFFFAOYSA-N 378.501 4.436 0 1 GIAF O=c1[nH]c(CCCN2CC=C(c3ccc(Cl)cc3)CC2)nc2ccccc12 13581587 ICKHQBFMNJZNAQ-UHFFFAOYSA-N 379.891 4.298 0 1 GIAF CC(=O)O[C@H]1c2ccc(Br)cc2C(n2ccccc2=O)=CC1(C)C 13832196 MATHGHPODBUOAR-SFHVURJKSA-N 388.261 4.144 0 1 GIAF COc1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2c1C(C)C 14945388 RKYDSXIHJWMQGP-UHFFFAOYSA-N 378.476 4.342 0 1 GIAF COc1cccc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)c1 28571167 ZJZVYCLADXEMHX-UHFFFAOYSA-N 382.416 4.466 0 1 GIAF CN(C)c1cccc(C(=O)NCCCNc2ccnc3cc(Cl)ccc23)c1 40392901 MDPSTUUNQPOOOU-UHFFFAOYSA-N 382.895 4.186 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)NC(C)(C)C)CC2 42890545 ANMMHMXTOIAIFA-HXUWFJFHSA-N 386.467 4.299 0 1 GIAF CSc1ccc(OCc2nc(Br)c(Br)n2C)cc1 66074136 LNZQZAQGCUVRRC-UHFFFAOYSA-N 392.116 4.246 0 1 GIAF C[C@@]1([C@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(Cl)cc2)C1=O 72178063 RMLMOCIFGRMCJA-PBHICJAKSA-N 382.268 4.134 0 1 GIAF Cc1cccc2scc(Cn3c(=O)n(CCCC(=O)O)c4ccccc43)c12 72178162 WYBNXPWKJQJMLG-UHFFFAOYSA-N 380.469 4.239 0 1 GIAF in-vitro COCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc(C)cc2)cs1 82195312 GGQYXEYBZOGXOI-KRWDZBQOSA-N 375.538 4.098 0 1 GIAF COc1ccc(CSc2nc(O)c(C)c(C(=O)c3ccccc3F)n2)cc1 96939924 WYNKVFQBWMUDCN-UHFFFAOYSA-N 384.432 4.162 0 1 GIAF CC(=O)c1ccccc1-c1ccc(-c2cc(=O)cc(N3CCOCC3)s2)cc1 101402487 QPIDUWHSWSNQHE-UHFFFAOYSA-N 391.492 4.482 0 1 GIAF c1cc([C@H]2CC[C@@H](N3CCOCC3)CC2)ccc1OCCCN1CCCCC1 101437333 NFMCJKWXWBIFGH-AFARHQOCSA-N 386.580 4.300 0 1 GIAF NC(=O)Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 113655805 LQMSNTHUOFIWKS-UHFFFAOYSA-N 397.482 4.497 0 1 GIAF COc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F 140118318 MZBWYMMFJRWVPL-UHFFFAOYSA-N 386.430 4.443 0 1 GIAF CO[C@H](COc1cccc(CNC2CCCC2)c1)CN1CCc2ccccc2C1 219776362 OOIBVZIBIMVZRK-VWLOTQADSA-N 394.559 4.171 0 1 GIAF O=c1cc(CO)oc([C@H]2C=C(c3ccccc3)Oc3ccc(Cl)cc32)c1O 299869203 UFYKIPFNLAMYPM-INIZCTEOSA-N 382.799 4.057 0 1 GIAF COC(=O)c1cc2nc(C3CC4(COC4)C3)[nH]c2c(F)c1Nc1ccccc1 586916995 QLPICTCEQUPQMF-UHFFFAOYSA-N 381.407 4.126 0 1 GIAF COc1cc(/C=C/c2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1Br 586975925 HASYUHJBQAPSJX-OPQSBORISA-N 387.237 4.228 0 1 GIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3c(F)cnc(Cl)c3[nH]2)cs1 587019007 DVMXYMONVSQLPA-UHFFFAOYSA-N 383.836 4.145 0 1 GIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Br)cc(F)c2[nH]1 587052892 RPKAPPACPGQNCX-LLVKDONJSA-N 384.636 4.066 0 1 GIAF Clc1cc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c2ccccc2n1 587085616 WWQYGWQLVLZXTL-UHFFFAOYSA-N 378.863 4.264 0 1 GIAF O=S(=O)(O)c1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587144630 BETMMPDKRGIQTH-UHFFFAOYSA-N 386.379 4.422 0 1 GIAF COc1cc(-c2nc3ccc(Cl)c(C)c3[nH]2)ccc1OCC(=O)NC(C)C 587219462 CEFZONTYNNSYLD-UHFFFAOYSA-N 387.867 4.104 0 1 GIAF O=C(c1nn2cccnc2c1Br)c1coc2ccc(Cl)cc12 587276455 PVWWUGIVLJIYHI-UHFFFAOYSA-N 376.597 4.122 0 1 GIAF CCc1nccnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334679 FTWPKCYEKVFDLF-DENIHFKCSA-N 378.403 4.158 0 1 GIAF COc1cc(Br)cc(OC)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587376721 JZCKGDBASCOMDM-INIZCTEOSA-N 392.249 4.063 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)cccc1Br)[C@@H](C2)C3=O 587423367 ISLXAFYBBIMWQU-BBATYDOGSA-N 377.209 4.260 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(C(C)C)cc1)[C@@H](C2)C3=O 587427580 DWHIARSYLWINJX-FDDCHVKYSA-N 379.456 4.354 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(/C(=C\c4ccccc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587454751 WYQMTTQWQLGTOO-JVGLVPICSA-N 398.414 4.477 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(OCC(=O)O)cc1)CC2=O 587481418 MENOZRMGLYLNTE-HSZRJFAPSA-N 398.455 4.165 0 1 GIAF Cc1ccc2c(c1)[C@@]1(CCCS2(=O)=O)CC(=O)c2ccc3c(c2O1)CCCC3 587532320 PMRMLDMTJGXMTI-HSZRJFAPSA-N 396.508 4.302 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1cc(F)cc(F)c12 587567454 CUKAAZVTZBYNCY-KNQAVFIVSA-N 396.345 4.310 0 1 GIAF CC1(C)[C@@]2(N)CC[C@@]1(C)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578726 XDJZVICGMADYTD-XCYUPCBOSA-N 379.456 4.020 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(Cl)nc32)N1 587707407 VJKAKHARXPIPAA-VVVCHXIZSA-N 381.676 4.361 0 1 GIAF COc1cc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587716116 ITZDHXAHUKFWPO-LZVRBXCZSA-N 398.247 4.368 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc(F)ccc32)N1 587734031 QASSVAZAUIPOPX-XTZNXHDOSA-N 380.232 4.288 0 1 GIAF COCCOc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587789422 BYBRRPCUVULDEW-BLVKFPJESA-N 394.284 4.237 0 1 GIAF Cc1ccc([C@]2([C@@H](C)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587828154 RUBJSQRHAAXPDY-VPZZIHKRSA-N 378.285 4.055 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c(O)cccc32)N1 587835249 VUYUIPLPVXEVNR-WYRIXSBYSA-N 376.269 4.408 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCCC3)s2)N1 587855726 VSIYFHFGJIDGEP-HWPZZCPQSA-N 396.329 4.269 0 1 GIAF CCOc1cc(-n2c(O)cc(Cc3ccccc3)c2O)c(Cl)cc1C(=O)O 587940401 IVUZKGCNCLETNO-UHFFFAOYSA-N 387.819 4.230 0 1 GIAF Cc1csc(NC(=O)c2cc([C@H](F)c3cncnc3)cc3cccnc23)n1 1857645711 WGFRPZSHAGYGHR-INIZCTEOSA-N 379.420 4.101 0 1 GIAF Cc1nc(N=c2[nH]nc(-c3ccc(C(F)(F)F)cc3)s2)c(C)c(C)c1O 1857654209 NZGCLDNYQIDTIV-UHFFFAOYSA-N 380.395 4.415 0 1 GIAF COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2c(OC)c1OC 1857751179 YSNWLSNAHXYYHL-UHFFFAOYSA-N 381.766 4.331 0 1 GIAF Cc1ccc([S@](=O)(=NC#N)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cc1 1911585218 SOZVZFKPLUXVMT-NDEPHWFRSA-N 394.500 4.017 0 1 GIAF COc1c(C)c2c(c(O)c1CC=C(C)CCCC(C)=CCC(=O)O)C(=O)OC2 2356824858 GZKFTUAJVWYPKK-UHFFFAOYSA-N 388.460 4.460 0 1 GIAF C[C@@H](C=CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356838889 MEFHLJCGADQRRZ-TUZMPLCQSA-N 388.548 4.462 0 1 GIAF Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](C(=O)c4ccc(Cl)cc4)C3)c2c1 11664327 MGZKLERXCKVDRD-OAHLLOKOSA-N 381.863 4.260 0 3 GIAF COc1ccc(N[C@H]2CCCN(Cc3cccc4cnccc34)C2)cc1OC 12307540 KUIGPSWIVPXNAY-FQEVSTJZSA-N 377.488 4.329 0 3 GIAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@H](CO)[C@@H](C)CC 775630 ODPAKYAXSFDBRT-GOEBONIOSA-N 388.508 4.175 0 1 GIAF CC[C@@H](C)N(C[C@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC 3800195 YNGZJSALRCLELM-YKCBXCCJSA-N 380.960 4.091 0 1 GIAF Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4cccc(F)c4F)c3)cc12 14961615 ZNQFWMICKJTIBV-KRWDZBQOSA-N 394.425 4.160 0 1 GIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\c2cccnc2)c1 28463184 BGEXGTUOSSSZOY-QXMHVHEDSA-N 387.483 4.108 0 1 GIAF O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccccn2)O1 29416626 WXHWCSHUPWJHQF-DPOFCPOHSA-N 394.254 4.047 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 33820733 BASPEALOGWANGT-SSGJQMIMSA-N 392.580 4.478 0 1 GIAF CC(C)N1CCN(Cc2ccc3c(c2)-c2[nH]nc(-c4ccsc4)c2C3)CC1 38391725 VNVYMRKQPWJRHG-UHFFFAOYSA-N 378.545 4.235 0 1 GIAF O=C(NCc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 40380221 KAPQLIRRKLUHPB-QGZVFWFLSA-N 392.286 4.306 0 1 GIAF COC(=O)c1ccc(CN2CCC(N[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)cc1 40845258 OQLGXTGOHZHUPV-ZYKOEDHHSA-N 384.564 4.242 0 1 GIAF O=C1CS[C@H](c2c(F)cccc2Cl)N1c1cc(Br)ccn1 40979637 XVTXNCIFAXKCMU-CQSZACIVSA-N 387.661 4.415 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(Cl)cc4)ccc31)[C@H]1CC[C@@H](C2)N1 82152427 VOFKAUFBGMAVBB-SUMWQHHRSA-N 386.904 4.014 0 1 GIAF O=C(Nc1ccc(N2CCNCC2)cc1)c1cccc(-c2ccc(Cl)cc2)n1 84635929 PDVROLFZQHGTNZ-UHFFFAOYSA-N 392.890 4.064 0 1 GIAF O[C@H]1CC[C@@H](Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 113135413 LOMZUAFMSBAHAU-HDJSIYSDSA-N 392.381 4.010 0 1 GIAF COC(=O)[C@@H]1[C@@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 139474586 NYWOLUGCSRCGJB-LILSUDLASA-N 399.918 4.470 0 1 GIAF CCCCOCCCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166544406 SPNYKTWSEFFILY-UHFFFAOYSA-N 395.503 4.171 0 1 GIAF CC1=N[C@]2(C[C@]3(CCCOC3)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N 169708634 NDUICAHCFCQKCR-FCHUYYIVSA-N 395.890 4.323 0 1 GIAF Cc1ccc([C@H](CC(=O)O)NC(=O)c2cccc(-c3ccccc3F)n2)cc1 261138906 MSWSYIICGQPEQF-FQEVSTJZSA-N 378.403 4.142 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](CC[C@@]12C)[C@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 299813243 RUDATBOHQWOJDD-NVTSXNDDSA-N 392.580 4.478 0 1 GIAF COc1ccc(-c2cc(/C=C3\C(=O)Nc4ccc(Cl)cc43)[nH]n2)cc1OC 299859952 GEXCUHOASFXQMD-DHDCSXOGSA-N 381.819 4.240 0 1 GIAF O=c1c(-c2nc3c(F)cccc3[nH]2)cc(Br)cn1Cc1ccccc1 587006776 OSMIJXROHIFJLQ-UHFFFAOYSA-N 398.235 4.342 0 1 GIAF Oc1cccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 587090941 CLYQORZTCFZTIG-UHFFFAOYSA-N 377.244 4.290 0 1 GIAF COc1cc(N)c(I)cc1-c1nc2ccc(Cl)cc2[nH]1 587179167 DNKKLUPGIBRNTO-UHFFFAOYSA-N 399.619 4.079 0 1 GIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(C(N)=O)cc3[nH]2)c1 587195035 AAZWMLYCDRZLBA-UHFFFAOYSA-N 380.448 4.009 0 1 GIAF O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 587336520 YRFXZJYYLDXXBH-UNMCSNQZSA-N 398.817 4.431 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(O)ccc32)[C@H]1c1ccc(F)cc1 587344925 HUQVVEPDCIZTIB-JTHBVZDNSA-N 391.398 4.223 0 1 GIAF CC[C@@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347891 QLSFEVDRQISWQJ-KNQAVFIVSA-N 395.386 4.222 0 1 GIAF O=C(O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355290 UFELTAKQKWFTRM-GMAHTHKFSA-N 392.382 4.260 0 1 GIAF COc1cc2c3c(c1)O[C@@H](CCc1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O 587424057 WUULIHMWSIVIQT-CVEARBPZSA-N 378.346 4.343 0 1 GIAF COC(=O)[C@H](C)[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522806 HTROTWADSVZFPK-UPCLLVRISA-N 378.468 4.321 0 1 GIAF COC(=O)/C=C/c1ccc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527497 VVXLMKLYKGSZDK-AKERNLMBSA-N 378.424 4.164 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=COc1ccc(F)cc12 587569480 LQIRWWSKEZQWDU-UGKGYDQZSA-N 376.339 4.295 0 1 GIAF COc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600072 KQCLOQMJYVAPJZ-NZQKXSOJSA-N 376.408 4.364 0 1 GIAF CN(C)CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613710 PTKSUYKFTRGTLH-SIKLNZKXSA-N 395.480 4.263 0 1 GIAF O=C(CCN1CCCCCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660659 IOWQQKUUTYZEGP-UHFFFAOYSA-N 393.462 4.109 0 1 GIAF Cc1nc(O)c(Cl)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587696574 LGFMVRZYORZVOR-CQLKUDPESA-N 399.691 4.448 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Cl)cnc2Cl)N1 587707454 VXFZFVBIABUDRG-INWYIAFRSA-N 391.071 4.309 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc[nH]2)(C(F)(F)F)N1 587711656 XQTYTZPLSCRPRT-RTHLEPHNSA-N 377.179 4.256 0 1 GIAF COC(=O)c1cc(F)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587734719 VCJFMMVJJMWWGB-XYZCENFISA-N 396.231 4.138 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccccn3)nc2)N1 587776021 VQAXXVJFMOTZEU-ADLMAVQZSA-N 399.267 4.064 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(O)nc2Cl)N1 587853130 PABGOBBWBQYZBX-RRAGMBSWSA-N 377.666 4.027 0 1 GIAF CCC[C@]1(c2ccc3c(c2)OCO3)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962573070 MPLXVLGIRCCCMJ-CMJOXMDJSA-N 383.488 4.353 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1cn(-c3ccccc3)nc1C)N(C)[C@H](C)C2 962574943 QMVQPKGKUKGOJW-IQMFZBJNSA-N 377.488 4.164 0 1 GIAF NC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)ccc1N[C@H]1CC[C@H](O)CC1 1857636046 LTYOILKVTITNJZ-WKILWMFISA-N 379.287 4.475 0 1 GIAF Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2[C@@H]1CCc2ccccc2C1 1857754421 FDURTFZKZKACSB-GOSISDBHSA-N 380.455 4.287 0 1 GIAF CCCC=C1C(OC)=CC(=O)O[C@@]12Cc1oc(=O)cc(OC)c1[C@@H](CCC)C2 2356347473 STQISBYNTWSPOY-FPTDNZKUSA-N 388.460 4.031 0 1 GIAF COC(=O)C[C@H](C)CC[C@@H]1C(COC(C)=O)=CC[C@@H]2[C@@](C)(CO)CCC[C@@]12C 2356433817 VWSFDOGERZAPRR-MDPATALOSA-N 394.552 4.280 0 1 GIAF CCCCC[C@@H]1C=C[C@@H]2[C@H](OC(C)=O)C[C@@H](O)[C@@H]2CC=CCCCC(=O)O1 2356495069 DKLUJLHAYRSKSQ-YMQHIKHWSA-N 378.509 4.094 0 1 GIAF Cc1cccc(C)c1-n1nnnc1[C@H](c1ccnc2ccccc12)N1CCCC1 95570676 RLCQYNWRSNFRBI-QFIPXVFZSA-N 384.487 4.013 0 3 GIAF CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)NC[C@H](O)CC 4310529 QAJHKACOFFCVDL-VMDGZTHMSA-N 398.906 4.380 0 1 GIAF CC1=C[C@@H](C)[C@H](C)N(CCNS(=O)(=O)c2ccc(C)cc2)c2ccccc21 5553306 GNQPOUDSQAHPQM-MJGOQNOKSA-N 384.545 4.221 0 1 GIAF CCOc1ccc2c(c1)SC1=N[C@@](c3ccccc3)(C(F)(F)F)NC(=O)N12 6962279 TYWGVUOCJPYFQT-KRWDZBQOSA-N 393.390 4.492 0 1 GIAF Nc1c(C(=O)c2cccc(CCC3(O)CCCC3)c2)cnn1-c1ccc(F)cc1 13683081 BSNOOUBZAZNTTC-UHFFFAOYSA-N 393.462 4.062 0 1 GIAF CCN(CC)C(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 28568572 VGGFHJKLCAAIOU-CFAKLJOASA-N 385.548 4.094 0 1 GIAF in-vivo CN(C)CCc1cn(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc12 28883980 PILGJCGURQEIFR-UHFFFAOYSA-N 396.434 4.001 0 1 GIAF CCN(CC)Cc1ccc(OCCCCCCCCN2CCN(C)CC2)cc1 49036094 XYJIEMYMKUBKEQ-UHFFFAOYSA-N 389.628 4.495 0 1 GIAF O[C@H](c1ccc2c(c1)CN(Cc1c[nH]c3ccccc13)CCO2)c1ccccn1 55401584 CKIKSALVNHWTDQ-XMMPIXPASA-N 385.467 4.039 0 1 GIAF CCS(=O)(=O)N(CCC(F)(F)F)c1sc2ccccc2c1[C@@H](C)O 115231349 GJQNXPFEDLXTOO-SNVBAGLBSA-N 381.441 4.063 0 1 GIAF C[C@]12CC[C@@H]3c4cc(NC(=O)c5ccncc5)c(O)cc4CC[C@H]3[C@@H]1CCC2=O 139372129 TXRBRWIJCHJAHH-MIVVTYSHSA-N 390.483 4.465 0 1 GIAF COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@@H](OC)[C@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 195426341 VVOONWVRIYRRAY-SHJAMWONSA-N 380.415 4.264 0 1 GIAF COC(=O)[C@H]1CCC[C@@H](C(=O)OC)CC/C=C(/C)CC[C@@H]2C[C@H]1OC2(C)C 238772902 LLKYJPRIUKKHDS-YJSYXMEBSA-N 380.525 4.439 0 1 GIAF O=C(Cc1ccccc1)OC[C@@H](CO)c1ccc(OCc2ccccc2)cc1 473155255 QWEMZZCPRQAYMZ-JOCHJYFZSA-N 376.452 4.127 0 1 GIAF CCc1ccc2nc(COc3c(C=O)cc(Br)cc3OC)[nH]c2c1 586980287 NOPFALFRZKJEPI-UHFFFAOYSA-N 389.249 4.288 0 1 GIAF Cc1cnc(Cl)c2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc12 587019452 NMHWIUNDKWQCMC-UHFFFAOYSA-N 379.873 4.314 0 1 GIAF COc1cc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1F 587112339 IRAMHYGXSJDPIR-SFHVURJKSA-N 395.356 4.129 0 1 GIAF Nc1cccc2c1[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336634 NXUVDQWJPCKCCU-GGAORHGYSA-N 375.399 4.314 0 1 GIAF C[C@H](N)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340277 VPUGGTKMFSQTJN-BKAZIGDYSA-N 377.415 4.133 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Br)cnc1Cl)[C@@H](C2)C3=O 587417399 KBNIFEBIAOMSTJ-GTNSWQLSSA-N 394.652 4.169 0 1 GIAF COc1ccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587444944 XMHZVQOTHPZHHI-NTKDMRAZSA-N 388.419 4.101 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3ccc(C(=O)OC)cc13)CC2=O 587479898 ASCSSWVKAWECAX-QHCPKHFHSA-N 393.439 4.493 0 1 GIAF Nc1cc2c(cc1Cl)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551678 IJOMLOSIYAGDJW-KNQAVFIVSA-N 393.826 4.431 0 1 GIAF C/C=C\CC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590626 CTZDCJFCXAGFCF-ZWQKGKBNSA-N 382.412 4.012 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(N)cc(F)cc2F)N1 587717744 GMJZNYDXQVOQKO-WNWIJWBNSA-N 385.227 4.246 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(F)ccc(F)c32)N1 587735329 TXDIFFZDMQZLDS-LZVRBXCZSA-N 398.222 4.427 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3snnc3c2)N1 587858174 OWDCQKYQASKCRK-ZKANADHPSA-N 378.270 4.217 0 1 GIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Br)c(F)cc3[nH]2)cc1 587936322 KPKPLHPKOYNYRD-FVMDXXJSSA-N 379.229 4.310 0 1 GIAF COc1ccc2c(c1)[C@](C)(c1ccc(OC)c(CN(C)C)c1)N(C(C)C)CC2 962091158 NCEYJSISXNXTNG-DEOSSOPVSA-N 382.548 4.295 0 1 GIAF COc1cc2c(cc1OC)[C@](CCCN(C)C)(Cc1ccccc1)N(C)[C@@H](C)C2 962629670 IDMGOULNKMNFDW-DFBJGRDBSA-N 396.575 4.360 0 1 GIAF CN1CCc2c(sc(N)c2[C@]2(C)c3ccsc3CCN2Cc2ccco2)C1 962706650 KFENAGKSETVNOM-NRFANRHFSA-N 399.585 4.295 0 1 GIAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]12CCC[C@H]2C(C)(C)C 963134398 ALIQOHODQLDOHH-PJSUUKDQSA-N 394.537 4.431 0 1 GIAF Oc1ccc2c(c1)[C@](c1ccc(Cl)cc1)(c1ccc3c(c1)OCCO3)NCC2 963354671 XVJBRVALVJSMDC-QHCPKHFHSA-N 393.870 4.254 0 1 GIAF O=C(O)CCc1ccc(OCc2ccccc2SC(F)(F)F)c(CO)c1 1772643263 KVFMBXQGPJRDLB-UHFFFAOYSA-N 386.391 4.387 0 1 GIAF c1ccc(Cn2c(CCc3cnc[nH]3)nnc2CCc2c[nH]c3ccccc23)cc1 1857587353 CEWYQXOSZCKHKH-UHFFFAOYSA-N 396.498 4.101 0 1 GIAF CC(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)s1 1857652287 LEDDWEUZAMKWIO-HNNXBMFYSA-N 389.546 4.328 0 1 GIAF CC1=C[C@H](CNC(=O)c2ccco2)[C@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1 2356312665 CMDKPQRGARFWCS-OTWHNJEPSA-N 395.503 4.288 0 1 GIAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)[C@H](O)C[C@@H]12 2356420736 LOQBMALJVSKCDP-BTLWPNANSA-N 386.532 4.098 0 1 GIAF CC=Cc1ccc(O[C@@H](C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2356440048 LNEPYGTUEWFPKT-LHSJRXKWSA-N 388.460 4.255 0 1 GIAF CCO[C@@H]1OC[C@@]23CCC[C@@]1(C(=O)OC)[C@@H]2CC[C@@H]1[C@H](C)c2ccoc2C[C@@H]13 2356760657 CCEGZEAPRHXFQB-YPPXRXMDSA-N 388.504 4.304 0 1 GIAF Cc1ccc2c(c1)-n1c(nc3cc(C)ccc3c1=O)[C@H](Cc1ccccc1)NC2=O 61949290 SELXKFCNVQWBLD-NRFANRHFSA-N 395.462 4.030 0 3 GIAF CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl 772730 PXDRRCXMPKPSJV-NVXWUHKLSA-N 381.234 4.313 0 1 GIAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](CO)[C@@H](C)CC)c1 775775 XWUVJRHCQIYQLS-WMLDXEAASA-N 388.508 4.175 0 1 GIAF CC(C)C(C/C=C1\C[C@](CO)(COC(=O)C2CCCCC2)OC1=O)C(C)C 5962484 MQVKKNWFZZUPHW-RJSQPESZSA-N 380.525 4.033 0 1 GIAF CC(=O)OC/C=C(\C)CC[C@@H](O)[C@]1(C)CCC=C(CCC=C(C)C)C(=O)O1 13304099 HEHIVTKZZNEECQ-BAFDNMDASA-N 378.509 4.405 0 1 GIAF COc1c([C@@H](O)CC(C)C)ccc(Oc2c(O)cc(C)cc2C=O)c1C(=O)O 14721421 BMVVUSNXBMJARY-HNNXBMFYSA-N 388.416 4.092 0 1 GIAF biogenic Nc1sc2c(c1C(=O)c1cccc(I)c1)CCCCC2 27304060 RJWXHGCXXMHOCP-UHFFFAOYSA-N 397.281 4.435 0 1 GIAF CCOC(=O)C1=CN(C(=O)Oc2ccccc2)C=C[C@@H]1c1ccc(OC)cc1 28649392 VGWUGLWTKLFQCP-LJQANCHMSA-N 379.412 4.254 0 1 GIAF CN(C)c1cc2c(Nc3ccc4c(c3)ncn4Cc3ccccc3)ncnc2cn1 64539671 MRRFEIQENFJMOR-UHFFFAOYSA-N 395.470 4.232 0 1 GIAF CN(C)c1ccc(C(=O)c2cc3cc(I)ccc3o2)cc1 72171041 YCVMWUQCHHXKNN-UHFFFAOYSA-N 391.208 4.334 0 1 GIAF CC(C)n1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@@H]1CC[C@H](C2)N1 82153135 LFEAFGOATXWVAQ-BEFAXECRSA-N 380.513 4.404 0 1 GIAF CCCCNC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 84633135 ZXRPRSOBABQJOG-UHFFFAOYSA-N 395.463 4.312 0 1 GIAF CC(C)(C)CN1C(=O)CC[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 95565051 MKGPGUJIIFWSDH-CYBMUJFWSA-N 390.833 4.012 0 1 GIAF COc1cc2c(C[C@H]3CCC[C@H](C)C3)c(C(=O)Nc3nn[nH]n3)sc2cc1C 95565942 VFNNESNZARAGRT-AAEUAGOBSA-N 399.520 4.353 0 1 GIAF COc1cccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)s2)n1 117416242 GWYAEHCZFGRUJF-UHFFFAOYSA-N 385.880 4.279 0 1 GIAF Nc1ccc(C2CCCCC2)nc1C(=O)Nc1cnccc1[C@@H]1CCC[C@H](N)C1 140146747 AKRXLINEJRYTHQ-SJORKVTESA-N 393.535 4.344 0 1 GIAF COc1ccc(-c2ccc(CNS(=O)(=O)c3cc4ccccc4[nH]3)cc2)cc1 203660414 BOGMYGBNBFCFBV-UHFFFAOYSA-N 392.480 4.322 0 1 GIAF COc1cc(-c2nc(-c3c[nH]c4ccc(C)cc34)cnc2O)cc(OC)c1OC 299819655 BAJXJKMGTOHSDZ-UHFFFAOYSA-N 391.427 4.332 0 1 GIAF CCc1cc(O)nc(SCc2nc3cccc(OCc4ccccc4)c3[nH]2)n1 586967047 RZLQMBHJVUPIDI-UHFFFAOYSA-N 392.484 4.492 0 1 GIAF COC(=O)c1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cn1 587094840 JDPWWMUVLQZTRJ-UHFFFAOYSA-N 389.255 4.449 0 1 GIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587109429 PLYOHLAMIGWRCU-UHFFFAOYSA-N 390.296 4.272 0 1 GIAF COC(=O)c1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cn1 587159319 YAMPKMRVUZJGEJ-UHFFFAOYSA-N 375.359 4.030 0 1 GIAF Fc1cc2c(c(Cc3nc4cc(Br)cc(F)c4[nH]3)c1)OCOC2 587172139 WZAVZQOXSMARFE-UHFFFAOYSA-N 381.176 4.061 0 1 GIAF O=C1c2ccccc2-c2cc(-c3ccccc3[C@@H](O)C(=O)O)nc3cccc1c23 587207995 ZTNPSXGQSKCBRH-HSZRJFAPSA-N 381.387 4.231 0 1 GIAF NC1CCC(c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC1 587256930 VQESYVIEXBGLOG-UHFFFAOYSA-N 378.192 4.209 0 1 GIAF C[C@@]1(c2ccc(Cl)nn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326939 DKSRLPCRUGZLMB-QUCCMNQESA-N 384.794 4.249 0 1 GIAF CCOC(=O)C[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587345615 GBHPUQBMIQJJCB-XFEAKLGESA-N 398.430 4.382 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2([C@@H]1c1ccc(F)cc1)[C@H]1[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]1[C@@H]53)[C@@H]42 587356218 ZOSPFAFFNVNUPX-DSKXBEQQSA-N 388.438 4.407 0 1 GIAF CC(=O)Nc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587575498 CIUGGQBZTSNLMD-NFBKMPQASA-N 389.407 4.228 0 1 GIAF C[C@]1(c2ccnn2-c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578852 BKMXMOOAJIDPAS-XUZZJYLKSA-N 398.418 4.455 0 1 GIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1OC 587595756 SILWUNFFTXCDPU-CVDCTZTESA-N 392.407 4.421 0 1 GIAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC 587599341 FMQVSCZJOLPZTC-XMSQKQJNSA-N 378.380 4.112 0 1 GIAF CN(C)/C=C/[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613526 PGYCRTMDHUTEPL-RJHNZLOYSA-N 393.464 4.386 0 1 GIAF COc1c(F)cc(F)cc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658088 FNTGPNCELIBZOF-UHFFFAOYSA-N 382.341 4.479 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2C(=O)C(F)(F)F)N1 587709272 JXPKNDMLXNECOT-FFIJEWMLSA-N 394.206 4.249 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccccc2)N1 587742430 KYQIEYGZOKFAND-BUXKBTBVSA-N 391.284 4.366 0 1 GIAF CCc1nn(C)c(CC)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587758597 QXNBGZDQQSPWOO-YPMLDQLKSA-N 380.305 4.070 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3cnn(C)c23)N1 587761767 VTWQAVQDWIYNFF-NSPYISDASA-N 388.284 4.273 0 1 GIAF CCOC(=O)[C@@H]1[C@H](C)CC=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587792752 CQRTWXJGLXJMKF-FEJNDBLASA-N 396.300 4.093 0 1 GIAF COc1ccc2c(c1)[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587804833 CBMWHMPVYDMJHR-WYRIXSBYSA-N 376.269 4.321 0 1 GIAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(F)c(Br)c3[nH]2)cc1 587936440 LHCDYBZKDWQXDL-JDNHERCYSA-N 379.229 4.310 0 1 GIAF CC1CCN(CCCOc2ccc(=O)n(-c3cc(Cl)cc(Cl)c3)n2)CC1 653883087 IWAUBXFHEYBREF-UHFFFAOYSA-N 396.318 4.040 0 1 GIAF COc1ccc2c(c1OC)[C@](CC(=O)C(F)(F)F)(C(C)(C)C)N(C)[C@@H](C)C2 962640674 RPHAFPDQEJNKCY-HXPMCKFVSA-N 387.442 4.343 0 1 GIAF CN1CCc2c(Br)cccc2[C@]1(c1ccncc1)[C@H]1CCSC1 963290731 XUZUUTBWEBTNHF-KXBFYZLASA-N 389.362 4.329 0 1 GIAF Cc1cc(O)cc2c1Oc1c(Cc3ccc(O)cc3)c(O)cc(C)c1C(=O)O2 1857547282 LMSBOSNCHRJDJX-UHFFFAOYSA-N 378.380 4.336 0 1 GIAF COc1cccc(-c2cccc(NC(=O)CCc3cccc4c3[C@H](O)OC4)c2)c1 1857621394 LBDPTGKTUHTEDA-XMMPIXPASA-N 389.451 4.455 0 1 GIAF COC(=O)[C@]1(C=C2c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@H]2Oc3ccccc3[C@@H]21 1857622821 VVOONWVRIYRRAY-PMGNSPNGSA-N 380.415 4.264 0 1 GIAF Cc1ccc2nc(N3CCCc4ccc(F)cc4C3)cc(N[C@H](C)CN)c2c1 1857745155 JEQZHMDGQGUAGE-MRXNPFEDSA-N 378.495 4.394 0 1 GIAF Cc1cc(NC(=O)CSCc2nc(-c3cccc(Cl)c3)oc2C)no1 3030108 KNVUQVYAWNJWRO-UHFFFAOYSA-N 377.853 4.472 0 3 GIAF CN1O[C@@](C)(CC(=O)Nc2ccccc2)N=C1c1cccc(C(F)(F)F)c1 206059035 AFOUMAMYGMYOQY-SFHVURJKSA-N 377.366 4.074 0 3 GIAF Fc1ccc(C2(CCCN3CCc4[nH]c5cc(F)ccc5c4C3)OCCO2)cc1 1640512 ARZYSJSNEBIXCS-UHFFFAOYSA-N 398.453 4.484 0 1 GIAF CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1C 4070114 OBGOVBQSNKGQTF-OAQYLSRUSA-N 394.471 4.187 0 1 GIAF CS(=O)(=O)c1ccc(-n2c(Cl)nc(Cl)c2-c2ccc(F)cc2)cc1 13525096 MTRLSYDWHIABRI-UHFFFAOYSA-N 385.247 4.389 0 1 GIAF CCCc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 13832048 FFPRLSSEARFAGO-UHFFFAOYSA-N 376.500 4.223 0 1 GIAF Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1Nc1ccccc1S2 28646996 CDCQHMSYYDAWPD-UHFFFAOYSA-N 375.501 4.320 0 1 GIAF O=C(NCc1ccccc1)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 33255300 MZDGJTJJLPAAIJ-UHFFFAOYSA-N 396.878 4.479 0 1 GIAF CC1=C(Br)C[C@]2([C@@H](O)C1)C(C)(C)C(Br)=C[C@H]1O[C@]12C 34194997 MYCHIDVDJCGUGV-MXYBEHONSA-N 392.131 4.273 0 1 GIAF O=S(=O)(Nc1cc(-c2cnc3[nH]ccc3c2)cnc1Cl)c1ccccc1 43176505 CXQCIWGEISYBCY-UHFFFAOYSA-N 384.848 4.079 0 1 GIAF CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2ccc(OC)cc2)n1 45203052 KIPCOAUEIMHDQR-UHFFFAOYSA-N 383.540 4.240 0 1 GIAF CC(C)CNc1ncnc2c1nc(-c1ccccc1)n2CC[C@H]1CCCN1C 82177779 GVMABPMBAWMISV-GOSISDBHSA-N 378.524 4.046 0 1 GIAF COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCC[C@@H]4[C@H]3C2=O)c1 105514621 OHMBYDILZVAUPW-XTCWOQMQSA-N 386.451 4.347 0 1 GIAF CCOc1cc2c(cc1O)[C@@H](NC(C)=O)CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 169321290 YRMUBJUOYFERGW-BIDGVRRPSA-N 387.520 4.033 0 1 GIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C)cc(F)c2[nH]1 586983835 CYPAUFFNEJQHPA-INIZCTEOSA-N 390.256 4.193 0 1 GIAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587062508 UHUGTFKENWNUTD-LJQANCHMSA-N 384.911 4.498 0 1 GIAF Fc1c(F)c(-c2nc3c(Br)ccnc3[nH]2)c(F)c(F)c1S 587134917 RBUSDCAOQPMZEX-UHFFFAOYSA-N 378.148 4.233 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587135847 GNRJYSNBEZSNED-UHFFFAOYSA-N 395.203 4.376 0 1 GIAF COc1ccc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c2n1 587143919 CMJWKZFEHWBQCQ-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CNC(=O)OC(C)(C)C)cc1)O2 587387357 PKZNIRSDWCEJPM-LJQANCHMSA-N 382.460 4.308 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C[C@@H](C)C(=O)O)(c1cccc(F)c1)CC2=O 587465729 GHFUACPISHUVND-MCMMXHMISA-N 386.419 4.455 0 1 GIAF CCC[C@@]1(/C(=C\N(C)C)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587513731 UEUDSLFDHQJBSB-PFFSESEHSA-N 385.504 4.078 0 1 GIAF CC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)[nH]c2c(C)cc(Cl)cc12 587627293 RSBLQJDQKQFTJJ-UHFFFAOYSA-N 380.831 4.171 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(NC(=O)C2CC2)cc1 587871088 ZFUWELGZABRZMW-UHFFFAOYSA-N 393.418 4.125 0 1 GIAF COc1cc2c(cc1OC)C1(CCN(OCc3ccccc3)CC1)N(C)[C@H](C)C2 962635927 VDCPFVXAFRIKGH-GOSISDBHSA-N 396.531 4.003 0 1 GIAF C[C@@]1(Cc2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962638720 NLJHTFRZSNUQDB-WMZOPIPTSA-N 399.796 4.295 0 1 GIAF Cc1c[nH]c(C)c1[C@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963200091 XTMAGRLPIDPRJW-PXAZEXFGSA-N 386.801 4.166 0 1 GIAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)[C@H]1O[C@@H]3C[C@@H]1C(=O)O 1772653457 OXLSIZDDPLIXST-XGXGILIOSA-N 388.504 4.262 0 1 GIAF Fc1ccc(CCOc2cncc3nnc(-c4ccc(Cl)cc4)n23)cc1F 1857582856 PMHUSEXABGDNGS-UHFFFAOYSA-N 386.789 4.344 0 1 GIAF CC(C)(C)CC(=O)N1C[C@H]2C[C@H]1C(=O)N(Cc1ccccc1)c1ccccc1O2 2356319542 MJZBDZGHHZGITA-QUCCMNQESA-N 392.499 4.018 0 1 GIAF COc1ccccc1CN1C(=O)c2ccccc2[C@@H]1C(=O)NC1CCC(C)CC1 3044642 PCRUOXHIZNFULE-CWZMJNCASA-N 392.499 4.087 0 3 GIAF COc1cccc(C[C@@]2(CO)CCCN(Cc3ccc(OC(F)F)cc3)C2)c1 11873677 KYNVKPJXTWHFDI-QFIPXVFZSA-N 391.458 4.114 0 3 GIAF CCCN1CCC(=O)N([C@H](CSc2ccccc2)Cc2ccccc2)CC1 12474597 NCKLHQXGDHIJLI-NRFANRHFSA-N 382.573 4.334 0 3 GIAF Cc1ccc(CN2C(=O)CSC[C@]2(C)C(=O)Nc2c(C)cccc2C)cc1 199230690 SXEMPSDLGXNHKS-JOCHJYFZSA-N 382.529 4.085 0 3 GIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215781 OJDDWOUTTXHPHK-UDTPNQRGSA-N 380.554 4.285 0 1 GIAF CCOC(=O)c1cnc2ccc(OCC)cc2c1NCc1ccccc1OC 4562972 LJPTUVAFNJGZRI-UHFFFAOYSA-N 380.444 4.431 0 3 GIAF C[C@H]1CN(C(=O)CCC(=O)NCc2cccc(Cl)c2)c2ccccc2S1 6750757 CRAGGCKGELVSGV-AWEZNQCLSA-N 388.920 4.264 0 1 GIAF COc1ccc([C@@](C)(O)c2nc(N3CCC(F)(F)CC3)nc3ccccc23)cc1 1911581454 YLJHAXHBPAPQKU-OAQYLSRUSA-N 399.441 4.130 0 1 GIAF COc1cccc(CNC(=O)C2CCN(Cc3cccc4ccccc34)CC2)c1 53243625 GLVCUBKWOFPCAD-UHFFFAOYSA-N 388.511 4.377 0 1 GIAF COc1cc(CCc2ccc(NC(=O)c3ccc(C)cc3O)cc2)ccc1O 28014933 DPILTSFMZDRXQA-UHFFFAOYSA-N 377.440 4.452 0 1 GIAF CCOC(=O)/C(=C\Nc1ccc(Br)cc1)c1ccc(OC)cc1 28714127 DTIBZPWWKCUGSD-ATVHPVEESA-N 376.250 4.474 0 1 GIAF COc1ccccc1[C@H]1c2ccc3[nH]c(C)c(OC)c(=O)c3c2[C@H]2CC[C@H]1O2 2356686627 MYNMNWGJFAEUKU-QRVBRYPASA-N 377.440 4.219 0 1 GIAF COc1ccc(-c2csc([C@](C)(O)c3ccc(F)c(F)c3)n2)cc1OC 61902900 CIHMHPYYFKGJPR-LJQANCHMSA-N 377.412 4.361 0 3 GIAF Cc1ccc(CNc2ncnc3c2nc(C(C)C)n3CC[C@H]2CCCN2C)cc1 82179356 HKGLYXHDRHQUJY-LJQANCHMSA-N 392.551 4.355 0 1 GIAF O=C(NCCF)Nc1ccc(-c2nc(C3=CCOCC3)c3sccc3n2)cc1 45339621 DRQLIZARSVBQMJ-UHFFFAOYSA-N 398.463 4.253 0 1 GIAF CC(C)NC(=N)c1ccc(-c2cc3cc(C(=N)NC(C)C)cc(O)c3o2)cc1 40420404 AMHFFXGLHXLFPT-UHFFFAOYSA-N 378.476 4.452 0 1 GIAF CC(=O)Nc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 139347964 ZTTCQTJWGUMEMD-UHFFFAOYSA-N 395.466 4.254 0 1 GIAF Cc1cc(NCCC(=O)Nc2ccccc2)nc(NCCc2ccc(F)cc2)n1 45325159 NZNUXYRKXVVIOE-UHFFFAOYSA-N 393.466 4.019 0 1 GIAF COc1ccc(S(=O)(=O)N2CCc3cccc(NCc4ccccc4)c32)cc1 40568463 BPIQUBNPOLTJST-UHFFFAOYSA-N 394.496 4.059 0 1 GIAF O=C(Nc1ccnc(NC(=O)c2ccccc2Br)c1)c1ccccc1 84651876 PTNGSFMIODILES-UHFFFAOYSA-N 396.244 4.349 0 1 GIAF COc1cc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2cn1 587138690 QFMTXSHCPDHKQA-UHFFFAOYSA-N 381.338 4.277 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCCCC[C@@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433707 UWNDDLRTHVUTJM-GIMINZRKSA-N 387.476 4.039 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(C)=O)cc3[nH]2)cc1 587044294 ZBPXPBITSLQGPX-IBGZPJMESA-N 395.484 4.052 0 1 GIAF Cc1cc(Cl)cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 587236973 IXSYMOQHNVWBLW-UHFFFAOYSA-N 379.888 4.180 0 1 GIAF CC(=O)Nc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850512 ZKIMQOIAHPBWQU-BCTVWOGZSA-N 383.286 4.232 0 1 GIAF CCOc1ccc(C(=O)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587592555 AGGCUQIYKBTMTR-CVDCTZTESA-N 390.391 4.004 0 1 GIAF O=C1O/C(=C\c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2ccccc21 586907302 VTDNOIZHXTZGQX-SDQBBNPISA-N 381.260 4.281 0 1 GIAF FC(F)(F)c1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cn1 587007197 NRVMKMLLAXDZSK-UHFFFAOYSA-N 382.143 4.283 0 1 GIAF Cc1ccc(-n2cnnc2SCc2nc3cncc(Cl)c3[nH]2)cc1Cl 586968094 MHBFBJUFZQCVEB-UHFFFAOYSA-N 391.287 4.446 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)c[nH]c3nccc2-3)N1 587729306 GVYWKOMDZGQPFL-DYBLOJMWSA-N 392.247 4.353 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587161801 DOJRGRQAOJKKKG-IRXDYDNUSA-N 387.480 4.004 0 1 GIAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608034 KBNYLSVQWQCDBM-CMXFLFKJSA-N 394.423 4.004 0 1 GIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(CCO)cc3[nH]2)c1 587196525 YZVAXPCMRHJWFL-UHFFFAOYSA-N 381.476 4.444 0 1 GIAF CC(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814271 SWNPORDZMYLAQY-HXPMCKFVSA-N 376.269 4.345 0 1 GIAF C[C@@]1([C@H](N=O)C(=O)Nc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511270 JPKYXXYOJSKPDO-IRLDBZIGSA-N 378.428 4.063 0 1 GIAF Cc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCCO2 587606843 FGSRFXXPPILYNM-OFNKIYASSA-N 390.391 4.175 0 1 GIAF CN(c1ccc(-c2csc(Cc3ccccc3Cl)n2)cc1)S(C)(=O)=O 587923796 OXXOJSGOWWYUMX-UHFFFAOYSA-N 392.933 4.450 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587192532 VEKDWRLINPWQAP-QZTJIDSGSA-N 395.463 4.243 0 1 GIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2ccccc2C)C(=O)OC)cc1 1772608420 RMKUDMIELUFGPE-UZUQRXQVSA-N 397.515 4.383 0 1 GIAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@@H]1C[C@@H]1c1ccccc1 13679932 KEBJTPRYSCTYBB-DHIUTWEWSA-N 388.555 4.276 0 1 GIAF c1ccc2c(c1)C[C@H]2CCCN1CCN(c2cccc3c2OCCCO3)CC1 13743697 KULSGZOFQQANMZ-HXUWFJFHSA-N 378.516 4.090 0 1 GIAF COc1c2c(cc3c1[C@H]1Oc4cc5c(cc4[C@@H]1CO3)OCO5)OC(C)(C)CC2 14613185 QQYQFSONAPRYKI-ZSEKCTLFSA-N 382.412 4.137 0 1 GIAF biogenic CCN(C)CCOc1ccc2c(c1)C(C)(C)[C@@H]1Oc3cc(F)ccc3[C@H]1C2=O 166024297 ZUSHXHDVTSGFEB-RBBKRZOGSA-N 383.463 4.175 0 1 GIAF O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773409 LQNPARKDORYGBC-HZPDHXFCSA-N 386.448 4.243 0 1 GIAF COc1cc([C@@H]2SCC(=O)N2c2ccccc2Cl)cc(OC)c1OC 1862919 JIXDELGPRVHNPA-SFHVURJKSA-N 379.865 4.144 0 1 GIAF O=S(=O)(CF)c1ccc(-c2cc3c(cc2Cc2ccccc2)OCO3)cc1 13530501 QYGBSELGIJIHHQ-UHFFFAOYSA-N 384.428 4.374 0 1 GIAF NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl 14961544 APBVMOUFGHLMMC-UHFFFAOYSA-N 389.286 4.026 0 1 GIAF COc1ccc(-c2nc([S@](=O)C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1 28219799 PSYWEEGGSPUNBL-HHHXNRCGSA-N 396.390 4.388 0 1 GIAF Cc1cccc(C[C@@H](O)/C=C/[C@@H]2[C@H]3CC(CCCCC(=O)O)=C[C@H]3C[C@H]2O)c1 33987014 WECZQLFTKNIXDD-RNJUVHPUSA-N 384.516 4.043 0 1 GIAF in-vitro COc1cc(OC)c(Nc2ccc3nnc(-c4ccccc4)n3n2)cc1Cl 63540338 XCOXIWXNKPXIEK-UHFFFAOYSA-N 381.823 4.206 0 1 GIAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)c1cncnc1 72175946 JRHLVCCOBYWPEE-FQEVSTJZSA-N 378.863 4.478 0 1 GIAF CC(C)Cc1nc2c(NCc3ccccc3)ncnc2n1CCN1CCCCC1 82178546 MNLWDPYKUNMCIW-UHFFFAOYSA-N 392.551 4.123 0 1 GIAF O[C@H](COc1ccc2c(c1)[nH]c1ccc(F)cc12)CN1CCOc2ccccc21 96939747 WDGSFULAXQYJKZ-INIZCTEOSA-N 392.430 4.099 0 1 GIAF O=c1cc(C2=CC=C[C@@H]3Sc4ccccc4S[C@H]23)oc(N2CCOCC2)c1 103044740 IQDUOPZMLAKYOJ-PZJWPPBQSA-N 397.521 4.065 0 1 GIAF CC[C@H](Cc1ccc(O)c(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C 103251377 JQDUVTPGLRBCNA-LJQANCHMSA-N 375.534 4.234 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@@]4(C)[C@@H]3CC[C@@]12C 169713474 ARCONGNMKCTCRP-UPNUWDRRSA-N 388.596 4.382 0 1 GIAF CCn1ncnc1[C@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 169729635 YQPYDPHVRRCBDW-JKSUJKDBSA-N 375.263 4.281 0 1 GIAF Cc1c(Br)cc2c(c1Br)O[C@@]1(CO)CC[C@]2(C)[C@@H]1C 238776673 SIPAMAWKUWFTJM-TZTCFGBESA-N 390.115 4.331 0 1 GIAF C/C=C(\C)C(=O)O[C@H]1C/C(C)=C/CC[C@]2(C)O[C@H]2[C@H](OC(C)=O)[C@H]1C(C)C 238781565 CCQQLNBOUQGCJN-FQNLYZJOSA-N 378.509 4.356 0 1 GIAF O=S(=O)(/C=C\c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccccc1 586924159 JPOCKFMSDLZALS-SREVYHEPSA-N 399.216 4.048 0 1 GIAF Clc1ccc(Br)nc1-c1nc2cc(Br)ncc2[nH]1 587005095 MXKLHSJVJOMREF-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF Clc1ccc(Br)nc1-c1nc2ccc(Br)nc2[nH]1 587005441 WGKIIDXGWCOPGQ-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF c1cc2c(cc1-c1nc(-c3nc4cc5c(cc4[nH]3)OCCO5)cs1)CCO2 587018232 YWNKZDRDVIPXJN-UHFFFAOYSA-N 377.425 4.060 0 1 GIAF Cc1cc(Cl)cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587117499 CNWKCRHBVMSDTH-UHFFFAOYSA-N 381.745 4.443 0 1 GIAF Fc1c(Br)cc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1F 587122201 BXTVDTVWLSBNEO-UHFFFAOYSA-N 390.134 4.310 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3ccc(C)c(F)c3)[nH]c2c1 587146705 SVPPSIRPLOXAKB-YFHOEESVSA-N 387.480 4.259 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@H]3C[C@@H]3c3cccc(F)c3F)nc-2[nH]1 587152449 NLKAREBZNVVGNL-KGLIPLIRSA-N 393.397 4.172 0 1 GIAF CCOc1cc(Br)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1O 587377136 LHRNZRJTRQTTPX-HNNXBMFYSA-N 392.249 4.151 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3ccccc3)Oc3cc(N)ccc31)O2 587392032 WBWHEUBGUYMVHW-DEOSSOPVSA-N 384.435 4.454 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(C(=O)O)[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O 587419875 FSLXOPCMHRBFBD-BUXKBTBVSA-N 383.787 4.017 0 1 GIAF COC(=O)[C@@]1(c2cn(C)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587515989 QBZMPJWNTGFTIC-DEOSSOPVSA-N 389.451 4.091 0 1 GIAF CCCOc1cccc(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 587570099 UQBHXIVPPNXROY-UHFFFAOYSA-N 389.249 4.403 0 1 GIAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1-c1ccccc1 587575949 HARDWAODGSKDBU-NFBKMPQASA-N 398.418 4.496 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2nc1O 587588347 SWWUNIOKXSYPOZ-DENIHFKCSA-N 385.375 4.349 0 1 GIAF COC(=O)C[C@@]1(C2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587808524 OGJWRAOBNBCBPX-ZMZPIMSZSA-N 384.289 4.071 0 1 GIAF CC(C)C1=CC=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)C1 587822978 NVHQUWUCLOVVEJ-CWTRNNRKSA-N 378.285 4.429 0 1 GIAF C[C@H](O)Cc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587835469 XEYWXWLRVHCQNI-SYTFOFBDSA-N 378.285 4.135 0 1 GIAF COc1ccc(C[C@@H](C)c2nc3cc(Br)ncc3[nH]2)cc1OC 587927960 ZUGQNDQRSDGNGZ-SNVBAGLBSA-N 376.254 4.084 0 1 GIAF COc1ccc([C@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587938383 WAVHHHTWZPTCHO-QFIPXVFZSA-N 385.423 4.083 0 1 GIAF C[C@@]1(C[C@H]2C=CCC2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962926816 VMIWGDMETUXGSU-GNOCETLISA-N 379.456 4.355 0 1 GIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2-n2cncn2)N1 962958193 PDJFIFIPGXBTET-VBKZILBWSA-N 377.879 4.416 0 1 GIAF Brc1ccc([C@@H]2NCCc3nc4ccccn4c32)c2ccccc12 962992106 XEUBHTDQVSELEK-IBGZPJMESA-N 378.273 4.485 0 1 GIAF COc1c(OCc2ncc(C)o2)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772596775 KZBHZKSDKUNXFF-UHFFFAOYSA-N 379.368 4.050 0 1 GIAF COc1cc(I)ccc1CNC12CC3CC(CC(C3)C1)C2 1857551340 QIYOOOQGEWYDMN-UHFFFAOYSA-N 397.300 4.358 0 1 GIAF COc1cc(OC)c(-c2cn3ccc(-c4cncc(N)c4)cc3n2)cc1Cl 1857606462 VARIUBOYYJMHQZ-UHFFFAOYSA-N 380.835 4.316 0 1 GIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(C)=O)[C@@H](C)[C@@]12C 2356689796 ZBEIDAHTEHJVBJ-MWALMEJDSA-N 388.460 4.319 0 1 GIAF CC1(C)O[C@@]2([C@@H]3CCC[C@@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@@](N)(CCO)C2 2356771467 YENLEYLOULYBJW-MUYKOIAZSA-N 387.564 4.169 0 1 GIAF O=C(Nc1ccc2c(c1)OCCO2)[C@@H](Nc1ccccc1)c1ccccc1F 206049885 XXVQPWXUNJVLCO-NRFANRHFSA-N 378.403 4.389 0 3 GIAF CC1(C)C[C@@H](NC[C@H]2CCCO2)c2cc(C(=O)NC3CCCCC3)ccc2O1 5070363 AJCARHNEZVGCGX-UYAOXDASSA-N 386.536 4.120 0 1 GIAF CN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccsc2)[C@@H]1c1cccs1 6875512 YYPPCBHVBLGAOZ-OALUTQOASA-N 396.537 4.079 0 1 GIAF CCCCCOc1c(Br)cc(CC(=O)O)cc1Br 13643198 DMILDBSUKKQQDG-UHFFFAOYSA-N 380.076 4.408 0 1 GIAF in-vivo O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccnc2)CC1 13782294 ATIVGEAYQNAWRO-UHFFFAOYSA-N 378.303 4.030 0 1 GIAF CCN(CC)C(=O)c1ccc([C@@H](c2cccc(OC)c2)C2CCNCC2)cc1 13803490 WVTALGQYIOJJCG-HSZRJFAPSA-N 380.532 4.309 0 1 GIAF N=C(Nc1cccc(I)c1)NC12CC3CC(CC(C3)C1)C2 13822265 TVIJTHHQQPCCQG-UHFFFAOYSA-N 395.288 4.196 0 1 GIAF Cc1ccc(-c2nc(COc3ccc(C[C@@H](OC(C)C)C(=O)O)cc3)no2)cc1 26470016 JQGIWQISSXIVBM-LJQANCHMSA-N 396.443 4.045 0 1 GIAF S=C(NCC12CC3CC(CC(C3)C1)C2)Nc1ccc(Br)cn1 26650957 URSGBORVHAHPDI-UHFFFAOYSA-N 380.355 4.347 0 1 GIAF COC(=O)c1[nH]cc(-c2ccc(Cl)cc2)c1N1CCN(c2ccccc2)CC1 27848368 HCTAGLNDQZCPCR-UHFFFAOYSA-N 395.890 4.448 0 1 GIAF CC(=O)SCC(=O)c1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 38268161 KURLAXWFPFBZOF-UHFFFAOYSA-N 397.374 4.300 0 1 GIAF CCOC(=O)c1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc(Cl)cc1 40563850 ZQMIXAQPNLJTSY-UHFFFAOYSA-N 398.267 4.362 0 1 GIAF O=c1oc2ccc(Br)cc2cc1CSc1nc2ncccc2[nH]1 40900885 PKQQCYAHKBLYRA-UHFFFAOYSA-N 388.246 4.119 0 1 GIAF CC[C@@H](CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N)c1ccccc1 45201122 PSNGTIQWNUJCAN-IBGZPJMESA-N 383.495 4.281 0 1 GIAF COc1cc(-c2ncnn2-c2ccc(Cl)c(Cl)c2)cc(OC)c1OC 49125376 KDKMFPATLURPLB-UHFFFAOYSA-N 380.231 4.267 0 1 GIAF CC(C)(Oc1ccc(-c2csc(NC(=O)c3ccccc3)n2)cc1)C(=O)O 66252707 NRWMIKKWHOZNAZ-UHFFFAOYSA-N 382.441 4.304 0 1 GIAF COc1cc(OC(F)F)cc2c1nc(C)c1c(C)nc(-c3cccnc3C)n12 73195562 ZHLLRTLCOXWEIS-UHFFFAOYSA-N 384.386 4.480 0 1 GIAF Cc1c(C2=CCNCC2)c2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1 96905424 IVGYYISAORQJID-UHFFFAOYSA-N 386.904 4.217 0 1 GIAF Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccccn2)s1 96927959 CNPUBZBBLBMSAM-UHFFFAOYSA-N 377.469 4.263 0 1 GIAF COc1ccc([C@H]2C[C@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1 103290048 TYRRNKNTRGLDAB-IAGOWNOFSA-N 390.468 4.437 0 1 GIAF O=C1O[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)C(Br)=C1O 103290633 AHAZFWOFYHSMMF-SFHVURJKSA-N 397.228 4.302 0 1 GIAF CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OC)c(OC)c1 103683506 OATNPKVUEWICRA-HQMFNGAOSA-N 379.416 4.165 0 1 GIAF NS(=O)(=O)c1ccccc1-c1ccc2[nH]c(/C=C/c3ccccc3)nc2c1 117144855 TYGHUKPXISIAIZ-JLHYYAGUSA-N 375.453 4.048 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C)cc(F)c3[nH]2)cc1 587042922 NORJMDITFMCULS-KRWDZBQOSA-N 385.464 4.297 0 1 GIAF Nc1ccnc2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc12 587067873 APVYPJAUJLTSKL-UHFFFAOYSA-N 376.807 4.306 0 1 GIAF CN(C)C(=O)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587158683 JVHKGEHPHXABFD-UHFFFAOYSA-N 399.429 4.410 0 1 GIAF CC1(C)[C@H]2C[C@H]1[C@@](C)(O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346805 AJVUKXMVTFSSAH-CPNCHMPNSA-N 396.458 4.446 0 1 GIAF COC(=O)c1cncc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587395930 WHWDYEQRWOBRPQ-OAQYLSRUSA-N 388.423 4.132 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ccc4c(c3)OCO4)n1)O2 587413060 LTZLDSOQWNXBKE-KRWDZBQOSA-N 380.425 4.136 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CC=CC[C@H]1C(=O)O)[C@@H](C2)C3=O 587448260 BUXHQPWDNYQHKV-XMODTWTHSA-N 390.435 4.005 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3C[C@H](C)O[C@H](C)C3)nc1)CC2=O 587480989 XHEHPOQTWMQXOK-LRAJWGHMSA-N 396.487 4.060 0 1 GIAF CC(C)(C)OC(=O)NC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571538 LRDJSQMIZAURPJ-QFBILLFUSA-N 399.443 4.026 0 1 GIAF CCOC(=O)[C@@H]1CCCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596012 MUJWIVBIIPWERZ-XKDCRVNJSA-N 396.439 4.236 0 1 GIAF CN(C)Cc1csc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587612296 JBMDZMFPFUHCMQ-KNQAVFIVSA-N 395.480 4.392 0 1 GIAF C[C@@]1(c2nc3c(s2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617002 IQBKWCJZZIUPBN-DYESRHJHSA-N 379.437 4.214 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3c2cnn3C)N1 587755877 BDMGHZYZAOVAIB-JEOXALJRSA-N 388.284 4.273 0 1 GIAF CCOCCOCc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587779219 VZCFAKJJDRVHAB-UHFFFAOYSA-N 385.302 4.303 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccccc2O)N1 587830224 CCNPHISUHWGPML-NSPYISDASA-N 392.268 4.316 0 1 GIAF COC(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587847542 LGTIFYWKCHPAPH-VVVCHXIZSA-N 398.297 4.234 0 1 GIAF COc1cccc(-c2cc(O)cc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2)c1 587933875 XZHGVDYXQQOEMH-UHFFFAOYSA-N 385.423 4.496 0 1 GIAF CCn1cc(-c2csc(N)n2)c(=O)c2cc(N3CCCCC3)c(Cl)cc21 653916399 PWOYJCXTMKSDNJ-UHFFFAOYSA-N 388.924 4.371 0 1 GIAF CCOC(=O)C[C@]1(C2CCCCC2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962637236 WAIDWLPKNKDPJN-HJPURHCSSA-N 389.536 4.309 0 1 GIAF Fc1ccc(F)c([C@@]2(CC3OCCO3)c3c(F)cccc3C[C@@H]3CCCN32)c1 963116316 WLZXJHUHEJQJMO-AOMKIAJQSA-N 389.417 4.131 0 1 GIAF COc1cc(-c2nnc3ccc(-c4ccc(Cl)cc4)nn23)cc(OC)c1OC 1772641353 VBCZJOJIQPEFHO-UHFFFAOYSA-N 396.834 4.138 0 1 GIAF c1ccc(OCCNCC[C@H]2COC(c3ccccc3)(c3ccccc3)O2)cc1 1857580303 YTSPXKNHGROQEX-DEOSSOPVSA-N 389.495 4.362 0 1 GIAF CC=C[C@@H]1C[C@@H]1C1=C(Br)[C@@H]2O[C@H](C=C=CBr)C[C@H]2O1 2356585848 DSVLSFOHBJOXOY-HUSXLSIOSA-N 388.099 4.425 0 1 GIAF C[C@]1(C(=O)Nc2cccnc2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61895789 QSFKRIWJSDXRER-HXUWFJFHSA-N 399.372 4.495 0 3 GIAF Cc1ccccc1-n1c(SCc2ccc(Cl)cc2)nc2[nH]ncc2c1=O 5156340 OVAOPLLQDNZQCK-UHFFFAOYSA-N 382.876 4.363 0 1 GIAF O=c1ccc(-c2ccc3c(c2)ncn3-c2ccccc2)cn1CCN1CCCCC1 13536082 STVCOQYKEITJLP-UHFFFAOYSA-N 398.510 4.340 0 1 GIAF C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cccc1Cl 28820574 HQGRCFOENHIIQG-NSHDSACASA-N 383.300 4.384 0 1 GIAF Cn1c(=O)c(Oc2ccc(F)cc2)cc2cnnc(-c3ccc(F)cc3F)c21 64436759 XKYIEQWPRUSOEZ-UHFFFAOYSA-N 383.329 4.205 0 1 GIAF COc1ccc(-c2nccs2)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c1 64553884 PKRIQTUCLBARHO-UHFFFAOYSA-N 385.441 4.076 0 1 GIAF CCOC(=O)[C@@H]1CCCCN1Cc1coc(-c2ccccc2Br)n1 72101264 KZKAYYDAEOWQGY-INIZCTEOSA-N 393.281 4.022 0 1 GIAF O[C@](c1ccc(Cl)cc1)(c1ccc(Br)cc1)c1cncnc1 72185276 KVSLNFFVXSOUCT-KRWDZBQOSA-N 375.653 4.177 0 1 GIAF O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccccc1 95894130 ZHPMKBYOCIZHEW-KMDXXIMOSA-N 399.494 4.068 0 1 GIAF Cc1nccc2c1[nH]c1cc(OC(=O)[C@@]34CC[C@](C)(C(=O)O3)C4(C)C)ccc12 100875240 SHFXXVQXMDMYSM-FGZHOGPDSA-N 378.428 4.052 0 1 GIAF O=C1[C@@H]2[C@@H](C(=O)N1c1ccncc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 137570940 IBXQASRNSVVFOE-MLCQCVOFSA-N 380.447 4.325 0 1 GIAF C[C@H](c1cccc2ncccc12)N1CCC(C(=O)NCc2cccc(F)c2)CC1 169312126 ZMXMWLATCGSMKP-QGZVFWFLSA-N 391.490 4.463 0 1 GIAF Cc1cc(N[C@H](C)C(=O)Nc2ccccc2)nc(NCCc2ccc(F)cc2)n1 206776529 SVBQCRQTSVUYHS-MRXNPFEDSA-N 393.466 4.018 0 1 GIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCC(N5CCCCC5)CC4)[C@@H]3C=C12 504506819 QAWLQHTXXUNGCV-PLRSXRBSSA-N 398.591 4.171 0 1 GIAF biogenic O=S(=O)(c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1)C(F)(F)F 586888149 WRGKWJOMKKWZII-KBXCAEBGSA-N 392.402 4.228 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(ccc4nc(C)ccc43)[nH]2)cc1 586940328 ZZXRKEOEWGWPEH-CYBMUJFWSA-N 394.500 4.163 0 1 GIAF Cc1cc(Br)cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 586996194 AXLWTXBADKMDES-CQSZACIVSA-N 396.082 4.478 0 1 GIAF Fc1cc2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2cc1Br 587091159 GANYAUAUJGWJPB-UHFFFAOYSA-N 390.134 4.468 0 1 GIAF FC(F)(F)c1ccc2ncc(-c3nc4nc(Br)c[nH]c-4n3)cc2c1 587113097 RMGSQVJJUJEFBY-UHFFFAOYSA-N 394.154 4.301 0 1 GIAF FC(F)c1c(-c2nc3cc(Br)cc(Cl)c3[nH]2)cnc2ncnn12 587128308 KOHQRMGZJKAUNH-UHFFFAOYSA-N 399.586 4.021 0 1 GIAF CCOC(=O)c1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167244 JFGAVSUQHBAGRJ-GOSISDBHSA-N 396.422 4.248 0 1 GIAF Nc1c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)ccc2ccccc12 587253809 QQTGZDZMHYGZDT-UHFFFAOYSA-N 382.427 4.025 0 1 GIAF CCCC[C@@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353966 SHLYCTCYQOMQDJ-IRLDBZIGSA-N 386.419 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3cccn3)c(Br)c1)O2 587376008 GLZJTAJTRBGTII-SFHVURJKSA-N 398.260 4.232 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(I)c(F)c1)O2 587387376 QUJSKYCLLABYFY-HNNXBMFYSA-N 397.187 4.027 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN(Cc4ccccc4)C[C@H]3C1)O2 587397932 COQZODUVQWTJAL-KHCICDEESA-N 376.500 4.213 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)c(Br)c1)[C@@H](C2)C3=O 587411522 CXHKPOCGEYFSLY-ORAYPTAESA-N 388.261 4.012 0 1 GIAF COc1cc2c(cc1OC)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)CC(C)(C)O2 587411855 KXNLANLWHWMZMS-JOCHJYFZSA-N 383.444 4.016 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccccc3OC)c1)CC2=O 587475725 OGMCBVVZVUTLKC-OAQYLSRUSA-N 378.428 4.246 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(CCOC)nc1C)CC2=O 587492043 AHOYJGXLYRYCDH-HXUWFJFHSA-N 375.490 4.179 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@H](C)C(=O)OCC)CC2=O 587493801 HYKUQLKGZDZXSD-LRTDBIEQSA-N 388.485 4.466 0 1 GIAF Cc1cnc(Cl)nc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551897 KXOURISQKQZJJI-QRWLVFNGSA-N 382.803 4.021 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccccc2)c1 587583683 WOMMXTFRNJFZMZ-NZQKXSOJSA-N 384.391 4.281 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc3c2OCOC3)N1 587734044 QDDACIZYRJSMNQ-HUTHGQBESA-N 396.231 4.217 0 1 GIAF CC(=O)Nc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587741189 GGUOFRAIYLBZLF-XTZNXHDOSA-N 377.257 4.170 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2ccccn2)N1 587772504 OCUCFZSVBBWZJJ-ZUOKHONESA-N 398.279 4.204 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)[nH]c3ccccc23)N1 587803335 PDZJEWAYHHDMOT-HUTHGQBESA-N 375.241 4.399 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc(O)cc32)N1 587834117 QYWBPWKMVRVRIY-JEOXALJRSA-N 376.269 4.408 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(Br)n1 587867448 ZNVXHSUYJZIZMN-UHFFFAOYSA-N 399.170 4.119 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cl)cc1 587867624 BCPOWWJCPQHUMV-UHFFFAOYSA-N 381.741 4.314 0 1 GIAF COc1ccc(-c2cc(NC(=O)N=c3cc[nH]cc3)cc(C(F)(F)F)c2)cn1 653687967 ABNDZZGDDVOZLX-UHFFFAOYSA-N 388.349 4.237 0 1 GIAF CCc1cc(OC)ccc1[C@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962691238 BTFROWWXZRXADL-QZTJIDSGSA-N 397.368 4.104 0 1 GIAF CCOC(=O)CC[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963607781 KGQQSMADORILPS-XDHUDOTRSA-N 397.515 4.019 0 1 GIAF CCc1cc(C(=O)O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)nn12 1772634762 WATJRODZCIKBCB-UHFFFAOYSA-N 380.835 4.160 0 1 GIAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2C1CCCCC1 1911574971 SGAKIWWIXCSVOB-UHFFFAOYSA-N 378.358 4.120 0 1 GIAF CC=C(C)C(=O)OCC1=C[C@H](O)[C@@H](C(C)C)[C@@H](OC(C)=O)CC(C)=CCC1 2356574312 VGTTVAAIDFWDEA-PCCBWWKXSA-N 378.509 4.117 0 1 GIAF CN(C)c1cccc(NC(=O)[C@H]2Cc3c(-c4ccc(Cl)cc4)ccnc3O2)c1 61904687 XVIKQSUDTCEPIB-HXUWFJFHSA-N 393.874 4.410 0 3 GIAF CN(C)CCNc1cc(-c2cccc(C(F)(F)F)c2)nc(-c2ccncc2)n1 1498812 YWUGWDGANZWNBD-UHFFFAOYSA-N 387.409 4.198 0 1 GIAF COc1ccc2[nH]cc(CCNc3ncncc3-c3ccc(N(C)C)cc3)c2c1 4258543 DBGGBZZVFXIECK-UHFFFAOYSA-N 387.487 4.354 0 1 GIAF C=Cc1ccc(C(=O)NC[C@H]2Cc3cc(-c4cncnc4)cc(Cl)c3O2)cc1 11782900 VBDFXJJJIWAXHA-LJQANCHMSA-N 391.858 4.174 0 1 GIAF CNCCCN1C(=O)CS[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 13781669 XHQACDRSGQESLC-IBGZPJMESA-N 378.582 4.171 0 1 GIAF CC1CCC(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)N2C2CCCCC2)CC1 20387589 SLDAKEJPTZONTE-VWLBVBLESA-N 382.548 4.471 0 1 GIAF CCCc1c(OCc2ccc(C(=O)O)cc2)ccc(C(=O)C(F)(F)F)c1O 27903138 WYQGVFGWNPUEOP-UHFFFAOYSA-N 382.334 4.367 0 1 GIAF CN(C)CCC[C@@H](O)[C@@]12CCC[C@@H]3C[C@@](OCc4ccccc4)(CC[C@@]31C)O2 29547988 XMSDBHLEKDPJQE-SJSRKZJXSA-N 387.564 4.362 0 1 GIAF Cc1cccc(CNc2ncc(C)c(NCCC(=O)Nc3ccccc3)n2)c1 45187676 ZCAHXGYNYYQWCX-UHFFFAOYSA-N 375.476 4.146 0 1 GIAF C[C@H]1CC[C@H](C)N1Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O 49048567 UMJOOJXWGPXRLE-GJZGRUSLSA-N 384.483 4.310 0 1 GIAF Cc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)OCCC3CCCCC3)co2)cc1 82070823 XIVFUFVQXVIEPD-INIZCTEOSA-N 384.476 4.282 0 1 GIAF OC[C@@H]1Nc2ccc(C3=CCCCC3)cc2[C@@H]2[C@H]1CCN2Cc1nccs1 95794543 SYVSEKGIVOVJGW-XJABCFGWSA-N 381.545 4.450 0 1 GIAF CC(=O)N1c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2[C@H](N)C[C@@H]1C 117389977 PUNVKJCIBZPRIL-GAJHUEQPSA-N 377.532 4.484 0 1 GIAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc2ccccc2c1 117587882 NOIMYESEJNLMKI-UHFFFAOYSA-N 375.472 4.351 0 1 GIAF O=C(Nc1cc[nH]c(=O)c1)c1cc(OC(F)(F)F)ccc1OCC1CCCC1 143164050 CUVYLUQYLWTAQS-UHFFFAOYSA-N 396.365 4.095 0 1 GIAF CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)[nH]2)cc1 147402371 JCARBOHBFYSHSE-UHFFFAOYSA-N 382.489 4.218 0 1 GIAF O=C(c1ccc(F)cc1)N1CCc2ncc(COc3ccc(F)cc3)cc2C1 169326809 LOMPCLUTYIJQDZ-UHFFFAOYSA-N 380.394 4.137 0 1 GIAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@H]1c1ccc(C)cc1 198496983 JOAXJGDCRUOOCX-VABKMULXSA-N 382.552 4.393 0 1 GIAF CCCCOC(=O)C(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@H](O)C[C@@H]21 223582771 JCDBXTYJLBHCTL-GVDBMIGSSA-N 390.520 4.429 0 1 GIAF COc1nccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc12 587144642 MGKPXURJIYSORO-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(C)cnc3[nH]2)c1 587147589 VGLCETGTZQRNNK-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF Fc1cc2c(c(Cc3nc4ccc(F)c(Br)c4[nH]3)c1)OCOC2 587172203 ZKXSTJBHXVIUEJ-UHFFFAOYSA-N 381.176 4.061 0 1 GIAF COc1cccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587183299 XCBCGWBPQPKOEG-UHFFFAOYSA-N 384.604 4.497 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2([C@H]3CCO[C@H]3C23CCC3)[C@H]1c1ccc(F)cc1 587355179 CPGQLYZFDJXXBV-VARILPKDSA-N 380.415 4.218 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cccc1I)O2 587387762 WLYLFQGCCHQKDA-CQSZACIVSA-N 397.187 4.027 0 1 GIAF Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 587410668 VOYRHIDGOJYTQU-IFMALSPDSA-N 399.512 4.006 0 1 GIAF COc1ccc(F)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587556801 KFZRYRKTUCAIQQ-SIKLNZKXSA-N 380.371 4.417 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1ccc(F)cc12 587570203 NKAPAFUBZPZUKN-SIKLNZKXSA-N 378.355 4.171 0 1 GIAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 587580512 IJNJHZIRPDHZED-YKSBVNFPSA-N 398.418 4.496 0 1 GIAF O=C(O)CC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601371 CZQKPHRNIUIWJW-OFNKIYASSA-N 390.391 4.114 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(C(F)(F)F)nn1 587658563 OYCLJUUNCQREBK-UHFFFAOYSA-N 386.308 4.001 0 1 GIAF Cc1c(C(F)(F)F)n[nH]c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587718544 ISNMCLVYPTYURX-IYQDAUBNSA-N 392.194 4.262 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C2(C)CC2)(C(F)F)N1 587723078 VGEJSIJYOSIVMT-XLFHBGCDSA-N 390.243 4.342 0 1 GIAF Cc1ccn2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)nc2c1 587775893 URZGEMFPBAFXDA-ZMZPIMSZSA-N 388.284 4.476 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C(=O)O)C(C)(C)C2)N1 587825188 GJEASGVMHLCINF-AJLCLMPTSA-N 384.289 4.229 0 1 GIAF COc1cccc(-c2cc(O)n([C@H](COc3cc(F)cc(F)c3)N=O)c2O)c1 587945704 POQGBAQSGQJEPV-QGZVFWFLSA-N 390.342 4.197 0 1 GIAF COc1ccc(-c2cnc3c(NC(=O)C4CC=CC4)snc3c2)cc1OC 653766945 LDPNMAIOXQBSCJ-UHFFFAOYSA-N 381.457 4.280 0 1 GIAF CCOc1ccc([C@]2(c3cccc(OC)n3)NCCc3ccc(F)c(C)c32)cc1 962095099 VHFVXVCVFYXMEO-XMMPIXPASA-N 392.474 4.374 0 1 GIAF Cc1ccc2cc([C@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)c(Cl)nc2c1 963025088 JLJLIUZJRWMXCD-QKKBWIMNSA-N 377.875 4.339 0 1 GIAF C[C@H]([C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356628348 PGZROPJTNZDXFV-PUTBFQSASA-N 390.656 4.496 0 1 GIAF COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2Cc2ccc(SC)cc2)c1 61903533 PMEHKIXMFNGMBJ-NRFANRHFSA-N 386.517 4.029 0 3 GIAF COP(=O)(/C=C/[C@@H](NC(=O)C(Cl)(Cl)Cl)c1ccccc1)OC 1863478 HNQAAPCNCAGSJB-ANYFNZRUSA-N 386.599 4.214 0 1 GIAF Cc1ccnc(NC(=O)Nc2sc3nc4n(c(=O)c3c2C)CC[C@@H](C)CC4)c1 6750157 ARPGERGORJACRS-NSHDSACASA-N 397.504 4.086 0 1 GIAF CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(-c2ccc(C)cc2)n1 13445189 FYHYDFKZKZBZLM-UHFFFAOYSA-N 388.431 4.296 0 1 GIAF O=C(c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cncn1)c1ccccc1Cl 26008458 IGWVISJZEUVEJX-QGZVFWFLSA-N 396.661 4.009 0 1 GIAF O=C(NCCCCCCCCn1ccnc1)c1ccc(Br)cc1 27618058 RMRSEXMWDCPMHY-UHFFFAOYSA-N 378.314 4.416 0 1 GIAF CC1(C)Nc2c(ccc(C(=O)c3ccccc3)c2O)O[C@H]1NC1CCCCC1 28124876 GEHRLGHKOBKLQB-JOCHJYFZSA-N 380.488 4.455 0 1 GIAF C/C=C(\C)CC/C=C(/C)CC/C=C(\C)CC(P(=O)(O)O)P(=O)(O)O 29124393 FSUZEAXZFSJOQK-KOHFROQFSA-N 380.358 4.477 0 1 GIAF COc1ccc2[nH]c3c(c2c1)[C@@H]1CCN(C1)[C@@H]3C(=O)O[C@H](C)c1ccccc1 40781689 QOYBOGLFRNMXIM-YGHRGLEHSA-N 376.456 4.325 0 1 GIAF CC(=O)Nc1cccc(Oc2cncc(NC[C@]3(C)C[C@H](O)CC(C)(C)C3)n2)c1 82068884 LQLVJCXEJNOANE-VGOFRKELSA-N 398.507 4.217 0 1 GIAF Cc1cccc(-c2csc(N3CCC[C@H]3C(=O)NCc3ccccc3)n2)c1 82192030 KGRBPABGJOVDGI-FQEVSTJZSA-N 377.513 4.404 0 1 GIAF [O-][N+]1=N[C@@H]2C[C@H]1[C@H]1[C@@H]2[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 103282638 VYPDNJFWSQKSHQ-DPSYREKSSA-N 382.889 4.181 0 1 GIAF Nc1cnc(Sc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)cn1 224774848 IAICLLPTISZHLH-UHFFFAOYSA-N 390.447 4.055 0 1 GIAF N[C@H](Cc1cscn1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587028872 APYUXIGQASWLAQ-SECBINFHSA-N 391.216 4.043 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)C(F)(F)F)n1 587094745 UUQXEAXOOFFCIP-LBPRGKRZSA-N 397.209 4.022 0 1 GIAF CN(C)c1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)nc1 587194535 IOSRANQBXLLBFE-UHFFFAOYSA-N 396.086 4.216 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1I)O2 587385633 DVMQAXGAVXUVDB-KRWDZBQOSA-N 393.224 4.062 0 1 GIAF COc1cc2c3c(c1)O[C@@](COCC(F)(F)F)(c1ccc(C)cc1)[C@@H](C2)C3=O 587422877 VQEQNNTVKQVRRE-JXFKEZNVSA-N 392.373 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C[C@H](C)N(Cc4ccccc4)[C@H](C)C1)[C@@H](C2)C3=O 587436605 SBHGPINXSZKKGK-ZFLJKGDWSA-N 377.484 4.254 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@@H](C)C(=O)OCC)CC2=O 587493803 HYKUQLKGZDZXSD-ZSEKCTLFSA-N 388.485 4.466 0 1 GIAF CC(C)(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587588341 SUXBDYHJNSKCRP-XLIONFOSSA-N 376.412 4.183 0 1 GIAF COc1ncc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587702427 ZLUUIUYSHFJWJY-VVVCHXIZSA-N 399.691 4.443 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ncco2)N1 587775576 SAWAXWOMAUCWPE-BLVKFPJESA-N 387.252 4.402 0 1 GIAF COCCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587794001 NSOBLJCXYVDGMK-CWTRNNRKSA-N 394.284 4.237 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C[C@H](C(=O)O)C2(C)C)N1 587831228 WNZBXFSZVLHJRV-OYQFQUMDSA-N 384.289 4.085 0 1 GIAF CCOC(=O)c1cnc(Cl)cc1-n1nc(-c2cccc(F)c2)cc1OCC 587870929 LNWQBRDISZQJJU-UHFFFAOYSA-N 389.814 4.302 0 1 GIAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1cc(OC)cc(OC)c1 653700467 BQVBAMDPSGXQKE-UHFFFAOYSA-N 376.412 4.042 0 1 GIAF COc1ccc(-c2cc([C@H]3c4cc(OC)c(OC)cc4C[C@@H](C)N3C)on2)cc1 962641840 XUUFSXRXCYXVOS-QKFKETGDSA-N 394.471 4.333 0 1 GIAF Cc1ccc([C@]2(c3ccccc3Cl)NCCc3c2c(C(C)C)nn3C)cn1 962918481 IZDFTDHNQZPBRY-JOCHJYFZSA-N 380.923 4.338 0 1 GIAF CC1=C[C@]2(NCCc3c2sc(C)c3C)c2cc(Cl)ccc2N1CC(=O)O 963016454 KYAKQWFMZMCKDY-FQEVSTJZSA-N 388.920 4.216 0 1 GIAF Cc1c(-c2ccc3ccn(Cc4ccc(CN5CCCC5)cc4)c3c2)[nH][nH]c1=N 1857566078 ZDGOCXHBIYVIMD-UHFFFAOYSA-N 385.515 4.396 0 1 GIAF CC(=O)N1c2ccccc2N(Cc2ccc(Cl)cc2C(=O)O)C[C@@H]1C1CC1 1857763020 RUGQHKBOIJUHMT-HXUWFJFHSA-N 384.863 4.190 0 1 GIAF CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3cccnc3SC)C2)cc1 12747663 KMOMXAJFPXSNMX-HNNXBMFYSA-N 386.542 4.261 0 3 GIAF CC(C)(C)OC(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccc(Br)cc1 36387555 YHHXKKVGDFLCDH-CYBMUJFWSA-N 386.286 4.357 0 3 GIAF Cc1ccc(NC(=O)[C@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CC2)cc1 61905425 IVCJMHRODGVOKD-NRFANRHFSA-N 382.891 4.310 0 3 GIAF C[C@@]1(C(=O)NCc2cccc(Cl)c2)Cc2c(-c3ccccc3)ccnc2O1 61907652 PLZSFVMYLSZYLS-QFIPXVFZSA-N 378.859 4.412 0 3 GIAF CC1(C)C[C@H](NC[C@H]2CCCO2)c2cc(C(=O)NC3CCCCC3)ccc2O1 5070360 AJCARHNEZVGCGX-QUCCMNQESA-N 386.536 4.120 0 1 GIAF CC[C@H]1CN(CC(F)(F)F)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1 14967327 IQQRIPUVKLNOMK-QMMMGPOBSA-N 380.288 4.087 0 1 GIAF Cc1ccc(C(c2ccccc2)c2ccccc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26837186 ZYOUITAWBXBZCC-FGZHOGPDSA-N 389.495 4.433 0 1 GIAF CO[C@H](Cc1scnc1C(=O)Nc1nccs1)c1ccccc1Cl 28462046 GTZFJTVJYAUUHN-GFCCVEGCSA-N 379.894 4.436 0 1 GIAF CN(CCOc1ccc(-c2ccccc2)cc1Cc1ccccc1)CC(=O)O 28958317 WDUYZBHEBAZLNL-UHFFFAOYSA-N 375.468 4.340 0 1 GIAF COc1ccc2c(c1OC)OC1=C(C(=O)OC1)[C@H]2c1cc(Cl)cc(Cl)c1 40410083 YQBPHZNHEHYDHX-HNNXBMFYSA-N 393.222 4.346 0 1 GIAF CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)cc1 43152395 YYCDRZDDLBLWPS-UHFFFAOYSA-N 394.490 4.309 0 1 GIAF CCCCNc1nc(NCCc2ccc(O)cc2)nc2cc(OC)c(OC)cc12 82129212 IPACBRWONUEKHZ-UHFFFAOYSA-N 396.491 4.219 0 1 GIAF CCN(C(=O)[C@@H](C)Sc1ccc(-c2ccccc2)nn1)c1nc(C)cs1 84654845 RWSYSAAVXLHINN-CQSZACIVSA-N 384.530 4.442 0 1 GIAF Cc1csc(-n2ccc3nnn([C@@H](C)c4ccc5ncccc5c4)c3c2=O)c1 84669944 JNNIYZXJZPEHOP-AWEZNQCLSA-N 387.468 4.110 0 1 GIAF O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)OCCN1CCCCC1 101489989 BDNLUVYZRWCVLO-XYCLOBBJSA-N 384.358 4.140 0 1 GIAF O=c1cc(N2CCOCC2)oc2c(-c3ccc(C(F)(F)F)cc3)csc12 101661779 XXXMPBRVPSWHPV-UHFFFAOYSA-N 381.375 4.377 0 1 GIAF C[C@]1(COc2ccc(-c3ccc(F)cc3)cc2)CCn2cc([N+](=O)[O-])nc2O1 115603038 IQJFYFAKNUOHAE-HXUWFJFHSA-N 383.379 4.218 0 1 GIAF Cc1ccccc1CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)O)cc1 115732072 KLOPYFIVFGFGIW-UHFFFAOYSA-N 395.480 4.084 0 1 GIAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 117586075 TVTJCIOUBKLDKF-UHFFFAOYSA-N 398.894 4.332 0 1 GIAF CCOCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O 253638738 ULAOQWBWDVCIMV-HYVNUMGLSA-N 376.518 4.465 0 1 GIAF C[C@]12CC[C@@H]3[C@H]4CC[C@@](C)(O)C[C@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Cn1ccnc1 299851364 FQDQLHDSVITISC-DZXZBOGNSA-N 384.564 4.472 0 1 GIAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586984992 XAUIPXMJSCEETK-JTQLQIEISA-N 386.627 4.500 0 1 GIAF Cc1c(Br)cnc2[nH]c(Cc3csc(-c4ccco4)n3)nc12 587016651 AMIVFKYGEKDGJD-UHFFFAOYSA-N 375.251 4.336 0 1 GIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)cs1 587018841 BHCRXNFVBIILGU-UHFFFAOYSA-N 384.383 4.375 0 1 GIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Cl)ncnc3[nH]2)c(F)c1 587144535 KPUDGQLKBNUCQN-UHFFFAOYSA-N 382.782 4.486 0 1 GIAF Brc1nccc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587230347 SRCWIJQOQALFDH-UHFFFAOYSA-N 380.249 4.395 0 1 GIAF Cc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2c1 587238616 FEFSTQGWXFGHSD-UZSYQUHHSA-N 385.508 4.426 0 1 GIAF CCO/C=C/[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328734 KECFZHIKYAZGJT-KQLHMXSUSA-N 378.346 4.444 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cc(F)c(F)c1F)O2 587381011 DZHZZTAYAJINJH-GFCCVEGCSA-N 386.167 4.464 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cnc1OC)CC2=O 587459933 QYGZJONALCXRGZ-INIZCTEOSA-N 392.249 4.217 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)O)n(C)c3ccccc13)CC2=O 587471530 SVPKHPKGQBSPTD-SFHVURJKSA-N 379.412 4.241 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCC(CO)CC3)cc1)CC2=O 587476494 UWBCWIQJYCGTKW-HSZRJFAPSA-N 395.499 4.260 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccn(Cc2ccccc2)n1 587581438 LFSMFZNWJHVWMS-URXFXBBRSA-N 398.418 4.340 0 1 GIAF COCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598377 UJBBKSFSQJNCOD-NFBKMPQASA-N 376.408 4.286 0 1 GIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncc2ccccc2n1 587657375 UZWMZIFYHJWLPN-UHFFFAOYSA-N 386.361 4.274 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccnc(C(F)(F)F)n1 587658332 LTALZBMWAPDRIY-UHFFFAOYSA-N 386.308 4.001 0 1 GIAF COc1c(F)cc(F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587722134 QZYIONQIZJQARZ-VPTHRUTESA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3ccc(F)cc32)N1 587727784 DJGGFKIHBQOZAK-YPMLDQLKSA-N 380.232 4.288 0 1 GIAF COc1cc(F)c2c(c1)CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587738149 KJJIXIWNJCLEQI-OVWNDWIMSA-N 394.259 4.460 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(NC(=O)OC(C)(C)C)C2)N1 587739604 BKSRQGLBLHNMQR-LRWYKZPYSA-N 399.304 4.005 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(c3ccccc3)C2)N1 587766690 HLDIYIDVULIYMR-BFUOFWGJSA-N 375.285 4.228 0 1 GIAF CCCN(CCC)C(=O)c1cc2c(C(=O)OCC)ncn2c2ccc(F)cc12 653833228 KQWRZZDCZHTVPT-UHFFFAOYSA-N 385.439 4.066 0 1 GIAF COc1ccc2c(c1)C=C([C@@]1(C)c3c(ccc(OC)c3OC)C[C@H](C)N1C)CO2 962564536 HDISOICWLNDDMB-OWJWWREXSA-N 395.499 4.280 0 1 GIAF C[C@]1(c2cccc(OCC(=O)O)c2)c2ccsc2CCN1Cc1ccco1 962714080 QDCJMVKIECEIFW-NRFANRHFSA-N 383.469 4.126 0 1 GIAF C=C(Br)C(=O)Nc1ccc2c(c1)/C(=C/c1ccc(C)s1)C(=O)N2 1772583823 MRGTZMXGNZVRQB-ZSOIEALJSA-N 389.274 4.396 0 1 GIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(Nc3ccc(F)nc3)c2cn1)c1ccccc1 1772606681 ZBPFVDHGUBHKOE-GFCCVEGCSA-N 391.410 4.118 0 1 GIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(C)=O)cc21 1857595345 OWESTHMDYXUCHI-UHFFFAOYSA-N 385.467 4.299 0 1 GIAF CCCN1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccc(F)cc1F 1911577136 FWRCLGAZLSVVCN-SFHVURJKSA-N 395.247 4.481 0 1 GIAF O=c1c2cc(-c3ccnc4[nH]ccc34)sc2ncn1Cc1cccc(F)c1 1911581643 RCNSYAHCVQPUFD-UHFFFAOYSA-N 376.416 4.189 0 1 GIAF CC1=C[C@H](CNCCN(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356322295 OEOHUZDXIRKCGR-BDTNDASRSA-N 396.579 4.285 0 1 GIAF CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC[C@@H](O)CC)cc1 775100 CONAAZYBIALGFD-HNNXBMFYSA-N 398.434 4.047 0 1 GIAF COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(C(C)C)cc1 4049646 XFVUZASLEVJHSY-IRLDBZIGSA-N 380.488 4.055 0 1 GIAF COc1cc2c(cc1OCc1ccccc1)NC(=S)[C@@H]1CCCN1C2=S 6483796 ZZPCWQQZSSIIHK-INIZCTEOSA-N 384.526 4.167 0 1 GIAF CC(C)(C)c1ccc(-c2noc(-c3ccc(CN4CC(C(=O)O)C4)cc3)n2)cc1 13673878 OXYHNSKNRIYKDI-UHFFFAOYSA-N 391.471 4.218 0 1 GIAF CC(C)NC[C@H](O)COc1ccc2c(=O)c(-c3ccccc3)c(C(C)C)oc2c1 27102922 POFVXWJUSFTAKH-SFHVURJKSA-N 395.499 4.321 0 1 GIAF CC(C)c1ccc2oc(N[C@@H](Cc3ccc(F)cc3)C3=CN(C)NO3)nc2c1 28020348 QHPVFRZERFDNLM-KRWDZBQOSA-N 382.439 4.337 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)N(C(=O)NC(C)C)CC2 40848528 WZAZJEIJHYJHJH-HXUWFJFHSA-N 388.895 4.423 0 1 GIAF O=c1c(-c2nnc(S)n2-c2ccccc2)c[nH]c2c(C(F)(F)F)cccc12 45283612 RKFYUVPEDWEJJX-UHFFFAOYSA-N 388.374 4.083 0 1 GIAF COc1cc(O)c2c(c1Cc1ccccc1O)O[C@@H](c1ccc(O)cc1)CC2=O 71340537 BOEWXOMRJRXFIU-HXUWFJFHSA-N 392.407 4.109 0 1 GIAF biogenic O=C1Nc2ccccc2[C@H]1CCCCN1CCN(c2ccc(Cl)cc2)CC1 95541575 JAOXKCOCADFHNG-HXUWFJFHSA-N 383.923 4.368 0 1 GIAF Cc1cc(F)cc(C)c1N1CCN(Cc2ccc(Cl)cc2Cl)C(=O)C1=O 95565721 MVSZQOCDPARYJV-UHFFFAOYSA-N 395.261 4.125 0 1 GIAF O=C(Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12)c1ccncc1 95583086 JAQCCCWUMSQYML-UHFFFAOYSA-N 392.422 4.130 0 1 GIAF COc1ccc(/N=c2\oc3c(O)cccc3cc2C(=O)Nc2ccccn2)cc1 96286186 ZKNWQBUIILUEBV-GYHWCHFESA-N 387.395 4.027 0 1 GIAF COc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3ccccc3F)cc2)c1 100108171 CUQPRTZJLUEGSO-LNWKWYTESA-N 388.486 4.441 0 1 GIAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cccc(C)c3C)CC2)o1 103291351 KKHDAMRAKLGWNX-UHFFFAOYSA-N 375.472 4.229 0 1 GIAF CCCCN(c1sc2ccccc2c1Br)S(=O)(=O)N(C)C 115231885 IASKDFCPGVMDRV-UHFFFAOYSA-N 391.356 4.077 0 1 GIAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1ccccc1F 118858998 PWLRRJAFPMHNQH-MJGOQNOKSA-N 381.495 4.449 0 1 GIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2ccc(-n3cccc3)cc2)n1 142071071 QKEFSEHNRHABOP-VQIMIIECSA-N 391.475 4.422 0 1 GIAF C[C@H](Nc1nccc(N2CCOC2=O)n1)c1ccc(Oc2ccccc2)cc1 142122549 DGHSSLQBBFEYBG-HNNXBMFYSA-N 376.416 4.399 0 1 GIAF Cc1cc(C(=O)O)c2c(c1)nc(-c1ccc(-c3ccc(O)cc3)cc1)n2CCO 144707781 HHQIASAQIMOWIO-UHFFFAOYSA-N 388.423 4.075 0 1 GIAF CCC(=O)N[C@H]1CCCc2c(-c3cc4c(cc3Cl)N(C)C(=O)CC4)cncc21 205022512 RESAQABNYJJGKY-IBGZPJMESA-N 397.906 4.215 0 1 GIAF O=C(O)[C@@H](CC(=O)C1(S)CCCCC1)Cc1ccc(Br)cc1 219763448 PSCVHSQFNDCQCN-CYBMUJFWSA-N 385.323 4.284 0 1 GIAF CCOC(=O)Cc1nc2ccc(O)c3c2c(c1C(C)C)-c1ccccc1C3=O 586989626 MOBQWXHNXMCPKS-UHFFFAOYSA-N 375.424 4.381 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587043015 OOQMMMZCBYJKDW-GOSISDBHSA-N 395.532 4.014 0 1 GIAF O=C(Cc1ccc(Cl)cc1)c1nc2c(C(=O)O)cc(Br)cc2[nH]1 587070951 IQIYCIXYTVKSBL-UHFFFAOYSA-N 393.624 4.102 0 1 GIAF CCCOc1cc2nc(-c3cc(CO)ccc3F)[nH]c2cc1Br 587141049 VQNPHJNGQIVAPE-UHFFFAOYSA-N 379.229 4.413 0 1 GIAF COc1ccc(C(=O)c2ccccc2-c2nc3cnc(Cl)[nH]c-3n2)cc1F 587144579 OHSFKYPYYJEESJ-UHFFFAOYSA-N 382.782 4.004 0 1 GIAF Fc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)cc1F 587145968 XVTWJBRCUKMXLS-UHFFFAOYSA-N 391.546 4.161 0 1 GIAF CC(C)(C)OC(=O)N[C@H](c1nc2cncc(Br)c2[nH]1)C1CCCC1 587225253 JTJVEOLHCGRWQG-ZDUSSCGKSA-N 395.301 4.476 0 1 GIAF CCCOc1cc2[nH]c(-c3ccc(NC(N)=O)cc3)nc2cc1Br 587243409 KJXJKSAIRKGFBH-UHFFFAOYSA-N 389.253 4.272 0 1 GIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(Cl)c(F)cc3[nH]2)cc1 587245670 WUNLJBPCXTYNEH-UHFFFAOYSA-N 384.798 4.495 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3c(C)cc(Br)cn13)O2 587372441 LJCDPTAIIACTDK-INIZCTEOSA-N 386.249 4.002 0 1 GIAF COC(C)(Cc1cccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1F)OC 587386190 UBUNXZHOLWTLNV-NRFANRHFSA-N 387.451 4.148 0 1 GIAF CCCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587401360 WHAKOQFUNHUBJO-JOCHJYFZSA-N 383.444 4.092 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(Nc3cccnc3)nc1C)O2 587411682 FREPWJGMYVZZGZ-HXUWFJFHSA-N 380.473 4.361 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1nc(OC)ccc1Br)CC2=O 587458929 VGTVPEMTHWFHPC-HNNXBMFYSA-N 392.249 4.217 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccccc1F)CC2=O 587467369 QLOPFEAMLIUHEZ-QFIPXVFZSA-N 386.419 4.298 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(N)ccc21 587473448 VFFDIOWISGCQIZ-RUZDIDTESA-N 399.446 4.380 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC(=O)O)c3ccccc13)CC2=O 587474154 CHNMCKUDMNRGFQ-OAQYLSRUSA-N 393.439 4.481 0 1 GIAF CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CCN2C(=O)OC(C)(C)C)C1 587485601 IZGPLDOVHUVUJJ-UHFFFAOYSA-N 387.476 4.222 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ncnc1Cl 587550777 BRQGEUOEHSTOKH-WBMJQRKESA-N 389.194 4.192 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc2cccnc12 587587966 QUGDUFKHNXQPDK-CVDCTZTESA-N 385.375 4.349 0 1 GIAF CC[C@@]1(c2ccc(C(=O)O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607451 IOUSDLKEOWYNAX-CVDCTZTESA-N 390.391 4.358 0 1 GIAF CCN(CC)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611451 ITMHQJONSWJQPI-XLIONFOSSA-N 396.468 4.398 0 1 GIAF O=C(O)c1cccc2c(CCCC3OCCO3)c(Cc3ccc(F)cc3)[nH]c12 587638831 WCCJSYRZMMGFGW-UHFFFAOYSA-N 383.419 4.292 0 1 GIAF COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1O 587716873 KAKZAVUKMIKQCV-YYSFKGJASA-N 398.247 4.239 0 1 GIAF CCN[C@H](C)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587756623 RMGQNBUYCLMNNJ-ARGWCVDVSA-N 391.328 4.364 0 1 GIAF CC(C)C[C@]1([C@@H]2CCCNC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587791528 GDXBJTUTUCCFON-ZBQZNYHESA-N 383.349 4.363 0 1 GIAF C=C1C=C(C)n2ncc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2N1 587796142 PJQLMTFIAYGZBG-QGHHPUGFSA-N 389.272 4.208 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cnc(C)nc1C 587864747 OHNCNQSBEJXCLC-UHFFFAOYSA-N 390.365 4.063 0 1 GIAF CCC[C@]1(CC(=O)OC)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817516 OCZRBYMZBRMLGB-XMMPIXPASA-N 392.499 4.451 0 1 GIAF C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1C[C@@H](CCC(=O)O)[C@]12O 1772635809 WVFKXMINXQDSRC-VZLSALRVSA-N 388.548 4.440 0 1 GIAF Cc1c(C(=O)Nc2ccc(F)c(F)c2)sc(N)c1C(=O)Nc1ccccc1 1857572569 HUAQRGGRMKMWEQ-UHFFFAOYSA-N 387.411 4.422 0 1 GIAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3C4=C(C(=CCCC)OC4=O)[C@@H](C[C@@H]3O)[C@H]21 2356635235 XJWHYHJLIGBXTB-ZZGLYJMHSA-N 396.483 4.098 0 1 GIAF CC(C)CCOc1ccc(C(=O)CCN[C@@H](CC(=O)O)c2ccccc2)cc1 2922273 IZFAOMJBZAXUKC-NRFANRHFSA-N 383.488 4.490 0 1 GIAF O=C(Nc1ccc(F)cc1F)c1sc(=S)n2c1[nH]c(=O)c1sccc12 2956541 RXTJECZVWJQSGS-UHFFFAOYSA-N 395.437 4.164 0 1 GIAF CCc1c(Sc2cc(C)cc(C)c2)n(C/C=C/c2ccco2)c(=O)[nH]c1=O 6424910 GESGCEHJZAKZDK-FNORWQNLSA-N 382.485 4.173 0 1 GIAF c1ccc(CNCCOCCOc2ccc(OCc3ccccc3)cc2)cc1 26566450 HMMHDEWDBYVAIU-UHFFFAOYSA-N 377.484 4.451 0 1 GIAF CCCc1c(-c2csc(-c3cc(C(=N)N)sc3SC)n2)cnn1C 26831601 UTTJMTRSTYBLHR-UHFFFAOYSA-N 377.564 4.231 0 1 GIAF COc1ccc([C@@H]2/C=C/CN(CC3CC3)CC(=O)N2Cc2ccc(F)cc2)cc1 37867891 YFMFCAMAWSFOKK-XFBYCMBJSA-N 394.490 4.186 0 1 GIAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2cccnc2)cs1 43201321 HPVZRIKZJLDUBC-LJQANCHMSA-N 379.485 4.338 0 1 GIAF COc1ccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)cc1 101077575 VYEYBBQGWGPSPF-UHFFFAOYSA-N 379.481 4.288 0 1 GIAF CC(C)Oc1ncc(C(=O)N[C@@H]2CCCC[C@H]2O)cc1-c1ccc(Cl)cc1 103247971 IDZDVJUAYQJHQD-RTBURBONSA-N 388.895 4.223 0 1 GIAF O=C(Nc1nc2cccc(-c3cccc(OCc4ccccc4)c3)n2n1)C1CC1 118399743 AKDKCIMVICLWIO-UHFFFAOYSA-N 384.439 4.324 0 1 GIAF COC[C@H](C)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1 142108916 UABKTNXHPQVUBR-KRWDZBQOSA-N 389.499 4.313 0 1 GIAF C[C@@H]1CCCN(c2nccnc2O[C@H]2C[C@H](Nc3nc4ccccc4s3)C2)C1 146206828 RCSSHEXZQQVRTJ-OAGGEKHMSA-N 395.532 4.345 0 1 GIAF O=C(NCc1cccnc1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 147990734 QNZPEMCGYNZIOL-UHFFFAOYSA-N 397.438 4.338 0 1 GIAF CCC[C@@H](C)[C@H](OC(=O)/C=C/c1ccccc1)[C@H](C)[C@H](O)C/C=C/C=C/C(N)=O 377391282 OJAGQZQYWOJBHT-SVXFBMITSA-N 399.531 4.033 0 1 GIAF in-vitro Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc4ccccc4cc3[nH]2)cc1 586940745 FAWMZTXGYXRJDW-KHPPLWFESA-N 377.469 4.115 0 1 GIAF Fc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c(F)c1F 587077752 ZGFLNEOCUGHZLY-UHFFFAOYSA-N 378.741 4.469 0 1 GIAF CC(C)(C)OC(=O)N[C@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587104017 MCCYMBOOQAEMKO-CYBMUJFWSA-N 386.451 4.438 0 1 GIAF COc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1C 587145258 VKTUUTBEAAVFNW-CYBMUJFWSA-N 378.245 4.024 0 1 GIAF CCOC(=O)[C@@H](C(C)C)[C@@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399407 JTSTTZIWRLYZJE-ZJSXRUAMSA-N 395.499 4.359 0 1 GIAF C[C@@H]1Cc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1C 587584401 XOVZDTMKXQJVQQ-CGOGNOBXSA-N 387.435 4.476 0 1 GIAF COc1cccc(OC)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590558 CNVMRFQAYAILBH-OFNKIYASSA-N 392.407 4.286 0 1 GIAF CCCCCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593098 BYQOCNPQCNURIN-KNQAVFIVSA-N 384.428 4.236 0 1 GIAF CC(C)(O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587607460 IPJYTCDQNVMHQU-GBXCKJPGSA-N 390.435 4.497 0 1 GIAF CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1CO 587801711 NBYYWMCUTRVHFO-NSPYISDASA-N 394.284 4.103 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@H]2C1(C)C 587827953 MGADWBINPZIUPX-RPGZFSACSA-N 380.301 4.343 0 1 GIAF COc1ccc(CCCc2nc3c(F)cnc(Br)c3[nH]2)cc1OC 587926356 XTDKZYMUMLMJAN-UHFFFAOYSA-N 394.244 4.052 0 1 GIAF C[C@H](CC[C@H]1NCCc2ccc(O)cc21)N(C)C(=O)OCC[Si](C)(C)C 963328199 DUNATJFTCRXLGC-DNVCBOLYSA-N 378.589 4.154 0 1 GIAF CN1[C@H]2CCC[C@H]1CC(OC(=O)c1cn(CC(F)F)c3ccc(F)cc13)C2 1772616346 QPEADQQVOZWTMF-KBPBESRZSA-N 380.410 4.218 0 1 GIAF CC(C)=CCc1c(O)cc(O)c(C=O)c1C(=O)c1c(O)cc(C)c(Cl)c1O 1857564136 RYCFVSWWKSWKTH-UHFFFAOYSA-N 390.819 4.023 0 1 GIAF COc1ccc(C(=O)Nc2nc(C)nc3sc(-c4ccccc4)nc23)cc1 1857604322 JVYMQQUYPRGHMF-UHFFFAOYSA-N 376.441 4.323 0 1 GIAF CNC(=O)C=Cc1c[nH]c(=N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12 1857624295 KNACLJBHKVSTDL-UHFFFAOYSA-N 380.448 4.064 0 1 GIAF Cc1cccc(C2=NN(C(=O)Cc3ccccc3Cl)[C@@](O)(C(F)(F)F)C2)c1 1857751514 AQYWZJCOXCUTDD-SFHVURJKSA-N 396.796 4.078 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(CC=C(C)C)c1OC 5854572 AUNLUWJOQFJDDA-IBGZPJMESA-N 384.428 4.330 0 3 GIAF biogenic COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(F)cc1Cl 2480301 XIDZGUMURONGPZ-UHFFFAOYSA-N 392.789 4.316 0 1 GIAF COc1cccc(-c2c[nH]c([C@@H](O)c3cccc(CN4CCCCC4)c3)n2)c1 61897409 PTVLMMPXTDJQCA-QFIPXVFZSA-N 377.488 4.153 0 3 GIAF Cc1ccc(NC(=O)N2CCN(Cc3nc4ccc(C)cc4o3)CC2)c(Cl)c1 21020964 XQNGUWSEEZVSER-UHFFFAOYSA-N 398.894 4.448 0 1 GIAF COc1ccccc1C(=O)NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1 29123232 MMFNQGNFRBPQPS-UHFFFAOYSA-N 392.474 4.382 0 1 GIAF COc1cc(Nc2ccn3nc(-c4ccc(F)cc4)cc3n2)cc(OC)c1OC 61927225 CYWYCWUVBFVQQT-UHFFFAOYSA-N 394.406 4.305 0 3 GIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1[C@@](C)(C(=O)OC)CCC[C@]12C 2356670065 YSYZPARABHAHEC-UGTAXJHQSA-N 378.509 4.193 0 1 GIAF COc1cccc(CNc2ncnn2-c2cccc(Cl)c2Cl)c1OC 29126211 VCCUZLIEUUWQFL-UHFFFAOYSA-N 379.247 4.203 0 1 GIAF O[C@@]1(c2ccc(-c3ccc(Br)cc3)cc2)CN2CCCC[C@@H]2CO1 40954611 IFRLXVCJEQULMZ-UXHICEINSA-N 388.305 4.146 0 1 GIAF in-vitro COCCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2cccc(C)c2)n1 82145069 HHULNIYYLSXQGE-YLJYHZDGSA-N 396.535 4.209 0 1 GIAF c1cnc2c(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cccc2c1 84652323 XZVMPANJGAEMPG-UHFFFAOYSA-N 379.533 4.208 0 1 GIAF CN(Cc1nc2ccccc2n1CCCCCN)[C@@H]1CCCc2cccnc21 45323762 HYADPBAFAIELQN-OAQYLSRUSA-N 377.536 4.070 0 1 GIAF COc1cc(-c2cnc3ccc(Cc4ccc(F)cc4)nn23)cc(OC)c1OC 82082704 VNTSFNIVGLIFLM-UHFFFAOYSA-N 393.418 4.152 0 1 GIAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 299887889 ZPCXAUOJBCUVFD-CEMLEFRQSA-N 398.503 4.013 0 1 GIAF O=C1Nc2ccccc2/C1=C\c1cc[n+](Cc2ccccc2Br)cc1 299835014 UWHRTIFFOUOZAB-UHFFFAOYSA-O 392.276 4.278 0 1 GIAF CC/C=C/CCOC(=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792428 LDKDBGRAMHWISC-SZRIQHFXSA-N 384.289 4.237 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccc([C@@H](C)C(=O)O)cc1)(C(C)C)[C@@H](C2)C3=O 587447003 JRAMZFXANMSKCT-ZGJHTFNLSA-N 380.440 4.182 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nn(CC)cc1Br)CC2=O 587457897 CYVPORQAQUKTBS-GOSISDBHSA-N 393.281 4.204 0 1 GIAF O=C1c2ccc(O)cc2O[C@](c2ncc[nH]2)(c2ccco2)[C@H]1c1ccc(F)cc1 587348959 SSQFWKYSWMPUQP-SIKLNZKXSA-N 390.370 4.150 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CCCO[C@@H]3CC)nc2c1 586907480 ATJHOFWLXCXSRT-SMDDNHRTSA-N 381.270 4.175 0 1 GIAF CC(=O)Nc1ccsc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587845389 QWEWIYOMEYGMML-VXJOIVPMSA-N 383.286 4.232 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(=O)OC(C)(C)C)CC1)CC2=O 587478023 ZHIUTMLGAXGHQY-JOCHJYFZSA-N 389.492 4.470 0 1 GIAF CN1CCC[C@@H]1[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581377 HGBWANQOFNQSNV-QNJCZANYSA-N 393.483 4.377 0 1 GIAF Cc1c(Br)cc2nc(CSc3ncccc3C(=O)O)[nH]c2c1C 586966395 CYESWNIZOXHPOE-UHFFFAOYSA-N 392.278 4.328 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C)NC(=O)OC(C)(C)C)N1 587750669 UVNYKHCAPJXYCN-WMFXKJRFSA-N 387.293 4.077 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1OC(F)(F)O2 587558937 YJHPTVHRYYMYKI-UZLBHIALSA-N 398.317 4.417 0 1 GIAF Cc1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2cc1F 586969353 JRWOAXLGXCUWTG-UHFFFAOYSA-N 384.392 4.081 0 1 GIAF CCC[C@]1(c2cn(CC(=O)O)c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587389700 IPJJHSHEHNBIRM-HSZRJFAPSA-N 392.455 4.277 0 1 GIAF COc1c(Br)ccc(F)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587382045 NNRBMFCMBWLYER-AWEZNQCLSA-N 380.213 4.194 0 1 GIAF C[C@H]1CCCCN1C(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587761558 PWYFIUGIOWIKGW-QHRIQVFBSA-N 397.332 4.129 0 1 GIAF CCC[C@]1(c2cc3c(cc2N)OCCO3)N[C@H](CC)Cc2c1[nH]c1ccccc21 962955170 XRPCVWOVGAJXIE-OYLFLEFRSA-N 391.515 4.489 0 1 GIAF COc1ccc2c(c1)[C@@](C)(c1c(C)n[nH]c1C)N(Cc1ccc(F)cc1)CC2 963305528 YLGFJCPHJUZCNV-QHCPKHFHSA-N 379.479 4.496 0 1 GIAF COc1cc(Br)cc(OC)c1[C@H]1NCCc2c1sc(C)c2C 963014583 IZDXUUBKCXODHI-MRXNPFEDSA-N 382.323 4.380 0 1 GIAF Cc1ccnc2c1CCN[C@H]2c1ccc(OC(F)(F)F)c(Br)c1 963072587 TXRFAYXHHANOIY-AWEZNQCLSA-N 387.199 4.286 0 1 GIAF COc1cc2nccc([C@@H](OC(C)=O)c3ccc4ncccc4c3)c2cc1OC 1772592164 HFZVHALLDPHQKN-QHCPKHFHSA-N 388.423 4.453 0 1 GIAF COc1cc(O)c(Cc2ccccc2O)c2c1C(=O)C[C@@H](c1ccccc1)O2 5998818 KKEXONXLVLHEJJ-FQEVSTJZSA-N 376.408 4.404 0 1 GIAF biogenic O=C(Cc1cn(Cc2ccc(F)cc2)c2cc(O)ccc12)Nc1ccncc1 13556648 ZFCDLWUKULWPJT-UHFFFAOYSA-N 375.403 4.111 0 1 GIAF CCCN(C/C=C/I)[C@@H]1CCc2cccc(OC)c2C1 13833400 NBAJLSFGMWTKML-HYJLXUOHSA-N 385.289 4.213 0 1 GIAF CC1(C)N=C(N)N=C(N)N1c1ccc(CCCCc2ccccc2)cc1Cl 16981861 QNHNFWVCIOKDQJ-UHFFFAOYSA-N 383.927 4.091 0 1 GIAF COc1cc(OC)c([C@H]2CC[C@H]2c2c(OC)cc(OC)cc2OC)c(OC)c1 1857540122 USQVABGTLLYGDN-IYBDPMFKSA-N 388.460 4.399 0 1 GIAF Cc1ccc(N[C@@H]2CCc3nnc(C)n3-c3ccc(-c4ccc(=N)[nH]c4)cc32)cc1 1857577116 ADYNVVWANYTWDZ-OAQYLSRUSA-N 396.498 4.458 0 1 GIAF O=C(O)C[C@H]1CCN(CCCc2ccccc2)C[C@H]1Cc1nc2ccccc2[nH]1 2356387244 MRSWWSHLDFMGHJ-WOJBJXKFSA-N 391.515 4.151 0 1 GIAF CC(C)c1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 4051949 MTTCAPAGMMZOBV-IFMALSPDSA-N 394.515 4.037 0 1 GIAF Cc1n[nH]c2nc3nc(-c4ccccc4)cc(-c4ccc(Cl)cc4)c3c(=O)n12 102843736 KHDVIMGPFPAZKS-UHFFFAOYSA-N 387.830 4.262 0 1 GIAF O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(c3ccccn3)CC2)cc1 103245461 NHEPQQVAWXSJRZ-NTEUORMPSA-N 384.483 4.060 0 1 GIAF CCN1CCN(CCOc2ccccc2)[C@@H]2CCn3c(c(C)c4ccccc43)[C@H]21 58623808 DQXJJEZPKISUDR-NOZRDPDXSA-N 389.543 4.480 0 1 GIAF CCOC(=O)C[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26736670 ZWEAWVBDWMYBOG-XMMPIXPASA-N 386.451 4.194 0 1 GIAF Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OCCO)cc1 28219937 XKOLCHQZSYHRED-UHFFFAOYSA-N 376.478 4.147 0 1 GIAF Cc1c(-c2csc(N)n2)c(C(=O)Nc2ccccc2)nn1-c1ccccc1 29123386 FVZLTZVEEMUELQ-UHFFFAOYSA-N 375.457 4.139 0 1 GIAF Cc1ccccc1-c1c(-c2ccc3n[nH]c(N)c3c2)nnn1Cc1ccccc1 63539939 GJOXRIYWDHESDF-UHFFFAOYSA-N 380.455 4.427 0 1 GIAF CC(=O)O[C@@H]1[C@H](O)c2c(C)coc2CC(C)=CCC[C@H](C)[C@H]2CC[C@@]1(C)O2 2356786418 AQUCDLLZQHHABV-XNROMZQHSA-N 376.493 4.410 0 1 GIAF CNCC[C@H](c1ccccc1)n1c(=O)n(-c2ccccc2F)c2cccc(F)c21 34986675 NIAVVXCRSHJORD-LJQANCHMSA-N 393.437 4.269 0 1 GIAF COC(=O)c1cccc(-c2nc(C(=O)CCCCCCc3ccccc3)no2)n1 40875070 INWPSDALYTZOAI-UHFFFAOYSA-N 393.443 4.294 0 1 GIAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)C1 82152314 RQRWZNZAACFDOU-CALCHBBNSA-N 396.510 4.391 0 1 GIAF COc1ccc2oc(=O)c(-c3cn(-c4cccc(C(=O)O)c4)c(=S)[nH]3)cc2c1 82151308 SAFXYJWXQPZDKB-UHFFFAOYSA-N 394.408 4.015 0 1 GIAF O=C1Nc2c(C(=O)O)cccc2/C1=C(\c1ccccc1)c1nc2ccccc2[nH]1 84739147 FEIFRPGVCLWCHZ-HNENSFHCSA-N 381.391 4.172 0 1 GIAF COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@]21CCSC(N)=N1 140680813 RYZVINVHWKMZQC-ZUEZHPSSSA-N 380.557 4.227 0 1 GIAF Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1C 253691914 UFMFZMDUAJJNSE-LMTLIKQPSA-N 387.476 4.443 0 1 GIAF O[C@@H](CCC[N+]1=CC[C@@](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 299854030 TVNNNRFMXOLHBK-SFTDATJTSA-N 376.879 4.058 0 1 GIAF COc1cc(OC)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 587081769 FNVRHOPEYTXVAC-UHFFFAOYSA-N 384.823 4.134 0 1 GIAF Cc1c(F)ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 586935711 GDMAHSWEPMDMAQ-INIZCTEOSA-N 395.887 4.339 0 1 GIAF Nc1ccc(-c2ccc3nc(-c4cc(Br)cnc4F)[nH]c3c2)cc1N 587178296 ZUPKQMSBRYXZBT-UHFFFAOYSA-N 398.239 4.358 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3[nH]c(C(=O)OCC)c(C)c31)CC2=O 587487840 XEPXQAPKTPEWQL-HSZRJFAPSA-N 397.471 4.355 0 1 GIAF NC1CCC(c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 587256021 AIVQLGNMGWRNOU-UHFFFAOYSA-N 378.192 4.209 0 1 GIAF COc1ccc2c(C)c(CCc3nc4cc(F)cc(F)c4[nH]3)c(=O)oc2c1C 586918240 KPYWKRNUSCAROO-UHFFFAOYSA-N 384.382 4.358 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)CCO3)N1 587836699 XKLNVWLNGANPFY-JEOXALJRSA-N 376.269 4.321 0 1 GIAF Cc1nn(C)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342260 MMFXASCRXRESGI-RBBKRZOGSA-N 380.419 4.156 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 586938576 KNCOHAAXVGMCTJ-SECBINFHSA-N 399.850 4.238 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccccc3)no2)N1 587794546 NBCFHBDICOIPSM-QFYYESIMSA-N 388.240 4.262 0 1 GIAF COCc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587592756 KEYPCUFFPMPBJG-NZQKXSOJSA-N 392.407 4.250 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccccc1OC)CC2=O 587475693 BYBVIJZLMPTUOY-HSZRJFAPSA-N 398.455 4.167 0 1 GIAF COC(=O)C[C@@]1(c2ccccc2C(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 587381743 KXIQSICNUBLWOT-LJQANCHMSA-N 393.361 4.020 0 1 GIAF COC(=O)[C@H](c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O)C(C)C 586990268 BTMDSUJHDDRAAA-KRWDZBQOSA-N 375.424 4.373 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3CN(Cc4ccccc4)C[C@H]3C1)O2 587397933 COQZODUVQWTJAL-XLNZFTOWSA-N 376.500 4.213 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccccc2)N1 587738782 CVHJDPXHXCXXGG-JOFJWAOCSA-N 389.312 4.441 0 1 GIAF CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O 587604664 VEASUAYMNPSCQR-NYIVEISTSA-N 378.424 4.118 0 1 GIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 587044647 KMYVAMADUSIDAJ-OAHLLOKOSA-N 381.219 4.278 0 1 GIAF COc1cc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2cn1 587166357 QYPXIDMHNPNOMK-UHFFFAOYSA-N 379.420 4.073 0 1 GIAF CC[C@]1(C2(C(=O)OC)CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587810131 TZIFGVXXBXIDRV-ZMZPIMSZSA-N 384.289 4.071 0 1 GIAF CCOc1ccnc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962642118 NOFPRJWOPXJXFL-OFVILXPXSA-N 385.511 4.317 0 1 GIAF Cc1sc2c(c1C)CCN[C@H]2[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 963015985 XDHDKQSGCZKKRG-KCXAZCMYSA-N 380.554 4.312 0 1 GIAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc([C@H](C)O)nc12 13442854 HAWFVOHRJWLGGU-VIFPVBQESA-N 392.242 4.251 0 1 GIAF COC(=O)c1cc(CC(=O)N(C)CCc2ccccc2)ccc1-c1ccccc1 13758641 YLWQYXBYELVQEL-UHFFFAOYSA-N 387.479 4.384 0 1 GIAF CC1(C)CC(=O)[C@@H]2C(=Nc3cc4c(cc3[C@H]2c2ccc3c(c2)OCO3)OCO4)C1 18182095 MJCORWPEGJFHQI-YADHBBJMSA-N 391.423 4.367 0 1 GIAF CCN1C/C(=C\c2ccc(F)cc2)C2=NC(=S)N[C@@H](c3ccc(F)cc3)[C@@H]2C1 169730312 VZTXFHPADOIFMO-AHJJFNAJSA-N 397.494 4.370 0 1 GIAF CNC(=O)c1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 167763596 DHCQDGXHMONIAG-UHFFFAOYSA-N 377.425 4.251 0 1 GIAF CC(C)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CC2)n1)c1nccs1 207732094 PBGTZDBBZPCTJF-UHFFFAOYSA-N 385.411 4.011 0 1 GIAF O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774582 BDTWWPAKBITJJF-JKSUJKDBSA-N 386.835 4.288 0 1 GIAF CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NC[C@@H](O)CC 775062 BLJWXNXKYITCOX-AWEZNQCLSA-N 398.434 4.047 0 1 GIAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](CO)[C@H](C)CC)c1 775776 XWUVJRHCQIYQLS-PBHICJAKSA-N 388.508 4.175 0 1 GIAF CC(C)(CO)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(F)cc1Cl 775887 AIJVLWLHVMDHOJ-UHFFFAOYSA-N 382.863 4.180 0 1 GIAF O=c1cc(N2CCOCC2)oc2cc(OCc3ccc4ccccc4c3)ccc12 13676996 LEJCIOUYDVFWGT-UHFFFAOYSA-N 387.435 4.362 0 1 GIAF CC(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)OCc1cc(C)cc(C)c1 13736257 DAPDEQPNIOMAKI-IBGZPJMESA-N 394.298 4.401 0 1 GIAF O=C(CCCCCCCCCCc1ccccc1)CC(=O)N[C@H]1CCOC1=O 40915347 ALYMHYDVCHESJL-NRFANRHFSA-N 387.520 4.131 0 1 GIAF CCN(CC)C[C@H](O)COc1cc(OC)ccc1-c1cc(-c2ccccc2)no1 71295595 MVLHECKIGUCGIK-SFHVURJKSA-N 396.487 4.099 0 1 GIAF CCc1sc(-c2ccccc2C(N)=O)cc1C(=O)Nc1nc2c(s1)CCC2 72181469 PKPOVBDXYFZJMG-UHFFFAOYSA-N 397.525 4.274 0 1 GIAF COc1cccc(COC(=O)c2oc3cccc(OC4CCNCC4)c3c2C)c1 95555883 MODWRRKHFAUNLX-UHFFFAOYSA-N 395.455 4.238 0 1 GIAF in-vitro CCOCCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 145238934 SVIZYPURTQVMJA-UHFFFAOYSA-N 392.459 4.169 0 1 GIAF O=C(NCCCCN1CCN(c2cccc3ccccc23)CC1)c1ccccc1 149586702 MXPOQDYZUGUMLL-UHFFFAOYSA-N 387.527 4.172 0 1 GIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc(OCCF)cc1 167603978 YCLYXQUSYHIHEA-SFHVURJKSA-N 387.451 4.306 0 1 GIAF CC(=O)O[C@H]1O[C@@H]2OC(=O)[C@@H](C)C3=C2[C@@H]1CC[C@H]3[C@]1(C)CCCC(C)(C)C1 238750171 WJPVZBITVAJOKV-UREHFNSSSA-N 376.493 4.354 0 1 GIAF Cc1nccc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 586966038 BRNHLOJBTIPMQN-UHFFFAOYSA-N 376.489 4.076 0 1 GIAF Fc1cc(F)c(-c2nc3ccc(Br)nc3[nH]2)cc1Br 587137928 SMJBAAYQWPDDCP-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF C[C@]1(c2cc(Cl)ncn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334842 ZJEWQGPLYFLLNO-AZUAARDMSA-N 384.794 4.249 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(C(F)(F)F)ccc21 587464922 ZEDGZTVBNOTRHD-LJQANCHMSA-N 391.345 4.176 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1nnn(-c3ccccc3)c1C)CC2=O 587475202 KEVIJSKRJVHWGF-QFIPXVFZSA-N 377.444 4.114 0 1 GIAF COC(=O)c1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N(C)C 587510330 GJQFFGOJKLEADH-OAQYLSRUSA-N 379.456 4.125 0 1 GIAF CCOC(=O)COc1ccccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521020 HLLSNYJEPNQBJY-DEOSSOPVSA-N 394.467 4.388 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccn1 587538412 DTJMKCIGAZPIAT-APWZRJJASA-N 398.212 4.253 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc2c1OCOC2 587567437 ANWXKLFIPQOYHW-AVRDEDQJSA-N 394.354 4.101 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)c2ccccc12 587586877 KZXSGANNPBSFRH-DENIHFKCSA-N 385.375 4.349 0 1 GIAF COCC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598380 UJBBKSFSQJNCOD-NZQKXSOJSA-N 376.408 4.286 0 1 GIAF Cc1cccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)c1 587648891 IYGNTYDZFNWAKO-UHFFFAOYSA-N 381.375 4.130 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(Br)ccn1 587657474 UZZXKKWWQBCLAM-UHFFFAOYSA-N 396.219 4.349 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3nc(F)ccc23)N1 587738506 OYUNILWTXHHBIH-PWJLMRLQSA-N 378.220 4.227 0 1 GIAF COc1ccc2c(c1OC)[C@@](C)(c1cc(F)c(OC)c(F)c1)N(C)[C@@H](C)C2 962620387 HHUNZCQRLQFGTJ-LAJNKCICSA-N 377.431 4.131 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](Cc2ccc(F)c(F)c2)(c2ccccc2)N1 962900488 RCHXDOPSGJMEHK-REWPJTCUSA-N 397.396 4.189 0 1 GIAF Cc1cccc(C2=NN(C(=O)Cc3ccccc3Cl)[C@](O)(C(F)(F)F)C2)c1 1857751513 AQYWZJCOXCUTDD-GOSISDBHSA-N 396.796 4.078 0 1 GIAF CO[C@@H]1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc(O)c(CC=C(C)C)c1 2356803102 WSOSQBNYWYUTQJ-HSZRJFAPSA-N 380.440 4.132 0 1 GIAF CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 770194 DVAXTTZOVDLKQN-GMAHTHKFSA-N 387.483 4.086 0 1 GIAF O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H]2COC(=O)N2c2ccccc2C1 2356402812 RKKJBOFOVXRLQR-MRXNPFEDSA-N 390.361 4.077 0 1 GIAF COc1cc(N[C@@H](C)CCCN2C(=O)[C@H](C(C)C)NC2(C)C)c2ncccc2c1 28522079 LSPPUZWYYVSPQJ-JXFKEZNVSA-N 398.551 4.017 0 1 GIAF CC(C)=CC[C@@H]1Cc2cc3c(cc2C[C@@H]1O)OC[C@H]1c2ccc(O)cc2O[C@@H]31 2356587054 WWSJZUZKQALFSA-CTNUWWFFSA-N 378.468 4.434 0 1 GIAF COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@H]3N=C(S)NC(=N)[C@@H]32)cc1 64446966 UXKXKYXXXUUSRZ-SLYNCCJLSA-N 389.480 4.181 0 1 GIAF Cc1cc(S(=O)(=O)c2ccc3sccc3c2)cc2c3c(oc12)CCNC3 147613199 JTTIDZZIULKCCG-UHFFFAOYSA-N 383.494 4.434 0 1 GIAF C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@H](O)C[C@H]1[C@H](C)C[C@H](C=C(C)C)OC(C)=O 238731376 HNCJOYGJZXFKBQ-UHLDDXTESA-N 380.525 4.196 0 1 GIAF CN1CCN(c2c(-c3ccc(Br)cc3)[nH]c3cccc(F)c23)CC1 587632220 GUIORZQQXXYQNU-UHFFFAOYSA-N 388.284 4.488 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ncc[nH]2)(c2cccs2)N1 587852847 NNLKXJZSWUXNGB-BTDLBPIBSA-N 392.297 4.199 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc5ccccc5cc4[nH]3)cc12 587037264 GVHJNHKNXPGCOY-LBPRGKRZSA-N 389.484 4.464 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3nnco3)cc2)N1 587796168 PLRKIZWPCYBUHM-BMLIUANNSA-N 388.240 4.262 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccnc1Cl)CC2=O 587463666 ZHHLYVSTAVSKDK-XMZCSZCVSA-N 386.879 4.329 0 1 GIAF CCCc1nc(-c2nc3c(F)c(F)c(F)cc3[nH]2)nn1-c1ccccc1F 587155881 IQHLEJLPQHNIMX-UHFFFAOYSA-N 375.329 4.320 0 1 GIAF COc1cc(-c2nc3cccc(O)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143293 ADNANZALRCSYDJ-UHFFFAOYSA-N 378.359 4.448 0 1 GIAF CCOC(=O)[C@H](C(C)C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587797098 LQNGLAWGDWJSIK-VOZBZGINSA-N 386.305 4.173 0 1 GIAF COC(=O)C1(C)CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348597 HEPFAJKYZDSENW-BVVFMGSASA-N 398.430 4.382 0 1 GIAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccc(F)cc2)c1O 587945775 QTKHEDUWAWGXJJ-INIZCTEOSA-N 378.306 4.328 0 1 GIAF CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1N 587577767 LOZCIPQJYGIPLE-OFNKIYASSA-N 391.423 4.250 0 1 GIAF CCCC[C@@]1(CC(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799246 RJJQMTHOXBLVAE-SGTLLEGYSA-N 386.305 4.461 0 1 GIAF N=c1nc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c(Cl)[nH]1 587069606 FQWHWUNHODETJP-UHFFFAOYSA-N 386.242 4.318 0 1 GIAF COc1ccccc1/C=C1\N2CCC(CC2)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587395623 SPKQGMJOGLABRM-MFUBYVTQSA-N 390.483 4.057 0 1 GIAF CCS(=O)(=O)c1ccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 587069389 JMKBLASMBXKZDP-LBPRGKRZSA-N 390.892 4.386 0 1 GIAF COc1cc(F)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569530 QTKNHTYFFWDUKS-SIKLNZKXSA-N 380.371 4.417 0 1 GIAF O=C1C[C@H](c2cccc(F)c2N2CCOCC2)Oc2c1ccc1c2CCCC1 587504543 JJBHKWLNNINROW-OAQYLSRUSA-N 381.447 4.248 0 1 GIAF COc1ccnc(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587702763 FGAOZWFHMHGAJL-GLEZIHRCSA-N 385.664 4.269 0 1 GIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1c1ccc(N)cc1N 961777904 OTXDZQJPMFFAIR-OAQYLSRUSA-N 394.519 4.092 0 1 GIAF Cc1ccnc2c1CCN[C@@]2(CCCC1OCC(C)(C)CO1)c1ccccc1F 963068657 BXLNEVIVTVMEOB-DEOSSOPVSA-N 398.522 4.488 0 1 GIAF CCOC(=O)[C@H]1CCCCCC[C@]12NCCc1cc3cccc(OC)c3nc12 963062962 YOPKPMJPCOEMPX-JPYJTQIMSA-N 382.504 4.118 0 1 GIAF CC(C)C(C/C=C1/C(=O)O[C@](CO)(COC(=O)C(C)(C)C)C1(C)C)C(C)C 13583254 KJZLQHREPYKCJR-CJBPROBKSA-N 382.541 4.135 0 1 GIAF O=C(O)C1=C[C@H](c2csc3ccccc23)C[C@H](OCc2ccc(CO)cc2)O1 13634735 RBHZUPHSSLTKON-HRAATJIYSA-N 396.464 4.409 0 3 GIAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H](CO)[C@@H](C)CC 775632 ODPAKYAXSFDBRT-HOCLYGCPSA-N 388.508 4.175 0 1 GIAF Cc1ccc(NC(=O)c2ccc(N)cc2)cc1Nc1nccc(-c2cccnc2)n1 13553263 QSOMBOJKYIKONR-UHFFFAOYSA-N 396.454 4.425 0 1 GIAF Cc1ccccc1-c1[nH]c(C(F)(F)F)nc1-c1ccc(S(C)(=O)=O)cc1 27085205 LSFUTOWOQGNEPL-UHFFFAOYSA-N 380.391 4.474 0 1 GIAF CC(C)=CCn1c(C(=O)c2cccc3ccccc23)c(C(C)C)c(=O)[nH]c1=O 28652524 FBCMDMJZXQHPLC-UHFFFAOYSA-N 376.456 4.010 0 1 GIAF Cc1cc(OCCP(=O)(O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 40833653 GZPZKAZISNKHLE-UHFFFAOYSA-N 378.405 4.280 0 1 GIAF CC1(C)C[C@H](NC(=S)Nc2cccnc2)c2cc(Br)ccc2O1 45350376 JTMFMMIPFUCZGO-AWEZNQCLSA-N 392.322 4.433 0 1 GIAF CC(C)CN(C)Cc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1 72114372 HWXVHNVQBIRMDV-UHFFFAOYSA-N 386.561 4.226 0 1 GIAF Cc1nn(-c2ccccc2)c2nc(-c3ccc(NC4CCNCC4)cc3)cc(O)c12 149583784 CRBDCGZNOTTYCZ-UHFFFAOYSA-N 399.498 4.265 0 1 GIAF O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccccc2)CC1 168572942 FMSPYCIOLLLRCM-KDURUIRLSA-N 396.487 4.442 0 1 GIAF Cc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 169355933 BEJDZVFFWORYPM-FKBYEOEOSA-N 394.544 4.075 0 1 GIAF COc1ccccc1-c1ccnc2cc(S(=O)(=O)Nc3nccs3)ccc12 225058424 SWAGMKWWGSVZEE-UHFFFAOYSA-N 397.481 4.168 0 1 GIAF CNC(=O)Nc1ncc(SCc2ccccn2)cc1Oc1cccnc1C 299819113 BFVGHCDGWVFTSA-UHFFFAOYSA-N 381.461 4.016 0 1 GIAF OCc1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 586894841 FGGFYNAEHSSMOY-UHFFFAOYSA-N 387.155 4.383 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cncc(C)c3[nH]2)c1 587050811 QZCKALOQIIRZGA-FPLPWBNLSA-N 397.866 4.310 0 1 GIAF CN1CCN(c2ccc3nc(C4(c5ccc(Cl)cc5)CCC4)[nH]c3c2)CC1 587074656 ZEUFGIQHOURSTO-UHFFFAOYSA-N 380.923 4.438 0 1 GIAF FC(F)(F)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 587088983 VLJHQUBKKIUUNH-UHFFFAOYSA-N 375.945 4.451 0 1 GIAF COc1ccc2c(c1)C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352470 OLPVKQIFONPZIU-VWNXMTODSA-N 390.410 4.436 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(Cc3ccc(Cl)cc3)c1O)O2 587377004 FNISJOZOVSRGRI-SFHVURJKSA-N 397.862 4.196 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1c(C)[nH]c3ccccc3c1=O)O2 587395906 VWGQNXWQNSZDFD-QHCPKHFHSA-N 376.456 4.084 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccc(C(=O)O)o1)O2 587404175 OSMILBDBKVMMLX-FQEVSTJZSA-N 393.395 4.154 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(/C(=C\N(C)C)c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419088 CKGZBDPQHDDNIR-HTKKNLIYSA-N 383.875 4.457 0 1 GIAF CCc1ccc([C@@]2(c3ccc(N)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 587427432 CUYPILSHBMZCNF-JPYJTQIMSA-N 375.424 4.124 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(C(F)(F)F)nn(C)c1Cl)CC2=O 587464753 XIIOQJVLUKEQMV-LBPRGKRZSA-N 388.773 4.457 0 1 GIAF COCCOCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520440 BPSBQVOZAYTRPJ-QHCPKHFHSA-N 396.483 4.314 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)c[nH]c2nccc1-2 587567287 CTIQXPGMMWBTHI-XLIONFOSSA-N 376.343 4.062 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCCO)c1ccc(F)cc1 587571758 PNHSKOPNBDSAEI-NFBKMPQASA-N 394.398 4.161 0 1 GIAF Cc1cn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)nc2s1 587617753 KULUXPUYVWLQBO-UZLBHIALSA-N 392.436 4.421 0 1 GIAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2[C@H](C(=O)O)n2cncn2)cc1 587632504 XOBXPIFYUBEIJK-GOSISDBHSA-N 384.798 4.201 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)nc2)N1 587713335 COJXEVFJAHGFKC-ANRSDYALSA-N 387.199 4.208 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(O)c(F)c2)N1 587723648 YHSXNSZTFBKLBR-CQLKUDPESA-N 386.211 4.370 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2N(C)C)N1 587757385 USCVTCLEIKZRCG-BUXKBTBVSA-N 377.301 4.452 0 1 GIAF CCOC(=O)C[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587792249 BDZHJLOJBBZMQI-RRUGBERISA-N 384.289 4.071 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(C(=O)O)cccc32)N1 587824940 DQDZTAHIKBPSIW-OVWNDWIMSA-N 390.252 4.010 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2CCC3(CC2)OCCO3)N1 587837620 JJRRUDDRXKNIOP-KZULUSFZSA-N 398.316 4.487 0 1 GIAF CCOCc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587854117 PULOPZPIVFRASH-XXFAHNHDSA-N 385.302 4.205 0 1 GIAF Cc1c([C@@]2(C)NCCc3ccc(F)c(C)c32)sc2c1C(=O)N/C(=C\Cl)N2 962149527 WVICEOOVDQZWGB-CWRQFWGNSA-N 391.899 4.106 0 1 GIAF CCOC(=O)[C@@]1(c2ccc(C)cc2F)N[C@H](CC)Cc2c1[nH]c1ccccc21 962964856 YNISICMLSYKGOE-CMJOXMDJSA-N 380.463 4.346 0 1 GIAF Cc1c(C)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2oc1=O 1226474660 HIBJQIBFQCSPQC-UHFFFAOYSA-N 377.484 4.496 0 1 GIAF Cc1cc(OCC(=O)OC(C)(C)CN)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857760229 FFVFQDDSVQDUJZ-UHFFFAOYSA-N 399.531 4.383 0 1 GIAF Cc1cc(N2CCC3(CC2)OCCO3)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 3029585 RPEAJMQWBSOXPC-UHFFFAOYSA-N 398.894 4.010 0 3 GIAF COc1cc2c(cc1OC)-c1[nH]c3ccc(C(F)(F)F)cc3c1CC(=O)N2 1654971 RVTOIQOTZUKDTE-UHFFFAOYSA-N 376.334 4.366 0 1 GIAF COc1ccccc1-c1nnc(C2CCN(C(=O)c3cccc(Cl)c3)CC2)o1 6737472 YAADHOZASDAWDW-UHFFFAOYSA-N 397.862 4.418 0 1 GIAF CSc1[nH]c2cc(Br)cc(Br)c2c1[S@](C)=O 13449763 JIIUXPPTKXBSSZ-MRXNPFEDSA-N 383.130 4.152 0 1 GIAF biogenic O=C(O)c1ccc2c(c1)/C(=C\CCN1CCSCC1)c1ccccc1CO2 13455763 KGCXCINACWOKMI-SWNXQHNESA-N 381.497 4.148 0 1 GIAF CC(C)(C)n1ncc2c(=O)n(Cc3ccc(SC(F)(F)F)cc3)cnc21 13831302 CIUTTZACMMXXAY-UHFFFAOYSA-N 382.411 4.008 0 1 GIAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@](C)(O)[C@H]2COc1ccc2ccc(=O)oc2c1 15053726 KWFSFXRPFGONDD-RKGYPADOSA-N 398.499 4.344 0 1 GIAF CC1(C)CC[C@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@@H]2C1=O 29309758 MJPBFWJRPNCFTK-BMFZPTHFSA-N 392.272 4.174 0 1 GIAF C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](OC(C)=O)CC[C@@H]4[C@H]3CC[C@@]21C 36380555 ONKUMRGIYFNPJW-JEJIVWPPSA-N 384.516 4.426 0 1 GIAF COc1cccc(CNc2noc(-c3c(-c4ccccc4)noc3C)n2)c1OC 45227139 ZLCJLCXMBWUIMN-UHFFFAOYSA-N 392.415 4.329 0 1 GIAF CN1CCC(n2cc(-c3ccc4c(c3)Cc3c[nH]nc3-4)c(-c3ccncc3)n2)CC1 71332543 BXUHJRIRASLBOI-UHFFFAOYSA-N 396.498 4.173 0 1 GIAF COCCn1c(-c2ccccc2)nc2c(NCCCc3ccccc3)ncnc21 82179760 JJEBRLMCVKXTFT-UHFFFAOYSA-N 387.487 4.184 0 1 GIAF Cc1ccnc(CC(=S)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 95571527 WYTSHVCRPCYBIF-UHFFFAOYSA-N 379.451 4.101 0 1 GIAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)C1 96929233 AXJXHEHQTGYGND-FDDCHVKYSA-N 392.547 4.068 0 1 GIAF COc1cc([C@H]2CC(c3ccccn3)=NN2c2ccccc2)cc(OC)c1OC 169328249 MDHKXHUJXIFILY-HXUWFJFHSA-N 389.455 4.463 0 1 GIAF CC(C)C1=C[C@H]2[C@@](C)(OC(=O)/C=C/c3ccccc3)C[C@H](O)[C@@H](O)[C@]2(C)CC1 238772024 DRNUHBXXLRKSBG-UIMYRPBRSA-N 384.516 4.126 0 1 GIAF Cc1ccsc1C(=CCCN1CCC[C@@H]1[C@@H](N)C(=O)O)c1sccc1C 299853950 RWWDPIHHBIWVPN-IAGOWNOFSA-N 390.574 4.125 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cccc(O)c3[nH]2)cc1 586949384 VQUMDOGPYHTPRO-UHFFFAOYSA-N 379.441 4.045 0 1 GIAF COc1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2n1 586960242 NOYMIWANHXGCJP-HHHXNRCGSA-N 377.469 4.005 0 1 GIAF COc1cc(Br)c([C@H](N)c2nc3c(C)ccc(C)c3[nH]2)cc1OC 586974736 GTODOSNPUOFFSP-HNNXBMFYSA-N 390.281 4.008 0 1 GIAF CN(C)C(=O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587112620 OZPZXBDTRSHBJE-UHFFFAOYSA-N 384.361 4.499 0 1 GIAF Cc1nc2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc2cc1Br 587113854 OBWOXBCPSCTQPP-LBPRGKRZSA-N 399.214 4.290 0 1 GIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4ccc(O)cc4[nH]3)cc2)cc1F 587147879 UPRVZVLDVLYUTQ-UHFFFAOYSA-N 389.430 4.415 0 1 GIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587232876 DQXMURWAWWECIC-JSGCOSHPSA-N 385.443 4.049 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1cccc(Cl)c1)[C@@H](C2)C3=O 587421685 WMQXBZBYYDQQOI-PGRDOPGGSA-N 377.827 4.435 0 1 GIAF COc1cc2c3c(c1)OC1(C[C@@H]4CCC[C@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O 587437005 XBVOFPIWUDPLST-HDRXPWEISA-N 389.495 4.399 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCCN1C(=O)OC(C)(C)C)CC2=O 587478479 SIYNXKKCMKOQQQ-QFBILLFUSA-N 389.492 4.468 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCCCC(=O)O)c1)CC2=O 587485532 XLELRNNRVJCVOL-QHCPKHFHSA-N 398.455 4.469 0 1 GIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(Br)cc12 587500463 WXIWOXMAYDOAPH-HXUWFJFHSA-N 398.256 4.141 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]ccc1Br 587540428 ORFRSRUGFXITNZ-KDOFPFPSSA-N 386.201 4.186 0 1 GIAF CC(C)n1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587582831 RHYZURXXGBZOKY-UGKGYDQZSA-N 378.428 4.133 0 1 GIAF Cc1cc(C(=O)O)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587610723 RIEOKHNYKLPCDJ-GHTZIAJQSA-N 376.364 4.102 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2COc3ccccc3C2)N1 587835163 NUPVKSICRJCKGX-WQBCIRTESA-N 376.269 4.415 0 1 GIAF COc1cc2c(cc1OC)[C@@H](C(C)(C)C(=O)OCc1ccccc1)N(C)[C@H](C)C2 962622088 JBCUYWBXDYNEHQ-ZHRRBRCNSA-N 397.515 4.391 0 1 GIAF COc1ccc2c(c1)NCC[C@@]21c2cccc(F)c2CCN1[C@H]1CCSC1 962715874 PPCWLBNIDHRJNC-OYHNWAKOSA-N 384.520 4.257 0 1 GIAF CCc1nccn1C[C@@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962948523 BQKDZNBXZPKKCO-LJQANCHMSA-N 393.453 4.031 0 1 GIAF Cc1coc2c1[C@@]1(CC(C)(C)C2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957502 BUULCZBLDPFQRH-RNODOKPDSA-N 395.833 4.335 0 1 GIAF COc1ccccc1-c1cc([C@H]2NCCc3cc4cccc(OC)c4nc32)on1 963038025 RJUNMZGWWZRHRL-HSZRJFAPSA-N 387.439 4.142 0 1 GIAF C[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2Cl)C1=O 1857552786 BLXCYXQUSIEXTF-GOSISDBHSA-N 398.934 4.169 0 1 GIAF COc1c(OCC=C(C)C[C@H](C=C(C)C)OC(C)=O)ccc2ccc(=O)oc12 2356389021 CSEHFWRYAPKMKF-SFHVURJKSA-N 386.444 4.415 0 1 GIAF Clc1ccccc1-c1cnc2sc(NCc3ccc4c(c3)OCO4)nn12 61898211 FDDMGTPXQXDUOI-UHFFFAOYSA-N 384.848 4.452 0 3 GIAF Cn1c(-c2ccccc2)cc2c(Nc3cccc(S(C)(=O)=O)c3)nccc21 82082124 VFWZLTWCZJREBV-UHFFFAOYSA-N 377.469 4.387 0 3 GIAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@@H]2O)c1 775595 WHVRMCSYDKQLNB-SJORKVTESA-N 386.492 4.071 0 1 GIAF C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1CCc1cc3[nH]c4ccccc4c3cc1O2 2356341769 WFJWYMIUZRCIHV-SQOUVECCSA-N 379.456 4.267 0 1 GIAF CCOC(=O)C[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 103193281 BKHTUFWIZQYTIT-UPVBINBQSA-N 375.553 4.419 0 1 GIAF Cc1ccnc2c1nc(C1CCC1)n2Cc1cc(=O)[nH]c2c(F)c(F)ccc12 59097158 IPPZWNGYIIXWFO-UHFFFAOYSA-N 380.398 4.175 0 1 GIAF Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3c(Cl)cccc3c2C1 27862211 HNRZWHPQDGUUSO-UHFFFAOYSA-N 393.874 4.003 0 1 GIAF CC=C[C@@H]1C[C@@H]1C1=C(Br)[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1 2356585849 DSVLSFOHBJOXOY-JNQPYLSLSA-N 388.099 4.425 0 1 GIAF C[C@@H](CCC(=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 2356837564 LKUNZSUKADSCME-XALNOVMASA-N 392.580 4.478 0 1 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccccc4Cl)ncc23)ccn1 219752146 GDEAEGQYJQLHOX-UHFFFAOYSA-N 392.850 4.303 0 1 GIAF COc1cc2c(c3c1C(=O)C[C@H](c1ccc4c(c1)OCO4)O3)C=CC(C)(C)O2 14559818 VKZPFWQDJJZRFN-MRXNPFEDSA-N 380.396 4.315 0 1 GIAF biogenic CC(C)CCN[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O 40956039 ZHFUUZIBVUPXHJ-WIKDVRPQSA-N 377.613 4.365 0 1 GIAF Cc1ccc(OCC2CCN(c3ncc(C(=O)NC4CC4)cc3Cl)CC2)cc1 45167145 IEMOLYMCYCXFMZ-UHFFFAOYSA-N 399.922 4.231 0 1 GIAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)N21 16041298 SXQILTOPBMTPJS-QGZVFWFLSA-N 379.847 4.450 0 1 GIAF biogenic Clc1ccc(CNc2ncnc3c2nc(C2CC2)n3C[C@@H]2CCCO2)cc1 82185291 LBPBWXGKQSRYAB-INIZCTEOSA-N 383.883 4.148 0 1 GIAF CCCn1c(=O)c(NCC(CC)CC)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82208171 DMHURLJBSPMTAH-SFHVURJKSA-N 390.572 4.033 0 1 GIAF O=C(c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1CCCCC1 43012759 NEEISBJRSKJUGD-UHFFFAOYSA-N 388.511 4.259 0 1 GIAF N=C(N)SCc1cc(F)ccc1Sc1ccc(F)cc1CSC(=N)N 84709695 UTMWAIBVJNMOFA-UHFFFAOYSA-N 398.529 4.369 0 1 GIAF NCC[C@@H]1CNC(=O)c2cc(-c3cc(Cl)ccc3F)c(-c3ccsc3)n21 143214471 OCDUTTRLHDUQLY-CYBMUJFWSA-N 389.883 4.309 0 1 GIAF O=C(Nc1c(O)n[nH]c1-c1ccc(Cl)cc1)c1ccc(Br)cc1 95564998 IDILLEBJDTZATL-UHFFFAOYSA-N 392.640 4.451 0 3 GIAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)c3ccccc3N(C)C)cc2)C1 299845715 SMGGVEANRVALLD-RXVVDRJESA-N 392.547 4.068 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3c(C)noc3C)c1)O2 587394563 HLIIJDAONFLCRQ-NRFANRHFSA-N 378.428 4.468 0 1 GIAF Cc1ccc(Cl)c(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587651786 ZSJZCLFUQXRGII-NSHDSACASA-N 377.227 4.119 0 1 GIAF COc1ccc2c(c1)OCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607119 GDTVOEPJLPBKDW-REWPJTCUSA-N 390.391 4.040 0 1 GIAF CCOC(=O)Cc1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2c1 587147877 CHIPIMWLKGGHRZ-UHFFFAOYSA-N 396.397 4.014 0 1 GIAF O=C(Nc1cccc(-c2nc3cccc(C(=O)O)c3[nH]2)c1)c1ccc(F)cc1 587164239 YZZYGJFWAYBNTH-UHFFFAOYSA-N 375.359 4.320 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(OC(F)(F)F)c1F)[C@@H](C2)C3=O 587421524 LLXAMQRFVXBTEU-KPZWWZAWSA-N 382.309 4.396 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)c(C)c(Br)c1)[C@@H](C2)C3=O 587424519 OWZJTJDCTMFXCM-SGTLLEGYSA-N 377.209 4.394 0 1 GIAF CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443903 QNUFJODRXFDIBI-DXAXBTNISA-N 384.472 4.127 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc3c(c1)CCC(=O)N3)O2 587401408 QWTIMVQFRNLOIW-RUZDIDTESA-N 398.462 4.371 0 1 GIAF N=C(N)c1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 587030753 HXSKMTOZTYFBMK-UHFFFAOYSA-N 386.278 4.073 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CCCOc1ccccc1C(N)=O)CC2=O 587470077 LYKXBCZORQAHPZ-QHCPKHFHSA-N 397.471 4.027 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(SCc3ccccc3)nc1)O2 587410392 SIFPCRNPGOGLSB-IBGZPJMESA-N 377.469 4.366 0 1 GIAF COC(=O)[C@@H]1CCC[C@@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587804784 FPOUSTJVSHEOCW-FMTVUPSXSA-N 384.289 4.071 0 1 GIAF O=C1C[C@@H](c2cnc(=NCc3ccccc3)[nH]c2)Oc2c1ccc1c2CCCC1 587511057 ISLJUNMMHJCTOK-QFIPXVFZSA-N 385.467 4.096 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc4ccc(OC)cc4nc1Cl)[C@@H](C2)C3=O 587420334 JZMFAOVIEKQPOQ-XOBRGWDASA-N 381.815 4.394 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccc(C)cc4)nc4ncccn14)[C@@H](C2)C3=O 587436024 MDCLROWTAQTCBC-SBUREZEXSA-N 397.434 4.202 0 1 GIAF Nc1c(-c2nc3c(Cl)c(Br)cnc3[nH]2)cnc2c(F)cccc12 587176753 QORJJGPEGWOMFH-UHFFFAOYSA-N 392.619 4.310 0 1 GIAF CCOC(=O)[C@@H](Cc1cccc(C)c1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399793 MFPXCLUTFMVACD-WZONZLPQSA-N 381.472 4.032 0 1 GIAF CCCOc1cc2nc(-c3cccc(NC(N)=O)c3)[nH]c2cc1Br 587241887 KILGCAPHUBCKNL-UHFFFAOYSA-N 389.253 4.272 0 1 GIAF Cc1ccn2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c(C)nc2c1 587775888 URZGEMFPBAFXDA-ADLMAVQZSA-N 388.284 4.476 0 1 GIAF C=CC(=O)NC(C)(C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332953 FCCJRVMSYVIPDH-REWPJTCUSA-N 397.446 4.120 0 1 GIAF COc1ccc([C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1OC(F)(F)F 963582124 PGGVHSNLDOIVCC-NSPYISDASA-N 397.393 4.235 0 1 GIAF CC[C@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963638585 UHCZNBDORKMVFK-QKFKETGDSA-N 380.488 4.089 0 1 GIAF CN1C(=O)C[C@H]2CN[C@@H](c3c[nH]c4ccc(Br)cc34)c3cccc1c32 963037743 VWZICXARJGCUOU-PRWKNARSSA-N 396.288 4.073 0 1 GIAF C[C@@H](CCc1ccco1)NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2 5006000 LQANTUFIIQGLOX-INIZCTEOSA-N 380.488 4.319 0 3 GIAF O=C(CSc1nc2ccccc2s1)Nc1cc(C(=O)O)ccc1Cl 13356439 VSVYRWKXAYDDMF-UHFFFAOYSA-N 378.862 4.379 0 1 GIAF Cc1cc(=O)c(Oc2ccc(F)c(F)c2)c(-c2ccc(S(C)(=O)=O)cc2)o1 13581209 BZZAGRLRLWESCS-UHFFFAOYSA-N 392.379 4.089 0 1 GIAF CC1(C)C=C(n2ccccc2=O)c2cc(OCC(=O)c3ccccc3)ccc2O1 13795411 HGSIEVFPZFUAMN-UHFFFAOYSA-N 387.435 4.170 0 1 GIAF CCN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(OC)c(O)c13 13797328 FMNRIXJRUJNSBN-HCYUJWNOSA-N 388.511 4.185 0 1 GIAF Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C(C)C)cc(-n2nc(C)nc2C)n1 205287425 DWTFCILONBADQH-IAGOWNOFSA-N 387.491 4.184 0 1 GIAF O=C(Nc1nc2ccccn2c1C(=O)NC1CCCCC1)c1ccccc1Cl 1857586940 NXYBRTHEIMDCNA-UHFFFAOYSA-N 396.878 4.303 0 1 GIAF COC(=O)c1ccccc1NCc1ccc(C(=O)Nc2nc(C)cs2)cc1 1857649858 TZPVKYRYMPBIAR-UHFFFAOYSA-N 381.457 4.103 0 1 GIAF O=C(Nc1ccccc1)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1 219496708 NUCQZKYHLIAKQG-UHFFFAOYSA-N 375.344 4.127 0 1 GIAF O=C1N(Cc2ccccc2)C[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1 6580651 GPADBRIUIALHNW-DNQXCXABSA-N 386.495 4.097 0 1 GIAF CCCCc1ccc2c(C(F)(F)F)c(OC)ccc2c1C(=O)N(C)CC(=O)O 13823584 MPMHPSNOOKYLPA-UHFFFAOYSA-N 397.393 4.366 0 1 GIAF CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 26655155 CGYZFWRQCWHXOQ-UDKICSLYSA-N 390.612 4.184 0 1 GIAF CCOC(=O)C1=CN(C(=O)Oc2ccccc2)C=C[C@H]1c1ccccc1OC 28649388 ARVLBNCGYZTGLR-KRWDZBQOSA-N 379.412 4.254 0 1 GIAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)C(=O)N3CCC[C@H]3C2)cc1 28949777 NFGKYXUHHNKSTQ-KRWDZBQOSA-N 379.456 4.018 0 1 GIAF COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCCCC3)[C@@H]2C)OCO4)c1O 31861159 NTGCRYUQXNVBHI-ZGFCVWDJSA-N 397.471 4.102 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C=C[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 33820854 KHMDWPNMFSMERZ-BSWAIDMHSA-N 390.564 4.254 0 1 GIAF COC(=O)C[C@@H]1c2ccccc2[C@@H](Cc2ccc(OC)cc2)[C@@H](C)N1C(=O)OC 36387496 LPMQDEGGQDLASL-GQWLDOHISA-N 397.471 4.096 0 1 GIAF C[C@@H](Cc1nc2c(NCC3CC3)ncnc2n1C[C@@H]1CCCO1)c1ccccc1 82185146 DBHGQYXXFSCTDI-LPHOPBHVSA-N 391.519 4.173 0 1 GIAF Cc1cccc(O)c1[C@H](CC(=O)N1C[C@@H](C)C[C@@H](C)C1)c1ccc2c(c1)OCO2 95598115 WICRMNZBKVGVSE-JTDSTZFVSA-N 395.499 4.456 0 1 GIAF CC[C@@]1(C(=O)NCCc2ccc(Br)cc2)[C@@H](C)C1(Cl)Cl 103272535 RIDBZEQVJVKESF-YGRLFVJLSA-N 379.125 4.328 0 1 GIAF Cc1cc(NC[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)ncc1F 117307101 PPPKSFAIKFKFSX-FZNQNYSPSA-N 390.890 4.287 0 1 GIAF CCOC(=O)c1c[nH]c2cc(Oc3ccc(OC(F)(F)F)cc3)ccc2c1=O 169323682 LXRDDHRDWDRKLF-UHFFFAOYSA-N 393.317 4.396 0 1 GIAF O=C1N=Nc2nc(CNCCc3cccc(C(F)(F)F)c3)nc3cccc1c23 169710144 VQLYYXMHNVGPFP-UHFFFAOYSA-N 385.349 4.218 0 1 GIAF O=S(=O)(Nc1nccnc1Nc1cc(Cl)ccc1Cl)c1ccccc1 299820972 IYNHGWNRUHUVGR-UHFFFAOYSA-N 395.271 4.328 0 1 GIAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(C)cc(C)c2[nH]1 586980343 PLPYKZXSUNFGAT-UHFFFAOYSA-N 389.249 4.342 0 1 GIAF COc1cncc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c12 587138396 HJLPVZCEGDAVDH-UHFFFAOYSA-N 381.338 4.277 0 1 GIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)c(F)c1 587145506 XXNBPNIXKKOUNN-UHFFFAOYSA-N 382.782 4.438 0 1 GIAF Cn1ccc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342931 QSCQIJHRRKJHSD-JTHBVZDNSA-N 377.415 4.461 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cc(F)cc(Br)c1)[C@@H](C2)C3=O 587427010 FXEDHVNACMEAQJ-KBXCAEBGSA-N 377.209 4.260 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(F)ccc(Br)c1F)[C@@H](C2)C3=O 587427767 VDEZRKWFJHNTHC-XYZCENFISA-N 381.172 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(Cc4ccc(C)cc4)c1C)[C@@H](C2)C3=O 587431340 JUXDCNVMQFFKHW-YADARESESA-N 388.467 4.354 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccccc4)Oc4ccccc41)[C@@H](C2)C3=O 587452084 CZRHHDARVDBGLE-XYURVEJXSA-N 398.414 4.041 0 1 GIAF Cn1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1-c1ccccc1 587578414 ACNZLRDFATZELL-YKSBVNFPSA-N 398.418 4.496 0 1 GIAF CC[C@]1(c2ccc(O)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594619 OZGFJNLTVWCUTB-NZQKXSOJSA-N 392.407 4.374 0 1 GIAF CC(=O)c1c(-c2ccc(Br)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648771 LAEGEYJPVLXMMU-UHFFFAOYSA-N 392.274 4.204 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cnn2CCF)N1 587716917 KJOMMUPAGQZKDY-RMLUDKJBSA-N 390.659 4.031 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C)N[C@@H]3CCCC[C@H]32)N1 587792314 IDNHAVRAXZBLHQ-DGWFZBNJSA-N 381.333 4.258 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(C(=O)O)C3(C)C)N1 587825466 DSNYMPOKHZHACI-NXRORBGOSA-N 396.300 4.229 0 1 GIAF O=C(c1cn2cc(Br)ccc2n1)n1nc2cc1Oc1ccc(F)cc1-2 587871751 BADCBGIGWWWDOW-UHFFFAOYSA-N 399.179 3.894 0 1 GIAF COc1ccc([C@H]2CC(c3ccc(-n4cccc4)cc3)=NN2C(C)=O)c(OC)c1 653791862 GFFJAXHRKZFPGM-JOCHJYFZSA-N 389.455 4.192 0 1 GIAF COc1cc2c(cc1OC)[C@@]1(CCCc3c1ccc(OC)c3OC)N(C)[C@@H](C)C2 962640800 RWWKNTDBVDOQSH-OWJWWREXSA-N 397.515 4.177 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](Cc2ccc(F)c(F)c2)(c2ccccc2)N1 962900484 RCHXDOPSGJMEHK-NZQKXSOJSA-N 397.396 4.189 0 1 GIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2cccc(Oc3ccc(O)cc3)c2)N1 962917521 ZRLWVTKNADWCKF-LEWJYISDSA-N 379.387 4.012 0 1 GIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2ccccc2)C(=O)OC)cc1 1772651584 UHIGBJXIBGOGHP-VGOFRKELSA-N 383.488 4.075 0 1 GIAF Cc1cc(NC(=O)Cc2nnc(-c3ccccc3)s2)n(C2CCCCC2)n1 1857603119 WIPPBNJCZKLWHN-UHFFFAOYSA-N 381.505 4.396 0 1 GIAF COCc1ccc(C(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)o1 11662654 OHIMIXUWTWBDBR-AWEZNQCLSA-N 375.852 4.123 0 3 GIAF CSc1ccccc1NC(=O)[C@]1(C)CCN1C(=O)Cc1ccccc1Cl 61928893 FQCKGCUXIPWSLV-FQEVSTJZSA-N 388.920 4.234 0 3 GIAF Fc1ccc(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c(Cl)c1 95598891 XEDSSSZOTSUILN-UHFFFAOYSA-N 396.897 4.182 0 3 GIAF O=C1CN(C(=O)Cc2ccccc2)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2494116 DPPVPRBCFGWIQE-HSZRJFAPSA-N 392.405 4.078 0 1 GIAF C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N1CCCC1 27564354 DDLRMRGCBDJYBI-AWEZNQCLSA-N 386.879 4.058 0 1 GIAF CCCCCc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@H](C(=O)O)CO3)cc1 28012426 OMZOJDVVRPSXSI-AIGDTVQASA-N 395.455 4.296 0 1 GIAF CN(C)[C@@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)C1 28118951 RMUJYXNEWDVEQS-JOCHJYFZSA-N 386.499 4.141 0 1 GIAF COc1ccc([C@H](c2ccc(O)cc2O)c2ccc(C(C)C)cc(=O)c2O)cc1 28220877 SKQSOPFZSAXHRC-HSZRJFAPSA-N 392.451 4.476 0 1 GIAF C[C@H](CNCC(=O)O)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40575791 AKSZCKNBEJCUHG-RMUAWILASA-N 389.580 4.237 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](Cc1cccc(CN3CCCCC3)c1)C2 40900851 DDWFGGYILGYLLT-HXUWFJFHSA-N 379.500 4.287 0 1 GIAF Cc1c(Cl)cccc1CNC(=O)Cc1cnc(-c2ccc(F)cc2F)n1C 72108972 WRPHYPFMMUAFAX-UHFFFAOYSA-N 389.833 4.186 0 1 GIAF Cc1csc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)n1 101704550 POHQXGUUOCVURL-MAEOIBBWSA-N 395.532 4.291 0 1 GIAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)cc21 143424407 POUWUJXCEJOXTK-QGZVFWFLSA-N 397.450 4.159 0 1 GIAF O=C(OC/C=C/c1ccccc1)C1=CN=C[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)cc1 169727734 HGYLJEUCJOQPCM-UYLUUYTCSA-N 395.842 4.349 0 1 GIAF O=C(CNCCC1(O)CCCCC1)N1CCc2ccccc2[C@H]1C1CCCCC1 201381689 DQXPGBCEZJBXIH-XMMPIXPASA-N 398.591 4.368 0 1 GIAF Nc1cnc(-c2ccc(-c3ccccc3Sc3cc(N)ncn3)cc2F)cn1 224779978 JEYXQRTYKSTOJM-UHFFFAOYSA-N 390.447 4.055 0 1 GIAF CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23C=CCC[C@@H]2[C@@]1(C(=O)CCC)OC3=O 238767012 IRKACHWWOSXIEC-KISOIRADSA-N 396.483 4.181 0 1 GIAF O=C(CCc1ccc(-c2ccc(CO)cc2)cc1)Nc1ccccc1C(=O)O 473107195 HTNFBPNFXMWONU-UHFFFAOYSA-N 375.424 4.115 0 1 GIAF CC[C@@H]1OCCC[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 586912844 PMNSDVQRKAEZJY-APPZFPTMSA-N 389.091 4.156 0 1 GIAF O=[S@@](CCCc1nc2cc(Cl)cnc2[nH]1)c1ccc(Br)cc1 586961777 XPCAGOXRCIBWMP-QFIPXVFZSA-N 398.713 4.114 0 1 GIAF O=C1CSc2ccc(-c3nc4cc(Br)c(F)cc4[nH]3)cc2N1 587044592 ZOAHCFWMMVEHCB-UHFFFAOYSA-N 378.226 4.176 0 1 GIAF COC(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2c1OC 587076681 YUYLCKAJBAIROD-UHFFFAOYSA-N 396.834 4.173 0 1 GIAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2nc(C(F)(F)F)ncc2[nH]1 587076767 NHFLSHHHVZGQHJ-UHFFFAOYSA-N 391.740 4.460 0 1 GIAF CN(C)C(=O)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587077120 QFLYUTDXUCEYIQ-LJQANCHMSA-N 382.895 4.255 0 1 GIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)cnc2[nH]1 587078831 BZSXGZGFOHEBSI-GFCCVEGCSA-N 379.773 4.354 0 1 GIAF Cn1cc(-c2nc3ccc(I)cc3[nH]2)c(C(F)(F)F)c1 587111655 GSMVOOKSINTSCB-UHFFFAOYSA-N 391.134 4.192 0 1 GIAF Fc1cc(Br)cnc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587154892 FOSXVHQOQDRULM-UHFFFAOYSA-N 376.107 4.425 0 1 GIAF CC(=O)N[C@H](Cc1nc2cc(C)cc(Br)c2[nH]1)c1ccc(C)cc1 587205826 FYXBSRRXYATIRB-MRXNPFEDSA-N 386.293 4.362 0 1 GIAF O=C(c1coc2ccccc12)C1CCN(c2nccc(C(F)(F)F)n2)CC1 587280999 NLKYFAHEGAJRPE-UHFFFAOYSA-N 375.350 4.341 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](C(F)(F)C(=O)OCC)C1)CC2=O 587463342 XJMUROTYJKRXBP-BLVKFPJESA-N 382.403 4.047 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC2=O 587471605 ULNJZFPACONNJB-QFBILLFUSA-N 391.508 4.475 0 1 GIAF COc1cc2c(cc1F)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572304 RTFNGGSSIHMQII-NZQKXSOJSA-N 392.382 4.343 0 1 GIAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cc1C 587649221 MJAAQOZDOFFUBD-UHFFFAOYSA-N 395.402 4.438 0 1 GIAF Cc1cc(Cl)ccc1NC(=O)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 587650191 ZCHFPXVKSLBGAO-UHFFFAOYSA-N 376.865 4.094 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(C2CC2)N1 587774739 XFNIUIIWQZZVOI-CWTRNNRKSA-N 375.285 4.365 0 1 GIAF CCC(=O)OC1=C(C)OC=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587829746 CERBZARLSQFTCS-YPMLDQLKSA-N 396.256 4.046 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)O)cs2)N1 587846503 HYRIAEIICANNCK-BCTVWOGZSA-N 384.270 4.146 0 1 GIAF CCOC(=O)Cc1ccc([C@@]2(C)N[C@@H](CC)Cc3c2[nH]c2ccccc32)cc1 962962584 YBZZAEFRWXNQOV-MHECFPHRSA-N 376.500 4.461 0 1 GIAF Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc(C(F)(F)F)c1 963226363 LPWNZOVRGWOMMX-RTBURBONSA-N 386.373 4.250 0 1 GIAF COc1cc(Br)cc([C@H]2NCC(C)(C)c3ccc4c(c32)OCO4)c1 963391615 VQPKIHRGRUTZGN-QGZVFWFLSA-N 390.277 4.157 0 1 GIAF C[C@@H]1CCCC[C@@H]1NC(=O)NCCCc1nnc(C2CC2)n1-c1ccc(F)cc1 1911577183 KEJFUTRFDWQQAX-BEFAXECRSA-N 399.514 4.094 0 1 GIAF COc1cccc2c(C=CC(=O)NC=Cc3cn(C)c4ccccc34)cn(C)c12 2356334080 YZBZTBDDEYRBSI-UHFFFAOYSA-N 385.467 4.479 0 1 GIAF CC(=C[C@H](O)CC(C)=CCCc1ccoc1)CC[C@@H](O)[C@@]1(C)CCC(=O)O1 2356401061 RUOCTYFLHGRTMP-KCZVDYSFSA-N 376.493 4.093 0 1 GIAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1 775045 NUZURGYJZYBUCN-KBXCAEBGSA-N 382.435 4.285 0 1 GIAF CC(=O)OC/C(=C\C(=O)O)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(CO)=CCC[C@H]12 13484087 QLAXVEYAEFYWTR-GSYLYOEOSA-N 378.509 4.112 0 1 GIAF CSc1ccccc1OC[C@@H](O)CNC(C)(C)Cc1c[nH]c2ccccc12 26736095 HIXJMGDWOJBHFM-KRWDZBQOSA-N 384.545 4.240 0 1 GIAF C[C@H]1CN(c2cccc([C@H](C)NC(=O)/C=C/c3ccc(F)cc3)c2)C[C@@H](C)O1 26743336 SJGNGOUFWLNZRG-UKTQYWDJSA-N 382.479 4.330 0 1 GIAF CC[C@H](C)N(C[C@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@@H](C)CC 27657380 YNGZJSALRCLELM-FVCZOJIISA-N 380.960 4.091 0 1 GIAF COc1ccc2[nH]cc(C3=CCN(C[C@@H]4C[C@@H]4C(=O)c4ccccc4)CC3)c2n1 45193065 RHFHJKYBOJRHMS-OALUTQOASA-N 387.483 4.180 0 1 GIAF CCOC(=O)c1c(N)oc2c1c(Sc1ccc(O)cc1)c(O)c1ncccc12 66066410 MRNAPBIZGVJXIK-UHFFFAOYSA-N 396.424 4.302 0 1 GIAF COc1ccc2cc([C@@H]3CC(=O)N3c3cc(OC)c(OC)c(OC)c3)ccc2c1 66258375 WSENLUVSKPYZHG-IBGZPJMESA-N 393.439 4.352 0 1 GIAF O[C@@H]1CN(CC2CCCCC2)[C@H](c2ccccc2)C[C@@H]1n1cc(C2CC2)nn1 72105239 RPLSDUZTQXIMPH-RJGXRXQPSA-N 380.536 4.085 0 1 GIAF O[C@H](CCN1CCC(O)(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 84670324 JZHYJRPFUZJBQH-HXUWFJFHSA-N 394.342 4.487 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4Cl)ccc31)[C@@H]1CC[C@@H](C2)N1 100632942 DCRNVIQIHXGGBH-LRDDRELGSA-N 386.904 4.014 0 1 GIAF O=C(Nc1cccc2[nH]ncc12)c1cc(N(CC2CC2)C2CCCCC2)ncn1 142387895 QHPLWPHENNFIPR-UHFFFAOYSA-N 390.491 4.154 0 1 GIAF Cc1cc(-c2cc(Cc3cc(F)cc(C(F)(F)F)c3)nn2C)ccc1C(N)=O 199542976 DIWBGPZKWMTJDG-UHFFFAOYSA-N 391.368 4.243 0 1 GIAF Cc1ccc(F)c([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)c1 221064619 AZLNLVTVQHHULX-UOXRKKOCSA-N 392.446 4.447 0 1 GIAF C[C@H](c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccncc3)nc21 222095190 DPAWGWHSNRTNEP-GFCCVEGCSA-N 388.381 4.324 0 1 GIAF CCOC(=O)[C@@H]1C[C@@H](C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992114 NWVOFVZGEZKBMQ-BLLLJJGKSA-N 387.435 4.381 0 1 GIAF O=C(Nc1nc(Cc2nc3c(F)cnc(Cl)c3[nH]2)cs1)c1cccs1 587019845 QRJSCWUVFJQGOL-UHFFFAOYSA-N 393.856 4.112 0 1 GIAF N[C@@H](Cc1nc2ccc(I)cc2[nH]1)c1ccccc1Cl 587057025 NDZGDUDLVAOGPP-LBPRGKRZSA-N 397.647 4.063 0 1 GIAF CCOC(=O)[C@@H](F)[C@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587104060 QTLVSLFKZDMOTE-XMHCIUCPSA-N 389.426 4.452 0 1 GIAF Cc1nc2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc2cc1Br 587234317 ZQJXPHRAUOLCOD-CMPLNLGQSA-N 395.301 4.190 0 1 GIAF CC(C)Oc1cc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2cc1Br 587249418 LWYUOZBGGPPKEH-UHFFFAOYSA-N 390.237 4.060 0 1 GIAF Cc1cnc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 587339944 REPJCDHYBGYOQF-KNQAVFIVSA-N 378.403 4.212 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](O)(C4)C3)[C@H]1c1ccc(F)cc1 587356367 PBHVDUXDFNSTDL-WESARCIESA-N 394.442 4.200 0 1 GIAF Cc1ccc(-c2nc3ncccn3c2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587394492 WICPLNLRKICLRS-IBGZPJMESA-N 384.439 4.302 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCCN1C(=O)OC(C)(C)C)CC2=O 587478483 SIYNXKKCMKOQQQ-VQIMIIECSA-N 389.492 4.468 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OCc3ccccc3)C1)CC2=O 587480983 XFHDZBHVKRCBFS-QHCPKHFHSA-N 395.455 4.091 0 1 GIAF CCn1c2ccc(C(C)=O)cc2c2cc(-c3ccc4c(O)nc(O)nc4n3)ccc21 587556748 DPXIIEJORDCYPY-UHFFFAOYSA-N 398.422 4.433 0 1 GIAF Cn1ncc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587581746 MGKOHSHGCHXWLN-NFBKMPQASA-N 386.407 4.156 0 1 GIAF Cc1ccc2nc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2c1 587587347 MKKBUTBQPOKNTH-REWPJTCUSA-N 386.407 4.225 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H]1CCOC1 587616870 NCNHQCOYHCAEDZ-GQOCTPOGSA-N 388.419 4.286 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(C(=O)O)c2)N1 587713941 DOKYGYYJHTXHHV-BCTVWOGZSA-N 382.204 4.049 0 1 GIAF CCc1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 587774758 XMCGSPBGELUBGZ-NSPYISDASA-N 388.284 4.422 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(=O)C[C@H](c3ccco3)C2)N1 587831019 VGEINMNJDYDCSB-AGMRTUQYSA-N 392.268 4.448 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](CC)n1cc(Cl)cn1 587871550 ZKSJHOGRHIIDKI-MRXNPFEDSA-N 376.819 4.229 0 1 GIAF COc1ccc([C@H](O)[C@@H](C)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 587934369 CUDNCSQBFUYLRB-XLKFXECMSA-N 396.672 4.220 0 1 GIAF CCCNc1cc(OCC)c(Br)cc1-n1c(OC)ccc1OC 587935030 AEZYLRCFKGGNHP-UHFFFAOYSA-N 383.286 4.478 0 1 GIAF COc1ccc(OC(C)(C)C)n1-c1cc2cnccc2c(Br)n1 587940652 JXVDUYLVCNKPLZ-UHFFFAOYSA-N 376.254 4.369 0 1 GIAF CC(C)CC(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O 653850850 XTPMCCMBFJVEOA-UHFFFAOYSA-N 394.450 4.022 0 1 GIAF Cc1ccnc2c1CCN[C@]21CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 963068054 JRHQOVBNRJQMDP-RDPSFJRHSA-N 393.531 4.156 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cnc(-c3cccs3)s2)N1 963229363 KMGKSLPWBVULIS-MAUKXSAKSA-N 393.493 4.108 0 1 GIAF N=c1[nH][nH]c(=NCc2c(Cl)cccc2Oc2ccc(Cl)cc2Cl)[nH]1 1857566193 KYWPENASONRUCU-UHFFFAOYSA-N 384.654 4.004 0 1 GIAF O=C1c2ccc(F)cc2C(=O)N1CCCNc1ccnc2cc(Cl)ccc12 1857635807 YPQZDTFMZYKEER-UHFFFAOYSA-N 383.810 4.126 0 1 GIAF CN1CCC(Nc2cc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3cn2)CC1 1857647152 XRYBGCXYKFDKAK-UHFFFAOYSA-N 375.398 4.150 0 1 GIAF COc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@@H]2c2ccccc2)cc1 2724208 FCKJKCCHURNIAY-QHCPKHFHSA-N 386.451 4.188 0 3 GIAF C[C@]1(C(=O)Nc2ccc3ccccc3c2)CCC(=O)N1CCOc1ccccc1 95571028 FVHGLBWADKZGMS-XMMPIXPASA-N 388.467 4.238 0 3 GIAF CC(=O)Nc1cccc(-c2nc3ccccc3n2[C@@H](C)C(=O)NC(C)(C)C)c1 199229862 SZXKHBJCQRGXKS-AWEZNQCLSA-N 378.476 4.137 0 3 GIAF COc1cc([C@H]2c3cccc4cccc(c34)[C@H]3CCC(=O)N23)cc(OC)c1O 1654635 JQULMCAJNKZANR-VGSWGCGISA-N 375.424 4.329 0 1 GIAF COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1CC(=O)Nc1ccccc1 2415773 FUOOFZYISRPLNL-FGCOXFRFSA-N 394.515 4.002 0 1 GIAF CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC 28827112 WUXDFTYUVPKGCE-UHFFFAOYSA-N 381.476 4.312 0 1 GIAF in-vitro COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@H](O)c2ccccc2-3)cc1 28955631 IJCFRIMYWFPOLM-XMMPIXPASA-N 383.447 4.429 0 1 GIAF CN(C)c1cccc(OCCCCCCN2CCN(c3ccncc3)C2=O)c1 29402277 ALTWBVPGJUGQCE-UHFFFAOYSA-N 382.508 4.029 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2cnc3cccc(-c4ccccn4)c3c2)cc1 28957617 OUYIVOXVMOHBFA-UHFFFAOYSA-N 375.453 4.335 0 1 GIAF Oc1cccc(-c2c(-c3ccncc3)nn3c(C4C[C@@H]5CC[C@H](C4)N5)ccnc23)c1 45316995 XDBBGTIPWPBPQD-YQQQUEKLSA-N 397.482 4.162 0 1 GIAF CC[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@H]1c1ccccc1 195411115 UWPNKBCSKDRBJI-LGVFNWMJSA-N 387.483 4.193 0 1 GIAF O=C(CSc1nc2c(c(=O)[nH]1)[C@H](Cc1ccccc1)CC2)c1ccccc1 82154015 JHBHSNDSMKOPRX-KRWDZBQOSA-N 376.481 4.017 0 1 GIAF COc1cc2nc(N3CCCC3)nc(NC[C@@H](C)c3ccccc3)c2cc1OC 82125754 ROLVINQFLOXKRE-MRXNPFEDSA-N 392.503 4.463 0 1 GIAF CC[C@@H]1CN(C(=O)NC2CCCCC2)CC[C@@H]1CC(=O)NCc1ccccc1 25430391 HYHJRRBOAINTCU-WOJBJXKFSA-N 385.552 4.083 0 1 GIAF biogenic COC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 96318649 JPBWDCWBMKUIAC-UHFFFAOYSA-N 375.472 4.080 0 1 GIAF Cc1nc(/C=C/[C@@H]2CC=CCCC[C@@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O2)cs1 299806968 OAXHQZGPHDPLOS-CUPXYBGKSA-N 391.533 4.099 0 1 GIAF O=C1Nc2ccccc2[C@]12ON=C(c1ccccc1)N2c1cccc(Cl)c1 653851659 QGWMBFKHMZKNPU-NRFANRHFSA-N 375.815 4.344 0 1 GIAF COc1ccnc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587336846 KOIVNJTZAPAVOF-IFMALSPDSA-N 379.387 4.209 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H]1CCC[C@@H](C(=O)O)C1)O2 587408120 MPEBOLGVCSYVPC-LPXYKDPNSA-N 379.456 4.329 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2cc(F)ccc2F)N1 587719336 PSOPLRAFBJZVRZ-BCTVWOGZSA-N 384.195 4.325 0 1 GIAF CCn1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C2CC2)n1 587765810 UIGUFWVNGDHMTE-MLCYQJTMSA-N 378.289 4.306 0 1 GIAF O=C(NCCc1cccs1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660861 HWIGXIGEKPUEAS-UHFFFAOYSA-N 393.443 4.065 0 1 GIAF CC1=C(c2ccc3nc(CCCCCCCCCCCO)[nH]c3c2)NNC(=O)C1 586894378 BUOBIHQIPDJRAQ-UHFFFAOYSA-N 398.551 4.364 0 1 GIAF Cc1nc2scc(C)n2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619050 QOIFUJUCGUHYIH-UZLBHIALSA-N 392.436 4.421 0 1 GIAF Cn1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2ccccc21 587660262 DPFVGMLMVMOLGZ-UHFFFAOYSA-N 397.409 4.383 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(O)cc2)on1 587871384 GHTAYDYFYGROJX-UHFFFAOYSA-N 393.374 4.137 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CC[C@H]1C(=O)OCC 587483166 VQKYBZLDELDSFZ-CYFREDJKSA-N 394.467 4.331 0 1 GIAF Cc1cc(C)c2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc2c1 586951230 RGZVJSMSMQHWHS-UHFFFAOYSA-N 398.532 4.112 0 1 GIAF COc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587028391 XOPGKZIMMUMRCG-UAGQMJEPSA-N 396.516 4.103 0 1 GIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(F)cc(Br)c2[nH]1 587069322 IOVRLRCTAPFGLH-SNVBAGLBSA-N 382.664 4.403 0 1 GIAF C[C@]1(c2cc(C(=O)O)co2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353201 MLIZSVGMCDGFJG-WIYYLYMNSA-N 382.343 4.097 0 1 GIAF C[C@H](CCC(=O)O)Cc1nc2cc(Br)c(Br)cc2[nH]1 587960637 LFYYCHMGXIFXQD-SSDOTTSWSA-N 390.075 4.131 0 1 GIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587240900 RHLKKKNVHSAYNZ-UHFFFAOYSA-N 395.341 4.043 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cccc(CNC(=O)OC(C)(C)C)c1)[C@@H](C2)C3=O 587433677 TYUSFZAEKWGYIM-LAUBAEHRSA-N 395.455 4.209 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1sc(-c2cccnc2)nc1C 963603984 CUSVEPURGURAEQ-XMHCIUCPSA-N 395.528 4.328 0 1 GIAF Cc1cc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cnc1C 962961287 RMYJPCYFHYWMLO-IBGZPJMESA-N 376.422 4.458 0 1 GIAF Nc1ccc2c(c1)[C@@]1(NCCc3ccc(O)cc31)c1cc(Br)ccc1-2 963327914 BHVFFPNDYIGGHW-NRFANRHFSA-N 393.284 4.155 0 1 GIAF CSC(=C[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21)SC 962909375 WZTRRKOJYVRHAT-OXJNMPFZSA-N 389.517 4.236 0 1 GIAF CC(=O)Oc1cccc([C@]2(c3ccccc3Cl)NCCc3ccc(O)cc32)c1 963351748 IRIJYYNAJDOCTF-HSZRJFAPSA-N 393.870 4.409 0 1 GIAF CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2c(c(O)cc3c2CNC3=O)C[C@@H]1O 14714654 XGUHYRYUXUVLOK-BHNVPJQESA-N 385.504 4.163 0 1 GIAF in-vivo CCOC(=O)[C@H]1CCCN([C@H](c2ccccn2)c2c(C)[nH]c3ccccc23)C1 169300795 FPXBSNFPTGKXLT-HTAPYJJXSA-N 377.488 4.236 0 3 GIAF Cc1cc(=N)[nH]c2cc(-c3ccc(OCc4cncs4)c(CN)c3)ccc12 1857588988 SHBUNLMNTXCFTE-UHFFFAOYSA-N 376.485 4.117 0 1 GIAF CCc1nnc(SCC(=O)NCc2ccccc2)c2cc3sc(C)cc3n12 1857630923 FXJDQROEJKKHOO-UHFFFAOYSA-N 396.541 4.223 0 1 GIAF CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNC3CCCCC3)cc12 4905549 LJCRGDGVLMVVOB-UHFFFAOYSA-N 378.520 4.434 0 1 GIAF Cc1cccc(NC(=O)NC2CCN(CCc3c[nH]c4ccccc34)CC2)c1 27987211 WXBRFAULXRFZPT-UHFFFAOYSA-N 376.504 4.305 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2cnc3cccc(Nc4ccccn4)c3c2)cc1 28957603 SKWCPMOBKIPLTH-UHFFFAOYSA-N 390.468 4.412 0 1 GIAF O=C(O)c1c(-c2ccc3c(c2)OCO3)c2ccccc2n(Cc2ccccc2)c1=O 29554079 IHOHLVAWAOKHJX-UHFFFAOYSA-N 399.402 4.144 0 1 GIAF COc1nc(NCCc2c(F)cccc2Cl)cc(-c2cccc(C=O)c2)n1 66104551 RADNMCGCMBSLHM-UHFFFAOYSA-N 385.826 4.412 0 1 GIAF C[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCC1CCCCC1 82070784 DEECUEDICMTPND-HNNXBMFYSA-N 386.517 4.442 0 1 GIAF Cc1cccc(Cc2ccc3ncc(-c4ccc(N5CCOCC5)cc4)n3n2)c1 82083408 ZIKXAFURDFMSQR-UHFFFAOYSA-N 384.483 4.132 0 1 GIAF CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccccc2F)n1 82151974 FTBIOGOSVSPKGE-CALCHBBNSA-N 398.526 4.493 0 1 GIAF CC[C@H](CN)[C@@H](CC)Oc1cccc2ccc(-c3nnc4ccccn34)nc12 96174979 AZSRVVPUAZTMAY-CRAIPNDOSA-N 375.476 4.087 0 1 GIAF CCOc1cc(/C=C/c2cc(SC)nc(N)n2)ccc1O[C@H]1CCCCO1 96914139 LIGSJVLTDHBDAA-XSBJJCPUSA-N 387.505 4.255 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](CCCCCCc1cccc(OC)[n+]1C)C2 96938831 KPGCCMMQFMDKQA-QGZVFWFLSA-N 398.523 4.085 0 1 GIAF N=C(NCCCCO)c1c(O)nsc1Nc1ccc(Nc2ccccc2)cc1 101101196 UIRNLZLCCMVCOZ-UHFFFAOYSA-N 397.504 4.023 0 1 GIAF Cc1sc2ncnc(N3CCC(COCC[C@@H]4CCCN4C)CC3)c2c1C 146569863 QLSXCRNEKFKMKC-SFHVURJKSA-N 388.581 4.025 0 1 GIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@H]2[C@@H](OC(C)=O)CC[C@H](C)[C@@]12C 238741649 DFIGTEZNNCEPNY-MLPFUPEOSA-N 388.460 4.319 0 1 GIAF COc1cc(-c2nc(CN3CC[C@@H]4CCCC[C@H]4C3)co2)cc(OC)c1OC 299810892 UACPQLTZPMDTMX-HOTGVXAUSA-N 386.492 4.380 0 1 GIAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cc1 586879066 DDYRLENUNBYNBT-UHFFFAOYSA-N 380.411 4.075 0 1 GIAF Cc1cnc2nc(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)[nH]c2c1 586946725 DNGPCPXUWYZXDD-UHFFFAOYSA-N 392.484 4.351 0 1 GIAF FC(F)(F)c1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cn1 587077580 XCNNTMJBUPNUGC-UHFFFAOYSA-N 393.756 4.465 0 1 GIAF OCc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587080397 CFXMSERTXUBFLV-UHFFFAOYSA-N 375.819 4.085 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587091151 FUYXOHWKIYCKDW-UHFFFAOYSA-N 395.406 4.385 0 1 GIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(Cl)nc2[nH]1 587197901 AXYKCAPJKJTHQL-UHFFFAOYSA-N 377.835 4.137 0 1 GIAF COc1cc(OC)c2[nH]c(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 587204168 JAAZEVPFWOYNLN-OAHLLOKOSA-N 377.485 4.062 0 1 GIAF COc1cc(C2CCOCC2)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587413138 QAKAMVOGGWYYPK-HXUWFJFHSA-N 397.471 4.195 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCCc4ccc(Br)cc41)[C@@H](C2)C3=O 587416607 DLUGGLWZFQAOHW-JXFKEZNVSA-N 385.257 4.437 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(C)=O)Cc3cc(F)ccc31)CC2=O 587472594 RTWVTGAYNKAMHR-QHCPKHFHSA-N 397.446 4.097 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC(=S)N(C)C)c1)CC2=O 587493051 QBAHXXRYNCCZSL-LJQANCHMSA-N 385.485 4.277 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccnc2)cc1 587574096 ANNBEDXYWIFWDN-OFNKIYASSA-N 384.391 4.281 0 1 GIAF CCOc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594699 HJDMSYIAJFDECQ-SIKLNZKXSA-N 378.380 4.199 0 1 GIAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cn(C)c2ccccc12 587632543 ZKOZQXVYYFIEDY-UHFFFAOYSA-N 384.794 4.470 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C2(C)CC2)(C(F)F)N1 587723013 URNCXGKLUHSPQE-VVVCHXIZSA-N 390.243 4.342 0 1 GIAF CC(=O)Nc1ccccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587740691 FBJXEMNFPVBZIB-NSPYISDASA-N 391.284 4.344 0 1 GIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(N)c1C 587749651 PXCICNQMLAVQRQ-OVWNDWIMSA-N 393.300 4.285 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-n3cccn3)c2)N1 587759720 MKGNGVODVBCICW-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ncccn2)N1 587776853 YQGKLIOPTJQTNQ-RNODOKPDSA-N 398.279 4.204 0 1 GIAF CCC[C@]1([C@H](C)C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795295 IJPMUWHRHACFGF-VNBZBWLYSA-N 386.305 4.317 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccc(O)c23)N1 587805234 SNCIEQZHFJPXFQ-DYBLOJMWSA-N 375.241 4.399 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cccs2)N1 587844864 CHABXGHBEMSQAF-DYZYQPBXSA-N 398.297 4.292 0 1 GIAF COc1ccccc1CC(=O)c1nc2c(Br)cc(Cl)cc2[nH]1 587929428 JQGLGTLTLLLZER-UHFFFAOYSA-N 379.641 4.413 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1cc3ncnc(Cl)c3s1)N(C)[C@H](C)C2 962561670 DQUYBFLXATXJED-QGHHPUGFSA-N 389.908 4.328 0 1 GIAF COc1cc2c(cc1OC)C(=O)C[C@@H](c1ccc(CN3CCCCC3)cc1)O2 1857657060 WXFFIKRZVNKVTP-FQEVSTJZSA-N 381.472 4.396 0 1 GIAF CC(C)c1cc(=NC2CCCCC2)[nH]nc1C(=O)NC1C2CC3CC(C2)CC1C3 1857750734 PWCUENHBQZPGMX-UHFFFAOYSA-N 396.579 4.321 0 1 GIAF COc1cccc(-c2nn(-c3cc(OC)c(OC)c(OC)c3)c3ncccc23)c1 1911573267 LAWZPEUUHWMYCB-UHFFFAOYSA-N 391.427 4.122 0 1 GIAF CC(C)[C@H](N)c1csc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)n1 61902581 KKWDPBFVYKZAFG-IBGZPJMESA-N 395.532 4.210 0 3 GIAF Cc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 61923958 XPINCFKWHIFHMC-WXFUMESZSA-N 394.563 4.393 0 3 GIAF Cc1ccsc1C(=O)N1CC[C@]1(C)C(=O)NCc1cccc2ccccc12 61930074 LFMPMFZPSNMMFY-JOCHJYFZSA-N 378.497 4.131 0 3 GIAF CCN1c2ncc(NCc3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21 6385151 ACQRUGOIBSSJOK-UHFFFAOYSA-N 393.878 4.490 0 1 GIAF Cc1ncc2cc(-c3c(Cl)cccc3Cl)c(NC(=O)N(C)C)nc2n1 27408407 SOBHEOWYDDPFBX-UHFFFAOYSA-N 376.247 4.401 0 1 GIAF COc1ccc(CCN2CCC([C@@H](O)c3nc4ccccc4s3)CC2)cc1 27863159 VCQUTTNYIIUZKX-OAQYLSRUSA-N 382.529 4.293 0 1 GIAF C[C@@H](O)c1cccc(NC(=O)NC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1 28708721 IEQMONWYNYHMBI-WVBUVRCRSA-N 397.563 4.318 0 1 GIAF Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(Oc2ccccc2)cc1 28889214 LZZDSIASSRHHCC-UHFFFAOYSA-N 399.454 4.472 0 1 GIAF Clc1cccc(N2CCN(CCCCNc3ccccn3)CC2)c1Cl 58582822 HGJYUXFMUSKRHL-UHFFFAOYSA-N 379.335 4.403 0 1 GIAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)N2CCCC2)c1 82146206 ODZQIKUGPJXFPO-HDICACEKSA-N 378.520 4.170 0 1 GIAF C[C@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CCCCC3)c1)c1ccccc1O2 100808492 NRQQLPNVSHCTCQ-XXBNENTESA-N 391.471 4.082 0 1 GIAF COc1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 102632203 MBVAUKGGLPANSV-PQBQGSLKSA-N 377.440 4.275 0 1 GIAF CCOC(=O)C1=C(CC)N=C2CCCC(O)=C2[C@H]1c1ccc(OC)c(OC)c1 103351563 KVPKMQPBGSSMOO-LJQANCHMSA-N 385.460 4.465 0 1 GIAF CC[C@@H](Nc1cc(CN2CC(C(=O)O)C2)c(F)cn1)c1ccc(Cl)c(C)c1 118401756 GVEGGTAYNLRKGK-GOSISDBHSA-N 391.874 4.262 0 1 GIAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C(C)(C)O)n1 144357682 SHJPSQWERCMJPB-UHFFFAOYSA-N 379.435 4.320 0 1 GIAF COc1ccc2cc(Cc3c(=O)[nH]c(C)c4cc(OC)c(OC)cc34)cnc2c1 169703369 HPRJMGWMBHKSSB-UHFFFAOYSA-N 390.439 4.001 0 1 GIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccs1 169715372 NVMVEZOLTCXCNY-QZTJIDSGSA-N 397.496 4.460 0 1 GIAF Clc1ccc2c(NCCNc3nccc(N4CCCCC4)n3)ccnc2c1 204938288 SKOXFPRESMCLHK-UHFFFAOYSA-N 382.899 4.193 0 1 GIAF CCC[C@H](C)[C@H](OC(=O)/C=C/c1ccccc1)[C@H](C)[C@H](O)C/C=C/C=C\C(N)=O 238741295 OJAGQZQYWOJBHT-WFPAHZEOSA-N 399.531 4.033 0 1 GIAF CCc1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)[nH]c2c1 586954283 APBPEOQVLJKWNL-UHFFFAOYSA-N 383.517 4.002 0 1 GIAF O=S(=O)(c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1)C(F)(F)F 587043514 QZPAXMQBUCAJKB-AWEZNQCLSA-N 384.404 4.246 0 1 GIAF Fc1cc(F)c(-c2nc3c(Br)ccnc3[nH]2)cc1Br 587138077 VHYCICOUSYQLDP-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c2)c1 587160243 NTTZXDOKKIVHDB-UHFFFAOYSA-N 396.443 4.448 0 1 GIAF COc1ccc(-c2nc3cc(C)cc(C)c3[nH]2)c(I)c1 587179789 GHMASCIFFLTYLX-UHFFFAOYSA-N 378.213 4.460 0 1 GIAF CC(C)[C@]1(Cn2cccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340494 HVXWGYUKPYECJX-IRLDBZIGSA-N 380.419 4.182 0 1 GIAF CCOC(=O)[C@H](CC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351888 VNLHYWJQRURBKD-LRXVAGHRSA-N 386.419 4.238 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 587356815 RMXNPPQSHDWMKR-JTHBVZDNSA-N 376.383 4.438 0 1 GIAF CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443898 QNUFJODRXFDIBI-CHJJCKIPSA-N 384.472 4.127 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCCC3)nc1F)CC2=O 587472066 PNWIKJHURSBDLU-JOCHJYFZSA-N 384.451 4.360 0 1 GIAF O=C(O)c1cc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543977 CVTNCVZNTYGZFI-XLIONFOSSA-N 396.782 4.447 0 1 GIAF CCOC(=O)[C@@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599362 XBCZPZWECMAETG-CVDCTZTESA-N 396.439 4.236 0 1 GIAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2[C@H](C(=O)O)n2cncn2)cc1 587627488 YFPXRYNXMHWJNW-LJQANCHMSA-N 380.835 4.371 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)c[nH]c3nccc2-3)N1 587729307 GVYWKOMDZGQPFL-LZVRBXCZSA-N 392.247 4.353 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C[C@@H]2CCCO2)N1 587758375 XAAUMXXCJTYNPC-SPKLELGKSA-N 393.300 4.192 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(-c3ccccc3)n2)N1 587763804 MRXMOXYKCGOXHX-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ncc[nH]2)N1 587796046 ZTMRUPPLHUWTKN-CWTRNNRKSA-N 386.268 4.137 0 1 GIAF COC[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798210 YPZQKCFAROLFDA-ORAYPTAESA-N 378.285 4.207 0 1 GIAF Cc1cc(C(=O)O)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587825677 HVGUDMVWDBZWKJ-BMLIUANNSA-N 378.241 4.218 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2/C=C/C(=O)O)N1 587829614 RMVORNMNABDOEC-XUAOIPRYSA-N 390.252 4.310 0 1 GIAF Nc1nccn2c(-c3cccc(NC(=O)c4ccc(F)c(Cl)c4)c3)cnc12 653687477 RUIXABJNJFLKBE-UHFFFAOYSA-N 381.798 4.023 0 1 GIAF O=C(O)c1cccc2c1CCN[C@]21CCCCc2cc(Br)ccc21 963118333 BYYCPZFSATVLIL-FQEVSTJZSA-N 386.289 4.263 0 1 GIAF CC(C)(C)[C@@]1(CCCCCC(=O)O)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963219254 DJZFTFDLKQZJBO-CVDCTZTESA-N 398.503 4.110 0 1 GIAF CCOC(=O)/C=C/c1ccc(OCCCCCCN2CCCC2)c(OC)c1 1772616848 NFUINQRBUABRIL-ACCUITESSA-N 375.509 4.307 0 1 GIAF O=C(NCCNc1cccc2ccccc12)C1CCN(Cc2ccccc2)CC1 1857556845 IHAVDPSKRHMHJN-UHFFFAOYSA-N 387.527 4.280 0 1 GIAF CC(C)(C)Oc1ncc(-c2nccc(Br)n2)c(OC(C)(C)C)n1 5175926 YHBNTFOOKFOMJM-UHFFFAOYSA-N 381.274 4.051 0 1 GIAF CC(=O)OC[C@]1(C)C[C@H](O)C[C@]2(C)[C@H](CC[C@@H](C)CC(=O)O)C(C)=CC[C@@H]12 13330244 GXBYKTXXIICGPG-WYNJWVBZSA-N 380.525 4.190 0 1 GIAF biogenic CC(=O)NS(=O)(=O)c1ccc(-c2ccsc2-c2ccc(F)cc2)cc1 26246937 PDEMERMKNJFNNU-UHFFFAOYSA-N 375.446 4.046 0 1 GIAF CCCOc1nc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc2o1 28522936 PHLIRSYCGJKZIV-UHFFFAOYSA-N 396.491 4.401 0 1 GIAF NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1cccnc1 36348959 NTMHCRKKNMVCAH-UHFFFAOYSA-N 376.894 4.326 0 1 GIAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)NCc3cccs3)cc2)C1 43204918 MWATVQYCLGPJBC-QFBILLFUSA-N 384.549 4.133 0 1 GIAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(NCC2CCNCC2)cc1 59856615 GSLLTWOAPTXINX-UHFFFAOYSA-N 377.536 4.070 0 1 GIAF Cc1cccc(Nc2nc(-c3ccnc(NCCN4CCOCC4)c3)cs2)c1 72112329 YYXUDXHMKVBKTP-UHFFFAOYSA-N 395.532 4.001 0 1 GIAF CC(C)CN(C)C(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 82139307 TVVOCBPIZIKNHF-IAGOWNOFSA-N 398.526 4.493 0 1 GIAF O=C(NCc1ccc(O)cc1)c1cc(C23CC4CC(CC(C4)C2)C3)c(O)cc1O 84602550 NCANGJOKCFZZLY-UHFFFAOYSA-N 393.483 4.201 0 1 GIAF COc1ccc(CCCCOC(=O)C2=C(c3ccccc3)CCN(C)C2)cc1 95596096 LXDXWQRMKTXEFD-UHFFFAOYSA-N 379.500 4.350 0 1 GIAF COc1ccc(C(=O)c2c(C)cc(OC)c(OC)c2Br)cc1OC 96929415 VFDFQUQJERRRKC-UHFFFAOYSA-N 395.249 4.023 0 1 GIAF O[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 113133260 LOMZUAFMSBAHAU-OKILXGFUSA-N 392.381 4.010 0 1 GIAF Cc1ccc(CCCC(=O)c2ccc(COC[C@@](C)(N)CO)c(Cl)c2)cc1 138248136 NXWOUDWIYRMYAX-QFIPXVFZSA-N 389.923 4.080 0 1 GIAF O=C(c1nc2ccccc2[nH]1)N1CCC(c2nccnc2-c2ccccc2)CC1 140125530 PYLSMOIPCUHVRT-UHFFFAOYSA-N 383.455 4.040 0 1 GIAF O=C(O)c1ccc(-c2ccc(C(=O)O)c3oc4c(C(=O)O)cccc4c23)cc1 140191999 QKEMFSKNGDUNRV-UHFFFAOYSA-N 376.320 4.348 0 1 GIAF c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(C3CCCCC3)no2)n1 164729414 MLOQUQJOZFEOBG-UHFFFAOYSA-N 379.468 4.469 0 1 GIAF CC(=O)Oc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@@H](C)N)cc1 165022501 IRDQECODCUWLBM-LLVKDONJSA-N 378.453 4.355 0 1 GIAF COc1ccccc1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1 166324836 IOTMKWLJDLAOGM-HOTGVXAUSA-N 383.341 4.406 0 1 GIAF CCOc1cccc([C@]2(N3CCN(c4cccnc4)CC3)[C@H]3C[C@H](C)C[C@H]32)c1 261087127 CUKMJOAAPROTTA-UUBVPWINSA-N 377.532 4.174 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2c(Cl)ccnc2[nH]1 587004727 YHCWHCSKENFGGF-LBPRGKRZSA-N 390.672 4.098 0 1 GIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Br)cncc3[nH]2)s1 587023594 QUJMWIJKIPXXEP-UHFFFAOYSA-N 396.270 4.191 0 1 GIAF N[C@H](Cc1nc2cccc(I)c2[nH]1)c1ccccc1Cl 587055269 ACNAVJZPKQLEOA-GFCCVEGCSA-N 397.647 4.063 0 1 GIAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(=N)[nH]cc2[nH]1 587086350 GTGUFDPYBFUICY-VOTSOKGWSA-N 399.285 4.401 0 1 GIAF N[C@@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Br)cc1F 587142847 NRWIZZJPLZHVRQ-LBPRGKRZSA-N 386.627 4.500 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)C1CCCC1 587227285 XYYNYDRXPTYRLB-GOSISDBHSA-N 387.480 4.480 0 1 GIAF CCOC(=O)[C@@]1(c2cccc3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444212 YMDSTWBPMHICFK-DVECYGJZSA-N 388.419 4.054 0 1 GIAF COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1cc(C)cc(C)c1)[C@@H](C2)C3=O 587447605 TWUJYLBRWKTNRM-MBSDFSHPSA-N 380.440 4.210 0 1 GIAF Cc1ccc2nc(C)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 587588744 RYLKJWVXXMGVSY-XXBNENTESA-N 386.407 4.360 0 1 GIAF Cc1ccc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)c(Cl)c1 587648579 BSHMDQMZCRHLEG-UHFFFAOYSA-N 376.865 4.094 0 1 GIAF O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1cccc(Br)c1 587655231 XSWDGNUVTYABOG-UHFFFAOYSA-N 394.681 4.058 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc[nH]c2)(C(F)(F)F)N1 587711389 XAQREHGLMFRZHQ-XLKFXECMSA-N 377.179 4.256 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CN(C)C)c2)N1 587741486 NMSBOEXNSXRSTN-BUXKBTBVSA-N 377.301 4.273 0 1 GIAF CCCn1nc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587756002 JCDKRDQQNYBNNB-MLCYQJTMSA-N 380.305 4.435 0 1 GIAF COc1cc(OC)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587809107 POVAKPRFLALCRB-YPMLDQLKSA-N 380.257 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(=O)C[C@@H](c3ccco3)C2)N1 587831020 VGEINMNJDYDCSB-MJCKAROISA-N 392.268 4.448 0 1 GIAF Cc1cccc2c1OCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587834224 KFPBQVQYCCKXFO-BUXKBTBVSA-N 376.269 4.457 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)N1CCCC1 587858824 BSRQPIZCVTZNBQ-GFCCVEGCSA-N 382.291 4.380 0 1 GIAF COc1cc2c(cc1OC)C1(CCN(OCc3ccccc3)CC1)N(C)[C@@H](C)C2 962635929 VDCPFVXAFRIKGH-SFHVURJKSA-N 396.531 4.003 0 1 GIAF O=C1C[C@H](C2CC2)C[C@@]2(C1)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962636910 JKICTMFGVLVKRK-POGFHVCPSA-N 386.539 4.408 0 1 GIAF CC(C)c1nn(C)c2c1[C@@H](C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)NCC2 962920552 NEONIHNWJGVIAT-ZBFHGGJFSA-N 378.561 4.060 0 1 GIAF CCCCN1C(=O)[C@H]([C@]2(C)NCCc3c2sc(C)c3C)C(=O)c2ccccc21 963007271 HTQDYLULHXSRTE-XXBNENTESA-N 396.556 4.372 0 1 GIAF CCOC(=O)COc1ccccc1[C@@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963113043 YUEGBTVNJIKVRT-WZONZLPQSA-N 383.463 4.052 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2ncc(-c3ccccc3)s2)N1 963240127 YADPCRVIQOGEOQ-AZUAARDMSA-N 387.464 4.047 0 1 GIAF C/N=c1\[nH]c2cnc(Nc3ccc(Oc4ccccc4)cc3)cc2n1CCOC 82081967 KHDSMXPUAOPKOX-UHFFFAOYSA-N 389.459 4.077 0 3 GIAF O[C@@H](CN1CCC2(CCc3ccccc32)CC1)c1cccc(Br)c1 13766746 DXHPZDGAIGSHFQ-FQEVSTJZSA-N 386.333 4.463 0 1 GIAF CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cccc(C)c2[C@H]1O3 26152789 BLDNOAIVFGARLP-JOCHJYFZSA-N 376.456 4.411 0 1 GIAF Cc1noc(-c2ncn3c2CN=C(c2ccccc2Cl)c2ccccc2-3)n1 26380639 MEYFEBOOKOXEQG-UHFFFAOYSA-N 375.819 4.235 0 1 GIAF CCCSC[C@@](O)(C(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 28107932 TUDSGNCTYBISHU-GFCCVEGCSA-N 376.227 4.369 0 1 GIAF COc1ccc(CN2CCC(Nc3n[nH]c4ccc(Cl)cc34)CC2)c(F)c1 28529507 PXIJXXJEUFOZGZ-UHFFFAOYSA-N 388.874 4.441 0 1 GIAF COc1ccc2c(C)cc(N[C@H]3CCC[C@H](NCc4cn(C)nc4C)C3)nc2c1 28951079 FUHCJLMTRASJAW-OALUTQOASA-N 393.535 4.107 0 1 GIAF O=C1OC2(CCC(C(=O)Nc3cnc(-c4ccccc4)cn3)CC2)c2ccccc21 34023580 PAKZAKJEQWGGBZ-UHFFFAOYSA-N 399.450 4.338 0 1 GIAF CCN1CC[C@]23C[C@H]4Nc5ccccc5[C@@H]4C[C@H]2[C@H]1Cc1ccc(OC)c(O)c13 58648789 MGSQVKPJFDAIBR-PZHWCQRWSA-N 390.527 4.277 0 1 GIAF CC[C@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(F)cc1 82140912 WOELPXYAWAVPSG-JYJNAYRXSA-N 384.499 4.293 0 1 GIAF CC1(C)C=Cc2cc(CN(C3CCC3)S(=O)(=O)c3ccccn3)ccc2O1 95552822 RDHRAJMZQMVUKQ-UHFFFAOYSA-N 384.501 4.009 0 1 GIAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4cccs4)n3)ccc21 95755366 SYAJZKQCAKBPGV-UHFFFAOYSA-N 383.498 4.423 0 1 GIAF CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccnc4)cc3)cc2)CC1 96273163 JODWAKUMHSELQZ-UHFFFAOYSA-N 386.499 4.143 0 1 GIAF Cc1ccc(C)c(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1 103291355 GEPHIDPYBPBJPM-UHFFFAOYSA-N 375.472 4.229 0 1 GIAF COc1cc2c(Nc3ccc(Cl)cc3)nnnc2cc1OCCCCl 118202979 OOPQHYBLFFBVIN-UHFFFAOYSA-N 379.247 4.438 0 1 GIAF Cc1ccc(-c2noc([C@@H]3CC3(F)F)n2)cc1NC(=O)c1cnc2ccccn12 206105924 HAJVNPLYVSZWRG-ZDUSSCGKSA-N 395.369 4.068 0 1 GIAF COc1ccc(/C=C(/C(=O)Nc2c(C)noc2C)c2ccc(OC)cc2)cc1 473094053 VKZAULDFWSZIHD-DEDYPNTBSA-N 378.428 4.488 0 1 GIAF CCOC(=O)c1csc2nc(-c3ccc(NC(=O)c4ccco4)cc3)cn12 473114423 NQHGJFQVVXGMPP-UHFFFAOYSA-N 381.413 4.085 0 1 GIAF O=C(O)/C=C/c1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586878725 HDIJDLWTQYMSBZ-AATRIKPKSA-N 383.276 4.377 0 1 GIAF Cc1ccc(-n2ccnc2SCc2nc3ccc(C(=O)O)cc3[nH]2)c(C)c1 586966851 SYRXUXQRVVDWCE-UHFFFAOYSA-N 378.457 4.356 0 1 GIAF Fc1cc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2cc1C(F)(F)F 586967233 RIDUBXOOAJXHSL-UHFFFAOYSA-N 395.341 4.458 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587043934 VCCSBYDZYBWPJA-GFCCVEGCSA-N 375.391 4.341 0 1 GIAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc5c(c4[nH]3)CCCC5)n2)cc1 587113782 LHIGLAQSYBSEGR-UHFFFAOYSA-N 398.392 4.162 0 1 GIAF CS(=O)(=O)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587150817 SZWKCXKHILBYFZ-HXUWFJFHSA-N 395.459 4.307 0 1 GIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(F)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587238404 DAYOIJIVMZIREL-QTPGKHNVSA-N 389.471 4.257 0 1 GIAF C=CC(=O)Nc1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 587243348 CDIQSLUTQRLPJW-UHFFFAOYSA-N 382.292 4.404 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccccc1C(=O)O)O2 587385129 RKWOQEWZIUCMMW-HSZRJFAPSA-N 391.398 4.324 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1c(-c4ccccc4)nn(C)c1Cl)[C@@H](C2)C3=O 587420508 IJXLBAGMUUTFLR-NYHFZMIOSA-N 394.858 4.412 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c1cnn3-c1ccccn1)CC2=O 587482000 YMRNAKMCQKDQPU-QHCPKHFHSA-N 389.455 4.122 0 1 GIAF Cc1[nH]c2ccccc2c1[C@]1(C(=O)O)CC(=O)c2ccc3c(c2O1)CCCC3 587523160 HDEOSSKUWGGELA-QHCPKHFHSA-N 375.424 4.300 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccnc2)cc1 587574092 ANNBEDXYWIFWDN-NFBKMPQASA-N 384.391 4.281 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)c(O)cc12 587574134 ZCPBTRLWAKQOJH-KNQAVFIVSA-N 378.355 4.040 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ncc[nH]1 587591372 VLZGUIYEDQSOMR-AUSIDOKSSA-N 384.391 4.021 0 1 GIAF CCOC(=O)C1(C)CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587598423 UQQVVJKZLFWYDM-WDGBRCNXSA-N 396.439 4.236 0 1 GIAF O=C(O)C1CC2(CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 587611245 RQXFSVSUJYFHTF-HDFQJXQBSA-N 394.423 4.148 0 1 GIAF O=C(CCc1ccccc1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658590 PMSRVSOBHTVSLQ-UHFFFAOYSA-N 388.398 4.181 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ncon3)cc2)N1 587794631 NKGBWEKDVNMXBC-QGHHPUGFSA-N 388.240 4.262 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cl)cn1 587860644 BCBRPYPPDNCHBJ-UHFFFAOYSA-N 381.741 4.314 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Cl)c(C(=O)O)c1 587866638 HUNOWZVYXGHBPP-UHFFFAOYSA-N 397.740 4.313 0 1 GIAF COc1ccc(/C=C\Cc2nc3cc(Br)c(C)nc3[nH]2)c(OC)c1 587929051 LASAHJVPNYLKST-PLNGDYQASA-N 388.265 4.302 0 1 GIAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](C2CCC(F)(F)CC2)N1 962645059 UFIWWXVSRZIWJU-UONOGXRCSA-N 379.325 4.051 0 1 GIAF CC(C)Nc1ncc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cn1 962645867 RZHYCDGGAPYFNA-VWNXMTODSA-N 399.542 4.133 0 1 GIAF CC(C)Oc1ccc([C@@]2(CCCCC(=O)O)NCCc3ccc(O)cc32)cc1 963329708 RJPRDEVKRSJMIT-HSZRJFAPSA-N 383.488 4.214 0 1 GIAF CC(=O)Oc1ccccc1[C@@]1(c2c(C)cccc2C)NCCc2ccc(O)cc21 963341640 OCBMNTVNBYFPQN-RUZDIDTESA-N 387.479 4.372 0 1 GIAF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H](C(=O)O)CC[C@]21C 1772579539 ZUBPEWQDWWXOAQ-HDGLCBDFSA-N 378.553 4.088 0 1 GIAF O=S(=O)(c1ccc(Cl)cc1)N1N=C2CCC[C@@H]2[C@@H]1c1ccc(F)cc1 1857573748 MUTKWCOAWULTEF-WMZOPIPTSA-N 378.856 4.381 0 1 GIAF c1ccc(CC[C@H]2CCCN(CCN[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1 1857584624 BRUSHJCBLNVXBK-CLJLJLNGSA-N 391.603 4.195 0 1 GIAF Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)nn1C 15072921 SETHRHYPFROKGS-IBGZPJMESA-N 391.519 4.019 0 3 GIAF O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(F)cc1)O[C@H](CCc1ccccc1)C2 95571467 YDXIAANOZDDBCX-VQIMIIECSA-N 382.460 4.235 0 3 GIAF O=C(N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1)C1CCC1 206039975 URRTWVYTUAWQAY-HXKBJWFLSA-N 394.559 4.085 0 3 GIAF COc1ccc(Nc2ncc(C(=O)NCc3ccccn3)c3ccccc23)cc1 4734264 CNNHPDYQHVBABU-UHFFFAOYSA-N 384.439 4.312 0 1 GIAF Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)[C@@H](C)C3)cc2)c1[C@H](C)O 58566048 VIFJNFUXJIBEDW-WMZOPIPTSA-N 390.531 4.480 0 1 GIAF CCOC(=O)[C@@H](C)Oc1ccc(N(C)c2cnc3cc(Cl)ccc3n2)cc1 29254513 SFILHAUWBPKBGG-CYBMUJFWSA-N 385.851 4.382 0 1 GIAF O=C1c2ccccc2C(=O)N1CCCCN1[C@@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2 100758053 ZFVCOZSVRXMIIP-OPAMFIHVSA-N 399.494 4.306 0 1 GIAF N[C@H](CCc1ccccc1)c1csc(NC(=O)NCCc2ccccc2)n1 61926135 XNBUIOFYNZRMFJ-GOSISDBHSA-N 380.517 4.140 0 3 GIAF COc1ccc([C@@H]2[C@H]([C@H](O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 27876300 JBUUXMRKJQWOHR-TZRRMPRUSA-N 387.479 4.393 0 1 GIAF C[C@H]1CN(c2cccc([C@H](C)NC(=O)/C=C/c3ccccc3F)c2)C[C@H](C)O1 26740379 MMTYMNYZNWKRIA-APHMGVKJSA-N 382.479 4.330 0 1 GIAF C[C@@H]1C(=O)CC[C@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)[C@H](C)C[C@H](O)[C@]12C 2356781346 BAEWDDGFBMCGCK-XRVDTVSYSA-N 398.499 4.200 0 1 GIAF O=C1N=C(NCc2ccc(Cl)cc2)N/C1=C\c1c(Cl)cccc1Cl 34072982 ALIUFDVKJOGRQH-NVNXTCNLSA-N 380.662 4.263 0 1 GIAF NCCN(Cc1ccc(Cl)c(Cl)c1)c1ccc(Br)cn1 36382087 YWEQDJUQAIRHCK-UHFFFAOYSA-N 375.097 4.116 0 1 GIAF COc1cc(-c2nc(Cn3cnc(-c4ccccc4)c3)co2)cc(OC)c1OC 72102126 XGQGQEKEKZTOQX-UHFFFAOYSA-N 391.427 4.279 0 1 GIAF CCCCNC(=O)c1ccc(CNC(=O)c2coc(-c3ccccc3C)n2)cc1 82069807 VLBDVBKXIHMZKU-UHFFFAOYSA-N 391.471 4.110 0 1 GIAF CCC[C@H](Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@@H](CC)CN 96174985 UZUNZLBTOKJXFM-LPHOPBHVSA-N 389.503 4.477 0 1 GIAF CCS(=O)(=O)Nc1ccc2[nH]c3cnc(NCc4ccccc4)cc3c2c1 95553045 ZYRAIMKOXZRCDN-UHFFFAOYSA-N 380.473 4.090 0 1 GIAF Cc1noc(C)c1-c1cnc2c(c1)nc(NC1CCOCC1)n2CC1CCCC1 653720294 XKIQFHHUYFCKPM-UHFFFAOYSA-N 395.507 4.484 0 1 GIAF O=NCc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 587191310 YEGQWLJPQITTBR-UHFFFAOYSA-N 398.591 4.149 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ncco2)N1 587773444 IMWNNSLKNMRQNO-HXPMCKFVSA-N 387.252 4.402 0 1 GIAF CC(C)[C@H](c1nc2c(Br)ccnc2[nH]1)N(C)C(=O)OC(C)(C)C 587197558 HJFMBUFRNQLUHR-GFCCVEGCSA-N 383.290 4.284 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCOCC3)cc1)CC2=O 587473774 CDHHXISQSUQXBT-QHCPKHFHSA-N 381.472 4.062 0 1 GIAF CN(C)/C=C1/C[C@@H](NC(=O)OC(C)(C)C)Cc2c1nc1cccc3c1c2CC3 587211798 WSARYNGOCUIUDA-UGEDRFTOSA-N 379.504 4.075 0 1 GIAF COc1ccc(OCCn2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587392404 ZGHBRFLEBCMQSF-JOCHJYFZSA-N 392.455 4.173 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)c[nH]c3nccc2-3)N1 587732518 MPYAJHMZSWOZDE-VPTHRUTESA-N 378.220 4.179 0 1 GIAF Brc1ccnc2[nH]c(-c3cccnc3NCc3ccccc3)nc12 587229980 OIKJPFXRYIFKBQ-UHFFFAOYSA-N 380.249 4.395 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2C(=O)O)N1 587824723 CUCNXZLYDZKXDY-MGNBDDOMSA-N 378.241 4.084 0 1 GIAF Brc1ccc([C@@H](c2nc3cc4cn[nH]c4cc3[nH]2)N2CCCC2)cc1 586984950 QQPPSBXXIFCVHM-SFHVURJKSA-N 396.292 4.387 0 1 GIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O 587808835 QWFGTMRUURKZKR-MLCYQJTMSA-N 380.257 4.100 0 1 GIAF CC[C@@]1(CNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568779 DPFSNVQTEACHLL-JTSKRJEESA-N 399.443 4.027 0 1 GIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587811339 ZAQPWXIOTBHQQK-JEOXALJRSA-N 394.284 4.403 0 1 GIAF C=Cc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]1 587347246 OQTLXPQJDZGJPY-SIKLNZKXSA-N 378.403 4.480 0 1 GIAF CCSc1ccc2c(c1)NC(=O)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587530813 FBHWYYASPDFGHV-QFIPXVFZSA-N 379.481 4.490 0 1 GIAF Clc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cn1 586997210 BAGNJQDTDKDMNS-UPHRSURJSA-N 378.613 4.273 0 1 GIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587079122 GNIFXCKMKQQFOQ-LLVKDONJSA-N 390.777 4.262 0 1 GIAF O=C(CSc1nnc(-c2n[nH]c3c2CCc2ccccc2-3)o1)c1cccs1 958026471 LFDWAAUBLRTANZ-UHFFFAOYSA-N 394.481 4.262 0 1 GIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1ccc(N)cc1N 961777902 OTXDZQJPMFFAIR-NRFANRHFSA-N 394.519 4.092 0 1 GIAF CC(C)c1nn(C)c2c1[C@H](c1ccc(OCc3ccccc3)cc1F)NCC2 962913159 QUAYBJHUGCJMHC-QHCPKHFHSA-N 379.479 4.497 0 1 GIAF O=C1[C@@H](N2CCC[C@H](c3ccc(O)cc3)C2)CCCN1Cc1ccc(Cl)cc1 1772631191 LUTJNLKVMPYVLM-UGKGYDQZSA-N 398.934 4.416 0 1 GIAF Cc1noc(NS(=O)(=O)c2cccc3c(N4CCCCC4)cccc23)c1C 13741059 MUPQVGCFGKINDD-UHFFFAOYSA-N 385.489 4.236 0 1 GIAF CC1=NC(C)=C(C(=O)OCCSc2ccccc2)[C@H](C)[C@H]1C(=O)OC(C)C 169712623 NYLPNIUHBUYLDD-IFXJQAMLSA-N 389.517 4.274 0 1 GIAF O=S(=O)(Nc1ccc(CN2CCCCC2)cc1)c1ccc(F)c(Cl)c1 206068108 QSZLSINWNWLSDL-UHFFFAOYSA-N 382.888 4.266 0 1 GIAF COc1ccc(-c2noc([C@@H]3CCCN(C(=O)NC4CCC(C)CC4)C3)n2)cc1 201454510 CUOHEBKGTVEPLO-IIIMJFFVSA-N 398.507 4.213 0 3 GIAF CC(C)(C)c1ccc([C@H](O)c2nc(C(=O)NCc3ccccc3)cs2)cc1 205214881 SOBGATYPMNSMPJ-IBGZPJMESA-N 380.513 4.452 0 3 GIAF COc1ccc(C(=O)Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)cc1 1857544582 QWGDNVFWRQTUAG-UHFFFAOYSA-N 396.450 4.326 0 1 GIAF Cc1ccc(F)cc1-c1nc(C(F)(F)F)cn1-c1ccc(S(C)(=O)=O)cc1 29391172 VNLFEGRFORFERP-UHFFFAOYSA-N 398.381 4.409 0 1 GIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1Cl 62224638 FDLCIYZIINMSOA-KRWDZBQOSA-N 395.858 4.229 0 1 GIAF COC(=O)N1C2=C(c3ccccc3[C@H]1CC(=O)O)[C@H]1O[C@@H](C2)c2ccccc21 72104315 GLKGSBGQSUVJBZ-MMOPVJDHSA-N 377.396 4.212 0 1 GIAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccco2)C1 82142344 TVQIWVNWOTXFDY-DLBZAZTESA-N 382.508 4.378 0 1 GIAF NC(=O)c1ccc2c(c1)[C@@H](NCCc1ccccc1F)CC1(CCCCC1)O2 82185397 ZYGOQHWXSMUSKH-FQEVSTJZSA-N 382.479 4.283 0 1 GIAF CC(C)(C)[C@H]1CC[C@H](NC(=O)N2CCN(c3ncccc3Cl)CC2)CC1 100042051 OYWBBTWPTZBRPZ-IYBDPMFKSA-N 378.948 4.172 0 1 GIAF COC(=O)[C@@H]1[C@@H](O[C@@H](c2ccccc2)c2ccc(C)cc2)C[C@@H]2CC[C@@H]1N2C 100761259 KVVSZDPIQNKZIJ-VUBDRERZSA-N 379.500 4.125 0 1 GIAF Cc1ccc(-c2c3c(nc(C)c2[C@H](OC(C)(C)C)C(=O)O)CCN(C)C3)cc1 146684416 JQYJRTYJAKYFPX-NRFANRHFSA-N 382.504 4.294 0 1 GIAF Cc1cc(C)n(C[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)cnc3C)CC2)n1 261120495 JKLLQCCOTMYIGE-JCNLHEQBSA-N 394.441 4.211 0 1 GIAF CC1=CCC(C)(C)C=CC[C@@]2(C)Oc3cc(O)c(=O)cc(C)c3C[C@@H]2C[C@H]1O 299808762 REJAHZFROGUZPE-ROMRWMGNSA-N 384.516 4.444 0 1 GIAF CCCCCc1cc(O)cc(OCCCCCCCC(=O)N[C@H](C)CO)c1 299829364 MFZXUEJVICGPCI-GOSISDBHSA-N 379.541 4.341 0 1 GIAF CN(C)CCCNc1nc(=N)[nH]c2cc(-c3ccc(C(F)(F)F)cc3)sc12 473086359 HJLJYZKCNPRLNM-UHFFFAOYSA-N 395.454 4.153 0 1 GIAF COc1ccc2c(C)c(CCc3nc4cccc(OC)c4[nH]3)c(=O)oc2c1C 586919228 XMNRHINTVFKOEQ-UHFFFAOYSA-N 378.428 4.089 0 1 GIAF O=C(O)c1cc(Br)cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 587140288 XKVAPLLDONUYNS-UHFFFAOYSA-N 399.166 4.226 0 1 GIAF Cc1cc(Br)cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 587177611 QFJFXAPOBBHTOS-UHFFFAOYSA-N 375.245 4.435 0 1 GIAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(F)ccc2[nH]1 587181490 SJOIPBHMPFAHRQ-MRVPVSSYSA-N 384.196 4.141 0 1 GIAF COc1ccnc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587336848 KOIVNJTZAPAVOF-IRLDBZIGSA-N 379.387 4.209 0 1 GIAF CCOC(=O)C(=O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363156 OBYVLCYUFNBKBV-UHFFFAOYSA-N 375.380 4.402 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3cccc(Br)c3)c1)O2 587371733 MPWDELNWPIAISL-GOSISDBHSA-N 398.260 4.232 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccccc1C(C)C)[C@@H](C2)C3=O 587433735 VJBOUWQORHXIBN-GAJHUEQPSA-N 379.456 4.354 0 1 GIAF O=C1C[C@](c2ccc(Cl)c(Cl)c2)(C(O)O)Oc2c1ccc1c2CCCC1 587508828 UCGUYSBORISIAS-FQEVSTJZSA-N 393.266 4.044 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]ccc1Br 587540429 ORFRSRUGFXITNZ-KSSFIOAISA-N 386.201 4.186 0 1 GIAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1O 587553413 ARZHPHUVHHLIAS-SIKLNZKXSA-N 396.370 4.123 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc3c(Cl)n[nH]c23)N1 587701228 AREITOMBALZIPI-KWKYVRJSSA-N 395.663 4.137 0 1 GIAF CC(=O)[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587733421 RERVINOTOJOCJK-YPMLDQLKSA-N 380.232 4.094 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3nc2O)N1 587780134 YSCPFWPNHJKEOF-MGNBDDOMSA-N 387.252 4.466 0 1 GIAF CC(C)CCOC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798129 XMNKZRYKVVZOBR-SGTLLEGYSA-N 386.305 4.317 0 1 GIAF CCSc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587845109 MWVPLWBBOBKALR-VFZGTOFNSA-N 382.302 4.114 0 1 GIAF CC(=O)c1cc(-c2nc3ccccc3s2)c2cc(N3CCOCC3)ccn12 653786060 GPVLBWXIVXSSSC-UHFFFAOYSA-N 377.469 4.255 0 1 GIAF CCOc1ccc(OCC)c([C@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1 962568676 LERHUSHCJZTDEB-NPMXOYFQSA-N 385.504 4.467 0 1 GIAF COc1ccc2c(c1OC)[C@]1(CC[C@H](c3ccccc3)C[C@@H]1CN)N(C)[C@H](C)C2 962642697 ZNBLBGPBFROSOS-RAFPRUQASA-N 394.559 4.318 0 1 GIAF OC[C@@]1(c2ccccc2Cl)c2cccc(F)c2CCN1[C@@H]1CCSC1 962717939 WVKPVOYTWYSDCR-VLIAUNLRSA-N 377.912 4.079 0 1 GIAF Cc1cc2c(o1)CCC[C@]21N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963179165 POOCVAPDNDYAOQ-ACJLOTCBSA-N 399.796 4.439 0 1 GIAF Clc1ccc(CN[C@H]2CC[C@@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772576319 JWYZSYKWHNIQHM-FZNQNYSPSA-N 380.883 4.075 0 1 GIAF Oc1cccc(CSc2nc(O)nc(SCc3ccccc3F)n2)c1 1857598530 SEZMWKFXYOEMHQ-UHFFFAOYSA-N 375.450 4.007 0 1 GIAF Cc1ccc2nc(C[C@H]3CN(CC4CCCCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305930 UELBQRDBLAFPTB-MOPGFXCFSA-N 383.536 4.407 0 1 GIAF COC(=O)C(=CCCC(C)=CCC[C@]1(C)C=Cc2cc(O)cc(C)c2O1)CO 2356464258 CWRIQGUAHCWTRV-HSZRJFAPSA-N 386.488 4.463 0 1 GIAF CC=C[C@@H]1C[C@@H]1C1=C(Br)[C@@H]2O[C@H](C=C=CBr)C[C@@H]2O1 2356585850 DSVLSFOHBJOXOY-YUALVZCESA-N 388.099 4.425 0 1 GIAF C[C@@]1(C(=O)N2CCCCC2)CCN1C(=O)c1ccccc1CCc1ccccc1 61898223 QWFIJOXOXPFGOS-VWLOTQADSA-N 390.527 4.089 0 3 GIAF COc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(C(C)=O)c4)n3c2)cc1 61925970 RRUJAQSPPOZSAE-UHFFFAOYSA-N 385.423 4.448 0 3 GIAF S=c1[nH]c2ccc(OCCN3CCN(c4cccc(Cl)c4)CC3)cc2[nH]1 52716768 UJVQLQPURJLGHG-UHFFFAOYSA-N 388.924 4.080 0 1 GIAF O[C@@H](c1cccc(OCc2ccccc2)c1)c1n[nH]/c(=N/c2ccccc2)s1 103774745 OGBKGEKHLMGKOL-FQEVSTJZSA-N 389.480 4.364 0 1 GIAF COc1cc2nc(COc3ccc(Cl)cc3Cl)oc(=O)c2cc1OC 103181001 BKZXWAWOEOHXIV-UHFFFAOYSA-N 382.199 4.091 0 1 GIAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1 103291291 AWWDPLAPTOJPRA-UHFFFAOYSA-N 381.863 4.266 0 1 GIAF CC(=O)NCC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1 28878437 CMFMZBLAQQULNF-UHFFFAOYSA-N 395.934 4.491 0 1 GIAF CCN(CC)OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 27323956 CCWROGHSNWICQM-UHFFFAOYSA-N 395.894 4.045 0 1 GIAF Fc1ccc(-c2cnc([C@H]3COCCN3Cc3c[nH]c4ccccc34)[nH]2)cc1 2356305724 ALXXLBQJLHYARQ-OAQYLSRUSA-N 376.435 4.271 0 1 GIAF Cc1ccc(C(N)=O)cc1Nc1nccc(-c2cn(C(C)C)c3cnccc23)n1 68204298 TZZISDZOBASIEO-UHFFFAOYSA-N 386.459 4.225 0 1 GIAF O=C(O)CCCOc1cc(Cl)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 116910523 LQPYVMZXAKJSNL-KRWDZBQOSA-N 386.753 4.362 0 1 GIAF CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(-c4ccnn4C)cc32)CC1 64528182 AJESKKMIWNWSBT-OAQYLSRUSA-N 390.556 4.083 0 1 GIAF CCCOc1cc(OCCCN2CCCC2)ccc1C(=O)Nc1cccc(O)c1 72182199 OUUFECBZKWUVIX-UHFFFAOYSA-N 398.503 4.298 0 1 GIAF COc1ccc(-c2csc3c2-n2cc(Br)cc2C3=O)cc1O 45392895 ADJOSLVTMINJLP-UHFFFAOYSA-N 376.231 4.227 0 1 GIAF C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(C(C)(C)O)cc2)S1)c1ccc(F)cc1 40865923 FBIIPVOHBFGZJK-YEJXKQKISA-N 386.492 4.249 0 1 GIAF CNCc1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1 84709436 IIRINPJFCZIRKA-UHFFFAOYSA-N 394.418 4.130 0 1 GIAF O=C(NC(=S)N1CCc2cccc(OCc3ccccc3)c21)c1ccccc1 43122792 PVZKDTLFEVTZSS-UHFFFAOYSA-N 388.492 4.343 0 1 GIAF CCOc1cc(CCNc2cncc(Oc3ccc(F)cc3)n2)ccc1OC 82068672 XDNKXDYONJVWQJ-UHFFFAOYSA-N 383.423 4.470 0 1 GIAF NC(=O)Nc1ccc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2c1 45186994 BCIFNTUVHFNOOI-UHFFFAOYSA-N 385.427 4.443 0 1 GIAF COC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc(C(C)=O)cc2)cc1)n1cncn1 95561792 IIRSLIBRUAZIJO-HXUWFJFHSA-N 392.459 4.013 0 1 GIAF COc1ccc(/N=c2\oc3cccc(O)c3cc2C(=O)Nc2ccccn2)cc1 96286187 YJPGLTISBDUBNI-GYHWCHFESA-N 387.395 4.027 0 1 GIAF CCNC(=O)Nc1cc(Oc2ccccc2)c(C(=O)Nc2ccccc2)cn1 299832345 UYNXGJLIGHDSLP-UHFFFAOYSA-N 376.416 4.268 0 1 GIAF COc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1 473107486 JIGISDNOIMUPQF-UHFFFAOYSA-N 375.375 4.442 0 1 GIAF CCOC(COc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1)OCC 587398488 DGZGAMIUCASWAU-HXUWFJFHSA-N 385.460 4.062 0 1 GIAF COC(=O)c1cc2[nH]c(-c3cc(Br)c(F)cc3F)nc2cc1OC 587136572 RZAIPIRDIZMIJD-UHFFFAOYSA-N 397.175 4.066 0 1 GIAF CC(C)[C@@]1(Cc2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587324 NPEZJJKTIXBYTI-NZQKXSOJSA-N 375.424 4.386 0 1 GIAF COc1ccc(CCCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(OC)c1 587929148 RSIPNGKWHCSOIF-UHFFFAOYSA-N 380.423 4.080 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587401792 YLKBRWYQNQWZCY-YIGJPRQDSA-N 393.483 4.428 0 1 GIAF C=C1C=C(C)n2ncc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2N1 587590415 ZZEJVCUBRUEDMY-GHTZIAJQSA-N 387.395 4.092 0 1 GIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N(C)C 587571798 MHHFKHUBEROWCJ-NZQKXSOJSA-N 375.424 4.470 0 1 GIAF CCn1cc([C@]2(CC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587757585 OWNFTTTUCKNPTR-BBATYDOGSA-N 380.305 4.301 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(N)CC[C@@]2(C)C3(C)C)N1 587747312 POANZYBNOUZBLS-OKPZZFFVSA-N 381.333 4.245 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(N)cc(F)cc2F)N1 587721657 PXSKTPHYMTUWDX-RBHXEPJQSA-N 385.227 4.246 0 1 GIAF CCCc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)s1 962638693 NKWUXDZDTARPAI-GOEBONIOSA-N 385.407 4.288 0 1 GIAF Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(N2CCCCCC2)s1 5132918 JRNATTGYIXBRPS-UHFFFAOYSA-N 383.477 4.134 0 3 GIAF COc1ccc(C(=O)N2CCCCCCC2)cc1OC1CCN(C(C)C)CC1 11843426 ATTSKDPTRAZKAB-UHFFFAOYSA-N 388.552 4.353 0 3 GIAF CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)Oc1ccccc1 13747586 SYROLLDMNCFEPC-UHFFFAOYSA-N 377.462 4.346 0 1 GIAF C/C1=C\CC(C)(C)/C=C\C[C@@]2(C)Oc3cc(O)c(=O)cc(C)c3C[C@@H]2C[C@H]1O 169292481 REJAHZFROGUZPE-KPEUJZNUSA-N 384.516 4.444 0 1 GIAF Cc1nc(-c2ccccc2)sc1-c1ccc(F)c(CN[C@@H](CO)C(C)C)n1 204415873 QNLXPOGBFVGSSX-IBGZPJMESA-N 385.508 4.426 0 1 GIAF c1ccc(CC[C@@H]2CCCN(CCN[C@H]3CCN(Cc4ccccc4)C3)C2)cc1 1857584627 BRUSHJCBLNVXBK-UIOOFZCWSA-N 391.603 4.195 0 1 GIAF O=C(NCCCc1cccc(Cl)c1Cl)c1cc2ccc(O)cc2oc1=O 1857601532 JZCFMEPRSDVLSB-UHFFFAOYSA-N 392.238 4.168 0 1 GIAF Cn1cc([C@@H]2CCCC(C)(C)C2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21 1857612089 BZNCOYYCBYWLHU-OAHLLOKOSA-N 388.533 4.084 0 1 GIAF O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773342 NUZOAKRRZBPTBJ-ROUUACIJSA-N 380.419 4.181 0 1 GIAF COc1ccccc1C(=O)N1CC(=O)Nc2ccc(C)cc2[C@H]1c1ccccc1 2724199 XHCXGSZRTZTBGI-HSZRJFAPSA-N 386.451 4.188 0 1 GIAF Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1O)SC(=N)N2 6483933 QMUKUOKRJOJRAA-INIZCTEOSA-N 398.875 4.422 0 1 GIAF C(=C/c1cc2ccc(C3=NCCN3)cc2o1)\c1cc2ccc(C3=NCCN3)cc2o1 6535086 OWOUDNYVMQPZPL-AATRIKPKSA-N 396.450 4.049 0 1 GIAF CC(C)c1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)cc1 13744802 HNCXIINJFVYAGP-UHFFFAOYSA-N 375.515 4.462 0 1 GIAF Cc1cc([C@@H]2[C@@H](C(C)C)CC[C@@]2(C)C(=O)O)c(C(=O)O)c(O)c1Br 15267076 CUEYFKVUWNYWDV-SBOFIZKASA-N 399.281 4.402 0 1 GIAF biogenic CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](c2nc(-c3ccc4c(c3)OCO4)no2)C1 26189390 BWHSSMYFPRCRSE-SJORKVTESA-N 397.862 4.322 0 1 GIAF C[C@H]1CN(c2cccc([C@H](C)NC(=O)/C=C/c3ccccc3F)c2)C[C@@H](C)O1 26740370 MMTYMNYZNWKRIA-ANPJYKQMSA-N 382.479 4.330 0 1 GIAF O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@@H]1CCC[C@@H]2C=CC=C[C@@H]21 27519664 HBNIAKXTMMHNGE-JAXLGGSGSA-N 390.527 4.315 0 1 GIAF COc1ccc(C[C@H]2c3c(Br)cccc3CCN2C)cc1OC 28462802 YOUJFEKRDUOBQK-INIZCTEOSA-N 376.294 4.238 0 1 GIAF CCOc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 40940633 ZMGRVWMXWPRHFE-XBJCXQGOSA-N 381.564 4.198 0 1 GIAF COCCn1c(-c2cccs2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181279 QVVJRVCIVVWELL-UHFFFAOYSA-N 399.907 4.467 0 1 GIAF Cc1cccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)c1 84714223 NXIWYWRCFNZXNY-UHFFFAOYSA-N 385.467 4.440 0 1 GIAF CC(C)c1cnc(Nc2cccc(F)c2)nc1NCCCNC(=O)C1CCC1 95562735 IWBSHHKFHATOAP-UHFFFAOYSA-N 385.487 4.201 0 1 GIAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1ccncc1 101630633 ZZUGKSTUCOIEGU-RAOBZKRQSA-N 386.477 4.122 0 1 GIAF CN1CC[C@@]2(C)C(=CC1=O)CC[C@H]1C3=CC=C(c4cnccn4)[C@@]3(C)CC[C@@H]12 144181810 GHDNDJPHKHSYAR-NZUPQLOKSA-N 375.516 4.421 0 1 GIAF COc1cccc(Nc2nccc([C@@H]3C(c4ccccc4)=NN4C=CC=C[C@@H]34)n2)c1 169720370 TUPCJYGCAPLRDO-VXKWHMMOSA-N 395.466 4.484 0 1 GIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2cccc(F)c2F)n1 203323184 ZTGJZTAJAUGZRE-IBGZPJMESA-N 396.393 4.281 0 1 GIAF CCCCCNC(=O)NCCCC/C=C\CCCCCCP(=O)(O)O 203753211 JKXIVXQMROVGHA-XQRVVYSFSA-N 376.478 4.331 0 1 GIAF CC(C)Oc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 221953731 LDENLRGPPCHNAJ-LJQANCHMSA-N 394.254 4.193 0 1 GIAF CC[C@H]1c2cc(Cl)ccc2C(=O)N1c1cncc2c1CCC[C@H]2NC(C)=O 224484466 AHGMMDGLVYRHKC-MOPGFXCFSA-N 383.879 4.360 0 1 GIAF O=C(Cn1ccnc1)c1ccc(OCc2cccc(OC(F)(F)F)c2)cc1 299827165 NKEIHIVPCRJXRP-UHFFFAOYSA-N 376.334 4.244 0 1 GIAF Clc1c(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccnc1Br 587006240 BLDQSHRPDOOIPD-UHFFFAOYSA-N 380.629 4.202 0 1 GIAF Cc1cccc(Cl)c1C(=O)c1c(CO)oc2cc(Br)cnc12 587276695 RWIASIVNICLOBM-UHFFFAOYSA-N 380.625 4.275 0 1 GIAF CCOc1cc(Br)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587379001 YWZNKHFUMKHSND-QGZVFWFLSA-N 376.250 4.445 0 1 GIAF COc1cc2c3c(c1)O[C@]1([C@H](CC(=O)O)CCC[C@H]1c1ccccc1)[C@@H](C2)C3=O 587448266 BWAGLQYBXVNRQH-SXTNBDNLSA-N 392.451 4.240 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cccn1Cc1cnc(Cl)s1)[C@@H](C2)C3=O 587450940 MELOUAAHMPZUGT-UGSOOPFHSA-N 386.860 4.144 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCC)(CNC(=O)OC(C)(C)C)CC2=O 587467592 BECHIMNXQALXLP-OAQYLSRUSA-N 377.481 4.374 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCC(O)CC3)cc1)CC2=O 587474144 FBVUBPPAZVFSPZ-DEOSSOPVSA-N 395.499 4.186 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ncc(Br)s1)CC2=O 587495097 NHABDCOUOQMVHP-INIZCTEOSA-N 382.279 4.444 0 1 GIAF Cc1ccc(CNC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509657 DPHHCBYXLCXFQK-DEOSSOPVSA-N 377.484 4.304 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1ccc(F)cc12 587570202 NKAPAFUBZPZUKN-KNQAVFIVSA-N 378.355 4.171 0 1 GIAF C/C=C/CC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590625 CTZDCJFCXAGFCF-XJWKMDPISA-N 382.412 4.012 0 1 GIAF CC1(C)[C@H]2CC[C@]1(C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O 587604659 VEASUAYMNPSCQR-HWZVDDMOSA-N 378.424 4.118 0 1 GIAF COc1cc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587719814 LYYYQUOUZQEWFR-CQLKUDPESA-N 386.211 4.499 0 1 GIAF COc1cc(F)cc(OC)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587726498 JKGIPVWASATJAQ-DYBLOJMWSA-N 398.247 4.368 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](c3cnn(C)c3)C2(C)C)N1 587756753 FHZYFLYSXPRXNO-CILWKZBWSA-N 392.316 4.265 0 1 GIAF COc1cccc(OCc2ccc(-c3nc4c(S)nc(S)nc4[nH]3)cc2)c1 587781202 FQDBZUCSIUGBHB-UHFFFAOYSA-N 396.497 4.185 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C[C@@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587796409 KEIHBPGYQYGGPY-QULAYQROSA-N 398.316 4.317 0 1 GIAF COc1cc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587809980 VWOHGFIWSMKOMR-NSPYISDASA-N 394.284 4.295 0 1 GIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587811389 ZVYKJMTVKHLKGP-WLRWDXFRSA-N 394.284 4.403 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2nccs2)N1 587853204 LLQLGKMAOMZLBR-QLJPJBMISA-N 392.297 4.459 0 1 GIAF CCCC[C@@]1(C(C)C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963151193 RZGUZEQIBYHLCD-IFXJQAMLSA-N 382.526 4.431 0 1 GIAF Cc1cc2c(cc1O)[C@](C)(c1cc(F)c(Cl)cc1Cl)N[C@H](C(=O)O)C2 963487771 DFBQQYSCMYLTLS-MAUKXSAKSA-N 384.234 4.009 0 1 GIAF COc1cccc(S(=O)(=O)Nc2ccc(Oc3ccc(O)cc3)c(C)c2)c1 1772599601 QXYFFWDNSHGVFX-UHFFFAOYSA-N 385.441 4.302 0 1 GIAF Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(N)cc1 1857593858 CKQBPRXUPAGTFT-UHFFFAOYSA-N 399.498 4.238 0 1 GIAF CCOC(=O)c1ccc(-c2ccc3ncnc(NCc4csc(C)n4)c3c2)o1 61931497 LAMPWKNHJWKCSD-UHFFFAOYSA-N 394.456 4.444 0 3 GIAF O=C(N[C@@H]1CCCCN(Cc2cccc(F)c2)C1=O)c1ccc2ccccc2c1 199410019 DHTXXNMZFHJGMR-JOCHJYFZSA-N 390.458 4.290 0 3 GIAF COc1cc(O)c([C@H]2CC(=O)c3ccc(O)cc3O2)c(OC)c1CC=C(C)C 14762630 CENDIAJZASJQBF-HXUWFJFHSA-N 384.428 4.330 0 1 GIAF endogenous,in-man c1cn(-c2ccc(OC[C@@H]3CCCCN3Cc3ccc4c(c3)OCO4)cc2)cn1 28818863 OGIDTPKJWIUESB-FQEVSTJZSA-N 391.471 4.035 0 1 GIAF O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccnn1CCc1ccncc1 28822052 XWEDFPBVINMQJO-UHFFFAOYSA-N 398.466 4.352 0 1 GIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)OC[C@@H]2CC(=O)O 28951921 LNIBCKWAMCKSNE-INIZCTEOSA-N 379.412 4.222 0 1 GIAF CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(NCCO)n2)s1 64549007 CZCSZRYNOSGEEF-UHFFFAOYSA-N 389.912 4.145 0 1 GIAF CCOc1cccc(-c2nc(CN(C)[C@@H]3CCN(Cc4ccccc4)C3)co2)c1 72183895 HXDUZVRHBDSAAS-JOCHJYFZSA-N 391.515 4.447 0 1 GIAF Cc1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2C[C@H]2CCCO2)o1 82178500 ZPROSSREPCDYDQ-QGZVFWFLSA-N 389.459 4.186 0 1 GIAF C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C/C=C\C/C=C/C(=O)O 100801990 BUFWZRKDBSESPF-XYNIAYTASA-N 382.500 4.478 0 1 GIAF O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)[C@H](Cc2ccccc2)NC1=O 101446022 VHIJAUIYYZURPY-FQEVSTJZSA-N 390.483 4.226 0 1 GIAF CN1CCCc2ccc(NC(=O)N3CCC(F)(c4ncccc4F)CC3)cc21 141069641 UUQIOFAMJIAZCY-UHFFFAOYSA-N 386.446 4.096 0 1 GIAF COc1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2OC)c1 169303937 MXGAKTKGEOCUSX-UHFFFAOYSA-N 376.412 4.208 0 1 GIAF COc1nc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 208119784 ROSZQUGMKRPSMI-UHFFFAOYSA-N 385.471 4.315 0 1 GIAF COc1cc(Br)cc(C=O)c1OCc1nc2cccc(Cl)c2[nH]1 586980324 VBRODEOESLEPGW-UHFFFAOYSA-N 395.640 4.379 0 1 GIAF CCOC(=O)C[C@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990475 YAXMUCNVHKNZAO-ZDUSSCGKSA-N 387.435 4.210 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)C(F)(F)F)n1 587094164 LJELNMGDHQJBCO-INIZCTEOSA-N 384.427 4.013 0 1 GIAF Nc1cccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 587104429 HHPVZKGDDUDPHS-UHFFFAOYSA-N 380.403 4.323 0 1 GIAF C[C@]1(c2nc3ccc(Br)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173380 ZGSPDTGSQMVQIC-QGZVFWFLSA-N 375.197 4.093 0 1 GIAF O=C1C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2O1 587354785 BDOFFVXKNOGHPV-JTHBVZDNSA-N 390.366 4.095 0 1 GIAF COC(=O)CCCC[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427482 IDZGEWLLVNSOIB-WZONZLPQSA-N 398.430 4.211 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(Cc1cc(F)ccc1Br)[C@@H](C2)C3=O 587427754 UYJAQVOUALWMNY-IFXJQAMLSA-N 391.236 4.346 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccncc1Br)CC2=O 587457698 BEIYTJNRUJVAIX-SFHVURJKSA-N 376.250 4.383 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1cccnc1)c1cccnc1 587589216 WIIDYWOKSPJDPN-OAQYLSRUSA-N 396.402 4.088 0 1 GIAF CCOC(=O)c1c(-c2ccccc2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 587649785 TVQDHXCCWMJWGV-UHFFFAOYSA-N 377.849 4.069 0 1 GIAF O=C(Cc1cccs1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658765 UAVZFMZCMBZPBT-UHFFFAOYSA-N 382.391 4.286 0 1 GIAF COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1O 587716869 KAKZAVUKMIKQCV-NIVTXAMTSA-N 398.247 4.239 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccco3)CC2)N1 587769794 QKROXAIEJVPWDK-ZDUSSCGKSA-N 393.300 4.207 0 1 GIAF COc1ccc(C)cc1C(=O)CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587787953 TZOMMRRDBCBGOL-UHFFFAOYSA-N 378.407 4.020 0 1 GIAF Cc1[nH]c(C(=O)O)c(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587791573 MCUWPWBLNKVVBM-CVJBHZAOSA-N 395.272 4.029 0 1 GIAF CCOC(=O)C[C@@]1(C2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587793408 DYRYCFPIBKSJAE-BLVKFPJESA-N 398.316 4.461 0 1 GIAF CCC[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800763 YYSLEUSDBUGBQF-WHWRDJHUSA-N 386.305 4.317 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H]2CCOC2)N1 587836709 XLQJYABXIIHGMV-OWDMVUQNSA-N 390.296 4.403 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H]2CCOC2)N1 587837138 ZRTNNJNLQTWMPK-OWDMVUQNSA-N 390.296 4.403 0 1 GIAF COc1ncc(Br)cc1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963099258 JFKNOZDZLFMEPM-SUMWQHHRSA-N 377.257 4.102 0 1 GIAF COc1cc(C(=O)Cn2ccc3c4ccccc4nc-3c2C)cc(OC)c1OC 1772570357 FCFODNPJEIBSNE-UHFFFAOYSA-N 390.439 4.358 0 1 GIAF O=C1CCc2ccc(OCCCCCCN3CCC(N4CCCC4)CC3)cc2N1 1772646349 ZVLRSTBOUBXPMP-UHFFFAOYSA-N 399.579 4.071 0 1 GIAF CC1(C)CCCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857759425 QGHIRYFCAFOZSO-INIZCTEOSA-N 386.442 4.082 0 1 GIAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356325836 RLBHLWLYTAOVCJ-XUVXKRRUSA-N 394.519 4.055 0 1 GIAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(O)c(OC)c1 959850 DIBKTVBSWKZSFK-HNNXBMFYSA-N 399.472 4.222 0 1 GIAF O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4051686 MVAQCLDSBHSQPH-FPOVZHCZSA-N 392.480 4.035 0 1 GIAF O=C1NC(=O)c2cc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)ccc21 4263876 ITIBNSQWSMMLEL-UHFFFAOYSA-N 393.402 4.038 0 1 GIAF CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(=O)C(=O)N(CC)CC)c3c2C1 13741714 REIFSICUZLPXAD-GOSISDBHSA-N 397.563 4.198 0 1 GIAF Cc1cccc(-c2nc(-c3cccnc3)[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1 14958513 DNTYLQGBZLGVPF-UHFFFAOYSA-N 395.466 4.305 0 1 GIAF O[C@](Cn1ccnc1)(c1ccc(-c2cccnc2)cc1)c1ccc(F)cc1F 26941358 LYHARONQVFKMQL-JOCHJYFZSA-N 377.394 4.159 0 1 GIAF O=C(Nc1ccc(OCCN2CCCCC2)cc1)Nc1ccc(F)cc1F 27918445 BUKBNKDMTXPDSJ-UHFFFAOYSA-N 375.419 4.474 0 1 GIAF Cc1cccc(NC(=O)CN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c1 28378515 DULALBWPOFGOBM-UHFFFAOYSA-N 385.511 4.423 0 1 GIAF O=C(Nc1ccc2ccccc2c1)[C@@H](c1coc2ccccc12)P(=O)(O)O 40576546 VKKQKJLANFGNJN-LJQANCHMSA-N 381.324 4.444 0 1 GIAF Cc1ccccc1N1CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)CC1=O 59278071 JPCRDNJUDBCXLV-UHFFFAOYSA-N 396.796 4.156 0 1 GIAF CCCCNc1nc(N(C)Cc2ccccc2)nc2cc(OC)c(OC)cc12 82129569 QFZDLUQSIMUWDY-UHFFFAOYSA-N 380.492 4.495 0 1 GIAF CC(C)CNc1ncnc2c1nc(-c1cccs1)n2CC[C@H]1CCCN1C 82178046 LRNYTHKBHUCGJK-OAHLLOKOSA-N 384.553 4.107 0 1 GIAF O=c1cc2n(-c3ccccc3)nc(-c3ccccc3)nc-2cc1N1CCCCC1 95576012 ZYLUBRLEEVQXPA-UHFFFAOYSA-N 382.467 4.390 0 1 GIAF O=C(Cc1ccccn1)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 116814605 IZKQBCKEKYHTTF-UHFFFAOYSA-N 386.377 4.345 0 1 GIAF CCCCCCC[C@](C)(O)/C=C/[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 139949522 WODFTDUWTSIUTP-GCASFGIVSA-N 391.508 4.122 0 1 GIAF Cc1nc2ccc(C3(C)CC3)nc2n2c(-c3cc(C(C)(C)O)ccc3F)nnc12 145740311 PVMXBZXUYVAKAW-UHFFFAOYSA-N 391.450 4.066 0 1 GIAF CC[C@@H]1CC=C(c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)CC1 220720275 CTBXKHLRFQFYGO-CMJOXMDJSA-N 382.504 4.008 0 1 GIAF O=C1C[C@@H](c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)CN1 299866443 OZSFKCNQACUCHB-GFCCVEGCSA-N 389.333 4.151 0 1 GIAF O=S(=O)(c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1)C(F)(F)F 586884028 NMFZLHJPXOBTDQ-BTIUKSQHSA-N 384.423 4.324 0 1 GIAF O=C1C[C@@H](Cc2nc3cc(Cl)cnc3[nH]2)c2c(Br)cccc2O1 587001914 APLBWOVJXHRQCX-MRVPVSSYSA-N 392.640 4.009 0 1 GIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Cl)nc(Cl)cc2[nH]1 587039650 UNYOMHOXHXPKTG-UHFFFAOYSA-N 387.252 4.130 0 1 GIAF Cc1nccc2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc12 587059620 XNAVJEWEQMRMIS-UHFFFAOYSA-N 385.254 4.450 0 1 GIAF Nc1ncc(Cl)nc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587086846 NCLASBDFUBONCJ-UHFFFAOYSA-N 392.566 4.037 0 1 GIAF CC[C@@H](c1nc2ccc(C)c(C)c2[nH]1)n1cc(I)c(C)n1 587185403 SUGFFPOKZZFIES-AWEZNQCLSA-N 394.260 4.289 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587234817 AHAZRFVFWAANDG-UKRRQHHQSA-N 399.470 4.439 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c[nH]c3ncc(Br)cc13)O2 587371321 KHWWWDRUTLMOIJ-GOSISDBHSA-N 386.249 4.097 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1cccc(C(F)(F)F)c1)O2 587381769 LLPJFHDPEBXIKL-IBGZPJMESA-N 392.377 4.349 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)cc1N)CC2=O 587459628 YXZXAUIQJHJBRJ-KRWDZBQOSA-N 376.250 4.396 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(C=O)n(C)c1)CC2=O 587469474 FISNNTBSXYMDSN-XMMPIXPASA-N 389.451 4.405 0 1 GIAF COC(=O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc2O1 587502257 BXXQOKVISMQACU-HSZRJFAPSA-N 394.398 4.015 0 1 GIAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1NC(C)=O 587511624 MIUGXCBQHPZHES-HSZRJFAPSA-N 379.456 4.413 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccncc1Br 587540034 GUZMDPXZINRTMG-LPHOPBHVSA-N 398.212 4.253 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=COc1ccc(F)cc12 587569479 LQIRWWSKEZQWDU-SIKLNZKXSA-N 376.339 4.295 0 1 GIAF Cn1cc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2n1 587581792 MUGKWSLKHCIMIJ-WMZHIEFXSA-N 386.407 4.156 0 1 GIAF Cc1cc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)n1 587586111 HHOXEJHXORFQDG-PZJWPPBQSA-N 375.424 4.367 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]cc1-c1ccccc1 587593321 IRUOZYNHUHUTCY-AUSIDOKSSA-N 384.391 4.485 0 1 GIAF CCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587598724 UUVRXFOOHBGFFZ-GCJKJVERSA-N 378.380 4.199 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@@H]2CCCC2=O)(C(F)(F)F)N1 587709961 PKZNRIOSYCOCGE-FFTROKDMSA-N 394.206 4.249 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN(C)C)cc2)N1 587741804 PFZWEORJGKAWSA-BUXKBTBVSA-N 377.301 4.273 0 1 GIAF COc1ccc(OC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587800394 GMBUCSKKZSOJSY-ADLMAVQZSA-N 380.257 4.251 0 1 GIAF CCOC(=O)[C@]1(CC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800800 ZIBIMYTXWOPGEN-ADLMAVQZSA-N 386.305 4.317 0 1 GIAF CSc1ncc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587846242 PPGONFVJWYCFFC-XLFHBGCDSA-N 396.329 4.206 0 1 GIAF Cc1onc(-c2ccccc2)c1-c1cnn(S(=O)(=O)c2ccc(Cl)cc2)c1 653778407 ODOXAUHAOOPPRU-UHFFFAOYSA-N 399.859 4.404 0 1 GIAF CCCOc1ccc2c(c1)[C@]1(CCO2)NCCc2cnc3c(OC)cccc3c21 963053222 GYTYDVMEEXNCGE-DEOSSOPVSA-N 390.483 4.204 0 1 GIAF COc1cc2nc(Nc3ccc(F)cc3)nc(NC[C@H]3CCCO3)c2cc1OC 1772601448 UXKWXGQTMJMRQT-OAHLLOKOSA-N 398.438 4.121 0 1 GIAF CN(C)CCCN=c1[nH]c(/C=C/c2ccc(F)c(F)c2)nc2ccc(F)cc12 1857564007 XWVFJTSXLFDIKY-WEVVVXLNSA-N 386.421 4.003 0 1 GIAF COc1ccccc1N1CCN(CC[C@@H](O)c2ccc(F)c3ccccc23)CC1 1857644450 NFJVUFZIXRPWTA-HSZRJFAPSA-N 394.490 4.233 0 1 GIAF CC1=C[C@H](CN(C)CCc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356836175 KXVHCRYCYMBHEN-VWPQPMDRSA-N 382.552 4.345 0 1 GIAF CCS(=O)(=O)c1ccc(OC)c(-c2ccc([C@H](C)N3CCCCC3)[nH]2)c1 835058 YHRNVXAUNZJNND-HNNXBMFYSA-N 376.522 4.031 0 1 GIAF Cc1ccc(C)c(NC(=O)CN2C(=O)c3cccnc3Oc3ccc(C)cc32)c1 6878038 RAJKQMKGOFXKGJ-UHFFFAOYSA-N 387.439 4.398 0 1 GIAF COC(=O)[C@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1 100705921 DTODDPACPIXMKH-NSHDSACASA-N 397.431 4.024 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@H]2CC[C@H]1N2C/C=C/C[18F] 102058056 FXIKVFNIIRHKBX-GPLWAYTKSA-N 395.303 4.084 0 1 GIAF O=C1CC[C@]2(c3ccc(Cl)cc3)O[C@H](CNc3ccc(Cl)cc3)CN12 27521917 KXJHBQBFBMXPEW-IEBWSBKVSA-N 377.271 4.280 0 1 GIAF CC(C)C1=CC[C@]2(C)[C@H](O)[C@H](O)C[C@](C)(OC(=O)C=Cc3ccccc3)[C@H]2C1 2356470581 GIVYBSDWYHUABS-JXNNMWDUSA-N 384.516 4.126 0 1 GIAF CC(C)=CC[C@@H]1Cc2cc3c(cc2C[C@@H]1O)OC[C@H]1c2ccc(O)cc2O[C@H]31 2356587056 WWSJZUZKQALFSA-XTTSIVGLSA-N 378.468 4.434 0 1 GIAF Cc1c(NC(=N)N)ccc(-c2ccc(-c3ccc(NC(=N)N)c(C)c3C)o2)c1C 26180064 ZZKKPTBZYNFSFX-UHFFFAOYSA-N 390.491 4.458 0 1 GIAF COc1cc(-c2nc(CN[C@H]3CCc4ccccc43)co2)cc(OC)c1OC 72182271 IHFQZEOWQBELGX-SFHVURJKSA-N 380.444 4.145 0 1 GIAF CC(C)N(CCC(CCN(C(C)C)C(C)C)(C(N)=O)c1ccccc1)C(C)C 39254113 BNSLJSWMYDWGOY-UHFFFAOYSA-N 389.628 4.428 0 1 GIAF O=c1nc(SCc2ccccc2)nc(SCc2ccccc2Cl)[nH]1 72124277 ALOWVBGCHHQIHK-UHFFFAOYSA-N 375.906 4.403 0 1 GIAF COC(=O)[C@]1(Cc2cccc(C(F)(F)F)c2)CC(=O)O[C@H]1c1ccccc1 73158045 AUKKAGUDOGNTCE-PKOBYXMFSA-N 378.346 4.096 0 1 GIAF Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)N2CCC(C)CC2)c1 82146493 GRKAJGWVKDZCMW-UHFFFAOYSA-N 378.520 4.314 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cccc(OCC(C)C)c3)C2)cc1 142180561 BFBXCNBSPIORHL-KRWDZBQOSA-N 382.504 4.186 0 1 GIAF O=C(Nc1cc2cnc(-c3ccccc3OC(F)(F)F)cc2cn1)[C@@H]1C[C@@H]1F 144380514 NNUPAWMLUQFZGQ-KGLIPLIRSA-N 391.324 4.492 0 1 GIAF COCc1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1 96168806 QDKPTRGTFJLORC-UHFFFAOYSA-N 398.466 4.106 0 1 GIAF CC(=O)N[C@H](C)Cc1ccc(OC2CN(c3ccc(C(C)(C)C)cc3)C2)cc1 96172844 YBFGPFLYUGTUKD-QGZVFWFLSA-N 380.532 4.319 0 1 GIAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1N1CCOCC1 473136399 QWRSVKFESAHALM-UHFFFAOYSA-N 388.830 4.011 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cnc(OCc4ccccc4)c(C)c1)[C@@H](C2)C3=O 587435417 FLWSRSDPHQICES-CVDCTZTESA-N 387.435 4.466 0 1 GIAF COc1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587586773 JPOYMOGFHJPJLN-WIYYLYMNSA-N 391.423 4.067 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1c(N)sc3c1CCC3)O2 587415463 SVIKHLHOLQEIME-QFIPXVFZSA-N 391.496 4.014 0 1 GIAF Cc1ccnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc12 587027541 RRINRYLTDMBFMC-ULQDDVLXSA-N 380.517 4.403 0 1 GIAF COC(=O)[C@@H](C)[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522809 HTROTWADSVZFPK-VOIUYBSRSA-N 378.468 4.321 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)C1 587792721 CIFLJQBIADTUGY-XEIPEAKMSA-N 398.316 4.317 0 1 GIAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 587193691 DWILIKFZKQWEFB-LBPRGKRZSA-N 387.311 4.387 0 1 GIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586974051 UGPCOHPSCOCCRF-QGZVFWFLSA-N 382.533 4.366 0 1 GIAF Cc1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2c1 586945062 CMMQPUUORUNCJE-UHFFFAOYSA-N 389.527 4.140 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc(O)ccc32)N1 587835151 VMTHDKVAKJMBPH-JEOXALJRSA-N 376.269 4.408 0 1 GIAF COC(=O)C[C@H]1CCCCC[C@]12c1ccsc1CCN2Cc1cccn1C 962399424 PQTGDNHAZXBPGS-VGOFRKELSA-N 386.561 4.484 0 1 GIAF C[C@@]1(c2cc3cc(O)ccc3s2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963222597 GVQHFGDGBCUXNW-PGRDOPGGSA-N 390.464 4.018 0 1 GIAF COC[C@]1(c2cccc(Cl)c2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962634767 LLZCXCQNUPDJBZ-QKKBWIMNSA-N 375.896 4.124 0 1 GIAF O=C1Nc2c(COCCc3ccccc3)ccnc2N(C2CC2)c2ncccc21 5934152 UNVYLNFOQJGLJT-UHFFFAOYSA-N 386.455 4.102 0 1 GIAF CN1C(=O)CCc2c(NC(=O)N[C@@H]3CC[C@@H](c4ccccc4F)C3)cccc21 169704960 HCZOAGMQIGHSPQ-HUUCEWRRSA-N 381.451 4.193 0 1 GIAF O=C(NCc1cccc(F)c1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166881627 OFFHGGJZRHSHBU-UHFFFAOYSA-N 389.430 4.303 0 1 GIAF COc1cccc(-c2c[nH]c3ccc(-c4cncc(NCCN(C)C)n4)cc23)c1 1857637864 BVXJGQKYALRJIJ-UHFFFAOYSA-N 387.487 4.274 0 1 GIAF CC(C)(C)OC(=O)n1c2ccccc2c2c(=O)nc(N3CCCCC3)sc21 5950507 GPXOXNKZSKVRAV-UHFFFAOYSA-N 385.489 4.385 0 1 GIAF CC[C@H](Sc1nnc(C)n2c1cc1occc12)C(=O)Nc1ccccc1F 6894119 MGWLAJTXBNMTLH-KRWDZBQOSA-N 384.436 4.432 0 1 GIAF COc1ccc2c(c1)C[C@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O 13589201 FCXJOLOVMMCCLB-INIZCTEOSA-N 395.474 4.174 0 1 GIAF CCCCc1nc(C)[nH]c(=O)c1Cc1ccc(-c2ccccc2C(=O)O)cc1 13744574 NDTZSKDYNBHALD-UHFFFAOYSA-N 376.456 4.377 0 1 GIAF CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccc(OC)cc2)cc1 13814353 LOXZGCRYBAKNDQ-UHFFFAOYSA-N 378.516 4.363 0 1 GIAF O=C(c1cccs1)c1cnn2c(-c3cccc(NC(=O)C4CC4)c3)ccnc12 28120503 BVGGOIHWEOZOKN-UHFFFAOYSA-N 388.452 4.037 0 1 GIAF COc1ccc2[nH]c(C)c(Cc3nn4c(-c5ccoc5C)nnc4s3)c2c1 28712889 ZDXCFVQNSGBJBQ-UHFFFAOYSA-N 379.445 4.143 0 1 GIAF O=C(Nc1ccccc1Br)c1nscc1NCc1ccncc1 40380717 YOAZXLNLYUIPOO-UHFFFAOYSA-N 389.278 4.165 0 1 GIAF COc1ccc2cc(-c3cccc(NC(C)=O)c3)cc(CCNC(C)=O)c2c1 45495819 PPJMVPWWJVCZKD-UHFFFAOYSA-N 376.456 4.152 0 1 GIAF in-vitro C[C@@H](Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2ccnc(NC3CC3)n2)C1 58559686 TXUGDPXGLXURBO-DLBZAZTESA-N 375.520 4.343 0 1 GIAF in-vitro C[C@@]1(c2cc(NC(=O)c3ccco3)cc(C(F)(F)F)c2)CCSC(N)=N1 96174282 SKMXMJUGNCZGDB-INIZCTEOSA-N 383.395 4.218 0 1 GIAF O=C1C[C@H](c2ccccc2Cl)C(=O)N1CN1CCC(Cc2ccccc2)CC1 96938148 QXYUMXGQSDYVOM-HXUWFJFHSA-N 396.918 4.095 0 1 GIAF N#Cc1cc(-c2ccnc(Nc3cccc(C(=O)O)c3)n2)ccc1N1CCCC1 113826649 OSQIYZJBWPPIEK-UHFFFAOYSA-N 385.427 4.057 0 1 GIAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]ncc1Cl 142647304 CKKPBGQDGVMMJC-UHFFFAOYSA-N 376.847 4.150 0 1 GIAF COc1cccc(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)c1 166230751 PCLCEKFPSJNYRY-UHFFFAOYSA-N 387.439 4.495 0 1 GIAF O=C(OC/C=C/c1ccccc1)C1=CN=C[C@H](C(=O)O)[C@@H]1c1ccc(Cl)cc1 169727735 HGYLJEUCJOQPCM-NKVQNLSVSA-N 395.842 4.349 0 1 GIAF CC[C@@H](C)Oc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1 231376986 RANMHCSIPZBWLI-JLHGSKIFSA-N 397.519 4.114 0 1 GIAF Cc1ccc(-c2oc3c(Cc4cccc(O)c4)c(O)cc(O)c3c(=O)c2O)cc1 238769790 ADYOCVQJQUNOQB-UHFFFAOYSA-N 390.391 4.182 0 1 GIAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccc(F)cc1 586989133 YFPXSNDIUQTRFR-UHFFFAOYSA-N 398.393 4.472 0 1 GIAF CCOC(=O)[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](C)C1 586990160 ANFSJHBFPUKQRD-STQMWFEESA-N 387.435 4.381 0 1 GIAF FC(F)(F)c1cc(Br)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 587085784 HQZRRIFXFFVWQY-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF CC(C)(C)OC(=O)N[C@H](c1nc2c(Br)ccnc2[nH]1)C1CCCC1 587226830 UOGRLHDQGADDFX-LBPRGKRZSA-N 395.301 4.476 0 1 GIAF NCc1cccc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587246613 SVPCQAVZSWCPRV-UHFFFAOYSA-N 386.171 4.350 0 1 GIAF Nc1cccc2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333158 HUVDAZJFLIPSBA-GGAORHGYSA-N 375.399 4.314 0 1 GIAF CC[C@@]1(c2cnn(C)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342434 NKUHTVVRXUWXIJ-UNMCSNQZSA-N 380.419 4.238 0 1 GIAF CCn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 587344711 XYKBYJGZRYTLBK-RBBKRZOGSA-N 380.419 4.330 0 1 GIAF COc1ccc(Cn2cccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587432223 VCNMZBWLDQJWRW-JPYJTQIMSA-N 375.424 4.042 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O)c3nc(O)ccc13)CC2=O 587492097 WSMYCQDAVPTYNL-JOCHJYFZSA-N 379.412 4.185 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccnc2N(C)C)N1 587695303 RFQMSISKWKWBSX-JDNHERCYSA-N 398.707 4.326 0 1 GIAF Cc1ccc2nc(C)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)n2c1 587774294 LZDNPOFKMXHWCE-VOJFVSQTSA-N 388.284 4.476 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1cccnc1-c1ncccc12 587777259 GFNABSZJIGVMSJ-LLVKDONJSA-N 396.263 4.185 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2cc3c(cc2s1)OCO3 587872189 JYGSQLQSNDYPEU-UHFFFAOYSA-N 383.404 4.416 0 1 GIAF Cc1cc2c(cc1F)[C@](CCCCC(=O)O)(c1cccc(N(C)C)c1)NCC2 962096458 YBHXWCLEICDMJU-QHCPKHFHSA-N 384.495 4.234 0 1 GIAF COc1ccc(F)c([C@H]2c3ccsc3CCN2Cc2cccn2C)c1OC 962401161 VSSIGNRNIOVJCH-HXUWFJFHSA-N 386.492 4.391 0 1 GIAF c1cc(N2CCCC2)nc(Nc2ccc(OCCCN3CCCCC3)cc2)n1 1857603670 GMMBJOPAWNTAMN-UHFFFAOYSA-N 381.524 4.075 0 1 GIAF C[C@H](CCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@@H](O)C[C@H]1O 2356344838 GOMRKSMHAWREDI-GQUPQBGVSA-N 388.545 4.014 0 1 GIAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CCCC[C@@H]1C[C@H]3O 2356346812 ZHCAAZIHTDCFJX-GPLZCZRXSA-N 392.580 4.478 0 1 GIAF CCc1nc2c(OCC(=O)C(C)(C)C)cccn2c1N(C=O)Cc1ccccc1 61895804 AOKSJJLWHATHBB-UHFFFAOYSA-N 393.487 4.054 0 3 GIAF O=C1Nc2ccccc2C(=O)[C@@H]2[C@@H](c3ccccc3)C[C@](O)(c3ccccc3)[C@@H]12 5956061 UZEGZIRZTKQDJC-DYZUWXGSSA-N 383.447 4.129 0 1 GIAF COc1ccc(CNCc2c(C(=O)O)c(C)n(Cc3ccccc3F)c2C)cc1 8932435 XZPVAECVURVZAT-UHFFFAOYSA-N 396.462 4.289 0 1 GIAF COc1cc2c(cc1OC)CN(C(=O)[C@H](Nc1ccccc1)C(C)(C)C)CC2 13588123 QMUHEOGCJOCLKU-NRFANRHFSA-N 382.504 4.115 0 1 GIAF CC1=CS[C@](OCC(C)C)(c2ccc(Br)cc2)c2noc(=O)n21 13641920 HPXDOMQHNDRAAF-MRXNPFEDSA-N 397.294 4.038 0 1 GIAF O=C1O[C@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cccc(C(F)(F)F)c1 13740653 QXCVZBAXCMOJRS-QGZVFWFLSA-N 388.345 4.277 0 1 GIAF COc1cc2c(cc1O)O[C@H]1c3c(cc4c(c3OC)C=CC(C)(C)O4)OC[C@H]21 14613208 CEAWIMABVSITMV-LRTDBIEQSA-N 382.412 4.203 0 1 GIAF biogenic CC(=O)c1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccccc2F)cc1 26743576 PROVRGJNMATWLT-UHFFFAOYSA-N 391.324 4.485 0 1 GIAF C[C@]1(Cc2ccccc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 27649353 GUZCUPSFMWJUAV-IBGZPJMESA-N 379.239 4.445 0 1 GIAF Cn1nnnc1Sc1ncnc2scc(-c3ccc4ccccc4c3)c12 36380205 WXSJGULLUWHLNF-UHFFFAOYSA-N 376.470 4.186 0 1 GIAF Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2ccc[nH]2)c2cccnc12 40845969 GBQSJWDTZOBCPL-UHFFFAOYSA-N 387.374 4.110 0 1 GIAF CCN(CC)C(=O)c1ccc(C2=C[C@@]3(CCCNC3)Oc3ccccc32)cc1 56836673 GRPWVPMQIZXAHG-XMMPIXPASA-N 376.500 4.115 0 1 GIAF Cc1nn([C@H](C)c2ccccc2)c(=O)c2ncn3nc(-c4ccccc4)cc3c12 64446483 YXYBIINYZVZKPA-MRXNPFEDSA-N 381.439 4.024 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](OC(C)=O)C[C@@]4(C)CC(=O)[C@@H]32)C1 118928404 GVPGOBSHOOZRBN-NNVRNNGRSA-N 390.520 4.072 0 1 GIAF COc1ccccc1N1CCN([C@@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 169334374 RYBKCSDAQTWVRQ-LOSJGSFVSA-N 388.511 4.292 0 1 GIAF CCN(CC)C(=O)[C@@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 169720760 UGWDMNQJEJSHLO-IAGOWNOFSA-N 379.291 4.370 0 1 GIAF Cc1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2C2CC2)C1 219652726 UJLBYGRXKZZXPT-DNVCBOLYSA-N 375.472 4.211 0 1 GIAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NC[C@@H](O)CC 299882589 QAJHKACOFFCVDL-FASAQXTFSA-N 398.906 4.380 0 1 GIAF CCOC(=O)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587135708 BHTVFKXRZOLUBN-UHFFFAOYSA-N 381.176 4.447 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H]2C[C@H]3C[C@@H]1C[C@@](Br)(C3)C2 587375496 DBIRKMVDEVCBAW-YCPBTLNASA-N 376.294 4.255 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC(=O)c4cccs4)c1)[C@@H](C2)C3=O 587448733 BRRUFYCXUAKPKU-KKSFZXQISA-N 392.432 4.465 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cccn1Cc1cnc(Cl)s1)[C@@H](C2)C3=O 587450929 MELOUAAHMPZUGT-SCLBCKFNSA-N 386.860 4.144 0 1 GIAF C[C@@]1(c2cc(CN3CCOCC3)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 587530687 GTNOEGRSPWSTEJ-QHCPKHFHSA-N 397.540 4.340 0 1 GIAF O=C(O)/C=C/C1=COc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531670 KQBUFHITIFZYNZ-YKATVRGKSA-N 388.419 4.343 0 1 GIAF COc1ncc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551093 CVEOMFQUFZPTRV-LPHOPBHVSA-N 383.787 4.152 0 1 GIAF COc1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587558431 SFMDJZWAWBABNK-GHTZIAJQSA-N 384.334 4.382 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@H]2CCCC2=O)(C(F)(F)F)N1 587709962 PKZNRIOSYCOCGE-OWCSCZDJSA-N 394.206 4.249 0 1 GIAF Cc1ccnc2c1c([C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C 587755563 HUKDBXLCKRUNEM-VOJFVSQTSA-N 388.284 4.407 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2COc3ccccc3O2)N1 587828920 BAPWHQIRLOPAHI-RWTORFTKSA-N 392.268 4.178 0 1 GIAF COc1c(OC(C)C)ccc2c1CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772629420 LSVBPUAPXZSRRQ-KRWDZBQOSA-N 396.531 4.238 0 1 GIAF C[C@]1(c2cccc(C=CC(=O)Nc3ccc(Cl)cn3)c2)CCSC(=N)N1 1857627741 HEBGLNQNACCBPV-LJQANCHMSA-N 386.908 4.263 0 1 GIAF CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4[C@H](OC(C)=O)CCC[C@]4(C)[C@H]3C(=O)C[C@]2(C)C1 2356574948 UWGFXQDWWNQJNN-YNQBBYOGSA-N 390.520 4.072 0 1 GIAF COC(=O)C=C1CC[C@]2(O1)[C@H](C)CC[C@@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@]12C 2356611084 IFXOQBCVGIFCLI-OUSKECTQSA-N 378.509 4.397 0 1 GIAF Cn1cc(CN2CCN(Cc3ccccc3)CC2)c(-c2cccc(Cl)c2)n1 22932682 SBFLNOLXRYREPK-UHFFFAOYSA-N 380.923 4.058 0 3 GIAF C[C@@H](c1ccc(C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1)N1CCCCC1 1911573297 NEWWQZFJOURPLY-RXVVDRJESA-N 386.536 4.039 0 1 GIAF COc1ccc2sc(C(=O)NCc3ccc(OC(C)(C)C(=O)O)cc3)cc2c1 28979036 DHGRMXJBZSJFNZ-UHFFFAOYSA-N 399.468 4.082 0 1 GIAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3ccc(C)c(C)c3)CC2)o1 103291348 MSYFWLGNLNYBJZ-UHFFFAOYSA-N 375.472 4.229 0 1 GIAF NCCCCCN(CCCc1ccccc1)C(=O)Cc1c[nH]c2ccccc12 28825894 BFBYTEMHUBFYBD-UHFFFAOYSA-N 377.532 4.301 0 1 GIAF CC1(C)OC[C@H]([C@]2(C)C=C3[C@@H](CC2)[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C[C@H]3O)O1 2356753130 VRLDAMQNTHAYBJ-VWNSJIEDSA-N 378.553 4.049 0 1 GIAF NC(CO)(CO)CCc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1Cl 49066719 BEAAFTSVQLOZEX-UHFFFAOYSA-N 397.902 4.414 0 1 GIAF COc1cc(CNc2cc(Oc3ccc(F)cc3)ncn2)cc(OC)c1OC 82067454 LMAZNOXAEBHYNE-UHFFFAOYSA-N 385.395 4.046 0 1 GIAF CCOC(=O)c1c(O[C@@H]2CCCC[C@@H]2C)cc(CCc2ccccc2)[nH]c1=O 95586510 IJPVBUQUHPMPMK-QFBILLFUSA-N 383.488 4.294 0 1 GIAF Cc1ccsc1C(=CCCN1CCC[C@@H]1[C@@H](O)C(=O)O)c1sccc1C 299862556 NKHZOCUHILCFHA-IAGOWNOFSA-N 391.558 4.158 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4)nn(C)c1Cl)[C@@H](C2)C3=O 587422511 QJBDFNRQYNLCAJ-XOBRGWDASA-N 380.831 4.238 0 1 GIAF O=C(Nc1cccc(-c2nc3ccc(CCO)cc3[nH]2)c1)c1ccc(F)cc1 587162844 KDEWOZSTAAEOOR-UHFFFAOYSA-N 375.403 4.156 0 1 GIAF O=c1c2cc(Cl)ccc2cnn1-c1nc(C(F)(F)F)nc2ccccc12 587652097 WDGQUTGZBYKDSW-UHFFFAOYSA-N 376.725 4.001 0 1 GIAF COc1ccnc(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587707186 UOJKJRRBVPCFCR-ANRSDYALSA-N 385.664 4.269 0 1 GIAF CSc1ncc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587848747 XRNJXNUVJMNKOC-XYZCENFISA-N 396.329 4.206 0 1 GIAF CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587588251 QERSKZKNMIXDDT-DENIHFKCSA-N 377.396 4.063 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1OC(F)(F)O2 587558936 YJHPTVHRYYMYKI-OXQOHEQNSA-N 398.317 4.417 0 1 GIAF CC(C)[C@H](c1nc2cc3c(cc2[nH]1)OC(F)(F)O3)N(C)C(=O)OC(C)(C)C 587197792 OINNZAYCOYUUFT-CQSZACIVSA-N 383.395 4.448 0 1 GIAF Cc1cc(-n2c(O)cc(-c3cccc(F)c3)c2O)nn1Cc1ccccc1F 587944241 BEZNNMOCKCSOPK-UHFFFAOYSA-N 381.382 4.387 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccccc3)c2)N1 587761513 VBISOBWYAMAFMI-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2c(s1)CCC2 587869984 WWYSMCBBCCEKHA-UHFFFAOYSA-N 393.390 4.211 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(C)nccc3[nH]1)N2 587032305 SQWFACRDUXJMFI-HKMIMPICSA-N 385.518 4.393 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)c(F)c2)N1 587726778 ZUMSTFQRIXEVCF-PWJLMRLQSA-N 382.204 4.049 0 1 GIAF CCCn1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587757105 MVJXHIHTGMAGLU-BBATYDOGSA-N 380.305 4.301 0 1 GIAF CCOC(=O)C[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587795701 JAAHUTNLENHALW-PTAUBWNISA-N 398.316 4.461 0 1 GIAF Cc1c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)nnn1-c1ccc(Cl)cc1 587873518 CMSUBLWCUYPVTO-UHFFFAOYSA-N 395.781 4.026 0 1 GIAF C[C@]1(CC(=O)NCCCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512631 NSNCEDDCHHADMM-RUZDIDTESA-N 391.511 4.428 0 1 GIAF COc1cc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587720091 RAXJZHQEXNFXRX-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF COc1ccc(-c2cccc(-c3nc4ccc(C(N)=O)cc4[nH]3)c2C)c(OC)c1 587928600 FTPDBWQCOBGYSA-UHFFFAOYSA-N 387.439 4.321 0 1 GIAF FC(F)(F)CSc1cc(-c2nc3cncc(Br)c3[nH]2)ccn1 587090950 CIXPKXXQCKFWSD-UHFFFAOYSA-N 389.200 4.437 0 1 GIAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(O)nc(=N)[nH]c2[nH]1 587071694 MMUBPIOBYPMVFU-TXCQAMFQSA-N 390.274 4.144 0 1 GIAF Cc1nc2ccccn2c1[C@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962695826 FRQGRXPDHLYSCU-ZHRRBRCNSA-N 381.520 4.409 0 1 GIAF Cc1cc(F)ncc1[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963756 YZWLEHAMRFSJCR-SFHVURJKSA-N 380.385 4.289 0 1 GIAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc(F)cc(Cl)c3)N12 962672497 UANRNNPXAVMGRS-NQIIRXRSSA-N 384.838 4.215 0 1 GIAF c1ccc(N2CCN3[C@H](c4c[nH]c5cccnc45)c4ccccc4C[C@@H]3C2)cc1 962647749 WJAQADHHBVVMMZ-NLFFAJNJSA-N 380.495 4.399 0 1 GIAF COc1ccccc1Sc1ccc(/C=C/C(=O)N2CCOCC2)c(C)c1C 13470569 RFJIOAWAUUVTFA-PKNBQFBNSA-N 383.513 4.335 0 1 GIAF O=C(Cc1ccccc1)NC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 13470620 WNRYXANMWGNNGK-UHFFFAOYSA-N 376.422 4.029 0 1 GIAF O=c1cc(N2CCOCC2)oc2ccc(-c3ccccc3C(F)(F)F)cc12 13677128 YGLKLMYIVNMZCR-UHFFFAOYSA-N 375.346 4.315 0 1 GIAF Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3cccc(C4CC4)c3)ccc12 1857543906 FZWNIAFAWIMPGK-UHFFFAOYSA-N 378.424 4.493 0 1 GIAF COc1ccc(-c2cnc3[nH]cc(NC(=O)Cc4ccccc4)c3c2)cc1OC 1857600984 WVACAFMWZWKZSG-UHFFFAOYSA-N 387.439 4.428 0 1 GIAF NC(=O)c1cc(-c2c(Cl)cccc2Cl)ccc1N[C@H]1CC[C@H](O)CC1 1857748012 ZDUUEAAGAFKILC-JOCQHMNTSA-N 379.287 4.475 0 1 GIAF O=C1NC(=S)N(Cc2cccc(Cl)c2)CCN1Cc1cccc(Cl)c1 13652009 UCWMXTSXIRVZSO-UHFFFAOYSA-N 394.327 4.306 0 1 GIAF O=C(NCCN1CCCCCC1)c1oc(=O)c2ccccc2c1-c1ccccc1 4972065 UJVUGAKIXVJMJC-UHFFFAOYSA-N 390.483 4.066 0 1 GIAF COc1ccccc1CN(C)CCC/C=C1/OC(=O)c2cc(OC)c(OC)cc21 1911574276 LSAIAHNBROHOSG-RGVLZGJSSA-N 397.471 4.136 0 1 GIAF O=S(=O)(Nc1nccs1)c1ccc(NCc2cccc3cc[nH]c23)cc1 103268893 QQQHALYEHUNHEX-UHFFFAOYSA-N 384.486 4.037 0 1 GIAF COc1cc(C2=CCCCc3c2cc(OC)c(OC)c3O)cc(OC)c1OC 103291481 FKLHWWDXXDTLLY-UHFFFAOYSA-N 386.444 4.203 0 1 GIAF O=C(O)COCCCCOc1cnc(-c2ccccc2)c(-c2ccccc2)n1 28871582 CUMRQUGUQPEUGN-UHFFFAOYSA-N 378.428 4.071 0 1 GIAF c1ccc2nc(COc3ccc(SCCCc4nnn[nH]4)cc3)ccc2c1 28219043 UGLUMKDNDDXQAB-UHFFFAOYSA-N 377.473 4.052 0 1 GIAF CC(C)N(CC[C@](CCN1CC2CCC1CC2)(C(N)=O)c1ccccc1)C(C)C 39254137 XNNKAHOBDJOSAW-GCKKQHTFSA-N 399.623 4.183 0 1 GIAF Cc1nc2ccccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1 40938321 VKZPUEKTTUNOAC-UHFFFAOYSA-N 389.499 4.090 0 1 GIAF O=C1CC[C@H]([C@H](O)/C=C/CCCCCC=C(Br)Br)O1 198355122 CHSPIILKMVACOK-ONYUAGEFSA-N 396.119 4.191 0 1 GIAF Clc1cccc2sc3c(N[C@@H]4CCNC4)nc(-c4ccncc4)nc3c12 223661573 ZWJNBTCOKDPBJG-GFCCVEGCSA-N 381.892 4.334 0 1 GIAF O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O 45259852 TYGOSDVNZPYNSK-UHFFFAOYSA-N 387.374 4.264 0 1 GIAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2ccccc2)C1 82132904 CJJSHGCXNLJKKR-ZWKOTPCHSA-N 378.520 4.395 0 1 GIAF Cn1c(-c2ccsc2)cc2c(Nc3cccc(NS(C)(=O)=O)c3)nccc21 82082232 ZPYBBCLPXRIJQW-UHFFFAOYSA-N 398.513 4.417 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)NC1CCCC1)CC2 40423403 HEXRFGOUGNLTEM-JOCHJYFZSA-N 398.478 4.443 0 1 GIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(N(C)C)c3)cc2)C[C@H]2CC[C@H]1N2C 261101671 GLJUXNMBHHRFQA-SSGKUCQKSA-N 378.516 4.159 0 1 GIAF O=C(Nc1cccc(Br)c1)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2 263590694 ITCHSYNGIOMNDV-ZFVVBOAOSA-N 379.298 4.261 0 3 GIAF O=C(Nc1cc(-c2ccc(Br)cc2)[nH]n1)c1cccnc1Cl 299838544 VBOODGJKJMKNBL-UHFFFAOYSA-N 377.629 4.140 0 1 GIAF O=C(NCCc1ccccc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 299822455 ABBAZHCGAKFMHY-UHFFFAOYSA-N 394.450 4.007 0 1 GIAF COc1ncc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587693416 DEMGOMIYDJDYJV-HUTHGQBESA-N 399.691 4.443 0 1 GIAF CO[C@@H]1[C@H](C)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C12CCC2 587353773 MHCSZFOUSLWTMB-JUBKJITFSA-N 382.431 4.464 0 1 GIAF CN(C)Cc1csc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587615820 ZBKTVGDPNZEVHV-GHTZIAJQSA-N 381.453 4.218 0 1 GIAF COC(=O)C(=O)c1c(-c2cn(C)c3ccccc23)[nH]c2cc(Cl)c(F)cc12 587632146 PXYRTMSWYPDWQA-UHFFFAOYSA-N 384.794 4.475 0 1 GIAF COc1ccc(C[C@@H](C)c2nc3c(F)cnc(Br)c3[nH]2)cc1OC 587926656 MWAOWKSVUNUYKI-SECBINFHSA-N 394.244 4.223 0 1 GIAF Fc1cccc(Cn2nnc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)c2Cl)c1 587161143 KOBWCKVOLJDDSN-UHFFFAOYSA-N 397.628 4.364 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@H]1CC[C@@]2(C)C1(C)C 587818344 QVMJKZYGOKAJNN-GDPFPQQOSA-N 380.301 4.343 0 1 GIAF O=C1C[C@H](Cc2nc3cccc(F)c3[nH]2)c2c(Br)cccc2O1 587004552 WSFZXZPKOTVQGG-VIFPVBQESA-N 375.197 4.100 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]2OCc1ccccc1 587598946 CLTQIJNKWYUSKK-HFMPRLQTSA-N 388.419 4.472 0 1 GIAF CN(C)C1=C[C@@]2(CC(C)(C)C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587572170 OEYGDONMDQVZTF-CVDCTZTESA-N 379.456 4.358 0 1 GIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3ccc(Cl)nc3[nH]2)cs1 587019444 NELFCDOBBJMZTC-UHFFFAOYSA-N 384.852 4.303 0 1 GIAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587167962 BGRLKIFNMGTRNP-QMMMGPOBSA-N 379.185 4.303 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)cc1F)[C@@H](C2)C3=O 587426691 PFBAFNGMLARYCR-SCLBCKFNSA-N 377.209 4.260 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc(N)cc32)N1 587749014 ZNXREHNSYDZJNN-JEOXALJRSA-N 375.285 4.285 0 1 GIAF COc1ccc([C@]2(c3cc(C)cc(C)c3)NCCc3nc4ccccn4c32)cc1 962983061 ADSSFZYDADCKJR-RUZDIDTESA-N 383.495 4.397 0 1 GIAF COc1ccc(C2=Nc3c(nc(SC)[nH]c3=O)N[C@@H](c3ccccc3)C2)cc1 5542973 INZLDVKUKZXJNL-QGZVFWFLSA-N 392.484 4.178 0 1 GIAF COc1ccccc1NC(=O)NCCCOc1cccc(CN2CCCCC2)c1 13725221 OBUBIWBERRXLMA-UHFFFAOYSA-N 397.519 4.272 0 1 GIAF C[C@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2csc(C3CCCCC3)n2)C1 169706505 XFKAPHNFSNSIFR-HOCLYGCPSA-N 399.564 4.012 0 1 GIAF Cc1cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc(C(F)(F)F)c1 169722710 LZRBFYPMZJECHR-UHFFFAOYSA-N 382.363 4.247 0 1 GIAF O=C(Nc1ccc2n[nH]cc2c1)c1cccc(NC(=O)c2cccc(Cl)n2)c1 1857755755 NGXYZJPPAMIZMR-UHFFFAOYSA-N 391.818 4.116 0 1 GIAF CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl 772732 PXDRRCXMPKPSJV-WBVHZDCISA-N 381.234 4.313 0 1 GIAF NC(=O)Cc1nc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)cs1 58581547 AIVBRYKJFWYKFA-UHFFFAOYSA-N 378.375 4.404 0 1 GIAF CC[C@@]1(C(=O)NCCc2cc(Br)cs2)[C@H](C)C1(Cl)Cl 103282919 HSAZOXSTUROZGE-UFBFGSQYSA-N 385.154 4.389 0 1 GIAF CC(C)[C@@H]1C(=O)N2C(C(=O)OCc3ccccc3)=C(Cc3ccccc3)S[C@H]12 26391359 KVCHDIXLACHWHX-DENIHFKCSA-N 393.508 4.371 0 1 GIAF CCCSC[C@](O)(C(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 28107938 TUDSGNCTYBISHU-LBPRGKRZSA-N 376.227 4.369 0 1 GIAF Fc1ccc(-n2c3c(c4cc(F)ccc42)CN(CCc2cnccn2)CC3)cc1 29488462 KAEOLIMAQYKEQB-UHFFFAOYSA-N 390.437 4.300 0 1 GIAF CCN(CC)C(=O)c1cn2c(C)c(C)nc2c2c1CC[C@@H](c1ccccc1)O2 28867105 ORXYJIGPHZLDBC-FQEVSTJZSA-N 377.488 4.499 0 1 GIAF CC(=O)O[C@@H]1[C@@H]2c3oc(-c4ccccc4)cc(=O)c3-c3ccoc3[C@H]2OC1(C)C 2356455913 LRKIXOZDMXDDBU-BVYCBKJFSA-N 392.407 4.446 0 1 GIAF O=C(Nc1ccc(-n2cccn2)cc1)C1CCN(C/C=C\c2ccccc2)CC1 64251742 AGLBIELSRXFKDH-YWEYNIOJSA-N 386.499 4.236 0 1 GIAF COc1cc(C=CCOC(=O)CC(C)C)cc(OC)c1OC(=O)CC(C)C 2356639469 RKTHCRKFQVOZAW-UHFFFAOYSA-N 378.465 4.258 0 1 GIAF Cn1c(O)c(C2=NN(c3ccccc3)[C@@H](c3ccco3)C2)c(=O)c2ccccc21 3846468 NDSIUSCZUQOQCC-LJQANCHMSA-N 385.423 4.193 0 1 GIAF biogenic CO[C@@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1 72116461 VXFHKYALKRURJZ-QHCPKHFHSA-N 395.547 4.289 0 1 GIAF CCCCOc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 72118079 ASLWZHMMBBLTEM-KRWDZBQOSA-N 381.472 4.355 0 1 GIAF NCCCCCNc1nc(Nc2cccc(F)c2)nc(-c2ccc(F)cc2)n1 45367736 SCRMMWRTEUKEAA-UHFFFAOYSA-N 384.434 4.101 0 1 GIAF COc1cc(OC)nc(Oc2ccc(F)cc2C(=O)c2ccc(Cl)cc2)n1 40917997 FACUZGIIKPAUDI-UHFFFAOYSA-N 388.782 4.310 0 1 GIAF CCOC(=O)[C@@H](c1nc2ccccc2[nH]1)n1c(-c2ccccn2)nc2ccccc21 95570927 VQQRWDLEBHTACO-HXUWFJFHSA-N 397.438 4.127 0 3 GIAF COC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CC(=O)O[C@H]1c1ccccc1 142736168 NWKBBOALVUSAHW-HKUYNNGSSA-N 378.346 4.096 0 1 GIAF CCOC(=O)C[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352296 WUEZXRFLKGZHME-FYYLOGMGSA-N 398.430 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1I)O2 587385634 DVMQAXGAVXUVDB-QGZVFWFLSA-N 393.224 4.062 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2[C@H]2CCCCO2)N1 587759451 KZGWTVKVBIMORH-PZDGAKPMSA-N 394.288 4.107 0 1 GIAF Cc1nc(COc2cccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c2)cs1 587020309 MXAFMZCFJDOGTH-GOSISDBHSA-N 379.445 4.298 0 1 GIAF CC(=O)[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587733419 RERVINOTOJOCJK-XTZNXHDOSA-N 380.232 4.094 0 1 GIAF Cc1oc2c(c1-c1nc3cccc(I)c3[nH]1)C(=O)CCC2 586904736 YULAIGQXMKLXHT-UHFFFAOYSA-N 392.196 4.255 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3oc(=O)ccc3c2)N1 587837576 ISCZEIGRBJQNLE-OVWNDWIMSA-N 388.236 4.318 0 1 GIAF Cc1nc2c(C)cccn2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585587 DUVOEROYAWLKIC-PGRDOPGGSA-N 386.407 4.360 0 1 GIAF CC[C@H](C(=O)O)n1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587389406 IAMUOGBTNGOVQU-JPYJTQIMSA-N 392.455 4.448 0 1 GIAF CC(C)(C)C(=O)N=c1cc[nH]cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514990 ZIFHBUDFWZFLJR-HXUWFJFHSA-N 378.472 4.073 0 1 GIAF COc1cccc(OCCn2cccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587390917 OTCMSNAPIZAPLU-JOCHJYFZSA-N 392.455 4.173 0 1 GIAF O=S(=O)(c1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1)C(F)(F)F 587951842 TZYPLSKTZCVMOC-UHFFFAOYSA-N 396.390 4.455 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C[C@H]2N=O 587744016 YOBUKTYXOJLIOH-TZOQJCELSA-N 375.241 4.057 0 1 GIAF COC(=O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1OC 587060553 ITQMRQMAHFTZHT-UHFFFAOYSA-N 383.791 4.334 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-n3c(C)cnc3O)cc1)CC2=O 587470485 KAIDBWHLSWUELI-QHCPKHFHSA-N 392.455 4.425 0 1 GIAF N[C@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)C[C@H]1c1ccccc1F 587154352 DQLKYUQNMZUSLW-MGPLVRAMSA-N 380.648 4.459 0 1 GIAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651008 KMJDVWVQODUKHL-VIFPVBQESA-N 397.645 4.464 0 1 GIAF C[C@]1(Cc2ccc(Cl)cc2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962638717 NLJHTFRZSNUQDB-SJLPKXTDSA-N 399.796 4.295 0 1 GIAF Cc1ccc([C@@]2(c3ccc(F)c(F)c3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962892485 FWVKYIJGQIXHGU-GMAHTHKFSA-N 397.396 4.303 0 1 GIAF C[C@@]1(C2CC(F)(F)C2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963187750 SOFPBHKARPJPHV-OCCSQVGLSA-N 383.744 4.218 0 1 GIAF CN1CCc2c(Br)cccc2[C@]1(c1ccccn1)C1CCOCC1 963279921 LISQNGSANHFDCZ-FQEVSTJZSA-N 387.321 4.002 0 1 GIAF CN1C(=O)C[C@H]2CN[C@]3(CCCc4ccc(Br)cc43)c3cccc1c32 963030151 PVFJCYATFAINMN-LHSJRXKWSA-N 397.316 4.082 0 1 GIAF CC1(C)CCN(CCOc2ccc3c(ccn3CC(=O)O)c2)c2ccccc21 1772632964 WFHOIBUDAVWTBK-UHFFFAOYSA-N 378.472 4.293 0 1 GIAF COc1cccc(-c2nn3cc(Cl)ccc3c2Cc2cccc(C(=O)O)n2)c1 1772646572 DTSITWRKWORXKM-UHFFFAOYSA-N 393.830 4.347 0 1 GIAF COc1ccc([C@H]2CC[C@@H](OCCCn3c(C)nc4cnccc43)O2)cc1OC 11686728 KKDADHNDCVRXHS-KNQAVFIVSA-N 397.475 4.041 0 1 GIAF CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)c2ccc(-c3ccco3)cc2)C1 11873513 AZCGWDRVDSNLGQ-JOCHJYFZSA-N 389.499 4.468 0 1 GIAF O=C(Nc1ccccn1)c1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 13610326 LHPXSAXOPUBKSO-UHFFFAOYSA-N 396.454 4.193 0 1 GIAF c1ccc2c(c1)CC[C@@H]2CCCN1CCN(c2cccc3c2OCCO3)CC1 13743667 IIVTVAYAEPTDFC-FQEVSTJZSA-N 378.516 4.090 0 1 GIAF Cn1c2ccccc2c2cc(CCOc3nccnc3-c3ccncc3)cnc21 169337407 HWUIDMFIUXLYEA-UHFFFAOYSA-N 381.439 4.200 0 1 GIAF O=Nc1c([C@@H]2C(=O)Nc3c2cccc3C(F)(F)F)[nH]c2cc(C(=O)O)ccc12 169729488 GDXXWQNHNKGHNI-GFCCVEGCSA-N 389.289 4.367 0 1 GIAF Cc1ccc2c(CC(=O)O)cn(-c3ccc(F)cc3Cc3c(C)noc3C)c2n1 208730532 HVSDALILRLCKRH-UHFFFAOYSA-N 393.418 4.296 0 1 GIAF Cc1cccnc1N(C(=O)N1CCC(c2ccccc2F)CC1)[C@@H]1CCCNC1 1857585268 RFHJGZZTILPIBA-LJQANCHMSA-N 396.510 4.087 0 1 GIAF COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(C2=CCNCC2)n1C 3942868 AFFNNFBXTKDFOG-UHFFFAOYSA-N 391.446 4.057 0 1 GIAF COc1cccc(OC)c1-c1ccc(C[C@@H](Nc2ccccc2)C(=O)O)cc1 13439220 SDNYETHBJMIURC-LJQANCHMSA-N 377.440 4.479 0 1 GIAF CCCC[C@@H](CC)CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 16040693 NCYLRYJFQRVHOD-OXQOHEQNSA-N 395.547 4.215 0 1 GIAF biogenic c1ccc(-c2cccc(CN3CCN(c4cccc5c4OCCN5)CC3)c2)cc1 26401281 FNEYDYBEZUNJRD-UHFFFAOYSA-N 385.511 4.480 0 1 GIAF CC(=O)OC/C=C1\CCC(=O)[C@](C)(CCC[C@@H](C)C(=O)CC=C(C)C)OC1 27889931 SVHPDBCINSYMAB-WOPLLIFVSA-N 378.509 4.346 0 1 GIAF COc1ccc2[nH]c3c(c2c1)[C@@H]1CCN(C1)[C@H]3C(=O)O[C@H](C)c1ccccc1 40781692 QOYBOGLFRNMXIM-VKIFBMEASA-N 376.456 4.325 0 1 GIAF Cc1ccc2c(N)nsc2c1-c1ccc2c(N3CCOC[C@@H]3C)nncc2c1 40954269 ZVSBBBUKPZBFMP-ZDUSSCGKSA-N 391.500 4.022 0 1 GIAF C[C@H](CNC(=O)CCc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1 42923805 HBNQIERJNJPNRD-GOSISDBHSA-N 387.479 4.476 0 1 GIAF Cc1ccc(CNCC2(F)CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)nc1 64527579 OGZIKQIPNDNKTB-UHFFFAOYSA-N 399.554 4.027 0 1 GIAF CC(C)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CC[C@H]1CCCN1C 82185947 KFCDIHCVPWARLE-GOSISDBHSA-N 396.514 4.185 0 1 GIAF COCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccccc2C)cs1 82195308 OYCGWTJDRVRDFZ-KRWDZBQOSA-N 375.538 4.098 0 1 GIAF COc1ccc(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@@H]4C)C3)cc2)cc1 96929227 GAHOQBHYBQXWSW-LAUBAEHRSA-N 379.504 4.011 0 1 GIAF CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)N[C@H](C)c4ccccc4)c3)C(=O)[C@H]2C1 101087481 SZXLBEAQLHMGMU-HBGVWJBISA-N 388.467 4.023 0 1 GIAF O=C(c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1)N1CCCC1 103243321 VYCUEPAPTLTQNB-UHFFFAOYSA-N 391.515 4.063 0 1 GIAF CCN(CC)C(=O)[C@@H]1C(C)=Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 169720762 UGWDMNQJEJSHLO-SJORKVTESA-N 379.291 4.370 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@]32O)C1 255280920 XMMWYJKJRBYBKW-DLBWEKIMSA-N 376.537 4.281 0 1 GIAF Cc1ccc(-n2cnnc2SCc2nc3ccc(Cl)nc3[nH]2)cc1Cl 586967684 CQOJLRIIBBCUKS-UHFFFAOYSA-N 391.287 4.446 0 1 GIAF Brc1cnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 587002451 FYIHSMANABJCMP-UHFFFAOYSA-N 393.042 4.026 0 1 GIAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(Br)c(O)c3[nH]2)cs1 587021883 QWOCLCDAPZKNFT-UHFFFAOYSA-N 375.251 4.458 0 1 GIAF Cn1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(C(F)(F)F)c1 587112079 KBEZJOSCWRGMEV-UHFFFAOYSA-N 379.567 4.398 0 1 GIAF C[C@]1(c2ncc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332077 ILQDSGKEXMFQQO-NQIIRXRSSA-N 385.341 4.479 0 1 GIAF COC(=O)C[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353684 RUUFROZCDQNLNY-DENIHFKCSA-N 386.419 4.238 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccc3nc(C)sc3c1)O2 587414114 KNIIVHNUASDQQB-NRFANRHFSA-N 395.484 4.248 0 1 GIAF CCOc1ccc(Br)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420529 XUEGVIQZDBCNQZ-AUUYWEPGSA-N 389.245 4.345 0 1 GIAF COc1cc2c3c(c1)O[C@H](CCc1ccc(OC(F)F)c(F)c1)[C@@H](C2)C3=O 587423229 SJHVXWUKRMYIML-UKRRQHHQSA-N 378.346 4.185 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OC(C)(C)C)(C1=COCCC1)CC2=O 587491736 PMIRYQZOXRHRQR-JOCHJYFZSA-N 388.460 4.085 0 1 GIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(Br)cc12 587500459 WXIWOXMAYDOAPH-FQEVSTJZSA-N 398.256 4.141 0 1 GIAF C[C@]1(c2ccc(C(=O)O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557880 POMQXOYUMXRMKT-XMSQKQJNSA-N 394.354 4.107 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncn1Cc1ccccc1 587577444 NWBFFYNOLXYMNL-QPPBQGQZSA-N 398.418 4.340 0 1 GIAF C[C@]1(c2cc(C(=O)O)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609965 AXRZAWZBXZDYIF-OXQOHEQNSA-N 382.393 4.029 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2C(=O)C(F)F)N1 587722047 XTLAOARFRHRFPR-CINOJJQCSA-N 390.243 4.342 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]2NC(=O)OC(C)(C)C)N1 587741851 IRSSYLGFERZFRD-LNSDYSHSSA-N 399.304 4.005 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N(C)C)c2)N1 587755453 OKRYLXPEHKNYQE-CWTRNNRKSA-N 377.301 4.452 0 1 GIAF COC(=O)[C@@H]1CCC(C)(C)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587809396 RHPGIBZWRQXSIP-AGMRTUQYSA-N 398.316 4.317 0 1 GIAF COC(=O)c1csc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587846062 GMDNEVLXKIDCJJ-HUTHGQBESA-N 398.297 4.234 0 1 GIAF Ic1cnc2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 587950619 DHTUKOPBYBWGPU-UHFFFAOYSA-N 391.212 4.161 0 1 GIAF COC(=O)C[C@@H]1CCCCC[C@@]12c1ccsc1CCN2Cc1cccn1C 962399063 PQTGDNHAZXBPGS-JTSKRJEESA-N 386.561 4.484 0 1 GIAF O=C(CC[C@@]1(c2ccccc2)NCCc2nc3ccccn3c21)c1ccccc1 962985587 QBUBNKWVABFDNC-VWLOTQADSA-N 381.479 4.387 0 1 GIAF Cc1ccc([C@@]2(CC3C(=O)CC(C)(C)CC3=O)NCCc3c(C)ccnc32)cc1 963073576 VRODZWPYFKNWOI-RUZDIDTESA-N 390.527 4.052 0 1 GIAF O=C1CC[C@@]2(CCN1Cc1ccccc1)c1c(F)cccc1C[C@H]1CCCN12 963100933 JBLYYNPURIEKBN-HYBUGGRVSA-N 378.491 4.254 0 1 GIAF Cc1ccccc1NC(=S)N[C@@H](CC(C)C)NC(=O)/C=C/c1ccccc1 1772582929 OUWUIDGJELXUOZ-AIGDTVQASA-N 381.545 4.483 0 1 GIAF Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)Cn2c-3nc3ccccc32)cc1 1857564620 HUMLFWHMNBLYTM-UHFFFAOYSA-N 382.423 4.216 0 1 GIAF CCCCN(C)C(=O)CCCOc1cc2ccc(=O)oc2c2c1OC(C)(C)C=C2 1857571751 XTBAEZWZTKIAOG-UHFFFAOYSA-N 399.487 4.395 0 1 GIAF Cc1ccccc1-c1cc2nc(NCCOc3ccccc3)n(C)c(=O)c2s1 61906734 SUOKVQUUHRWWIH-UHFFFAOYSA-N 391.496 4.461 0 3 GIAF CCOC(=O)[C@@H]1CCCN([C@H](c2ccccn2)c2c(C)[nH]c3ccccc23)C1 169300794 FPXBSNFPTGKXLT-VGOFRKELSA-N 377.488 4.236 0 3 GIAF COc1ccccc1N1C(=O)N[C@@H]2C[C@]1(C)Oc1ccc(Br)cc12 2468506 HCBWVYGKMXDQQT-ACJLOTCBSA-N 389.249 4.227 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N1CCOCC1 4216486 XOEYQTIHDBGUJN-RTBURBONSA-N 396.890 4.352 0 1 GIAF COC[P@](=O)(O)[C@@H](CCCc1ccc(-c2ccccc2)cc1)P(=O)(O)O 13742100 NZPUAFQASWYNAS-GOSISDBHSA-N 398.332 4.054 0 1 GIAF O=C(Nc1cc(F)ccc1F)[C@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32 26163619 UYDYGHBMEHKGCU-IBGZPJMESA-N 394.352 4.409 0 1 GIAF CN(C)CCCOc1ccc(OCc2ccccc2Cl)c(CN(C)C)c1 28703632 CEBAPERBUVESRP-UHFFFAOYSA-N 376.928 4.311 0 1 GIAF Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@@H]2CCN(C3CCCC3)C2)cc1 40938795 WXHMKENPFHORLL-OAQYLSRUSA-N 389.499 4.090 0 1 GIAF CCCC[C@@H](CC)CNc1nc(NC[C@@H](C)O)c2cc(OC)c(OC)cc2n1 82129375 XXIVLPLOWPFXAC-HUUCEWRRSA-N 390.528 4.068 0 1 GIAF Cc1ccc([C@](SCCN)(c2ccccc2)c2cccc(C(N)=O)c2)cc1 95581087 LGPILDOYGVIDKB-HSZRJFAPSA-N 376.525 4.078 0 1 GIAF COc1ccc(-c2cnc3c(NC(=O)NC(C)(C)C)ccnc3c2)cc1OC 117571370 CYDLLRAWQLOGHD-UHFFFAOYSA-N 380.448 4.234 0 1 GIAF Cc1cnc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)s1 261131703 LHVUZIHFLUPGOR-SAABIXHNSA-N 395.532 4.291 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586885885 AIAQLDFHBQLLET-QSLMVLCRSA-N 387.549 4.061 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 586938579 KNCOHAAXVGMCTJ-VIFPVBQESA-N 399.850 4.238 0 1 GIAF CCn1cc(Br)c(Cc2nc3cc(C)cc(Br)c3[nH]2)n1 587002227 XQJIUJNHSGCUIF-UHFFFAOYSA-N 398.102 4.204 0 1 GIAF O=S(=O)(O)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587047767 MOVIFSARODLVDJ-ZJUUUORDSA-N 383.256 4.388 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3ccc(C(C)=O)cc3[nH]2)[C@@H]1c1ccccc1Cl 587060621 BJJQAKYTSHYYFZ-QRWLVFNGSA-N 381.863 4.496 0 1 GIAF Oc1nccc2nc(CCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587110566 AMIXAYGJJPWKIY-UHFFFAOYSA-N 375.272 4.486 0 1 GIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587152255 YPHBLJBDYMVAPO-LLVKDONJSA-N 397.385 4.040 0 1 GIAF COc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1C 587173019 QCVKQYADRSLRGZ-UHFFFAOYSA-N 381.382 4.475 0 1 GIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(Cl)ncc2[nH]1 587258217 BADRVXHIZVYIET-HNNXBMFYSA-N 379.851 4.183 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCOc3ccc(O)cc32)[C@@H]1c1ccc(F)cc1 587361431 YQHBQNKLXOFNAG-GGAORHGYSA-N 392.382 4.274 0 1 GIAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 587379004 ZDJMHVDNPVQMGI-GOSISDBHSA-N 376.250 4.229 0 1 GIAF Cc1ccc(CN2C(=O)[C@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)cc1 587399612 KWJBUVRXGHDZSP-VWLOTQADSA-N 398.462 4.293 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(O)cc(Br)c1O)CC2=O 587455355 BABAXAGGQNRSFB-INIZCTEOSA-N 393.233 4.225 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1F 587470693 GNMQPBCUFPEKMO-UWJYYQICSA-N 393.455 4.028 0 1 GIAF O=C(O)CC[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603641 OOCOWWXFZKQKIM-BPSNYSSFSA-N 382.412 4.148 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cnn3C)cc2F)N1 587727777 DIFHHFSOMVCSJQ-YYSFKGJASA-N 392.247 4.238 0 1 GIAF COc1ccc2c(c1F)CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587738549 PFBWIMXQLUUCPP-APBUJDDRSA-N 394.259 4.460 0 1 GIAF COc1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc(OC)c1O 587785025 HAHRBQJVJGKAPN-UHFFFAOYSA-N 389.280 4.002 0 1 GIAF COc1cccc(CC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 587862646 TZVHPVOTCBXGMT-UHFFFAOYSA-N 390.361 4.469 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1cc(C)cn1 587866013 APSCMMJEWSPNIS-ZDUSSCGKSA-N 392.381 4.374 0 1 GIAF COc1ccc(CCCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1OC 587925345 MUCJTEAKTMNTBF-UHFFFAOYSA-N 380.423 4.080 0 1 GIAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587952935 DWVFCLCLCRETFY-AWEZNQCLSA-N 395.484 4.106 0 1 GIAF Cc1cc(C)n(C[C@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)n1 961776936 ALZDOCJHXOKCGQ-FQEVSTJZSA-N 396.535 4.393 0 1 GIAF CCOC(=O)C(C)(C)[C@@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962643037 OXRUUKLUYXDYLX-PXDATVDWSA-N 392.543 4.238 0 1 GIAF COc1cccc2cc3c(nc12)[C@]1(CCCCC[C@@H]1C(=O)C(F)(F)F)NCC3 963049228 BHWARQGDVPJRGZ-FOIQADDNSA-N 392.421 4.296 0 1 GIAF Cc1ccnc2c1CCN[C@@]2(C)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2 963070627 PAYOEVAVNBPOKP-DEOSSOPVSA-N 393.531 4.092 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cnc(-c2cccc(C)c2)nc1 963604711 FDXVMPCMJJGVLD-NYHFZMIOSA-N 375.472 4.093 0 1 GIAF Nc1ncc(-c2cn(Cc3ccccc3F)c3c(F)cc(F)cc3c2=O)s1 1772629597 ZRMCBAINHFHGAD-UHFFFAOYSA-N 387.386 4.173 0 1 GIAF CC(=O)c1ccc(NC(=O)COc2cc(C)nc(C3CCC(C)CC3)n2)cc1 1857551176 XUGWOTBXQJOXIH-UHFFFAOYSA-N 381.476 4.299 0 1 GIAF CC[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Br)cc1 1911570935 XPELFAAZPBQLTI-HNNXBMFYSA-N 391.265 4.050 0 1 GIAF CC(=CCCc1ccoc1)CC=C[C@](C)(O)CC[C@@H](O)[C@@]1(C)CCC(=O)O1 2356442663 LMCVGYPFPPMZGR-BAGYTPMASA-N 376.493 4.093 0 1 GIAF COc1cccc2c1-c1ccc(N(C)S(C)(=O)=O)cc1[C@@H](c1ccccc1)O2 26180683 WWJZOFGIUZFPHR-JOCHJYFZSA-N 395.480 4.240 0 1 GIAF COc1ccc(CCc2ccc(NC(=O)c3ccccc3O)cc2)cc1OC 28099995 MXPYFICRRZTDFE-UHFFFAOYSA-N 377.440 4.447 0 1 GIAF C[C@]12CC[C@@H](O)C[C@H]1CCC1=C3C[C@H](O)[C@H](c4ccc(=O)oc4)[C@@]3(C)CC[C@H]12 2356600269 GJXJCPZVJOLKQN-LVOMYRHUSA-N 384.516 4.162 0 1 GIAF NC(=O)c1cccc(Oc2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c1 64540244 NVBQMVSXZLXEBB-UHFFFAOYSA-N 390.321 4.010 0 1 GIAF Cc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccc(F)cc2n1 72138411 PMGLGZDZXSNWIM-UHFFFAOYSA-N 383.854 4.298 0 1 GIAF COc1cc(-c2nc(CNC[C@@H](C)c3ccccc3)co2)cc(OC)c1OC 72183915 NBLYSNUPKFYEFB-OAHLLOKOSA-N 382.460 4.261 0 1 GIAF CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1cccc2c1CCCC2 45196017 GIOIRHLGHSRLOA-UHFFFAOYSA-N 398.576 4.149 0 1 GIAF CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](C(=O)O)C(C)C)co2)cc1 82069961 WSOCBHCAIPYAJA-GOSISDBHSA-N 388.464 4.140 0 1 GIAF Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3C(=O)O)cc2F)cn1 224744797 AYHDJEZXLXSGAY-UHFFFAOYSA-N 377.297 4.249 0 1 GIAF CNC(=O)c1ccccc1-c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144740013 BWBGNVRXIYRVQS-NRFANRHFSA-N 383.369 4.492 0 1 GIAF Cc1cc(-c2ccc(C(=O)O)cc2)c(OCCO)c(-c2ccc(C(=O)O)cc2)c1 95582616 CTJFTRWMBBRNNP-UHFFFAOYSA-N 392.407 4.097 0 1 GIAF CC[C@]1(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)CC(=O)c2ccccc2C1 587960300 KRNMRZKDAFBCIG-HSZRJFAPSA-N 375.472 4.033 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc[nH]2)(C(F)(F)F)N1 587711152 WBUKBILGPHTRMX-XLKFXECMSA-N 377.179 4.256 0 1 GIAF COc1cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Cl 587147821 BRVVKDQMNFNTDU-LLVKDONJSA-N 391.805 4.019 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(C(C)(C)C)nc4[nH]3)cc12 587038017 PBKOUXIQTAOBSD-NSHDSACASA-N 396.520 4.003 0 1 GIAF Clc1cnn2c(-c3nc4cc5c(cc4[nH]3)OCO5)cc(-c3ccccc3)nc12 587081317 NRXZIRYQXNKKHM-UHFFFAOYSA-N 389.802 4.322 0 1 GIAF Cn1nnc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1C(F)F 587129232 UMCSACXWCFCPDS-UHFFFAOYSA-N 396.117 4.077 0 1 GIAF Cc1nn(C(C)C)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582638 QOJNSBBUTHWAKB-SIKLNZKXSA-N 378.428 4.489 0 1 GIAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586909574 YPOQJYLTCBVSEF-MRVPVSSYSA-N 385.292 4.193 0 1 GIAF Cc1cc2c(cn1)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349302 UHYTVRDSCMEXTB-GMAHTHKFSA-N 375.399 4.435 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c1cnn3-c1ccccn1)CC2=O 587481998 YMRNAKMCQKDQPU-HSZRJFAPSA-N 389.455 4.122 0 1 GIAF C[C@H](NC(=O)OC(C)(C)C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587751184 WUCRKPCVTLEGHG-HFBDOXOYSA-N 387.293 4.077 0 1 GIAF CCn1c(=S)sc2c(NC)nc(SCC(=O)c3ccc(F)cc3)nc21 957653537 ZWYCXBHZWDZSDV-UHFFFAOYSA-N 394.522 4.398 0 1 GIAF CC(C)c1nn(C)c2c1[C@](COCc1ccccc1)(c1ccc(F)cc1)NCC2 962914242 DSJMSZHPOUYRQT-DEOSSOPVSA-N 393.506 4.289 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1cn(-c3ccccc3)nc1C)N(C)[C@H](C)C2 962574942 QMVQPKGKUKGOJW-CMJOXMDJSA-N 377.488 4.164 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]21CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 963269247 GZBJDXILSYZTKK-LHSJRXKWSA-N 394.943 4.357 0 1 GIAF CCOC(=O)c1cccc([C@]2(CC(C)(C)C)NCCc3c(C(=O)O)cccc32)c1 963122468 NHYOZBQDIAHIFN-DEOSSOPVSA-N 395.499 4.387 0 1 GIAF CC[C@@]1(CC(=O)C(F)(F)F)c2cccc(F)c2CCN1[C@H]1CCSC1 962702020 LYERVHNVHCLYJS-YVEFUNNKSA-N 375.431 4.316 0 1 GIAF C[C@H]1CCC[C@@H](NC(=O)[C@H]2c3ccccc3C(=O)N2Cc2cccs2)[C@@H]1C 13144257 GBUAIQSYTFUVOO-KQEPKPNTSA-N 382.529 4.386 0 1 GIAF CCCCCCNS(=O)(=O)NC(=O)Oc1c(C(C)C)cccc1C(C)C 13747452 DBNHYEZPPDVRPS-UHFFFAOYSA-N 384.542 4.437 0 1 GIAF O=S1(=O)c2cccc3cccc(c23)N1CCN1CC=C(c2ccccc2)CC1 13823498 GGWHOXVBCOIHCB-UHFFFAOYSA-N 390.508 4.138 0 1 GIAF COc1c(-c2ccc(O)cc2)oc2c3c(cc(OC)c2c1=O)OC(C)(C)C=C3 14503434 VNNMTQJSNKAONW-UHFFFAOYSA-N 380.396 4.367 0 1 GIAF endogenous,in-man CNc1cc(/C=C/c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1 14957776 UJBAOFINUSTMCY-YJJPMGAVSA-N 399.498 4.119 0 1 GIAF CC1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3cc(F)ccc23)CC1 201537310 DQKXBFHVVNNMDE-UHFFFAOYSA-N 384.476 4.443 0 1 GIAF COc1cccc(-c2nc3ccccc3c(=Nc3ccc(OC)c(OC)c3)[nH]2)c1 1857744335 PKJKNHPJEVFATH-UHFFFAOYSA-N 387.439 4.488 0 1 GIAF COC(=O)C[C@H]1[C@@H](Cc2ccccc2)C[C@@H]2[C@@H](Cc3ccccc3)C[C@H]1N2C 13776450 XXQUTIIQIQULCG-ZROJVYTPSA-N 377.528 4.360 0 1 GIAF COc1cccc2c1CC[C@@H]1[C@@H]2CCCN1C/C=C/I 13781528 ZLFDVCPLJJNNHI-IZSSFWRRSA-N 383.273 4.138 0 1 GIAF CCN(CC)C(=O)/C=C(\C)c1ccc(Oc2ccccc2)c(OCC(=O)O)c1 13782707 YSGSJSXBWTXSSX-DTQAZKPQSA-N 383.444 4.214 0 1 GIAF CC(C)Cc1ccc(-c2nc(-c3ccc([C@H]4CC[C@@H](C(=O)O)N4)cc3)no2)cc1 36178463 XXVGJGHFHPWZAV-UXHICEINSA-N 391.471 4.480 0 1 GIAF Cc1nc(CCNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cs1 66123092 ZIUWAOTYEMBDRI-UHFFFAOYSA-N 390.468 4.445 0 1 GIAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](C)[C@@H](C)C2 68590539 VEQBQKQQMKJDES-RYUDHWBXSA-N 386.444 4.412 0 1 GIAF biogenic O=C(O)[C@@H]1CSc2c(C3CC3)c(COc3cccc4ccccc34)cc(=O)n21 71318942 IVSRRHQXGBPNST-KRWDZBQOSA-N 393.464 4.189 0 1 GIAF CCOc1ccccc1-c1nc(CN2CCN(c3cccc(OC)c3)CC2)co1 72184588 PBSKFKDBVHAUQP-UHFFFAOYSA-N 393.487 4.071 0 1 GIAF COc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl 82153855 TVJQXBHBSKEAII-UHFFFAOYSA-N 381.819 4.248 0 1 GIAF Cc1cccc(-n2nnc(Cc3ccccc3)c2-c2ccc3nccnc3c2)n1 95584570 JJGZCRIGMWAVIF-UHFFFAOYSA-N 378.439 4.172 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4C=C(O)[C@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@]12C 100738363 LNBRDPIYZGBLLR-ORSBDTAMSA-N 384.564 4.466 0 1 GIAF COc1cc(C(=O)c2sc3c(OC)cc(N)cc3c2C)cc(OC)c1OC 103233967 QQDHODMFOPQMAE-UHFFFAOYSA-N 387.457 4.057 0 1 GIAF COc1ccc(Nn2c(SCC(=O)c3cccc(OC)c3)nc(C)c2C)cc1 103243303 ICAWTKJFDUHWPT-UHFFFAOYSA-N 397.500 4.367 0 1 GIAF CN1Cc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4c(F)cccc43)cc2NC1=O 143441250 YJTCYPOVXABWKI-QGZVFWFLSA-N 398.438 4.227 0 1 GIAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2cccc3nonc23)nc1 145029338 VHTWUASBZGXMRY-UHFFFAOYSA-N 380.404 4.302 0 1 GIAF CC(C)c1ccccc1-c1ncc(F)c(NC[C@@H]2CCN(c3cnccn3)C2)n1 169302978 QKSSCBIPOQWSMH-INIZCTEOSA-N 392.482 4.135 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169338536 GNWBLLYJQXKPIP-SVWLCPBZSA-N 388.596 4.334 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)c(Cl)ccc3[nH]2)cc1 586939107 YEVHKCNRLWUBHW-LLVKDONJSA-N 377.897 4.269 0 1 GIAF O[C@H](c1ccc(Br)cc1)c1nc2cccc(Br)c2[nH]1 586998049 WOZWJGCWVYTFEX-CYBMUJFWSA-N 382.055 4.170 0 1 GIAF Cc1cc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c(C)n1 587001688 PGTBJYJCBRKWCH-ARJAWSKDSA-N 386.249 4.279 0 1 GIAF CN1CCN(c2ccc3[nH]c(-c4ccc(-c5nccs5)cc4)nc3c2)CC1 587022951 AGIAJGYBDOQWAO-UHFFFAOYSA-N 375.501 4.105 0 1 GIAF FC(F)(F)c1ncc2nc(-c3ccccc3OCc3cscn3)nc-2[nH]1 587029115 IBCYMYVLNZYYJN-UHFFFAOYSA-N 377.351 4.026 0 1 GIAF FC(F)(F)c1cccc2nc(C(F)(Br)Br)[nH]c12 587088566 OSEBGICWGJXZGB-UHFFFAOYSA-N 375.945 4.451 0 1 GIAF COC(=O)c1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cn1 587094788 HKSSDMCDMGRMLC-UHFFFAOYSA-N 389.255 4.449 0 1 GIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)cc2N1 587125435 FHXVSYWQPSPVTL-KBUNVGBDSA-N 390.291 4.148 0 1 GIAF COc1cc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c2cn1 587144349 IUTUJFKPJHODIQ-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF COC(=O)c1cccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c12 587163845 UYWQUSJBVIVMJX-UHFFFAOYSA-N 389.386 4.408 0 1 GIAF CC(=O)N[C@H](Cc1nc2cc(Br)cc(C)c2[nH]1)c1ccc(C)cc1 587205994 IJIIXLHSPLDVNR-MRXNPFEDSA-N 386.293 4.362 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccnc(Br)c2[nH]1)C(C)(C)C 587206968 ZFDQJACKLZFMMY-NSHDSACASA-N 397.317 4.202 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3c(Cl)c(Cl)cnc3[nH]2)CCC(=O)CC1 587234948 BFMRULPVCCYXFT-UHFFFAOYSA-N 399.278 4.128 0 1 GIAF Cc1ncc2c(n1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344595 HEXIVVSSAPSCGA-GMAHTHKFSA-N 390.414 4.220 0 1 GIAF O=C(O)c1ccc(-c2ccccc2-c2ccc3c(O)nc(O)nc3n2)cc1Cl 587368169 CRNXLQXCNZEKNI-UHFFFAOYSA-N 393.786 4.122 0 1 GIAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1csc4ccccc14)[C@@H](C2)C3=O 587452452 NITAJBOOMNDYKW-NYHFZMIOSA-N 394.448 4.418 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C(c4ccccc4)=COc4cc(O)ccc41)[C@@H](C2)C3=O 587454734 WNODBQNIYSCDMO-DFBJGRDBSA-N 398.414 4.477 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1nc(Br)ccc1OC)CC2=O 587461791 ZEPZQHIJECQICK-HNNXBMFYSA-N 392.249 4.217 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](CCCNC(=O)OCc1ccccc1)CC2=O 587470413 MPFJUDBBWNYPPT-QGZVFWFLSA-N 397.471 4.385 0 1 GIAF CCOC(=O)C(=O)C[C@@]1(C2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587525218 TZRWRAWMLMJJJJ-XMMPIXPASA-N 398.499 4.372 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](C)N(C)C)N1 587743567 XDADBOSAVDMXCQ-JZKQVHKSSA-N 391.328 4.316 0 1 GIAF CC(C)n1ccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587761632 BLUYIUCWCIFBFJ-KZULUSFZSA-N 380.305 4.358 0 1 GIAF CCOc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587767470 AXSDIBNQGIDUJY-ZMZPIMSZSA-N 379.273 4.180 0 1 GIAF COc1cncc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587776628 YJKDKUOGRUPOJD-BZNIZROVSA-N 379.273 4.200 0 1 GIAF Cc1cc(C(=O)O)sc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587845755 SCFNERBFBQXLAR-CLAHSXSESA-N 384.270 4.280 0 1 GIAF CCOc1cc(C(C)=O)c(OCC)n1[C@H](COc1cc(F)cc(F)c1)N=O 587945594 ONMAFURKBCGHDE-MRXNPFEDSA-N 382.363 4.110 0 1 GIAF O=C(O)c1cc(F)cc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961613934 IUTVMACXZJUBHI-MRXNPFEDSA-N 376.225 4.054 0 1 GIAF CN1CCc2c(Br)cccc2[C@@]1(C)c1ccc(C(=O)O)c(F)c1 963289621 OUOYQFMTJHRONE-GOSISDBHSA-N 378.241 4.038 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(C)n(-c2nccs2)c1C 963665114 GGWVVXSPGCACPS-FKIZINRSSA-N 383.517 4.191 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3cccc(C)n3)CC1)C2 1204069674 ZBPKNQIMVQSMLB-IBGZPJMESA-N 394.515 4.065 0 1 GIAF C[C@@H]1Oc2c(cc(C(=O)Nc3nccs3)c3c2C=CC(C)(C)O3)C(=O)[C@@H]1C 1772637765 BVDMOQMNUFYYTC-MNOVXSKESA-N 384.457 4.179 0 1 GIAF O=C(N=c1[nH]n(Cc2cccc(C(F)(F)F)c2)c2ccccc12)c1ccoc1 1857564127 PRIVSDZPAYAIPY-UHFFFAOYSA-N 385.345 4.371 0 1 GIAF Cc1cc(F)c(Cl)cc1NC[C@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 1857566215 PJKDFQYNBVBUQX-KSSFIOAISA-N 396.915 4.287 0 1 GIAF Cc1ccc(Cn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)cc1 1857655639 BHPBVHSFDSZGKN-UHFFFAOYSA-N 384.365 4.106 0 1 GIAF COc1ccc(C(=O)N2CC(=O)Nc3ccc(C)cc3[C@H]2c2ccccc2)cc1 2724207 FCKJKCCHURNIAY-HSZRJFAPSA-N 386.451 4.188 0 3 GIAF Cn1c(NCCc2ccncc2)nc2cc(-c3cccc(Cl)c3)sc2c1=O 61897160 RRSIGRZKYDETIF-UHFFFAOYSA-N 396.903 4.365 0 3 GIAF COc1ccc(OC)c(NC(=O)[C@@]2(C)CCN2Cc2ccc(SC)cc2)c1 61903532 PMEHKIXMFNGMBJ-OAQYLSRUSA-N 386.517 4.029 0 3 GIAF Cc1nc2cc(Oc3nc(NCCN(C)C)nc4ccsc34)ccc2s1 61925962 QNRYHCVFLQSUAB-UHFFFAOYSA-N 385.518 4.375 0 3 GIAF CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccn2)[C@H]1c1c[nH]c2ccccc12 2469286 NHVYNJARUXPAOG-FCHUYYIVSA-N 396.450 4.112 0 1 GIAF CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCCCOC 2478119 FUWMTZWDIPYPGC-UHFFFAOYSA-N 398.434 4.313 0 1 GIAF CN1CCC(c2coc3ccc(NC(=O)c4c(F)cc(F)cc4F)nc23)CC1 13588432 GXBIYXIMLSXCCJ-UHFFFAOYSA-N 389.377 4.307 0 1 GIAF CO[C@@H](C)C(=O)N(c1ccccc1)[C@H]1CCN(CCc2cccs2)C[C@@H]1C 26728606 LZKVXBQOOPUNCP-WFXMLNOXSA-N 386.561 4.069 0 1 GIAF Cc1csc2nc([C@H](C)NC(=O)/C=C/c3c(F)cccc3Cl)oc(=O)c12 27519142 NFVCTWNLBQCTJW-FGEFZZPRSA-N 392.839 4.241 0 1 GIAF CC(C)Sc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)O)cn1 28821781 LEMXTLPBFGVEPO-UHFFFAOYSA-N 395.278 4.295 0 1 GIAF O=C(O)c1cn(Cc2ccc(-c3cccs3)cn2)c2c(F)cccc2c1=O 45339894 FPTDKHXRBCBUDG-UHFFFAOYSA-N 380.400 4.011 0 1 GIAF Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@H]2CC[C@H](N3CCCC3)C2)cc1 45484532 RWNXKETUEWVUIP-FPOVZHCZSA-N 389.499 4.090 0 1 GIAF O=C(Nc1ccc(F)cn1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166627951 SMVZZLLMCJJHNP-UHFFFAOYSA-N 376.391 4.021 0 1 GIAF COc1ccc(Cn2cc(O)n(-c3cccc(Cl)c3)c2=S)cc1OC 169693315 NJZXHQYZHADKLB-UHFFFAOYSA-N 376.865 4.433 0 1 GIAF C[C@H]1C(=O)[C@H](C)[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@H]1c1ccccc1 195399274 FZHGLOCDHOYYLD-DPZOUVDISA-N 387.483 4.049 0 1 GIAF CC(C)c1cc2c(N3CCCN(C4=NCC(C)(C)S4)CC3)ncnc2s1 198339242 DSTGDQDRPBCLJD-UHFFFAOYSA-N 389.594 4.208 0 1 GIAF COc1ccc(C(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1O 238756318 BEKZGSZBVDHRTH-PABCKOPISA-N 388.504 4.470 0 1 GIAF N[C@@H]1CN(c2nccc(-c3ccsc3)n2)C[C@H]1c1ccc(Cl)cc1Cl 253659127 ISIAZPQCRKPGLU-GOEBONIOSA-N 391.327 4.443 0 1 GIAF CCCOc1ccc(CCN2CCN(CCCc3ccccc3)CC2)cc1OC 299825226 XPHITMMUIGFGET-UHFFFAOYSA-N 396.575 4.277 0 1 GIAF COc1cc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)ccc1Cl 299833608 HTNAMLRIFFJKLH-UHFFFAOYSA-N 394.906 4.069 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586915339 CYTLASKLXZLJOG-BLVKFPJESA-N 386.354 4.101 0 1 GIAF CCc1cc(O)nc(SCc2nc3cc(Br)c(C)c(C)c3[nH]2)n1 586968109 NBXUNJPTHBLXSM-UHFFFAOYSA-N 393.310 4.293 0 1 GIAF O=Cc1cc(Br)cc(-c2nc3ccc(Br)c(O)c3[nH]2)c1 586981264 GOTOLVPPLQIVLT-UHFFFAOYSA-N 396.038 4.273 0 1 GIAF CCOC(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587079823 KVWCYTOWDRCOGH-OAHLLOKOSA-N 382.851 4.117 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(C(F)(F)c3ccccn3)nc2c1 587089132 KLPNGLCQHOLSMP-UHFFFAOYSA-N 396.191 4.037 0 1 GIAF COc1ccc(C)cc1NCCCc1nc2cc(Br)cnc2[nH]1 587227926 CVSIDJLYFZQEBW-UHFFFAOYSA-N 375.270 4.082 0 1 GIAF Nc1cccc(O)c1-c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587249033 AMPXWNDYKXTPAQ-UHFFFAOYSA-N 388.143 4.179 0 1 GIAF Cc1nn(C)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342258 MMFXASCRXRESGI-IRLDBZIGSA-N 380.419 4.156 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]2C1 587518787 PRLPSEYEGQDGJE-KFCXZAFISA-N 383.488 4.156 0 1 GIAF COCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572018 QHIRNQFVPUHVIZ-NZQKXSOJSA-N 394.398 4.425 0 1 GIAF Cn1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1-c1ccccc1 587578402 ACNZLRDFATZELL-GBXCKJPGSA-N 398.418 4.496 0 1 GIAF Cc1ccc2nc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cn2c1 587587341 MKKBUTBQPOKNTH-NZQKXSOJSA-N 386.407 4.225 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccccc1 587591282 CBXZEQOFNSFHGK-WMZHIEFXSA-N 384.391 4.485 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccc(F)cc3[nH]2)N1 587727342 BLGBFCLHVHQUKT-BCTVWOGZSA-N 378.220 4.227 0 1 GIAF COc1cccc2c1CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587810771 UMWLVDOJDMJVBQ-WYRIXSBYSA-N 376.269 4.321 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CC1CCNCC1 587859983 OBIIFZSCKLRSBL-UHFFFAOYSA-N 382.291 4.286 0 1 GIAF CCN(CC)c1ccnc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1 587863214 VGGIGTGVXJHLPU-UHFFFAOYSA-N 391.397 4.203 0 1 GIAF CCOC(=O)CC[C@]1(c2cc(F)c(F)cc2Cl)NCCc2c(C)ccnc21 963066293 GHLYZFOJAZSEBT-HXUWFJFHSA-N 394.849 4.054 0 1 GIAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCc2ccccc2C1 2356303062 LDKZZKWADLZROZ-CYBMUJFWSA-N 382.847 4.247 0 1 GIAF C[C@H]1CCCC[C@H]1NC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1 5135465 PYTFYZUUDYGSOF-FUHWJXTLSA-N 399.560 4.086 0 3 GIAF O=C(NC[C@H]1CCCN(Cc2ccccc2F)C1)c1cccc(C(F)(F)F)c1 12387103 DOYFKNLJAZNGFT-OAHLLOKOSA-N 394.412 4.487 0 3 GIAF CCc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc[n+]([O-])cc2)cc1 12432425 FNGZXNPODUHAQJ-XMMPIXPASA-N 397.478 4.152 0 3 GIAF CC[C@]1(c2ccccc2)C(=O)N(C(=O)OC(C)(C)C)N1C(=O)OC(C)(C)C 36386413 KVZILFRCSVJALB-FQEVSTJZSA-N 376.453 4.221 0 3 GIAF Cc1ccc([C@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 61923798 BEJDZVFFWORYPM-YPAWHYETSA-N 394.544 4.075 0 3 GIAF CCOc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C(Cl)[C@H](c4ccccc43)[C@@H]2C1=O 5175278 BIUBPNDUNFZVLJ-GAZPGATBSA-N 379.843 4.208 0 1 GIAF CCc1nc2cccnc2n1-c1ccc(CC(=O)N2CCc3ccccc3C2)cc1 6900963 NDBMRZWSWWCSQV-UHFFFAOYSA-N 396.494 4.110 0 1 GIAF COc1ccc([C@@H]2Cc3cc(Cl)ccc3N(CCN(C)C)C(=O)[C@@H]2C)cc1 13450653 KAUCXYNHKPNTGX-FOIQADDNSA-N 386.923 4.219 0 1 GIAF O=C(CCC1CCCCC1)N[C@@H]1N=C(c2ccccc2)c2ccccc2NC1=O 13606615 ABIZILFXGUEEKM-HSZRJFAPSA-N 389.499 4.279 0 1 GIAF CC(C)CN(C=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13740907 NXXBOHRMYWWVFA-WIEXBFLVSA-N 388.596 4.333 0 1 GIAF Cc1ccn(-c2cccc(C(F)(F)F)c2)c(=O)c1-c1ccc2nc(N)ncc2c1 16052721 HXUZQEYFKAZBPX-UHFFFAOYSA-N 396.372 4.357 0 1 GIAF in-vivo CS(=O)(=O)Nc1ccc(CCN(Cc2ccccc2)Cc2ccccc2)cc1 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COc1ccc(C)cc1NCCCc1nc2c(F)cnc(Br)c2[nH]1 587229018 LUWJWKFERDGYES-UHFFFAOYSA-N 393.260 4.221 0 1 GIAF N=c1ncc(-c2cccc(-c3nc4ccc(F)c(Br)c4[nH]3)c2)c[nH]1 587254856 RKJVEROLODJJGE-UHFFFAOYSA-N 384.212 4.001 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c1cnn3[C@H]1CCCCO1)O2 587389986 FAYZUXPCFJDNBI-LEWJYISDSA-N 377.444 4.333 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(C(=O)c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587422366 UCJBMAQZRMIJAG-IFXJQAMLSA-N 376.330 4.103 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCN(C)C)(c1ccc(OC)cc1)CC2=O 587467606 FLAZIPYQZDFKDQ-QHCPKHFHSA-N 383.488 4.166 0 1 GIAF Cn1ncc2c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc21 587581200 KTBUNMZTRLCQRX-OFNKIYASSA-N 386.407 4.156 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2nnco2)cc1 587589262 WVHLDLWIRGOZQY-WIYYLYMNSA-N 386.363 4.145 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1nc(Cl)sc1C2 587616919 HGFGBZFCUYADGU-OXJNMPFZSA-N 399.855 4.391 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)[nH]2)N1 587680367 IRGFQQSYHMKUNS-NXSYQRQQSA-N 388.078 4.302 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CN(C)C)c2)N1 587741491 NMSBOEXNSXRSTN-HXPMCKFVSA-N 377.301 4.273 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cccc(N)c32)N1 587744105 GGKUOPNQNNJOTB-WLRWDXFRSA-N 375.285 4.285 0 1 GIAF CC(=O)c1cc(N)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587744720 IFYQFSNJDSSMNS-DGIBIBHMSA-N 391.284 4.171 0 1 GIAF CCn1ncc([C@@]2(CC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587763733 LRUMOXOGZMRROY-BBATYDOGSA-N 380.305 4.301 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)C2)N1 587769777 QEYHEOGOIPFKGY-VBKZILBWSA-N 389.312 4.224 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3ccccc3n2)N1 587779417 SEDFRRZSRUJBLH-WLRWDXFRSA-N 386.268 4.329 0 1 GIAF Nc1ccc(-c2cc(O)n(-c3cc(F)c(Br)cc3F)c2O)cc1 587944198 ZOFGZPXDQYWIPD-UHFFFAOYSA-N 381.176 4.178 0 1 GIAF COc1ccc2oc(N)c([C@H]3NCCc4cccc(-c5ccccc5)c43)c(=O)c2c1 962664678 KEACCHXOZMPZBO-QHCPKHFHSA-N 398.462 4.286 0 1 GIAF COCc1cnc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)s1 962961515 VHBMENTVUYJQFS-INIZCTEOSA-N 398.450 4.049 0 1 GIAF CCOc1ccc([C@@]2(CCC(=O)O)c3c(F)cccc3C[C@H]3CCCN32)cc1 963098731 JBLFMHQJNLVYBW-JPYJTQIMSA-N 383.463 4.353 0 1 GIAF CC(=O)Oc1ccccc1[C@@]1(c2cc(F)cc(F)c2)NCCc2ccc(O)cc21 963339754 BMMPQNDOJXUZOY-HSZRJFAPSA-N 395.405 4.033 0 1 GIAF N[C@@H]1CCCN(c2cncc(-c3ccc4[nH]cc(-c5ccccc5F)c4c3)n2)C1 1857750943 BGKFEQIYJGJHTL-MRXNPFEDSA-N 387.462 4.359 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(=O)CO)CC[C@H]32)C1 2356642951 AGKUVCXEPCJNMJ-CVUFKTFRSA-N 376.537 4.138 0 1 GIAF O=C1[C@@H](c2ccncc2)N(CCC2=CCCCC2)C(=O)CN1C1CCCCC1 3037712 FIWLCMQMHSJMAX-JOCHJYFZSA-N 381.520 4.017 0 3 GIAF COc1ccc(NC(=O)[C@@]2(C)CCN2Cc2ccc(C(C)C)cc2)cc1OC 61928218 HHUHPQNLYFEBDD-HSZRJFAPSA-N 382.504 4.430 0 3 GIAF O=C1CN(C(=O)Cc2ccccc2)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2494120 DPPVPRBCFGWIQE-QHCPKHFHSA-N 392.405 4.078 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCCN1CCCC1 4211884 SCKXAUKYHWIWGI-YADHBBJMSA-N 385.552 4.303 0 1 GIAF CC1=C[C@H](CNC(=O)C2CCC2)[C@@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 2356287039 XFIPNSYECQWJTN-IPMKNSEASA-N 380.536 4.271 0 1 GIAF CS(=O)(=O)c1ccc(-c2nc(N[C@@H]3CC=CCC3)cc(C(F)(F)F)n2)cc1 103170818 FXYRVVWCHMNASL-CYBMUJFWSA-N 397.422 4.087 0 1 GIAF Cc1cnc(NC(=O)[C@H]2C(=O)N3c4ccc(F)cc4Cc4cc(F)cc2c43)s1 100658452 SHHHLOJKQBMKAQ-INIZCTEOSA-N 397.406 4.035 0 1 GIAF CCOc1cc([C@@H]2C(C(=O)OC)=C(C)N=C3C2=C(O)c2ccccc23)ccc1O 104027350 LNLWWPZRYRTGNH-LJQANCHMSA-N 391.423 4.107 0 1 GIAF C[C@H](C(=O)Nc1ccc([C@@H]2CCNC2)cc1)c1cccc(OC(F)(F)F)c1 117730621 WVSFHQCMHLKFOQ-XJKSGUPXSA-N 378.394 4.404 0 1 GIAF COc1ccc(OC)c([C@@H](O)c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)c1 61905165 GEPSUUJJHQJWBE-QGZVFWFLSA-N 378.350 4.194 0 3 GIAF Cc1cccc(OCc2ccccc2-c2nn(CN3CCOCC3)c(=S)o2)c1 64446902 WSOYJIITXHGOSX-UHFFFAOYSA-N 397.500 4.050 0 1 GIAF O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCCCC3)cc(O)c12 28565927 AUNFBKIGPWRXQY-UHFFFAOYSA-N 379.456 4.420 0 1 GIAF CC(=O)OCC(=CC(=O)O)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)CCC[C@@]12C 2356615974 OEWYXUOBTOXNMX-KNKQGSTJSA-N 378.509 4.112 0 1 GIAF CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(F)cc1 28823165 OXDRUSUGTYNQAM-ZDUSSCGKSA-N 385.888 4.355 0 1 GIAF C[C@]1(C(=O)Nc2cccc3c2CCCC3)CCN1C(=O)C1(c2ccccc2)CC1 61929970 MOROASAPSWLYDT-XMMPIXPASA-N 388.511 4.227 0 3 GIAF CC(C)C[C@H]1NC(=O)c2ccc(Cl)cc2-n2c1nc1cc(F)ccc1c2=O 61949369 RUTDAIRTEUCABM-MRXNPFEDSA-N 385.826 4.009 0 3 GIAF CNC(=O)Nc1snc(S[C@H](c2ccc(Cl)cc2)C(C)C)c1C(N)=O 36348967 VKPWSFHSZDMYGW-LBPRGKRZSA-N 398.941 4.136 0 1 GIAF COCCCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc(C)c1 82145092 XKCLOVWFPRGRHB-UHFFFAOYSA-N 396.535 4.211 0 1 GIAF CC(C)N(c1ccc([C@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 84713654 VYWWAGISJXXVTQ-KRWDZBQOSA-N 387.423 4.060 0 1 GIAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3ccc(Cl)cc3)no2)CC1 82153913 HHIFUPYWAHXBMB-UHFFFAOYSA-N 387.789 4.439 0 1 GIAF Fc1cccc(Cl)c1CN1CCN(c2ncc(Cc3ccccc3)cn2)CC1 199271340 RPYSGIBJDYGUSI-UHFFFAOYSA-N 396.897 4.182 0 3 GIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587108597 DSYDWJYVZBLXOV-UHFFFAOYSA-N 390.296 4.272 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccnc(Br)c1 587657243 SDVKAHYMLMPDKI-UHFFFAOYSA-N 396.219 4.349 0 1 GIAF Cc1nn(C)cc1-c1cc(C(F)F)nc(-n2nc3cc2Oc2ccc(F)cc2-3)n1 587873654 GDIXLYDNPNWBBZ-UHFFFAOYSA-N 398.348 4.221 0 1 GIAF COc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1N 587339494 UJHBATWKJXDPRI-NZQKXSOJSA-N 393.414 4.396 0 1 GIAF CN(C)c1nccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541019 CYAMFDVTBUZSCZ-FXAWDEMLSA-N 396.830 4.210 0 1 GIAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587950336 BIKLBHVBKGPSHI-AXHNFQJDSA-N 382.508 4.365 0 1 GIAF CCOC(=O)[C@H](Cc1cccc(C)c1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399790 MFPXCLUTFMVACD-MBSDFSHPSA-N 381.472 4.032 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(O)cc3C2)N1 587830486 CNUDPBAZEMDDEX-WYRIXSBYSA-N 376.269 4.212 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CCC[C@H]2CC(C(=O)O)C1 587828633 UOSFVYLDHYXISX-QEHPBXTJSA-N 396.300 4.229 0 1 GIAF O=S(=O)(/C=C\c1nc2cc(Cl)cc(Br)c2[nH]1)c1ccccc1 586925618 HXYZNTIABHFNDU-SREVYHEPSA-N 397.681 4.423 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)c[nH]c3nccc2-3)N1 587727380 BYBXFRFIZZDQNV-VPTHRUTESA-N 378.220 4.179 0 1 GIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cccc(I)c3[nH]2)cc1 586893955 WNWSHRPLRIMXOT-MEDUHNTESA-N 392.240 4.313 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ncc(Cl)cc1Br)[C@@H](C2)C3=O 587414080 RQNFYNSXGLGFRC-APPDUMDISA-N 394.652 4.169 0 1 GIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)cnc2[nH]1 587926558 IPAYPOANPWBUNH-LBPRGKRZSA-N 376.254 4.280 0 1 GIAF c1ccc(N2CCN3[C@H](c4cnc5ccccn45)c4ccccc4C[C@@H]3C2)cc1 962648669 XYIJXVVHZMEXLB-BWKNWUBXSA-N 380.495 4.171 0 1 GIAF CC1(c2ccccc2)CC2(C1)N[C@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962645131 UPMVBGRFHBRGKD-KKXNLOMOSA-N 391.389 4.131 0 1 GIAF CCCc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)s1 962638691 NKWUXDZDTARPAI-GDBMZVCRSA-N 385.407 4.288 0 1 GIAF Cc1cc(C)cc(OCC(=O)N(Cc2cccc(Cl)c2)C2CCNCC2)c1 13437335 YVQFPSIMOIWTLC-UHFFFAOYSA-N 386.923 4.116 0 1 GIAF Cc1nnn(C23C[C@H]4C[C@H](CC(CC(=O)Nc5ccc(C)c(Cl)c5)(C4)C2)C3)n1 13483485 BNIKBLBYQYVLRK-XBLGPDGASA-N 399.926 4.268 0 1 GIAF CCCc1nc(C)c(C(=O)O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13745619 PFFPAYLZOPSNLI-UHFFFAOYSA-N 378.428 4.256 0 1 GIAF NC1=N[C@@H](CCc2ccc(Nc3cc(C(F)(F)F)cc(Cl)n3)cc2)CO1 169701179 ORIHPMGUDXLUGK-ZDUSSCGKSA-N 384.789 4.144 0 1 GIAF Nc1ccccc1NC(=O)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1 205554094 QHVBNBAQZHLXKB-UHFFFAOYSA-N 385.423 4.197 0 1 GIAF O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773411 LQNPARKDORYGBC-CVEARBPZSA-N 386.448 4.243 0 1 GIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CC[C@]3(CCOC3=O)O2)[C@]2(C)CCCC(C)(C)[C@H]12 2356340430 OVICILMSQORLAX-ICYGICRUSA-N 378.509 4.025 0 1 GIAF CCOc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 101217111 ZMGRVWMXWPRHFE-PQZYZXGRSA-N 381.564 4.198 0 1 GIAF COc1ccccc1OCCNCCOc1ccccc1OCc1ccccc1 64416809 PAEDPQXLBJMTGG-UHFFFAOYSA-N 393.483 4.322 0 1 GIAF CC=Cc1cc(OC)c(O[C@H](C)Cc2cc(OC)c(O)c(OC)c2)c(OC)c1 2356466502 INGQOQQCQKLKSZ-CQSZACIVSA-N 388.460 4.470 0 1 GIAF COc1cc(-c2nc(CNC[C@H](C)c3ccccc3)co2)cc(OC)c1OC 72183914 NBLYSNUPKFYEFB-HNNXBMFYSA-N 382.460 4.261 0 1 GIAF C=CC1=C(C(=O)NCc2ccc(Cl)cc2)[C@H](c2ccc(OC)c(OC)c2)OC1 82158200 BPVHUEYAUTVLIO-NRFANRHFSA-N 399.874 4.228 0 1 GIAF Fc1ccc2nc(-c3ccccc3)[nH]c2c1CN1CCC(N2CCCC2)CC1 45190647 JJSWYCVNBPTSDY-UHFFFAOYSA-N 378.495 4.429 0 1 GIAF CCc1cccc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)c1 142463172 SGALJFCABCEXLM-MDWZMJQESA-N 392.480 4.129 0 1 GIAF C[C@]1(c2cc(CC(=O)c3ccc(Cl)cn3)ccc2Cl)CCSC(N)=N1 96174377 HSIDEQBZANKCSI-GOSISDBHSA-N 394.327 4.481 0 1 GIAF CC[C@H](Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1)C(=O)O 653805767 ITPZHTIFMDNXPY-OAHLLOKOSA-N 379.378 4.289 0 1 GIAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(C(=O)O)cc3[nH]2)cc1F 587144062 HWCYLTATKBVPDW-UHFFFAOYSA-N 390.370 4.307 0 1 GIAF CC(C)c1nccnc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655866 CIJMKABLTBJFPU-UHFFFAOYSA-N 378.382 4.244 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1N1CCOC1=O)CC2=O 587475120 MDQTVRVGPFRKOY-QFIPXVFZSA-N 381.428 4.182 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 587356597 KGPGBVBIWSTEMR-JTHBVZDNSA-N 392.382 4.274 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccccn1)(c1ccccc1Cl)[C@@H](C2)C3=O 587417223 AUSWIXYVFLHOMF-AOMKIAJQSA-N 377.827 4.435 0 1 GIAF O=S(=O)(CCc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc2c(c1)CCC2 586920822 RQJIJSYANRDIGW-UHFFFAOYSA-N 394.418 4.087 0 1 GIAF COc1ccc2c(C)c(CCc3nc4cc(Cl)ncc4[nH]3)c(=O)oc2c1C 586918532 NTQFVPVXDXTXFM-UHFFFAOYSA-N 383.835 4.128 0 1 GIAF NS(=O)(=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949581 IBXMRDNPUDBDKO-JLHYYAGUSA-N 391.452 4.173 0 1 GIAF CN(C)CCOc1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074882 FFROCQVKYVEGLD-OAQYLSRUSA-N 398.938 4.494 0 1 GIAF Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C(C)C 587763092 HXMKBRNMXKNMPT-ADLMAVQZSA-N 380.305 4.472 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(=O)OC(C)(C)C)[C@@H]1C)CC2=O 587477396 XTZQWELGJTTYTA-PEBXRYMYSA-N 389.492 4.468 0 1 GIAF Cn1cc(Cl)cc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655566 NHYBBTYBRILJNA-UHFFFAOYSA-N 399.784 4.022 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)nc1OC)CC2=O 587475885 QQMRDMQPXXZBHK-LJQANCHMSA-N 382.460 4.055 0 1 GIAF COc1c(F)cc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554294 CXGOADKRYMUCMX-UWJYYQICSA-N 384.334 4.382 0 1 GIAF Nc1c(-c2nc3c(Cl)ncnc3[nH]2)sc2cc(Br)ccc12 587031885 QDONOCPCXWDOEH-UHFFFAOYSA-N 380.658 4.233 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3cc(C(=O)OC)ccc13)CC2=O 587487895 YKHCAUJSRFSTAQ-HSZRJFAPSA-N 393.439 4.493 0 1 GIAF CO[C@@H]1[C@H](C)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C12CCC2 587354022 MHCSZFOUSLWTMB-MUSMQVLASA-N 382.431 4.464 0 1 GIAF CC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587575500 CIUGGQBZTSNLMD-OFNKIYASSA-N 389.407 4.228 0 1 GIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(I)cc3[nH]2)cc1 586886608 FOHQHGNTDDJWEC-BZNIZROVSA-N 392.240 4.313 0 1 GIAF CNc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1N 587745870 XBUKZGFXLZFAGE-XTZNXHDOSA-N 378.289 4.010 0 1 GIAF Cc1ccc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587355614 VOYQOPGPSPBZQX-OFNKIYASSA-N 392.382 4.179 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1snnc1C 587860987 IFWVCXDLXOHODT-UHFFFAOYSA-N 383.260 4.104 0 1 GIAF CC(C)=CCN1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587769317 ONZZTLFDKQDGJT-CQSZACIVSA-N 381.333 4.380 0 1 GIAF Cc1c(O)ccc2c1[C@](C)(c1ccc(Cl)c(C(F)(F)F)c1)N[C@H](C(=O)O)C2 963494201 YEBQMFYUSRSBGX-KSSFIOAISA-N 399.796 4.235 0 1 GIAF COc1c(Br)cncc1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963093071 BEDXOPHJXSNMFB-DYVFJYSZSA-N 377.257 4.102 0 1 GIAF CCOCCCNC(=O)CSCc1nc(-c2ccc(SC)cc2)oc1C 5057556 BSWTVJIFRHUOOO-UHFFFAOYSA-N 394.562 4.148 0 3 GIAF CCCc1cc2c(cc1O)C(C)(C)[C@@H](CCc1ccc(S(C)(=O)=O)cc1)O2 13453251 XYEJRYLUIHMXES-OAQYLSRUSA-N 388.529 4.420 0 1 GIAF COc1cc2oc(-c3cc(O)c4c(c3)C=CC(C)(C)O4)cc(=O)c2c(O)c1C 14611534 WVODPTIXOWVJNY-UHFFFAOYSA-N 380.396 4.372 0 1 GIAF biogenic C[C@@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@H]1N1CCCCC1)OCO3 16958563 BZKPASBEIZXLFA-JRVVOHRXSA-N 395.455 4.116 0 1 GIAF O=C(Nc1ccc2n[nH]cc2c1)c1cccc(NC(=O)c2cc(Cl)ccn2)c1 1857641491 IHNMUUKLBQZLHI-UHFFFAOYSA-N 391.818 4.116 0 1 GIAF CNC(=O)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(OC)c2)o1 588648 DMPIZWVYFFQKQT-UHFFFAOYSA-N 390.399 4.108 0 1 GIAF Cc1cccc(-c2nc(C[S@](=O)CC(=O)N[C@@H](C)c3ccccc3)c(C)o2)c1 5057947 JFWORTVDCIYIFT-DEXQXJORSA-N 396.512 4.085 0 1 GIAF CCc1nc(C)c(CN2CCOc3ccc([C@@H](O)C4CCCCC4)cc3C2)[nH]1 11881010 BWPZJKHLILHELG-QHCPKHFHSA-N 383.536 4.289 0 1 GIAF CN(CCO)CCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1 13454389 GIIVHFWCPKIQJN-UHFFFAOYSA-N 395.499 4.323 0 1 GIAF CCc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1 13742549 FRTMDNYWWMUKLV-UHFFFAOYSA-N 376.500 4.075 0 1 GIAF O=C(OC1CCCCC1)c1ncn2c1[C@H]1CCCN1C(=O)c1cc(Cl)ccc1-2 13828261 XIKOBWCKVKGTIK-QGZVFWFLSA-N 399.878 4.306 0 1 GIAF COc1cc(C[C@@H](C)[C@H](C)[C@@H](OC(C)=O)c2ccc3c(c2)OCO3)ccc1O 14646546 PKUUYHBOLBVMTE-ALLJEULLSA-N 386.444 4.249 0 1 GIAF CCC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(/C=C/I)cc1)N2 34010327 ZSIIPJGEQMLBAQ-XJSFADDLSA-N 395.284 4.296 0 1 GIAF Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1 34886731 QKPLUKMJEKRAJD-UHFFFAOYSA-N 394.435 4.427 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)CCC[C@]4(C)[C@@H]3CC[C@]12C 40684749 ARCONGNMKCTCRP-JJUKPPQNSA-N 388.596 4.382 0 1 GIAF COc1ccc([C@H]2CC3(N(C)C)C[C@@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1 40812438 ZKWMIFWZIBHEBK-PAZWHPHWSA-N 381.516 4.046 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](Cc1cccc(CN3CCCCC3)c1)C2 40900854 DDWFGGYILGYLLT-FQEVSTJZSA-N 379.500 4.287 0 1 GIAF CNC(=O)c1cc(Oc2ccc3oc(Nc4ccccc4F)nc3c2)ccn1 71333415 NHCJCHFTBCCHIX-UHFFFAOYSA-N 378.363 4.257 0 1 GIAF CN(C)Cc1cc(I)ccc1Sc1ccccc1N 95593142 GTPAPSXOSQWTAV-UHFFFAOYSA-N 384.286 4.086 0 1 GIAF O=c1c(Oc2ccc(CO)cc2)c(Cl)cnn1Cc1cccc2ccccc12 95594492 AVMGWMFSIPBMIB-UHFFFAOYSA-N 392.842 4.383 0 1 GIAF CC1(N2CCC(n3c(=O)c(C(=O)O)nc4ccccc43)CC2)CCCCCCC1 114713100 RZCYRGAAFXTVPD-UHFFFAOYSA-N 397.519 4.235 0 1 GIAF COC(=O)C(C)(C)NC(=O)c1ccc(C)c(Nc2ccc(Cl)cc2Cl)n1 150271877 SJHNRQFOHFFIFU-UHFFFAOYSA-N 396.274 4.122 0 1 GIAF COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1 205909125 DPMHDCFAIUFGEP-UHFFFAOYSA-N 389.333 4.303 0 1 GIAF CCN(CC)c1nc2c(Cn3nc(C(=O)O)cc3C)cc(Cl)cc2s1 208112090 JXCJHGVPDXUWCB-UHFFFAOYSA-N 378.885 4.047 0 1 GIAF C[C@](O)(c1ccc(-c2cc3c(C(=O)O)n[nH]c3cc2Cl)cc1)C(F)(F)F 216022308 OWLIKKFNXZIYMS-INIZCTEOSA-N 384.741 4.351 0 1 GIAF COc1cccc(C(=O)N(C)c2ccc3[nH]c(-c4n[nH]c5ccccc45)cc3n2)c1 299864590 MOKNTTMQTZSBKK-UHFFFAOYSA-N 397.438 4.391 0 1 GIAF COc1cc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1F 587041700 DLIIAQVIXODKJN-OAHLLOKOSA-N 377.828 4.020 0 1 GIAF COc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1Cl 587118814 QRPWGJVFDLKHET-UHFFFAOYSA-N 397.744 4.144 0 1 GIAF Cc1cncc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c12 587154162 LPOPOAXPMAHYLS-UHFFFAOYSA-N 376.391 4.090 0 1 GIAF CN(CCc1nc2cccnc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587194591 VZKGERFSSAFKQC-UHFFFAOYSA-N 398.466 4.381 0 1 GIAF CCCC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353968 SHLYCTCYQOMQDJ-RBBKRZOGSA-N 386.419 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3occc3C(=O)O)cc1)O2 587403594 JBRKJTNVHAHRFW-LJQANCHMSA-N 393.395 4.154 0 1 GIAF COC(=O)C[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442675 KLDNBSKJQWEVBT-HOYKHHGWSA-N 394.467 4.199 0 1 GIAF Cc1cc(C(=O)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587559638 YIYLALHDWXFVDH-PGRDOPGGSA-N 378.355 4.053 0 1 GIAF CC(C)[C@]1(Cc2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587326 NPEZJJKTIXBYTI-REWPJTCUSA-N 375.424 4.386 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1nc(Cl)sc1C2 587616918 HGFGBZFCUYADGU-JXFKEZNVSA-N 399.855 4.391 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c(F)cccc32)N1 587737816 HOIWSLOCMYXYMG-MGNBDDOMSA-N 380.232 4.288 0 1 GIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(N)c1C 587749649 PXCICNQMLAVQRQ-GIGQVBGESA-N 393.300 4.285 0 1 GIAF Cc1ccc2nc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2c1 587775496 RDBNJNXMUWFLGS-BUXKBTBVSA-N 388.284 4.342 0 1 GIAF CCOC(=O)[C@H](C(C)C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797093 LQNGLAWGDWJSIK-PBQZTSCYSA-N 386.305 4.173 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)[nH]c3ccccc23)N1 587804104 RBTDKYOFLMNDOY-XLFHBGCDSA-N 375.241 4.399 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2COc3ccccc3O2)N1 587833683 OQISJJGNOHLAFX-RIPJAXHCSA-N 392.268 4.178 0 1 GIAF O=C1c2ccccc2Nc2ccccc2N1Cc1cn(Cc2ccccc2F)nn1 653810056 RKLRFKNYTRWJAM-UHFFFAOYSA-N 399.429 4.370 0 1 GIAF CC(C)c1cc(O)ccc1[C@@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962664029 KHZSSICKSYKJHQ-XUZZJYLKSA-N 390.483 4.252 0 1 GIAF c1coc(CN2CCc3sccc3[C@@H]2c2cnc(-c3cnccn3)s2)c1 962712693 VTPBIQSKYSOYTD-GOSISDBHSA-N 380.498 4.402 0 1 GIAF CC(C)c1nn(C)c2c1[C@H](c1cn(Cc3ccccc3)c3ncccc13)NCC2 962910826 NFESFBRIXQEUAJ-QHCPKHFHSA-N 385.515 4.177 0 1 GIAF CCC[C@@]1(CCC(C)=O)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963178396 JRMNHZYSVHTIBJ-WBVHZDCISA-N 391.817 4.322 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)CCc1ccc(OC(C)=O)cc1 963636474 RDLRQBSIENVFAQ-IQMFZBJNSA-N 383.488 4.011 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(Br)ccc3C2)cc1 1772614023 VAVRQBHWFKIFBZ-AWEZNQCLSA-N 387.321 4.205 0 1 GIAF Nc1ccccc1NC(=O)c1ccc(NC(=S)NCc2cccc(F)c2)cc1 1772617405 QDGAIJLWNSWLIL-UHFFFAOYSA-N 394.475 4.147 0 1 GIAF COC(=O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 1772632852 MMWNZGZGWZLPRB-SNNIXTECSA-N 392.580 4.176 0 1 GIAF CSc1ccc(C[C@]2(O)c3c(Cl)ccc(Cl)c3C3=NCCN32)cc1 1857539511 IASZAVSESWHCPT-SFHVURJKSA-N 379.312 4.179 0 1 GIAF O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)Cc1cccc(F)c1F 1857636169 BDSXISDOWCIXTN-UHFFFAOYSA-N 391.414 4.495 0 1 GIAF CC1=C[C@H](CNC2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 2356286652 KCWGKCAEYJRNSQ-ZVDOUQERSA-N 395.595 4.039 0 1 GIAF C[C@H](NC(=O)c1cc(COc2ccc3ncccc3c2)on1)c1ccc(F)cc1 13636752 WTZRWGVMBROIEU-AWEZNQCLSA-N 391.402 4.432 0 3 GIAF CCN(CC)C(=O)c1cccc(-c2csc([C@@H](O)c3ccc(OC)cc3)n2)c1 61903173 NKOFJYXOIKTAOU-FQEVSTJZSA-N 396.512 4.382 0 3 GIAF CC(C)(C)CNC(=O)[C@@]1(C)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61905713 FRDFFTPNTHSKJF-XMMPIXPASA-N 378.516 4.049 0 3 GIAF Cc1c2c(c(O)c3c1O[C@]1(C)CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@H]1C3)C(=O)OC2 2356369813 IRHNVLPQCCHRLJ-KQACMCHDSA-N 398.499 4.486 0 1 GIAF CCN(CC)c1nc(C)nc2sc(C(=O)Nc3ccccc3OC)c(C)c12 2925912 SLJBULKLTSIUHR-UHFFFAOYSA-N 384.505 4.415 0 1 GIAF CCCCCCC1(c2ccc(Oc3ccccc3)cc2)C(=O)NC(=O)NC1=O 3993364 CQGUKDZSAPDCJL-UHFFFAOYSA-N 380.444 4.053 0 1 GIAF O=C(/C=C/c1ccncc1)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 1911580805 HNSDNZMAEXZZRP-UNXLUWIOSA-N 379.366 4.264 0 1 GIAF COc1ccc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)cc1 6483905 BMKFXNMFVDIFAA-IBGZPJMESA-N 392.484 4.266 0 1 GIAF COC(=O)CCCCCCC[C@H](OC)[C@H](O)CCCCCCCC(=O)OC 2356499364 BJCDRXBSMHOVFY-MOPGFXCFSA-N 388.545 4.170 0 1 GIAF CC(=O)OC[C@@H]1c2cc(C(C)=O)ccc2[C@]2(C)CCC[C@](C)(COC(C)=O)[C@H]12 2356583659 CURFKBQZBNWQKE-PNJWGLBASA-N 386.488 4.177 0 1 GIAF O=C(N1CCCCC1)N1CC(O[C@@H](c2ccccc2)c2cccnc2Cl)C1 73258807 YBKPVQPSTHTVBI-IBGZPJMESA-N 385.895 4.131 0 1 GIAF Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)Nc2ccc(F)cc2)o1 71008650 LEZWRGDEXYSXGN-UHFFFAOYSA-N 387.432 4.094 0 3 GIAF C=CC(=O)Nc1ccc2ncnc(Cc3ccc(F)c(Br)c3)c2c1 42888490 UGJRKPCGNBRYNZ-UHFFFAOYSA-N 386.224 4.247 0 1 GIAF CNCc1cc(O)ccc1C[C@H]1CCC[C@H]([C@]23CC[C@H]([C@@H](N)C2)C(C)(C)O3)C1 85543249 CKLMHNRBOGLRQK-SBBLIOESSA-N 386.580 4.136 0 1 GIAF biogenic,in-vitro c1ccc(CCn2c(-c3ccsc3)nc3c(NCC4CC4)ncnc32)nc1 82180947 GQLCQFUFOJQBNK-UHFFFAOYSA-N 376.489 4.014 0 1 GIAF CCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1F 82150781 LJIGEKUPXMULKI-HOTGVXAUSA-N 384.499 4.295 0 1 GIAF CCn1c([C@@H](C)NS(=O)(=O)c2ccccc2)nc2ccc(C(F)(F)F)cc21 143895913 WTCZLNOVVTULFB-GFCCVEGCSA-N 397.422 4.115 0 1 GIAF COc1ccc([C@H]2O[C@H](CCc3ccccc3)Cc3[nH]c(=S)[nH]c(=O)c32)cc1 95567223 SCDSIMDTQVLGOA-YLJYHZDGSA-N 394.496 4.105 0 3 GIAF CC(=O)[C@H]1CCC[C@@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)C1 96175011 BSXBVTLAKPXLCB-ZWKOTPCHSA-N 386.455 4.471 0 1 GIAF CCc1cscc1C[C@H](NC1=NC(C)(C)Cc2cc(Cl)ccc21)C(=O)O 96908800 HZAJIGYQQWAXJJ-KRWDZBQOSA-N 390.936 4.331 0 1 GIAF COc1cc(Oc2ccccc2)ccc1-c1nc(-c2cc[nH]n2)n2ccnc(N)c12 96168254 YUPFZTFPRHYAKM-UHFFFAOYSA-N 398.426 4.170 0 1 GIAF COc1ccc(-c2cc(C(=O)NC3Cc4ccccc4C3)c(C)o2)cc1OC 621429318 FQUPTXAAGFFXIV-UHFFFAOYSA-N 377.440 4.169 0 1 GIAF CCOC(=O)[C@H](C)Oc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1 653858793 YRXILZMIFBCAPO-AWEZNQCLSA-N 390.867 4.035 0 1 GIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4c(C)nccc4[nH]3)c2)cc1 586931389 SFOVNFQNBDTQDD-UHFFFAOYSA-N 392.484 4.067 0 1 GIAF O=Cc1cccc([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587601162 FJHRYUHCUOJMGP-XUZZJYLKSA-N 386.403 4.472 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)nc1 587557418 RNOFIKAUIOXLDX-LPHOPBHVSA-N 385.322 4.092 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1nc(C)cc(C)n1)CC2=O 587472093 XZTKTLOSGZTRIV-HXUWFJFHSA-N 377.444 4.249 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccccc1OC 587870391 GSKAZBWOJCKVQU-CQSZACIVSA-N 384.407 4.204 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ncon3)cc2)N1 587796109 PFNRPRJMCYWMIM-DYZYQPBXSA-N 388.240 4.262 0 1 GIAF FC(F)(F)c1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cn1 587003585 MQGPMUJTWIITNU-UHFFFAOYSA-N 382.143 4.283 0 1 GIAF CC(C)(C)OC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353416 ZDAUZTOVSKBZBE-DENIHFKCSA-N 386.419 4.381 0 1 GIAF COc1cc2c3c(c1)O[C@](CC(=O)Nc1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587433700 UTINTZFZLPDSPT-NBGIEHNGSA-N 399.446 4.367 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccc(O)c23)N1 587807607 XNLCTQSSSVPCEQ-YYSFKGJASA-N 375.241 4.399 0 1 GIAF O=S(=O)(c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1)C(F)(F)F 587161667 PDMBDYPNPWEVTB-CHWSQXEVSA-N 384.354 4.267 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(F)ccc(Br)c1OC)[C@@H](C2)C3=O 587424641 QPDVSFCWABZURP-BTDLBPIBSA-N 393.208 4.094 0 1 GIAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587170522 BWDCVAAIQYZFEQ-OAHLLOKOSA-N 384.524 4.350 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3ccc(F)cc23)N1 587729935 IIPZBDLTKNDEIO-WNWIJWBNSA-N 378.220 4.227 0 1 GIAF O=C(O)Cc1ccc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 587960365 AXQYRRONDUSAJW-UHFFFAOYSA-N 384.741 4.333 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21C(c2ccccc2)=C(N)c2ccccc21 963609591 NQLZZPUVDDKSNJ-AKJBCIBTSA-N 398.506 4.322 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1 1772593128 LUHGRGNVZFIYPH-SCLBCKFNSA-N 376.859 4.334 0 1 GIAF Cc1cc(N=S(C)(C)=O)cc2ncnc(Nc3cccnc3OC(C)C)c12 1772608394 PQIFWQAFCNQPMB-UHFFFAOYSA-N 385.493 4.223 0 1 GIAF CCc1c(C)[nH]c(=O)c(NC(=O)C(C)(C)C)c1[C@](C)(O)c1cc(C)cc(C)c1 5886634 JBTJTBYBSVJKAA-HSZRJFAPSA-N 384.520 4.103 0 1 GIAF CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncccc3c2)c1F 169312823 XBCZFEMUKWMDTC-UHFFFAOYSA-N 377.416 4.408 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@]4(C)[C@H]3CC[C@@]21C 169369802 ARCONGNMKCTCRP-FJORLLMFSA-N 388.596 4.382 0 1 GIAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1Cl 169723922 JJQSUDBPPRICHU-DOTOQJQBSA-N 377.868 4.303 0 1 GIAF COc1ccc(CN2C(=O)[C@@H](n3c(C)ccc3C)c3cc(OC)ccc32)cc1 206028793 VWPMCUQCVPFYFB-QFIPXVFZSA-N 376.456 4.258 0 3 GIAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3c(C)n[nH]c3C)c12 225372628 DBYMHTBRBURFFG-UHFFFAOYSA-N 388.431 4.398 0 1 GIAF O=C(CNC1CC1)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl 4573816 UDOXZIRZMSVFOZ-SFHVURJKSA-N 381.328 4.281 0 1 GIAF Cc1cc(CCCCCCCOc2c(C)cc(-c3nnn(C)n3)cc2C)on1 3590241 MUFWKJJJLWHDFI-UHFFFAOYSA-N 383.496 4.362 0 1 GIAF CCOC(=O)c1cccc(NC(=O)c2cc3c(=O)oc4ccccc4c3s2)c1 4563776 MDVCKNVDCHMBBX-UHFFFAOYSA-N 393.420 4.437 0 1 GIAF Cc1ccc(CN2c3ccccc3C(OCc3ccccc3)=NS2(=O)=O)cc1 6522505 UTVHOTWDKFJGKM-UHFFFAOYSA-N 392.480 4.223 0 1 GIAF O=C(CCCC(=O)c1ccccc1)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28378370 GRIUBGJVTMJYGH-OAQYLSRUSA-N 398.934 4.474 0 1 GIAF CCSc1ccc(OCc2nnc3sc(-c4ccccc4N)nn23)cc1 28709011 FZJGSPZCBVYNRB-UHFFFAOYSA-N 383.502 4.126 0 1 GIAF Cc1ccc(-c2ncc(C(=O)N[C@@H](CO)C(C)C)nc2-c2ccc(C)cc2)cc1 28900304 SZQXUAARXDAMOZ-NRFANRHFSA-N 389.499 4.174 0 1 GIAF CC1(C)C=Cc2cc([C@@H](O)c3cn(C45CC6CC(CC(C6)C4)C5)nn3)ccc2O1 72180678 LXDJTMDXSFJCIX-QQWWJFKRSA-N 391.515 4.469 0 1 GIAF O[C@@H](c1ccc2ccccc2c1)c1nnc(Nc2ccc3c(c2)OCO3)s1 82078554 CSSIWXFSLWTPLQ-SFHVURJKSA-N 377.425 4.245 0 1 GIAF Cc1ccccc1-c1nc(C(=O)NCc2cccc(OC(F)(F)F)c2)co1 82088135 IZELIEVMLIHCLP-UHFFFAOYSA-N 376.334 4.479 0 1 GIAF CCCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc(F)cc1 82136213 ASXCHASFDIFBNH-UHFFFAOYSA-N 382.439 4.326 0 1 GIAF COc1ccc([C@@H]2COc3c(C=O)c(O)cc(OC)c3C2)c(O)c1CC=C(C)C 85956017 KZQAGRHRFKIERV-AWEZNQCLSA-N 398.455 4.155 0 1 GIAF endogenous,in-man CCCS(=O)(=O)c1ccc2[nH]c(N3CCC[C@H](c4ccccc4)C3)nc2c1 95577282 JLDBDEDSLXNINW-KRWDZBQOSA-N 383.517 4.131 0 1 GIAF CN1C(=O)COC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC[C@H]4[C@@H]3CC[C@H]12 169226679 LKPHZBRWXYCUCB-HLJFLRLJSA-N 380.532 4.175 0 1 GIAF COc1ccnc2c3c(ccc12)-c1cc(C(F)(F)F)ccc1S(=O)(=O)N3 201609594 CTFVOWLCOQMCNT-UHFFFAOYSA-N 380.347 4.043 0 1 GIAF O[C@@H](COc1cccc(-c2cccc(F)c2F)c1)CN1CCc2ccccc2C1 219723796 BRFCGIVIHDNITB-HXUWFJFHSA-N 395.449 4.430 0 1 GIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1)c1ccc(F)cc1 261158718 QJNXESIFJQDQKJ-LLVKDONJSA-N 394.385 4.181 0 1 GIAF CCc1c(C(=O)NCCc2ccc(NC(C)=O)cc2)[nH]c2ccc(Cl)cc12 299861238 HYEYYISNOFZJHL-UHFFFAOYSA-N 383.879 4.315 0 1 GIAF O=Cc1ccc(OCc2occc2-c2nc3cc(Br)cnc3[nH]2)cc1 586901736 ZHAITVNWHYNLQS-UHFFFAOYSA-N 398.216 4.372 0 1 GIAF CC1(C)OC(=O)C[C@H]1c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586905821 DDGYPKHXTJGZDZ-ZETCQYMHSA-N 377.160 4.153 0 1 GIAF Clc1nccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586998423 JOAGZMKWQYBFHW-OWOJBTEDSA-N 378.613 4.273 0 1 GIAF Cc1nn(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)c(C)c1Cl 587064944 JGLJKYFRKDRSFN-UHFFFAOYSA-N 380.835 4.457 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cncc(C)c4[nH]3)cc2F)c1 587144396 VDONAQVOOYFVIX-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587167255 JNAFHEVMQLOTNM-LBPRGKRZSA-N 377.782 4.259 0 1 GIAF Brc1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2n1 587232617 WJKSGEFLKCGVSU-UHFFFAOYSA-N 383.249 4.270 0 1 GIAF O=C(O)[C@@H]1C[C@H]2C[C@]3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587347367 AKAUYNOCYFRQDW-LEUUDNDJSA-N 396.414 4.150 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3nccc(NC(=O)C(C)(C)C)c3o1)O2 587388519 COGGZISPSKMCHR-SFHVURJKSA-N 393.443 4.410 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CCCCN1C(=O)OCc1ccccc1)O2 587396618 USJFVMDGQOLVLI-TZIWHRDSSA-N 394.471 4.102 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3ccccc3)Cc3[nH]c(=N)sc31)O2 587415740 WKPPSIYNFOHLBC-FPTDNZKUSA-N 391.496 4.037 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc4cc(Cl)ccn14)[C@@H](C2)C3=O 587422219 SMGQWUWQGUSQQQ-APPDUMDISA-N 375.211 4.138 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(C(F)(F)F)cc21 587464525 RZRCEPBLPGRORP-IBGZPJMESA-N 391.345 4.176 0 1 GIAF CC(=O)OC[C@]1(c2ccc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587497958 HQFUFJBNKIVSNG-NRFANRHFSA-N 385.847 4.038 0 1 GIAF COc1ccc(OC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587591156 FZGIHCCGWOLYAW-SIKLNZKXSA-N 378.380 4.112 0 1 GIAF CC/C=C/CCOC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594788 JBCLHIPVOBWFIV-WREJSRDGSA-N 382.412 4.012 0 1 GIAF CCOC(=O)C[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587595206 JXWBQJQLLRNASG-NQKDMWHGSA-N 396.439 4.236 0 1 GIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587601232 ROKRXAGHJYYHAQ-OFNKIYASSA-N 392.407 4.286 0 1 GIAF COC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587721476 VYHIXHWRVFENCG-VVVCHXIZSA-N 396.231 4.138 0 1 GIAF CCN[C@H](C)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587753164 GLTGOABTNOHWPU-JZKQVHKSSA-N 391.328 4.364 0 1 GIAF Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C(C)C 587763093 HXMKBRNMXKNMPT-BBATYDOGSA-N 380.305 4.472 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC(=O)Nc3ccccc32)N1 587796723 UVXWPRPKXSDYIX-WLRWDXFRSA-N 389.268 4.098 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@@]2(C(=O)O)C3(C)C)N1 587826673 LDHXACJSJXZDFV-ZUZKAXPWSA-N 396.300 4.229 0 1 GIAF CC1(C)OCc2c(Nc3n[nH]c4c(Cl)cc(F)cc34)nc(-c3cn[nH]c3)nc21 653710219 RULQLIYSPUITNW-UHFFFAOYSA-N 399.817 4.044 0 1 GIAF CCCCCC(=O)C[C@@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962708368 YXZUUMJYOGQOJJ-SJLPKXTDSA-N 389.389 4.198 0 1 GIAF CC(C)c1nn(C)c2c1[C@@H](c1c[nH]nc1-c1ccc(Cl)cc1Cl)NCC2 962915191 GRMHRDFGXKBHGD-LJQANCHMSA-N 390.318 4.476 0 1 GIAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@@H]2CC2(F)F)N1C(=O)c1ccccc1 963450662 VHXIMPUKHMLBHP-IEZWGBDMSA-N 396.393 4.016 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(Cc3ncccc3C)CC1)C2 1205799850 GMORXUFYAMIBNR-LJQANCHMSA-N 394.515 4.065 0 1 GIAF COc1ccc([C@H]2C[C@](O)(c3ccccc3)Oc3cc(OC)cc(OC)c32)cc1 13661775 JBJMFUTWUSFFQF-HYBUGGRVSA-N 392.451 4.472 0 3 GIAF COc1cc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccoc2)cc(OC)c1 775895 IHDRQPKEFMRIQV-UHFFFAOYSA-N 398.459 4.222 0 1 GIAF CCCc1cc2c(=O)n(C)oc2c(CCC)c1O[C@H](C(=O)O)c1ccccc1 12358598 LODDUXNJHHRABT-IBGZPJMESA-N 383.444 4.241 0 1 GIAF CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)n(CCF)c1=O 13536136 JHBOFEJICZNWJV-UHFFFAOYSA-N 389.515 4.440 0 1 GIAF COc1ccccc1N1CCN(CCc2c(C)n3c4c(cccc24)CCC3)CC1 13740402 QNGSDOBBKIJDAT-UHFFFAOYSA-N 389.543 4.269 0 1 GIAF COc1cc2c(cc1OC)C(Nc1cccc(Br)c1)=NC(C)(C)N2 26393427 DDMINJUJIRDRON-UHFFFAOYSA-N 390.281 4.487 0 1 GIAF CCC(CC)(NC(C)=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 28003182 VUMHFWVFOMRPOU-UHFFFAOYSA-N 379.548 4.160 0 1 GIAF O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1c(F)cccc1C2)c1ccc(Cl)s1 28353019 YTBSSZLYKCFJCT-XWCIJXRUSA-N 385.913 4.013 0 1 GIAF O=C(c1cc2ccccc2[nH]1)N1CCc2c(cnn2-c2ccccc2Cl)C1 28708541 CIUZKHSQQCSROO-UHFFFAOYSA-N 376.847 4.206 0 1 GIAF C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccccc4Br)cc3c21 28901984 LZFAKIYGNFRNII-JTQLQIEISA-N 398.260 4.030 0 1 GIAF CCCCSc1nc(N)c2ncn(Cc3c(F)ccc(Cl)c3F)c2n1 40405309 GPIICZDUEGQUIK-UHFFFAOYSA-N 383.855 4.281 0 1 GIAF CC(C)(CC(=O)NC1C2CC3CC(C2)CC1C3)Cc1nc(-c2ccccn2)no1 43014494 GAONNMVXNFBDLU-UHFFFAOYSA-N 394.519 4.031 0 1 GIAF CCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(CN3CCOCC3)n12 72179367 ZCPAKTVXUBGVRD-UHFFFAOYSA-N 393.512 4.447 0 1 GIAF CN1CCC(c2ccc([C@@H]3COC(=O)N3c3ccc4[nH]cnc4c3)cc2)CC1 116195343 DLNWRIQKKNYQQG-NRFANRHFSA-N 376.460 4.070 0 1 GIAF c1ccc2nc(N3CCN(Cc4coc5ccccc45)CC3)c(NC3CC3)nc2c1 144396328 WJRGQHVBSACXRD-UHFFFAOYSA-N 399.498 4.273 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Br)c(F)cc2[nH]1 587041363 FNJSCAGNBNJXJM-GFCCVEGCSA-N 386.290 4.085 0 1 GIAF Cc1onc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)c1COc1ccccc1Cl 587062782 AIOLLCKXYUZZCG-SFHVURJKSA-N 397.822 4.482 0 1 GIAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2c(O)ncnc2[nH]1 587121784 LAPDUMSFWJJTET-UHFFFAOYSA-N 393.350 4.056 0 1 GIAF Cc1cc2[nH]c(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)nc2c(C)n1 587169851 CCZLJGAZZLJFDO-UHFFFAOYSA-N 396.447 4.182 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2C[C@H]3C[C@@H]1C[C@@](C(=O)OC)(C3)C2 587477145 FMNJTRDPTOVNHP-OMOWFTQDSA-N 384.472 4.048 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(C=C(C)N(Cc3ccccc3)C(=O)C1)CC2=O 587482056 YXHIIWJNPKKAIY-XMMPIXPASA-N 391.467 4.385 0 1 GIAF Cc1cc(C)c2c(c1)[C@@]1(C=C(C(=O)O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587531650 KMXKXNWFNDUEDY-DEOSSOPVSA-N 390.435 4.404 0 1 GIAF Cc1ccnc2c1c([C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C 587583438 WHQRYCUPGNJFER-SIKLNZKXSA-N 386.407 4.290 0 1 GIAF C[C@@H]1Cc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1C 587584404 XOVZDTMKXQJVQQ-QIAKTKIMSA-N 387.435 4.476 0 1 GIAF C[C@]1(c2ccc(C(=O)O)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613257 NMBRPTXUQDBJIL-OXJNMPFZSA-N 382.393 4.029 0 1 GIAF COc1ccc2c(c1F)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587738145 KIQJSELCWWGFII-OVWNDWIMSA-N 394.259 4.460 0 1 GIAF COCCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587791340 HMWPKTXZHQVLSO-CWTRNNRKSA-N 394.284 4.237 0 1 GIAF CCOC(=O)[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587797718 NBMCIBYXCZDXAN-YNKQFZHNSA-N 384.289 4.071 0 1 GIAF COc1ccc2c(c1)[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587808634 OARYKOPVUMACNN-WYRIXSBYSA-N 376.269 4.321 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C(=O)O)c2)N1 587829417 WOGCGNCXWMFBHB-YPMLDQLKSA-N 378.241 4.084 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3oc(CO)cc3c2)N1 587833856 PKSBZQLYFCZFFY-DGIBIBHMSA-N 390.252 4.450 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@H]1CCCC[C@H]1C 587869812 SJBUIVHKGAIFEC-YPMHNXCESA-N 398.454 4.274 0 1 GIAF C[C@]1(Cc2nc(-c3cccnc3)no2)NCCc2cc(-c3ccccc3)ccc21 962671739 SMGKBDAGSAVQOD-XMMPIXPASA-N 382.467 4.402 0 1 GIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc3cc[nH]c3c2)N1 962690467 ANFISYSCNIQMSA-DLBZAZTESA-N 378.325 4.014 0 1 GIAF CN1CCc2c(Br)cccc2[C@@]1(C)c1ncccc1Br 963280784 OVPNGKISAONUDZ-INIZCTEOSA-N 396.126 4.358 0 1 GIAF CCOC(=O)c1csc(-c2csc(-c3csc([C@H](O)C(C)C)n3)n2)n1 1772634186 UWQGYYGGDCCZOL-GFCCVEGCSA-N 395.531 4.256 0 1 GIAF CN(C)C(=O)c1ccc(N(CC2CCCCC2)C(=O)c2ccc(O)cc2O)cc1 1857615122 ZBCASIFBVICMSH-UHFFFAOYSA-N 396.487 4.027 0 1 GIAF CC1=CN=C2NC1=Nc1cccc(c1)NC1=NC=C(C)C(=Nc3cccc(c3)N2)N1 1857630604 XLHKHSGVTRNXSG-UHFFFAOYSA-N 396.458 4.010 0 1 GIAF O=C(O)c1ccc(Nc2cc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3cn2)nc1 1857753895 CTILQSZZIGHCAD-UHFFFAOYSA-N 399.332 4.481 0 1 GIAF Clc1ccc(OCC(COc2ccc(Cl)cc2)N2CCOCC2)cc1 2178320211 PMDPBGJFISLRLU-UHFFFAOYSA-N 382.287 4.152 0 1 GIAF CC1=C[C@H](CN(C)CCc2ccccn2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356836174 KXVHCRYCYMBHEN-TUNNFDKTSA-N 382.552 4.345 0 1 GIAF CC(=O)Nc1cccc(-c2csc([C@](C)(NC(C)=O)c3ccccc3)n2)c1 61898109 LYHRFDVLASZPAM-OAQYLSRUSA-N 379.485 4.168 0 3 GIAF Cc1ccc(-c2cc3nc(NCCc4ccncc4)n(C)c(=O)c3s2)cc1 61930553 BLXOPHCAACOAAQ-UHFFFAOYSA-N 376.485 4.020 0 3 GIAF COc1cc2ncnc(Nc3cccc(Br)c3)c2c(OC)c1OC 3815066 MMRJGOKRGZAQNE-UHFFFAOYSA-N 390.237 4.162 0 1 GIAF O[C@@H]1c2ccc(F)cc2C[C@H]1N1CCC(c2cc(F)cc3c2OCCC3)CC1 13471805 IIGYZZJHNCEURP-FGZHOGPDSA-N 385.454 4.128 0 1 GIAF NC1=N[C@H](c2cccc(Oc3ccccc3)c2)N(c2ccc(Cl)cc2)C(N)=N1 13559313 YDXKQVGSUIURRL-IBGZPJMESA-N 391.862 4.281 0 1 GIAF N[C@H](COc1cncc(-c2ccc3[nH]ncc3c2)c1)Cc1c[nH]c2ccccc12 16052297 GQEPXNDANQTLHI-IBGZPJMESA-N 383.455 4.055 0 1 GIAF N[C@@H]1Cc2c3n(c4ccc(O)cc24)C(=O)C[C@@]2(Cc4ccccc4)CCC[C@@H]1[C@@H]32 27896366 RQKAPJVLVSKZKF-BYTLBFQTSA-N 386.495 4.387 0 1 GIAF CN(Cc1ccc(-c2ccccc2)cc1)C(=O)N1CCC[C@H]1CN1CCCC1 36188140 ZZAFCMHMSNHJNO-QHCPKHFHSA-N 377.532 4.466 0 1 GIAF CCCCCc1ccc(-c2ccc(CCC(N)(CO)CO)c(Cl)c2)cc1 49070638 JNWOOPSZDGAJSG-UHFFFAOYSA-N 375.940 4.354 0 1 GIAF c1cc2[nH]c(Nc3ccc(CCNc4ncnc5ccsc45)cc3)nc2cn1 49113981 IOYLPOUSBKYTPC-UHFFFAOYSA-N 387.472 4.361 0 1 GIAF O=C(c1c(Oc2ccccc2)n(-c2ccccc2)c2ccccc12)N1CCNCC1 58655517 PAQQZWUEZAUGRI-UHFFFAOYSA-N 397.478 4.468 0 1 GIAF in-vitro COc1cc(/C(=C/c2ccc(Br)cc2)[C@@H](C)O)cc(OC)c1OC 71319266 KLMIZVPZPYRCLJ-GFQQVXNGSA-N 393.277 4.396 0 1 GIAF COc1cc(CN(C)Cc2coc(-c3ccc(F)cc3)n2)cc(OC)c1OC 72185536 RQFFJIJIJCISCH-UHFFFAOYSA-N 386.423 4.139 0 1 GIAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(F)F)nn12 96933205 MFILFHJGVHTMEW-UHFFFAOYSA-N 387.173 4.235 0 1 GIAF Cc1ccc(C)c(N2CCN(C(=O)c3oc(C)nc3-c3ccc(F)cc3)CC2)c1 103291394 KHUUTRLZAQAMOA-UHFFFAOYSA-N 393.462 4.368 0 1 GIAF CCN(Cc1ccccn1)c1cccc(C(=O)N2CCc3ccc(O)cc3C2)c1 103300984 DUHYCDIKCNSWGW-UHFFFAOYSA-N 387.483 4.012 0 1 GIAF CCCCC[C@@H](O)CCCCCS(=O)(=O)CCCCCCCC(=O)O 169315830 PQWTXJZNEZRECT-GOSISDBHSA-N 378.575 4.328 0 1 GIAF CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccc(F)cc1)CCCC3 169686275 YLHDGURHLCTIDP-ROUUACIJSA-N 381.451 4.099 0 1 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4C[C@H]4c4ccccc4)ncc23)ccn1 219759947 IGMIYNSEGDFVDL-FUHWJXTLSA-N 384.443 4.006 0 1 GIAF CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc(C#N)cc2)n1 299877828 HYIVKXFPYHUQAY-ZACQAIPSSA-N 391.519 4.344 0 1 GIAF O=C(O)c1cccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587116057 LUSCGFKFKPWUFN-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(CO)cc4[nH]3)c(F)c2)c1 587146931 BWTYWEKDOLUGSN-UHFFFAOYSA-N 392.386 4.235 0 1 GIAF Cc1c(Br)ccc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c12 587164015 XCFMFLJLBPWTCZ-UHFFFAOYSA-N 376.229 4.344 0 1 GIAF Cc1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1Cl 587276902 UKSBMMRRIZNEQB-UHFFFAOYSA-N 380.625 4.275 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CC[C@H]1C(=O)OCC 587483172 VQKYBZLDELDSFZ-YADARESESA-N 394.467 4.331 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O[C@H](C)C(=O)O)cc1)CC2=O 587486656 SHNZPLKBLOLIAP-MCMMXHMISA-N 384.428 4.077 0 1 GIAF CN1CCN(c2ccc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587515617 WAMNGCABWWWRLQ-VWLOTQADSA-N 390.527 4.198 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)[nH]1 587548140 SGAPLVZMRALAOP-QAPCUYQASA-N 386.201 4.186 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ncc(F)cc12 587571266 PZOQFXBFYZVEGA-PXNSSMCTSA-N 376.343 4.111 0 1 GIAF C[S@](=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587605058 AUDKVEXAHWNADV-VVDSWQSDSA-N 394.448 4.007 0 1 GIAF COc1ccc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(OC)c1C 587786032 AYTSYSZNPXRAJZ-UHFFFAOYSA-N 382.645 4.366 0 1 GIAF CCOC(=O)C1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CCCC1 587798046 NPDYMXYRJDZCFE-SGTLLEGYSA-N 398.316 4.461 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)O)cs2)N1 587846145 GTHDQLPSHDAKIE-BCTVWOGZSA-N 384.270 4.146 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc2c(c1)CCO2 587862450 OHJLEDUCLQWFAA-UHFFFAOYSA-N 388.345 4.201 0 1 GIAF COc1c(Cc2ccccc2)cc(O)n1[C@H](COc1cc(F)cc(F)c1)N=O 587946576 WLSGGMDRYTXDRY-GOSISDBHSA-N 388.370 4.415 0 1 GIAF C[C@H](CCC(=O)O)Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587963288 SABPPLIUVDHQHY-SSDOTTSWSA-N 395.175 4.267 0 1 GIAF CC(C)[C@@]1(c2nccn2C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644885 XTOGHLARIMQRBT-RDGATRHJSA-N 386.543 4.067 0 1 GIAF Cc1nccn1-c1ccccc1CNC(=O)[C@H]1[C@@H](c2ccc(F)cc2)C1(C)C 1857642435 ZEMGFPMQOJSMIA-NHCUHLMSSA-N 377.463 4.376 0 1 GIAF COC(=O)C1=C(C)N(Cc2ccco2)C(=O)N[C@@H]1c1cccc(C(F)(F)F)c1 8682063 QUWSLLRXTVEPAC-MRXNPFEDSA-N 394.349 4.012 0 3 GIAF COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3OC(C)C)[nH]n2)c(OC)c1 61926660 YEJMWIVCBMXESC-UHFFFAOYSA-N 399.422 4.273 0 3 GIAF CC(C)C[C@H]1NC(=O)c2ccc(Cl)cc2-n2c1nc1ccc(F)cc1c2=O 61949365 CWASGDGGYUKKEL-MRXNPFEDSA-N 385.826 4.009 0 3 GIAF O=C1C(c2ccccc2)=NCCN1[C@H](c1ccc(F)cc1)c1nc2ccccc2[nH]1 95600618 CYMPDGLSVOAGHF-JOCHJYFZSA-N 398.441 4.123 0 3 GIAF COC(OC)C1=C[C@H](O)[C@]2(C)CC[C@@]3(C)CCC(C(C)C)=C3[C@H]2C[C@H]1OC 2356324214 HKKOLWQOYBQKEY-GWWNCLRWSA-N 378.553 4.480 0 1 GIAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccccc1OC 4153245 AXAKMPSWSCCBBB-IFMALSPDSA-N 396.487 4.102 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCCN1CCCC1 4211889 SCKXAUKYHWIWGI-VXKWHMMOSA-N 385.552 4.303 0 1 GIAF CC(=O)N(Cc1ccccc1)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 101402983 XQDSNDVAQICDHA-RZFNWQHOSA-N 386.486 4.442 0 1 GIAF C[C@H]1CCCN(c2ccccc2[C@H](C)NC(=O)Cc2ccc(C(=O)O)cc2)C1 58519202 CVCBNPONPMIIDX-IRXDYDNUSA-N 380.488 4.041 0 1 GIAF COc1cc(SC)ccc1[C@@H]1CC(c2c(O)cc(C)oc2=O)=NCCS1 28899055 JWCHAQAEIWBLDS-KRWDZBQOSA-N 391.514 4.052 0 1 GIAF O=C(c1c(Cc2ccccc2)n(-c2ccccc2)c2ccccc12)N1CCNCC1 58660699 FYDPGAJRQXSCCK-UHFFFAOYSA-N 395.506 4.267 0 1 GIAF in-vitro COCCCNc1ccn2nc(-c3cccc(OCc4ccccc4)c3)cc2n1 61904340 DQQODKJYBKCNSO-UHFFFAOYSA-N 388.471 4.424 0 3 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@H](OC(=O)C=C(C)C)CC[C@H](C)[C@@]12C 2356673019 FKWPXFLCFKOLLW-RSFLRJQQSA-N 388.460 4.319 0 1 GIAF COc1ccc(-c2n[nH]c3cc(NC(=O)NCc4ccc(F)cc4)ncc23)cc1 219766338 ZQBKTKPILJRJNR-UHFFFAOYSA-N 391.406 4.094 0 1 GIAF O[C@@]1(c2ccc(-c3ccc(Br)s3)cc2)CN2CCCC[C@@H]2CO1 40393071 NQOYZHHHGSRJGT-QAPCUYQASA-N 394.334 4.207 0 1 GIAF in-vitro CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-n3cccc3)cc2)n1 142070879 QKEFSEHNRHABOP-QFBILLFUSA-N 391.475 4.422 0 1 GIAF COc1cccc(-c2cccc(N(C)S(=O)(=O)c3cccc(OC)c3)c2)c1 96935498 PLBSKHREONAECB-UHFFFAOYSA-N 383.469 4.196 0 1 GIAF O=c1[nH]c(CCCN2CCC(c3ccc(Cl)cc3)CC2)nc2ccccc12 96258417 BZWKNGNQRBBNAW-UHFFFAOYSA-N 381.907 4.389 0 1 GIAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(OC)cc2)s1 253637521 VWOMMCGIMIJHDR-XYECEOMOSA-N 395.524 4.463 0 1 GIAF CCOc1ccc(NC(=O)C(Br)(C(F)(F)F)C(F)(F)F)cc1 68574023 FVSHXUMXNIVTQF-UHFFFAOYSA-N 394.109 4.282 0 1 GIAF biogenic O=C1c2ccccc2Nc2ccccc2N1Cc1cn(Cc2cccc(F)c2)nn1 653787414 KTNZWURAXJUMHW-UHFFFAOYSA-N 399.429 4.370 0 1 GIAF Fc1ccc(N2CCN(CCCN3CCC(Cc4ccccc4)CC3)CC2)cc1 653737491 MDQIHUHARYBGBT-UHFFFAOYSA-N 395.566 4.293 0 1 GIAF CCOC(=O)C[C@]1([C@@H](C)CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594779 IZHDXOAGAAEMEY-OSGPJOMKSA-N 384.428 4.092 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1ccc(F)c(C)c1)[C@@H](C2)C3=O 587422050 BWZJKNYPVOQRER-FDDCHVKYSA-N 375.399 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccn3)nc2)N1 587776023 VQAXXVJFMOTZEU-VOJFVSQTSA-N 399.267 4.064 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC=C[C@H]2C[C@@H](C(=O)O)C1 587825841 INLVNPIKFVRUIF-VCQDLIILSA-N 394.284 4.005 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccccc4)Oc4ccccc41)[C@@H](C2)C3=O 587452074 CZRHHDARVDBGLE-UODBTFMRSA-N 398.414 4.041 0 1 GIAF CC[C@]1([C@H](C(=O)OC)C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812363 YRLHNVLNCQSBGM-PBQZTSCYSA-N 386.305 4.173 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccc(O)cc23)N1 587804499 RDTPJHGRTFVDMK-NIVTXAMTSA-N 375.241 4.399 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(C)cc1 587207045 QEZMBGHWPMNBFA-HNNXBMFYSA-N 390.256 4.193 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cc(C)c(Br)s1)[C@@H](C2)C3=O 587454444 ZCNKVQXNEMUIDA-GTNSWQLSSA-N 379.275 4.490 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccc(O)c3[nH]2)c1 587051385 WRCBITNWZPHJEN-KTKRTIGZSA-N 398.850 4.312 0 1 GIAF Clc1ccc2ccn(Cc3nc4ccc(CN5CCOCC5)cc4[nH]3)c2c1 587080378 PJOXXLMUEWIUQV-UHFFFAOYSA-N 380.879 4.052 0 1 GIAF CC(C)C[C@]1([C@@H]2CCCNC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587791531 GDXBJTUTUCCFON-ZXYWRSMDSA-N 383.349 4.363 0 1 GIAF COc1ccc2c(c1)C[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601059 QGLPERNCSZMQRY-URXFXBBRSA-N 388.419 4.290 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587823723 VUBWUZOVDXWTPY-WPAKUKMDSA-N 382.317 4.135 0 1 GIAF CCc1oc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)OC 587617461 PSZULJHKIFZURE-GHTZIAJQSA-N 394.379 4.037 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCN(C3CCCC3)C2)N1 587771702 WTVFTZWDWSPFBI-DJJJIMSYSA-N 381.333 4.356 0 1 GIAF CN(C)S(=O)(=O)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587053973 JUJINGBSMSGXEG-RMKNXTFCSA-N 396.299 4.290 0 1 GIAF CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1Br 586979571 PXECTRGIKGVZPS-UHFFFAOYSA-N 393.138 4.272 0 1 GIAF COCC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587798530 YNMJHNDTWXPWFP-YJYMSZOUSA-N 378.285 4.403 0 1 GIAF Cc1ccc2nc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[nH]c2c1 587588809 LSVNYODCIPUMRY-CVDCTZTESA-N 386.407 4.454 0 1 GIAF COc1ccc(CNC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511421 KPBDEPOKZPHWBD-DEOSSOPVSA-N 393.483 4.004 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cnccc3[nH]2)c1 587049963 KTJACEXSLDHQJI-SREVYHEPSA-N 383.839 4.002 0 1 GIAF C=CN1CCCC[C@@H]([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587393358 GYNHRQMHDWKYQL-DVECYGJZSA-N 390.483 4.210 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 586917243 RRLHWDKAWHXKJR-ADLMAVQZSA-N 376.243 4.481 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1sc(-c4ccncc4)nc1C)[C@@H](C2)C3=O 587450200 HYSUMHVLAXQBQL-BTYIYWSLSA-N 378.453 4.185 0 1 GIAF O=C1OC[C@H](Cc2ccc3c(c2)OCCO3)[C@H]1Cc1ccc(Cl)c(Cl)c1 1772618432 DKGFBKDEDSZPQE-LSDHHAIUSA-N 393.266 4.339 0 1 GIAF COc1cccc(C[C@]2(CO)CCCN(Cc3ccc(OC(F)F)cc3)C2)c1 11873676 KYNVKPJXTWHFDI-JOCHJYFZSA-N 391.458 4.114 0 3 GIAF COc1ccc2cc(C(=O)N3CCC[C@@H](Nc4ccc(F)cc4)C3)n(C)c2c1 12307927 XIFJJPFWEITWKE-GOSISDBHSA-N 381.451 4.043 0 3 GIAF COC(=O)C[C@@H]1c2ccccc2C(Cc2ccc(OC)cc2)=C(C)N1C(=O)OC 13817746 QEWDNKAOTYDGHN-OAQYLSRUSA-N 395.455 4.355 0 1 GIAF Cc1ccc(N2CCN(CCCOc3ccc4c(=O)ccoc4c3)CC2)cc1C 13860933 NBXJBWFTSFIRBS-UHFFFAOYSA-N 392.499 4.001 0 1 GIAF COc1cc(O)c(Cc2ccccc2O)c2c1C(=O)C[C@H](c1ccccc1)O2 5998816 KKEXONXLVLHEJJ-HXUWFJFHSA-N 376.408 4.404 0 1 GIAF biogenic Cc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2Sc2ncccc21 6796988 IWTYMRQHNVRWTD-UHFFFAOYSA-N 389.480 4.449 0 1 GIAF CC[C@H](C)NC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 6806404 QXXXMXUCLHLJOG-LBPRGKRZSA-N 386.496 4.115 0 1 GIAF c1ccc2c(c1)N=C(N1CCN(C[C@@H]3CCCO3)CC1)c1ccccc1S2 12356208 BWMIMNUXQCHAAF-KRWDZBQOSA-N 379.529 4.026 0 1 GIAF Clc1cccc(Nc2nccc(-c3ccnc(NCCc4c[nH]cn4)c3)n2)c1 14947954 IPWNDJWJXCLYIL-UHFFFAOYSA-N 391.866 4.313 0 1 GIAF COc1ccc(C2=NN(CCc3ccccc3)C(=O)[C@@H]3CCCC[C@@H]23)cc1OC 26571131 FDJPZBHXIZZOLP-WOJBJXKFSA-N 392.499 4.299 0 1 GIAF CC(C)NC(=N)c1ccc(/C=C/c2cn3cc(C(=N)NC(C)C)ccc3n2)cc1 27433655 GPPSZDQWTVFZEL-YRNVUSSQSA-N 388.519 4.151 0 1 GIAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC(=O)[C@H]12 27632647 NTLOERPHSXBROY-TUVXCAOVSA-N 384.516 4.306 0 1 GIAF CN(C)[C@H]1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)nc3)cc2)C1 28118956 RMUJYXNEWDVEQS-QFIPXVFZSA-N 386.499 4.141 0 1 GIAF CC[C@@H]1NC(=O)[C@@](CCN(C(C)C)C(C)C)(c2ccccc2)[C@H]2CCCCN12 34079783 WDKQQRCLEKNRIX-AKFKNWHVSA-N 385.596 4.154 0 1 GIAF O[C@]1(c2ccc(-c3ccc(Br)s3)cc2)CN2CCCC[C@@H]2CO1 40393072 NQOYZHHHGSRJGT-CRAIPNDOSA-N 394.334 4.207 0 1 GIAF in-vitro CCCc1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc3c(cc1-2)OCO3 40864972 YRDIGQKWUDDJIH-UHFFFAOYSA-N 378.448 4.049 0 1 GIAF CS(=O)(=O)Nc1ccc([C@@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1 45388095 YBGNBXBXNCHMCA-FQEVSTJZSA-N 390.468 4.116 0 1 GIAF O=c1[nH]cc(-c2ccc(N3CCOCC3)cc2)c2sc(-c3ccncc3)cc12 72176799 LSQFFRJLLOWWOG-UHFFFAOYSA-N 389.480 4.155 0 1 GIAF CCCc1nc2c(NCc3cccc(F)c3)ncnc2n1CC[C@H]1CCCN1C 82221851 LXMHRMSDKROMDZ-GOSISDBHSA-N 396.514 4.014 0 1 GIAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc4ccccc4c3)CC2)c1 95569962 RUGBZCTWKBEUNI-UHFFFAOYSA-N 376.529 4.371 0 1 GIAF COc1cc(C(c2ccc(O)c(OC)c2)[C@H](C)[C@H](C)COC(C)=O)ccc1O 96085945 QERLLOLWIRILQQ-ZIAGYGMSSA-N 388.460 4.082 0 1 GIAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1cc2c(Cl)cccc2[nH]1 117585719 IZHYNMBMUYRRDZ-UHFFFAOYSA-N 398.894 4.332 0 1 GIAF Cc1nocc1C(=O)Nc1cnc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1 118849505 UBQLVMPNILRISI-UHFFFAOYSA-N 398.637 4.235 0 1 GIAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-n2cccc2)cc1)C3 195280008 JMLZRLQBGATUMI-MEQGOPCHSA-N 376.500 4.154 0 1 GIAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(NC5CCCC5)n4)c3c2)s1 204761060 QLNCUIUWMSXVLH-UHFFFAOYSA-N 377.477 4.080 0 1 GIAF c1cc(-c2nc(NC[C@H]3CCCCN3)c3c4c(sc3n2)CCCC4)ccn1 223689043 PRIBLCJUJDLDLC-OAHLLOKOSA-N 379.533 4.186 0 1 GIAF C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)c3ccccc3N(C)C)cc2)C1 299845714 SMGGVEANRVALLD-NQIIRXRSSA-N 392.547 4.068 0 1 GIAF Cc1ncc(-c2nc3c(C)c(Br)cnc3[nH]2)c(C)c1Br 586979122 QTGHRIPMCVAZRX-UHFFFAOYSA-N 396.086 4.470 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Br)cc1 586984259 DJNCAAKUJZCPSV-AWEZNQCLSA-N 394.219 4.024 0 1 GIAF Brc1cc(/C=C\c2nc3cc4cn[nH]c4cc3[nH]2)cc2c1OCCO2 587000625 IWOVNJXKSOPCIE-UPHRSURJSA-N 397.232 4.143 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc(-c4cnc([C@H](C)O)s4)[nH]c3c2)cc1 587021459 IMKBOYKBADNKBX-NSHDSACASA-N 395.440 4.319 0 1 GIAF COC(=O)Cc1c(-c2ccccc2N)nc2cccc3c2c1-c1ccccc1C3=O 587104734 VKUICCKARWZOEX-UHFFFAOYSA-N 394.430 4.411 0 1 GIAF COC(=O)c1cncc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587395928 WHWDYEQRWOBRPQ-NRFANRHFSA-N 388.423 4.132 0 1 GIAF CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440621 HGBCFJFCJWDIHX-XLNZFTOWSA-N 394.467 4.236 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](COc1ccc(C(=O)O)cc1)(C1CC1)CC2=O 587479587 ISIWMAZENSYCLD-QHCPKHFHSA-N 396.439 4.236 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-n1ccnc1 587578046 PVKQYSVZUVUICY-REWPJTCUSA-N 384.391 4.281 0 1 GIAF COc1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599840 HYXYBQKIVIBNKI-FPOVZHCZSA-N 376.408 4.364 0 1 GIAF Cc1nn(-c2c(C)[nH]c3cc(Cl)c(F)cc23)cc1I 587631064 WHZJWDDWXSEOAQ-UHFFFAOYSA-N 389.599 4.368 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)c(F)c2)N1 587726780 ZUMSTFQRIXEVCF-ZKANADHPSA-N 382.204 4.049 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CN(C(=O)OC(C)(C)C)C2)N1 587762980 WAKRYOIBHYPZNQ-HWPZZCPQSA-N 399.304 4.030 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N2CCCCCC2)N1 587765547 JWJPTMXMPADMPQ-YJYMSZOUSA-N 397.332 4.130 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cccs2)N1 587844865 CHABXGHBEMSQAF-QGHHPUGFSA-N 398.297 4.292 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-n3ccnc3)cs2)N1 587847203 JPUYAAKWRBSXDA-BTDLBPIBSA-N 392.297 4.459 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(F)cc1F 587871337 UAFROWMAXVHKDG-UHFFFAOYSA-N 376.334 4.085 0 1 GIAF Cc1cc(C)n(Cc2cccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2)n1 587874769 BKGGNFKUCGHZPU-UHFFFAOYSA-N 388.402 4.345 0 1 GIAF CCN1C(=O)c2cccc3c(S(=O)(=O)NCCC4CCCCC4)ccc1c23 653738871 CLSDSLDRQKGTBG-UHFFFAOYSA-N 386.517 4.069 0 1 GIAF COC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCSC2 1857539712 RPXGKDDVLVKDHP-UHFFFAOYSA-N 391.558 4.479 0 1 GIAF C[C@H](c1ccc(C(=O)NC[C@H]2COC3(CCCCC3)O2)cc1)N1CCCCC1 1911573296 NEWWQZFJOURPLY-NQIIRXRSSA-N 386.536 4.039 0 1 GIAF Cn1c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc2sccc21 4034697 LWSCACKGCDGOSH-UHFFFAOYSA-N 393.434 4.221 0 3 GIAF CCCOc1ccc(F)cc1-c1cc(C(=O)Nc2ccc(OC)cc2OC)[nH]n1 61929752 AQIZYRDAWUJYSG-UHFFFAOYSA-N 399.422 4.274 0 3 GIAF COc1ccc(Cc2[nH]n3c(=O)c4c(nc3c2-c2ccccc2)CCCC4)cc1 103746514 VGYGUEBEANOUAI-UHFFFAOYSA-N 385.467 4.168 0 3 GIAF COc1ccc(-c2ccc3c(c2)COCC(=O)N3Cc2cccc(OC)c2)cc1 205212106 DAIQSXQNSVSDRU-UHFFFAOYSA-N 389.451 4.434 0 3 GIAF O=C(NCCO)c1c(-c2ccccc2Cl)noc1-c1ccc(Cl)cc1F 2482181 SVBATJLAIDHSSS-UHFFFAOYSA-N 395.217 4.177 0 1 GIAF COc1ccc(Nc2cc(C(=O)N3CCCC3)c3ccccc3n2)c(OC)c1 4910143 GNTRHYUPJQTTHG-UHFFFAOYSA-N 377.444 4.232 0 1 GIAF CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2F)[C@H]1c1cccs1 6725203 YDOHZYMWQQYTSI-RTBURBONSA-N 380.444 4.436 0 1 GIAF CN(CC(=O)c1ccccc1)C1CN(C2c3ccccc3CCc3ccccc32)C1 33858151 GCWYWNBQMVGEKW-UHFFFAOYSA-N 396.534 4.374 0 1 GIAF Cc1ccc2c(=O)c(C(=O)NC3CCC(C)CC3)cn(Cc3ccccc3)c2n1 35050282 BYFIWABDFPHUNK-UHFFFAOYSA-N 389.499 4.062 0 1 GIAF O=C(c1cccs1)N1CCc2ccc(OCCCN3CCCCC3)cc2C1 36188053 KTFHOCCRXYONKA-UHFFFAOYSA-N 384.545 4.201 0 1 GIAF COC(C)(C)[C@H](O)CC/C(C)=C/COc1c2ccoc2cc2oc(=O)ccc12 38209316 DXUCGAHPDLXISA-CECLQJIQSA-N 386.444 4.430 0 1 GIAF Cc1cccc(C(=O)Nc2ccnc(N(C)C3CCN(CC(C)C)CC3)c2)c1 45210306 VKIMNIFOQJKBSQ-UHFFFAOYSA-N 380.536 4.199 0 1 GIAF O=C(O)C1CCN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1 64454014 YSGLQQUCJIOYSX-DHLKQENFSA-N 375.512 4.420 0 1 GIAF COc1ccc(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@H]4C)C3)cc2)cc1 96929226 GAHOQBHYBQXWSW-DYESRHJHSA-N 379.504 4.011 0 1 GIAF CCOc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(OC(C)C)c1OCC 116230153 LMDRHWMJJZPPFH-UHFFFAOYSA-N 387.432 4.222 0 1 GIAF CC[C@H](C)C(=O)Oc1ccc([C@@H](O)CNC(C)(C)C)cc1OC(=O)[C@H](C)CC 149640291 HQLFPHIXYWCPLH-UXLLHSPISA-N 393.524 4.011 0 1 GIAF Cc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(N)n2)cc1C(=O)NCC(C)C 203540095 JCPLJMMYNOZMBU-UHFFFAOYSA-N 383.883 4.069 0 1 GIAF COc1nc(NCCc2ccc(F)cc2)nc(-c2cc3cc(Cl)ccc3[nH]2)n1 206739731 DCYSTLSPGFZECB-UHFFFAOYSA-N 397.841 4.476 0 1 GIAF CCOc1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1 219656949 GGCSQMNZKHRBJW-UHFFFAOYSA-N 391.349 4.358 0 1 GIAF in-vitro Cc1cc(Cc2nc3cc(Br)cnc3[nH]2)ccc1Br 586977041 MKZBWBHYDYEKHD-UHFFFAOYSA-N 381.071 4.382 0 1 GIAF O=C(COc1ccccc1-c1nc2ccnc(Cl)c2[nH]1)Nc1ccccc1F 587155273 WFENPPHZBMBDSM-UHFFFAOYSA-N 396.809 4.435 0 1 GIAF CC(C)CCOc1cc2nc(-c3c[nH]ccc3=N)[nH]c2cc1Br 587250179 XHNPVYLCDYPJSB-UHFFFAOYSA-N 375.270 4.225 0 1 GIAF CN(C)/C=C/[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340238 UQQXPQDCEIPCPQ-ICDXIMRRSA-N 393.414 4.454 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCN[C@@H]3CCCC[C@H]32)[C@H]1c1ccc(F)cc1 587351803 VHWCRMACPJDHTJ-URLVKDPJSA-N 381.447 4.181 0 1 GIAF Cc1nc(O)sc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587378519 VZDZEQRIDZOOHB-OXJNMPFZSA-N 385.416 4.276 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc3ccccc3c1)O2 587409492 VTPUFACPYMTSFE-HSZRJFAPSA-N 375.424 4.456 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4)nc4ccccn14)[C@@H](C2)C3=O 587437242 YQWPXPIJBRRYIW-BXKMTCNYSA-N 382.419 4.499 0 1 GIAF O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccncc21 587515749 QOTIUHLMRYTDIZ-VWLOTQADSA-N 381.431 4.414 0 1 GIAF CC(C)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587587943 OTAXFQPQOHDMOJ-SIKLNZKXSA-N 377.396 4.277 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3nc(Cl)ccc32)N1 587701078 AEADFXLCACZHSL-XYZCENFISA-N 396.691 4.230 0 1 GIAF COc1c(F)cc(F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587722954 UTYFZDSEVXZQHS-VPTHRUTESA-N 386.211 4.499 0 1 GIAF CCCOc1ncccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587772023 MXJOJVKXGGJFQY-APPDUMDISA-N 379.273 4.396 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3cccnc3c2)N1 587779168 QMQNCBQMJCSWAK-WYRIXSBYSA-N 386.268 4.329 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2COC3(CCCCC3)O2)N1 587839325 FMOLLZOVOCUDGX-SSKCKEOISA-N 384.289 4.239 0 1 GIAF O=C(O)Cc1ccc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 587960860 GCSKJOFCYCERPA-UHFFFAOYSA-N 379.641 4.197 0 1 GIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)c(Br)cc2[nH]1 587961396 FRNVXDCRXBJHEC-JGVFFNPUSA-N 386.087 4.246 0 1 GIAF O=c1nc(N2CCOCC2)oc2ccc(-c3cccc(-c4ccccc4)c3)cc12 653714184 LZNFBJVRZXQWNO-UHFFFAOYSA-N 384.435 4.359 0 1 GIAF COc1cc2c(cc1OC)[C@]1(CCN(Cc3ccccc3)C[C@@H]1C)N(C)[C@@H](C)C2 962563450 GHFYYWZDNGNBIY-XHNVNVPESA-N 394.559 4.318 0 1 GIAF Cc1sc2c(c1C)CCN[C@@H]2c1cc(I)ccc1F 963008846 KDVRYGLZJABCJA-CQSZACIVSA-N 387.261 4.344 0 1 GIAF CC1CCN(C2=CC(=CC=C3C=c4ccccc4=N3)N(C)c3ccccc32)CC1 1857597354 AHXJPPUTOLOGDG-UHFFFAOYSA-N 381.523 4.091 0 1 GIAF COc1ccc(/C=C/c2nc3ccc(Cl)cc3c(=NCCCN(C)C)[nH]2)cc1 1857599460 FRLDFEDEWRMXBS-KPKJPENVSA-N 396.922 4.248 0 1 GIAF COC(=O)[C@H](C)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 6202036 BJOYJQPKUFGPMS-KNLNXMFASA-N 381.472 4.489 0 3 GIAF CC[C@@H](CO)Oc1cc(NC(=O)c2ccccc2C)c2ncn(C(C)C)c2c1 61949046 DNGQPSSFRAPCFY-INIZCTEOSA-N 381.476 4.328 0 3 GIAF COc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2ccccc2C)cc1 199725329 GLOFVDBHQZNUPZ-UHFFFAOYSA-N 394.496 4.207 0 3 GIAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OC 4055532 KDEJMBAHXGLKPW-AZUAARDMSA-N 386.879 4.357 0 1 GIAF Cc1csc2nc(Cc3cccc(NC(=O)c4ccccc4)c3)oc(=O)c12 6523548 YBWPVGAHGPRQFY-UHFFFAOYSA-N 376.437 4.401 0 1 GIAF C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\C/C=C/C(=O)O 100801995 BUFWZRKDBSESPF-BSZYPBBZSA-N 382.500 4.478 0 1 GIAF Cc1cc(Br)ccc1C(=O)N(C)[C@H]1CCCC[C@@]12CCCN2C 28253541 FDLBGWVLLWZVNF-PKOBYXMFSA-N 379.342 4.237 0 1 GIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@@H](OC(C)=O)c3c(C)coc3C(=O)[C@@H]12 2356559976 QJHPTOGFYPFVNS-XYCKKUNOSA-N 388.460 4.319 0 1 GIAF COC(=O)[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801348 PMMRBDRYCOJUPT-CINBTIASSA-N 375.553 4.275 0 1 GIAF CCOc1ccccc1CNCc1coc(-c2cc(OC)c(OC)c(OC)c2)n1 72185317 UAGBFKWAQZMWIK-UHFFFAOYSA-N 398.459 4.056 0 1 GIAF COC(=O)C[C@@H](c1ccccn1)[C@H](C(=O)N(C(C)C)C(C)C)c1ccccc1 34986501 BSUSJWAHOYFFOL-SIKLNZKXSA-N 382.504 4.158 0 1 GIAF CC(C)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CC[C@@H]1CCCN1C 82185945 KFCDIHCVPWARLE-SFHVURJKSA-N 396.514 4.185 0 1 GIAF Cc1ccc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CCCN1CCOCC1 45320797 ISAHSOBBNOUBGF-PFATUAPWSA-N 398.591 4.204 0 1 GIAF C[C@@H](c1ccc(Br)cc1)N1CCC2(CCC(CO)CC2)OC1=O 146335593 VCHYATQYXUEHOP-VNSJNIRKSA-N 382.298 4.274 0 1 GIAF CC(C)c1ccc(OC[C@H]2[C@H]3CN(Cc4nc5ccccc5n4C)C[C@@H]23)cc1 253666711 NLLIYFVKRLKJBW-WKCHPHFGSA-N 375.516 4.454 0 1 GIAF CCOc1cc(O)c2c(=O)c(OCC)c(-c3ccc(OCC)c(O)c3)oc2c1 299830264 MFOCMKAVSUIZJW-UHFFFAOYSA-N 386.400 4.067 0 1 GIAF CCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3[C@H]1C2 653724780 RZLZELGICQMPFL-LJQANCHMSA-N 383.488 4.244 0 1 GIAF COc1ccc(-c2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n[nH]2)cc1 587875927 OYEFUWOBPMRVHS-UHFFFAOYSA-N 376.347 3.882 0 1 GIAF Cc1ccc2c(ccc3nc([C@@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c32)n1 587148264 HDEIMLQHDCLIDH-CQSZACIVSA-N 392.409 4.214 0 1 GIAF COc1ccc2c(c1)CC[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601331 RZOLGVISOUEWLL-ZJSXRUAMSA-N 388.419 4.290 0 1 GIAF O=C1COc2cc(-c3cc4c5c(cccc5n3)CC4)c(Br)cc2N1 587207656 IJLALMJXUKFTSG-UHFFFAOYSA-N 381.229 4.094 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccco3)n(C)n2)N1 587763542 JXPGKPCIMAVIGN-YPMLDQLKSA-N 390.256 4.205 0 1 GIAF CC(=O)Nc1ccccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587744309 ROUHUTIUNJEZNM-WLRWDXFRSA-N 391.284 4.344 0 1 GIAF COc1cccc(-c2cc(F)cc(-c3nc4c(S)nc(S)nc4[nH]3)c2)c1 587160138 ISTNHSXCEDYMEQ-UHFFFAOYSA-N 384.461 4.412 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3n[nH]c(Cl)c3c2)N1 587705315 MRXKQNHJKLSMPZ-UOWDBTKRSA-N 395.663 4.137 0 1 GIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CNC(=O)C[C@@H]32)c1 587362351 FNXSVXYNIIHKNI-RHSMWYFYSA-N 384.435 4.432 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccnn3C(C)C)c1C)O2 587392927 XRAFGUYVUUYYNV-FQEVSTJZSA-N 378.476 4.469 0 1 GIAF CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587767469 AXSDIBNQGIDUJY-VOJFVSQTSA-N 379.273 4.180 0 1 GIAF CC(C)Oc1ncccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586162 HWEKOXIETOXFKB-XXBNENTESA-N 391.423 4.451 0 1 GIAF CCOC(=O)[C@]1(c2ccc(C)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587506789 PIJJQLPCOGLZIA-HSZRJFAPSA-N 382.431 4.437 0 1 GIAF CCOC(=O)c1nn(C(C)(C)C)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516809 WSTOPHZBXWVIBR-LJQANCHMSA-N 396.487 4.400 0 1 GIAF Clc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c(Cl)n1 587085533 YIBIVQVUWWYFLP-UHFFFAOYSA-N 383.670 4.092 0 1 GIAF Clc1ccc(I)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 587182832 PDOMRCVYDSTNHB-UHFFFAOYSA-N 394.603 4.364 0 1 GIAF Oc1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587091744 NVSZWQGKNPXNRQ-UHFFFAOYSA-N 377.244 4.290 0 1 GIAF CCn1cc(-c2cc3ccccn3c2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587434763 AZLLEEVTIRJAJG-DVECYGJZSA-N 399.450 4.320 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587191792 ZPPMWKPIDLGOAH-QGZVFWFLSA-N 393.447 4.101 0 1 GIAF O=C(O)c1cc(F)cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587017187 HRKRTAVVMNVSGG-UHFFFAOYSA-N 381.388 4.126 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(F)cc1F)CC2=O 587466325 KYQNRUUXFFGBQN-NRFANRHFSA-N 389.398 4.376 0 1 GIAF C[C@]1(c2ccc(N)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331557 DOJSUNWPAJEEIY-RBBKRZOGSA-N 379.387 4.093 0 1 GIAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(I)cc2[nH]1 587059358 QJHGLZPHWPLMND-LBPRGKRZSA-N 397.647 4.063 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587449183 IFROZEYDEHXYFB-YADARESESA-N 386.403 4.085 0 1 GIAF Cc1ccc([C@]2(c3ncc[nH]3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587587012 DWKOVISNIWHNNM-RDPSFJRHSA-N 398.418 4.329 0 1 GIAF COc1ccc([C@H]2C[C@@H]2[C@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962770906 UDDHIVIOEYJAPE-BOFXEDATSA-N 389.417 4.360 0 1 GIAF CC(C)(Oc1ccc(CC(=O)Nc2c(Cl)cccc2Cl)cc1)C(=O)O 13649349 IITWFMBBGXKRCH-UHFFFAOYSA-N 382.243 4.417 0 1 GIAF CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)N2CCCCC2)C1 13677497 VXDYZTDYUKVXNJ-MJGOQNOKSA-N 380.985 4.121 0 1 GIAF C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(CCCCc2ccccc2)CC1 13742664 STUATRUKRPVHDN-WMZHIEFXSA-N 383.532 4.054 0 1 GIAF COc1ccc(CN2CCc3ccc(NC(=O)c4ccncc4)cc3C2)c(F)c1 15079865 LQXNTTGVTSFLAE-UHFFFAOYSA-N 391.446 4.040 0 3 GIAF CC(=O)O[C@@H]1[C@H](C(C)C)CC/C(C)=C/C[C@H](OC(=O)C=C(C)C)[C@@]2(C)O[C@H]12 15160710 OUBHKYCABIAIDI-HDIOXQHLSA-N 378.509 4.356 0 1 GIAF CC(=O)[C@H](C/C=C\CCCC(=O)O)CCC[C@@H](O)COc1ccc(F)cc1 169316986 OJECGQVOPDFZFI-GNXINIQLSA-N 380.456 4.142 0 1 GIAF C[C@@H]1c2cc3c(cc2C(=O)N1CCC1CCN(Cc2ccccc2)CC1)OCO3 206545112 LLKPHLHJWLBDOL-QGZVFWFLSA-N 392.499 4.234 0 1 GIAF CCC[C@H]1[C@@H](NC(=O)c2ccc(C)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205712151 UGXLMSJFRCVUPT-MDAIXWLXSA-N 382.548 4.465 0 3 GIAF Cn1cc(-n2ccc3c(Oc4cc(CN)cc(C(F)(F)F)n4)cccc32)cn1 1857551979 GXFIJNNOECYQOJ-UHFFFAOYSA-N 387.365 4.029 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2Oc2ccc(C(=N)N)cc2)cc1 1857593807 TYMDDLOQIKAPJO-UHFFFAOYSA-N 395.484 4.181 0 1 GIAF CCN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 2468101 NDYFTKDVOSJLKA-UHFFFAOYSA-N 391.496 4.441 0 1 GIAF CC(=O)O[C@@H]1[C@H]2c3c(ccc4c(=O)cc(-c5ccccc5)oc34)O[C@H]2OC1(C)C 5166463 XTIQPKJOGKMOSY-FCEUIQTBSA-N 392.407 4.003 0 1 GIAF biogenic,in-vitro CC[C@H](C)N(C[C@@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC 27657209 YNGZJSALRCLELM-ACZWYYKOSA-N 380.960 4.091 0 1 GIAF COc1ccc(CCN2CCC([C@H](O)c3nc4ccccc4s3)CC2)cc1 27863165 VCQUTTNYIIUZKX-NRFANRHFSA-N 382.529 4.293 0 1 GIAF COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1cc(C)nc1C)C(F)(F)F 34802054 DUKSLEMXBDETTE-SFHVURJKSA-N 388.405 4.309 0 1 GIAF O=S1(=O)CCCC2=C1[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 40943429 PLUWSYKLCMOCEQ-SFHVURJKSA-N 389.860 4.046 0 1 GIAF Cc1cc(C(F)(F)F)cc(Oc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)n1 45388841 JQTYXMYDJSVFPF-ZDUSSCGKSA-N 382.363 4.095 0 1 GIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)P(=O)(O)O)cc1 49032867 AMJAPVGWRMDUBI-UHFFFAOYSA-N 395.220 4.185 0 1 GIAF O=C(CN1CCN(c2ccc(F)cc2)CC1)N(c1ccccc1)c1ccccc1 73160212 MEYDAZJMWPWXDD-UHFFFAOYSA-N 389.474 4.313 0 1 GIAF CC(=O)NCc1nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2s1 84757627 HITAUNLFJVIXEG-UHFFFAOYSA-N 381.501 4.482 0 1 GIAF Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 95876974 VXYWKBKVONATQO-GSDHBNRESA-N 390.571 4.297 0 1 GIAF Cc1onc(-c2cccc(Cl)c2)c1COc1ccc(C(=O)NCC2CC2)cn1 141270040 FPRNAZWYKWQQEU-UHFFFAOYSA-N 397.862 4.417 0 1 GIAF COC(=O)OC[C@H]1[C@H]2CC[C@@H](C)[C@]1(C)CCC(C)=CCC[C@@]1(C)O[C@@H]1[C@@H]2O 253639254 VJVONQVYXQDNIM-OAWXYTOASA-N 380.525 4.477 0 1 GIAF COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1 473145170 LRVZXGMQJYEUPB-UHFFFAOYSA-N 377.387 4.015 0 1 GIAF CCCS(=O)(=O)N1CCC(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CC1 586951929 BVEGXOSJGMKRLN-UHFFFAOYSA-N 399.516 4.274 0 1 GIAF CCc1cc(O)nc(SCc2nc3cc(Cl)cc(Br)c3[nH]2)n1 586968069 LGECEJXOVCOOFG-UHFFFAOYSA-N 399.701 4.329 0 1 GIAF Cc1nc(C2CC2)sc1-c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587013130 XNJXDXKYQGFSEL-UHFFFAOYSA-N 378.251 4.333 0 1 GIAF CN(C)CCOc1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587074881 FFROCQVKYVEGLD-NRFANRHFSA-N 398.938 4.494 0 1 GIAF FC(F)(F)Oc1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587084650 GEYJRVKZIBJVRD-UHFFFAOYSA-N 397.788 4.289 0 1 GIAF O=C1C[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F 587151230 XONMNUAFUMJFNF-VIFPVBQESA-N 397.212 4.059 0 1 GIAF C[C@]1(c2nc3cccc(OC(F)(F)F)c3[nH]2)C=C(c2ccccc2F)NO1 587155158 IGTPFSSSPFRPMV-QGZVFWFLSA-N 379.313 4.392 0 1 GIAF Cc1cc(C)n(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587343834 VOCGFMYDVANNOB-RBBKRZOGSA-N 380.419 4.162 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(NC(=O)c3cc(C)on3)c1)O2 587390017 NKHYOBSKQUVBCU-QFIPXVFZSA-N 391.427 4.007 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)ccc(F)c1C(=O)O)CC2=O 587465392 IAYFUNXEASROTK-HXUWFJFHSA-N 376.355 4.202 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)([C@H](C)C(=O)OC)CC2=O 587483037 UESWHCDMYVPBBL-FATZIPQQSA-N 398.455 4.023 0 1 GIAF COc1cc(F)c(F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587716055 ITIAWGJBIOVKDX-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF COc1cccc(C(=O)c2ccc(-c3nc4nc(C(F)(F)F)ncc4[nH]3)cc2)c1 587931448 IWYDGLFUFIDSPL-UHFFFAOYSA-N 398.344 4.278 0 1 GIAF C[C@@H]1N(c2ccc(OCC(=O)O)cc2)C(=O)c2ccccc2N1c1ccccc1 653785948 VNIOKEDWBOQFQO-INIZCTEOSA-N 388.423 4.295 0 1 GIAF CC(=O)Oc1ccccc1[C@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962694908 FLGRGNBVDIFEQV-AOMKIAJQSA-N 385.504 4.378 0 1 GIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@@H]12)[C@H]1O[C@H]3C[C@H]1C(=O)O 2356798137 OXLSIZDDPLIXST-OGGQQBIVSA-N 388.504 4.262 0 1 GIAF Cc1ccc2cc3cc(C(=O)NCCCN4CCc5ccccc5C4)oc3nc2c1 4056450 VXIOPLRYOWCAAK-UHFFFAOYSA-N 399.494 4.468 0 3 GIAF Cc1ccc([C@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 61923856 XRHLWNKYCHYPJE-FSSWDIPSSA-N 394.544 4.075 0 3 GIAF O=C1Cc2cc3onc(CCC4CCN(Cc5ccccc5)CC4)c3cc2N1 580312 GDDBSWQWOFNCSG-UHFFFAOYSA-N 375.472 4.167 0 1 GIAF C[C@H](c1ccccc1)N1C(=O)C2(CCCC2)c2c1nc(-c1ccccc1)[nH]c2=O 26503622 RCBKEDINQSCQRZ-MRXNPFEDSA-N 385.467 4.357 0 1 GIAF CCOC(=O)[C@H]1CC[C@@H](N(C(=O)c2cc(Cl)c(N)c(Cl)c2)C2CC2)CC1 101099784 WKSREMNMLHZFGS-AULYBMBSSA-N 399.318 4.302 0 1 GIAF Cc1nc(-c2ccco2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNCC2CCCCC2)n1 2356301196 XOWIMIJGEPYLRI-PCCBWWKXSA-N 394.563 4.393 0 1 GIAF O=C(c1ccc(Cl)cc1Cl)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1 26009057 BWPJNXXXXDXZIJ-KRWDZBQOSA-N 396.661 4.009 0 1 GIAF Brc1ccc([C@]2(Cn3ccnc3)OC[C@H](c3ccccc3)O2)cc1 28768278 ITAPOIQZNBPLNJ-RTBURBONSA-N 385.261 4.287 0 1 GIAF CCS(=O)(=O)N(CCC(F)(F)F)c1sc2ccccc2c1[C@H](C)O 115231351 GJQNXPFEDLXTOO-JTQLQIEISA-N 381.441 4.063 0 1 GIAF CCCCCC[C@H](C)C=C(C)C=CC(=O)O[C@@H]1C=CC(=O)O[C@H]1C=CC(=O)O 2356456164 SZTWZPUAGRSHIP-YTQUADARSA-N 390.476 4.130 0 1 GIAF COCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3ccccc3)ncnc21 82178281 YXAYWUWFTZHBJT-UHFFFAOYSA-N 393.878 4.405 0 1 GIAF Nc1ncc(-c2ccc(-c3ccccc3Sc3ncncc3N)cc2F)cn1 224741356 OGUZFJMUFLDABW-UHFFFAOYSA-N 390.447 4.055 0 1 GIAF CC(C)=Cc1c(C)cccc1C(=O)NC1(C(=O)O)Cc2cc(F)c(F)cc2C1 146810689 ZBYASHDLGZULQD-UHFFFAOYSA-N 385.410 4.048 0 1 GIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccccc3C(C)=O)cc2)C[C@H]2CC[C@H]1N2C 253633278 IKFLALJPMIMFEC-RLLPEYFOSA-N 377.484 4.296 0 1 GIAF COC(=O)[C@@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-n2cccc2)cc1)C3 261120759 JMLZRLQBGATUMI-WQAPZADNSA-N 376.500 4.154 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)c(F)n1)CC2=O 587469589 AWAOAPIFEMKBRW-OAHLLOKOSA-N 380.213 4.348 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)cc2F)N1 587724660 KXSNJOHOYORLFE-BCTVWOGZSA-N 382.204 4.049 0 1 GIAF C[C@@]1(c2cc(Cl)ncn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334844 ZJEWQGPLYFLLNO-QUCCMNQESA-N 384.794 4.249 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ncon3)c2)N1 587799249 XKSQODGYTLRENK-QGHHPUGFSA-N 388.240 4.262 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Br)=COc2cc(F)ccc21 587385049 QXRZMLPVWDCDBY-GOSISDBHSA-N 390.208 4.206 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H](NC(=O)OCc3ccccc3)C1)O2 587388318 AEJSUXYVMKHLBV-UZUQRXQVSA-N 394.471 4.150 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCNC(=O)OC(C)(C)C)N1 587755823 PIVIWHATAUOMDR-MEBBXXQBSA-N 387.293 4.078 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)nc3ccccc3c1C(=O)O)O2 587395883 VQBPLXJYJLINKT-JOCHJYFZSA-N 376.412 4.013 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2nccs2)N1 587854563 QWUWQMDCAAZUEX-QLJPJBMISA-N 392.297 4.459 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(NC(=O)OC(C)(C)C)C2)N1 587743324 OIWSOGHMUBQQAC-VJIIGADZSA-N 399.304 4.005 0 1 GIAF O=C(c1cc(Cl)ccc1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657476 VBGSAUZBUVWFIG-UHFFFAOYSA-N 394.789 4.250 0 1 GIAF CCn1cc([C@@]2(CC)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587344194 WIMARBLUFCSPNJ-RBBKRZOGSA-N 380.419 4.412 0 1 GIAF Cc1cc(C)n(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587343836 VOCGFMYDVANNOB-UNMCSNQZSA-N 380.419 4.162 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(OCC(=O)O)cc1)CC2=O 587484689 UFTWAFQGYKRKNX-JOCHJYFZSA-N 384.428 4.079 0 1 GIAF CC(=O)COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587597079 RXRIFICUFJLKAQ-NZQKXSOJSA-N 390.391 4.063 0 1 GIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587194968 DPXSSLVDVKQDNE-NSHDSACASA-N 397.422 4.074 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@@H]2CCCCC23OCCO3)N1 587840490 YCIVHFOODKLKOI-INWMFGNUSA-N 398.316 4.487 0 1 GIAF COC(=O)c1cc2[nH]c(CCCCCCCCCCCO)nc2cc1OC 586894890 XXNHWSCTOIPZHX-UHFFFAOYSA-N 376.497 4.404 0 1 GIAF CCCn1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587757104 MVJXHIHTGMAGLU-ADLMAVQZSA-N 380.305 4.301 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ncccn2)N1 587775514 RJIPNEHTGOLOBD-RBZFPXEDSA-N 398.279 4.204 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1coc3ccc(OC)cc3c1=O)CC2=O 587492474 QSRVRCYFTVCEME-FQEVSTJZSA-N 380.396 4.166 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccc(O)c3n2)N1 587776455 CVPINRZSRCCNQI-OVWNDWIMSA-N 387.252 4.466 0 1 GIAF COc1ccc(OC)c([C@]2(c3cnccc3C)NCCc3ccc(F)c(C)c32)c1 962146176 NLZOGQAAXLOLCV-XMMPIXPASA-N 392.474 4.292 0 1 GIAF O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cn1 5205484 ITYMRBLTPZHKFY-TZWRJOPASA-N 386.838 4.132 0 1 GIAF COc1cc(-c2cc(=O)c3c(O)c4c(cc3o2)OC(C)(C)C=C4)cc(OC)c1O 14448381 LJNMTAALHAPGLP-UHFFFAOYSA-N 396.395 4.073 0 1 GIAF biogenic,in-vitro Cc1cnn(C(=O)N(C)CCN(C)Cc2cccc(Oc3ccccc3)c2)c1 1857573571 MYFIUXUQFSXNEG-UHFFFAOYSA-N 378.476 4.016 0 1 GIAF COc1nc(=O)c2c([nH]1)N[C@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2 5502990 BZKCCJAWOVQKQV-INIZCTEOSA-N 380.835 4.110 0 1 GIAF Cc1[nH]c2ncn3nc(C(Cl)(Cl)Cl)nc3c2c1Cc1ccccc1 6520444 IFRXYRABUJZGIX-UHFFFAOYSA-N 380.666 4.332 0 1 GIAF COC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCS(=O)(=O)CC1 13725398 VRMCKLHHDJVMTA-UHFFFAOYSA-N 396.508 4.469 0 1 GIAF CCN(CC)c1cc(C)nc(N(CC)c2c(Cl)cc(OC)cc2OC)n1 13794481 ADSLIDNGJTWAQF-UHFFFAOYSA-N 378.904 4.460 0 1 GIAF Cc1cccc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12 28703666 LOYHRPQPVDZCBA-QGZVFWFLSA-N 394.862 4.026 0 1 GIAF O=C(N[C@H](Cc1ccccc1C(F)(F)F)C(=O)O)c1ccc2ccccc2c1 49112205 IHYGSSDUCURGMH-GOSISDBHSA-N 387.357 4.284 0 1 GIAF COc1cc2nc(N3CCCC3)nc(NC[C@H](C)c3ccccc3)c2cc1OC 82125750 ROLVINQFLOXKRE-INIZCTEOSA-N 392.503 4.463 0 1 GIAF Cc1ccc(C)c(Cn2c(Sc3cccc(Cl)c3)c(C)c(=O)[nH]c2=O)c1 84710585 OFOHDLYVTOWSFB-UHFFFAOYSA-N 386.904 4.315 0 1 GIAF Cc1nc2sc(C(=O)NCc3ccc(F)c(F)c3)c(N)c2c(C)c1Cl 95598012 UFGMISSLLYMSPG-UHFFFAOYSA-N 381.835 4.357 0 1 GIAF O=C(Nc1cc[nH]c(=O)c1)c1cc(Cl)ccc1Oc1ccc(F)cc1F 143180437 MFOFLSYIDKCECT-UHFFFAOYSA-N 376.746 4.351 0 1 GIAF Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3OCC(F)F)c12 169708385 OKBFQQYIAVMKIC-UHFFFAOYSA-N 383.351 4.225 0 1 GIAF O=C(O)c1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586959203 JMSWAHVVSYCNAK-MUUNZHRXSA-N 390.464 4.299 0 1 GIAF Fc1cnc2[nH]c([C@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 586986038 UWCVNGWQKLEHAW-HNNXBMFYSA-N 375.245 4.045 0 1 GIAF O=C1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)-c2cc(F)ccc2N1 586988209 GLTXYUZIELKXAC-UHFFFAOYSA-N 396.377 4.453 0 1 GIAF FC(F)(F)c1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cn1 587005478 JMWPZBIYJYPGSM-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF Clc1cnc(Br)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)n1 587005563 KRKAUFJNWUPQGS-UHFFFAOYSA-N 379.432 4.138 0 1 GIAF Cc1cnc(Cl)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 587018507 FJNBVVAYIKZXAB-UHFFFAOYSA-N 398.875 4.405 0 1 GIAF Cc1cc(C)c2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc2c1 587019347 KXEKMIAFDSVOPN-UHFFFAOYSA-N 378.457 4.185 0 1 GIAF O=S(=O)(c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1)C(F)(F)F 587043522 QZPAXMQBUCAJKB-CQSZACIVSA-N 384.404 4.246 0 1 GIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc4ncccc4c3[nH]2)cc1 587243745 AWEJOBJVOVXVMH-UHFFFAOYSA-N 383.411 4.251 0 1 GIAF CN(C)/C=C/[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340247 UQQXPQDCEIPCPQ-SSTAAYAGSA-N 393.414 4.454 0 1 GIAF CCOC(=O)[C@H](Cc1ccccc1C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399137 IHTKDQUNZKRDLF-FDDCHVKYSA-N 381.472 4.032 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cn(C)c4ccc(Br)cc14)[C@@H](C2)C3=O 587419101 SIGJCIBJEMBDBN-VBKZILBWSA-N 398.256 4.438 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CC[C@@H]1C(=O)OCC 587483168 VQKYBZLDELDSFZ-DVECYGJZSA-N 394.467 4.331 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O[C@H](C)C(=O)O)cc1)CC2=O 587486654 SHNZPLKBLOLIAP-DMZKTXOQSA-N 384.428 4.077 0 1 GIAF O=C1C[C@@H](c2ccc(N3CCC(O)CC3)cc2)Oc2c1ccc1c2CCCC1 587513778 LEDSEIZMFPBCDZ-QHCPKHFHSA-N 377.484 4.233 0 1 GIAF CC(C)(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587588339 SUXBDYHJNSKCRP-FXAWDEMLSA-N 376.412 4.183 0 1 GIAF CCOC(=O)[C@H]1CC[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587595643 LJVLOPSKOGAQRU-RIELGZFVSA-N 396.439 4.092 0 1 GIAF CC(C)(O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587607464 IPJYTCDQNVMHQU-HYBUGGRVSA-N 390.435 4.497 0 1 GIAF CN(C)/C=C\[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613524 PGYCRTMDHUTEPL-PMEHAHJZSA-N 393.464 4.386 0 1 GIAF O=C(c1ccc(COc2ccccc2)cc1)n1ncc2ccc(Cl)cc2c1=O 587652078 KSJURXVXIUBOOG-UHFFFAOYSA-N 390.826 4.317 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C[C@H](CC(=O)O)C2(C)C)N1 587832588 ZGGCJKPPVMZNMA-BDPOLOCLSA-N 398.316 4.475 0 1 GIAF O=C(O)c1cc(Br)ccc1-n1nc2cc1Oc1ccc(F)cc1-2 587872213 KOUMVGZUHTZPEO-UHFFFAOYSA-N 375.153 4.245 0 1 GIAF COc1ccc(CCCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(OC)c1 587929156 RXINOYQHPINKST-UHFFFAOYSA-N 376.359 4.077 0 1 GIAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 587931080 QSOONWUOIOLNCK-DYZYQPBXSA-N 376.229 4.313 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(c1ccc(Br)nc1)N(C)[C@H](C)C2 962564198 GQILASCWKPCYAJ-BLVKFPJESA-N 391.309 4.001 0 1 GIAF COc1ccc2c(c1OC)[C@]1(CCC(C)=C1C)N(C(=O)c1ccccc1N)CC2 963140912 NNNKUQOLJJCFPZ-XMMPIXPASA-N 392.499 4.310 0 1 GIAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccccc1NC(=O)CCC(=O)O 963224936 FBEWGCHEYNCTPO-BXKMTCNYSA-N 394.515 4.410 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccccc1)[C@H](N)c1ccccc1 963613744 VVKGOOVNJHIPCC-AJHZIAPWSA-N 388.511 4.182 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCC(=O)O)c1cc(C)c(C)cc1C 963632715 GURMLHVEQHTPOL-MZNJEOGPSA-N 397.515 4.272 0 1 GIAF Cc1ccc2nc(NC(=O)c3cccc(F)c3)c(C(=O)NC3CCCCC3)n2c1 1857579625 YNKCLVWYGQNNRG-UHFFFAOYSA-N 394.450 4.097 0 1 GIAF Cc1ccc(NC(=O)c2ccc3c(c2)N(C2CCCC2)[C@H](C)C(=O)N3C)cc1 1857759008 RLYYGKYMTZUOEC-MRXNPFEDSA-N 377.488 4.361 0 1 GIAF COc1c(O)ccc(CCC(=O)C[C@@H]2C[C@@H](C)CCO2)c1-c1ccc(CN)cc1 2356727113 HLCZCZIBZRBAOS-KKSFZXQISA-N 397.515 4.233 0 1 GIAF O[C@@](c1ccccc1)(c1nc(-c2ccc3c(c2)OCO3)cs1)C(F)(F)F 61905609 MOOWXUFMZSHWQQ-KRWDZBQOSA-N 379.359 4.337 0 3 GIAF O=c1cc(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2o1 95605437 XWFCZITZAQOHSH-UHFFFAOYSA-N 389.282 4.422 0 3 GIAF CCN(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)c1cccc(C)c1 2974094 PSUTZBRUSOVOAV-UHFFFAOYSA-N 397.500 4.013 0 1 GIAF COc1cccc(-c2nc3ccc(C(=O)N(C)[C@H](C)c4ccncn4)cc3o2)c1 12718119 HPQWIOMHZOHYTK-CQSZACIVSA-N 388.427 4.127 0 1 GIAF C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 13580997 GLYYCVIECUFAOT-INIZCTEOSA-N 391.748 4.266 0 1 GIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\c2ccccn2)c1 28365843 AUZAKOOAGXPADZ-SEYXRHQNSA-N 387.483 4.108 0 1 GIAF O=c1cc(NCCCNCc2cccc(OC(F)(F)F)c2)[nH]c2ccccc12 45301435 PQFFDDLGZZWBDE-UHFFFAOYSA-N 391.393 4.019 0 1 GIAF O=C(O)CN1CCCC[C@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 49784643 UONPGQMBZPLCLV-INIZCTEOSA-N 375.852 4.450 0 1 GIAF COc1cc2nc(NCCCOC(C)C)nc(NCCC(C)C)c2cc1OC 82130584 MFWRHVJAUAPNAO-UHFFFAOYSA-N 390.528 4.332 0 1 GIAF Cc1nc(-c2cnc(NCc3ccc4c(c3)OCO4)nc2-c2ccco2)oc1C 82165713 OJNWRAUIVUFEQC-UHFFFAOYSA-N 390.399 4.349 0 1 GIAF c1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3CCc2ccccn2)cc1 82178407 BDILWGFVUOQBAJ-UHFFFAOYSA-N 396.454 4.336 0 1 GIAF O=C(NCc1ccccc1)[C@@H]1CCCN1c1nc(-c2ccccc2F)cs1 82192407 TWVPBJZHYUXKNY-IBGZPJMESA-N 381.476 4.234 0 1 GIAF Cc1ccc(CNC(=O)CCCNc2nc(-c3cc(O)cc(O)c3)cs2)cc1 82195718 VJPXWVGVKIPGHY-UHFFFAOYSA-N 397.500 4.038 0 1 GIAF CCCS(=O)(=O)c1ccc2[nH]c([C@@H]3CCO[C@@H](c4ccccc4)C3)nc2c1 95574364 SEGIVIKFYDDEGE-OXQOHEQNSA-N 384.501 4.382 0 1 GIAF COC(=O)[C@@H]1CCC(=O)N1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 142234195 KAASLFKMFPRADM-INIZCTEOSA-N 378.255 4.247 0 1 GIAF CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2Cc1nnn(C)n1 148018774 NENUQQYJEFHEHF-PIUAGCHGSA-N 380.536 4.193 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169309534 GNWBLLYJQXKPIP-QMDPGFMLSA-N 388.596 4.334 0 1 GIAF O=C1c2cc(-c3ccc(OC(F)F)cc3)ccc2OCCN1Cc1ccccn1 206199014 OUULAPRBWVTKBQ-UHFFFAOYSA-N 396.393 4.385 0 1 GIAF O[C@H](CCc1cccc(CNC2CCCC2)c1)CN1CCc2ccccc2C1 219777178 RIRAPLTXMZUEMQ-RUZDIDTESA-N 378.560 4.071 0 1 GIAF C[C@H](CCC(=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@]21C 299845218 DGABKXLVXPYZII-IROGSKTLSA-N 392.580 4.478 0 1 GIAF Cc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1NC(=O)c1cnoc1C 473247227 BWDSIJQMJYKPNZ-UHFFFAOYSA-N 388.427 4.206 0 1 GIAF CCOC(=O)[C@]1(C)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586989705 PWBMHTCFKKHQDS-XMMPIXPASA-N 387.435 4.210 0 1 GIAF Cc1ccnc2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc12 587059917 ZAQURXSSJWUVEE-UHFFFAOYSA-N 385.254 4.450 0 1 GIAF COCCN1C(=O)CC[C@H](c2nc3ccc(C)nc3[nH]2)[C@H]1c1ccccc1Cl 587063239 QJHMPVMPCAMSTD-HNAYVOBHSA-N 398.894 4.013 0 1 GIAF FC(F)(F)c1cccnc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587108721 QCUFTLVESWCXCW-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cncc(OC)c3[nH]2)c1 587147025 FWYFUBFXGBCZAL-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn([C@@H](C)C(=O)O)c3ccccc13)O2 587388857 BMHYGPJDNZGHPE-XMHCIUCPSA-N 378.428 4.058 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)C3CCCC3)cc1)O2 587410641 UJLPEBPWNHYJOP-JOCHJYFZSA-N 399.512 4.174 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(F)cc1F)[C@@H](C2)C3=O 587424753 UEXMOWAAICIPRJ-BTDLBPIBSA-N 381.172 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cnc(OCc4ccccc4)c(C)c1)[C@@H](C2)C3=O 587435418 FLWSRSDPHQICES-WMZHIEFXSA-N 387.435 4.466 0 1 GIAF COC(=O)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516987 YRZHIPIAAZVEGE-QFIPXVFZSA-N 389.451 4.400 0 1 GIAF O=C1C[C@H](c2ccccc2OCC2OCCO2)Oc2c1ccc1c2CCCC1 587536501 UUNGGRNTNCOXJY-OAQYLSRUSA-N 380.440 4.024 0 1 GIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1S 587610213 BIGWWRSCQZRWQD-NQIIRXRSSA-N 380.421 4.392 0 1 GIAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(F)c1F 587718033 MHNYVJIFGAPCJU-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF CC(C)C[C@]1([C@H]2CCCNC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587791513 GDEPUTTWQXXAEY-FRIZHTMISA-N 383.349 4.363 0 1 GIAF CCC[C@]1([C@@H](CC)C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587803402 AHSNIZXRGWONAH-RRUGBERISA-N 386.305 4.317 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C(=O)O)c2)N1 587829415 WOGCGNCXWMFBHB-XTZNXHDOSA-N 378.241 4.084 0 1 GIAF CCCCCNc1nc(N)[nH]c2nc(=O)c(-c3c(Cl)cccc3Cl)cc1-2 653918631 OOSXURBLTNFQEK-UHFFFAOYSA-N 392.290 4.428 0 1 GIAF Cc1cccc2[nH]cc([C@@H]3N[C@@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)c12 962634016 JPKZSJMXWGOLPF-SJLPKXTDSA-N 390.361 4.063 0 1 GIAF CCCCCC(=O)C[C@]1(C)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962708355 YXZUUMJYOGQOJJ-AEFFLSMTSA-N 389.389 4.198 0 1 GIAF C[C@]1(c2cccc(F)c2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962923110 MFDLFWODYQJZKP-JTHBVZDNSA-N 393.414 4.186 0 1 GIAF CN=[S@@](=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccc(C)cc1 1911576521 WJUJGCUWLJTKJU-HHHXNRCGSA-N 383.517 4.166 0 1 GIAF COc1cccc2nc(C[C@H]3CN(CC4CCCCC4)CC[C@@H]3CC(=O)O)[nH]c12 2356500973 JJAHUVDLAFVYOO-MSOLQXFVSA-N 399.535 4.107 0 1 GIAF CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl 773334 VXGMIFHKWZDKBV-WBVHZDCISA-N 381.234 4.313 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C 4073955 KXGVEGMKQFWNSR-FDSMIKFUSA-N 392.580 4.478 0 1 GIAF CCOC(=O)Cc1csc(NC(=S)N[C@@H](C)c2cccc3ccccc23)n1 13477188 SIBLSUOUYKIONH-ZDUSSCGKSA-N 399.541 4.450 0 1 GIAF c1ccc2c(c1)CC[C@H]2CCCN1CCN(c2cccc3c2OCCO3)CC1 13743666 IIVTVAYAEPTDFC-HXUWFJFHSA-N 378.516 4.090 0 1 GIAF C=C1C(=O)C=CC(C)(C)[C@]12C[C@H](Br)[C@](C)(Cl)C[C@H]2OC(C)=O 14860864 WJPXJFRAAMMVGZ-XOSAIJSUSA-N 389.717 4.181 0 1 GIAF biogenic CC[C@H](C)c1ncc(CO)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28569465 CGQUUYFAQMPGKQ-JTQLQIEISA-N 396.331 4.190 0 1 GIAF NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(-c2cccc3[nH]ccc23)s1 64321209 GHHOUWOEUBIUBD-SFHVURJKSA-N 395.528 4.451 0 1 GIAF N[C@H](Cc1cccc2ccccc12)C(=O)Nc1cncc(/C=C\c2ccncc2)c1 84574501 WZSVRUCBLPTNFX-XXXZYALBSA-N 394.478 4.309 0 1 GIAF Nc1ccc(/C=C/C(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1 95593404 ZBZBFTYRRMPBDT-RUDMXATFSA-N 380.879 4.102 0 1 GIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(OC)cc2)s1 100888154 VWOMMCGIMIJHDR-GENWWVBSSA-N 395.524 4.463 0 1 GIAF Cc1ccnc(Nc2cccc([C@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)c1 114346606 GCDUDPJGGBFYHV-HNNXBMFYSA-N 398.470 4.349 0 1 GIAF Cc1cccc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@H]3C2)n1 116822960 FAMXEDYJEDJJMM-OYRHEFFESA-N 383.495 4.265 0 1 GIAF COc1cc(-c2nc(N[C@H](C)c3ccccc3)nnc2C)cc(OC)c1OC 138930206 BFCSOGQVESAYIF-CYBMUJFWSA-N 380.448 4.046 0 1 GIAF Cc1ccc(Oc2cc(C(F)(F)F)ccc2C(=O)Nc2cc[nH]c(=O)c2)cn1 143180000 GVUYQPUAVUSQLF-UHFFFAOYSA-N 389.333 4.142 0 1 GIAF O=C1[C@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccnc1 195464607 BIHLYZJZNSJIGJ-MESAYYPLSA-N 380.447 4.325 0 1 GIAF COc1cc(C)c(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)cn1 586987748 FDYSUFWODHOHCM-UHFFFAOYSA-N 382.419 4.455 0 1 GIAF Sc1nnc(SCc2nc3cc(Br)cc(Cl)c3[nH]2)s1 587025808 RLYUWRICABNPDB-UHFFFAOYSA-N 393.744 4.411 0 1 GIAF CCCCOc1cc2nc(-c3nc(Cl)cnc3N)[nH]c2cc1Br 587088133 SMCWIDOAAHHSSB-UHFFFAOYSA-N 396.676 4.197 0 1 GIAF CC(C)(C)OC(=O)N(Cc1nc2ccc3c(c2[nH]1)CCCC3)C[C@@H]1CCCO1 587197634 QYLIKOSTRAPGNS-INIZCTEOSA-N 385.508 4.358 0 1 GIAF CN(C)/C=C/c1nc(O)c(Br)cc1-c1cc2c3c(cccc3n1)CC2 587208547 UKSWFQXAUJEGHF-CMDGGOBGSA-N 396.288 4.396 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)N(C)Cc1ccccc1Cl)O2 587379355 UDENLEFXBUGISK-NRFANRHFSA-N 386.879 4.003 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1c(N)sc3c1CCC3)O2 587412393 BPBCSZQHMWGGEO-QFIPXVFZSA-N 391.496 4.014 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3cccc(Cl)c3)n1)CC2=O 587463682 WTBPYFYXLAYEJH-LJQANCHMSA-N 383.835 4.285 0 1 GIAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(C)(NC(=O)OC(C)(C)C)C1 587469051 GZMWXUACDFDSKH-UHFFFAOYSA-N 375.465 4.126 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2C1 587518227 CVOWXWUCGFCWMT-DSPLJNTKSA-N 397.515 4.402 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ccccn1 587589335 UUGRGKVGUXCRLI-XUZZJYLKSA-N 396.402 4.088 0 1 GIAF O=C(O)CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601380 DABZTYQLYOUOCW-REWPJTCUSA-N 390.391 4.112 0 1 GIAF Cc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCCO2 587833999 JMWXGZBSAMLCEU-WLRWDXFRSA-N 392.268 4.291 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCCC3)s2)N1 587855728 VSIYFHFGJIDGEP-QFYYESIMSA-N 396.329 4.269 0 1 GIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587925986 FARBGANIPXHRNE-KRWDZBQOSA-N 383.492 4.062 0 1 GIAF O=C(c1ccco1)[C@@]1(c2ccco2)NC2(CC2)Cc2ccc(Br)cc21 961752297 VJESCCAGYQTYLJ-HXUWFJFHSA-N 398.256 4.440 0 1 GIAF CC=C1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OCC(F)(F)F)cc12 1857554484 VZVWEHOJACLJIR-PNHOKKKMSA-N 392.421 4.250 0 1 GIAF CC(=O)Nc1ncc(-c2cc(Cl)c3c(c2)CN([C@@H](C)C2CC2)C3=O)s1 1857638180 QLABPIVJEQYEBQ-VIFPVBQESA-N 375.881 4.176 0 1 GIAF COc1ccc(CN2C(=O)[C@](C)(O)c3cc(-c4ccc(OC)cc4)ccc32)cc1 1857771422 KLRYXALRASRZSZ-XMMPIXPASA-N 389.451 4.125 0 1 GIAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1Cc1ccc2ccccc2c1 61930614 SMUQZWLJZBTBJG-DEOSSOPVSA-N 388.467 4.214 0 3 GIAF Cc1sc2nc3c(C(=O)NCc4cccc(Cl)c4)cccn3c(=O)c2c1C 4877692 OHHAMCGGLBLXNC-UHFFFAOYSA-N 397.887 4.109 0 1 GIAF CC(C)(F)c1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651111 PWALITOXUJEEDM-LJQANCHMSA-N 378.447 4.390 0 1 GIAF CC(C)n1cc2c3c(cccc31)C1=C[C@@H](COC(=O)C3CCC3)CN(C)[C@@H]1C2 13793932 CNVVRCPQRMKLNG-OPAMFIHVSA-N 378.516 4.435 0 1 GIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC=C(C)[C@@]21CC[C@@](C)(CC(=O)O)O1 15165065 DQSQTZUSTDQHIN-KHSAKVFQSA-N 378.509 4.495 0 1 GIAF biogenic O=C1c2ccccc2C(=O)N1c1c(Br)cccc1Br 39009903 OLXTWFRQMVHRRS-UHFFFAOYSA-N 381.023 4.012 0 1 GIAF Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3[C@@H]2C)c1CO 45196381 HAASDWOKLDBJAK-HNNXBMFYSA-N 378.451 4.284 0 1 GIAF COc1cc2ncnc(Oc3ccc(Br)c(F)c3)c2cc1OC 64448385 DPDKUWBKXGAVEC-UHFFFAOYSA-N 379.185 4.341 0 1 GIAF CCN(C)C(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccc(F)cc1 82141743 VRBDZURJGXTCQB-UHFFFAOYSA-N 392.478 4.338 0 1 GIAF COc1cc2c(cc1OC)CN(CCCOc1ccc3ccccc3n1)CC2 96272355 BYXULUOFYVLWSA-UHFFFAOYSA-N 378.472 4.079 0 1 GIAF Clc1ccc(-n2cc(CCCN3CCN(c4ccccc4)CC3)cn2)cc1 96916118 HIFJFKUAMBPYFD-UHFFFAOYSA-N 380.923 4.281 0 1 GIAF C=C1C=C(C(F)F)n2ncc(C(=O)NCc3ccc(Cl)cc3Cl)c2N1 102883965 OHSZLQMKXVFEFE-UHFFFAOYSA-N 385.201 4.165 0 1 GIAF O=C(O)C1=C(C(=O)Nc2sc(C3CC3)cc2-c2nc(C3CC3)no2)CCC1 147039285 ICUUKGFBYMUDIN-UHFFFAOYSA-N 385.445 4.057 0 1 GIAF N[C@@H](Cc1cccc(Br)c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586984900 WBPUKPRDTQLUSM-QMMMGPOBSA-N 388.162 4.124 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)C(F)(F)C1 587133111 XMEKQEUEWGXABV-ZETCQYMHSA-N 393.221 4.234 0 1 GIAF NC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335183 VPJMYNRMUBBJBV-UNMCSNQZSA-N 397.833 4.398 0 1 GIAF COC(=O)CC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351499 MWQOAPLUUQPYIU-SSGSHYMRSA-N 398.430 4.382 0 1 GIAF Cc1ccc([C@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587408210 OGHLSMABWKKCSQ-DEOSSOPVSA-N 387.435 4.493 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4cc(Br)ccc4C[C@H]1C)[C@@H](C2)C3=O 587419003 RADLLWPBFDHCNG-YEDKGOCGSA-N 385.257 4.293 0 1 GIAF O=C1C[C@](Cc2c[nH]c3ccccc23)(C(=O)O)Oc2c1ccc1c2CCCC1 587522176 DSVFOKQFYYGYLO-HSZRJFAPSA-N 375.424 4.078 0 1 GIAF COC(=O)C(=O)c1c(-c2ccc(OC)cc2F)[nH]c2cc(Cl)c(F)cc12 587629229 GFKRCMZKALSHLM-UHFFFAOYSA-N 379.746 4.131 0 1 GIAF CCN(CC)c1ccc(-c2nn(C(=O)CC3CC3)c(=O)c3ccccc23)c(O)c1 587666819 FRUXXSGOYUPVPL-UHFFFAOYSA-N 391.471 4.056 0 1 GIAF Cc1[nH]nc2c1[C@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587791500 GAMCULOFQQUDDT-GIGQVBGESA-N 392.316 4.370 0 1 GIAF CCOC(=O)CC[C@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587797161 LZNODIARIIUFOL-ADLMAVQZSA-N 384.289 4.071 0 1 GIAF COC(=O)[C@@H]1CCC(C)(C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587809398 RHPGIBZWRQXSIP-BLWXERESSA-N 398.316 4.317 0 1 GIAF COc1cccc2c1[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809414 QHOLGIZLRLYLCF-WLRWDXFRSA-N 376.269 4.321 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccccc1O 587862659 UQJDNCXRJCZIJB-UHFFFAOYSA-N 392.333 4.002 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1cccc(OC)c1 587870169 BDGWJNYILLSVOR-AWEZNQCLSA-N 384.407 4.204 0 1 GIAF c1ccc(-c2cnc3cnc(Nc4ccc(N5CCOCC5)cc4)cc3n2)cc1 653726390 NFYWVJCAMOJHHV-UHFFFAOYSA-N 383.455 4.272 0 1 GIAF Cc1ccc(CNC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)s1 1772644019 UXEHANJJLFQUIY-SHTZXODSSA-N 380.521 4.039 0 1 GIAF Oc1ccc(NC[C@@H](O)CNc2ccc(-c3nc4ccccc4o3)cc2)cc1 1857548689 DZXCBEOTRUCYCZ-IBGZPJMESA-N 375.428 4.085 0 1 GIAF Cc1cc(F)c(Cl)cc1NC[C@@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 1857566214 PJKDFQYNBVBUQX-KDOFPFPSSA-N 396.915 4.287 0 1 GIAF COC(=O)CC(C)(C)C(=O)[C@@H]1CC[C@@H]2C1=CC[C@@H]1c3ccc(N)cc3CC[C@@H]21 2356482522 OGTSVFPURVFERY-WERVVEIQSA-N 381.516 4.430 0 1 GIAF CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]32)C[C@H]1OC(C)=O 2356609522 DHQLCWJHDQWZLR-BPIFGMBWSA-N 390.520 4.072 0 1 GIAF CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)C(F)(F)F)cc1 13746780 CCIWVDQRRNIYTJ-UHFFFAOYSA-N 389.377 4.003 0 1 GIAF CN1CCN(c2cnc3cc(C(F)(F)F)cc(Nc4ccccc4)c3n2)CC1 40891528 QTOWTNATYRZCCM-UHFFFAOYSA-N 387.409 4.144 0 1 GIAF CCCCn1ccc2c(C)c(NS(C)(=O)=O)c(C)c(NC(=O)C(C)(C)C)c21 43024901 HEQUJUFHPZYAJI-UHFFFAOYSA-N 393.553 4.414 0 1 GIAF Cc1nc2cc(OC(F)(F)F)ccc2n1-c1ccc(C(=O)NC2CC2)s1 58639005 ACFOZQUWTKSSQQ-UHFFFAOYSA-N 381.379 4.186 0 1 GIAF in-vivo COc1ccc(CNc2nc(N3CCCCCC3)nc3c2NCN3C(C)C)cc1 70719168 IEYREEZIBXSKBH-UHFFFAOYSA-N 396.539 4.076 0 1 GIAF CC(C)CNc1ncnc2c1nc(-c1ccsc1)n2CCc1ccccn1 82177965 YHOPBQZRYBJRIS-UHFFFAOYSA-N 378.505 4.260 0 1 GIAF CC(C)Cc1nc2c(NCc3ccccc3)ncnc2n1CCc1ccccn1 82178554 SCRXHFVITINCIN-UHFFFAOYSA-N 386.503 4.275 0 1 GIAF COc1c2c(cc(/C=C(\C)[N+](=O)[O-])c1-c1ccccc1/C=C(\C)[N+](=O)[O-])OCO2 103228562 SIXPZQSSJJBAMI-QHKWOANTSA-N 398.371 4.366 0 1 GIAF COc1ccc(Cn2cc3c(=O)n(-c4ccccc4F)nc-3c3ccccc32)cc1 144557588 FTGRAOLEHSWOFD-UHFFFAOYSA-N 399.425 4.488 0 1 GIAF O=c1[nH]nc(Cc2cccc(-c3cccc(CNC4CC4)c3)c2)c2c1CCCC2 167304178 OIEKOBCDJRXKMU-UHFFFAOYSA-N 385.511 4.159 0 1 GIAF NC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C(=O)C[C@@H]1c1cc(F)ccc1F 169312411 VJFWRSZCAULGRE-BBRMVZONSA-N 398.375 4.075 0 1 GIAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(C(=O)O)cc3)c2F)cn1 212165777 HJJKASHLMNAGMC-UHFFFAOYSA-N 393.418 4.410 0 1 GIAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ccccc3F)C[C@H]2CS1 221036733 GNYNEASZTBNKNJ-JVMOKEISSA-N 378.419 4.139 0 1 GIAF COc1cc(C(=O)NCc2cccc(Cl)c2Cl)ccc1-c1cn[nH]c1 221719460 ZQYPIHNDLBYJOW-UHFFFAOYSA-N 376.243 4.322 0 1 GIAF NC[C@H]1C[C@@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn32)C1 261118950 JEYRUWZNWJMBDP-WOVMCDHWSA-N 385.471 4.223 0 1 GIAF CC(C)CCN(C)Cc1cn([C@H]2CCCC[C@H]2OC(=O)c2ccccc2)nn1 299814183 MMOBCPONRIIEJU-LEWJYISDSA-N 384.524 4.097 0 1 GIAF COCc1cc2c3cccnc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1 299826914 ILIRNCNYSWYGAS-UHFFFAOYSA-N 397.482 4.215 0 1 GIAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586910476 PBZOUIIFPSVOIQ-SSDOTTSWSA-N 393.159 4.033 0 1 GIAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cnncc4[nH]3)c(=O)oc2c1C 586919047 XSJHJYCTIKSOMB-UHFFFAOYSA-N 390.443 4.012 0 1 GIAF Clc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2nc1Cl 586967235 RNHWFQDVWSEREB-UHFFFAOYSA-N 379.232 4.002 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(C)nccc3[nH]1)N2 587032309 SQWFACRDUXJMFI-ZTFCMROMSA-N 385.518 4.393 0 1 GIAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(=N)[nH]cc2[nH]1 587086349 GTGUFDPYBFUICY-SREVYHEPSA-N 399.285 4.401 0 1 GIAF Cc1cnc2[nH]c(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)nc2c1 587113290 GKWYTTFEYDGJHL-UHFFFAOYSA-N 380.395 4.157 0 1 GIAF Cc1cnc2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc2c1 587154916 VBQQXJLBRRYEPE-UHFFFAOYSA-N 376.391 4.090 0 1 GIAF O=C(CCc1nc2ccc(I)cc2[nH]1)c1ccc(F)cc1 587163709 UVTUCYLMFDWWKK-UHFFFAOYSA-N 394.187 4.122 0 1 GIAF Cc1ccc([C@]2(CN)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587332188 FMGQGCVAFGHIJG-GGAORHGYSA-N 377.415 4.053 0 1 GIAF CC(C)=CC[C@H]1C(=O)c2ccccc2[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O 587407292 ZONFRIOMDSMOKJ-FYSMJZIKSA-N 389.451 4.176 0 1 GIAF Cc1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(C(=O)O)=CO2 587531072 IGKWDQPRGIEHON-QHCPKHFHSA-N 376.408 4.095 0 1 GIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(F)c1F 587559852 ZSHKSIJCUHCMPZ-DYESRHJHSA-N 384.334 4.382 0 1 GIAF CC(C)C(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587703206 GDJNRNLTLNCTAA-BJOHPYRUSA-N 396.222 4.495 0 1 GIAF COc1c(F)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587721645 PWYCIWRAWPUHHJ-PWJLMRLQSA-N 386.211 4.499 0 1 GIAF CCOC(=O)[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587797714 NBMCIBYXCZDXAN-RRUGBERISA-N 384.289 4.071 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccccc2)N1 587827361 KUYILXVVIMHITA-BLVKFPJESA-N 392.268 4.231 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1nc(C)cc1C 587865848 LTHFJHSEAHCVSE-UHFFFAOYSA-N 392.381 4.121 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1nc2ccccc2[nH]1 587871896 DTWCRPUGOMFVRT-UHFFFAOYSA-N 396.447 4.397 0 1 GIAF COC(=O)c1ccc(-c2ccc([C@]3(C)NCCc4nc5ccccn5c43)cc2)cc1 962981928 HUMYWDDIKJNYTH-VWLOTQADSA-N 397.478 4.197 0 1 GIAF Cn1cc(-c2ccc(N3CCC(n4ccc5cc(Cl)ccc54)CC3)nn2)cn1 1772634406 ZKGOKZNJBOOPRT-UHFFFAOYSA-N 392.894 4.327 0 1 GIAF COc1cc2nccc([C@@H](OC(C)=O)c3ccc4c(ccn4C)c3)c2cc1OC 1772647877 ZPNILTGHEGYIDH-QHCPKHFHSA-N 390.439 4.396 0 1 GIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=C[C@H](OC=O)[C@@H]1C(C)(C)CCC[C@@]12C 2356599871 PHJOZXITNVLKST-VJMBVAOUSA-N 378.509 4.192 0 1 GIAF CC[C@H](C)CNC(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 201446770 FRAPSOIHLNRKQP-HNNXBMFYSA-N 387.553 4.100 0 3 GIAF O=C(O)CSCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 3218323 GHDVXPJSPJPAQS-UHFFFAOYSA-N 384.482 4.233 0 1 GIAF NC(=O)c1ccccc1NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 4176187 KWLNEKKVGLCXGW-UHFFFAOYSA-N 379.847 4.118 0 1 GIAF O=C(c1ccc(Sc2ccc(F)cc2)nc1)N1CCCN(C2CCC2)CC1 53247036 PEYISCLHXOPHTC-UHFFFAOYSA-N 385.508 4.072 0 1 GIAF O=C(c1ccc(Cl)cc1)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26005951 DYHZGUUFDCTMEA-QGZVFWFLSA-N 396.661 4.009 0 1 GIAF CN(C)Cc1ccc([C@H]2c3n[nH]c(=O)c4cccc(c34)N[C@@H]2c2ccccc2)cc1 117873089 JWHYKKKANGIQHW-FYYLOGMGSA-N 396.494 4.283 0 1 GIAF COC(=O)[C@@H]1CC[C@H]2[C@]3(C=NC[C@@H]13)[C@@H](OC(C)=O)C[C@H]1C(C)(C)CCC[C@]12C 2356579975 JMTFDESUPHRFIQ-OBHPBOTGSA-N 389.536 4.041 0 1 GIAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3C4=C(C(=CCCC)OC4=O)[C@@H](C[C@@H]3O)[C@@H]21 2356635233 XJWHYHJLIGBXTB-UNTXSKPGSA-N 396.483 4.098 0 1 GIAF COC(=O)[C@]1(c2ccc(C)cc2)C[C@@H]1CN1CCC(Cc2ccccc2)CC1 28634993 GOIBXJYEIIEIPH-NOZRDPDXSA-N 377.528 4.380 0 1 GIAF CCO[C@@H]1OC[C@@]23CCC[C@@]1(C(=O)OC)[C@@H]2CC[C@@H]1[C@@H](C)c2ccoc2C[C@H]13 2356760654 CCEGZEAPRHXFQB-BAYBDODMSA-N 388.504 4.304 0 1 GIAF C[C@@]12C(=O)N(c3ccccc3C(F)(F)F)C(=O)N1CCc1c2[nH]c2ccccc12 2109639 KDFYKBRHOXCROT-HXUWFJFHSA-N 399.372 4.427 0 1 GIAF biogenic FC(F)(F)c1ccccc1OC1CCN(c2ncc(-c3nnco3)s2)CC1 49089953 DMXFJXOYVJXHHZ-UHFFFAOYSA-N 396.394 4.260 0 1 GIAF CCOC(=O)C(=O)Nc1nc(-c2ccc(Sc3ccccc3)cc2)cs1 40466772 KSTKZHOUAUBOLV-UHFFFAOYSA-N 384.482 4.463 0 1 GIAF CC(C)Cc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1C[C@H]1CCCO1 82188501 NMFQMHPOMGEXSH-IEBWSBKVSA-N 393.535 4.419 0 1 GIAF CCOC(=O)c1cc(-c2csc(-c3ccncc3)n2)c(O)nc1C(F)(F)F 45245797 UEXWDCGIVHMHJZ-UHFFFAOYSA-N 395.362 4.168 0 1 GIAF Ic1cccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587016314 JQOZESDWPYNULQ-LLVKDONJSA-N 397.241 4.143 0 1 GIAF COC(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1OC 586894370 BKPLVVMFZJZCTP-UHFFFAOYSA-N 376.497 4.404 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CC1CCC2(CC1)OCCO2 587607137 GGOMBSHQWSBCHC-WOJBJXKFSA-N 396.439 4.046 0 1 GIAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cnccc3[nH]2)cc1 587165644 HMDURRFHWLZVEM-UHFFFAOYSA-N 384.418 4.434 0 1 GIAF CC1(C)OC(=O)C[C@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586906052 HMRHVYMBQAIHJI-QMMMGPOBSA-N 377.160 4.153 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1Br 587494949 APYKFYMRKNPZAF-KRWDZBQOSA-N 388.261 4.438 0 1 GIAF O=C(Nc1cccc(C(F)(F)F)c1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873765 JDAAHCQEXCCOEM-UHFFFAOYSA-N 391.280 4.093 0 1 GIAF Nc1ccc(-c2cc(O)n(-c3cnc4cc(Br)ccc4c3)c2O)cc1 587938810 BUZXMKNWLAFJIF-UHFFFAOYSA-N 396.244 4.448 0 1 GIAF Cc1cc(Br)cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 587043645 SDFUWNWSGDBFSE-LBPRGKRZSA-N 382.327 4.254 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3 587189415 AFJVYGHPBLZCJW-LJQANCHMSA-N 395.459 4.290 0 1 GIAF C[C@@]1(c2ccc(N3CCOCC3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508565 WLURNUSCEHCGDN-DEOSSOPVSA-N 395.474 4.422 0 1 GIAF O=C(CCc1nc2cc(Br)cc(F)c2[nH]1)Nc1cccc(F)c1 587164050 XYXYUIALYTZWSA-UHFFFAOYSA-N 380.192 4.175 0 1 GIAF O=Cc1ccc(OCc2occc2-c2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 586900849 NSRUKIHFLVPRHG-UHFFFAOYSA-N 380.331 4.052 0 1 GIAF CC[C@@]1(c2c[nH]ccc2=N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338764 RLQGOUSHFDSYIZ-IRLDBZIGSA-N 378.403 4.003 0 1 GIAF CCOC(=O)Cc1ccc2nc(C[C@]3(CC)CC(=O)c4ccccc4C3)[nH]c2c1 587960584 MMELHPFQZLYQCB-DEOSSOPVSA-N 390.483 4.437 0 1 GIAF CCn1cc(Cl)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587555020 ZBWLFZBCRZZFCT-OXJNMPFZSA-N 384.819 4.139 0 1 GIAF COCCn1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587575672 GHQWONRJLUSORN-NFBKMPQASA-N 393.439 4.160 0 1 GIAF COc1cccc([C@H](C)Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 587929641 CDOGOAWZADQTEY-SNVBAGLBSA-N 389.249 4.378 0 1 GIAF CC(C)NC(=O)c1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962698708 JHBXZQBTEHPJQW-GCJKJVERSA-N 398.547 4.417 0 1 GIAF CCOc1ccnc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962642126 NOFPRJWOPXJXFL-SQJMNOBHSA-N 385.511 4.317 0 1 GIAF C[C@@]1(c2ccc(Cl)nn2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962639265 PYBCYQRRKAPKKK-CVDCTZTESA-N 390.918 4.140 0 1 GIAF Cc1ccc([C@]2(c3cnccc3C)N[C@H](C(=O)O)Cc3cccc(F)c32)c(C)c1 962905095 YFVAWXPPJMGZJZ-XUZZJYLKSA-N 390.458 4.037 0 1 GIAF O=C(c1nnc(NC2CC2)o1)c1nc2ccc(-c3ccc(F)cc3)cc2s1 1772585495 PRECKDVSVZDPGV-UHFFFAOYSA-N 380.404 4.291 0 1 GIAF O=C1[C@H](N2CCC[C@@H](c3ccc(O)cc3)C2)CCCN1Cc1ccc(Cl)cc1 1772631188 LUTJNLKVMPYVLM-DENIHFKCSA-N 398.934 4.416 0 1 GIAF CCc1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1 13553796 KFHXMNLETQUHST-UHFFFAOYSA-N 378.398 4.017 0 1 GIAF COc1ccc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)cc1 14948353 VGVRISWNDRORTB-UHFFFAOYSA-N 375.259 4.167 0 1 GIAF Oc1cccc(C[C@H](c2cccc(O)c2)N2CCN(C3CCCCC3)CC2)c1 169317914 GRCATKPHHRQNOX-XMMPIXPASA-N 380.532 4.332 0 1 GIAF N[C@@H](Cc1ccccc1)CN(CCc1ccccc1)C(=O)/C=C/c1ccccc1 1857537193 VCRICXGTRZQFNO-OSBDDZKNSA-N 384.523 4.341 0 1 GIAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773564 HKBWKPOCLIMDFE-BLLLJJGKSA-N 388.464 4.346 0 1 GIAF Cc1ccc2c(c1)C(N1CCN(Cc3ccccc3)CC1)=Nc1cccnc1N2 13492079 MWNAGOUSOIZQAK-UHFFFAOYSA-N 383.499 4.343 0 1 GIAF O=C(c1ccc(Cl)cc1)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26005957 DYHZGUUFDCTMEA-KRWDZBQOSA-N 396.661 4.009 0 1 GIAF Cn1cc([C@@H]2CCN([C@@H]3Cc4cccc5cccc3c45)C[C@@H]2O)c2cccnc21 36221542 VOHINDSZXQXORW-NMNUPHIUSA-N 383.495 4.174 0 1 GIAF COc1ccc(NC(=O)[C@@H](C)Nc2cc(C)nc(NCC3CCCCC3)n2)cc1 45229387 OJCWRANTSZJZGN-MRXNPFEDSA-N 397.523 4.225 0 1 GIAF CN1CCN(c2nc(-c3ccccc3)nc3c2oc2ccc(Cl)cc23)CC1 49525619 XGCSKGYWSGKZGI-UHFFFAOYSA-N 378.863 4.448 0 1 GIAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82136275 GZRSSUMSWDVPHR-KUHUBIRLSA-N 382.483 4.413 0 1 GIAF Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1cccc(F)c1 96929251 CFBQODKVKOEVIB-LAUBAEHRSA-N 381.495 4.449 0 1 GIAF CC1(C)OC[C@]2(C[C@]34C[C@@H]2CC[C@H]3[C@]2(C)CCCC(C)(C)[C@H]2C(=O)[C@H]4O)O1 101279237 GPDYNSLXYAITQJ-SKUUYEPTSA-N 376.537 4.091 0 1 GIAF Fc1cccc(F)c1CNc1ccc(-c2nc3c(cc2Cl)OCCO3)cn1 149810432 KKOQEXHGRMXSKD-UHFFFAOYSA-N 389.789 4.459 0 1 GIAF Nc1cnc(Sc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cn1 224746806 QMCASGKHWRNSTN-UHFFFAOYSA-N 390.447 4.055 0 1 GIAF CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccc3c(c2)OCO3)C1 238770638 BQGTYCZFWMVNFB-PABCKOPISA-N 386.488 4.484 0 1 GIAF CCCC[C@@H](CC)CNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12 299834839 UWLYAOJAQQPBDW-CQSZACIVSA-N 385.468 4.189 0 1 GIAF COc1ccc2nc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)sc2c1 587035183 MWVMQBHZYBWWOK-UHFFFAOYSA-N 385.758 4.262 0 1 GIAF O=c1ccc(-c2nc3cccc(O)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587059158 UIPLVVGBIZQSBJ-UHFFFAOYSA-N 386.238 4.452 0 1 GIAF O=C(Cc1ccc(Cl)cc1)c1nc2c(I)cccc2[nH]1 587072645 SYJSDAFTORDKOT-UHFFFAOYSA-N 396.615 4.246 0 1 GIAF CC(C)(C)c1ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2n1 587119469 CXQZEQQWLSHSEB-UHFFFAOYSA-N 377.414 4.398 0 1 GIAF O=C(/C=C\c1nc2ccc(F)c(Br)c2[nH]1)Nc1ccc(F)cc1 587167368 RPHZNGDLPFYDSP-FPLPWBNLSA-N 378.176 4.256 0 1 GIAF CC(C)(C)OC(=O)N[C@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)C1CCCC1 587225084 JQQZLDGCUYNQGI-SFHVURJKSA-N 384.480 4.204 0 1 GIAF CCOC(=O)CNc1ccc(-c2nc3c(C)c(Br)ccc3[nH]2)cc1 587227317 KODNHHLNZKKFNP-UHFFFAOYSA-N 388.265 4.276 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N3CCCCC3)nc1Cl)O2 587413109 MFWWUNLFPLADKW-CQSZACIVSA-N 377.897 4.384 0 1 GIAF CC(C)COc1cccc(OCc2nc3ccnc(Br)c3[nH]2)c1 587566117 WAXQULBMDOBJNP-UHFFFAOYSA-N 376.254 4.334 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccccc2)no1 587585549 FYIFCRRLPYERRZ-XLIONFOSSA-N 386.363 4.145 0 1 GIAF Cc1[nH]nc2c1[C@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594120 KIAFHOJPJCBQER-XXBNENTESA-N 390.439 4.253 0 1 GIAF CCC[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596902 PTZKTGACBIOTRY-QRFQSNJMSA-N 384.428 4.092 0 1 GIAF O=C(O)CCc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603742 OWFUDABNQQPABJ-NFBKMPQASA-N 390.391 4.112 0 1 GIAF Cc1nc2sccn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587616065 AWZKBWYPGFDIGP-BEFAXECRSA-N 378.409 4.113 0 1 GIAF O=C(c1sccc1OCc1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587654581 VBTXUGWFQIDOCG-UHFFFAOYSA-N 396.855 4.379 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C2(C)CC2)(C(F)F)N1 587723079 VGEJSIJYOSIVMT-XYZCENFISA-N 390.243 4.342 0 1 GIAF CC(C)NC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587739363 AVGOFQUGMCZWBB-JLTOFOAXSA-N 391.328 4.364 0 1 GIAF COc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)nn1C 587759056 RVPCYQOEWGOGKH-BTDLBPIBSA-N 396.304 4.077 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](c3ccnn3C)C2)N1 587759786 MURYJVXOSVKMES-VPZZIHKRSA-N 392.316 4.409 0 1 GIAF CC(C)Oc1ncccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587775026 YDHUKWQCEGICPK-DIFFPNOSSA-N 379.273 4.394 0 1 GIAF CCC[C@]1(c2c[nH]c(C(=O)O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795944 YWORPTGUVJCJFJ-XTZNXHDOSA-N 395.272 4.192 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@@]12CCC[C@@H](c1ccnn1C)C2 962369390 DAWFDIMZYSVONJ-VGSWGCGISA-N 380.561 4.432 0 1 GIAF CCOC(=O)[C@@]1(c2cccc(C)c2C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962638641 XDJPDIIHOQQGTM-VOIUYBSRSA-N 397.515 4.004 0 1 GIAF C[C@H]1[C@H](C)C[C@]2(NCCc3c(C(=O)O)cccc32)[C@H](C)N1Cc1ccccc1 963128128 ZRWSJGIFKQAFFA-REYXVDKWSA-N 378.516 4.045 0 1 GIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](CCc2ccc(O)cc2)N1 963187417 UNLUNYHTQJBWTP-IAGOWNOFSA-N 399.796 4.337 0 1 GIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CC(=O)O)[C@@](C)(O)CC[C@@H]21 2356332701 ISGZIAHLYCQZFM-NQOGSSOHSA-N 380.525 4.334 0 1 GIAF C[C@@H]1CC[C@@H]2[C@H](O)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC=C4C[C@H](O)CC[C@@]45C)[C@@H]3CN2C1 2356505960 VJYPILHMXGYWKP-XHZAIOBQSA-N 399.619 4.237 0 1 GIAF CC(=CCC[C@@]1(C)C=Cc2c(O)cc(C)c(C=O)c2O1)CC[C@H](O)C(C)(C)O 2356789012 CUBOHSIABUSNJM-REWPJTCUSA-N 388.504 4.316 0 1 GIAF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)N5CCOCC5)[C@H]4CC[C@]3(CC1=O)C2 61959363 XMRZFKRYGMRYPA-KEPNZDNYSA-N 387.564 4.217 0 3 GIAF CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)cc1 770097 NZGHNZINONOUNR-RBBKRZOGSA-N 379.504 4.056 0 1 GIAF CC[C@@H]1Oc2ccc(Cl)cc2N(CC(=O)NC2CCCCCCC2)C1=O 3060466 SMAYHULIPUSYTE-KRWDZBQOSA-N 378.900 4.073 0 1 GIAF COc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1C 3814674 MUGCQDUJQZLPRQ-UHFFFAOYSA-N 389.423 4.263 0 1 GIAF COc1ccc2c(n1)C(=C1CCN(C(C)=O)CC1)c1ccc(Cl)cc1CC2 26011675 FVYIBPNHJQUMIF-UHFFFAOYSA-N 382.891 4.286 0 1 GIAF O=C1N[C@H](c2ccccc2)C2(CCN(CCc3c[nH]c4ccccc34)CC2)O1 28762008 XBZUMDZIFMNMLE-OAQYLSRUSA-N 375.472 4.026 0 1 GIAF N=C1N[C@@](c2ccccc2)(C2CCCCC2)C(=O)N1Cc1cc(F)cc(F)c1 34948614 QUKQOEWZOAXBOR-QFIPXVFZSA-N 383.442 4.307 0 1 GIAF CCn1c(C(=O)c2ccccc2F)nc2cnc(Oc3c(F)cccc3F)nc21 40567272 PMJRNRWAFXXKEI-UHFFFAOYSA-N 398.344 4.287 0 1 GIAF COc1ccc(CCC(=O)OC/C=C\c2ccc(Br)cc2)cc1O 43020462 BENBHMGTPWCIKB-IHWYPQMZSA-N 391.261 4.353 0 1 GIAF CCCNC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1C(=O)C1CCCC1 95667093 ADFMEJLVIJIYLT-WXFUMESZSA-N 396.575 4.099 0 1 GIAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]2c3cc(Br)ccc3C[C@@H]21 117626648 YAVZBBIRVYJSEO-KXBFYZLASA-N 396.288 4.270 0 1 GIAF O=C(O)c1ccc(O)c2ncc(N3CCCC[C@H]3CCc3ccccn3)cc12 169340467 MHUSDGUNSHWROY-INIZCTEOSA-N 377.444 4.025 0 1 GIAF Cc1ccc(Cn2nc3c4ccccc4n(Cc4cccnc4)cc-3c2=O)c(C)c1 299823761 ULZLJOSTWUMHJX-UHFFFAOYSA-N 394.478 4.411 0 1 GIAF COCOc1c(OC)cc(C(=O)c2csc(-c3ccccc3)n2)cc1OC 299830373 MVLISLUPDFWEBP-UHFFFAOYSA-N 385.441 4.041 0 1 GIAF CC(C)NC(=O)CCC[C@@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 299836575 NPVKWBIJVJFUMT-LLVKDONJSA-N 388.689 4.131 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586915118 BAYHBGUPFSIRGG-IVZQSRNASA-N 390.418 4.104 0 1 GIAF Cc1cccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 586938641 QIUXEUHITVXNAG-INIZCTEOSA-N 377.897 4.200 0 1 GIAF CN(C)C(=O)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587077117 QFLYUTDXUCEYIQ-IBGZPJMESA-N 382.895 4.255 0 1 GIAF CC[C@H](C)n1ncc(I)c1-c1nc2c(F)cccc2[nH]1 587181224 OQGLMZXINQLOGB-QMMMGPOBSA-N 384.196 4.141 0 1 GIAF C[C@@H]1C[C@]2(CC[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347522 BFMIRHLBNFICKA-RSJCKRCISA-N 384.403 4.150 0 1 GIAF CC(C)(C)OC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353418 ZDAUZTOVSKBZBE-KNQAVFIVSA-N 386.419 4.381 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1sc(Nc4cccnc4)nc1C)[C@@H](C2)C3=O 587453822 ZTLBAOOEPUOOBG-YCRPNKLZSA-N 393.468 4.262 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N1CCN(CC)CC1)CC2=O 587474612 ITYQZFXVOWSYTC-HSZRJFAPSA-N 394.515 4.193 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCn1cncn1)(c1ccc(C)cc1)CC2=O 587481942 YCENBGNCZSXBGQ-QHCPKHFHSA-N 391.471 4.196 0 1 GIAF Cn1ccc([C@@]2(c3ccc(F)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587503286 DRRCUDKQJWXWGT-QHCPKHFHSA-N 376.431 4.347 0 1 GIAF CC(C)COc1cccc(OCc2nc3cc(Br)cnc3[nH]2)c1 587566109 VPWBPXPTWCVIML-UHFFFAOYSA-N 376.254 4.334 0 1 GIAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O 587604667 VEASUAYMNPSCQR-UHQRYESRSA-N 378.424 4.118 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2nsnc2c1 587620346 YHWSUBQNAQWANS-PXNSSMCTSA-N 376.393 4.100 0 1 GIAF Cc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2[C@@H](C(=O)O)n2cncn2)cc1 587627487 YFPXRYNXMHWJNW-IBGZPJMESA-N 380.835 4.371 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccc(F)cc3[nH]2)N1 587731846 LJFDKLLFIUBXKA-VPTHRUTESA-N 378.220 4.227 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2cccnc2)N1 587774021 KYVTUSQRHBGIFE-BBATYDOGSA-N 377.257 4.006 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3ccccc3n2)N1 587779450 SKSIOJOYYNRAII-WYRIXSBYSA-N 386.268 4.329 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ncccc1-c1cccnc12 587779792 WAXDRSFNVQMJCF-NSHDSACASA-N 396.263 4.185 0 1 GIAF COc1cccc2c1OCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587836453 VELRCXPQJBADBO-WLRWDXFRSA-N 392.268 4.157 0 1 GIAF COC(=O)c1cc2[nH]c(C3(c4cccc(OC)c4)CCCC3)nc2cc1OC 587933892 YYFCNFQVTDDOCZ-UHFFFAOYSA-N 380.444 4.227 0 1 GIAF Cc1nn2c(=O)cc(-c3ccc4n[nH]cc4c3)[nH]c2c1-c1ccc(Cl)cc1 653664900 YKQNUNMNWNCPCM-UHFFFAOYSA-N 375.819 4.195 0 1 GIAF Cc1nn(C)c([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c1Cl 962642204 OGLFNSBKRYYFHM-KNQAVFIVSA-N 392.934 4.218 0 1 GIAF COc1ccc([C@H]2C[C@@H]2[C@@]2(C)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962770915 UDDHIVIOEYJAPE-SAJDGTNDSA-N 389.417 4.360 0 1 GIAF Cc1ncc([C@@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)s1 962961396 UKUVPBVMSTYYQE-KRWDZBQOSA-N 382.451 4.385 0 1 GIAF Clc1ccccc1C[C@@]1([C@@H]2CCCS2)NCCc2nc3ccccn3c21 962992102 XCPDTVNALHOJJL-RXVVDRJESA-N 383.948 4.467 0 1 GIAF COc1cccc2cc3c(nc12)[C@@](CCCC(=O)O)(c1sccc1C)NCC3 963061920 ZJVSJDSNBDPHFZ-QFIPXVFZSA-N 396.512 4.258 0 1 GIAF CCc1cnc([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)s1 963178204 JCPNNQSMKVJUHK-OLZOCXBDSA-N 390.814 4.066 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21C(c2ccccc2)=C(N)c2ccccc21 963609598 NQLZZPUVDDKSNJ-DXPJPUQTSA-N 398.506 4.322 0 1 GIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C(=O)OC)=CC[C@H]1C(C)(C)CCC[C@]12C 2356574255 SKINSGNGSUPVKT-ZIPUMODLSA-N 378.509 4.193 0 1 GIAF Cc1cc(C(=O)N[C@@H](C)c2c(-c3ccc(Cl)cc3)noc2C(=O)O)c(C)o1 2356691354 GUZBIAHNNSKUIH-JTQLQIEISA-N 388.807 4.394 0 1 GIAF CCc1ccc([C@@H]2C[C@H](c3ccc(OC)c(OC)c3OC)n3ncnc3N2)cc1 2915278 DGPGFLRIXBIHMU-ZWKOTPCHSA-N 394.475 4.013 0 1 GIAF CN(CCOc1ccccc1)C[C@H]1COC(c2ccccc2)(c2ccccc2)O1 13517526 MYMXZYVALFYXSE-DEOSSOPVSA-N 389.495 4.314 0 1 GIAF O=C(Nc1ccc(-c2ccccc2)cc1)C1=C(O)[C@H](CCc2ccccc2)NC1=O 29127001 PINZJYQEHNHEHX-NRFANRHFSA-N 398.462 4.235 0 1 GIAF CCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)C[C@H](C)c2c1[nH]c1ccccc21 40835868 MVYSSTPZWAVKFN-AWEZNQCLSA-N 392.430 4.471 0 1 GIAF COc1ccc2[nH]cc(C3=CCN(C[C@H]4C[C@@H]4C(=O)c4ccccc4)CC3)c2n1 45193068 RHFHJKYBOJRHMS-MOPGFXCFSA-N 387.483 4.180 0 1 GIAF Fc1ncccc1-c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1 45320225 UHPDNBNYOLQPBZ-UHFFFAOYSA-N 397.523 4.347 0 1 GIAF O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)P(=O)(O)O)cc1 49032605 IMFDBSZVYIBECJ-UHFFFAOYSA-N 395.220 4.185 0 1 GIAF CCOC(=O)c1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)on1 49035614 YFORIZAFPLSIPG-OAHLLOKOSA-N 379.460 4.093 0 1 GIAF O=c1[nH]c(=O)n(Cc2cccc(Oc3ccccc3)c2)cc1Nc1ccccc1 64550040 ZQPDAPMBUZDSAO-UHFFFAOYSA-N 385.423 4.121 0 1 GIAF C(CCNCc1nnnn1Cc1ccccc1)=C(c1ccccc1)c1ccccc1 73165654 NBPIVIMFZNGENI-UHFFFAOYSA-N 395.510 4.333 0 1 GIAF O=C(NCC1CCCCC1)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82136308 ZHIMUOKMOIWYSB-UHFFFAOYSA-N 382.483 4.415 0 1 GIAF COc1cc(CNc2cc(-c3cc(C)ccc3C)ncn2)cc(OC)c1OC 82167609 ASTYZRSTFSONKX-UHFFFAOYSA-N 379.460 4.398 0 1 GIAF CCNc1ncc(C)c(NCc2ccc(NC(=O)c3ccc(F)cc3)cc2)n1 84634925 FXIBVVUKHTWLPL-UHFFFAOYSA-N 379.439 4.220 0 1 GIAF Nc1cc(Nc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)nc(N)n1 95593492 PWCSAEAJEYAFCR-UHFFFAOYSA-N 377.839 4.330 0 1 GIAF O=C1OCc2c1cc1ccc3c(c1c2-c1ccc2c(c1)OC(F)(F)O2)OCO3 96909753 TZVBJYNULOIPNV-UHFFFAOYSA-N 384.290 4.227 0 1 GIAF Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccn4nnc(N)c34)cc2)c1 220447805 RHRHRJRCXMSFND-UHFFFAOYSA-N 376.395 4.070 0 1 GIAF Cc1cc(C)cc(N(C(=O)Nc2ccccc2S(N)(=O)=O)c2ccccc2)c1 473129754 ILZDDIDYWFTXSH-UHFFFAOYSA-N 395.484 4.321 0 1 GIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C(F)(F)F)cnc2[nH]1 587064418 ANAJZDTZZVAPGT-UHFFFAOYSA-N 385.729 4.030 0 1 GIAF FC(F)=C(C[C@H]1CCCN1)c1nc2c(Br)cnc(Cl)c2[nH]1 587088169 JTZBSNNGZHINIM-ZCFIWIBFSA-N 377.620 4.124 0 1 GIAF Fc1c(F)c(-c2nc3ccnc(Br)c3[nH]2)c(F)c(F)c1S 587135205 WBBCSWXCDSXPDZ-UHFFFAOYSA-N 378.148 4.233 0 1 GIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(C(N)=O)cc3[nH]2)c(F)c1 587144700 NTLTZMPMPOZWCF-UHFFFAOYSA-N 389.386 4.142 0 1 GIAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cnccc3[nH]2)c1C 587166159 UJKLCWPNRVEOJF-UHFFFAOYSA-N 392.434 4.293 0 1 GIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Cl)ncc2[nH]1 587197950 BUSMBPTWEWBZKN-UHFFFAOYSA-N 377.835 4.137 0 1 GIAF CCc1nccnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334691 FTWPKCYEKVFDLF-UGKGYDQZSA-N 378.403 4.158 0 1 GIAF Nc1cccc2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336630 NXUVDQWJPCKCCU-FYYLOGMGSA-N 375.399 4.314 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(-c4ccccc4)nc4ccccn14)[C@@H](C2)C3=O 587437243 YQWPXPIJBRRYIW-XDHUDOTRSA-N 382.419 4.499 0 1 GIAF C=CN1CC[C@H]([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587512950 GXJOFSHRBCLZIC-SQJMNOBHSA-N 387.479 4.418 0 1 GIAF CCOC(=O)c1c(CN2C(=O)c3ccccc3C2=O)[nH]c2c(C)cc(Cl)cc12 587627324 SHKIVDYSQFVUJT-UHFFFAOYSA-N 396.830 4.103 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(C(=O)O)c2)N1 587713946 DOKYGYYJHTXHHV-PWJLMRLQSA-N 382.204 4.049 0 1 GIAF COC(=O)C[C@H](C)Cc1nc2cc(OCCC(C)C)c(Br)cc2[nH]1 587783217 IMUOVVZUELXPJG-GFCCVEGCSA-N 397.313 4.492 0 1 GIAF COC[C@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587798211 YPZQKCFAROLFDA-YJYMSZOUSA-N 378.285 4.207 0 1 GIAF COC(=O)C[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587809066 QBOHREMZRLWHLE-RRUGBERISA-N 384.289 4.071 0 1 GIAF COc1cccc(C(=O)c2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2)c1 587932774 VQDMVPJDYHOWIA-UHFFFAOYSA-N 386.407 4.241 0 1 GIAF CC1(C)C[C@@H]([C@]2(Cc3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)CCO1 962918483 IDDLITFVODMXEV-XZOYJPPVSA-N 397.490 4.068 0 1 GIAF N[C@H](Cc1ccc(F)cc1)c1csc(N=c2ccc(-c3ccccc3)n[nH]2)n1 1857576944 ZNSRWDSHZZHZEV-QGZVFWFLSA-N 391.475 4.147 0 1 GIAF Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc3ccccc3c1)CS(=O)(=O)O2 1857591001 SJQPLSUPDAQGKK-FQEVSTJZSA-N 390.464 4.188 0 1 GIAF CC(=O)O[C@H]1C[C@]2(C)C[C@H](OC(C)=O)C[C@H]2[C@@H]2CC[C@H]3C(=O)CCC[C@]3(C)[C@@H]12 2356436770 ZIHQYPUMMFHRCD-CWFZLGOJSA-N 390.520 4.072 0 1 GIAF C[C@@H]1CO[C@@H]2c3c(O)cc4scnc4c3C[C@@H]3[C@@H](C(=O)O)CC[C@@H]4[C@H]1CC[C@@]234 2356759248 VUPURRJSLQKYJL-KNWFDSLTSA-N 399.512 4.389 0 1 GIAF C[C@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1 5135461 PYTFYZUUDYGSOF-WMZOPIPTSA-N 399.560 4.086 0 3 GIAF CCC[C@@H](C)[C@H](OC(=O)/C=C/c1ccccc1)[C@H](C)[C@H](O)C/C=C/C=C\C(N)=O 3824862 OJAGQZQYWOJBHT-PKJHRQCFSA-N 399.531 4.033 0 1 GIAF in-vitro Cc1ccc2nc(C[C@@H]3CN(Cc4cccc(F)c4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305840 MBJFXMFFESAWGJ-QZTJIDSGSA-N 395.478 4.166 0 1 GIAF Cc1ccc2nc(C[C@@H]3CN(Cc4cccc(F)c4)CC[C@H]3CC(=O)O)[nH]c2c1 2356305841 MBJFXMFFESAWGJ-ZWKOTPCHSA-N 395.478 4.166 0 1 GIAF CC(C)C(=O)Oc1c2c(c(OC(=O)C(C)C)c3cc(Cl)ccc13)OCCO2 26248899 GPLKSZINNLWIAA-UHFFFAOYSA-N 392.835 4.387 0 1 GIAF Brc1ccc2ccn(CCN3CCN(C4CCCCC4)CC3)c2c1 22939981 CJHRONHFCWOANW-UHFFFAOYSA-N 390.369 4.354 0 1 GIAF O=C(c1ccoc1)N(c1ccncc1)C1CCN(CCc2ccccc2)CC1 27733798 OSEPPDGMSIYCRF-UHFFFAOYSA-N 375.472 4.029 0 1 GIAF COc1cccc(NC(=O)Nc2cccn(Cc3cccc(Cl)c3)c2=O)c1 64528096 ZKNTYDJXODNADG-UHFFFAOYSA-N 383.835 4.203 0 1 GIAF CC1=C2C3=C[C@@]4(C)O[C@]5(CC(C)C)NC(=O)[C@]3(C(=O)C[C@H]2CCCC1)[C@H]5[C@@H]4C 2356728213 CFVDPKHKEWPBHC-OHYIZLFXSA-N 383.532 4.306 0 1 GIAF O=C(O)CCC/C=C/C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CCNC(=O)Nc1ccccc1 26496977 QDCBWGKZRZYILC-URXXEUQSSA-N 386.492 4.193 0 1 GIAF Cn1c2ccc(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O 34096616 CPMQDKJELBGISQ-UHFFFAOYSA-N 376.799 4.241 0 1 GIAF O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1ccc(CNc2cccc3cccnc23)cc1 73312389 JGHLWQDJAOIWKC-VVIORFSUSA-N 397.478 4.382 0 1 GIAF O=C(N[C@@H](c1ccc(Cl)c(F)c1)C1CCNCC1)c1ccc2cnccc2c1 72177254 MUHSEKFDAVMYHO-OAQYLSRUSA-N 397.881 4.498 0 1 GIAF Cc1c(-c2ccc3c(c2)[C@@H](NCCCN2CCCCC2)CC3)cnc(N)c1C 45193062 MAMZMQAQPKILJO-QHCPKHFHSA-N 378.564 4.401 0 1 GIAF COc1cc2nc(NCc3ccc(F)cc3)nc(NCC(C)C)c2cc1OC 82127990 GWQYHKNBINXMOQ-UHFFFAOYSA-N 384.455 4.466 0 1 GIAF COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@@H](OC)[C@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 195426347 VVOONWVRIYRRAY-BMKDPHKUSA-N 380.415 4.264 0 1 GIAF COc1ccnc(Oc2ccc(-c3c(C)n[nH]c(=O)c3C)c(C)c2)c1C(F)F 261112820 IHICTSGISSMJDY-UHFFFAOYSA-N 387.386 4.496 0 1 GIAF Cc1ccc2nc(Sc3sc(N)nc3C)n(-c3ccccc3)c(=O)c2c1 299834138 UJJYBEMFWVBOFK-UHFFFAOYSA-N 380.498 4.192 0 1 GIAF CCN(CC)C(=O)C[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 299870146 NUYXZZNRVPOMFS-WQPSAOEMSA-N 383.532 4.302 0 1 GIAF in-vivo CSc1nn2cc(-c3nc4c(OCc5ccccn5)cccc4o3)nc2s1 653767467 CSEAWEMPIOGMDC-UHFFFAOYSA-N 395.469 4.295 0 1 GIAF O=C(N[C@@H](CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccccc3)c2c1 653849911 UMBKGUHAJYQXKR-FQEVSTJZSA-N 391.858 4.347 0 1 GIAF Cc1noc(C2CCC3(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc23)n1 587795365 OEIZPUVXZKWGCA-LRWYKZPYSA-N 394.288 4.367 0 1 GIAF CC(C)N(C)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587743140 VUHQWKTUYMSVMS-BUXKBTBVSA-N 392.316 4.451 0 1 GIAF COC(=O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017335 JXSLROARAWHNJQ-UHFFFAOYSA-N 377.425 4.075 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCN(Cc3cccc(OC)c3)CC1)CC2=O 587474519 HRGPWJOXECFCCL-UHFFFAOYSA-N 395.499 4.353 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)Oc3c(C)cc(C)cc31)CC2=O 587485668 JMLKBLFLIPWXCE-QHCPKHFHSA-N 394.423 4.183 0 1 GIAF C[C@]1(c2ccc(-n3cccn3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582767 QUSBSFHTLGAFTQ-ZJSXRUAMSA-N 398.418 4.455 0 1 GIAF COC(=O)C[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H]1C 587351635 NFAAOAWUYHSPME-DFPHTIBQSA-N 398.430 4.238 0 1 GIAF CCCCOc1cc2nc([C@H](O)c3cccc(O)c3)[nH]c2cc1Br 586888169 BJDIDVWCHUZFCU-QGZVFWFLSA-N 391.265 4.292 0 1 GIAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(F)c2[nH]1 586935308 DPNJFYFSRNYDLH-HNNXBMFYSA-N 381.860 4.031 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(-c3ccc(OC)cc3)c1)CC2=O 587477915 VUMUOKQEZPTTGL-QHCPKHFHSA-N 392.455 4.420 0 1 GIAF CCCn1ncc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587765829 UJMFMEBVPGDWLX-ADLMAVQZSA-N 380.305 4.301 0 1 GIAF N=c1[nH]c2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc-2c(Cl)[nH]1 587093969 WOUXLAZZYQOLER-UHFFFAOYSA-N 381.667 4.075 0 1 GIAF CCOC(=O)[C@H](CCOC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106177 IODTUJAQJICHER-MRXNPFEDSA-N 375.424 4.129 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)CCO3)N1 587837141 ZRWBCZXDOFPIBE-JEOXALJRSA-N 376.269 4.321 0 1 GIAF Cc1c(-c2nc3c(Cl)ncc(Cl)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029075 HAXVYLCOVRHYQN-UHFFFAOYSA-N 392.271 4.414 0 1 GIAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccnc(Br)c2[nH]1 587027190 QWCICXKZWXNVFI-UHFFFAOYSA-N 375.251 4.336 0 1 GIAF Fc1cc(Br)cnc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587156206 ZIYZOWPRHNSNTK-UHFFFAOYSA-N 376.107 4.425 0 1 GIAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1cccnc1Cl)CC2=O 587463663 ZHHLYVSTAVSKDK-SKIIKRCTSA-N 386.879 4.329 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(F)ccc(F)c12 587567080 BYIJWACJSMJDSZ-XMSQKQJNSA-N 396.345 4.310 0 1 GIAF CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587383937 HUGHPFJGXOKUEA-KRWDZBQOSA-N 382.391 4.081 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(OC[C@H]3CO3)cc1)CC2=O 587492704 RSZSOWQGIOHJAO-MHECFPHRSA-N 396.483 4.479 0 1 GIAF CC(C)c1nn(C)c2c1[C@@]1(C[C@@H](c3cccc(O)c3)Oc3ccccc31)NCC2 962918969 OJCUGOPSQHMBEH-URXFXBBRSA-N 389.499 4.162 0 1 GIAF CN(C)CCn1ccc2c(NS(=O)(=O)c3cccc4ccccc34)cccc21 13611667 FNTDBBVCBHXBBX-UHFFFAOYSA-N 393.512 4.157 0 1 GIAF CN(C)CCCNc1ccc(-c2cc(Nc3cccc(Cl)c3)ncn2)cn1 13682644 YDJIFKISSQNAIS-UHFFFAOYSA-N 382.899 4.299 0 3 GIAF O=C(NCCCCCCNC(=O)N1Cc2ccccc2C1)c1cccc(Cl)c1 166928224 HDNLMVPAPLUTGY-UHFFFAOYSA-N 399.922 4.356 0 1 GIAF OC[C@@H]1O[C@@H](c2ccc3c(c2)OCO3)C=C[C@@H]1Oc1cc(Cl)cc(Cl)c1 7992645 JONOAXKZHQFNEU-AYBZRNKSSA-N 395.238 4.158 0 1 GIAF O=S1(=O)C=C(Sc2nnc(-c3ccccc3Cl)o2)c2ccccc21 10489468 BRKWENIVBVBFMR-UHFFFAOYSA-N 376.846 4.268 0 1 GIAF CCCCO[C@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 13641955 OKTVHQFOSCKVJL-MRXNPFEDSA-N 397.294 4.182 0 1 GIAF O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCc2cccnc2)CC1 13782295 RIRZGPZJLGTTBW-UHFFFAOYSA-N 392.330 4.073 0 1 GIAF O=C1NCCN1CCN1CCC[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)C1 13862733 XTOXNGQJKCDLHX-LJQANCHMSA-N 388.515 4.040 0 1 GIAF COc1ccc2c(c1)[C@@H](NCCN1CCN(c3ccc(Cl)cc3)CC1)CCC2 22939543 MFLTUPXICJHQFA-QHCPKHFHSA-N 399.966 4.138 0 1 GIAF COc1ccc([C@@H]2CC3(N(C)C)CCNC2[C@H](c2ccc(OC)cc2)C3)cc1 40413442 HXGYTLATAQPYNJ-WOLZVPSQSA-N 380.532 4.027 0 1 GIAF COc1ccccc1N(C)CCNc1cc(C)nc(Nc2ccc(C)cc2)n1 45202971 KLECPOZVMLVTJO-UHFFFAOYSA-N 377.492 4.394 0 1 GIAF CCNc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1OC 49018587 YVXMFUHTLHNJGZ-UHFFFAOYSA-N 380.492 4.345 0 1 GIAF in-vitro CCOc1ccc(-c2nc(CN[C@@H]3CCN(Cc4ccccc4)C3)co2)cc1 72185452 PKCZOIVVBNNXAX-HXUWFJFHSA-N 377.488 4.104 0 1 GIAF O=C(NC1CC1)c1cccc(Nc2ccc3c(c2)OCc2ccccc2C3=O)c1 95571615 SLAKDZUZHIEARV-UHFFFAOYSA-N 384.435 4.446 0 1 GIAF O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1ccccc1 96173172 OYVQUEIDYQCADD-UHFFFAOYSA-N 386.499 4.182 0 1 GIAF O=C1NC(=S)N/C1=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)s1 103224325 MIWWIWKCEXSCJY-IZZDOVSWSA-N 388.823 4.433 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cc2ccccc2n1C 167133302 ZPHZFRUOGBYSMV-DNVCBOLYSA-N 378.472 4.305 0 1 GIAF COc1cc(C(=O)O[C@H]2CC(C)=CC[C@]3(C)CC[C@](O)(C(C)C)[C@H]23)ccc1O 238738100 YEQVRBJRNFLOQJ-JVSAHFFESA-N 388.504 4.470 0 1 GIAF CC/C=C(\C)[C@H](O)[C@@H](C)/C=C(C)/C=C/C=C\C=C\C=C(/C)C(=O)N[C@H](C)CO 238745222 QGJPEZISMDKYLK-GCTRUXCOSA-N 387.564 4.398 0 1 GIAF Ic1cnc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586884162 OLHVWXHQCPTZMK-LGXCGXJNSA-N 379.245 4.030 0 1 GIAF O=[S@@](CCCc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Br)cc1 586960862 QIZNJYPUGKLXFJ-QHCPKHFHSA-N 399.260 4.344 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3c(C)nccc3[nH]1)N2 587032302 SQWFACRDUXJMFI-DELQEKLWSA-N 385.518 4.393 0 1 GIAF O=C(CCc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccc(F)cc1 587163297 OXLCGQWSJSERDB-UHFFFAOYSA-N 382.620 4.328 0 1 GIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(I)cc2[nH]1 587194836 CDBCLYONTJVSLA-NSHDSACASA-N 391.256 4.385 0 1 GIAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(O)cc2[nH]1 587231704 VBPNAENOLCOSDF-UHFFFAOYSA-N 388.427 4.158 0 1 GIAF COC(=O)c1cc2nc(-c3cccc(CN)c3)[nH]c2c(F)c1Nc1ccccc1 587246499 RNHUQFWEIHJIEK-UHFFFAOYSA-N 390.418 4.358 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC13CCN(C(=O)OC(C)(C)C)CC3)O2 587401184 UALLAOMNKKEFIM-QFIPXVFZSA-N 386.492 4.092 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cccc4c1cnn4[C@H]1CCCCO1)[C@@H](C2)C3=O 587429971 CGDRIQMDJKWHNH-YBVWCTEOSA-N 390.439 4.233 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCC(O)CC3)s1)CC2=O 587493412 GXGSJQXDNGWREL-GOSISDBHSA-N 387.501 4.074 0 1 GIAF CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1N 587577766 LOZCIPQJYGIPLE-NZQKXSOJSA-N 391.423 4.250 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccnc1 587578026 PPIWPNUEPBVATO-NZQKXSOJSA-N 384.391 4.281 0 1 GIAF Cc1[nH]c2ccc(F)c(Cl)c2c1-n1ncc(I)c1C 587631071 WOSSPDWULQHCED-UHFFFAOYSA-N 389.599 4.368 0 1 GIAF CCOc1ccc(-c2nn(CC(F)(F)F)c(=O)c3ccccc23)cc1OCC 587668356 KYJKJGCOFAKCHC-UHFFFAOYSA-N 392.377 4.423 0 1 GIAF CC(=O)Nc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587744312 ROUHUTIUNJEZNM-WYRIXSBYSA-N 391.284 4.344 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ncon3)c2)N1 587794368 MCILGSSOVKNBTO-BMLIUANNSA-N 388.240 4.262 0 1 GIAF COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC 587805921 ICFLBSOQAPTVFQ-BMLIUANNSA-N 380.257 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@]1(C)CC[C@@H]2C1(C)C 587817552 MGADWBINPZIUPX-IGQKQQENSA-N 380.301 4.343 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CCC(=O)O)cc2)N1 587829694 SGKONODNWFHHDW-WYRIXSBYSA-N 392.268 4.229 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccnc(OC)c1 587859234 TXDJRISSMFUZSU-UHFFFAOYSA-N 392.242 4.348 0 1 GIAF COC(=O)c1ccc2[nH]c(-c3ccc(C(=O)c4cccc(OC)c4)cc3)nc2c1 587930639 FHXNKABKTROWLZ-UHFFFAOYSA-N 386.407 4.256 0 1 GIAF C[C@H](CCC(=O)O)Cc1nc2c(Br)ccc(Br)c2[nH]1 587960599 KUVOAMNXUPGRDB-SSDOTTSWSA-N 390.075 4.131 0 1 GIAF NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(OCc2ccccc2)cc1 653721358 CHZAIOXTFUWBNH-DEOSSOPVSA-N 397.478 4.495 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@@H](c2cc(F)c(Cl)nc2Cl)N1)C(F)(F)F 962730156 LZYMADUDLOVHRU-NEPJUHHUSA-N 393.167 4.263 0 1 GIAF CN1C(=O)C[C@H]2CN[C@](C)(Cc3ccc(OC(F)(F)F)cc3)c3cccc1c32 963038760 ZVDAUODZORTJDB-VBKZILBWSA-N 390.405 4.096 0 1 GIAF COC(=O)c1cc(-c2ccc([C@@H]3NCCc4c(C)ccnc43)o2)ccc1Cl 963072742 NJFDUUKLMIMTMZ-FQEVSTJZSA-N 382.847 4.325 0 1 GIAF Cc1cc([C@]2(C)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)o1 963180611 QESHVWMYIGRDKV-DYVFJYSZSA-N 387.785 4.431 0 1 GIAF O=C(O)c1csc(N2N=C(c3ccccc3)[C@@H]3CC[C@@H](C(F)(F)F)C[C@@H]32)n1 1857638667 KUPZVJVBTUDADT-BZPMIXESSA-N 395.406 4.413 0 1 GIAF COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccc(Cl)cc1F 2480354 SUYVRWDRLQEEKD-UHFFFAOYSA-N 392.789 4.316 0 1 GIAF O=C1[C@H](c2ccncc2)N(CCC2=CCCCC2)C(=O)CN1C1CCCCC1 3037710 FIWLCMQMHSJMAX-QFIPXVFZSA-N 381.520 4.017 0 3 GIAF CCSc1nc(N2C[C@H](C)O[C@H](C)C2)c2cnn(/C=C\c3ccccc3)c2n1 28569867 JVEKUVQBABZCQA-XFBGYEPLSA-N 395.532 4.180 0 1 GIAF Cc1cc(OCC(=O)O[C@@H](C)P2(=O)OCC(C)(C)CO2)ccc1Cl 103173529 YWGLOBXKUFOPDF-GFCCVEGCSA-N 376.773 4.183 0 1 GIAF COc1cccc(OC(=O)c2cccnc2Nc2ccnc(C(F)(F)F)c2)c1 28527163 GKMQDVOGHRGFKP-UHFFFAOYSA-N 389.333 4.467 0 1 GIAF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@]3(C)CC[C@](O)(C(C)C)[C@H]23)cc1O 2356523513 UUXOUABMYCIFOZ-PRTQVNTJSA-N 388.504 4.470 0 1 GIAF OCc1cc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 219009481 ZPCSRBDGCVTOBE-UHFFFAOYSA-N 384.483 4.404 0 1 GIAF COc1c2c(cc3c1[C@@H]1Oc4cc5c(cc4[C@H]1CO3)OCO5)OC(C)(C)CC2 14613184 QQYQFSONAPRYKI-LRTDBIEQSA-N 382.412 4.137 0 1 GIAF biogenic O[C@H]1CCCC[C@H]1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 216340277 MYPSDLYBBIYJDD-MSOLQXFVSA-N 376.464 4.074 0 1 GIAF Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@@H]2CC[C@H](N3CCCC3)C2)cc1 45484528 RWNXKETUEWVUIP-PZJWPPBQSA-N 389.499 4.090 0 1 GIAF CCc1ccc2[nH]c(-c3ccccc3)c(C3=C(Br)C(=O)NC3=O)c2c1 40403182 ULTFANGXXIKVST-UHFFFAOYSA-N 395.256 4.160 0 1 GIAF COc1ccc([C@H]2CC3(N(C)C)CC(=O)C2[C@@H](c2ccc(OC)cc2)C3)cc1 40576574 WBXYNNSCFVZSCS-WXYTXABISA-N 379.500 4.254 0 1 GIAF Nc1ccc(-c2nnc(SCC(=O)O)n2-c2ccc(Cl)c(Cl)c2)cc1 96273184 GETMSNQMSVVVBE-UHFFFAOYSA-N 395.271 4.000 0 1 GIAF O=C(Cn1ccnc1)c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1 299830222 XGCWOEMEEDZFNM-UHFFFAOYSA-N 376.334 4.244 0 1 GIAF COc1cccc2c(Cc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12 653801660 ZKALRKQZEMLEEJ-UHFFFAOYSA-N 381.439 4.150 0 1 GIAF Cc1onc(-c2nc3nc(Cl)c[nH]c-3n2)c1COc1ccc(Cl)cc1 587076319 PLDDQTNKPXHRDK-UHFFFAOYSA-N 376.203 4.154 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(Cl)nc32)N1 587707408 VJKAKHARXPIPAA-XLFHBGCDSA-N 381.676 4.361 0 1 GIAF Cc1cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2cc1Br 586925112 FXHPXSSDYUEGGX-BQYQJAHWSA-N 377.263 4.078 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cccnc3[nH]2)c1 587050003 LLNLAIXAKCHVKG-HJWRWDBZSA-N 383.839 4.002 0 1 GIAF Cc1cccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347725 MNALEWGDFAGVRH-CVDCTZTESA-N 389.382 4.046 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2cc(F)ccc2F)N1 587719341 PSOPLRAFBJZVRZ-PWJLMRLQSA-N 384.195 4.325 0 1 GIAF O=C(O)CC[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353944 OHWFUSZWCBPWJP-RBBKRZOGSA-N 396.370 4.244 0 1 GIAF CC[C@@]1(Cc2nc3cc4c(cc3[nH]2)OCCCO4)CC(=O)c2ccccc2C1 587962150 VDVDJIJLIOONIR-QHCPKHFHSA-N 376.456 4.492 0 1 GIAF CCOc1n[nH]c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1Br 586978866 AIGROZAWVAIORD-UHFFFAOYSA-N 375.148 4.133 0 1 GIAF CCn1nc(C)c(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587700708 WCSANFMKTACMHT-AYVTZFPOSA-N 386.696 4.390 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CN(C(=O)OC(C)(C)C)C2)N1 587760231 JVJURQNWBGICOQ-MGPLVRAMSA-N 399.304 4.030 0 1 GIAF COC(=O)c1cc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)c[nH]1 586989166 ACXCPXDYNUOVDZ-UHFFFAOYSA-N 384.391 4.242 0 1 GIAF COC(=O)CC[C@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097853 ONHGAUPQAUZSQH-OAHLLOKOSA-N 387.435 4.380 0 1 GIAF CC(C)(C)OC(=O)N1C(=O)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C 587517363 LZHPTZUFGSHVHE-QHCPKHFHSA-N 399.487 4.215 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C[C@H](C)C(=O)O)(c1cccc(F)c1)CC2=O 587465732 GHFUACPISHUVND-WHEQGISXSA-N 386.419 4.455 0 1 GIAF COc1ccc2c(c1OC)[C@@H](CC1CCC1)N(C(=O)c1ccccc1N)CC2 963156204 OXNFWHQZVYSUAJ-LJQANCHMSA-N 380.488 4.216 0 1 GIAF CCN(CCCCCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1OC 1772584247 BUFPKICHFJPEEE-UHFFFAOYSA-N 394.515 4.374 0 1 GIAF CC(C)c1ccc(CN2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2=O)cc1 12307650 RHFLZPXLTUNCHC-DEOSSOPVSA-N 377.532 4.220 0 1 GIAF COc1ccc([C@@H]2C[C@@](O)(c3ccccc3)Oc3cc(OC)cc(OC)c32)cc1 13661767 JBJMFUTWUSFFQF-RDPSFJRHSA-N 392.451 4.472 0 3 GIAF O=C(CCCN1CCC(C(=O)Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 13730010 YRVVMHBYSCLKFD-UHFFFAOYSA-N 385.454 4.452 0 1 GIAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)C=CS2(=O)=O 13761425 YIYSOUVIGIPKIE-IBGZPJMESA-N 397.540 4.048 0 1 GIAF CCOC(=O)[C@H]1Oc2ccccc2C(c2cccc3ccccc23)=C1C(=O)OC 13814600 LLGQTWLHQIMWNT-QFIPXVFZSA-N 388.419 4.139 0 3 GIAF COc1ccc(/C=C/C(=O)NCCn2c(C(F)(F)F)cc3ccccc32)cc1 169347552 RBOZWBMOMNBVNB-DHZHZOJOSA-N 388.389 4.498 0 1 GIAF CC(=O)O[C@@H]1C=C(C)[C@H](OC(C)=O)CC=C(C)CC[C@@H]2[C@@H](C=CC1=O)C2(C)C 254201734 VRGIDOAPYHTMND-UGESXGAOSA-N 388.504 4.324 0 1 GIAF C[C@H](Oc1cc(=O)oc2ccccc12)C(=O)NC12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2 101549820 FPELOZBZQOVRQQ-ZNNIFPFPSA-N 395.499 4.426 0 1 GIAF O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](CC[C@@H](O)C3Cc4ccccc4C3)[C@@H]2C1 26148551 UFZMJHCRGNECQE-KGVTZQDTSA-N 398.543 4.131 0 1 GIAF N=C(CCCCc1c[nH]cn1)NCC[C@@H](c1ccc(F)cc1)c1ccccn1 26174687 FDINHVWZVYDDQK-FQEVSTJZSA-N 379.483 4.446 0 1 GIAF CC1(C)CC(=O)c2sc(N3CCOC[C@@H]3Cc3c[nH]c4ccccc34)nc2C1 40918692 UPQKAJYEZWCPJY-HNNXBMFYSA-N 395.528 4.227 0 1 GIAF COC(=O)c1ccc(C[C@@H](C)NC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1 45193521 PCVBSISVQDHZPQ-XIKOKIGWSA-N 382.287 4.034 0 1 GIAF CCN(Cc1ccccc1)C(=O)c1cnc(N(C)CC)nc1-c1ccc(F)cc1 82141769 JZSYXXDTUXQDLI-UHFFFAOYSA-N 392.478 4.401 0 1 GIAF Nc1c(C(=O)c2ccccc2C(F)(F)F)cc[n+]([O-])c1-c1ccccc1Cl 43014352 CGPHQIJTJVNKGE-UHFFFAOYSA-N 392.764 4.472 0 1 GIAF COc1ccc(-c2ccc(S(=O)(=O)N(C)c3cccc(OC)c3)cc2)cc1 96937542 FWBCDWYBDIBPOB-UHFFFAOYSA-N 383.469 4.196 0 1 GIAF CC1(C)Cc2cc(Cl)ccc2C(N[C@H](Cc2ccccc2)c2nnco2)=N1 95603291 BWOIXOCKMIWTRJ-GOSISDBHSA-N 380.879 4.378 0 1 GIAF FC(F)(F)Oc1cccc(-n2ncc3c(NCCc4ccccc4)ncnc32)c1 621477291 AJLBKWVDBQWEPX-UHFFFAOYSA-N 399.376 4.369 0 1 GIAF C[C@H](Sc1nnc(-c2ccncc2)s1)C(=O)NCc1ccccc1Cl 473100613 IKUJVQNPQYWPKC-NSHDSACASA-N 390.921 4.051 0 1 GIAF CC(=O)c1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586997086 ATBIUTOSKRXCOD-HWKANZROSA-N 385.217 4.427 0 1 GIAF c1cc(N=c2[nH]c(-c3nc4cc5c(cc4[nH]3)OCO5)cs2)c2cccnc2c1 587018392 YNCOUKCKCKAXHO-UHFFFAOYSA-N 387.424 4.129 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccc(-c2ccco2)n1 587661601 RXHDMCGIVLLLAJ-UHFFFAOYSA-N 384.370 4.242 0 1 GIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(F)c(F)cc2[nH]1 586985647 XNXZIXURSVNYNS-INIZCTEOSA-N 394.219 4.024 0 1 GIAF Oc1nc(O)c2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2n1 587140925 JIZYCDATUHQOEQ-UHFFFAOYSA-N 386.383 4.002 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(Br)n1)CC2=O 587458510 KFCQGDMESIKHSG-SFHVURJKSA-N 376.250 4.383 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nn(C(C)(C)C)cc2O)N1 587762780 FZUIROODOCXMNH-MLCYQJTMSA-N 396.304 4.043 0 1 GIAF CCCn1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587759143 SQWRSADQPDKWCI-BBATYDOGSA-N 380.305 4.301 0 1 GIAF Cc1cc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2cc1F 586999852 JJSMCLAEKPWRFX-UHFFFAOYSA-N 389.180 4.252 0 1 GIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(F)c3[nH]2)C[C@@H]2CCCC[C@H]21 586961241 QPZYOMBCQZEYEA-KYNGSXCRSA-N 399.491 4.397 0 1 GIAF Cc1cccc(NC(=O)Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c1C 587238531 CHJNFYBJGGCRJZ-UHFFFAOYSA-N 394.219 4.402 0 1 GIAF CC[C@]1(c2c(C)nn(C)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583356 VNUWVRWIPNFYLT-DENIHFKCSA-N 378.428 4.010 0 1 GIAF N=c1[nH]ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 586996960 AAAYEHNZXDIANH-UHFFFAOYSA-N 395.260 4.379 0 1 GIAF CCCCc1cc(=O)oc2cc(OCc3nc4cc5cn[nH]c5cc4[nH]3)ccc12 586918493 MNMUTIBOYVHPFL-UHFFFAOYSA-N 388.427 4.467 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccccc3c2=O)N1 587844307 XDMUPPDWCGBSNB-YPMLDQLKSA-N 388.236 4.318 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(NC(=O)CC)cc1 587871005 WWIXYPBRRQOTEV-UHFFFAOYSA-N 381.407 4.125 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cc(N4CCC(C)CC4)ccc1N)[C@@H](C2)C3=O 587438293 OIWRLLKNBVYHMN-YADARESESA-N 392.499 4.177 0 1 GIAF C[C@@]1(c2nc3ccc(Br)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173378 ZGSPDTGSQMVQIC-KRWDZBQOSA-N 375.197 4.093 0 1 GIAF Cc1ccc2c3c(cc(-c4cccc(-n5cnnn5)c4)nc13)-c1ccccc1C2=O 587097876 QIVPPNYJYVTNIT-UHFFFAOYSA-N 389.418 4.397 0 1 GIAF CC(=O)C[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587733673 RRCZLGNCMUDLNO-WLRWDXFRSA-N 394.259 4.484 0 1 GIAF NC(=O)N1CCc2sccc2[C@@]12CC(=O)C[C@@H](c1c(F)cccc1Cl)C2 962717588 ULRFGNPTGWPTOR-NSPYISDASA-N 392.883 4.210 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1sc(-c2cccnc2)nc1C 963603983 CUSVEPURGURAEQ-WHEQGISXSA-N 395.528 4.328 0 1 GIAF Oc1noc(C2CCNCC2)c1Cc1ccc2ccccc2c1Br 13607799 IJEBTMRUVIYYSA-UHFFFAOYSA-N 387.277 4.354 0 1 GIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2occc2[C@H]1CN1CCCC1 13737720 NZBGPQIBCIBEQA-GOSISDBHSA-N 393.314 4.351 0 1 GIAF C[C@H]1[C@@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@H]1N1CCCCC1)OCO3 17250806 BZKPASBEIZXLFA-AETJINEWSA-N 395.455 4.116 0 1 GIAF CCCCN(C=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169366511 CHFVUVDSWHAXBF-CTXXSDHQSA-N 388.596 4.477 0 1 GIAF O[C@H](c1cc(-c2ccc(C(F)(F)F)nc2)nc2ccccc12)[C@@H]1CCCCN1 1857558524 BAAJOCIWUSXEAI-FXAWDEMLSA-N 387.405 4.491 0 1 GIAF CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2cccs2)N2C(=N1)Nc1ccccc12 1857605411 KQAIFFOXWIJWFZ-OAHLLOKOSA-N 393.390 4.470 0 1 GIAF CC(C)C(=O)Nc1sc2c(c1C(=O)c1ccccc1Cl)CCN(C)C2 13442727 KKDORYDQHXAFSV-UHFFFAOYSA-N 376.909 4.215 0 1 GIAF c1cnn(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)n1 14949266 NMDXBIIYGMMZCL-UHFFFAOYSA-N 397.486 4.278 0 1 GIAF COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 34524836 WMJUBLFKLAMLHS-YADHBBJMSA-N 375.424 4.239 0 1 GIAF Cc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)ccn1 73298761 FIGXXWOOZXCOOF-UHFFFAOYSA-N 377.492 4.048 0 1 GIAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F 82150728 FSIDJOFCUKTZSW-BEFAXECRSA-N 382.483 4.191 0 1 GIAF Cc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3C[C@H]2CCCO2)cc1 82179209 YLSOFVZRDKFFKR-GOSISDBHSA-N 389.459 4.186 0 1 GIAF Cc1cc(NC(=O)CC(=O)O)c2c(c1Cc1ccc(O)c(C(C)C)c1)CCC2 84707732 OBCTYXFEJVMWDM-UHFFFAOYSA-N 381.472 4.317 0 1 GIAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)Cc4ccccc4)C[C@@H]2N3)cc1 100101758 VTJAYLXZDXRGAH-OCYIUTNCSA-N 382.507 4.171 0 1 GIAF O=S(=O)(CC[C@](F)(Cl)C(F)(F)Cl)c1nc2ccccc2s1 299861449 LKTCTEGINIIJSQ-SNVBAGLBSA-N 378.224 4.196 0 1 GIAF COc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)cn1 473110373 VSGDXAGRZCZXQL-UHFFFAOYSA-N 375.375 4.442 0 1 GIAF CCn1cc(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)cn1 473179119 ZTKDFCKKQLEJNQ-UHFFFAOYSA-N 392.438 4.024 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586917529 SVZQRIGUOIGIGP-OVWNDWIMSA-N 378.325 4.336 0 1 GIAF Cc1c(Br)ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 587033933 CPRVVWPVIZYINZ-UHFFFAOYSA-N 390.306 4.114 0 1 GIAF Oc1ccccc1-c1cc(-c2nc3c(O)ncnc3[nH]2)c2cccc(Cl)c2n1 587081960 ACBSUXUCUOSPQP-UHFFFAOYSA-N 389.802 4.300 0 1 GIAF CCC(=O)[C@H](C(=O)OC)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587097653 NEBQHIMRBIUSTK-FQEVSTJZSA-N 387.435 4.299 0 1 GIAF CCOC(=O)[C@@H](F)[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587104057 QTLVSLFKZDMOTE-DMZKTXOQSA-N 389.426 4.452 0 1 GIAF Cc1c(Br)cnc2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc12 587165570 ZYKVEQNQLCYOBM-UHFFFAOYSA-N 386.228 4.080 0 1 GIAF Fc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc(N2CCCC2)n1 587177431 JANXISFSNGVUEV-UHFFFAOYSA-N 397.198 4.405 0 1 GIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587201185 JFFWVLHKBBDCQQ-UHFFFAOYSA-N 397.422 4.465 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(C[C@@H]3C[C@@H](C(=O)O)C[C@@H]3C2)[C@@H]1c1ccc(F)cc1 587347370 AKAUYNOCYFRQDW-OHMKOUMZSA-N 396.414 4.150 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)cc(Br)c(F)c1F)O2 587381668 LBFCHBCHNOMCER-GFCCVEGCSA-N 386.167 4.464 0 1 GIAF C[C@]1(COc2cccc(C=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596282 QNOADZUXOBHHJW-NZQKXSOJSA-N 390.391 4.004 0 1 GIAF O=C(c1cc(F)ccc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659219 YXEZCBDMDCSFRH-UHFFFAOYSA-N 380.325 4.169 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(C(F)(F)F)N1 587708649 CRSDHFJJQXJRIW-VFZGTOFNSA-N 389.190 4.323 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2N(C)C)N1 587753502 HJYPTIXIRDRQPH-BLVKFPJESA-N 377.301 4.452 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](c3ccnn3C)C2)N1 587759783 MURYJVXOSVKMES-QHRIQVFBSA-N 392.316 4.409 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3nnco3)cc2)N1 587795376 OHYQOOLRAXGWMN-DYZYQPBXSA-N 388.240 4.262 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ccc(O)cc23)N1 587806834 WDFZKSIDJOLHMG-DYBLOJMWSA-N 375.241 4.399 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccccc1OC 587870390 GSKAZBWOJCKVQU-AWEZNQCLSA-N 384.407 4.204 0 1 GIAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cc3ccccc3c(C=O)c1Cl)NCC2 962924427 KAMFQHKUUAAJHK-QFIPXVFZSA-N 392.886 4.243 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(C(=O)O)=CN(C)c1c(C)cccc12 962941319 DPAZTXIYROYHQF-MYYSRTQBSA-N 387.483 4.063 0 1 GIAF CCOC(=O)c1csc(-c2csc(-c3csc([C@@H](N)C(C)C)n3)n2)n1 1772648550 CNMSDKKARCIHKG-LBPRGKRZSA-N 394.547 4.223 0 1 GIAF CNC[C@H](C)OC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1 1857646939 NGSXICFLYJDDKB-SFHVURJKSA-N 399.531 4.253 0 1 GIAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356325838 RLBHLWLYTAOVCJ-ZCNNSNEGSA-N 394.519 4.055 0 1 GIAF CC(C)=CCC[C@@](C)(O)[C@@H](O)CCC(C)=CCc1cc(C(=O)O)ccc1O 2356484857 JXAFVRIAOQJYNY-RBBKRZOGSA-N 376.493 4.218 0 1 GIAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC4=O)[C@H](OC(C)=O)C[C@H]12 2356784072 NCSYZCFTTYSTDM-DERVCWAASA-N 390.520 4.073 0 1 GIAF C[C@H](NC(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1)c1ccncn1 12224961 SGVZVWIKDYOWOV-ZDUSSCGKSA-N 392.846 4.353 0 3 GIAF COc1ccc([C@H]2C=CCN(CC3CC3)CC(=O)N2Cc2ccc(F)cc2)cc1 18176713 YFMFCAMAWSFOKK-HSZRJFAPSA-N 394.490 4.186 0 3 GIAF O=C(c1cc(COc2ccc(F)cc2F)on1)N1C[C@H]2C[C@H]3C[C@H]1C[C@H](C3)C2 263591720 NFXVLWUUGQPLGU-FXDBZKHDSA-N 388.414 4.183 0 3 GIAF CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)N[C@@H]1CCCC[C@@H]1O 775618 OITOAASEOFPTFR-CABCVRRESA-N 394.874 4.465 0 1 GIAF CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccs2)[C@H]1c1cccs1 2455938 JDXKXJACMISRID-QZTJIDSGSA-N 382.510 4.037 0 1 GIAF Fc1cc(C2=C[C@H](c3ccc4c(c3)OCO4)NC(=S)N2)c(Cl)cc1Cl 6567548 WRYGXESUOVZTCZ-CYBMUJFWSA-N 397.258 4.421 0 1 GIAF COC(=O)[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@@H]1O2 26579393 IXQQMWIAXLMOHP-FUMNGEBKSA-N 388.410 4.180 0 1 GIAF CC[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27561878 FCZXMKQGPJNSOM-FQEVSTJZSA-N 380.488 4.185 0 1 GIAF CC(C)c1cc(NCc2ccccc2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29131808 GQBWBPSOFIBIHQ-UHFFFAOYSA-N 381.501 4.283 0 1 GIAF COc1ccc(NC(=O)Nc2ccc(F)c(F)c2)cc1-c1c(F)cnn1C 35878184 IQZBUIXIRRPSOX-UHFFFAOYSA-N 376.338 4.157 0 1 GIAF CN(C(=O)c1ccc(OC(F)(F)F)cc1)c1nc(-c2ccncc2)cs1 45290837 SSRKNFYHFNHSFG-UHFFFAOYSA-N 379.363 4.380 0 1 GIAF CCC1CCC(Oc2ccc3c(C)c(N4CCN(C)CC4)c(=O)oc3c2)CC1 45393770 GCHCDLAJHUZBCL-UHFFFAOYSA-N 384.520 4.201 0 1 GIAF CCOC(=O)c1cc(-c2sc(-c3cccnc3)nc2N2CCC(C)CC2)n[nH]1 49112609 RDYRKYIFKVXFQA-UHFFFAOYSA-N 397.504 4.008 0 1 GIAF Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(C4CC4)nn3)CN2CC2CCCCC2)cc1 72140770 QFKTVSIMNBHXAU-VXNXHJTFSA-N 394.563 4.393 0 1 GIAF CCCc1nc2c(NCc3cccc(Cl)c3)ncnc2n1C[C@@H]1CCCO1 82181357 QUQWVVALMHGXLS-INIZCTEOSA-N 385.899 4.223 0 1 GIAF CCN1CCN(CCOc2ccccc2)[C@H]2CCn3c(c(C)c4ccccc43)[C@@H]21 96902340 DQXJJEZPKISUDR-UKILVPOCSA-N 389.543 4.480 0 1 GIAF CN1[C@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1C[C@@H]2C(=O)O 100881234 RFSBZRWCRLFPFN-YRPNKDGESA-N 387.426 4.007 0 1 GIAF CCCCCCN1C[C@H]2[C@@H](C1)[C@@]2(c1cccc(NS(C)(=O)=O)c1)C(C)C 102948637 CKBZRYWPXUWECL-AERCQKQUSA-N 378.582 4.094 0 1 GIAF Cc1nc(CCc2cccc(Oc3ccccc3)c2)c(C(=O)O)c(C(=O)O)c1O 103242004 HNVUMYGVMBZFFX-UHFFFAOYSA-N 393.395 4.070 0 1 GIAF COc1ccc(-c2cccc3c2N(S(=O)(=O)c2ccc(OC)cc2)CC3)cc1 114319849 MKPOOXRXNRCNPU-UHFFFAOYSA-N 395.480 4.122 0 1 GIAF Cc1cc2[nH]c(CSc3nncn3-c3ccc(C)c(Cl)c3)nc2c(C)n1 586968710 VAMLFIHSXFNWKJ-UHFFFAOYSA-N 384.896 4.410 0 1 GIAF Clc1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586969904 PXQLCUAKVXPWCY-UHFFFAOYSA-N 386.820 4.287 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cc(F)cc(F)c2[nH]1)c1ccc(Br)cc1 586984724 IHKZEFVFLRAZGN-AWEZNQCLSA-N 394.219 4.024 0 1 GIAF Cc1ccc2c3c(cc(-c4ccc(O)c(C(N)=O)c4)nc13)-c1ccccc1C2=O 586996026 LVQVJLFKVBDZKA-UHFFFAOYSA-N 380.403 4.226 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(OC(C)C)cc4[nH]3)cc12 587038096 QKEJUEYJLDPOPG-GFCCVEGCSA-N 397.504 4.098 0 1 GIAF Sc1nc(S)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2n1 587083252 KXGRYIYUECKUEJ-UHFFFAOYSA-N 380.285 4.452 0 1 GIAF CCOc1cc(/C=C/c2nc3c(S)nc(S)nc3[nH]2)ccc1OC(F)F 587130935 RJZJPLKNGGQOOT-GQCTYLIASA-N 396.444 4.101 0 1 GIAF Ic1cccc(/C=C\c2nc3cc4c(cc3[nH]2)OCO4)c1 587184337 QZDAEKZOARURPD-PLNGDYQASA-N 390.180 4.067 0 1 GIAF O=NCc1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1 587191392 ZMRKITHFAQKGPM-UHFFFAOYSA-N 396.042 4.416 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn(CCN)c3ccccc13)CC2=O 587479446 ZPDTULNJOWCYPH-HSZRJFAPSA-N 378.472 4.139 0 1 GIAF O=C(O)CSC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531922 JWPZIRVCPYJIQB-JOCHJYFZSA-N 382.481 4.244 0 1 GIAF CCC[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596898 PTZKTGACBIOTRY-FXCLAUTBSA-N 384.428 4.092 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccn(C)c2)(C(F)(F)F)N1 587708282 ARDPKOQVCUJULI-BJOHPYRUSA-N 391.206 4.267 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nn(C(C)(C)C)cc2O)N1 587763753 LZTDLGCPRZFUBS-MLCYQJTMSA-N 396.304 4.043 0 1 GIAF CCC[C@H](C)OC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793346 NPRXEKIEIOMDRU-OAVHHTNSSA-N 386.305 4.460 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccccc3)no2)N1 587794544 NBCFHBDICOIPSM-MGPLVRAMSA-N 388.240 4.262 0 1 GIAF CC[C@]1(c2ccc(O)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587808185 PLRVPWUMFIAZAU-NSPYISDASA-N 394.284 4.490 0 1 GIAF CC[C@]1(C2(C(=O)OC)CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810127 TZIFGVXXBXIDRV-VOJFVSQTSA-N 384.289 4.071 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2OCCCO3)N1 587835231 OLUJXVDOEVOMRX-ADLMAVQZSA-N 392.268 4.373 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C3(C)COC3)cc2)N1 587836907 YNJRIAUQCPPXLD-CWTRNNRKSA-N 390.296 4.500 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cccs2)N1 587848899 POIUUBQCCOUFJM-BTDLBPIBSA-N 398.297 4.292 0 1 GIAF COc1nc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587852630 MJVYRVFQFZFDNT-KSBSHMNSSA-N 391.693 4.330 0 1 GIAF Cc1nc(N(C)C)sc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587854916 UNJAVGOKUPWRHC-XLKFXECMSA-N 384.318 4.043 0 1 GIAF COc1ccc(C[C@@H](C)c2nc3ccc(Br)c(O)c3[nH]2)cc1OC 587925644 FTBIUYDHBUBJFM-SNVBAGLBSA-N 391.265 4.394 0 1 GIAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(O)ncnc2[nH]1 587948911 LMUJDLZHMINEDE-JKIFEVAISA-N 394.475 4.343 0 1 GIAF COc1ccc(-c2cc([C@H]3c4cc(OC)c(OC)cc4C[C@H](C)N3C)on2)cc1 962641833 XUUFSXRXCYXVOS-LFVRLGFBSA-N 394.471 4.333 0 1 GIAF COc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1-c1cn[nH]c1 1772585460 LIUKLYUNBUVVON-UHFFFAOYSA-N 376.243 4.322 0 1 GIAF Cc1cccc(C2=NN(C(=O)Cc3ccc(Cl)cc3)[C@@](O)(C(F)(F)F)C2)c1 1857638164 XVCQYLVMIYHESG-SFHVURJKSA-N 396.796 4.078 0 1 GIAF COc1ccc(N2C(=O)CN([C@@H](C)c3ccc(F)cc3)C2=S)cc1Cl 1857646219 QAWKHBQUTZUDDX-NSHDSACASA-N 378.856 4.182 0 1 GIAF CCC=C(C)Cc1c(O)ccc([C@H]2COc3cc(O)cc(O)c3C2=O)c1OCC 2356352917 DPDHIKPNCJBMFF-QGZVFWFLSA-N 398.455 4.460 0 1 GIAF Cc1ccccc1-n1ncc([C@@H](C)NS(=O)(=O)c2ccccc2Cl)c1C 12314353 DSKAAHOXNMSCJM-CQSZACIVSA-N 389.908 4.182 0 3 GIAF CC[C@@H](CO)Oc1cc(NC(=O)c2ccccc2F)c2ncn(C(C)C)c2c1 61949054 QEVWSYHXOACUCN-AWEZNQCLSA-N 385.439 4.158 0 3 GIAF CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)N[C@@H]1CCCC[C@@H]1O 775579 RKBORZBACQSOJN-CABCVRRESA-N 394.874 4.465 0 1 GIAF O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(F)ccc21 11536159 MZZSMPKRYXXFET-UHFFFAOYSA-N 394.349 4.483 0 1 GIAF O=C(O)CN1CN(Cc2ccc(Cl)c(Cl)c2)C(=O)c2cc(Cl)ccc21 13649904 PDLYAVLCROYZAY-UHFFFAOYSA-N 399.661 4.151 0 1 GIAF CCN1CCN(C(=O)c2cn3c4c(cccc24)CC[C@H]3C2CCCCC2)CC1 13983276 AHQOXZVRRWNEIC-QFIPXVFZSA-N 379.548 4.487 0 1 GIAF O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccs2)ccc1=O 25434739 YTFSITDNQSOENL-WBVHZDCISA-N 382.529 4.103 0 1 GIAF biogenic O=C(O)c1cc(NC=S)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 33821298 KDFRZGWCOSXMPY-UHFFFAOYSA-N 391.404 4.338 0 1 GIAF in-vitro Cc1cc2c(s1)c1cnn(Cc3cccc(Br)c3)c(=O)c1n2C 36380371 LLBASQHBOMQQNI-UHFFFAOYSA-N 388.290 4.069 0 1 GIAF COc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1 40431353 FGBQFJLSTBVWPE-JOCHJYFZSA-N 375.472 4.407 0 1 GIAF COc1ccccc1Cn1c(Cc2ccccc2)c(Cl)nc(Cl)c1=O 43011139 MCWSKADCVYSDTP-UHFFFAOYSA-N 375.255 4.198 0 1 GIAF COC(=O)c1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(Cl)c2Cl)cc1 45324830 HIIZCRRNCSZKGL-SJKOYZFVSA-N 382.287 4.034 0 1 GIAF Oc1cc(CN2CCCCC2)nc2c(-c3ccccc3)c(C(F)(F)F)nn12 66124252 HPFIMBOALSGEOJ-UHFFFAOYSA-N 376.382 4.107 0 1 GIAF CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(OC(F)(F)F)cc3)nc2c1 95598392 PGEASJYTOKYMDD-UHFFFAOYSA-N 386.351 4.047 0 1 GIAF NC[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 100419939 PYQLLIPYNDWNOP-HJGJAMNPSA-N 399.890 4.436 0 1 GIAF CCCC[C@](C)(O)CCC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 143631187 BDCSFODRIDLUQN-DBQGFPOUSA-N 384.557 4.178 0 1 GIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cnn(-c2ccccc2)c1 166976463 LMMPJOIAPQATRY-IBGZPJMESA-N 391.471 4.143 0 1 GIAF CCCCC(C)(C)[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 169373301 MZFSUBMVKUYQSC-SUHPVVGASA-N 392.536 4.102 0 1 GIAF CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2)C[C@H]3C)n1 169702306 QVORYOYBXKGHSN-CQSZACIVSA-N 385.475 4.164 0 1 GIAF CC(C)=CCC/C(C)=C\CC[C@]1(C)Oc2c(c(O)cc3c2CNC3=O)C[C@@H]1O 238787811 XGUHYRYUXUVLOK-GWMDWTOGSA-N 385.504 4.163 0 1 GIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C)cc(C)c2[nH]1 586983773 CDEYDZLPIJXBRV-KRWDZBQOSA-N 386.293 4.362 0 1 GIAF CC(C)(C)OC(=O)NCCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988999 VSSCNQJGSSPYNQ-UHFFFAOYSA-N 390.439 4.219 0 1 GIAF CCO/C=C(/C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992694 SDNJUWGVYZLOHL-FOWTUZBSSA-N 389.407 4.092 0 1 GIAF Cc1cnc(Cl)c2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc12 587198889 UYLXOJLJMYJNRX-UHFFFAOYSA-N 391.862 4.446 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(COCc3ccccc32)[C@H]1c1ccc(F)cc1 587356605 KKCOAXLXZTZPBL-JTHBVZDNSA-N 376.383 4.316 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)F)c(OC(F)F)c1)O2 587383527 SOMYIWQZYDIWSK-CQSZACIVSA-N 385.313 4.487 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1CCC[C@@H](C(=O)O)C1)O2 587408119 MPEBOLGVCSYVPC-DLYSWHJUSA-N 379.456 4.329 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc4cc(Br)ccc4n1)[C@@H](C2)C3=O 587417553 LUFXVGFFVOOUPH-VBKZILBWSA-N 396.240 4.495 0 1 GIAF CC[C@@]1(CC(=O)O)Cc2ccccc2[C@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587446163 AIILESOHFUWICK-DKLXNKCPSA-N 392.451 4.155 0 1 GIAF CC(C)(C)OC(=O)[C@]1(C2=COCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587534933 HBRQMHTZKCSICD-HSZRJFAPSA-N 384.472 4.305 0 1 GIAF Cc1ccc(OC(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587553568 FUPGXIZZFJXYCS-OXQOHEQNSA-N 399.349 4.400 0 1 GIAF CN1CCC[C@@H]1[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581379 HGBWANQOFNQSNV-WQNDALKBSA-N 393.483 4.377 0 1 GIAF Cc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCCO2 587606841 FGSRFXXPPILYNM-NFBKMPQASA-N 390.391 4.175 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2COC3(CCCCC3)O2)N1 587839328 FMOLLZOVOCUDGX-YMRXKLBXSA-N 384.289 4.239 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(CC(=O)O)cs2)N1 587848302 NNRVSGYTVFCGGV-XYZCENFISA-N 398.297 4.075 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2scc3c2OCCO3)N1 587849534 ALZYWEPXINYJHC-RTHLEPHNSA-N 384.270 4.045 0 1 GIAF COc1ccc2c(c1)[C@@H](c1cccc(OC)c1OCCN(C)C)N(C(C)C)CC2 962096592 YTKVHTUURBGDHG-HSZRJFAPSA-N 398.547 4.000 0 1 GIAF Cc1cc(C)c([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cn1 963180334 PWLFEMNDKGRSHD-CVEARBPZSA-N 384.785 4.059 0 1 GIAF COc1ccc(NC(=O)Nc2ccc3nc(-c4ccccc4)nn3c2)cc1OC 1188768844 IUEQDZVAAYVIQO-UHFFFAOYSA-N 389.415 4.058 0 1 GIAF COc1ccc(Cl)cc1-c1cc(F)cc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772612787 VLWBKCORBNZRIC-INIZCTEOSA-N 390.798 4.453 0 1 GIAF COc1c(OCC=C(C)C[C@@H](C=C(C)C)OC(C)=O)ccc2ccc(=O)oc12 2356389020 CSEHFWRYAPKMKF-GOSISDBHSA-N 386.444 4.415 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@@]43C)[C@H]1CCC2=O 2356731640 UQHKLJJUIGLUKP-WWPZZTDOSA-N 388.504 4.295 0 1 GIAF COc1ccccc1CN1Cc2ccccc2Oc2ccccc2S1(=O)=O 96021185 TVMBSKVWTUWJDW-UHFFFAOYSA-N 381.453 4.192 0 3 GIAF Cc1sc(C(=O)Nc2ccccc2)c2c1C(=O)N[C@](C)(c1cccs1)N2 2501966 SMPJIVOFJQVTAG-LJQANCHMSA-N 383.498 4.399 0 1 GIAF C=CCN(C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1)c1ccccc1 7097014 QKAJCJBRZPOTMT-UHFFFAOYSA-N 399.446 4.294 0 1 GIAF biogenic O=C1NC(=O)N(Cc2cccc(Cl)c2)CCN1Cc1cccc(Cl)c1 13652001 GVEYKVQNXMJQFH-UHFFFAOYSA-N 378.259 4.141 0 1 GIAF CC(C)=CCC[C@@](C)(O)[C@H](O)CC/C(C)=C/Cc1cc(C(=O)O)ccc1O 14511577 JXAFVRIAOQJYNY-KQCYKBMJSA-N 376.493 4.218 0 1 GIAF CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccccc1Cl 26576802 NVLFDWLIOVSYAF-SXWSKBOKSA-N 382.869 4.405 0 1 GIAF COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C(F)(F)F)cc1)CC3 26643666 APSWOEYPVXOOHK-UHFFFAOYSA-N 389.373 4.379 0 1 GIAF OC[C@H]1C[C@@H](Cn2cnc3c(-c4ccc(Cl)cc4)ncnc32)c2ccccc21 28637046 NXQNZMJAUHUOQW-JKSUJKDBSA-N 390.874 4.410 0 1 GIAF Brc1ccc([C@@H]2CO[C@](Cn3ccnc3)(c3ccccc3)O2)cc1 28768656 PKKSVUFZENJNBX-OALUTQOASA-N 385.261 4.287 0 1 GIAF CC(C)c1cc(Nc2ccnc(NCc3cc(-c4ccccc4)no3)n2)[nH]n1 35907076 XMBRWAUBBVRCKX-UHFFFAOYSA-N 375.436 4.334 0 1 GIAF O=C(NCC1CC1)C1CCN([C@H](c2ccccc2)c2cc(F)cc(F)c2)CC1 45303194 SMFUERLHGJOQFM-JOCHJYFZSA-N 384.470 4.292 0 1 GIAF COc1ccccc1-c1csc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 82192402 SENONEPMXRVXJO-SFHVURJKSA-N 385.533 4.236 0 1 GIAF O=C(O)c1cc(-c2cc3ccccc3s2)nc2c1cnn2Cc1ccncc1 95585339 QOFACKVAGOBCMY-UHFFFAOYSA-N 386.436 4.455 0 1 GIAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(c3nc(CC)cs3)[C@@H]2CNC(C)C)cc1 95895996 JGSPVHKLUFJULS-NLOXLPDLSA-N 385.577 4.070 0 1 GIAF O[C@]1(c2ccc(-c3ccc(Br)s3)cc2)CN2CCCC[C@H]2CO1 100059795 NQOYZHHHGSRJGT-MAUKXSAKSA-N 394.334 4.207 0 1 GIAF in-vitro CCOC(=O)CCCc1nnc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)[nH]1 166650487 RMXNPGMELKBDEO-UHFFFAOYSA-N 393.422 4.040 0 1 GIAF C[C@@H]1CCCN(C(=O)CSC[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1 198918012 GOCKZFNRKPOAGC-YVWKXTFCSA-N 395.012 4.367 0 1 GIAF in-vivo O[C@H]1CCCC[C@@H]1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 216340325 MYPSDLYBBIYJDD-ROUUACIJSA-N 376.464 4.074 0 1 GIAF CN1CCN(c2ccc3nc(-c4ccccc4-c4ccc(O)cc4)[nH]c3c2)CC1 586899475 YHRGEDVYOUWEQL-UHFFFAOYSA-N 384.483 4.354 0 1 GIAF COC(=O)c1cccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 586901664 WEKGHGIGQBFIMB-UHFFFAOYSA-N 376.368 4.001 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586987137 JZJYXTTYZNPCGM-OAHLLOKOSA-N 388.423 4.274 0 1 GIAF COC(=O)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c2n1 587139790 WOYZXNSGHVRZEH-UHFFFAOYSA-N 389.386 4.420 0 1 GIAF CCCc1nc(-c2nc3cc4c(cc3[nH]2)OCCCO4)nn1-c1ccccc1F 587155596 MSADRKVGSHGYPI-UHFFFAOYSA-N 393.422 4.064 0 1 GIAF CC(C)=CC[C@H]1C(=O)c2ccccc2[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O 587407296 ZONFRIOMDSMOKJ-UPCLLVRISA-N 389.451 4.176 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)cnc1Cl)[C@@H](C2)C3=O 587417397 KBNIFEBIAOMSTJ-APPDUMDISA-N 394.652 4.169 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(S(=O)(=O)C(C)C)c1)CC2=O 587488887 SDFLEGZUBXMOSK-HXUWFJFHSA-N 388.485 4.233 0 1 GIAF COc1ccccc1[C@@]1(CNC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587512684 OEPAWYOZVQNOAD-DEOSSOPVSA-N 379.500 4.433 0 1 GIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1O 587547965 VPLSGQQLBWBTEC-GHTZIAJQSA-N 398.798 4.463 0 1 GIAF CC(C)NC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756941 SMSQLEOUJJRITC-VBKZILBWSA-N 391.328 4.364 0 1 GIAF Cc1ccc2nc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cn2c1 587775498 RDBNJNXMUWFLGS-HXPMCKFVSA-N 388.284 4.342 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3n[nH]cc32)N1 587799153 WRRAQDQGZGTBDM-MLCYQJTMSA-N 378.289 4.062 0 1 GIAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587806520 JRRFDYPRODSKSI-YPMLDQLKSA-N 380.257 4.229 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587819578 BFTCQPQQBTXCEJ-GCWNUHMSSA-N 382.317 4.135 0 1 GIAF C[C@H](O)[C@]1(c2cccc(Cl)c2)c2ccsc2CCN1Cc1cccn1C 962376239 VAGFUWOTGAAZEK-BTYIYWSLSA-N 386.948 4.423 0 1 GIAF Oc1ccc2c(c1)[C@](c1cc(F)ccc1Br)(C(F)(F)F)NCC2 963340385 GUDLFEUFDUYMPT-HNNXBMFYSA-N 390.174 4.245 0 1 GIAF COC(=O)c1ccc(COc2cccc(-c3nc(O)c4ccccc4n3)c2)cc1 1772605651 UTLQKSQQKMAPNY-UHFFFAOYSA-N 386.407 4.368 0 1 GIAF CC(=O)O[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](O)CC[C@H]32)C1 2356320385 CQNXXURIGGLIOE-NUDIJZITSA-N 376.537 4.281 0 1 GIAF COC(=O)[C@@H]1CC[C@@H]2[C@]3(C)CCCC(C)(C)[C@@H]3C[C@H](OC(C)=O)[C@]23C=NC[C@@H]13 2356579978 JMTFDESUPHRFIQ-RKKMCVEISA-N 389.536 4.041 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)CC[C@H](O)[C@](C)(O)[C@H]2[C@H]1OC(=O)C=Cc1ccccc1 2356627963 BYIDNKQJXAGYPI-NUQKRPODSA-N 386.532 4.206 0 1 GIAF COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 36384265 FUHHHUPABGCFJO-PZJWPPBQSA-N 390.483 4.219 0 3 GIAF O=C(NCCc1ccccc1)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61929511 DJXAXZONGMZUIO-HXUWFJFHSA-N 378.859 4.064 0 3 GIAF Fc1ccc(-c2nnc(Cn3c(CN4CCCCC4)nc4ccccc43)o2)cc1 1911586175 YAXHUWQGNUAREZ-UHFFFAOYSA-N 391.450 4.260 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356308321 LNOFKAWCANXKAC-SYSXUHNUSA-N 390.564 4.254 0 1 GIAF Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1cc(F)ccc1F 59150504 CJRAZMFOLJTMDW-UHFFFAOYSA-N 394.377 4.330 0 1 GIAF COc1cccc(CNc2nc3cc(-c4ccc(F)cc4)sc3c(=O)n2C)c1 61902182 NRLKKYWHMRXARS-UHFFFAOYSA-N 395.459 4.422 0 3 GIAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)Nc2ccccc2)O3)cc1 61903047 VPDILORZPBSYJA-QHCPKHFHSA-N 387.439 4.039 0 3 GIAF COc1cc(/C=C/c2nc3cc(Cl)ccc3c(=O)[nH]2)ccc1-n1cnc(C)c1 66251333 VVUQQLRXQSHPIF-XBXARRHUSA-N 392.846 4.250 0 1 GIAF CC(=O)OC[C@]1(C)[C@H](O)CC[C@]2(C)[C@@H](CCC(C)=CC(=O)O)C(C)=CC[C@@H]12 2356682975 CBLDNPFHFIUPAK-UWRIJYQHSA-N 378.509 4.110 0 1 GIAF COc1cc(Cl)ccc1O[C@@]1(C)CCN(Cc2cccc(OC)c2OC)C1 61927074 HYUHLUNMVFGYNI-NRFANRHFSA-N 391.895 4.409 0 3 GIAF CCCCN/C=C1\N=C2CN=C(c3ccccc3)c3cc(Cl)ccc3N2C1=O 138413201 ZMIKFPCELFQENZ-AQTBWJFISA-N 392.890 4.167 0 1 GIAF FC(F)(F)COc1ccc([C@@H]2C[C@H]2c2nnc3c4ccccc4cnn23)cc1 49113009 DWGMSHVRETUTKL-DLBZAZTESA-N 384.361 4.490 0 1 GIAF CC(C)(C)c1ccc(Cn2cc(COc3ccc4c(=O)ccoc4c3)nn2)cc1 84706981 NYCKMDKCPUSASG-UHFFFAOYSA-N 389.455 4.309 0 1 GIAF CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 95578627 DWQSNRURQWAIAX-OAQYLSRUSA-N 396.918 4.410 0 1 GIAF COC(OC)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)OCc1ccccc1 95553319 MLNZNKQFIRCUPF-HXUWFJFHSA-N 380.444 4.023 0 1 GIAF CCS(=O)(=O)N(Cc1cncc(-c2cccc(Cl)c2Cl)c1)C1CC1 299825444 KDYIJMWVVGULGH-UHFFFAOYSA-N 385.316 4.370 0 1 GIAF CC(=O)Nc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587741371 GXFLVIJCOXXXGM-YPMLDQLKSA-N 377.257 4.170 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C(=O)O)C(C)(C)[C@H]2C)N1 587828158 RYDDFCPZLAUHPK-IZYWVTPHSA-N 398.316 4.475 0 1 GIAF O=C1CCC(c2ccccc2)(c2nc3ccc(Br)c(O)c3[nH]2)CC1 587969941 CJDGVRBYJNNCIA-UHFFFAOYSA-N 385.261 4.460 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(I)s1)O2 587385686 FYJBOIRSZPEUSU-HNNXBMFYSA-N 399.253 4.124 0 1 GIAF Cc1ccc2c3c(cc(Cc4ncccc4C(=O)O)nc13)-c1ccccc1C2=O 587098448 VEPWYONWWXOCOP-UHFFFAOYSA-N 380.403 4.439 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587192533 VEKDWRLINPWQAP-ROUUACIJSA-N 395.463 4.243 0 1 GIAF CCOC(=O)C1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 587798984 QQFBQHIIYUKSKA-GTNSWQLSSA-N 384.289 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CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)cccc1OCCOC)CC2=O 587464830 ARNOBNHNZIJWKC-JOCHJYFZSA-N 388.435 4.390 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C=O)cc4)cc1O)[C@@H](C2)C3=O 587448256 BRHMLLOZYGFIIA-YADARESESA-N 386.403 4.369 0 1 GIAF CCCCCC(=O)C[C@@]1(C)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962708363 YXZUUMJYOGQOJJ-FUHWJXTLSA-N 389.389 4.198 0 1 GIAF Nc1nc(Cl)c2c(Cc3ccccc3)cn(Cc3ccc4c(c3)OCO4)c2n1 1772573255 PJIOLXZYTWVIKB-UHFFFAOYSA-N 392.846 4.035 0 1 GIAF Cc1cc(C)nc(SCC(=O)Nc2cccc(NCc3ccccc3)c2)n1 1772578356 JBKQPHSENHCRGZ-UHFFFAOYSA-N 378.501 4.436 0 1 GIAF C[C@H]1Oc2c(cc(C(=O)Nc3nccs3)c3c2C=CC(C)(C)O3)C(=O)[C@@H]1C 1772637764 BVDMOQMNUFYYTC-GHMZBOCLSA-N 384.457 4.179 0 1 GIAF S=C(NCc1ccccc1)N1CCN(c2ccnc3ccc(Cl)cc23)CC1 13528836 UIWVFPJOYNIQAH-UHFFFAOYSA-N 396.947 4.085 0 1 GIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc([C@H](C)N(O)C(N)=O)cc1 13603965 OWDJRHPQKVJILQ-AWEZNQCLSA-N 381.432 4.102 0 1 GIAF CC1=N[C@@]2(N=C1N)c1cc(-c3cccc(Cl)c3)ccc1CC21CCOCC1 169708588 XUWDIJDGYAIURP-JOCHJYFZSA-N 379.891 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Cc1cnc(N2CCC(N3CCCC3)CC2)nc1N[C@@H](C)c1ccc(F)cc1 82203824 LLGPURWPSIZEGY-KRWDZBQOSA-N 383.515 4.162 0 1 GIAF O=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ccccn4)c3)cccc12 100078101 RZXHAHWHWMPFDL-UHFFFAOYSA-N 384.435 4.359 0 1 GIAF CCC(=O)[C@@H]1[C@@H](c2ccc(/C=C/I)cc2)C[C@H]2CC[C@H]1N2 100911811 ZSIIPJGEQMLBAQ-VUAVVARPSA-N 395.284 4.296 0 1 GIAF COc1ccc([C@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3ncnn32)c(OC)c1 103943419 YHSMPQLKOILGAJ-WOOAAIBNSA-N 398.463 4.110 0 1 GIAF CN(c1ccc(OCc2ccccc2)cc1)c1nc(=O)c2cccnc2s1 169305448 HMRRSMNUURYCSB-UHFFFAOYSA-N 375.453 4.398 0 1 GIAF CCCCC(C)(C)[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCOCC(=O)OCC 169316654 QCBUKOJAWVDYGH-LNYVVFMMSA-N 396.568 4.465 0 1 GIAF O=C(O)c1cc(NCc2ccccc2)c2c(c1)S(=O)(=O)C=C2c1ccccc1 169345497 YTXQXSANOIGJRX-UHFFFAOYSA-N 391.448 4.173 0 1 GIAF O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3ccc(Cl)cc3S(=O)(=O)[C@@H]12 169715426 FSRXQPRYYHOMBW-BBATYDOGSA-N 394.279 4.369 0 1 GIAF Cn1c(CCC(=O)N[C@H]2CC[C@H](c3ccc(O)cc3)CC2)nc2ccccc21 253666796 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Cc1cc2c(cc1F)[C@](C)(c1sc3c(c1C)C(=O)N/C(=C/Cl)N3)NCC2 962144415 KOTWZIOLQGCDRK-YXZIBZLCSA-N 391.899 4.106 0 1 GIAF CCc1noc(C)c1C(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 15064159 GMOKPJCTTFXCOU-SFHVURJKSA-N 378.476 4.175 0 3 GIAF Cc1cc(N2CCC(C(=O)Nc3ccc(F)cc3)CC2)nc(-c2ccccc2)n1 1350690 RRHZGWVBTWANSP-UHFFFAOYSA-N 390.462 4.446 0 3 GIAF CCCCCCNC(=O)c1cc(NCc2cc(OC)ccc2OC)ccc1O 1661917 PQRHOBFXXKAAHE-UHFFFAOYSA-N 386.492 4.332 0 1 GIAF COc1ccccc1C(=O)N1CC(=O)Nc2ccc(C)cc2[C@@H]1c1ccccc1 2724200 XHCXGSZRTZTBGI-QHCPKHFHSA-N 386.451 4.188 0 1 GIAF Cc1ccc(Cn2cc(C(=O)NCCc3ccncc3)c3ncccc32)c(C)c1 103248959 NVMSCBVQDITPPU-UHFFFAOYSA-N 384.483 4.069 0 1 GIAF Brc1cnn2c(NCc3cccnc3)cc(-c3cccs3)nc12 28959038 JQSIFAJCGCUSRC-UHFFFAOYSA-N 386.278 4.227 0 1 GIAF Cc1cc2[nH]c(C(=O)NC(C)(C)C)c(CCc3ccccc3)c2cc1C(=O)O 29127602 MAXOUCQYGIWRPK-UHFFFAOYSA-N 378.472 4.488 0 1 GIAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1cc2ccccc2nc1Cl 26392416 GERALLWYAGRSED-BYFYWULKSA-N 386.835 4.309 0 1 GIAF CC1=C[C@H](CN2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356459983 GOUXOAWWLQDCFZ-ZCNNSNEGSA-N 397.567 4.353 0 1 GIAF c1ccc(Cc2nc3cc(Nc4ncnc5nn6ccccc6c45)ccc3[nH]2)cc1 28138084 IVNIGGUBKAEFHI-UHFFFAOYSA-N 391.438 4.488 0 1 GIAF Cc1csc(-c2cc(-c3cccnc3)c3n(c2=O)CCCc2ccncc2-3)n1 29407240 WZNQGAWPCOPXOK-UHFFFAOYSA-N 386.480 4.350 0 1 GIAF Cc1ccccc1-c1nc2ccccc2c(=O)n1C[C@@H]1CCCN(C(C)C)C1 28711881 VAJKBFRUBTWIIA-LJQANCHMSA-N 375.516 4.492 0 1 GIAF Cc1ccc(O)c(-c2cc(-c3ccc(I)cc3)[nH]n2)c1 73220316 RHDFAYGCVNAHHE-UHFFFAOYSA-N 376.197 4.362 0 1 GIAF C[C@H](Cc1ccc(-c2ccc(C(=O)O)cc2)cc1)NC[C@H](O)c1ccccc1 40834161 MGNBJHRLGKVHMH-HXOBKFHXSA-N 375.468 4.306 0 1 GIAF CSCC[C@H](Nc1nc(-c2cccc(F)c2)cs1)C(=O)NCC(C)C 82222818 SJCFUZQZCUGLEM-HNNXBMFYSA-N 381.542 4.255 0 1 GIAF CCCCCNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2CCOC 82186730 QJRLFQOMVMNNJM-QGZVFWFLSA-N 381.524 4.421 0 1 GIAF COc1cncc(-c2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)c1 82082643 LQGWKHRKVMCGSN-UHFFFAOYSA-N 386.333 4.366 0 1 GIAF CCCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)cc2)C1 95595283 FHBASVAUOTZWRW-UHFFFAOYSA-N 379.500 4.350 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccc(C)cc1 587868109 URVXWLSZJCJLBG-UHFFFAOYSA-N 391.349 4.000 0 1 GIAF O=C(c1cc(F)ccc1Cl)c1c(CO)oc2cc(Br)cnc12 587276502 RDTGWWWHSIKXKU-UHFFFAOYSA-N 384.588 4.106 0 1 GIAF CCOC(=O)CNc1ccc(-c2nc3cc(Br)c(C)cc3[nH]2)cc1 587227708 SQCUBGBSBUUNCQ-UHFFFAOYSA-N 388.265 4.276 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCN(CC)CC3)cc1)CC2=O 587476017 SJMNJVBNDOPKGF-QHCPKHFHSA-N 394.515 4.193 0 1 GIAF Cc1c(-c2nc3nc(Cl)c(Cl)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029901 VIEGCXZLLYFOGB-UHFFFAOYSA-N 392.271 4.414 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3nnco3)cc2)N1 587795372 OHYQOOLRAXGWMN-BMLIUANNSA-N 388.240 4.262 0 1 GIAF CCSc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587842007 CXNWFFGIOVADTG-PSLIRLAXSA-N 382.302 4.114 0 1 GIAF Cc1cc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2cc1Cl 587024250 QZZKZHYIFSZZIX-UHFFFAOYSA-N 398.879 4.010 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2ccccc2[nH]1 587869418 IAHGDRRAJSJMEO-UHFFFAOYSA-N 386.333 4.142 0 1 GIAF [O-][n+]1ccccc1SCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586969150 GWUAQTSOZFNYDU-UHFFFAOYSA-N 375.759 4.041 0 1 GIAF O=Cc1ccc(OCCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 587566881 ZWPDDTXQJPUGDA-UHFFFAOYSA-N 379.641 4.413 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc[nH]n3)o2)N1 587798700 VLSPSFYWWBFXCB-XLFHBGCDSA-N 376.229 4.195 0 1 GIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(OC)ncc2[nH]1 587033917 CKNMOVNUGBGOFO-ZDUSSCGKSA-N 380.473 4.452 0 1 GIAF O=C1C[C@@H](c2cccc(OC(F)(F)C(=O)O)c2)Oc2c1ccc1c2CCCC1 587509827 WYXDPRHKHWOESE-SFHVURJKSA-N 388.366 4.328 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)Nc2ccccc2)N1 587742423 KYQIEYGZOKFAND-BLVKFPJESA-N 391.284 4.366 0 1 GIAF COc1cccc(OC)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587808501 QJUXHEILZKREFV-MGNBDDOMSA-N 380.257 4.229 0 1 GIAF CC[C@@]1([C@H]2CCOC(C)(C)C2)c2cc(OC)ccc2CCN1CCCOC 961327714 UGSGCHJRXUBCCI-WMZHIEFXSA-N 375.553 4.400 0 1 GIAF Cc1ccc([C@]2(c3ccc(Br)cc3)NCCc3c(C)ccnc32)cn1 963069462 MWNHXGFUICJDNB-NRFANRHFSA-N 394.316 4.294 0 1 GIAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(Cc3ccccc3Nc3ccccc31)NCC2 962924207 NYUPBKNZIRYINB-VWLOTQADSA-N 383.495 4.077 0 1 GIAF CCC(C)(C)NC(=O)[C@@H](c1cccs1)N(C(=O)c1cc[nH]n1)c1ccccc1 13150725 HKPUAKNXKQYMRR-GOSISDBHSA-N 396.516 4.164 0 3 GIAF CCCCCCNS(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 13747387 IYVPSRFATUKXLE-UHFFFAOYSA-N 383.558 4.470 0 1 GIAF COC1CCC2(CC1)Cc1ccc(-c3cncc(C)c3)cc1[C@@]21N=C(C)C(N)=N1 168969398 JXMIZSIVCHFRDW-BOYUCYPVSA-N 388.515 4.173 0 1 GIAF c1ccc(CC[C@@H]2CCCN(CCN[C@@H]3CCN(Cc4ccccc4)C3)C2)cc1 1857584626 BRUSHJCBLNVXBK-IZZNHLLZSA-N 391.603 4.195 0 1 GIAF Cc1nc2ccc(C(=O)NCC(C)C)cc2n2c(-c3ccccc3Cl)nnc12 1857636100 HBBXJKQOOIQIAE-UHFFFAOYSA-N 393.878 4.292 0 1 GIAF Cc1ccc2nc(C)c(C(=O)NCCCNc3ccc(C(C)(C)C)cc3)n2c1 1857637451 HLHWXKXEHPXRED-UHFFFAOYSA-N 378.520 4.481 0 1 GIAF Fc1ccc(CCn2cnc3c(NCc4ccccc4Cl)ncnc32)cc1 1857646539 ZWSZTZLYARGLNF-UHFFFAOYSA-N 381.842 4.474 0 1 GIAF Cc1ccccc1-c1ccn(-c2ccc3c(cnn3CCN3CCCC3)c2)c(=O)c1 59081777 JVTVPKDCDLMSIW-UHFFFAOYSA-N 398.510 4.258 0 1 GIAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1[C@H]1CN3CCC[C@H]3C=C21 28955281 AVTCXJVXWDPCND-XOBRGWDASA-N 393.483 4.347 0 1 GIAF CC(C)CNC(=O)COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12 28367970 NKAUPKUGDIBOGA-UHFFFAOYSA-N 394.446 4.382 0 1 GIAF COc1cc(O[C@@H]2CCOC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1 28572577 FSXRNYHLAZAJJI-GFCCVEGCSA-N 389.814 4.342 0 1 GIAF C=Cc1ccc(Cn2c(C)c(C(=O)NCc3cccc(C)c3)sc2=O)cc1 61926177 ISQVYXFHANJXGC-UHFFFAOYSA-N 378.497 4.148 0 3 GIAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1cc(C)nc1C)C(F)(F)F 34802055 DUKSLEMXBDETTE-GOSISDBHSA-N 388.405 4.309 0 1 GIAF CCOC(=O)[C@@H](C)Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1 40863200 PYPQKIVDLUCDNN-LLVKDONJSA-N 388.880 4.466 0 1 GIAF FC(F)(F)c1ccccc1OC1CCN(c2ncc(-c3ncon3)s2)CC1 49112091 ZRYYXKBNSUWNBG-UHFFFAOYSA-N 396.394 4.260 0 1 GIAF COc1ccccc1-n1nc(-c2ccc(C(N)=O)cc2)cc1-c1ccc(F)cc1 43071533 QJNAFHIUNCRZJP-UHFFFAOYSA-N 387.414 4.453 0 1 GIAF Cc1c(COc2ncccc2F)cncc1-c1cc2c(cc1F)N(C)C(=O)CC2 221021879 ATWNEBLAAPSDKN-UHFFFAOYSA-N 395.409 4.218 0 1 GIAF CCC/C=C1/OC(=O)C2=C1CC[C@@H]1[C@H]2[C@@]23C=CCC[C@@H]2[C@]1(C(=O)CCC)OC3=O 223917931 IRKACHWWOSXIEC-FNNVYFMMSA-N 396.483 4.181 0 1 GIAF O=C1CC/C=C/CN(Cc2ccc(Cl)cc2)C(=O)OC[C@@H](c2ccccc2)N1 95665498 PNFZCNWTHXNUSB-WGWFWPIXSA-N 398.890 4.486 0 1 GIAF CC(C)n1nc(-c2cnc3[nH]cc(Cl)c3c2)cc1C1CCN(C2COC2)CC1 146499514 HQDGTLMALQFOMM-UHFFFAOYSA-N 399.926 4.239 0 1 GIAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccc3nonc3c2)nc1 145029126 OTESPRYFTSUQFC-UHFFFAOYSA-N 380.404 4.302 0 1 GIAF C[C@@H](CCC(=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 255205522 DGABKXLVXPYZII-IBLZUUKFSA-N 392.580 4.478 0 1 GIAF CCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(OCc2ccccc2)cc1 617988260 SPBMOTCJZWXWED-LAFOYAEKSA-N 382.485 4.462 0 1 GIAF COc1ccc2nc(C)cc(N3CCC(NC(=O)Nc4ccccc4)CC3)c2c1 299859577 FYQVCYFBVNMSOJ-UHFFFAOYSA-N 390.487 4.342 0 1 GIAF COc1cc(C(=O)Nc2ccc(-c3ccncc3)cc2F)cc(OC)c1OC 299835540 XDRPQSCPDYGCSM-UHFFFAOYSA-N 382.391 4.166 0 1 GIAF CCC(=O)N(c1ccccc1)C1CCN(Cc2ccc3c(c2)CCC[C@H]3N)CC1 473123281 VBCZHLDOYLCXOK-XMMPIXPASA-N 391.559 4.430 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc(Br)nc2[nH]1)C1CCCC1 587225877 NJPCQZWWDNZIQV-CYBMUJFWSA-N 395.301 4.476 0 1 GIAF C[C@]1(c2cnc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330747 OXHKNQBPUWTBQN-UYAOXDASSA-N 384.794 4.249 0 1 GIAF Nc1ccccc1-c1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 587249929 STAPCZBNFHGBFC-UHFFFAOYSA-N 384.483 4.311 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(Cl)nc12 587552127 NRXMJUBEDXDPII-DYESRHJHSA-N 379.799 4.244 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C[C@H](CC(=O)O)C2(C)C)N1 587825774 FHXUNNQQIZMPIR-HSNFRQSNSA-N 398.316 4.475 0 1 GIAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(F)c1O 587722573 SSNLWIBALJASNW-PWJLMRLQSA-N 384.220 4.065 0 1 GIAF CC(C)(C)c1cccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c12 587194068 ZJIJZJVSLCMUOQ-UHFFFAOYSA-N 379.504 4.380 0 1 GIAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(C(=N)N)ccc2[nH]1 586981446 PENUVLDEZRMDSP-UHFFFAOYSA-N 394.276 4.376 0 1 GIAF COc1cc(OC)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587600538 OHQQAUNWTQQEEX-UGKGYDQZSA-N 378.380 4.112 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCC)(CNC(=O)OC(C)(C)C)CC2=O 587467587 BECHIMNXQALXLP-NRFANRHFSA-N 377.481 4.374 0 1 GIAF Cc1nnn(C23C[C@H]4C[C@@H](CC(CC(=O)c5coc6ccccc56)(C4)C2)C3)n1 587280610 MZMLMUJQIQXFAC-TUKZGULFSA-N 376.460 4.296 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccnc4c(Br)cccc14)[C@@H](C2)C3=O 587417032 IMALQLRDTCQWMA-VBKZILBWSA-N 396.240 4.495 0 1 GIAF CCN1CCC[C@H]1Cn1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587388647 FBQPGUKVODGYEG-JTSKRJEESA-N 381.520 4.186 0 1 GIAF Cc1ccc(NCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660691 RMDRWNHJJCUDPT-UHFFFAOYSA-N 387.414 4.263 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cc(N4CCC[C@@H](C)C4)ccc1N)[C@@H](C2)C3=O 587434553 APNJYPMSUWVFBA-LTJBIVKBSA-N 392.499 4.177 0 1 GIAF COC(=O)c1cc(F)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587734718 VCJFMMVJJMWWGB-XLFHBGCDSA-N 396.231 4.138 0 1 GIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587932850 ZUYSLNWAASHVPI-FVMDXXJSSA-N 382.773 4.431 0 1 GIAF O=C1CC[C@@H]2C[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348536 DGCBDXYTRHNRML-GBFNVCFBSA-N 380.415 4.408 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@H]1CNC(=O)OC(C)(C)C)O2 587386856 MDSOSFYFTHMBDZ-OYHNWAKOSA-N 388.508 4.386 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(C[C@@H](C)O)c2)N1 587835467 XEYWXWLRVHCQNI-CRTZDJKQSA-N 378.285 4.135 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1C[C@H]1CCCO1 587578889 SAQMWDDSJMEURZ-XLHILCRZSA-N 391.423 4.076 0 1 GIAF CC(=O)Nc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587741369 GXFLVIJCOXXXGM-XTZNXHDOSA-N 377.257 4.170 0 1 GIAF CCOc1ccc([C@@]2(CCC(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963098735 JBLFMHQJNLVYBW-MBSDFSHPSA-N 383.463 4.353 0 1 GIAF Cc1sc2c(c1C)CCN[C@@]2(c1cnc(N)s1)c1ccccc1Cl 963004227 BLRVZDWPAODEEW-GOSISDBHSA-N 375.950 4.495 0 1 GIAF COc1ccc2[nH]cc(CCCCN3CCN(c4ccc(O)cc4)CC3)c2c1 13582378 QZPJXIWUORTZLP-UHFFFAOYSA-N 379.504 4.027 0 1 GIAF CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2cccc(OC)c2)cc1 13803498 UWERJSHTOGBZDV-UHFFFAOYSA-N 378.516 4.363 0 1 GIAF CN1CCN(c2ccc(Nc3nccc4[nH]c(-c5cccnc5)cc34)cc2)CC1 206017826 VVFFVQJTZMKBAE-UHFFFAOYSA-N 384.487 4.120 0 3 GIAF Cc1ccc(-c2noc(C3CC(F)C3)n2)cc1NC(=O)c1cnc2ccccn12 206108318 LAMGHCHOPKUMQQ-UHFFFAOYSA-N 391.406 4.161 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cc2ccccc2n1C 167133396 ZPHZFRUOGBYSMV-KXBFYZLASA-N 378.472 4.305 0 1 GIAF COc1ccccc1C(=O)N(CC[C@H]1CCCN1C)c1nc2ccccc2s1 4968536 VJWZYBFEWVNBCF-MRXNPFEDSA-N 395.528 4.436 0 3 GIAF COc1ccc(S(=O)(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 1857551314 JIEZXRHKELJUHK-UHFFFAOYSA-N 380.425 4.304 0 1 GIAF CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2coc3ccccc3c2=O)cc1 1857605065 RPHHQHKRKWAJOE-UHFFFAOYSA-N 380.400 4.392 0 1 GIAF CCN1c2ncc(CCc3ccncc3)cc2C(=O)N(C)c2ccc(Cl)nc21 5841371 JISVFSBNJCUDHU-UHFFFAOYSA-N 393.878 4.058 0 1 GIAF COc1ccc2nc(SC[C@@H](O)c3cccc(Br)c3)[nH]c2c1 6746113 FMKWYBVNJOCZOQ-OAHLLOKOSA-N 379.279 4.160 0 1 GIAF CC(C)=CCC[C@@]1(C)Oc2c(c(O)cc(O)c2C(=O)c2ccccc2)C[C@@H]1O 13403658 FVSFDNITEZDVAF-WMZHIEFXSA-N 382.456 4.130 0 1 GIAF biogenic Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)C(C)(C)C3)cc2)c1CO 34801107 AANVRTGJCGRJSR-UHFFFAOYSA-N 390.531 4.310 0 1 GIAF COc1ccc2[nH]c3c(c2c1)[C@@H]1CCN(C1)[C@@H]3C(=O)O[C@@H](C)c1ccccc1 40781687 QOYBOGLFRNMXIM-PGKMIFDNSA-N 376.456 4.325 0 1 GIAF CCCCC1(CCCC)OC(c2cc(OC)c(OC)c(OC)c2)=NN1C(C)=O 40973735 KWMHDCJWYIPXON-UHFFFAOYSA-N 392.496 4.329 0 1 GIAF COc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1 49035019 HCBWAWNFHVHMOV-UHFFFAOYSA-N 382.508 4.145 0 1 GIAF CNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 49112411 RMJSDWIAVCAAMH-UHFFFAOYSA-N 381.486 4.033 0 1 GIAF O=C1c2ccc(F)cc2C[C@H]1CCN1CCCN(c2ccc(Cl)cc2)CC1 73199172 TUSPVTWVRDALHT-MRXNPFEDSA-N 386.898 4.437 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 137449491 DATMLNMUDBJNRY-CMBSQNDCSA-N 392.580 4.478 0 1 GIAF CCCCC(C)(C)[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 169373298 MZFSUBMVKUYQSC-AFFBNWSWSA-N 392.536 4.102 0 1 GIAF CCOC(=O)[C@H]1C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccccc2)[C@@H]1C 169715025 QENKGEVIUOCSBV-OXQOHEQNSA-N 391.467 4.431 0 1 GIAF O[C@H](CCNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 204420036 WGFWOUPIFYUBOJ-LJQANCHMSA-N 387.405 4.376 0 1 GIAF CC(=O)O[C@H]1C[C@](C)(O)[C@@H](CC/C(C)=C/C(=O)O)[C@]2(C)CCCC(C)(C)[C@H]12 238765861 DWCQGHONFHUARJ-VKWAOJAMSA-N 380.525 4.333 0 1 GIAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1)c1cccs1 253632801 CEJURZXMIYUTSE-MXVIHJGJSA-N 397.588 4.249 0 1 GIAF CCOC(=O)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 586900739 KYQVKFQCRHUDJD-UHFFFAOYSA-N 390.395 4.391 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cncc(C)c3[nH]2)cc1 586950462 WSYVKENMRKTULB-UHFFFAOYSA-N 378.457 4.043 0 1 GIAF CC1=C(c2ccc3[nH]c(-c4ccc(-c5nccs5)cc4)nc3c2)NNC(=O)C1 587024129 WEDWCXWUEWATIE-UHFFFAOYSA-N 387.468 4.109 0 1 GIAF N[C@@H](Cc1ccccc1Cl)c1nc2c(Cl)c(Br)cnc2[nH]1 587059026 LNPMUWCNHOHXLE-JTQLQIEISA-N 386.080 4.270 0 1 GIAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc3ccccc3cc2[nH]1 587204388 XRMWAPRAMOPFRX-IBGZPJMESA-N 389.411 4.158 0 1 GIAF CC1(C)[C@@H]2OCCC[C@@H]2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357956 PCZDBZCXPLXSRK-GBPFJNKXSA-N 382.431 4.464 0 1 GIAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1O 587378982 YJLJJWZQTYMJSP-MRXNPFEDSA-N 392.249 4.151 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1cccc(OC(F)F)c1)O2 587382668 NOSFBPFNKXGBJT-NJRZHNRPSA-N 388.414 4.115 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(Cc2ccccc2)n1 587581442 LFSMFZNWJHVWMS-ZJSXRUAMSA-N 398.418 4.340 0 1 GIAF Cn1ncc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587584239 ZBRPYHIQNPMKEN-REWPJTCUSA-N 386.407 4.156 0 1 GIAF COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC 587599339 FMQVSCZJOLPZTC-PGRDOPGGSA-N 378.380 4.112 0 1 GIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)N1CCCCCC1 587624026 WJYWLULNLTUGOB-UHFFFAOYSA-N 375.270 4.131 0 1 GIAF COCc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587800363 GFWOESOZJUYXPB-NSPYISDASA-N 394.284 4.367 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@H]2C1(C)C 587826114 GMEIZAJQKRURFS-KPMCRWRASA-N 380.301 4.343 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1csc(C)n1 587867131 TZDQNLAOLFXVRS-UHFFFAOYSA-N 381.379 4.421 0 1 GIAF CC[C@]1(Cc2nc3ccc(Br)nc3[nH]2)CC(=O)c2ccccc2C1 587961580 SCXKIWFZNUCZDI-LJQANCHMSA-N 384.277 4.488 0 1 GIAF CC1(c2ccccc2)CC2(C1)N[C@@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962645133 UPMVBGRFHBRGKD-QHGAOEGBSA-N 391.389 4.131 0 1 GIAF COc1cccc([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1OCC(=O)O 962661171 DWKCRHSFZFMJJD-QHCPKHFHSA-N 389.451 4.061 0 1 GIAF Cc1nc2ccccn2c1[C@@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962695825 FRQGRXPDHLYSCU-OPAMFIHVSA-N 381.520 4.409 0 1 GIAF O=S(=O)(Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1)C1CCCCC1 1857589014 XTMXYEVFULFOLR-UHFFFAOYSA-N 388.508 4.463 0 1 GIAF Clc1c(-c2nc3ccccc3c(=NCCN3CCCC3)[nH]2)[nH]c2ccccc12 1857635431 RNIPKKXIWYICRF-UHFFFAOYSA-N 391.906 4.361 0 1 GIAF CC1(C)OC[C@H]([C@]2(C)CC[C@]3(C)[C@@H](C2)C(=O)C[C@H]2[C@@]4(C)CCC[C@@]23OC4=O)O1 2356723159 ZPFFGPITQXYMAE-ATXMRMRKSA-N 390.520 4.025 0 1 GIAF CCN(CC)CC[C@H](c1ccc2c(c1)OCO2)c1c(O)cc(OC)cc1OC 13661565 ZGTCXQQGCBRQOO-QGZVFWFLSA-N 387.476 4.002 0 3 GIAF C[C@H](C(=O)N1CCCC1)[C@@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O 5022120 FRXXJSPXTMSWBI-YWZLYKJASA-N 398.503 4.092 0 1 GIAF CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2F)cc1 27088924 IXHHWPUUCDNCPL-UHFFFAOYSA-N 384.354 4.305 0 1 GIAF CCCCCc1ccc(CN2C(=O)c3ccccc3[C@]23CC(O)=NC3=O)cc1 27522272 MZQLLKMPWKTXGF-QHCPKHFHSA-N 376.456 4.157 0 1 GIAF Cc1ccc(F)c(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(N)c34)cc2)c1 29129386 XBIBNHNLAZMICE-UHFFFAOYSA-N 376.395 4.299 0 1 GIAF CCCN1CCc2cccc3c2[C@H]1Cc1ccc(OC(C)=O)c(OC(C)=O)c1-3 31983999 XIUGOOSNVROHDP-LJQANCHMSA-N 379.456 4.070 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@H]4CCCC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820959 LQKJAOUNQQFWQV-BDGPYREGSA-N 392.580 4.478 0 1 GIAF CC(C)OC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4O 40864346 HRUXVZFJIHJNDP-QLSAUNAQSA-N 392.580 4.320 0 1 GIAF O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccc(Cl)cc1)c1ccccc1O 71335188 AIVTXGMGZMXUBO-LJQANCHMSA-N 380.831 4.155 0 1 GIAF CCC(CC)c1nc2c(NCCc3ccc(F)cc3)ncnc2n1CCOC 82187584 CSESOYZPTSZFKD-UHFFFAOYSA-N 385.487 4.170 0 1 GIAF On1ncc(C2CCNCC2)c1-c1cn(Cc2ccccc2)c(-c2ccccc2)n1 96913325 CXNUOOTVTMVRCI-UHFFFAOYSA-N 399.498 4.166 0 1 GIAF Clc1ccc(C2=NO[C@H](c3c[nH]c4ccccc34)[C@H]2CN2CCOCC2)cc1 103287890 NGYHFXZUBUOSAF-SIKLNZKXSA-N 395.890 4.245 0 1 GIAF NC(=S)N1N=C(Nc2nc(-c3ccccc3)cs2)C[C@@H]1c1ccccc1 169350073 ACXPXQLHQPJXKK-MRXNPFEDSA-N 379.514 4.226 0 1 GIAF C[C@]1(c2cccc(NC(=O)c3nc4ccccc4s3)c2)CCSC(N)=N1 169686991 WSRYGTGZJYNWCR-LJQANCHMSA-N 382.514 4.215 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(C(C)=O)c3)cc2)C[C@H]2CC[C@H]1N2C 253632629 CGGKEMRCMPNIGU-ODAXIHTASA-N 377.484 4.296 0 1 GIAF COCCn1cnc2c1-c1ccc(OC)c(c1)OCC=CCOc1cccc-2c1 254014422 WLMNHVYCQAHXMQ-UHFFFAOYSA-N 392.455 4.200 0 1 GIAF Cc1nc(COc2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)cs1 587020391 QUKPVYQHNCLTHS-UHFFFAOYSA-N 377.429 4.156 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(C)nc3[nH]2)c1 587049958 KPWSLYJGEDUDHQ-MDZDMXLPSA-N 397.866 4.310 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1 587059092 NDBMFDDKAZPVCK-UHFFFAOYSA-N 391.924 4.080 0 1 GIAF COc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2cc1Cl 587085274 QAAFDRCOVSBPLP-UHFFFAOYSA-N 378.263 4.052 0 1 GIAF Fc1cc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2cc1Cl 587113285 OXGJYXYWVKYTKF-UHFFFAOYSA-N 396.735 4.076 0 1 GIAF O=C1COc2cc3[nH]c(-c4cc(F)ccc4-n4cnc5ccccc54)nc3cc2N1 587159668 SGXPWUQTYGSTGL-UHFFFAOYSA-N 399.385 4.039 0 1 GIAF Fc1ccc(-c2cn3c(Cc4nc5cc6c(cc5[nH]4)OCO6)csc3n2)cc1 587165989 KEGFPUIMTJXONK-UHFFFAOYSA-N 392.415 4.398 0 1 GIAF CCOC(=O)[C@@]1(c2ccc(F)cc2)CCc2nc3cccc4c3c(c2C1)CC4 587212107 CKORXWBQJZRRLA-DEOSSOPVSA-N 375.443 4.462 0 1 GIAF CC1(C)Cc2n[nH]cc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351188 ZANQCXJMIGESRF-OFNKIYASSA-N 392.430 4.481 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1NC(=O)OC(C)(C)C)CC2=O 587470426 NBJJAHXIMIGFSW-UTKZUKDTSA-N 375.465 4.126 0 1 GIAF CCOC(=O)[C@@H]1Cc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526306 SNKMVOKMOQWLHN-RDPSFJRHSA-N 376.452 4.162 0 1 GIAF CCN(CC)[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587573653 UCFLZGZIOPPVKC-VIZSFHNOSA-N 381.472 4.377 0 1 GIAF COCCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593470 DPONDOFEVPSFEQ-REWPJTCUSA-N 392.407 4.120 0 1 GIAF CCCCOC(=O)[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587595174 JMXDQPXZNDWYJA-BTCOZLQPSA-N 396.439 4.236 0 1 GIAF CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600980 CGQVVUMPWVNYDS-TXKCWOHGSA-N 378.424 4.118 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C2CC2)(C(F)(F)F)N1 587704668 JHIAWXZFUJAOER-VXJOIVPMSA-N 394.206 4.249 0 1 GIAF CCn1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587753233 AJZPFJRCGHXSJH-YPMLDQLKSA-N 380.305 4.219 0 1 GIAF CC(=O)COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587796315 UBFVWCHVHJJHNU-WLRWDXFRSA-N 392.268 4.180 0 1 GIAF COC(=O)[C@H]1CC[C@H]([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587805178 HCIIHDDHLBZICY-GUUCOKDPSA-N 384.289 4.143 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)COc1ccccc1C 587867919 QSWIGUQCGZHSGF-UHFFFAOYSA-N 391.349 4.000 0 1 GIAF COc1cccc(CCCCCCCCN2CC[C@H](OC(=O)N(C)C)C2)c1 653702400 FGPAGOKEVAXSBG-NRFANRHFSA-N 376.541 4.351 0 1 GIAF CC(C)c1ccc(NS(=O)(=O)c2cc(C(=O)O)c(O)c3ccccc23)cc1 653729290 ARMZPDQJZRAVKH-UHFFFAOYSA-N 385.441 4.168 0 1 GIAF CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCC2=COC(=O)C2)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356431021 ZBICKXGNEGEFRD-QJSROQMMSA-N 378.509 4.133 0 1 GIAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@H](COc1ccc3ccc(=O)oc3c1)[C@@]2(C)O 2356483178 ZMOPWHIELRYMND-MVPFYTHOSA-N 398.499 4.344 0 1 GIAF Cn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2c3ccccc3n(C)c2c1=O 2465424 LLVYOSLTBCSIIV-UHFFFAOYSA-N 383.810 4.075 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C=CCC[C@]34C)[C@@]1(O)CC[C@H]2c1ccc(=O)oc1 2356475571 IQRPHRMIXCXFEN-FMATUSASSA-N 384.516 4.162 0 1 GIAF O=c1c2c3c(sc2nc2n1N=C(c1ccc(Cl)cc1)CS2)CCCC3 6006823 RCNXFXIFFRKWOE-UHFFFAOYSA-N 387.917 4.348 0 1 GIAF Cc1cc(C)c(CN2CCCN(Cc3ccccc3Cl)S2(=O)=O)c(C)c1 6945296 DHKMSONXSSGHTL-UHFFFAOYSA-N 392.952 4.218 0 1 GIAF CC[C@](C)(Oc1ccc(CC(=O)Nc2cc(C)cc(Cl)c2)cc1)C(=O)O 27527145 SJNPTMUTNRVJDP-FQEVSTJZSA-N 375.852 4.462 0 1 GIAF CC(=O)N1CC[C@](C)(c2ccccc2)[C@@H]2C=C(NC(=O)OC3CCCC3)C=C[C@H]21 118266256 BYYWYRYHYCVCLI-CQOQZXRMSA-N 394.515 4.304 0 1 GIAF Cc1ccc2c(c1)-n1c(nc3ccc(C)cc3c1=O)[C@H](Cc1ccccc1)NC2=O 61949284 FJQRDIYZIJKTQA-NRFANRHFSA-N 395.462 4.030 0 3 GIAF CC(C)S(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 27417720 OBDXOGKRNGPBQA-UHFFFAOYSA-N 386.395 4.108 0 1 GIAF CCCNC(=O)[C@]1(C)CCN(Cc2ccc3ccccc3c2Br)C1 61906407 DQEFDKRUUUSBDX-HXUWFJFHSA-N 389.337 4.341 0 3 GIAF O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2-c2n[nH]cc2[C@H]1C1CC1 43176061 OOIZPRZUUPEOSZ-LJQANCHMSA-N 385.876 4.390 0 1 GIAF CCOc1ccccc1-c1nc(CN(C)CCc2ccc(OC)c(OC)c2)co1 72182592 YJESZDDKZSRGJF-UHFFFAOYSA-N 396.487 4.432 0 1 GIAF Nc1cnc(-c2ccc(-c3ccccc3Sc3ncccn3)cc2F)cn1 224712767 CLAZJDOFJBEXFT-UHFFFAOYSA-N 375.432 4.473 0 1 GIAF Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCC(C)CC2)cc1 40917281 CCCPDTOIWNMAPS-UHFFFAOYSA-N 391.515 4.195 0 1 GIAF COc1cc2c3c(c1OCC1CC1)-c1cc(N(C)C)ccc1C[C@H]3N(C)CC2 1911584621 BSFCQYXCEBCJRB-HXUWFJFHSA-N 378.516 4.302 0 1 GIAF Cc1cc(Cl)nc(N2C(=O)CS[C@@H]2CC23CC4CC(CC(C4)C2)C3)n1 40914090 HBPTZHMMYXXMCH-DUKHMXAISA-N 377.941 4.451 0 1 GIAF Cc1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1C 223667620 YAATZNGETCYJHV-SFHVURJKSA-N 389.528 4.352 0 1 GIAF O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cc(Br)ccc1O 84632541 REXPQDWOYBKXBN-UHFFFAOYSA-N 394.225 4.065 0 1 GIAF COC[C@H](C)NC(=O)c1cc(NC(=O)c2ccco2)cc(-c2ccc(C)cc2)c1 142608599 PWZNPPYPJSCGDI-INIZCTEOSA-N 392.455 4.272 0 1 GIAF COc1cc2c(c(O)c1Cc1ccccc1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 71331992 SCYWNQTZQMNLGR-IBGZPJMESA-N 392.407 4.109 0 1 GIAF biogenic CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cccc(F)c1)CC2=O 587468491 VOYIEHHYZRKZDD-QFIPXVFZSA-N 386.419 4.298 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(CCCc3ccc(OC)cc3OC)nc2c1 587928767 KLFUFWDEDVZNPX-UHFFFAOYSA-N 388.851 4.195 0 1 GIAF COc1ccc2nc(-c3nc4ncc(Br)c(C)c4[nH]3)sc2c1 587034468 GGTKTSZOYIZZRD-UHFFFAOYSA-N 375.251 4.314 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccc(F)cc3[nH]2)N1 587727345 BLGBFCLHVHQUKT-ZKANADHPSA-N 378.220 4.227 0 1 GIAF CCOC(=O)[C@@H](C(C)C)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587401760 XWOJYSOIMVPMGZ-NFBKMPQASA-N 381.472 4.273 0 1 GIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Cl)nc2[nH]1 587112376 JBNAKGUJVWHAFI-INIZCTEOSA-N 382.773 4.030 0 1 GIAF Fc1cc2[nH]c(-c3nc(Br)ccc3Cl)nc2cc1-n1cccn1 587005094 MUAFYFJRPWFNLX-UHFFFAOYSA-N 392.619 4.366 0 1 GIAF COC(=O)Nc1ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cn1 587245779 XPRQGKZTMNIYHU-UHFFFAOYSA-N 375.226 4.183 0 1 GIAF Cc1c(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc(-c2ccc(F)cc2)n1C 587166607 XMSRFZZETIJQJL-UHFFFAOYSA-N 376.391 4.014 0 1 GIAF Brc1cnc2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 587030068 ZNLOXHVBQVLBGX-UHFFFAOYSA-N 387.262 4.423 0 1 GIAF O=C1c2ccc(O)cc2OC2(CCN(CC3CC3)CC2)[C@H]1c1ccc(F)cc1 587347924 VUAWTGRGQPXJFP-NRFANRHFSA-N 381.447 4.135 0 1 GIAF CN(C)Cc1csc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587615823 ZBKTVGDPNZEVHV-RXVVDRJESA-N 381.453 4.218 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(Br)c(F)c2[nH]1 587040752 BHKCDCIESXZLMF-JTQLQIEISA-N 386.290 4.085 0 1 GIAF COc1cc2c3c(c1)O[C@](c1cccnc1)(c1ccc(F)c(C)c1)[C@@H](C2)C3=O 587422052 BWZJKNYPVOQRER-MBSDFSHPSA-N 375.399 4.229 0 1 GIAF O=C(c1nc(-c2ccc(Cl)cc2)no1)n1nc2cc1Oc1ccc(F)cc1-2 587873731 IKDNFERXBNIGIS-UHFFFAOYSA-N 382.738 4.187 0 1 GIAF COc1ccc(C[C@@H](C)c2nc3cc(Br)c(C)nc3[nH]2)cc1OC 587927681 WCDRLKXJEGWWJW-SNVBAGLBSA-N 390.281 4.392 0 1 GIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(Br)cnc2[nH]1 587116152 PZKXSFNPDHSHHO-UHFFFAOYSA-N 394.154 4.349 0 1 GIAF Cc1cc(CN2CCC[C@H](C)C2)c(C)c([C@@H]2NCCc3nc4ccccn4c32)c1 962984850 OCCHHTARQIRWFO-XDHUDOTRSA-N 388.559 4.418 0 1 GIAF COc1cccc2cc3c(nc12)[C@]1(CCCCN(C(=O)OC(C)(C)C)C1)NCC3 963064912 HNMKKDOULSDETL-HSZRJFAPSA-N 397.519 4.005 0 1 GIAF COc1cc2c(cc1OC)[C@]1(CCCc3c1ccc(OC)c3OC)N(C)[C@@H](C)C2 962640791 RWWKNTDBVDOQSH-IZHWHUGBSA-N 397.515 4.177 0 1 GIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1cn(Cc2ccc(Cl)cc2)nn1 963112029 WKQPEXIVENUOAF-RXVVDRJESA-N 382.870 4.229 0 1 GIAF Cc1ccncc1[C@]1(c2cccc(Cl)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962920870 MUHVIYHJTDEDIF-UGKGYDQZSA-N 396.849 4.073 0 1 GIAF Cc1c(O)ccc2c1[C@](C)(CC(C)(C)c1c[nH]c3ccccc13)N[C@H](C(=O)O)C2 963527559 PQZUOCPQSFZIHW-CYFREDJKSA-N 392.499 4.364 0 1 GIAF COc1cc2c(cc1OC)-c1nc3ccccc3c(NCCCN(C)C)c1CC2 1772596881 QWJJMBQWNKZNMC-UHFFFAOYSA-N 391.515 4.381 0 1 GIAF C[C@@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccccc2Br)=NO1 12726027 HPGIBICVSLEGMV-IBGZPJMESA-N 398.260 4.463 0 3 GIAF COc1ccc([C@@H](C)Cn2ccnc2NC#N)cc1OC1Cc2ccccc2C1 13438984 ISVRFRJMIDSUOC-INIZCTEOSA-N 388.471 4.135 0 1 GIAF COc1cccc(C[C@]2(CO)CCCN(Cc3cn(C)c4ccccc34)C2)c1 13596621 PFPVLMXVRGZRBP-XMMPIXPASA-N 378.516 4.004 0 3 GIAF CCc1nc2sc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)n2n1 838704 NURGVZYLZIHTFO-UHFFFAOYSA-N 383.498 4.091 0 1 GIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCCN1CCCC1 4212935 KCVPCUMMOFHMGW-VQTJNVASSA-N 391.581 4.364 0 1 GIAF COc1ccccc1Nc1ncc(C(=O)NCc2ccccn2)c2ccccc12 4760847 JJLGOOBDGJXING-UHFFFAOYSA-N 384.439 4.312 0 1 GIAF Cc1cccc(-c2nc(C[S@](=O)CC(=O)N[C@H](C)c3ccccc3)c(C)o2)c1 5057949 JFWORTVDCIYIFT-WVDZOPJMSA-N 396.512 4.085 0 1 GIAF Cc1ccc(S(=O)(=O)n2ccc([C@H](O)c3ccc(Cl)cc3Cl)c2)cc1 6522665 VGKDVUNPIGDWEB-SFHVURJKSA-N 396.295 4.422 0 1 GIAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 13555463 IYMLCJZYVKMKSH-YCULYRLHSA-N 398.506 4.458 0 1 GIAF c1ccc(-c2oc3nccc(NCCN4CCNCC4)c3c2-c2ccccc2)cc1 23359504 QUIQCYFSBGOBKE-UHFFFAOYSA-N 398.510 4.479 0 1 GIAF in-vivo CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3cc(O)ccc32)cc1 28380961 MKBSAFKTKFOPHL-UHFFFAOYSA-N 381.428 4.150 0 1 GIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\c2nccs2)c1 34080937 VUJPIWHYIZLNND-KTKRTIGZSA-N 393.512 4.170 0 1 GIAF C[C@]1(C(=O)O)CCN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64448979 WVFQWSQTENHWCH-ZODMCCGTSA-N 375.512 4.420 0 1 GIAF CCOC(=O)COc1ccc(-c2cc3cc4c(cc3o2)O[C@H](C(C)(C)O)C4)cc1 72175812 UOZFNORMCSDERU-NRFANRHFSA-N 396.439 4.116 0 1 GIAF O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3cnccc31)c1ccccc1CO2 100040365 NHVAMAWZHNGLML-QGMBQPNBSA-N 383.407 4.154 0 1 GIAF CC(=O)c1ccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)cc1 101400924 RDYCGWBCHOXFBA-UHFFFAOYSA-N 391.492 4.482 0 1 GIAF O=S(=O)(N[C@@H]1[C@@H]2CC[C@@H]1Cc1c(F)cccc1C2)c1ccc(Cl)s1 169346422 YTBSSZLYKCFJCT-PSTGCABASA-N 385.913 4.013 0 1 GIAF CCCOc1cc(C)c(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)cn1 169709244 MOQBGYCZIWMLSD-LAUBAEHRSA-N 397.519 4.034 0 1 GIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(NOCC(=O)O)=CC[C@]4(C)[C@H]3CC[C@]12C 198422289 JLOWZSVDQVBLHV-CSPZMSETSA-N 387.520 4.254 0 1 GIAF C[C@@H](NC(=O)Nc1cc2n[nH]c([C@@H]3CC3(F)F)c2cn1)c1ccc(F)cc1 219751065 COSNGKHMHXKUHQ-RNCFNFMXSA-N 375.354 4.102 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 586918438 YZTBWOUPTWRGFA-BBATYDOGSA-N 376.243 4.481 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 586939726 SDDDNHSDVFOFAK-NSHDSACASA-N 397.422 4.326 0 1 GIAF Cc1cc(C)c2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc2c1 586952679 FMANOOPAEIUYRP-UHFFFAOYSA-N 384.486 4.104 0 1 GIAF CCOC(=O)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006114 HURQRVNLHJGLRG-UHFFFAOYSA-N 384.233 4.422 0 1 GIAF COc1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cc1C 587029225 KHOMOVKUOJNNQB-UHFFFAOYSA-N 375.457 4.401 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(Cl)c(F)c1)O2 587382327 PVSDBCFCMFTBPO-IBGZPJMESA-N 377.799 4.095 0 1 GIAF COc1cc2c3c(c1)OC1([C@H]4CCC[C@H]1CN(Cc1ccccc1)C4)[C@@H](C2)C3=O 587440977 CEWHQSABURPPTE-ZJOUEHCJSA-N 389.495 4.114 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(C)nc4sc5ccccc5n14)[C@@H](C2)C3=O 587454283 VXLJLICPKGNUEK-RBZFPXEDSA-N 376.437 4.355 0 1 GIAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(C(=O)OCc2ccccc2)C1 587484167 YMSIPLULXSDTCR-UHFFFAOYSA-N 380.440 4.202 0 1 GIAF C[C@@]1(c2ccccc2N2CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587512847 FYTDVZJVRHRVPF-QHCPKHFHSA-N 377.440 4.403 0 1 GIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1cccnc1-c1ncccc12 587527975 VNMNHPQCYCXOBW-XMMPIXPASA-N 382.419 4.079 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)o1 587546556 WQRBDLDZSSBHKO-MAUKXSAKSA-N 387.185 4.451 0 1 GIAF C[C@]1(c2nc3ccc(F)cc3[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567577 DZLUFVLVXUWZFW-AVRDEDQJSA-N 390.370 4.285 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccncc1)c1ccncc1 587587749 PRSULDPTVUWCFU-OAQYLSRUSA-N 396.402 4.088 0 1 GIAF CCC[C@@]1(c2c[nH]c(C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590115 RAQOTKQCDPJWBB-AVRDEDQJSA-N 393.395 4.076 0 1 GIAF C[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606206 CHCHSAAMUJQVHW-OFNKIYASSA-N 390.391 4.040 0 1 GIAF COc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587701311 XAHXOOFIUGBMSX-VXJOIVPMSA-N 385.664 4.269 0 1 GIAF COCCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587793995 NSOBLJCXYVDGMK-BLVKFPJESA-N 394.284 4.237 0 1 GIAF Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)ccc(C(=O)O)c1C 653700750 WRBLOVAXQYYLFM-UHFFFAOYSA-N 390.439 4.117 0 1 GIAF in-vitro c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@]34CCCc3scnc34)C2)cc1 962633736 GLLURWKOQSFEKF-RDPSFJRHSA-N 387.552 4.470 0 1 GIAF CC(=O)Oc1ccccc1[C@@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962694913 FLGRGNBVDIFEQV-KSFYIVLOSA-N 385.504 4.378 0 1 GIAF COC(=O)[C@]1(c2ccc(Cl)cc2)c2ccsc2CCN1Cc1ccco1 962716221 YQIHPJKVRYXUQB-FQEVSTJZSA-N 387.888 4.469 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CC(C)=O)(C(F)(F)Br)N1 962951727 USLOVIQXKHDTHL-BZNIZROVSA-N 385.252 4.254 0 1 GIAF O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccc(F)cc2)cc1 1772629264 TZVFTSQQDVXJEF-OMRFCXAISA-N 396.458 4.212 0 1 GIAF COc1ccccc1-c1cc(N(Cc2ccccn2)Cc2ccccn2)ncn1 1857557234 ACIPMRHPGKKMKH-UHFFFAOYSA-N 383.455 4.149 0 1 GIAF CC[C@@H](O)c1ccc(Oc2cc([C@H](O)CC)cc(OC)c2OC)c(OC)c1 1857610467 NATQNEQRCGOPTM-HZPDHXFCSA-N 376.449 4.392 0 1 GIAF CN1CCN(c2nc(Cl)nc3c2ccn3Cc2cccc3ccccc23)CC1 1857650933 SSWRFMGVIRQKKX-UHFFFAOYSA-N 391.906 4.038 0 1 GIAF O=C1CC[C@H]([C@@H](O)C=CCCCCCC=C(Br)Br)O1 2356716957 CHSPIILKMVACOK-NWDGAFQWSA-N 396.119 4.191 0 1 GIAF CCO[C@@H](Cc1ccc(OCc2nc(-c3cccs3)oc2C)cc1)C(=O)O 3950459 XVMBSQQFBULZPM-KRWDZBQOSA-N 387.457 4.323 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCCN1CCCC1 4212940 KCVPCUMMOFHMGW-PMACEKPBSA-N 391.581 4.364 0 1 GIAF Cc1cc2nc(N[C@H]3CC[C@H](N)CC3)cc(Nc3ccc(F)c(Cl)c3)n2n1 101556868 UZFSNHVYEFHDBN-BETUJISGSA-N 388.878 4.256 0 1 GIAF CCOc1ccccc1NC(=O)N1C(=S)O[C@@H](c2ccc(Cl)nc2)[C@H]1C 103213737 FAMKUDBNCYFCRQ-BDJLRTHQSA-N 391.880 4.413 0 1 GIAF CN(C)c1cccc(NC(=O)[C@@H]2Cc3c(-c4ccc(Cl)cc4)ccnc3O2)c1 61904686 XVIKQSUDTCEPIB-FQEVSTJZSA-N 393.874 4.410 0 3 GIAF CCN1c2ccc(NC(=O)c3coc(=O)c4ccccc34)cc2[C@H]2C=CC=C[C@H]21 20104838 DJPQNIXTOACJAN-DYESRHJHSA-N 384.435 4.463 0 1 GIAF CC(C)(C)OC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 26398427 NBHMWIWFTLXHNU-PTEKMSDPSA-N 375.553 4.466 0 1 GIAF COC(=O)C1=CCC[C@@H](C(=O)OC)[C@H]2C[C@@H](CCC(C)=CCC1)C(C)(C)O2 2356466125 UIOPZIKIYCIVFP-GUDVDZBRSA-N 378.509 4.359 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)[C@H](O)CC[C@@]34CO[C@@](C=Cc5ccccc5)(O[C@@H]1[C@H]32)O4 2356493905 KCBJXTPRNWHMEW-XCDBGYOESA-N 384.516 4.381 0 1 GIAF O=C(O)C1(c2ccc3c(c2)OC[C@H](Cc2ccc(F)cc2F)[C@H]3O)CCCC1 26393001 ZWAJDLZIAIIAHZ-VBKZILBWSA-N 388.410 4.146 0 1 GIAF COc1cccc(-c2c[nH]c([C@H](O)c3cccc(CN4CCCCC4)c3)n2)c1 61897408 PTVLMMPXTDJQCA-JOCHJYFZSA-N 377.488 4.153 0 3 GIAF CCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2cccs2)on1 36384196 AISCERDTBIBFLE-UHFFFAOYSA-N 392.484 4.140 0 3 GIAF COc1cccc(F)c1C(=O)NC(=O)NC1c2ccccc2-c2ccccc21 43025616 CJDGSWAEQZFVCU-UHFFFAOYSA-N 376.387 4.044 0 1 GIAF Clc1ccc(N2CCN(CCN3CCC(Cc4ccccc4)CC3)CC2)cc1 653719658 WVJRSTXUPHHJCJ-UHFFFAOYSA-N 397.994 4.417 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(NC(=O)OC(C)(C)C)CC2)N1 587744755 SSHHLLTYYGSVOO-MEBBXXQBSA-N 399.304 4.221 0 1 GIAF FC(F)(F)c1cnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 587007179 NKXYSAQCTGXLHZ-UHFFFAOYSA-N 382.143 4.283 0 1 GIAF COc1ccc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587547166 KYZFMDBZCAHXDV-JXFKEZNVSA-N 383.787 4.152 0 1 GIAF COc1ccc([C@@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587938382 WAVHHHTWZPTCHO-JOCHJYFZSA-N 385.423 4.083 0 1 GIAF N[C@@H](c1ccsc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587024639 DCWQVQUWYRSDJG-JTQLQIEISA-N 392.200 4.334 0 1 GIAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4ncc[nH]c-4n3)c(Cl)cc12 587078516 UFDSADWISRYNIK-JTQLQIEISA-N 384.823 4.157 0 1 GIAF COc1ccc(-c2csc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)n2)cc1 587451351 NFFWLLZONVLWPR-FOIQADDNSA-N 379.437 4.316 0 1 GIAF O=C1c2ccc(O)cc2O[C@](CO)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 587327960 IUYGXEXURBGFEY-IFMALSPDSA-N 398.817 4.431 0 1 GIAF COc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587567121 DTQLVSGIAQXIID-GCJKJVERSA-N 380.371 4.417 0 1 GIAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587062507 UHUGTFKENWNUTD-IBGZPJMESA-N 384.911 4.498 0 1 GIAF COc1ccc(C[C@@H](C)c2nc3ccc(Br)nc3[nH]2)cc1OC 587925202 CKQCPPOOYGCQNZ-SNVBAGLBSA-N 376.254 4.084 0 1 GIAF N[C@@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@H]1c1ccccc1F 587154374 DUWGFHPDGUILQH-PWJLMRLQSA-N 382.183 4.084 0 1 GIAF Cc1c(Br)cnc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 587077216 RUNPMODXQZOETF-ZDUSSCGKSA-N 391.656 4.299 0 1 GIAF FC(F)(F)c1cnc2[nH]c(Cn3nc(C(F)(F)F)c4c3CCCC4)nc2c1 587119326 BEOFALXTJABLEG-UHFFFAOYSA-N 389.303 4.119 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCC=C(NNc4ccc(F)cc4)C1)[C@@H](C2)C3=O 587427965 KNBKULSKIJSDDQ-AVRDEDQJSA-N 380.419 4.005 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2C(=O)O)N1 587824726 CUCNXZLYDZKXDY-YPMLDQLKSA-N 378.241 4.084 0 1 GIAF CCOCc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611429 INWQZVQFDRBGEC-FXAWDEMLSA-N 383.425 4.088 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cccc(I)c1 963270703 QUOGVAUXGPDKQC-MRXNPFEDSA-N 399.659 4.188 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21CCCc2c1cnn2-c1ccccc1 963612565 SILUTFNICAFEGF-FYSMJZIKSA-N 389.499 4.004 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962710028 PBPCOIMGLTWFDG-BXYJTDFISA-N 391.552 4.384 0 1 GIAF O=S(=O)(c1ccccc1)c1cc(Cl)cc(OCCNc2ccncc2)c1 13494022 VYUKYNPBLSNHKR-UHFFFAOYSA-N 388.876 4.059 0 1 GIAF O=C(Nc1cccc(F)c1)N1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1 3956312 JFVGNNXMDODHLT-JOCHJYFZSA-N 399.441 4.125 0 1 GIAF COc1ccc(-c2cc3nccn3c(Nc3ccc4cn[nH]c4c3)n2)cc1OC 6716043 NKTQPBWZINMNES-UHFFFAOYSA-N 386.415 4.033 0 1 GIAF O=C(N/C(C(=O)N1CCCCCC1)=C(/Cl)c1ccccc1)c1ccccc1 26640591 WWZCBLMZTMBNMQ-FMQUCBEESA-N 382.891 4.427 0 1 GIAF CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CCO)cc2)nc(N)n1 26386533 VUUVNHVNEHRWAM-UHFFFAOYSA-N 384.867 4.056 0 1 GIAF CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccc(OC)cc2[C@H]1O3 29570903 JHBJXFJNSKBBLY-JOCHJYFZSA-N 392.455 4.111 0 1 GIAF CS(=O)(=O)c1ccc(-c2occ(Cl)c(=O)c2-c2ccc(F)c(F)c2)cc1 26290917 TYYNTJFNDVJRAP-UHFFFAOYSA-N 396.798 4.309 0 1 GIAF COc1ccc(CCNc2cc(-c3cccc(C(C)=O)c3)nc(OC)n2)cc1 66102675 MIDXFMMNLJOEGD-UHFFFAOYSA-N 377.444 4.018 0 1 GIAF CC(C)CNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2C[C@H]1CCCO1 82178087 LALBVDHICNMVBM-PKOBYXMFSA-N 393.535 4.419 0 1 GIAF CCOc1ccccc1CNc1cc(Oc2cccc(NC(C)=O)c2)ncn1 82068362 PLEFLNAYURKQOF-UHFFFAOYSA-N 378.432 4.238 0 1 GIAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@@H](C)C(=O)NC1CCCC1)C2 25206613 MPLGIVPDFJPLHF-IEBWSBKVSA-N 386.580 4.044 0 1 GIAF biogenic CCNC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 299822637 DBCLSIUOUISKKH-UHFFFAOYSA-N 381.907 4.461 0 1 GIAF C[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccc(Cl)cc1 653825429 VSAFVGCQDRSBFK-CQSZACIVSA-N 397.862 4.465 0 1 GIAF Cc1ccc2c(ccc3nc(-c4cnn5cccc(Br)c45)[nH]c32)n1 587006976 TWQKUMOEJOIEPQ-UHFFFAOYSA-N 378.233 4.497 0 1 GIAF COc1nc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587852629 MJVYRVFQFZFDNT-KGFZYKRKSA-N 391.693 4.330 0 1 GIAF Cc1ccnc2c1c([C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C 587754945 FXFUFHZZJDXSCK-ADLMAVQZSA-N 388.284 4.407 0 1 GIAF COc1ccccc1CC(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862455 OKIQDBNRODGINR-UHFFFAOYSA-N 390.361 4.469 0 1 GIAF CC(=O)Oc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599845 ICJIYAANXQGGII-OFNKIYASSA-N 390.391 4.195 0 1 GIAF CCOC(=O)[C@@H](C(C)C)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441998 NPHGIYDZGCBKRH-MEKIYTOJSA-N 394.467 4.173 0 1 GIAF CC(C)CCNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658065 JQYMSJKYGKFXTH-UHFFFAOYSA-N 387.455 4.110 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)O2 587388226 YLNHQPYJULGBET-BZUAXINKSA-N 388.508 4.385 0 1 GIAF Cc1nc2c(C)cccn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587772150 DRQWZFICOPFAIM-DIFFPNOSSA-N 388.284 4.476 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1cc(F)ccc1Br)O2 587385001 KVQRJXLDKSQBKU-SFHVURJKSA-N 378.241 4.445 0 1 GIAF COC(=O)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587524912 NPADGTHZWRFJHY-HOYKHHGWSA-N 376.452 4.477 0 1 GIAF C[C@@]1(c2nc3ccc(F)c(Br)c3[nH]2)C=C(c2ccccc2F)NO1 587158282 WCEXTKFLWXEUEW-KRWDZBQOSA-N 392.203 4.395 0 1 GIAF Cc1ccc(-c2nc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c(C)s2)cc1 587011603 AUIXYWUCZWQYPT-UHFFFAOYSA-N 383.498 4.374 0 1 GIAF C[C@]1(c2ccc(SC(F)(F)F)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962919756 LILKFBNFJXTAPG-DOTOQJQBSA-N 385.382 4.300 0 1 GIAF O=[P@](O)(Oc1ccc(Cl)cc1)Oc1cccc(C[n+]2ccsc2)c1 13454808 HPOCJOHLPXMPGM-UHFFFAOYSA-O 382.785 4.296 0 1 GIAF COc1cncc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)c1 205651454 YDSSBNQHIHUKCS-UHFFFAOYSA-N 387.414 4.134 0 1 GIAF O=C(Cn1c(=O)oc2ccc(Br)cc21)c1ccc2ccccc2c1 1857618423 BUJXBVBCJPCOGF-UHFFFAOYSA-N 382.213 4.393 0 1 GIAF C[Si](C)(C)c1onc(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1 1857656132 XFSHEMJYJXCIBQ-UHFFFAOYSA-N 389.524 4.096 0 1 GIAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](CO)[C@H](C)CC)c1 775774 XWUVJRHCQIYQLS-RHSMWYFYSA-N 388.508 4.175 0 1 GIAF CC(C)Cn1cc(C(=O)N2CCC[C@H](C)C2)c2c3ccccc3n(C)c2c1=O 2466225 PEPORKIYLCSCRJ-INIZCTEOSA-N 379.504 4.021 0 1 GIAF CN1C(=O)c2ccccc2[C@H](C(=O)NCCc2ccsc2)[C@H]1c1cccs1 6875510 YYPPCBHVBLGAOZ-RBUKOAKNSA-N 396.537 4.079 0 1 GIAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1Cl)c1ccco1 103192514 IGJVRBVNSZKAES-OAHLLOKOSA-N 392.703 4.179 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2cccc(F)c2)cc1 29406867 KBVMFRVPTKTEOA-UHFFFAOYSA-N 399.369 4.069 0 1 GIAF COc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@H]1CCCO1 103544894 DDCCBFZIUCCNNG-QVKFZJNVSA-N 397.471 4.226 0 1 GIAF CS(=O)(=O)c1ccc(-c2nc(N[C@H]3CC=CCC3)cc(C(F)(F)F)n2)cc1 103170816 FXYRVVWCHMNASL-ZDUSSCGKSA-N 397.422 4.087 0 1 GIAF Cc1ccc(-n2nc(C)c3c(C(=O)Nc4nc(C)cs4)cc(C)nc32)cc1 20516748 NQNYEQNGZFVWAI-UHFFFAOYSA-N 377.473 4.363 0 1 GIAF COc1cc(Nc2ncc3ccn(-c4cccs4)c3n2)cc(OC)c1OC 40563734 HTUUQGMPORZYTM-UHFFFAOYSA-N 382.445 4.251 0 1 GIAF CC(=O)c1ccccc1OCCCN1CCN(Cc2ccccc2Cl)CC1 49808186 SCYFRXPHRUCXNK-UHFFFAOYSA-N 386.923 4.129 0 1 GIAF CC1(C)CC(=O)c2sc(N3CCOC[C@H]3Cc3c[nH]c4ccccc34)nc2C1 40917484 UPQKAJYEZWCPJY-OAHLLOKOSA-N 395.528 4.227 0 1 GIAF CCCCN(CC)c1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12 40899675 AMYBMROKOODFQT-UHFFFAOYSA-N 397.523 4.360 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4C=C(O)[C@@H]5C[C@H]5[C@]4(C)[C@H]3CC[C@]12C 253633991 LNBRDPIYZGBLLR-HORCYGJNSA-N 384.564 4.466 0 1 GIAF COC(=O)C[C@@H]1c2ccccc2[C@@H](Cc2ccc(OC)cc2)[C@H](C)N1C(=O)OC 299812690 LPMQDEGGQDLASL-ONGXBYRLSA-N 397.471 4.096 0 1 GIAF O=C(O)CCc1nnc(C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)s1 653861646 BFPHGTJOAXVIST-UHFFFAOYSA-N 387.848 4.128 0 1 GIAF CC(C)CCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595937 MAPDKUFUYOEFFF-DENIHFKCSA-N 384.428 4.092 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccc(O)cc32)N1 587834118 QYWBPWKMVRVRIY-NSPYISDASA-N 376.269 4.408 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3nnco3)cc2)N1 587796173 PLRKIZWPCYBUHM-DYZYQPBXSA-N 388.240 4.262 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2COc3ccccc3O2)N1 587828919 BAPWHQIRLOPAHI-DQNAHFDYSA-N 392.268 4.178 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3SCCS[C@@H]32)N1 587857760 UNODTYGHGMMXDS-JSTZJWCRSA-N 388.371 4.329 0 1 GIAF CN(C)C1=C[C@]2(CC(C)(C)C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587572172 OEYGDONMDQVZTF-WMZHIEFXSA-N 379.456 4.358 0 1 GIAF CCOC(=O)[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587382431 PSHJZZKSZWUMMM-LJQANCHMSA-N 393.361 4.020 0 1 GIAF CN(C)Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587573227 SEGBZHASJWEUHP-REWPJTCUSA-N 375.424 4.157 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nnn(-c3ccc(F)cc3)c1C)CC2=O 587472396 PQTXESXPMSQCIV-JOCHJYFZSA-N 395.434 4.254 0 1 GIAF FC(F)(F)c1nc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2[nH]1 587120494 LICNWPCFEZSJRX-UHFFFAOYSA-N 382.143 4.283 0 1 GIAF Cc1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1 587065060 YUSPAFAVWBGVDS-UHFFFAOYSA-N 379.847 4.432 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCCO)(c2ccc(F)cc2)N1 587733006 PKQGTRIHMOIKLS-CWTRNNRKSA-N 396.275 4.278 0 1 GIAF COC(=O)COc1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587526616 YSNMGNVXDHAJIV-OAQYLSRUSA-N 394.467 4.441 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4ccc(C(=O)O)cc41)[C@@H](C2)C3=O 587451222 QLPDFBQHOFKOTA-YADARESESA-N 384.387 4.065 0 1 GIAF CCOc1ccc(Br)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420533 XUEGVIQZDBCNQZ-KUHUBIRLSA-N 389.245 4.345 0 1 GIAF CC1(C)Cc2nc[nH]c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587344393 GSAATVIYPFZYFR-AUSIDOKSSA-N 392.430 4.481 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccc4c(c3)OCCO4)cs1)O2 587412662 JZBLBDAQYPXXST-IBGZPJMESA-N 394.452 4.178 0 1 GIAF CC(C)(CC(=O)O)Cc1nc2cc(Br)c(Br)cc2[nH]1 587955791 OWDGHKLGDWRTNV-UHFFFAOYSA-N 390.075 4.131 0 1 GIAF COc1cncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587338279 NSJJUPXSDAJTOB-RBBKRZOGSA-N 379.387 4.209 0 1 GIAF Cc1c(Br)cnc2[nH]c(-c3ccc(NC(=O)C(C)(C)C)nc3)nc12 587247769 SSCAYNDKQGDSHQ-UHFFFAOYSA-N 388.269 4.075 0 1 GIAF NNC1=C[C@@H](c2ccccc2)Cc2[nH]nc(Nc3cccc(C(F)(F)F)c3)c21 957624375 IWBIKVRAMDOAHS-CYBMUJFWSA-N 385.393 4.316 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@@H](c2ccc(O)c(C(F)(F)F)c2)N1)C(F)(F)F 962731447 SBHZHENPSWSARQ-UKRRQHHQSA-N 389.295 4.146 0 1 GIAF CCOC(=O)C[C@@]1(c2ccc(F)c(C)c2)c2c(F)cccc2C[C@@H]2CCCN21 963101846 MESQWDRMQNXZKR-FDDCHVKYSA-N 385.454 4.491 0 1 GIAF OCCN1N=C2c3cc(Cl)ccc3SC[C@@H]2[C@@H]1c1ccc(Cl)cc1 4389053 CIUJUUCPECGPRN-YJBOKZPZSA-N 379.312 4.469 0 1 GIAF COc1ccc(-c2cc3c(c(OC)c2)OCCN(C(=O)[C@H](C)F)C3)cc1Cl 1772629515 WMLOCJBVAYLCMN-LBPRGKRZSA-N 393.842 4.103 0 1 GIAF OC1C[C@H](c2ccccc2)C2([C@@H](O)c3ccccc3[C@@H]2O)[C@@H](c2ccccc2)C1 5538422 PBMDMYZUOMKWHI-NGSHPTGOSA-N 386.491 4.476 0 1 GIAF Nc1ccccc1NC(=O)c1ccc(CNC(=O)CCCc2ccccc2)cc1 13533274 GNKGLYORFGAWBU-UHFFFAOYSA-N 387.483 4.160 0 1 GIAF COCC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1 3956179 IQOPXGYMTBOZRL-UHFFFAOYSA-N 378.516 4.209 0 1 GIAF Oc1c(-c2nnc(-c3ccc(F)cc3)o2)cnc2ncc(-c3ccncc3)cc12 1857583567 BKSNNMILNZLBHT-UHFFFAOYSA-N 385.358 4.254 0 1 GIAF Cc1ccc(NC(=O)c2ccc3c(c2)N(C2CCCC2)[C@@H](C)C(=O)N3C)cc1 1857759007 RLYYGKYMTZUOEC-INIZCTEOSA-N 377.488 4.361 0 1 GIAF CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@]35CC[C@]12C 2356329291 AUNTULGWYMQHON-FTHOQJTPSA-N 388.640 4.332 0 1 GIAF CCOc1nc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc2s1 3633492 UUYRURUCORTZTA-UHFFFAOYSA-N 398.532 4.479 0 1 GIAF Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3ncccn23)cc1 4903459 IJTFXBUILKEXEQ-UHFFFAOYSA-N 385.471 4.285 0 3 GIAF Cc1ccc(NC(=O)c2cccnc2)cc1Nc1nccc(-c2cccnc2)n1 8656718 YWQVBESSYLICRX-UHFFFAOYSA-N 382.427 4.238 0 1 GIAF in-vivo CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1)CC(=O)O 26152615 GUZNPRZPHMSJJC-QGZVFWFLSA-N 385.357 4.371 0 1 GIAF CCc1nn(C)c(C(=O)NCc2ccc(Cc3ccc(C)cc3)cc2)c1Cl 103275612 HMLDPPTUAGGIQO-UHFFFAOYSA-N 381.907 4.465 0 1 GIAF Cc1ccccc1C1=Nc2nc3ccccn3c2C(=O)[C@H](Cc2ccccc2)N1 103245043 PFXYQMQHDPKUMP-IBGZPJMESA-N 380.451 4.118 0 1 GIAF COc1ccc([C@@H]2c3ccc4ccccc4c3O[C@H]3N=C(S)NC(=N)[C@@H]32)cc1 64448795 KYSIWMFCTDITTB-LVCYWYKZSA-N 389.480 4.181 0 1 GIAF CCN(CC)C(=O)c1cccc(-c2csc([C@@H](O)c3cccc(OC)c3)n2)c1 61902726 GGKKBHGWBDNSST-FQEVSTJZSA-N 396.512 4.382 0 3 GIAF COc1cc(CC[C@]2(OC(C)=O)CC[C@H](C3CCCCC3)[C@@H](O)C2)ccc1O 2356773223 UAQWMSYZLIXKJA-NWSQWKLXSA-N 390.520 4.377 0 1 GIAF CCCCC[C@H](O)C(C)(C)C(=O)N1C(=O)OC(C)(C)[C@H]1Cc1ccccc1 2356854431 ROQRBGPOJLWCGH-MSOLQXFVSA-N 375.509 4.323 0 1 GIAF CCCCCCS(=O)(=O)N[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C/C=C\CCCC(=O)O 29551592 ZSNZEHPRCOSOCW-FQVNCWSASA-N 385.570 4.102 0 1 GIAF COCc1cccc(-c2csc([C@@H](NC(C)=O)c3cccc(OC)c3)n2)c1 61905410 DZKJLVJYKMBTFV-FQEVSTJZSA-N 382.485 4.191 0 3 GIAF CC1(C)C[C@@H]2C[C@@](C)(CN2CCN2CCN(c3cccc(Cl)c3)C2=O)C1 43021135 OLKRKRWLKISLQU-WIYYLYMNSA-N 375.944 4.483 0 1 GIAF c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc([C@@H]4CCCN4)cc3)nnc1-2 96174130 GTGZEZDRKRIFBO-SFHVURJKSA-N 380.455 4.478 0 1 GIAF O=C(Oc1cccc(C(F)(F)F)c1)N1CCc2c([nH]c3ccc(O)cc23)C1 95597294 SLMXNJGLKVCCJH-UHFFFAOYSA-N 376.334 4.449 0 1 GIAF COC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(=S)N[C@@H]1c1ccccc1 95599458 MUXKCIBJZIDPSF-GOSISDBHSA-N 386.904 4.218 0 3 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](CF)c4ccccc4)ncc23)ccn1 261102890 GUIHYEBGUJWSRQ-GOSISDBHSA-N 390.422 4.161 0 1 GIAF Cc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(Cl)cn3)cc2C1=O 473100629 IVEOTHVAKQRPAZ-CQSZACIVSA-N 382.851 4.040 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C(=O)OCC)c1ccccc1)CC2=O 587483566 RBWPHMPRQKVAPS-OFNKIYASSA-N 382.456 4.416 0 1 GIAF Brc1ccc2cc(-c3nc4cc(Br)ncc4[nH]3)cn2c1 587005954 BOPJNJKWPKNCBC-UHFFFAOYSA-N 392.054 4.403 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cncc(F)c2)(C2CC2)N1 587733088 NLCQWIHNEMKVSE-XTZNXHDOSA-N 379.248 4.310 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2COc3ccccc3O2)N1 587828921 BAPWHQIRLOPAHI-XNPNBVRTSA-N 392.268 4.178 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 586907872 OITWUXPOTGTDPU-UHFFFAOYSA-N 397.500 4.125 0 1 GIAF Cc1c(-c2nc3nc(C(C)(C)C)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029070 GXCNKYHURQLVHX-UHFFFAOYSA-N 379.489 4.405 0 1 GIAF C[C@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172681 JZIZXGLKDSTIBK-QGZVFWFLSA-N 382.288 4.488 0 1 GIAF CN1CCCc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587593170 JRKZYNBXKCZLEP-ZJSXRUAMSA-N 387.435 4.478 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncccc1C(=O)O 587859121 BSDDWNCCQLJMHN-UHFFFAOYSA-N 378.215 4.338 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)cc(Cl)cc3[nH]2)cc1 586935475 ICSXXSNYZGEUJC-GFCCVEGCSA-N 377.897 4.269 0 1 GIAF COc1ccc(-c2cccc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c2)cc1O 587785582 CETCKZBHKXDYSW-UHFFFAOYSA-N 387.439 4.313 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(F)cccc32)N1 587737166 CXNUOSCPLFCAEW-MGNBDDOMSA-N 380.232 4.288 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587230621 VMKFJKONZFSBLY-UHFFFAOYSA-N 392.484 4.031 0 1 GIAF Cc1ccnc2c1CCN[C@@]2(c1c(F)cccc1Br)C(F)(F)F 963067837 APCPROVKHHSTNL-OAHLLOKOSA-N 389.190 4.243 0 1 GIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2[nH]ccc2Cl)N1 963180664 NQRIFLRIXSROIC-NWDGAFQWSA-N 379.165 4.029 0 1 GIAF Cc1cccc2c1N(C(=O)CSc1ccc(Br)cn1)CCC2 166704973 LSYTUCWNIYPFDN-UHFFFAOYSA-N 377.307 4.224 0 1 GIAF COc1ccc(CCNc2cc(-c3ccc(Cl)cc3)nc3ncnn23)cc1 1772581914 CKENNLXANFJPQI-UHFFFAOYSA-N 379.851 4.108 0 1 GIAF OC1C[C@H](c2ccccc2)C2([C@@H](O)c3ccccc3[C@H]2O)[C@@H](c2ccccc2)C1 17259611 PBMDMYZUOMKWHI-ALGSVBNKSA-N 386.491 4.476 0 1 GIAF CCN1CC[C@]23C[C@@H]4Nc5ccccc5[C@@H]4C[C@H]2[C@H]1Cc1ccc(OC)c(O)c13 169373362 MGSQVKPJFDAIBR-WEORMHMESA-N 390.527 4.277 0 1 GIAF NC1=N[C@@H](CCc2ccc(N[C@H](c3cccc(F)c3)C(F)(F)F)cc2)CO1 169701201 NJDIBHDPNQDWHK-DLBZAZTESA-N 381.373 4.187 0 1 GIAF O=c1c2c(oc3cc(Cl)ccc13)N1C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]1CC2 1857619209 RERNOILSXLWBIJ-FSPMTTQMSA-N 384.907 4.072 0 1 GIAF Nc1ncccc1-c1cc(Cc2ccc(OCc3cccc(F)c3)nc2)no1 1857620354 HOKNHCDQEQJJBF-UHFFFAOYSA-N 376.391 4.023 0 1 GIAF Cc1cc(=O)oc2cc(OCc3cn(-c4ccc(F)c(Cl)c4)nn3)ccc12 1857748622 BCECEYDPUNIBOU-UHFFFAOYSA-N 385.782 4.054 0 1 GIAF CN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1 6010242 BUFGEOWFEWGNLG-MSOLQXFVSA-N 385.335 4.238 0 1 GIAF O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c2ccccc12 13650631 FHUFPSCNOIGXPM-UHFFFAOYSA-N 391.374 4.340 0 1 GIAF CC/C(=C\C(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1 13745833 NOTKEUOJAXVFSD-HMMYKYKNSA-N 388.515 4.472 0 1 GIAF Cc1cc([C@@H]2[C@H](C(C)C)CC[C@]2(C)C(=O)O)c(C(=O)O)c(O)c1Br 15267078 CUEYFKVUWNYWDV-IMQJOWEQSA-N 399.281 4.402 0 1 GIAF biogenic CC(C)(C)c1ccc(S(=O)(=O)NC2[C@H]3CC[C@@H]2Cc2ccccc2C3)cc1 28348704 YHPXUPMIWAWXCL-QIDMFYOTSA-N 383.557 4.456 0 1 GIAF Brc1ccc(CCCO[C@@H]2CCCC[C@H]2N2CCOCC2)cc1 28653678 BCDOGCZNMSWULZ-RTBURBONSA-N 382.342 4.042 0 1 GIAF COc1ccc2cc(-c3cccc(CO)c3)cc(CCNC(=O)C3CCC3)c2c1 40916173 CIIZALZCWRDKFN-UHFFFAOYSA-N 389.495 4.467 0 1 GIAF in-vitro C[S@@](=O)c1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1 40935563 YRYOKLCQUKMJCX-DEOSSOPVSA-N 383.256 4.360 0 1 GIAF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CCn4c(=O)n(C)c(=O)n4[C@@H]3CC[C@@]21C 69061969 YNIABQBJLDTVEG-PUIBNRJISA-N 387.568 4.118 0 1 GIAF CC(C)c1nc2c(NCc3ccccc3)ncnc2n1CCN1CCCCC1 82181714 KCWGFEKSYCJWQP-UHFFFAOYSA-N 378.524 4.048 0 1 GIAF CCCS(=O)(=O)c1ccc2[nH]c([C@H]3CCO[C@H](c4ccccc4)C3)nc2c1 95574363 SEGIVIKFYDDEGE-JXFKEZNVSA-N 384.501 4.382 0 1 GIAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)n2nc(C(C)(C)C)cc12 96908246 DEHLXCFASOTFAD-UHFFFAOYSA-N 386.540 4.046 0 1 GIAF FC(F)(F)Oc1ccc(-c2cnc3ccc(NCc4ccccn4)nn23)cc1 115129003 HTSFBSDPNXQWJT-UHFFFAOYSA-N 385.349 4.302 0 1 GIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(C)cncc4[nH]3)cc2)c1C 586947627 WRUSPODKEVFAME-UHFFFAOYSA-N 392.484 4.351 0 1 GIAF O=[S@](Cc1nc2c(Cl)ncnc2[nH]1)C(c1ccccc1)c1ccccc1 586957720 AWHGXZDRMIJKHK-AREMUKBSSA-N 382.876 4.045 0 1 GIAF COc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587000638 JGAMWIKQDLPHKY-DJWKRKHSSA-N 387.233 4.276 0 1 GIAF CC(=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587018620 KQUFLPPVAJCIPL-UHFFFAOYSA-N 391.452 4.251 0 1 GIAF O=C1COc2cc3nc(-c4ccc5ccc(Cl)c(Cl)c5n4)[nH]c3cc2N1 587082755 FPLXQFBJZXLUFK-UHFFFAOYSA-N 385.210 4.416 0 1 GIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)cc2N1 587124522 BEPYVINKEJORGT-SSDLBLMSSA-N 391.184 4.436 0 1 GIAF NS(=O)(=O)c1ccc(F)c(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587141900 YTJFWARDPVSSBF-UHFFFAOYSA-N 399.472 4.168 0 1 GIAF Cc1cccc(NC(=O)Cc2nc3cc(Br)c(F)cc3[nH]2)c1C 587239492 PMZROWOPYGZMIM-UHFFFAOYSA-N 376.229 4.263 0 1 GIAF Nc1ccc2c(c1)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336678 NZYQHMJQPMGZRC-JTHBVZDNSA-N 375.399 4.314 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3cccc(C)n3c1Br)O2 587374262 VMSZKKMCFQMJBF-CQSZACIVSA-N 386.249 4.002 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C[C@@H](C)C(=O)O)(c1ccccc1F)CC2=O 587467946 VADRLMZLIQKJAU-MCMMXHMISA-N 386.419 4.455 0 1 GIAF Cn1c(C(=O)O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515091 JGCKSBANHKTBQC-LJQANCHMSA-N 375.424 4.462 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1nc(Cl)ccc12 587551769 JJFQENKBNKASLD-RXVVDRJESA-N 379.799 4.244 0 1 GIAF Cc1cnc(Cl)nc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551896 KXOURISQKQZJJI-MGPUTAFESA-N 382.803 4.021 0 1 GIAF COC(=O)c1cc(F)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587571677 OFWZBHGGTZJBNI-WIYYLYMNSA-N 394.354 4.021 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(N)c(F)c2)N1 587718113 HXICTULDGSQCKI-WNWIJWBNSA-N 385.227 4.246 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CN(C)C)c2)N1 587741484 NMSBOEXNSXRSTN-BLVKFPJESA-N 377.301 4.273 0 1 GIAF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587767467 AXSDIBNQGIDUJY-ADLMAVQZSA-N 379.273 4.180 0 1 GIAF COc1ccc2c(c1)[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587804831 CBMWHMPVYDMJHR-NSPYISDASA-N 376.269 4.321 0 1 GIAF Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)N[C@H](Cc1ccccc1)C(=O)O 621429306 BUJPMCUXOSVDJC-GOSISDBHSA-N 383.831 4.334 0 1 GIAF COc1ccc2c(c1OC)[C@](CC(=O)C(F)(F)F)(CC(C)C)N(C)[C@@H](C)C2 962558132 AUTHNQXVLOCDCP-ORAYPTAESA-N 387.442 4.343 0 1 GIAF COc1cc2c(cc1OC)[C@]1(CCN(Cc3ccccc3)C[C@H]1C)N(C)[C@@H](C)C2 962563438 GHFYYWZDNGNBIY-HHJKRLRDSA-N 394.559 4.318 0 1 GIAF COc1ccc2c(c1)C=C([C@]1(C)c3c(ccc(OC)c3OC)C[C@H](C)N1C)CO2 962564527 HDISOICWLNDDMB-IZHWHUGBSA-N 395.499 4.280 0 1 GIAF Cc1c(Br)ccc2c([C@H]3NCCc4c3c(C(C)C)nn4C)c[nH]c12 962920374 MQRALRTWZSAUFT-LJQANCHMSA-N 387.325 4.331 0 1 GIAF O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(O)cc(Cl)c2)CC1 1857543710 NFMNBTDJGVWTTK-UHFFFAOYSA-N 378.255 4.434 0 1 GIAF CC(=O)N1c2ccccc2N(Cc2ccc(Cl)cc2C(=O)O)C[C@H]1C1CC1 1857763019 RUGQHKBOIJUHMT-FQEVSTJZSA-N 384.863 4.190 0 1 GIAF Nc1oc2cnccc2c1Nc1ccc(I)c(Cl)c1 1857766549 LHIWLYGFBQFSLH-UHFFFAOYSA-N 385.592 4.412 0 1 GIAF COc1cc(-n2nc(-c3ccc(C)cc3)c3cccnc32)cc(OC)c1OC 1911581624 POAPDUVICJGQCB-UHFFFAOYSA-N 375.428 4.422 0 1 GIAF CC(=O)N(C)[C@H](C(=O)NC=Cc1c[nH]c2c(CC=C(C)C)cccc12)C(C)C 2356428050 WHFCSKJBZCDEKG-QFIPXVFZSA-N 381.520 4.266 0 1 GIAF CC1(C)O[C@@]2([C@@H]3C[C@H](CC4=CN[C@H](N)C=C4)CC4(CCCC4)C3)CC[C@H]1[C@@H](N)C2 2356854515 RPPQUXFVGMMGJK-KBGBRKOKSA-N 399.623 4.356 0 1 GIAF CCc1cc2c(cc1CCCC(=O)O)C[C@]1(Cc3ccc(C(=O)O)cc3C1)C2 6371688 IJXUAEAOFQKZJH-DEOSSOPVSA-N 378.468 4.238 0 1 GIAF CC1(C)SC(Nc2ccccc2)=NN1C(=O)COc1ccc(Cl)cc1 103172868 MKCMZYJUSXAXSE-UHFFFAOYSA-N 375.881 4.413 0 1 GIAF COc1ccc(Nn2c(SCC(=O)c3ccc(F)cc3)nc(C)c2C)cc1 103244273 BKYIYBGRAZIPOA-UHFFFAOYSA-N 385.464 4.498 0 1 GIAF COc1cccc(NC(=O)NCCCN2CCC[C@@H](Cc3ccccc3)C2)c1 29402567 QHRGJOOBZYAGCN-FQEVSTJZSA-N 381.520 4.162 0 1 GIAF CCOC(=O)C[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26736675 ZWEAWVBDWMYBOG-DEOSSOPVSA-N 386.451 4.194 0 1 GIAF COc1cc(-c2cc3nc(NC4CCCCC4)ccn3n2)cc(OC)c1OC 61903892 SOKKKPLFPMFCAF-UHFFFAOYSA-N 382.464 4.167 0 3 GIAF COc1ccc(C(=O)c2cccn2C/C=C/c2cccc(CC(=O)O)c2)cc1 66260032 PNYLWCJKWHGREU-XVNBXDOJSA-N 375.424 4.068 0 1 GIAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC1=C[C@@H](OC)OC1=O 2356495100 FSJFGZMOIPHTEI-SOSNMWEESA-N 376.493 4.174 0 1 GIAF Cc1ccc(Cl)c(OCCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1 28341671 RLXSIHFFYALFRG-UHFFFAOYSA-N 399.922 4.397 0 1 GIAF CC1=C[C@H](CNC2CCCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356838916 MELQBRWTEDNELO-NSHGMRRFSA-N 397.567 4.399 0 1 GIAF CCOc1cc2c(cc1OCC)C(c1cc3ccccc3s1)=NN(C)C(=O)C2 73157713 LFDSCLOSMHJNJH-UHFFFAOYSA-N 394.496 4.466 0 1 GIAF O=C1c2ccc(NCCO)c3cccc(c23)CN1c1cccc(Br)c1 35794393 ZCMBMVCSHHULNR-UHFFFAOYSA-N 397.272 4.167 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)[C@@H]([C@@H]1OC(=O)/C=C/c1ccccc1)[C@](C)(O)CC[C@H]2O 39560255 HVLYGZJHRBJSCY-RDDIJASNSA-N 386.532 4.206 0 1 GIAF COc1cc2c(cc1C(C)C)CC[C@@H]1C3=C(CC[C@@]21C)C(=O)OC(C)(C)[C@@H]3O 14823703 LVERCARRTBWEFF-NYQDVAGCSA-N 384.516 4.425 0 1 GIAF biogenic c1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3C[C@@H]2CCCO2)cc1 82178206 DKGGDMQTBPSTBJ-IBGZPJMESA-N 385.471 4.284 0 1 GIAF CCC(CC)c1nc2c(NCCCc3ccccc3)ncnc2n1CCOC 82180063 WJLYVHFABQMSSC-UHFFFAOYSA-N 381.524 4.421 0 1 GIAF CC1CCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc(F)cc3)n2)CC1 82140735 IFQXJNYLXSKIJG-UHFFFAOYSA-N 382.483 4.145 0 1 GIAF CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 82133186 RKMJVYDFKRXBKI-HDICACEKSA-N 380.536 4.354 0 1 GIAF O=C(O)Cn1c(=O)c(-c2ccc(F)cc2)nc2ccc(-c3ccc(F)cc3)cc21 299870980 XJFPKGPLWORJDS-UHFFFAOYSA-N 392.361 4.093 0 1 GIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)cc1 586948214 LDGDEQBVCXQNAZ-UHFFFAOYSA-N 385.823 4.312 0 1 GIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587811388 ZVYKJMTVKHLKGP-NSPYISDASA-N 394.284 4.403 0 1 GIAF Cc1cnc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 587339943 REPJCDHYBGYOQF-DENIHFKCSA-N 378.403 4.212 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587800845 ZYGWNYCHXNGOFR-WHWRDJHUSA-N 384.289 4.071 0 1 GIAF C=C(C(=O)O)c1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O 587944784 HYIMXRISCNFQLK-UHFFFAOYSA-N 395.386 4.406 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3nc[nH]c32)N1 587801210 DRCYUKGJHBZSLE-YPMLDQLKSA-N 378.289 4.062 0 1 GIAF COc1ccc(OC)c(-c2nc3cc(Br)cc(F)c3[nH]2)c1OC 587926029 JUUSRFLJAZHUNA-UHFFFAOYSA-N 381.201 4.157 0 1 GIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(Br)c(F)c2[nH]1 586881723 IBUIWKVGIQSNEB-UHFFFAOYSA-N 389.224 4.393 0 1 GIAF CC[C@]1(C2(C(=O)OC)CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587806103 JDANTKGZPHVIOW-ZMZPIMSZSA-N 384.289 4.071 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3ccc(O)cc32)[C@H]1c1ccc(F)cc1 587361440 YQHBQNKLXOFNAG-JTHBVZDNSA-N 392.382 4.274 0 1 GIAF CSc1sc(-c2nc3cnccc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586919563 AXOVYTBRLUCSMM-UHFFFAOYSA-N 387.939 4.244 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCN(Cc4ccccc4)CC1(C)C)[C@@H](C2)C3=O 587435250 DYFQOBQKJHCWMM-YADARESESA-N 377.484 4.114 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(F)c(F)c2[nH]1 587001451 QGWKEMGBALJFOB-LBPRGKRZSA-N 391.219 4.327 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4ccsc4C(=O)c4ccsc41)[C@@H](C2)C3=O 587454501 XOPKTWACUPUUGO-RBZFPXEDSA-N 380.446 4.054 0 1 GIAF CC1(C)Cc2cc([C@H]3N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc2O1 962968596 CVIKLGYNJDPYND-RDTXWAMCSA-N 393.817 4.020 0 1 GIAF COc1ccc(-c2cc([C@@H]3c4cc(OC)c(OC)cc4C[C@H](C)N3C)on2)cc1 962641835 XUUFSXRXCYXVOS-PSLXWICFSA-N 394.471 4.333 0 1 GIAF COc1cccc([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1OC 962706858 MIXAWGYQHPMNJX-QRQCRPRQSA-N 387.520 4.470 0 1 GIAF NC(=O)C1(c2cccc(-c3cccc(Nc4nccc(C(F)(F)F)n4)c3)c2)CC1 1772571583 LVAHHSGULPKFKA-UHFFFAOYSA-N 398.388 4.423 0 1 GIAF O=c1[nH]c(-c2ccc(C(F)(F)F)c(Cl)c2)nn1-c1cc(Cl)ccc1O 13587050 LPLFGQAKNUMAQT-UHFFFAOYSA-N 390.148 4.259 0 1 GIAF Cc1cc(=O)c(Oc2ccc(F)cc2F)c(-c2ccc([S@](C)=O)cc2)o1 13977524 OTLLZHXQRRNIOL-AREMUKBSSA-N 376.380 4.423 0 1 GIAF C[C@@H]1C[C@@H](N)CN(c2ccncc2NC(=O)c2csc(C3CCCCC3)n2)C1 169706502 XFKAPHNFSNSIFR-GDBMZVCRSA-N 399.564 4.012 0 1 GIAF COc1cc(-c2nccc3[nH]nc(-c4cccc(F)c4)c23)cc(OC)c1OC 205232214 MGDJLUWCBDVIFE-UHFFFAOYSA-N 379.391 4.457 0 3 GIAF COc1cc(C(=O)c2cccc(-c3cccc4[nH]ccc34)n2)cc(OC)c1OC 1857562482 MSALDSKXNHNOSJ-UHFFFAOYSA-N 388.423 4.487 0 1 GIAF Cc1nc2ccc(C(=O)NC(C)(C)C)cc2n2c(-c3ccccc3Cl)nnc12 1857746726 OJAXBFVGAVYNTN-UHFFFAOYSA-N 393.878 4.435 0 1 GIAF C/C(=C\CC1CCN(Cc2ccc3c(c2)Nc2nccnc2S3)CC1)C(=O)O 138125504 HELKUDFXASVHDM-JLZUIIAYSA-N 396.516 4.318 0 1 GIAF Cc1ccc(C(=O)O)cc1Nc1ncnn2cc(C(=O)c3ccccc3)c(C)c12 3819147 KIMDKFOBPWJXPJ-UHFFFAOYSA-N 386.411 4.019 0 1 GIAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(C)cc1Br 2356298549 KIIBPNLBELDIBA-QLFBSQMISA-N 396.398 4.164 0 1 GIAF N=C(NCC1CCCCC1)c1c(O)nsc1Nc1ccc(-n2cccn2)cc1 101101159 SMFUSJQWGKJYLQ-UHFFFAOYSA-N 396.520 4.273 0 1 GIAF CC(C)C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)o2)[C@@H](CC(C)C)C(=O)N1 103267102 LGWRVFGUMPSTSM-OALUTQOASA-N 382.504 4.348 0 1 GIAF O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccnc1 102130808 BIHLYZJZNSJIGJ-BJESRGMDSA-N 380.447 4.325 0 1 GIAF COC(=O)C[C@H](C)CC[C@@H]1C(COC(C)=O)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]12C 2356606955 KJGJWCMSMYHAKT-FPXAXAJJSA-N 394.552 4.279 0 1 GIAF O[C@@H]1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 28822088 LIROUCJHJSDZPV-QGZVFWFLSA-N 396.712 4.248 0 1 GIAF CC[C@H](CO)Oc1cc(NCc2cccc(OC)c2)c2ncn(C(C)C)c2c1 61948976 CYOKVGJAVZOKIF-QGZVFWFLSA-N 383.492 4.388 0 3 GIAF CCOc1cccc(-c2nc(CN(C)[C@H]3CCN(Cc4ccccc4)C3)co2)c1 72183896 HXDUZVRHBDSAAS-QFIPXVFZSA-N 391.515 4.447 0 1 GIAF COc1cc(C(=O)c2csc(Nc3ccc(C)cc3)n2)cc(OC)c1OC 72114926 RFUBLMVNPXRJPA-UHFFFAOYSA-N 384.457 4.452 0 1 GIAF CC(=O)N1c2ccccc2C[C@@]1(Cc1ccccc1)C(=O)OCc1ccccc1 84758342 NGCUUQPCZYTOLO-VWLOTQADSA-N 385.463 4.321 0 1 GIAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)NC(C)C)cc1 95591730 RFYXXAAUMNFXQX-UXKPLKHMSA-N 381.472 4.421 0 1 GIAF O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2cc(OCCO)ccc21 95572962 LDBMJCSVGMMCCI-UHFFFAOYSA-N 395.405 4.409 0 1 GIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cccc(C(F)(F)F)c12 587510738 XSUPIAMVMSCIRO-HXUWFJFHSA-N 387.357 4.397 0 1 GIAF O=Cc1ccc(OCc2occc2-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 586900375 HPGJDPCWOSDQAU-UHFFFAOYSA-N 390.395 4.376 0 1 GIAF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccccc2[nH]1 587141694 UQHWXPULZUPIFS-KRWDZBQOSA-N 395.887 4.421 0 1 GIAF CCOC(=O)CNc1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 587225696 RJINABPYGBYLPG-UHFFFAOYSA-N 392.228 4.107 0 1 GIAF COc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587555599 HCUPKZHSSPZSGS-UTKZUKDTSA-N 384.334 4.382 0 1 GIAF N=c1cc[nH]cc1-c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587249140 HQXONUINQWIVSN-UHFFFAOYSA-N 397.360 4.309 0 1 GIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)c(C)nc2[nH]1 586964113 UZDVQDZXODNQJK-LLVKDONJSA-N 394.298 4.076 0 1 GIAF COC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2cc(Cl)c(F)cc12 587631112 GWJZRLALBYUFRV-UHFFFAOYSA-N 390.798 4.173 0 1 GIAF Cc1nc2c(C)cccn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585586 DUVOEROYAWLKIC-GCJKJVERSA-N 386.407 4.360 0 1 GIAF COC(=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1OC 587091334 IRVPEUALBJMMRG-UHFFFAOYSA-N 397.378 4.075 0 1 GIAF COCCOc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCO2 587534752 FVWDNHHOQUHOOL-HXUWFJFHSA-N 396.439 4.026 0 1 GIAF CC(=O)c1cc(N)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587744721 IFYQFSNJDSSMNS-GIGQVBGESA-N 391.284 4.171 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc2ccccc2o1 587867811 CBROMWIUINDBSE-UHFFFAOYSA-N 387.317 4.407 0 1 GIAF C[C@@]1(c2cccc(O)c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334634 JVAUHWOFYRGPNT-KNQAVFIVSA-N 379.387 4.093 0 1 GIAF Fc1cccc2c1[C@H](c1cnc3cc(Br)ccn13)N1CCC[C@H]1C2 963103714 LKCMWBDWWYRCHU-LIRRHRJNSA-N 386.268 4.346 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@@H](c2csc(Br)c2)N1)C(F)(F)F 962719126 XKBAOIYEDBUTIW-DGCLKSJQSA-N 390.224 4.246 0 1 GIAF Cc1c(O)ccc2c1[C@@](Cc1cccc(Cl)c1)(CC(C)C)N[C@H](C(=O)O)C2 963556327 WNEOZSGMJMDRAV-AVRDEDQJSA-N 387.907 4.437 0 1 GIAF COc1cc2c(cc1OC)[C@](CCCN(C)C)(Cc1ccccc1)N(C)[C@H](C)C2 962629665 IDMGOULNKMNFDW-CLOONOSVSA-N 396.575 4.360 0 1 GIAF C[C@]1(c2cc(F)cc(Cl)c2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962671768 SRGRZMADOOXHQJ-VXKWHMMOSA-N 398.865 4.389 0 1 GIAF Cc1cccc([C@@]2(c3ccc(Cl)nc3)c3ccsc3CCN2C(N)=O)c1 962699339 IRGJPGAPOCNHRD-HXUWFJFHSA-N 383.904 4.334 0 1 GIAF CCn1cc(CN2Cc3ccccc3O[C@@H](c3ccccc3OC)C2)c(C)n1 12020733 VBFYYJSKQTUUEY-HSZRJFAPSA-N 377.488 4.356 0 1 GIAF OCC1(CCc2ccccc2)CCN(Cc2cc(F)ccc2-n2cccn2)CC1 12713858 YBUUWIMATLDIMS-UHFFFAOYSA-N 393.506 4.219 0 3 GIAF COc1cccc(C(=O)[C@@H]2CCCN(Cc3cn(C)nc3-c3ccccc3)C2)c1 13594373 HAJFFNDMCOMJNM-HXUWFJFHSA-N 389.499 4.191 0 3 GIAF CCc1cccc(-c2cnc(Nc3cc(S(=O)(=O)CC)ccc3OC)o2)c1 13611318 OWRNZCGLKGYOBT-UHFFFAOYSA-N 386.473 4.450 0 1 GIAF Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CCCc2ccccc2)CC1 13799229 CRYGIUKJRPGSDW-UHFFFAOYSA-N 375.516 4.422 0 1 GIAF CCN(CCNC(=O)Nc1ccccc1Br)c1ccc(F)c(F)c1 14973951 GLRHCRSJPGDQOO-UHFFFAOYSA-N 398.251 4.375 0 1 GIAF Cc1ccncc1N1C[C@H](C(F)(F)F)N(c2ccc3ncsc3c2)C1=O 169706609 DGYDDXHGXNDZMD-OAHLLOKOSA-N 378.379 4.377 0 1 GIAF C[C@H]1CN=C(c2ccc(Cl)cc2)c2c3ccc(C(F)(F)F)cc3[n+]([O-])n21 206060872 CZQMNMFEZWMHOS-JTQLQIEISA-N 379.769 4.359 0 3 GIAF O=C(Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1)c1ccccc1 164790888 HKMABNRLBNYCHW-UHFFFAOYSA-N 380.411 4.267 0 1 GIAF C1=CN2C[n+]3cccc(OCc4ccccc4)c3N=C2C(OCc2ccccc2)=C1 1612304 GUDHCYATCOIYOY-UHFFFAOYSA-N 396.470 4.484 0 1 GIAF C[C@H](O)c1cccc(NC(=O)NC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1 28708723 IEQMONWYNYHMBI-BPXKWBHBSA-N 397.563 4.318 0 1 GIAF OC(O)(c1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1)C(F)(F)F 28817559 JUVZSIQOWXKOEO-UHFFFAOYSA-N 391.176 4.091 0 1 GIAF CO[C@H](C)C(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@H]1C 34114412 ZKHJYMVGYOEDCF-VIZSFHNOSA-N 380.532 4.008 0 1 GIAF COc1ccc([C@H]2CC(=O)N(c3cc(N)cc(F)c3)C2)cc1OC1CCCC1 38795668 NKPGDFZEVDUVMO-HNNXBMFYSA-N 384.451 4.258 0 1 GIAF Cc1cccc(CNc2nc(C)cc(NCCC(=O)Nc3ccccc3)n2)c1 45334868 QDXMCVJPENDRBM-UHFFFAOYSA-N 375.476 4.146 0 1 GIAF Cc1cccc(-c2nc(N3CCC(O)CC3)ncc2-c2nc(C)c(C)s2)c1 82173463 ALPNOXIFIMERAR-UHFFFAOYSA-N 380.517 4.153 0 1 GIAF Cc1ccccc1NC[C@@H](O)COc1ccc2c(c1)OC1(CCCC1)CC2=O 95588130 DUSBTELZGAFTNM-QGZVFWFLSA-N 381.472 4.125 0 1 GIAF O=C(c1cccnc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@@H]21 95878828 IJAZKBPSGPFQSG-UEVCKROQSA-N 389.499 4.029 0 1 GIAF S=c1oc(-c2ccc3c(c2)OCCO3)nn1CNc1ccc(Cl)cc1 96935193 YJMRDGPJLRJYCK-UHFFFAOYSA-N 375.837 4.367 0 1 GIAF NC[C@H]1CN(c2ccc(C(F)(F)F)cc2)C(=O)C[C@@H]1c1cc(F)ccc1F 169312403 OTDBHGLRLRKILV-NHYWBVRUSA-N 384.348 4.079 0 1 GIAF COc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2ncsc2n1 219028501 PAZFYALTXJPKOL-UHFFFAOYSA-N 388.456 4.046 0 1 GIAF COC(=O)CC(C)(C)C(=O)[C@H]1CC[C@H]2C1=CC[C@@H]1c3ccc(N)cc3CC[C@@H]12 238787189 OGTSVFPURVFERY-HDAAZOAOSA-N 381.516 4.430 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@H](O)CC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255214605 HCXLGXVBNGIUAC-ROSQTPMLSA-N 390.564 4.398 0 1 GIAF Cc1ccnc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc12 587027543 RRINRYLTDMBFMC-ZACQAIPSSA-N 380.517 4.403 0 1 GIAF Fc1c(F)c(-c2nc3ccc(Br)nc3[nH]2)c(F)c(F)c1S 587134137 IXEKHIBRANBPJH-UHFFFAOYSA-N 378.148 4.233 0 1 GIAF CCCOc1cc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2cc1Br 587149068 COIHHFUOZQXZMC-INIZCTEOSA-N 396.235 4.441 0 1 GIAF O=C(CCc1nc2ccc(F)c(Br)c2[nH]1)Nc1cccc(F)c1 587163151 NJNHZONHNZBZOH-UHFFFAOYSA-N 380.192 4.175 0 1 GIAF COc1cc2c3c(c1)O[C@@](Cc1ccncc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427951 KJMIFANGGAFBEZ-CVDCTZTESA-N 375.399 4.115 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4cccc(C(=O)O)c41)[C@@H](C2)C3=O 587448277 CGUARLNNLKDCGT-MHECFPHRSA-N 384.387 4.065 0 1 GIAF CCCOc1cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc2[nH]c(=N)oc12 587473557 XOUYDLZFDLOEPG-SFHVURJKSA-N 396.443 4.394 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587476361 ORXQKFPTGNCIQQ-XMSQKQJNSA-N 389.492 4.468 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CSCC(=O)O)(c1ccccc1)CC2=O 587492262 OBZAUGCGDWWLDW-NRFANRHFSA-N 386.469 4.023 0 1 GIAF C[C@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587518285 DXUVHNCPPPZLOH-XMMPIXPASA-N 377.484 4.283 0 1 GIAF COc1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587546648 JUASDJKVYFLWBL-UTKZUKDTSA-N 398.798 4.463 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12COc1ccc(Cl)cc1C2 587551574 HEPHZLQWQIFNCR-KNQAVFIVSA-N 394.810 4.381 0 1 GIAF COc1cccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602128 WJVHISIHDVGFIU-OFNKIYASSA-N 376.408 4.364 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C[C@H]1CCCCC12OCCO2 587606419 CJKYWWLZXOVUKV-XPGWFJOJSA-N 396.439 4.046 0 1 GIAF O=C(O)Cc1c(-c2ccc(I)cc2)[nH]c2cccc(F)c12 587635427 LEVYIZKSDWMOFF-UHFFFAOYSA-N 395.171 4.206 0 1 GIAF Cc1c(Cl)nnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C 587658625 QEQXGYXXHSBILW-UHFFFAOYSA-N 380.810 4.252 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3nc(Cl)ccc32)N1 587707200 UPZIUMOERIVBLD-HUTHGQBESA-N 396.691 4.230 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C3CCCC3)C2)N1 587771700 WTVFTZWDWSPFBI-BFUOFWGJSA-N 381.333 4.356 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1c(F)cc(C(=O)N(C)C)cc1F 587871039 OCRAXIRBDSCWOX-UHFFFAOYSA-N 389.377 4.057 0 1 GIAF CCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(OCc2ccccc2)cc1 617988259 SPBMOTCJZWXWED-HQMFNGAOSA-N 382.485 4.462 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1cc3ncnc(Cl)c3s1)N(C)[C@@H](C)C2 962561668 DQUYBFLXATXJED-DYZYQPBXSA-N 389.908 4.328 0 1 GIAF COc1ccc2c(c1OC)[C@@H](c1cn(-c3cccc(F)c3)nc1C)N(C)[C@@H](C)C2 962621564 HIZRKIFKGABOOW-RCDICMHDSA-N 395.478 4.303 0 1 GIAF COc1ccc2c(c1OC)[C@H](c1cc(C)cc(C)c1-n1cccn1)N(C)[C@@H](C)C2 962625607 JMAKFIXKAWSUQR-SBUREZEXSA-N 391.515 4.472 0 1 GIAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@H]2c1cc2cccnc2[nH]1 962959991 RNSRHXUVLLWVKW-GOSISDBHSA-N 387.405 4.323 0 1 GIAF COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3n2C[C@@H](C)OCC3)cc1F 1772584696 FGHNRDZSSGLQRL-OAHLLOKOSA-N 381.451 4.338 0 1 GIAF Cc1cc2nc(N3CCNCC3)n(Cc3ccc(C(F)(F)F)cc3)c2cc1C 1857761715 KEAHSTYYKFEGDO-UHFFFAOYSA-N 388.437 4.130 0 1 GIAF Cc1c(C(=O)NN2C(=O)[C@H](C)SC23CCCCC3)[nH]c2ccc(Cl)cc12 1911586540 WOGZKFHZSWALOW-LBPRGKRZSA-N 391.924 4.399 0 1 GIAF COc1cc2c(cc1O)-c1ccc3cc4c(cc3c1N(C)[C@@H]2CC(C)=O)OCO4 2356490028 TYFAVLUGUPAHGU-GOSISDBHSA-N 391.423 4.420 0 1 GIAF CCOC(=O)C(=C1Nc2ccccc2N1)n1c(-c2cccnc2)nc2ccccc21 100612388 JEFLZNGSDZSGGG-UHFFFAOYSA-N 397.438 4.325 0 3 GIAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC[C@@H]1[C@@]2(C)CC[C@H](O)[C@@]1(C)CO2 2356478407 CTQYKKGZEKTFJL-HIGZBPRKSA-N 398.499 4.464 0 1 GIAF CNCc1cc(O)ccc1C[C@@H]1CCC[C@@H]([C@@]23CC[C@@H]([C@H](N)C2)C(C)(C)O3)C1 2356360289 CKLMHNRBOGLRQK-QWGGEYNZSA-N 386.580 4.136 0 1 GIAF CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(CCOc1ccccc1)CC2 7991988 BNTMPFZIPSRSDY-SFHVURJKSA-N 380.532 4.323 0 1 GIAF ClCC[N+]1=NN(c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)CC1 59474059 MLLNHLNRUSPHJF-UHFFFAOYSA-N 388.282 4.465 0 1 GIAF CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(-c3ccccc3)nn2c1O 101517759 MDQIMUXOLCEQCN-UHFFFAOYSA-N 387.439 4.183 0 1 GIAF CCCCN(C)C(=O)c1sc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1C 61895902 FXPKQVFUTRPOQH-UHFFFAOYSA-N 387.332 4.445 0 3 GIAF COc1cc(O)c2c(c1)C=CCC[C@@H]1OC(C)(C)O[C@H]1CCC[C@@H](C)OC2=O 2356551139 SDVPEAWQLMSJHY-CCKFTAQKSA-N 390.476 4.444 0 1 GIAF CCC(=O)Oc1c2c(c(COC(=O)C(C)C)c3c(C)coc13)[C@H](C)C[C@@H](O)C2 13300466 CDUOHYMZUNXCQA-TZMCWYRMSA-N 388.460 4.166 0 1 GIAF biogenic O=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c21 40938778 MIKXASQPSQODNL-UHFFFAOYSA-N 389.499 4.333 0 1 GIAF CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(NC(=O)C4CC4)c3CC[C@@H]21 45371328 VQPCZLCMOKJHPB-RBBKRZOGSA-N 396.918 4.329 0 1 GIAF Cc1ccc(S(=O)(=O)N2Cc3ccccc3OC[C@H]2Cc2ccccc2)cc1 45351667 PHZKOPPXMWCTQE-OAQYLSRUSA-N 393.508 4.190 0 1 GIAF C/C(=C/SCC(C)C)n1c(C(=O)c2ccc(Br)cc2)noc1=O 45495830 KKEAHXIBZKUJGX-LUAWRHEFSA-N 397.294 4.037 0 1 GIAF CCCc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1C[C@@H]1CCCO1 82188741 GKHUDCLHABDYGC-WMZOPIPTSA-N 379.508 4.173 0 1 GIAF Cc1cccc(CN(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2cccc(Cl)c2)c1 40943685 HQHRJJYHKDTGSZ-YLJYHZDGSA-N 386.923 4.197 0 1 GIAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ccc(F)c(F)c3)C[C@H]2CS1 221036913 XJBRDDBFZPRIQW-JVMOKEISSA-N 396.409 4.278 0 1 GIAF O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(Nc2ccccc2)n1 82086360 IEGYVRCASACSPV-UHFFFAOYSA-N 392.528 4.281 0 1 GIAF COc1cc(O)c([C@@H](CC(=O)N2CCC[C@@H](C)C2)c2ccccc2)c(OC)c1 198043351 OPRCOTADQGJAND-APWZRJJASA-N 383.488 4.190 0 3 GIAF O=C(NCc1ccc(-c2cc[nH]c(=O)c2)cc1F)c1c(Cl)cccc1Cl 147260082 JJLNHGOWLAKMNE-UHFFFAOYSA-N 391.229 4.418 0 1 GIAF C[S@](=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(C3=CCOCC3)[nH]2)cc1 96923867 GKDZPOYCEMCTRX-HHHXNRCGSA-N 382.460 4.424 0 1 GIAF CN[C@H](CCSC)c1nccc2c1[nH]c1ccc(O)c(Br)c12 238750921 VHEJLRVZDXYLCG-LLVKDONJSA-N 380.311 4.198 0 1 GIAF COc1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2n1 587128760 PPCUGWMFMATSKY-RXMQYKEDSA-N 377.729 4.301 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(N(C)C)cc1)CC2=O 587471028 XXNYIJDDBVBLCW-HSZRJFAPSA-N 396.487 4.163 0 1 GIAF COc1cccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1O 587787566 LRQGEAXCYLOEHB-UHFFFAOYSA-N 398.054 4.469 0 1 GIAF CC(C)CCOC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798127 XMNKZRYKVVZOBR-KZULUSFZSA-N 386.305 4.317 0 1 GIAF Cc1cc(-n2cccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)no1 587754728 MHTAIISHVZYHES-MGNBDDOMSA-N 390.256 4.299 0 1 GIAF Fc1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1F 587018708 LWSQEFUZWNVGIK-UHFFFAOYSA-N 385.395 4.327 0 1 GIAF N=c1nc(O)c2nc(-c3oc4ccccc4c3CSc3cccs3)[nH]c2[nH]1 587010961 KGVLIPTYSSMRLA-UHFFFAOYSA-N 395.469 4.238 0 1 GIAF COc1ccc2c(c1)CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587809121 PTIQLMWKDHECAO-JEOXALJRSA-N 376.269 4.321 0 1 GIAF CC(C)[C@@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587197316 DXBLQJCDZOTNAT-SFHVURJKSA-N 399.422 4.366 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(C(F)(F)F)N1 587710302 ROYMRRKAADAUNS-RFAUZJTJSA-N 389.190 4.323 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](C(F)(F)C(=O)OCC)C1)CC2=O 587460694 IXRVLHORAUZRPY-RBZFPXEDSA-N 396.430 4.437 0 1 GIAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)cc(Br)c2[nH]1 587092764 APPIRIOIJDIVAA-YFKPBYRVSA-N 384.583 4.108 0 1 GIAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(C)c(C)cc2[nH]1 586980103 IVGNKMDMBBHGQC-UHFFFAOYSA-N 389.249 4.342 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)OCO3)N1 587831837 AEKFDHYOABYJNX-YPMLDQLKSA-N 378.241 4.115 0 1 GIAF CN(CCCNC(=S)n1nc2cc1Oc1ccc(F)cc1-2)c1ccccc1 587876861 VKBQUKZFBVKAHF-UHFFFAOYSA-N 382.464 4.044 0 1 GIAF CCn1ncc(Cl)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545010 FYNKLVBQYIZGTK-OXQOHEQNSA-N 384.819 4.139 0 1 GIAF COc1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2n1 586960244 NOYMIWANHXGCJP-MHZLTWQESA-N 377.469 4.005 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)c[nH]c3nccc2-3)N1 587732515 MPYAJHMZSWOZDE-PWJLMRLQSA-N 378.220 4.179 0 1 GIAF C[C@@]1(c2cc(Cl)ccc2Br)N[C@H](C(=O)O)Cc2cccc(F)c21 962901950 USOPOFKGHIJWFO-YOEHRIQHSA-N 398.659 4.104 0 1 GIAF COCCCN1CCc2ccc(OC)cc2[C@]1(C)[C@@H](C)CCCCC(=O)OC 961319316 HPKPOHSQALMQJN-MBSDFSHPSA-N 391.552 4.175 0 1 GIAF CSc1ncc([C@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)[nH]1 962957222 MRJRWTDRXUTWJB-QGZVFWFLSA-N 397.466 4.065 0 1 GIAF Cc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccc(F)cc4)CC3)nc12 5892749 LOFDUAJQRUYHBR-UHFFFAOYSA-N 377.463 4.093 0 1 GIAF in-vivo COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 169723997 RSKNYKPRUPTLBG-NVXWUHKLSA-N 395.858 4.442 0 1 GIAF O=C(O)Cc1ccc(NC(=O)c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1 164800415 QUQAZLKNKWMGTE-UHFFFAOYSA-N 389.386 4.248 0 1 GIAF CCCCN[C@@H](c1cc2cc(OC)ccc2[nH]c1=O)P(=O)(OCC)OCC 1857764701 YOKHNPYPTMIZPR-LJQANCHMSA-N 396.424 4.191 0 1 GIAF CN(c1ccc(-c2cc3cccnc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1 1857767657 NBDLBNPFPBBYKY-UHFFFAOYSA-N 391.519 4.143 0 1 GIAF O=C(O)Cc1cccc2c1O[C@@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)C2=O 1646827 YELWIFSXUUARFF-RDPSFJRHSA-N 386.403 4.129 0 1 GIAF O=S(=O)(c1ccccc1)n1ccc([C@H](c2ccc(Cl)cc2)n2ccnc2)c1 5974654 WMBBQLXZMKJJOL-FQEVSTJZSA-N 397.887 4.213 0 1 GIAF O=C(NCc1ccccc1)[C@@H]1CCCN(c2nc3ccccc3n3cccc23)C1 6782604 GXDVICUCVKCBQY-LJQANCHMSA-N 384.483 4.020 0 1 GIAF C/C=C(/C)C(=O)OC/C1=C\[C@H](O)[C@H](C(C)C)[C@@H](OC(C)=O)C/C(C)=C/CC1 15254821 VGTTVAAIDFWDEA-STIAHCHESA-N 378.509 4.117 0 1 GIAF CC(C)S(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 27422348 CQHDQCBQQBLKKO-UHFFFAOYSA-N 386.395 4.108 0 1 GIAF CCCCOc1ccccc1C(=O)n1c(C)c(CC(=O)O)c2cc(OC)ccc21 28374975 YRYWUFDCDFYVLK-UHFFFAOYSA-N 395.455 4.453 0 1 GIAF CSc1ccc(OCc2ccccc2)c(NC(=O)c2ccc(C(=O)O)cn2)c1 28523586 UAWITRURSRQJFN-UHFFFAOYSA-N 394.452 4.333 0 1 GIAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCNC(=O)Nc3ccc(C)cc3)ccc21 28565802 CYAXXSZDGPTFBI-CTNGQTDRSA-N 396.487 4.336 0 1 GIAF C/C=C/Cc1noc(N)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28569392 MOSPPSJYAWBHCQ-NSCUHMNNSA-N 380.288 4.355 0 1 GIAF CC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)Nc3cccnc3)cc2)no1 49110210 OOFUZZCWBWCQCK-UHFFFAOYSA-N 379.420 4.263 0 1 GIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(Cl)c1 58575626 BPWLPKFCGOGMMN-QGZVFWFLSA-N 377.868 4.090 0 1 GIAF COc1cc2ccc(=O)oc2cc1OCC(=O)Nc1ccc(C(C)(C)C)cc1 84726691 GAWQLIRDMPAENL-UHFFFAOYSA-N 381.428 4.117 0 1 GIAF Cc1ccc(NC(=O)Nc2cccc(Cn3nc(C)c(CC(=O)O)c3C)c2)cc1 96922303 NTEXPKMHUMPXOC-UHFFFAOYSA-N 392.459 4.128 0 1 GIAF Cc1cccc(C(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)c1 96922652 PCRYJPDCPDBGQL-UHFFFAOYSA-N 376.441 4.375 0 1 GIAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccc(O)c1 100704736 BTQMHHSLNLPEDT-CQSZACIVSA-N 383.473 4.460 0 1 GIAF COC(=O)C1(N2CC3=CCCC=C[C@H]3[C@@H]2[C@@H](O)Cc2ccccc2)CCCCC1 139264229 RXHRLQROHXGSIO-XPWALMASSA-N 395.543 4.043 0 1 GIAF CCC(CC)(NC(=O)c1ccc(C2CC2)c(-c2cccc(Cl)c2)n1)C(=O)NC 143464859 YRUGBTOSYHSDSR-UHFFFAOYSA-N 399.922 4.314 0 1 GIAF NC(=O)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1 205829821 VPLSDHGYIYFKRM-UHFFFAOYSA-N 390.255 4.389 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3C[C@@H](O)[C@]12C 253995333 KXGVEGMKQFWNSR-IITLOEPISA-N 392.580 4.478 0 1 GIAF COC(=O)c1cc(-c2ccc(-c3ccc(O)cc3)c(OC)c2OC)ccc1O 299851787 JTDVYRXMTGBUHN-UHFFFAOYSA-N 380.396 4.236 0 1 GIAF CCCCn1c2c(c3cc(-c4ccc(S(C)(=O)=O)cc4)ccc31)CNCC2 299869020 SZHIVYRWAORKKD-UHFFFAOYSA-N 382.529 4.158 0 1 GIAF CC(=O)N[C@H](Cc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Br)cc1 586984260 DJNCAAKUJZCPSV-CQSZACIVSA-N 394.219 4.024 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(C)nccc3[nH]1)N2 587032308 SQWFACRDUXJMFI-NUBYWOLOSA-N 385.518 4.393 0 1 GIAF CC(C)(C)OC(=O)N(Cc1nc2cccc(C(F)(F)F)c2[nH]1)C[C@@H]1CCCO1 587197708 UFIZSYSBUNACOL-LBPRGKRZSA-N 399.413 4.498 0 1 GIAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(SC(F)(F)F)cc2[nH]1 587225228 NXTCGQMIIUHTCA-LLVKDONJSA-N 395.406 4.259 0 1 GIAF O=C1c2ccc(O)cc2O[C@](CO)(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587334908 MZHBIQPSMSUMCP-GMAHTHKFSA-N 396.389 4.003 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(=O)Oc3c(Cl)cc(Cl)cc31)O2 587379036 FXDGUWLXIBCPIA-GOSISDBHSA-N 378.211 4.054 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cn1nc(C(F)(F)F)cc1C1CC1)O2 587383260 RTVWOCGZIQXBQI-SFHVURJKSA-N 379.382 4.094 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(F)c1F)[C@@H](C2)C3=O 587424868 WRNPGGWCKSWCFP-BTDLBPIBSA-N 381.172 4.225 0 1 GIAF CCOC(=O)CCC[C@@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428346 MNUNOTHJEYVQMT-JPYJTQIMSA-N 398.430 4.211 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)cc1-n1cncn1)CC2=O 587461452 KIMFEUOSVKGXJX-LJQANCHMSA-N 383.835 4.285 0 1 GIAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1OC 587521439 CBKZJBXMBJYGAA-HSZRJFAPSA-N 382.456 4.472 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2nc(F)ccc12 587572153 TULDOESHMKCIPF-PXNSSMCTSA-N 376.343 4.111 0 1 GIAF COC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614347 RZBMRAJOGBCKQN-LAUBAEHRSA-N 396.420 4.117 0 1 GIAF Cc1cc(-n2cccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)no1 587757016 UCUBENQVPJUYCF-MLCYQJTMSA-N 390.256 4.299 0 1 GIAF Cc1[nH]c(C(=O)O)c(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587791576 MCUWPWBLNKVVBM-NTCNTBNZSA-N 395.272 4.029 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(N)cc3Cl)n2)cc1 587924289 QDRZUQFLJWKOHL-UHFFFAOYSA-N 379.894 4.084 0 1 GIAF COc1ccc(C[C@H](C)c2nc3ccc(Br)nc3[nH]2)cc1OC 587925198 CKQCPPOOYGCQNZ-JTQLQIEISA-N 376.254 4.084 0 1 GIAF COc1ccccc1CC(=O)c1nc2c(F)c(F)c(Br)cc2[nH]1 587929169 GMSGOWRCVCPRFI-UHFFFAOYSA-N 381.176 4.038 0 1 GIAF CN(C)S(=O)(=O)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587969730 VQXDMKCSOWTTMP-RAXLEYEMSA-N 377.469 4.137 0 1 GIAF Brc1cccc(Nc2nc3c(N4CCCC4)ncnc3s2)c1 653822866 YQTYPSIBGJUFHX-UHFFFAOYSA-N 376.283 4.193 0 1 GIAF FC(F)(F)Oc1ccc(Oc2cncc3sc(-c4nn[nH]n4)cc23)cc1 653857042 SSFIJHKAGFQDEJ-UHFFFAOYSA-N 379.323 4.167 0 1 GIAF CCOc1cc([C@]2(C)c3c(ccc(OC)c3OC)C[C@H](C)N2C)ccc1OC 962621016 AYVBCEPWXZSNHZ-NPMXOYFQSA-N 385.504 4.251 0 1 GIAF CC1(C)C[C@H]([C@]2(Cc3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)CCO1 962918487 IDDLITFVODMXEV-ZHRMCQFGSA-N 397.490 4.068 0 1 GIAF CC1([C@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)CCOCC1 962960141 SBOBZHJTZTVNKC-LJQANCHMSA-N 383.454 4.389 0 1 GIAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]12CCC[C@@H]2C(C)(C)C 963134387 ALIQOHODQLDOHH-MNVSYLFESA-N 394.537 4.431 0 1 GIAF CC[C@@]1(C2CCCC2)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963150158 QNHCMSXHYJBQOK-IFXJQAMLSA-N 380.510 4.185 0 1 GIAF CN1CCc2cnn(C)c2[C@@H]1c1sc(Sc2ccccc2)nc1Cl 963956606 ZBBYUCWBXXYNEW-CQSZACIVSA-N 376.938 4.259 0 1 GIAF O=C(O)[C@H]1C[C@@H](C2=CCCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 1772624315 KJGLZIKUPDWSJQ-IEBWSBKVSA-N 382.847 4.056 0 1 GIAF CC[C@H](C)C(=O)Nc1ccc(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 1772648154 PBGYEJMTFKGVDY-AWEZNQCLSA-N 392.455 4.267 0 1 GIAF Cc1cc(Br)cc2c1N[C@H](c1c[nH]nc1-c1ccccc1)NC2=O 1857630795 WTWMZUYQAZLDGC-KRWDZBQOSA-N 383.249 4.002 0 1 GIAF C[C@@H]1CC[C@@H]2[C@H](O)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC=C4C[C@H](O)CC[C@@]45C)[C@H]3CN2C1 2356505959 VJYPILHMXGYWKP-SSIBOXHZSA-N 399.619 4.237 0 1 GIAF CC(=O)OC[C@@]1(C)[C@H]2CC=C(C)[C@@H](CCC(C)=CC(=O)O)[C@@]2(C)CC[C@H]1O 2356682974 CBLDNPFHFIUPAK-NJKFVAIMSA-N 378.509 4.110 0 1 GIAF COCc1[nH]nc2c1[C@@H](c1cccc(C(F)(F)F)c1)N(c1ccccc1)C2=O 199731306 RFVPYEQMKDFLCS-GOSISDBHSA-N 387.361 4.325 0 3 GIAF COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 767597 JIQWZRDJDJEMDE-GGAORHGYSA-N 386.451 4.103 0 1 GIAF O=C(Cc1c(C(=O)O)[nH]c2ccccc12)NCC1(c2ccccc2)CCCC1 2461804 ZWQQOSPFONLTKN-UHFFFAOYSA-N 376.456 4.037 0 1 GIAF C[C@H]1CCCN(Cc2cn3c(-c4ccc(Br)cc4)nnc3s2)C1 2467085 QLPBPRGDYQDIBR-LBPRGKRZSA-N 391.338 4.452 0 1 GIAF O=C(Nc1ccc(F)cc1)[C@H]1CCCN(c2cnnc3c(Cl)cccc23)C1 6724958 FNHIUXQRARZAGP-ZDUSSCGKSA-N 384.842 4.277 0 1 GIAF CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)C(C)C)CC2)cc1 13444641 UVFIYINSVIEJKT-UHFFFAOYSA-N 388.552 4.019 0 1 GIAF O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2ncccc2F)CC1 13797241 SYLXGUFLHGNJCP-UHFFFAOYSA-N 396.293 4.170 0 1 GIAF CO[C@@H](C)C(=O)N(c1ccccc1)[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C 26735654 ZKHJYMVGYOEDCF-SXWKCWPCSA-N 380.532 4.008 0 1 GIAF O=C1CS[C@@H](c2cnccc2-c2ccc(Br)cc2)N1C1CC1 28819540 RYKMVCQKRUDEGD-KRWDZBQOSA-N 375.291 4.248 0 1 GIAF COc1ccccc1-n1cc(Cn2c(-c3cccc(F)c3)nc3ccccc32)nn1 40422832 PGTLHMBVLIBZCY-UHFFFAOYSA-N 399.429 4.480 0 1 GIAF COC(=O)c1ccc2c(c1)c1c(n2CCCOc2nc(C)cc(C)n2)CCCC1 73158379 BBEIOODQYCQKAB-UHFFFAOYSA-N 393.487 4.183 0 1 GIAF CC(C)(C)c1ccc([C@@H](CCN2CCN(c3ccccc3)CC2)OC(N)=O)cc1 95579482 ISIMBLSULWHZDG-JOCHJYFZSA-N 395.547 4.333 0 1 GIAF CC[C@@H](CO)Oc1cc(NC(=O)c2ccccc2OC)c2ncn(C(C)C)c2c1 95771731 LZTNCWJJOJDUBZ-HNNXBMFYSA-N 397.475 4.028 0 1 GIAF CCCCOC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl 98083578 OJGKUFOCLNFUAL-UHFFFAOYSA-N 379.815 4.180 0 1 GIAF CC(C)COCCCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166437915 FNGFSWWTNMUREQ-UHFFFAOYSA-N 395.503 4.027 0 1 GIAF CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261133246 LOMLSZYPQUWCNO-KESTWPANSA-N 399.579 4.021 0 1 GIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccccc5)CC4)[C@@H]3C=C12 504269163 ATTPURVGODAPOY-PLRSXRBSSA-N 392.543 4.043 0 1 GIAF biogenic CN1CCN(c2ccc3nc(-c4cccc(-c5ccccc5CO)c4)[nH]c3c2)CC1 586895030 LPCURCHSQOHWGB-UHFFFAOYSA-N 398.510 4.141 0 1 GIAF Cc1cc(Cl)cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c12 586955406 HZFNZYOCZDKSMJ-UHFFFAOYSA-N 396.299 4.240 0 1 GIAF N=c1nc(O)c2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2[nH]1 587060452 MIOPKZHRDYEMKD-UHFFFAOYSA-N 388.818 4.007 0 1 GIAF O=S(=O)(c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1)C(F)(F)F 587161669 PDMBDYPNPWEVTB-OLZOCXBDSA-N 384.354 4.267 0 1 GIAF COc1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587182091 DUYLUHVOZYYRGD-UHFFFAOYSA-N 384.604 4.497 0 1 GIAF COc1ccc2c(c1Br)[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 587369981 ACYWAZHPLQCMAZ-LJQANCHMSA-N 388.261 4.155 0 1 GIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1Br 587375573 DRIJMBJORJPBGS-AWEZNQCLSA-N 392.249 4.063 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2ccc(C(=O)O)cc21 587408398 MLRZOXLLALMNED-QHCPKHFHSA-N 387.391 4.290 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(Br)c1F)[C@@H](C2)C3=O 587422546 FELMOAFWCCMTOA-DYZYQPBXSA-N 381.172 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(OC)nc4)s1)[C@@H](C2)C3=O 587452695 SUWLWMKTITVJIY-LHSJRXKWSA-N 379.437 4.316 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCN(C)C)(c1ccc(OC)cc1)CC2=O 587467600 FLAZIPYQZDFKDQ-HSZRJFAPSA-N 383.488 4.166 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(CC(=O)OCC)cc1)CC2=O 587482620 PJTOEYXCZQONGH-QHCPKHFHSA-N 382.456 4.331 0 1 GIAF Cn1c(C(=O)O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515087 JGCKSBANHKTBQC-IBGZPJMESA-N 375.424 4.462 0 1 GIAF Cc1cc(F)cc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n[nH]c12 587569815 MDVZARSYDVQXQZ-VGOFRKELSA-N 390.370 4.419 0 1 GIAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc1-c1ccccc1 587575200 DJZRVDIKARTINZ-NZQKXSOJSA-N 398.418 4.496 0 1 GIAF Cn1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1 587583701 WQVPPALMLRCQRA-ZJSXRUAMSA-N 398.418 4.496 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(-c2ccccc2)no1 587585548 FYIFCRRLPYERRZ-PXNSSMCTSA-N 386.363 4.145 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2C(=O)C(F)F)N1 587716192 IVUFRMVWQCQMEV-BHOZQUNFSA-N 390.243 4.342 0 1 GIAF COc1ccc(F)c(F)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587721972 XGVVONWLTJZRQU-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF COC(=O)c1cc(F)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587734716 VCJFMMVJJMWWGB-VVVCHXIZSA-N 396.231 4.138 0 1 GIAF Ic1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1 587781312 SUKOAIVRNHLZEX-QPJJXVBHSA-N 390.224 4.398 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@]3(CCCc4ccc(Br)cc43)c3cccc1c32 963030159 PVFJCYATFAINMN-SPLOXXLWSA-N 397.316 4.082 0 1 GIAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)nc3)ccc2n1)N1CC=CC1 1772582737 DYVRJIBLYNFXNG-UHFFFAOYSA-N 385.345 4.453 0 1 GIAF O=C(C[C@]1(O)CC[C@@H](Cc2ccccc2)CC1)Nc1ccc2nc(O)oc2c1 1772647445 KNBMOQSAHMMLCJ-MIRVZWSXSA-N 380.444 4.026 0 1 GIAF C[C@H](c1ccc(F)cc1)N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc21 1772649638 KWJOTUQSCIOUKF-CYBMUJFWSA-N 377.423 4.140 0 1 GIAF Nc1ncccc1-c1cc(Cc2ccc(OCCc3ccccc3F)nc2)no1 1857586665 YJQVHCUBWRYJLC-UHFFFAOYSA-N 390.418 4.065 0 1 GIAF CC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)CC[C@H](O)C[C@H](O)C=CC=Cc1ccccc1 2356552199 IKMNWINZTIFDLH-UVFBAWLLSA-N 384.516 4.292 0 1 GIAF C[C@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356628345 PGZROPJTNZDXFV-GEXMSYPBSA-N 390.656 4.496 0 1 GIAF C[C@@H](C=CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 2356853364 RFZOTNNDUHYGNN-UDXOTUETSA-N 390.564 4.254 0 1 GIAF CC(=O)c1cccc(NC(=O)[C@@H]2Cc3c(-c4cccc(F)c4)ccnc3O2)c1 61930208 BBCBYHRRUMTLNF-FQEVSTJZSA-N 376.387 4.033 0 3 GIAF COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(C(C)C)cc1 4049645 XFVUZASLEVJHSY-IFMALSPDSA-N 380.488 4.055 0 1 GIAF Cc1nnn(C23C[C@@H]4C[C@H](CC(CC(=O)Nc5ccc(C)c(Cl)c5)(C4)C2)C3)n1 101356867 BNIKBLBYQYVLRK-AJHHTPGJSA-N 399.926 4.268 0 1 GIAF Cc1ccc(-c2cn3c(n2)CO[C@H](CNCc2cn(C)c4ccccc24)C3)cc1 2356302074 LKWNXPFJYWAESY-HXUWFJFHSA-N 386.499 4.039 0 1 GIAF CC(C)C1=CC[C@@]2(C)[C@H](C1)[C@](C)(OC(=O)C=Cc1ccccc1)[C@@H](O)C[C@H]2O 2356471169 QFWLJZPRVYMZJX-DTVVZGISSA-N 384.516 4.126 0 1 GIAF O=c1cc(C(F)(F)F)[nH]c2c(-c3c[nH]c4ccccc34)c(C(F)(F)F)nn12 102816996 DUPYDQMGLWCHFK-UHFFFAOYSA-N 386.255 4.209 0 1 GIAF Cc1ccc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)cc1N 28571103 DVBCSVHTGNDKIW-UHFFFAOYSA-N 381.432 4.348 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)CC[C@H](O)[C@](C)(O)[C@H]2[C@@H]1OC(=O)C=Cc1ccccc1 2356627964 BYIDNKQJXAGYPI-VUSXTGSHSA-N 386.532 4.206 0 1 GIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCOc2c(OC(F)(F)F)cccc21 38215517 XKXJVTYDGSUSKI-ZDUSSCGKSA-N 392.337 4.107 0 1 GIAF CCCCOc1ccc([C@]2(C34CC5CC(CC(C5)C3)C4)N=C(N)N(C)C2=O)cc1 34948158 JJIVIBNFUQPABT-QFJROZJJSA-N 395.547 4.064 0 1 GIAF Cc1cc(NCCc2ccc[n+]([O-])c2)nc(-c2ccc(Cl)c(Cl)c2)n1 84671909 QPELMPRUTVUQDD-UHFFFAOYSA-N 375.259 4.047 0 1 GIAF O=C(Nc1ccc(F)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 142756915 CUIYTKFZPQMPQP-UHFFFAOYSA-N 384.842 4.381 0 1 GIAF COc1cc(-c2nc(-c3cn(C)c4ccccc34)cnc2O)cc(OC)c1OC 299832003 JOGPBZFNAVWJTP-UHFFFAOYSA-N 391.427 4.034 0 1 GIAF COc1cccc(/C=C/n2cc(/C=C/c3cc(OC)c(OC)c(OC)c3)nn2)c1 653782602 RKYPQOADNJQTCN-BNFZFUHLSA-N 393.443 4.111 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586978894 BSAFYUFJHVLTQE-UHFFFAOYSA-N 394.656 4.146 0 1 GIAF COC(=O)c1cccc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c12 587044465 BXWXDYVLTOKRCS-UHFFFAOYSA-N 381.215 4.341 0 1 GIAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(O)nc(=N)[nH]c2[nH]1 587071692 MMUBPIOBYPMVFU-QESQTXLRSA-N 390.274 4.144 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3cccc(O)c23)N1 587805238 SNCIEQZHFJPXFQ-LZVRBXCZSA-N 375.241 4.399 0 1 GIAF Cc1c(-c2nc3c(I)cccc3[nH]2)oc2c1[C@H](O)CCC2 586904755 APFCOBPDHOZNBZ-LLVKDONJSA-N 394.212 4.106 0 1 GIAF Cc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2[C@@H](C(=O)O)n2cncn2)cc1 587632505 XOBXPIFYUBEIJK-SFHVURJKSA-N 384.798 4.201 0 1 GIAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc4ccccc4cc3[nH]2)cc1 586940746 FAWMZTXGYXRJDW-ZHACJKMWSA-N 377.469 4.115 0 1 GIAF COc1ccc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587721448 VUAGMXPXGQCSHW-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc4ccc(Br)cc4n1)[C@@H](C2)C3=O 587417469 KXHHFPKSTHAVEE-XOBRGWDASA-N 396.240 4.495 0 1 GIAF CC(C)(C)N1C[C@@H]2CC[C@H](C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596637 SCEAZRKIJPZBMN-JAKZTRLYSA-N 393.483 4.233 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cccc1I)O2 587387761 WLYLFQGCCHQKDA-AWEZNQCLSA-N 397.187 4.027 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1C[C@H]1c1ccccc1 587868905 WSUOICUQEMZZAP-LSDHHAIUSA-N 387.361 4.416 0 1 GIAF CCOc1ccccc1OCc1nc2ccc(I)cc2[nH]1 587780424 SWQGDHITFFIBCS-UHFFFAOYSA-N 394.212 4.145 0 1 GIAF Clc1ccccc1-c1nc(-c2nc3nc(Br)c[nH]c-3n2)co1 587063718 ZNYDZHUNKDBEFY-UHFFFAOYSA-N 376.601 4.042 0 1 GIAF Cc1[nH]c(C(=O)O)c(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791570 MCUWPWBLNKVVBM-ASCAZGACSA-N 395.272 4.029 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586915119 BAYHBGUPFSIRGG-NYHFZMIOSA-N 390.418 4.104 0 1 GIAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3ccc(Br)cc3[nH]2)n1 587117343 IVZICQIOYBNOMS-UHFFFAOYSA-N 385.187 4.466 0 1 GIAF C/C=C\CC[C@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808170 NNGRNWYKRMNCLA-BFCFHPCHSA-N 384.289 4.237 0 1 GIAF COC(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587846814 IFTFFDXISKQSPE-XLFHBGCDSA-N 398.297 4.234 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2csc3c2CCCC3)N1 962627686 HJVOZURMRZBENV-GUYCJALGSA-N 397.418 4.214 0 1 GIAF C[C@@]1(c2ccc(Br)c(N)c2)c2c(F)cccc2C[C@H]2CCCN21 963112098 WOWJBJYABQAFFF-AUUYWEPGSA-N 375.285 4.454 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(c1ccc3c(c1)OC(F)(F)O3)N(C)[C@@H](C)C2 962564760 HKFLJVZKXFPACF-YUNKPMOVSA-N 391.414 4.165 0 1 GIAF Cc1ccccc1NC(=S)N[C@@H](NC(=O)/C=C/c1ccccc1)C(C)(C)C 1772596045 CVNIQLHQWGKNHB-DAMWEWLOSA-N 381.545 4.483 0 1 GIAF Cc1c(CCN2CCN(c3ccc(F)cc3)CC2)c2cccc3c2n1CCC3 13740395 VKIBMKYNUBTMEC-UHFFFAOYSA-N 377.507 4.400 0 1 GIAF O=C1O/C(=C\c2ccc(O)c(Br)c2)C(c2ccc(O)cc2)=C1Cl 14688735 WXCBXFXYLBBMBQ-ZSOIEALJSA-N 393.620 4.408 0 1 GIAF COc1ccc2cc(CN3CCN(CC4CCCCC4)C[C@@H]3CCO)ccc2c1 169310662 BWAGGKXKIPXTBJ-DEOSSOPVSA-N 396.575 4.297 0 1 GIAF COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccccc2F)no1 4921256 IVVBPYLJTMQCKT-UHFFFAOYSA-N 375.787 4.109 0 3 GIAF Clc1cccc(-c2cnc3n2C[C@@H](CNCc2c[nH]c4ccccc24)OC3)c1 2356393792 SUZTUCCVPHDGSJ-GOSISDBHSA-N 392.890 4.373 0 1 GIAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)cc1 28004474 NHIQJWMLLFFTCU-UHFFFAOYSA-N 384.354 4.101 0 1 GIAF COC[C@@H]1COc2cc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)ccc2O1 28863849 SDULKPXJCMEOOI-LKQLOZHYSA-N 381.472 4.422 0 1 GIAF COc1cccc([C@@H](NC(C)=O)c2nc(-c3ccc(N(C)C)cc3)cs2)c1 61895383 BTXJEDDZZVDCKX-HXUWFJFHSA-N 381.501 4.110 0 3 GIAF CC(=O)Nc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccccc4)ccnc3O2)cc1 61907013 AOCFAWWJZQPHAP-HSZRJFAPSA-N 387.439 4.039 0 3 GIAF Cc1ccc2c(=O)c(C(=O)NC3CCCCCC3)cn(Cc3ccccc3)c2n1 35050290 FYDMSCKJDXXIOE-UHFFFAOYSA-N 389.499 4.206 0 1 GIAF CC[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O 34717804 LDGIYJVCIBYBFK-KRWDZBQOSA-N 380.444 4.320 0 1 GIAF COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801351 PMMRBDRYCOJUPT-FJLQFECOSA-N 375.553 4.275 0 1 GIAF COc1cc(N[C@H](C)CCCNC(=O)NC2CCCCC2)c2ncccc2c1 40848091 IQSWJNYCEAVKSC-MRXNPFEDSA-N 384.524 4.456 0 1 GIAF CCCCNC(=O)C1=C(C)Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 40413789 IAMJBNTYLSQYCP-KRWDZBQOSA-N 379.291 4.395 0 1 GIAF COCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2cccc(C)c2)n1 82147475 LBUGRDGTIXWNQI-UHFFFAOYSA-N 398.551 4.265 0 1 GIAF Nc1cnc(-c2ccc(CC3CCCCC3)c(Oc3nccc(N)n3)c2F)cn1 224576848 VEKNEPRBIOXIFA-UHFFFAOYSA-N 394.454 4.152 0 1 GIAF CCCCn1cc(C(=O)O)c(=O)c2cc(F)c(N(C)Cc3ccccc3)cc21 84622330 AUIGZZUBIQNQHU-UHFFFAOYSA-N 382.435 4.275 0 1 GIAF CCN1CC2=C(NC(=S)N[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 96282924 KEPFYNITFCEJQR-PRDNPTHXSA-N 397.494 4.157 0 1 GIAF CCCn1cc(C(=O)N[C@@H]2C(C)(C)[C@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 95575321 LEJQKYQWCJOEBD-NNIZRDCOSA-N 384.495 4.495 0 1 GIAF Fc1cc(Br)ccc1Nc1ncnc2c1sc1nccnc12 95574195 UDAWMUARRDRNEY-UHFFFAOYSA-N 376.214 4.280 0 1 GIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3cncc(C(F)(F)F)c3)C2)cc1 96172958 XFQNKDZCIJDVTB-CYBMUJFWSA-N 378.394 4.451 0 1 GIAF Oc1nc2sc(Cl)cc2c(N[C@H]2CCCNC2)c1-c1nc2ccccc2[nH]1 299829319 JCHWETQOLSPUBV-JTQLQIEISA-N 399.907 4.363 0 1 GIAF Cc1[nH]c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)O 587789444 DDHXPPVKEHYVJS-NTCNTBNZSA-N 395.272 4.029 0 1 GIAF COC(OC)c1oc2ccc(O)cc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587412767 OOAVCBFXGUWXEQ-KRWDZBQOSA-N 383.400 4.027 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCc4cc(F)cc(Br)c41)[C@@H](C2)C3=O 587429129 SUNGNAKMZDHOTG-ORAYPTAESA-N 389.220 4.186 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ncc(F)cc23)N1 587734377 RBGBRRIQFDIKPT-VPTHRUTESA-N 378.220 4.227 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCc4ccc(OC(F)(F)F)cc41)[C@@H](C2)C3=O 587422636 PMAKHHAJGVKOBU-HNAYVOBHSA-N 376.330 4.183 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4cscn4)cc1)[C@@H](C2)C3=O 587454057 UOZNZNVIRKHJFR-LAUBAEHRSA-N 379.437 4.219 0 1 GIAF C[C@]1(c2cc(O)ccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341045 XQASPVBKSZEVCA-IFMALSPDSA-N 379.387 4.093 0 1 GIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Br)cnc2[nH]1 587107636 DICCPLJNXSRULZ-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF Nc1ccc(/C=C/c2nc3c(Br)cnc(Br)c3[nH]2)cc1 587251950 RWPIDEHVRPVART-ZZXKWVIFSA-N 394.070 4.236 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccccc4OC)n1)[C@@H](C2)C3=O 587453785 ZCLAGAYWNKQMRJ-VBKZILBWSA-N 379.437 4.316 0 1 GIAF FC(F)(F)Oc1cc2nc(CCOCC3CC3)[nH]c2cc1Br 587784649 TUQATRXYGXUKJV-UHFFFAOYSA-N 379.176 4.193 0 1 GIAF Cc1cnc2[nH]c([C@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2c1 587030431 DXOYHSMHMJVFGT-DELQEKLWSA-N 385.518 4.393 0 1 GIAF Cc1ccc2c3c(c4c(nc13)[C@H](S(C)(=O)=O)CCC4)-c1ccccc1C2=O 587103402 WPQNGSUIDIAAGQ-QGZVFWFLSA-N 377.465 4.177 0 1 GIAF O=C(Cc1cccc(F)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657856 BSTYNDJSHXJGFR-UHFFFAOYSA-N 376.362 4.225 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cccn3)cc2)N1 587761211 UEOTVSJGVZTOII-BLVKFPJESA-N 386.268 4.398 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2csc(Cc3ccccc3Cl)n2)cc1 587923814 PXAQRLCVARYELM-UHFFFAOYSA-N 378.906 4.426 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3cccc(C(F)(F)F)c3[nH]2)C(F)(F)F)n1 587094999 XMSOTMXZROFIRK-ZDUSSCGKSA-N 395.328 4.339 0 1 GIAF C[C@@]1(c2ccc(N)c(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331558 DOJSUNWPAJEEIY-UNMCSNQZSA-N 379.387 4.093 0 1 GIAF CCOc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587384665 HIUWDVJBKYFPAJ-IBGZPJMESA-N 381.407 4.212 0 1 GIAF Brc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2n1 587006568 HFEJLSMDRYHOQC-UHFFFAOYSA-N 393.042 4.026 0 1 GIAF COc1ccc([C@@]2(c3cc(C)cc(C)c3)NCCc3nc4ccccn4c32)cc1 962983063 ADSSFZYDADCKJR-VWLOTQADSA-N 383.495 4.397 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@@]1(c1ccccc1)[C@H]1CCCNC1 962401200 WFPDRCVDNFSWBQ-GBXCKJPGSA-N 391.584 4.388 0 1 GIAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@H](C2CCC(F)(F)CC2)N1 962645056 UFIWWXVSRZIWJU-KGLIPLIRSA-N 379.325 4.051 0 1 GIAF S=C(NCc1ccccc1)Nc1ccc2ncnc(Nc3cccnc3)c2c1 1772655275 QMGWZQSPLHNVGG-UHFFFAOYSA-N 386.484 4.255 0 1 GIAF CCN1CCc2c(sc(NC(=O)C(C)C)c2[C@@H](O)c2ccccc2Cl)C1 13442812 MPECWFHBOWJSOY-SFHVURJKSA-N 392.952 4.456 0 1 GIAF CC(C)(C)c1cnc(CSc2cnc(NC(=O)CC3CCNCC3)s2)o1 13559936 RWUQSPFTCQLAQX-UHFFFAOYSA-N 394.566 4.049 0 1 GIAF CC1(C)C(=O)Nc2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc21 13822234 YYWPITZZELMSNP-UHFFFAOYSA-N 399.538 4.434 0 1 GIAF O=C(C[C@@H](C(=O)NC1CCCCC1)n1ccnc1)c1cccc2c1CCCC2 169333848 MSJXSLKFFKQYOV-NRFANRHFSA-N 379.504 4.025 0 1 GIAF C[C@H](N=O)c1ccc(S(=O)(=O)c2cc([C@@]3(C)COC(C)(C)O3)cs2)cc1 169713714 FLRIMLAMKYZYKH-KPZWWZAWSA-N 395.502 4.406 0 1 GIAF S=C(NCc1ccccc1)Nc1nccnc1OCc1ccccc1Cl 1857744733 MUMTXKDMFKEAEJ-UHFFFAOYSA-N 384.892 4.196 0 1 GIAF CC(=O)N1CCC(=C2c3ccc(Br)cc3CCc3cccnc32)CC1 576129 GXVUNIQJPJOXOM-UHFFFAOYSA-N 397.316 4.387 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N1CCOCC1 4216492 XOEYQTIHDBGUJN-OALUTQOASA-N 396.890 4.352 0 1 GIAF CC[C@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3ccc(OC(C)=O)cc3n21 13650950 ZVXSSUWTWPWRKA-INIZCTEOSA-N 391.423 4.479 0 1 GIAF Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@@H](c1ccc(O)cc1)SC(N)=N2 17222126 YAJGBQDBXNIWAB-MRXNPFEDSA-N 398.875 4.021 0 1 GIAF Cc1ccc(NCc2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)cc1 27305700 BJUXPYHJFXZOMO-UHFFFAOYSA-N 384.382 4.233 0 1 GIAF CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@@]1(C)Cc2cc(N(C)C)ccc2C1=O 40766795 OAOYTMIQVWMWNZ-MWTOMNCQSA-N 389.499 4.221 0 1 GIAF COC(=O)[C@@H]1C[C@@]2(CC=C(C)C)c3ccccc3N3C(=N)[C@H](C(C)(C)C)N1[C@H]32 40939447 DQFSQJPYWLYHIO-LANGDILFSA-N 381.520 4.080 0 1 GIAF CCCCN1C(=O)c2cccc3c(-n4cc(-c5ccccc5)nn4)ccc(c23)C1=O 71296414 JMJYRMROMFNZQH-UHFFFAOYSA-N 396.450 4.484 0 1 GIAF COCCn1c(C2CCCCC2)nc2c(NCc3cccc(F)c3)ncnc21 82181607 YYTMMGJARSKHQK-UHFFFAOYSA-N 383.471 4.272 0 1 GIAF CSCC[C@H](Nc1nc(-c2ccc(F)cc2F)cs1)C(=O)NC(C)C 82222813 YWCYFTVKERILGD-AWEZNQCLSA-N 385.505 4.147 0 1 GIAF O=C(O)CC[C@@H](Cc1ccc(O)cc1)NC(=O)CCCCCCc1ccccc1 87722052 KAVFSQJZFDKRAB-NRFANRHFSA-N 397.515 4.478 0 1 GIAF C[C@H](NC1=NS(=O)(=O)c2cc(C(F)(F)F)ccc2S1)c1ccccc1 95581414 RWHQZTKODGWNDG-JTQLQIEISA-N 386.420 4.207 0 1 GIAF c1ccc2c(c1)Nc1ncccc1-n1c(-c3ccc([C@H]4CCCN4)cc3)nnc1-2 96174131 GTGZEZDRKRIFBO-GOSISDBHSA-N 380.455 4.478 0 1 GIAF COc1cc(F)c(CNc2ccc(-n3nc(C(F)(F)F)cc3C)cn2)c(F)c1 149815339 WOLMWVRDIPTCLL-UHFFFAOYSA-N 398.335 4.493 0 1 GIAF COc1ccc([C@@H]2CC(=O)[C@H]3C(=Nc4ncnn4[C@@H]3c3ccccc3C)C2)cc1 169690503 OTESNLJUGSNVQZ-KNXBSLHKSA-N 386.455 4.034 0 1 GIAF CCCCCCC[C@H]1O[C@@H]1[C@H](OC(=O)c1ccccc1)C(=O)NC(C)(C)C 205630597 YUELGOMGDYIAPF-QYZOEREBSA-N 375.509 4.255 0 1 GIAF COc1ccc(CNc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1F 219657046 JKKOLPWDKQDVJE-UHFFFAOYSA-N 395.312 4.107 0 1 GIAF in-vitro CC[C@H](O)[C@@H](O)C[C@](C)(O)CCC/C(C)=C/C[C@H](O)[C@@H]1[C@@H](C)C=CCC1(C)C 238770727 LAWYTMOLUTUILN-UQJOBEJESA-N 396.612 4.365 0 1 GIAF Cc1cc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2cc1Cl 586955467 JDKYLAQHGUDHRD-UHFFFAOYSA-N 396.299 4.240 0 1 GIAF Clc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2c(Cl)n1 587006275 CJQFENOUIJAQBM-UHFFFAOYSA-N 383.036 4.342 0 1 GIAF CCOC(=O)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587008653 ZZUCEBLYQPJJTG-UHFFFAOYSA-N 385.221 4.045 0 1 GIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H]3SCCc4sccc43)nc1-2 587036790 NIPPMZRBNKRRTL-MRVPVSSYSA-N 376.816 4.417 0 1 GIAF CN(C)CCOc1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587061809 ZMSXVMMXWUALFC-UHFFFAOYSA-N 382.851 4.479 0 1 GIAF O=C1C[C@@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F 587151228 XONMNUAFUMJFNF-SECBINFHSA-N 397.212 4.059 0 1 GIAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587162193 FFVTWPKZRMBAMW-UHFFFAOYSA-N 386.308 4.360 0 1 GIAF O=S(=O)(Nc1ccccc1-c1nc2ccc(F)cc2[nH]1)c1ccc(F)cc1 587171444 OGFFAANPACOEAT-UHFFFAOYSA-N 385.395 4.309 0 1 GIAF CC(C)[C@H](c1nc2cncc(Br)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197625 KZZXNAIZMQFMPK-CYBMUJFWSA-N 383.290 4.284 0 1 GIAF Cc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCO2 587612141 UNFSKTHQJNBSON-UGKGYDQZSA-N 376.364 4.132 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C)c3ccccc32)N1 587771127 VRMZBBBCCFYKQX-BLVKFPJESA-N 375.285 4.206 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ncc[nH]2)N1 587790601 IRIJBOACOBVPRH-CWTRNNRKSA-N 386.268 4.137 0 1 GIAF Cc1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(S)n1 587845720 RXWGOXLRICUBIU-CQLKUDPESA-N 396.329 4.081 0 1 GIAF COc1nc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587852631 MJVYRVFQFZFDNT-UPONEAKYSA-N 391.693 4.330 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(C)n1 587863816 ACFRFTMYCOWDHZ-UHFFFAOYSA-N 375.350 4.360 0 1 GIAF COc1cccc(C(=O)c2ccc(-c3nc4cc5[nH]c(O)nc5cc4[nH]3)cc2)c1 587930118 HBULECPNNCVYET-UHFFFAOYSA-N 384.395 4.051 0 1 GIAF COc1ccccc1[C@@]1(OCC2CCCCC2)SC=C(C)n2c1noc2=O 653886024 ZUVNBPCLFQEAHW-HXUWFJFHSA-N 388.489 4.208 0 1 GIAF Cc1cc2c(cc1F)[C@@]1(CCNc3c(Br)ccc(F)c31)NCC2 962095085 UXLDHJDQLJEBKP-GOSISDBHSA-N 379.248 4.241 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1ccnc(-c3ccncc3)c1)N(C)[C@@H](C)C2 962560639 CZDPMNFWEVGHNT-WNSKOXEYSA-N 375.472 4.127 0 1 GIAF O=C(O)[C@@]1(c2cc(Cl)ccc2Cl)c2c(F)cccc2C[C@@H]2CCCN21 963098705 JAWBUFMJZDWYPD-ORAYPTAESA-N 380.246 4.481 0 1 GIAF CC(C)(C)OC(=O)N1CC(F)([C@H]2NCCc3c(Cl)cc(Cl)cc32)C1 963102701 FBPXWILTWDSANI-AWEZNQCLSA-N 375.271 4.139 0 1 GIAF C[C@@H]1C(=O)c2cc(C(=O)Nc3nccs3)c3c(c2O[C@@H]1C)C=CC(C)(C)O3 1772637767 BVDMOQMNUFYYTC-WDEREUQCSA-N 384.457 4.179 0 1 GIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(CCCO)cc21 1857600598 UFWFJJOQVPICSU-UHFFFAOYSA-N 386.495 4.265 0 1 GIAF CCCCCCN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(C)cc1 1857769999 XGKSEWXRINTVJM-UHFFFAOYSA-N 375.490 4.469 0 1 GIAF CC=C(C)OC(=O)[C@H](c1cc(OC)c2c(c1)OCO2)[C@@H](C)C(=O)OC(C)=CC 2356382527 DLOGZYOXRJGVDW-KDOFPFPSSA-N 390.432 4.077 0 1 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@H](OC(=O)C(C)C)CC[C@H](C)[C@@]12C 2356457658 XHTHGRNWGBDAAM-WLIVBKDHSA-N 376.449 4.009 0 1 GIAF CC(C)[C@@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2[C@@H]3OCC4=C3[C@](C)(CC[C@@H]4O)CC[C@@]12C 2356594702 ZAFBDBZIQHIUHT-QRJMVGPTSA-N 376.537 4.065 0 1 GIAF O=C(N[C@H]1CCc2ccccc2C1)c1cc2c(=O)oc3ccccc3c2s1 4563750 WRWYDWOUOPRSKY-HNNXBMFYSA-N 375.449 4.295 0 1 GIAF COc1ccc(N2C(=O)[C@@H](c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 13680146 YHEDEADKZYYKCL-OAQYLSRUSA-N 388.423 4.418 0 1 GIAF CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@@H]1CC(=O)Nc1cccc(O)c1 25429449 UHBGMGYDQVLRMP-DOTOQJQBSA-N 384.451 4.048 0 1 GIAF biogenic CC(C)CCN(C1=NCCN1)c1c(Br)cccc1Br 28228611 TXNPDKUFINQJIL-UHFFFAOYSA-N 389.135 4.023 0 1 GIAF O=C(Nc1nc(-c2ccccc2)ns1)N1CCOc2ccc(Cl)cc2C1 32573237 UTAKEOBZSXWJEB-UHFFFAOYSA-N 386.864 4.285 0 1 GIAF CCN(CC)CCC(=O)NCCCCCNc1ccnc2cc(Cl)ccc12 40836557 DHCXSIRSMITMJF-UHFFFAOYSA-N 390.959 4.319 0 1 GIAF COc1ccc(OC)c([C@@H]2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1 58534605 QMCLIYXZDAYHLF-QGZVFWFLSA-N 395.478 4.327 0 1 GIAF COc1ccc(C(=O)c2nc3ccccc3n2CC(=O)c2ccc(F)cc2)cc1 66076988 PQWCEHHEOKKCSH-UHFFFAOYSA-N 388.398 4.298 0 1 GIAF CC(C)(C)c1ccccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O 68247219 UZBVAUGQBORHTC-UHFFFAOYSA-N 388.870 4.152 0 1 GIAF O=c1cc(CN2CCCc3ccccc32)nc(SCc2ccc(F)cc2)[nH]1 72175307 PWJVFSJBUFQKSR-UHFFFAOYSA-N 381.476 4.154 0 1 GIAF CC1CCN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)CC1 82140844 PULPPTMLGYVIAH-UHFFFAOYSA-N 382.483 4.145 0 1 GIAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCCC2)nc1-c1ccco1 82142487 BOOPHJFWRJFHGW-UHFFFAOYSA-N 390.487 4.308 0 1 GIAF Cc1ccc(-c2nc3c(NCC(C)C)ncnc3n2CCc2ccccn2)o1 82178021 FIAREKILZMSIJG-UHFFFAOYSA-N 376.464 4.100 0 1 GIAF N=C(N)SCc1cc(F)ccc1Oc1ccc(F)cc1CSC(=N)N 84689898 OXAGDHOUNYGFBJ-UHFFFAOYSA-N 382.461 4.010 0 1 GIAF CC(C)=CC[C@@H]1Cc2cc3c(cc2C[C@@H]1O)OC[C@@H]1c2ccc(O)cc2O[C@@H]31 95486078 WWSJZUZKQALFSA-DLNXDNQYSA-N 378.468 4.434 0 1 GIAF biogenic,in-vitro Nc1nccn2c(C3CCC3)nc(-c3ccc([S@@](=O)c4ccccc4)cc3)c12 96168276 KCFICDAFSIXWSV-MUUNZHRXSA-N 388.496 4.413 0 1 GIAF CCn1c[n+](Cc2ccc(C[n+]3cn(CC)c4ccccc43)cc2)c2ccccc21 98084263 OVCFWWIOSLHEIB-UHFFFAOYSA-N 396.538 4.307 0 1 GIAF O=C1CCc2ccc(NC(=O)N[C@@H]3CCc4cc(C(F)(F)F)ccc43)cc2N1 145728018 BPNAIZSXOMSSPN-MRXNPFEDSA-N 389.377 4.399 0 1 GIAF COc1ccc(-c2cccc(-c3c(OC)cc(OC)cc3OC)n2)c(OC)c1 169312286 BTKBASROKBBCGK-UHFFFAOYSA-N 381.428 4.459 0 1 GIAF Cc1cnc(-c2ccccc2C(C)C)nc1NCc1ccc(-c2nnn[nH]2)cc1 169341673 XGQQSJMKAJKQQA-UHFFFAOYSA-N 385.475 4.368 0 1 GIAF CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2[C@H](C)c2ccc(F)cc2)C1 204890918 DBIXCDNXQFZNLL-CQSZACIVSA-N 381.426 4.342 0 1 GIAF O=C1c2ccccc2-c2cc(-c3cc4c(cc3O)OCO4)nc3ccc(O)c1c23 586992044 RZCVDUHDKOAALJ-UHFFFAOYSA-N 383.359 4.253 0 1 GIAF COc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1OC 587081812 GQFKNZJXXKURDF-UHFFFAOYSA-N 384.823 4.134 0 1 GIAF Nc1cc(F)c(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)cc1N 587136606 SLZBGFKKXWKYMS-UHFFFAOYSA-N 389.150 4.315 0 1 GIAF CCCCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345771 GOOBZSICISRIFG-UNMCSNQZSA-N 386.419 4.382 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(-n3cncn3)cc1Cl)CC2=O 587460516 GSFYIQKZEXBWJY-NRFANRHFSA-N 397.862 4.459 0 1 GIAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587555652 QTWXGKKQUXVDQD-UGKGYDQZSA-N 379.387 4.300 0 1 GIAF C[C@@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591787 HOWQSXPNRQLMBW-OFNKIYASSA-N 376.408 4.329 0 1 GIAF COc1ccc(OC)c(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)c1 587639217 YAVAJFLGNUVHDH-UHFFFAOYSA-N 393.317 4.133 0 1 GIAF CCOc1ccccc1-c1cccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587779680 CPWPYVBHGWZFEG-UHFFFAOYSA-N 382.427 4.271 0 1 GIAF COc1ccc2[nH]c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2n1 587800603 BWMSMPYIHORRFL-DYBLOJMWSA-N 390.256 4.097 0 1 GIAF Cc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCO2 587837080 ZFFIEGAQOSTHRK-YPMLDQLKSA-N 378.241 4.249 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccsc2C(=O)O)N1 587846225 UMWYREJNARSAKP-ZKANADHPSA-N 384.270 4.146 0 1 GIAF CCOC(=O)CCC[C@@]1(C2CC2)c2ccsc2CCN1Cc1cccn1C 962401124 VLFYTXXNPPBBPT-JOCHJYFZSA-N 386.561 4.484 0 1 GIAF COCc1cnc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)s1 962961518 VHBMENTVUYJQFS-MRXNPFEDSA-N 398.450 4.049 0 1 GIAF Cc1ccc(C[C@@]2(C3CC3)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962967680 BTRZFMDRGMIXRZ-UWJYYQICSA-N 391.845 4.374 0 1 GIAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@]42CCc3cccnc32)cc1 963818863 UKTFEZJDRYKDGJ-VWLOTQADSA-N 381.479 4.477 0 1 GIAF CCCOc1ccc2cc(C(=O)NCCc3c[nH]c4ccccc34)c(=O)oc2c1 1772648085 GLPUNFLVYZTRNX-UHFFFAOYSA-N 390.439 4.036 0 1 GIAF Cn1[nH]c(=N[C@@H](CN)c2ccccc2)c2cc(-c3ccccc3Cl)ccc21 1857533737 XZDILHZITONSPY-FQEVSTJZSA-N 376.891 4.428 0 1 GIAF COc1ccc(C(/C=C\CN2CCC[C@@H](C(=O)O)C2)c2ccc(OC)cc2)cc1 1857569547 DFFBTJCCAWNPCR-RDBXKPKDSA-N 395.499 4.189 0 1 GIAF Cc1nc(Nc2ccccc2)sc1C(=O)c1c[nH]c(=N)n1-c1ccc(F)cc1 1857769347 NHTCBUYFHZYOOK-UHFFFAOYSA-N 393.447 4.163 0 1 GIAF COc1ccccc1CN(C)CCCC[C@@H]1OC(=O)c2cc(OC)c(OC)cc21 1911574888 BREJGSHYRJMUSS-FQEVSTJZSA-N 399.487 4.226 0 1 GIAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)OCC 2356370507 AZSPHVCKQYRXFJ-HSALFYBXSA-N 380.525 4.162 0 1 GIAF CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)Oc3c(c(O)cc4c3COC4=O)C[C@H]12 2356463386 YHFZNBXTQFHWGR-IFOZNXLVSA-N 384.472 4.178 0 1 GIAF COC(=O)[C@@H]1CCC=C(C)CC[C@H]2C[C@@H](OC2(C)C)[C@@H](C(=O)OC)CCC1 2356576044 LLKYJPRIUKKHDS-YDZRNGNQSA-N 380.525 4.439 0 1 GIAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)CCCc1cn(C)c2ccccc12 2356660374 MAROOBAMUHELPM-UNMCSNQZSA-N 381.564 4.224 0 1 GIAF O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773343 NUZOAKRRZBPTBJ-MSOLQXFVSA-N 380.419 4.181 0 1 GIAF O=[S@](Cc1cc(Oc2ccc(F)cc2F)ccn1)c1nc2cscc2[nH]1 3796081 OSLPBOVMXCOIPI-SANMLTNESA-N 391.424 4.398 0 1 GIAF CC[C@@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H](CC(=O)OC)[C@](C)(CC(=O)OC)[C@@H]3CC[C@@]12C 2356393772 SIZQRHSXXDKFNH-BPXOXPCNSA-N 392.536 4.177 0 1 GIAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(c3c(C)cccc3C)CC2)o1 103291337 AMWHDMDFYIRNNN-UHFFFAOYSA-N 375.472 4.229 0 1 GIAF Cc1cccc(C(=O)NC(C)C)c1NC(=O)c1cc(C(F)(F)F)nn1C(C)C 28528241 UPAXYPIULKFTGB-UHFFFAOYSA-N 396.413 4.182 0 1 GIAF COC(=O)c1cccc(Cc2cc(Cl)cc(Cc3ccccc3O)c2O)c1O 27100357 ATBACKOBKHUTAJ-UHFFFAOYSA-N 398.842 4.425 0 1 GIAF CN(C)Cc1ccc([C@H]2c3n[nH]c(=O)c4cccc(c34)N[C@H]2c2ccccc2)cc1 117873084 JWHYKKKANGIQHW-GGAORHGYSA-N 396.494 4.283 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2N 61946520 ZEIZSQCNCGCUKC-BOPJXXHASA-N 389.536 4.053 0 1 GIAF COc1ccc([C@H]2c3ccc4ccccc4c3O[C@H]3N=C(S)NC(=N)[C@H]23)cc1 64448796 KYSIWMFCTDITTB-BBTUJRGHSA-N 389.480 4.181 0 1 GIAF COC(=O)c1ccc(Br)cc1-n1ccc2c([nH]c3ccccc32)c1=O 14694154 RQFMJGGGXMCJMA-UHFFFAOYSA-N 397.228 4.021 0 1 GIAF biogenic O=C(Nc1ccncc1)C(=O)c1cn(-c2ccc(Cl)c(O)c2)c2ccccc12 45384949 TXQPGVRJKSLEGY-UHFFFAOYSA-N 391.814 4.206 0 1 GIAF O=C(N1CCOCC1)N1CCc2sccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84671197 ABUIKYFOWXUFJZ-KRWDZBQOSA-N 396.434 4.167 0 1 GIAF CC(C)[C@@H](Nc1ccc(F)c([C@]2(C)COCC(N)=N2)c1)c1ccc(Cl)cn1 143084780 XUDAQSPLHDYMTP-UXHICEINSA-N 390.890 4.286 0 1 GIAF CC(=O)O[C@H]1c2c(C)coc2C/C(C)=C/CC[C@@H](C)[C@@H]2CC[C@](C)(O2)[C@@H]1O 238767261 RIKORDVHTJYOOY-RRZYBNLTSA-N 376.493 4.410 0 1 GIAF COC[C@@H](C)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1 142108702 UABKTNXHPQVUBR-QGZVFWFLSA-N 389.499 4.313 0 1 GIAF CCN(CC)C(=O)C[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 299870364 VGGFHJKLCAAIOU-AFSHIPQNSA-N 385.548 4.094 0 1 GIAF in-vivo CCOC(=O)CCc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 653801652 XNRHDCHNSGEHRD-UHFFFAOYSA-N 379.378 4.131 0 1 GIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3SCCc4sccc43)nc1-2 587036791 NIPPMZRBNKRRTL-QMMMGPOBSA-N 376.816 4.417 0 1 GIAF CC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2C1 587511923 AURUPHRFMJTROQ-XMMPIXPASA-N 375.468 4.178 0 1 GIAF C[C@@]1(c2cc(O)ccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341053 XQASPVBKSZEVCA-UNMCSNQZSA-N 379.387 4.093 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(O)ccc3C2)N1 587834309 RLKIADMSQJKDFJ-WLRWDXFRSA-N 376.269 4.212 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CCC[C@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O 587445624 XBVOFPIWUDPLST-KLGLLFHNSA-N 389.495 4.399 0 1 GIAF Cc1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cc1C 587649938 NLEYSQNZNDUOHQ-UHFFFAOYSA-N 377.412 4.357 0 1 GIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cccc(I)c3[nH]2)cc1 586893954 WNWSHRPLRIMXOT-BZNIZROVSA-N 392.240 4.313 0 1 GIAF CC(C)(C)[C@@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582110 OBKBHXUEADGWEI-AVRDEDQJSA-N 378.428 4.035 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(NC(C)=O)ccc3Cl)nc2c1 587051018 UDXTWNTYNPOQFM-UHFFFAOYSA-N 378.215 4.282 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Cl)ccc(Cl)c21 587463275 VDAVDXBRWOLRPF-LJQANCHMSA-N 392.238 4.464 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccccc2c1=O 587612911 WMTIMAYJCSPXQH-AUSIDOKSSA-N 386.359 4.202 0 1 GIAF CC(C)[C@@H](c1nc2ccc(CCO)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198370 ZPVHPXKAJIOVJA-FQEVSTJZSA-N 381.476 4.063 0 1 GIAF CCc1ccc2nc([C@H](Cc3ccc(Br)cc3)NC(C)=O)[nH]c2c1 586984292 JCMQBIPOPQLFSV-SFHVURJKSA-N 386.293 4.308 0 1 GIAF Cc1cc(Cl)cc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587148011 FAJKYTXDCNLACD-GFCCVEGCSA-N 375.806 4.319 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@]1(C)CC[C@H]2C1(C)C 587816960 GMEIZAJQKRURFS-BHLFYZKUSA-N 380.301 4.343 0 1 GIAF COCc1ncc(Cc2ccc3cccc(O)c3n2)c2cc(OC)c(OC)cc12 145112654 DSGBLCCLXGAZQS-UHFFFAOYSA-N 390.439 4.243 0 1 GIAF COc1ccc(Br)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587376134 HLXYHWVJLQQOGV-GOSISDBHSA-N 376.250 4.229 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cc(C)c(O)c(C)c1)CC2=O 587487767 IHBKKSPYWGBVQO-QHCPKHFHSA-N 398.455 4.393 0 1 GIAF Cc1ccc(Cn2nc(C)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587389297 GHLQBNLVCIYPPY-OAQYLSRUSA-N 375.472 4.454 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3Br)c(CF)c2c1 587649454 JTUYJPUBLOIJGO-UHFFFAOYSA-N 382.254 4.470 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CC2OCCO2)(c2ccc(F)c(F)c2)N1 962963912 XHIPTHVHSCLDPC-CMJOXMDJSA-N 398.453 4.377 0 1 GIAF Cc1ccn2c(C(=O)NCCOc3ccc(-c4ccccc4)cc3)c(C)nc2c1 1772600728 XCSHKFXKTZNHSU-UHFFFAOYSA-N 385.467 4.427 0 1 GIAF O=C(NCC[C@@H]1CN=C(c2ccccc2)c2ccccc2N1)c1ccccc1F 13525941 BPDSAOLEAPWKQE-GOSISDBHSA-N 387.458 4.277 0 1 GIAF Fc1cnc(NCc2ccc(CNc3ncc(F)c(Cl)n3)cc2)nc1Cl 203054548 WICMFQOOZMHGON-UHFFFAOYSA-N 397.216 4.076 0 1 GIAF CCNc1cc(-c2ccc3cnn(Cc4ccc(F)cc4)c3c2)cn(C)c1=O 1857569344 ZRWSMVMSSVRALA-UHFFFAOYSA-N 376.435 4.021 0 1 GIAF C[C@@H](C(=O)Nc1ncccn1)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 1857634735 OPPJSIPNVGQMGT-GFCCVEGCSA-N 387.365 4.376 0 1 GIAF COc1cc2c(c(OC)c1)[C@@H](c1cc(Br)ccc1F)CC(=O)N2 219428678 OYTDVLBECOZSSQ-GFCCVEGCSA-N 380.213 4.080 0 1 GIAF Cc1nc2cnccc2n1CC1CCN(C(=O)CC(C)(C)c2ccccc2)CC1 13745823 FJIQLBDGBFZIJM-UHFFFAOYSA-N 390.531 4.346 0 1 GIAF CCCc1nc2c(NCc3cccc(F)c3)ncnc2n1CC[C@@H]1CCCN1C 82221849 LXMHRMSDKROMDZ-SFHVURJKSA-N 396.514 4.014 0 1 GIAF Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2c3ccccc3nc-2c1O 100705859 ZQLGUJFZZMDBCH-UHFFFAOYSA-N 383.860 4.407 0 1 GIAF CCCC[C@@]12C[C@@]1(C(=O)NCc1ccccc1)C(=O)Nc1ccc(Cl)cc12 101396559 USEREGWIQZTYGO-FCHUYYIVSA-N 382.891 4.427 0 1 GIAF CCN(CC)[P@@](N)(=O)O[C@H](C[C@@H]1NC(C)(C)C[C@@H](C)O1)c1ccccc1 169371422 YTSDEBSCKWKCGY-IIVLOIFMSA-N 383.473 4.046 0 1 GIAF Cc1nsc(-c2ccc(N3CCC(n4ccc5ccccc54)CC3)nn2)n1 225118684 SHLKRAJIHVATIE-UHFFFAOYSA-N 376.489 4.100 0 1 GIAF O=C(Nc1ccc2oc(-c3ccccc3)c(CO)c(=O)c2c1)C1CCCCC1 299861245 HZDNURFMTLKDLJ-UHFFFAOYSA-N 377.440 4.471 0 1 GIAF CCOc1ccc2ccccc2c1C(=O)N1CCC(O)(Cc2ccccc2)CC1 299866743 WOOMTSKDELSZEB-UHFFFAOYSA-N 389.495 4.448 0 1 GIAF COC(=O)c1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2cn1 586878903 FQAJPWYDXSCWEK-UHFFFAOYSA-N 387.395 4.085 0 1 GIAF Brc1nc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(C2CC2)s1 587011670 BDILTJONQGYETD-UHFFFAOYSA-N 378.251 4.098 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)ncc2[nH]1 587081228 YDIFGFOMMDCDQX-NSHDSACASA-N 390.672 4.098 0 1 GIAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cncnc2[nH]1 587087336 OSDSICZWPFKURL-VOTSOKGWSA-N 385.258 4.383 0 1 GIAF CCOC(=O)[C@H](CCOC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096949 MKTTXTYIONSBKA-QGZVFWFLSA-N 389.451 4.438 0 1 GIAF Nc1ccc(-c2ccc3[nH]c(-c4cccc(OCC(F)F)n4)nc3c2)cc1N 587126324 WVMCAPGZHKZALP-UHFFFAOYSA-N 381.386 4.100 0 1 GIAF Nc1ccc(-c2ccc3nc(C4(O)CCC(C(F)(F)F)CC4)[nH]c3c2)cc1N 587127460 XZFZLHQVKXTQGA-UHFFFAOYSA-N 390.409 4.334 0 1 GIAF Fc1cccc(Cn2nnc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2Cl)c1 587161415 NPENLWQTMZJOTP-UHFFFAOYSA-N 399.710 4.219 0 1 GIAF O=C(Nc1cccc(-c2nc3cc4c(cc3[nH]2)OCO4)c1)c1ccc(F)cc1 587163996 PTZSLXZMXXVKCU-UHFFFAOYSA-N 375.359 4.350 0 1 GIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587167058 GRZBVJKOCSKAEV-KRWDZBQOSA-N 396.422 4.232 0 1 GIAF O=C(N[C@@H](c1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1)c1ccccc1 587221113 TZRHIBMDDYKPPI-HNNXBMFYSA-N 380.810 4.270 0 1 GIAF COC(=O)Nc1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 587243798 QYDBGOBAXIVDSX-UHFFFAOYSA-N 386.280 4.457 0 1 GIAF Nc1ccc2c(c1)[C@]1(C=CO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336486 NORJNQGTMHDOCI-GGAORHGYSA-N 389.382 4.274 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN3CCC[C@H](C)C3)cc1)O2 587396195 QGWDFDOVEXYSPL-HJPURHCSSA-N 394.515 4.394 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1c(C)cccc1Cl)[C@@H](C2)C3=O 587424103 XHGRWBHPWWUULO-LHSJRXKWSA-N 385.847 4.192 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CC[C@H](OCc4ccccc4)C[C@H]1F)[C@@H](C2)C3=O 587424728 SYLQZOFKGSGSCN-VSCJKUSUSA-N 382.431 4.289 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cnc1F)CC2=O 587471626 LNIOFXGPVCCMGO-OAHLLOKOSA-N 380.213 4.348 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)O)[nH]c3ccc(F)cc13)CC2=O 587472642 SRLZCDRFVGEOAW-KRWDZBQOSA-N 383.375 4.370 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C)c1Oc1cccnc1)CC2=O 587476124 PHMCNVILLRSHIN-LJQANCHMSA-N 393.443 4.280 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)ccc3c(C)cc(=O)oc13)CC2=O 587482209 CQMLMNZVVQAPRE-GOSISDBHSA-N 380.396 4.172 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@H]1CCCNC1)CC2=O 587485642 PYUNWBCHPIPLGN-MHECFPHRSA-N 379.500 4.291 0 1 GIAF C=CN1CCCC[C@@H]([C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587515148 QMXKSTFYUMBHLB-HYBUGGRVSA-N 379.500 4.452 0 1 GIAF O=C(c1cccc(F)c1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655315 BIQBIINKYGMZNC-UHFFFAOYSA-N 398.315 4.308 0 1 GIAF COc1cc2c(cc1F)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587733845 OXAVCOZOWAFEPZ-GIGQVBGESA-N 394.259 4.460 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cccc(F)c32)N1 587738400 ODISUIPDEFYFDV-MGNBDDOMSA-N 380.232 4.288 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ncccn2)N1 587775516 RJIPNEHTGOLOBD-RNODOKPDSA-N 398.279 4.204 0 1 GIAF CCOC(=O)[C@H](C(C)C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587799884 UPXOUZWRLCKJQF-VZSAFFHGSA-N 386.305 4.173 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@@]2(C(=O)O)C3(C)C)N1 587824947 DSNYMPOKHZHACI-VLDUJYHDSA-N 396.300 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2nccs2)N1 587852924 JIQKSEIIKQWXMW-ABKXIKBNSA-N 383.286 4.067 0 1 GIAF COc1cc(C(C)=O)c(OC)n1-c1cnc2cc(Br)ccc2c1 587939755 LIWPYPCMQTWPPS-UHFFFAOYSA-N 375.222 4.008 0 1 GIAF CCOC(=O)c1nc(C)sc1[C@@]1(C)N[C@H](CC)Cc2c1[nH]c1ccccc21 962945897 HJIWQTPONKXVAT-ASSNKEHSSA-N 383.517 4.297 0 1 GIAF COc1ccc(C[C@@H]2CCC[C@@]3(C2)NC[C@@H]2CC(=O)N(C)c4cccc3c42)cc1 963036749 VIFDROJFNFMXDT-MHPIHPPYSA-N 390.527 4.377 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1c(C)nc2scc(C3CC3)n12 963579915 JVWNFAAULZLWND-NSPYISDASA-N 383.517 4.222 0 1 GIAF C[C@@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC[C@H](c2ccccc2)C1 1772637783 DXZBQYCXLSGSRO-RDJZCZTQSA-N 377.492 4.198 0 1 GIAF CCCOC(=O)[C@@H]1C(C)=CC[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)[C@H](O)[C@@H](O)C[C@@]12C 2356504884 IXDOKLSVJJFDAR-AXKUPRLYSA-N 378.553 4.096 0 1 GIAF CCC[C@H](C)[C@H](OC(=O)C=Cc1ccccc1)[C@H](C)[C@@H](O)CC=CC=CC(N)=O 2356598388 OJAGQZQYWOJBHT-ORVPSHMPSA-N 399.531 4.033 0 1 GIAF C[C@]12CC[C@@H]3C(=C1C[C@H](O)[C@@H]2c1ccc(=O)oc1)CC[C@@H]1C[C@@H](O)CC[C@@]31C 2356600270 GJXJCPZVJOLKQN-SCGWKLNZSA-N 384.516 4.162 0 1 GIAF CCOC(=O)c1c(N2C(=O)Nc3ccccc3N2O)sc2c1CCCCC2 5200964 BBKZLAIWZXLCCF-UHFFFAOYSA-N 387.461 4.356 0 3 GIAF COc1cccc(CC2(CO)CCN(Cc3ccc4cccc(F)c4n3)CC2)c1 11937535 HTFKBZYCHPCMTQ-UHFFFAOYSA-N 394.490 4.200 0 3 GIAF CCCNC(=O)N1[C@H]2CC[C@@H]1C(C(=O)OC)=C(c1cc3ccccc3s1)C2 12480396 VKZMDTCSZXHDAF-GOEBONIOSA-N 384.501 4.184 0 3 GIAF CC(C)(C[C@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1ccc(F)cc1O 103250772 YUENOOALVDTBKW-GOSISDBHSA-N 397.372 4.006 0 1 GIAF Cc1nccc2c1[nH]c1cc(OC(=O)[C@]34CC[C@@](C)(C(=O)O3)C4(C)C)ccc12 100875246 SHFXXVQXMDMYSM-VXKWHMMOSA-N 378.428 4.052 0 1 GIAF COc1ccc(F)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)[nH]n1 61903061 HDAKZFVCBFUAND-UHFFFAOYSA-N 393.340 4.173 0 3 GIAF CC(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 114978307 LCIAXVNSMNPRDL-JOCHJYFZSA-N 398.934 4.164 0 1 GIAF O=C1Cc2c(OCCNCc3ccc(-c4ccccc4)cc3)ccc(F)c2N1 26165572 PLXCESBDIJXCGL-UHFFFAOYSA-N 376.431 4.156 0 1 GIAF O[C@H](COc1cccc(-c2ccc3cn[nH]c3c2)c1)CN1CCc2ccccc2C1 218388507 NZRSCPPEGJHBCC-QHCPKHFHSA-N 399.494 4.028 0 1 GIAF COc1cc(-c2nc(CN3CC[C@H]4CCCC[C@@H]4C3)co2)cc(OC)c1OC 72182331 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C[C@H](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@@]21C 2356872728 ZBAVIUQLFUYWMT-GHKXYKPGSA-N 378.553 4.088 0 1 GIAF COc1ccc(CNC(=O)c2cc3c(C)nc4ccccc4c3o2)c(OC)c1 4902567 LHZIGNUPBFCUEJ-UHFFFAOYSA-N 376.412 4.237 0 3 GIAF C[C@@]1(C(=O)NCc2cccc3ccccc23)CCN1C(=O)C1(c2ccccc2)CC1 61907147 KMNYMWXQCSTHDK-VWLOTQADSA-N 398.506 4.179 0 3 GIAF Cc1cc(-c2c(F)c(F)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)cc(C)n1 1485867 QUYSIYPMTRHBAI-UHFFFAOYSA-N 388.345 4.131 0 1 GIAF Cc1ccc(-n2nc3c(c2NC(=O)CCC2CCCCC2)C[S@@](=O)C3)cc1 2724897 YYAHZOCLRLDPAZ-MHZLTWQESA-N 385.533 4.242 0 3 GIAF CCCCCCC1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NCCCOC 4213998 MZOXLOXVPBESLM-LEWJYISDSA-N 390.524 4.252 0 1 GIAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]24CC[C@@]3(C[C@@H]2C(C)(C)C(C)(C)O4)[C@@H]1C5 103037438 FTOZVQKYOSPMCR-KONWNUJFSA-N 395.543 4.025 0 1 GIAF CCOC(=O)[C@@]1(C)CCCCCN1C(=O)c1ccc(OC)c(C(F)(F)F)c1 61902921 NEMQDSIHXMCJLN-GOSISDBHSA-N 387.398 4.052 0 3 GIAF C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1Cc1ccc2ccccc2c1 61930613 SMUQZWLJZBTBJG-XMMPIXPASA-N 388.467 4.214 0 3 GIAF O=C1OCc2c1cc1c(Cl)cc3c(c1c2-c1ccc2c(c1)OCO2)OCO3 28104178 BXPFXKOEFQXDBO-UHFFFAOYSA-N 382.755 4.288 0 1 GIAF CCCCCCN1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(C)cc1 61923796 JOAXJGDCRUOOCX-DNVJHFABSA-N 382.552 4.393 0 3 GIAF CCCC[C@H](c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 28886068 IEYSZWAZVZLXMA-JOCHJYFZSA-N 377.532 4.346 0 1 GIAF COC(=O)C1=C(c2ccc(OCc3ccccc3)c(F)c2)C[C@@H]2CC[C@H]1N2C 61921182 NGQZLNVXLBHJLB-FXAWDEMLSA-N 381.447 4.198 0 3 GIAF CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 118924531 PFZUIDNKXWIWBG-YHEMGIGTSA-N 378.597 4.384 0 1 GIAF in-vitro Cc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCC2CCCCC2)co1 82070850 SOCVBQTUEJKPMP-INIZCTEOSA-N 384.476 4.282 0 1 GIAF CCCOc1cccc(N2CC(Oc3ccc([C@H](C)CC(=O)N(C)C)cc3)C2)c1 96172875 PNHKUIGCJLBCQQ-GOSISDBHSA-N 396.531 4.325 0 1 GIAF Cc1nc(C(C)C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)nc1C(N)=O 254134629 LSJYIHZUMHUKEH-WKILWMFISA-N 395.503 4.423 0 1 GIAF CO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 621475387 ZUCQEZHTPVDQNI-HQMFNGAOSA-N 398.484 4.080 0 1 GIAF O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1F)N1CCc2ccccc21 299824804 XIYCQGUCOSWXLY-UHFFFAOYSA-N 384.432 4.110 0 1 GIAF COc1ccc(OCc2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)cc1 587413414 NFYGQKUSRQVCAS-LJQANCHMSA-N 396.468 4.328 0 1 GIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587114404 TTXQSFBLXLGEGW-JTQLQIEISA-N 375.350 4.259 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C)c(C)cc3[nH]2)cc1 587043986 WYAQCXHBKLLDJF-IBGZPJMESA-N 381.501 4.466 0 1 GIAF CN(C)/C=C/[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613514 PGYCRTMDHUTEPL-KSAVBPPNSA-N 393.464 4.386 0 1 GIAF Nc1cccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)c1 586987389 ODYATGWRFCMCGK-UHFFFAOYSA-N 396.402 4.028 0 1 GIAF CC(=O)c1ccc(-c2cc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)ccc2F)cc1 587139798 XIJSMHFSDCWJQW-UHFFFAOYSA-N 381.798 4.046 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2/C=C/C(=O)O)N1 587829616 RMVORNMNABDOEC-YAVQKDKNSA-N 390.252 4.310 0 1 GIAF COc1ccc(OC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587800396 GMBUCSKKZSOJSY-VOJFVSQTSA-N 380.257 4.251 0 1 GIAF CC(C)COc1cccc(OCc2nc3ccc(Br)nc3[nH]2)c1 587565539 DDLGLQKBVUEIGZ-UHFFFAOYSA-N 376.254 4.334 0 1 GIAF Brc1nccc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029311 NVGRNDBLGZCSTD-UHFFFAOYSA-N 387.262 4.423 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)c[nH]c3nccc2-3)N1 587729308 GVYWKOMDZGQPFL-NIVTXAMTSA-N 392.247 4.353 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(C(F)(F)F)n1 587861683 XACMJOFMZWHFTD-UHFFFAOYSA-N 388.271 4.376 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCCc4nc(Cl)cc(Cl)c41)[C@@H](C2)C3=O 587421553 PWTRITZMTWSOQF-WLRWDXFRSA-N 376.239 4.376 0 1 GIAF COc1ccc(OC)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587806959 KXJHNPBGCWDLKZ-WYRIXSBYSA-N 394.284 4.403 0 1 GIAF CCn1nc(C)c(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587700707 WCSANFMKTACMHT-ANRSDYALSA-N 386.696 4.390 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Cl)c(F)cc4[nH]3)cc12 587038970 VZAWXKRTBGTSHJ-MRVPVSSYSA-N 391.859 4.103 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Cl)s2)N1 587852522 GVZJYZFNUFJOPH-JKYUHCHBSA-N 375.694 4.496 0 1 GIAF Fc1cc(Br)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 587076851 XEGYFWVWXNGZCW-UHFFFAOYSA-N 392.619 4.366 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC(F)(F)C(=O)O)c1)CC2=O 587464276 MZSKUNOICYQEFW-KRWDZBQOSA-N 392.354 4.107 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H](C(=O)O)C2(C)C)N1 587831223 WNZBXFSZVLHJRV-BDLOJIEOSA-N 384.289 4.085 0 1 GIAF CC[C@]1(c2c(C)nn(C)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587756402 KSDPSZFFNWPOBB-MGNBDDOMSA-N 380.305 4.126 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3cccc(Br)c3)c1)O2 587371734 MPWDELNWPIAISL-SFHVURJKSA-N 398.260 4.232 0 1 GIAF O=c1c(Br)cc2cnc(Nc3ccccc3)nc2n1C1CCCC1 1772603655 FNKPYCRBWYTRJJ-UHFFFAOYSA-N 385.265 4.413 0 1 GIAF COc1cc2c(c(OC)c1OC)-c1cc3cc([C@H](C)O)oc3cc1[C@H](O)CC2 1772636973 OANSUPXVOFHHME-MEDUHNTESA-N 384.428 4.159 0 1 GIAF CC(C)n1ncc2c(C(=O)Nc3ccccc3F)cc(-c3ccccn3)nc21 1772605452 GDPDODVHJDZHNO-UHFFFAOYSA-N 375.407 4.466 0 1 GIAF O=c1cc(N2CCOCC2)oc2ccc(-c3cccc(OC(F)(F)F)c3)cc12 13677102 JQOSRHGHZOKLGU-UHFFFAOYSA-N 391.345 4.195 0 1 GIAF CN1CCN(c2nc(-c3ccco3)cc(-c3cc4ccccc4s3)n2)CC1 13808395 XBZDHWYSUZYKGR-UHFFFAOYSA-N 376.485 4.370 0 1 GIAF C=C/C=C/C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 13861819 UHUXAMBAPFKPGQ-XVNBXDOJSA-N 396.248 4.212 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)CCC[C@]4(C)[C@H]3CC[C@]12C 169369803 ARCONGNMKCTCRP-SVWLCPBZSA-N 388.596 4.382 0 1 GIAF O=C(O)CNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 169703786 NXPYZEBYDNCXJO-UHFFFAOYSA-N 386.814 4.045 0 1 GIAF O=S(=O)(Nc1ncns1)c1ccc2c(NCc3ccccc3)cccc2c1 206159565 VEZHTFBGBZXSFO-UHFFFAOYSA-N 396.497 4.104 0 1 GIAF CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(C(F)(F)F)cc1 1857547278 JNNBFMNMHJBKSW-UHFFFAOYSA-N 397.374 4.074 0 1 GIAF COc1cc(-n2c(-c3ccc(Cl)cc3)csc2=O)cc(OC)c1OC 1857559845 ZKPOBZVVFAWRMQ-UHFFFAOYSA-N 377.849 4.245 0 1 GIAF COc1ccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1 3815161 KGHAUONMJSXUDW-UHFFFAOYSA-N 380.839 4.371 0 1 GIAF CC[C@H](C(=O)NCCC1=CCCCC1)N1C(=O)COc2ccc(C(C)(C)C)cc21 4688068 OZRPAFBTCUPJMN-LJQANCHMSA-N 398.547 4.495 0 1 GIAF CC(=O)Cc1cc2cccc3c(C(=O)c4c(C)cc(O)cc4O)c(O)cc(o1)c23 13334583 PDVXUUQMVNMSCG-UHFFFAOYSA-N 390.391 4.374 0 1 GIAF biogenic O=c1cc(N2CCOCC2)oc2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 13677155 WYNPLBBFDMWFAS-UHFFFAOYSA-N 391.345 4.195 0 1 GIAF N[C@@H](NC1CC1)c1ccc(-c2ccc(-c3ccc([C@@H](N)NC4CC4)cc3)o2)cc1 19329482 YKBBTHHMEIPZMC-ZEQRLZLVSA-N 388.515 4.032 0 1 GIAF in-vitro Cc1noc(-c2ncn3c2CN=C(c2ccccc2)c2cc(Cl)ccc2-3)n1 26382568 ITPZIMOEQUJFOI-UHFFFAOYSA-N 375.819 4.235 0 1 GIAF CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](C)[C@H](c3ccccc3)N12 26971835 SWJWVTBKVUVWHZ-OXJNMPFZSA-N 385.471 4.492 0 1 GIAF O=C(Nc1ccccc1)Nc1cc(=O)[nH]c(SCc2ccccc2Cl)n1 42922158 MGIMCDTWVYRQLZ-UHFFFAOYSA-N 386.864 4.360 0 1 GIAF NC(=O)c1ccc(-c2cc(-c3ccc4c(c3)OCO4)n(-c3ccccc3)n2)cc1 43059488 FZCUDIFPVRJUAS-UHFFFAOYSA-N 383.407 4.034 0 1 GIAF C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12)C(C)(C)C 45210077 RUSQSSIAAKWYSS-CYBMUJFWSA-N 383.879 4.204 0 1 GIAF O[C@@]1(c2ccc(-c3ccc(Br)s3)cc2)CN2CCCC[C@H]2CO1 58528697 NQOYZHHHGSRJGT-YJBOKZPZSA-N 394.334 4.207 0 1 GIAF in-vitro COc1cccc(N2CCN(Cc3coc(-c4ccccc4Cl)n3)CC2)c1 64399409 VWSHNWVVDRLQFB-UHFFFAOYSA-N 383.879 4.326 0 1 GIAF O=C(Cc1ccccc1)Nc1cccc(CCN2CCN(c3ccccc3)CC2)c1 84652542 ZLXLUDPOWFEMCX-UHFFFAOYSA-N 399.538 4.233 0 1 GIAF O=C(O)c1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 100721994 WJAIXKHFYYKSIQ-FGZHOGPDSA-O 384.411 4.283 0 1 GIAF COc1cc(/C=C2\OC(=O)C(Cl)=C2Cl)ccc1OCCc1ccccn1 103229244 QWIPTCMHCFLGIV-WJDWOHSUSA-N 392.238 4.299 0 1 GIAF CC[C@@]1(C(=O)NCCc2ccc(Br)cc2)[C@H](C)C1(Cl)Cl 103272533 RIDBZEQVJVKESF-HZMBPMFUSA-N 379.125 4.328 0 1 GIAF CCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1OC(C)C 116230373 LEFYAWNORVVOOT-UHFFFAOYSA-N 377.824 4.476 0 1 GIAF CN1CCN(c2ccc(Nc3cc(-c4c[nH]c5ccccc45)ncn3)cc2)CC1 299855576 BMFODXAZKLMRNP-UHFFFAOYSA-N 384.487 4.120 0 1 GIAF CC(C)CCOc1cc2nc([C@H](O)C3CCOCC3)[nH]c2cc1Br 586914309 ZFBSPBBWLCQSCB-QGZVFWFLSA-N 397.313 4.210 0 1 GIAF CN(C)CCOc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587006398 MWNBPJBFOXQKOK-UHFFFAOYSA-N 399.292 4.186 0 1 GIAF Oc1nccc2nc(-c3cccc(N=c4[nH]c(-c5ccccn5)cs4)c3)[nH]c12 587022327 WYGRVQCDPIDNJO-UHFFFAOYSA-N 386.440 4.015 0 1 GIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(F)c2[nH]1 587069805 LFJKCUZKAYNHCN-SNVBAGLBSA-N 382.664 4.403 0 1 GIAF Cc1cc2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc2c(C)n1 587155330 WZNPIQDSIAWFOT-UHFFFAOYSA-N 390.418 4.398 0 1 GIAF COc1cc(-c2nc3cc(Cl)cc(C)c3[nH]2)ccc1OCC(=O)NC(C)C 587220316 GDYXZQSABNCGJI-UHFFFAOYSA-N 387.867 4.104 0 1 GIAF Cc1nc2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc2cc1Br 587234045 ZQJXPHRAUOLCOD-JQWIXIFHSA-N 395.301 4.190 0 1 GIAF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587243414 DHJBKWSRVLNBTA-UHFFFAOYSA-N 384.439 4.184 0 1 GIAF Cc1ccc([C@]2(CN)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587332190 FMGQGCVAFGHIJG-GMAHTHKFSA-N 377.415 4.053 0 1 GIAF COc1cc2c3c(c1)O[C@](C[C@@H](C)C(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587418478 BKBDDAYBNHQQKE-BSPLBBPOSA-N 386.831 4.102 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)F)c(OC(F)F)c1)[C@@H](C2)C3=O 587420388 FZTBPPWUJTYJDO-GTNSWQLSSA-N 398.308 4.387 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(C1CCOCC1)[C@@H](C2)C3=O 587422994 SBDGKXQTDPVYKT-AVRDEDQJSA-N 384.859 4.418 0 1 GIAF O=C(O)CCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603744 OWFUDABNQQPABJ-OFNKIYASSA-N 390.391 4.112 0 1 GIAF COc1ccc2[nH]c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2n1 587802359 LRTZDVWTDNYFMD-DYBLOJMWSA-N 390.256 4.097 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3c(O)cccc32)N1 587835247 VUYUIPLPVXEVNR-WLRWDXFRSA-N 376.269 4.408 0 1 GIAF COc1ccc(-c2cccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2C)c(OC)c1 587929638 OFXHUNXHXPOFRI-UHFFFAOYSA-N 395.850 4.030 0 1 GIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 587937893 QXNOUBZYEITKQW-ZKANADHPSA-N 397.219 4.449 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc(CC[C@@H](C)CC(=O)O)[nH]c3c2)cc1 587962221 BJVYOIAGIMCKSM-CYBMUJFWSA-N 382.416 4.185 0 1 GIAF O=C(O)c1n[nH]c2cccc([C@H]3c4ccsc4CCN3Cc3ccco3)c12 962706585 MYDPSQFWDHWNQZ-LJQANCHMSA-N 379.441 4.063 0 1 GIAF Cc1ccnc2c1CCN[C@]2(C)CC[C@](F)(Cl)C(F)(F)Br 963077113 VIAZSHHXLNUIMZ-CHWSQXEVSA-N 385.655 4.423 0 1 GIAF Fc1ccc([C@H]2CCCN2CCCn2nnc(-c3ccc(Cl)cc3)n2)cc1 1857582991 JOQGMDIEPZSULE-LJQANCHMSA-N 385.874 4.360 0 1 GIAF Oc1ccc2c([C@@H](O)CNCCCc3ccc4ccccc4c3)ccc(O)c2n1 1857596263 DKVWUTVZDWXCEK-QFIPXVFZSA-N 388.467 4.055 0 1 GIAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCCC1 2356407116 PZFREAYIEWBBRP-BDTNDASRSA-N 382.548 4.284 0 1 GIAF CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N(C)Cc1ccccc1 95570801 NBSRSMPSFBUOCU-NRFANRHFSA-N 375.476 4.441 0 3 GIAF OCCNCc1ccc2c(c1)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2 9716271 SFRGMDVTZLNFOE-UHFFFAOYSA-N 397.478 4.102 0 1 GIAF CCc1cc(OC(C)C)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 29408629 QNFRLFCAZJWTNM-UHFFFAOYSA-N 376.501 4.172 0 1 GIAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC1=C[C@H](OC)OC1=O 2356495097 FSJFGZMOIPHTEI-DGZPHPLVSA-N 376.493 4.174 0 1 GIAF COc1ccc(OC)c(C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CC[C@H](O)[C@]3(C)O)c1 2356805164 VEVBGIXZPCUVGB-KWOKRMHRSA-N 376.537 4.211 0 1 GIAF COc1ccccc1[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 71333608 MMWSZDMUNIMSOC-QFIPXVFZSA-N 379.843 4.131 0 1 GIAF CC(C)n1cc(C(=O)O)c(=O)c2c(O)c(Cc3cccc(Cl)c3F)ccc21 72106625 QUXCPHQQUMZNEX-UHFFFAOYSA-N 389.810 4.370 0 1 GIAF COc1ccc(Cn2c(C)nc3cc(NC(=O)c4ccccc4)c(C)nc32)cc1 40011181 MMZXKQMDJLPBCR-UHFFFAOYSA-N 386.455 4.357 0 1 GIAF CC[C@@H]1CC=C(c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)CC1 220720398 CTBXKHLRFQFYGO-IQMFZBJNSA-N 382.504 4.008 0 1 GIAF CC(=O)Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587810299 KKDLYJKRJKFZPP-MLCYQJTMSA-N 378.241 4.137 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(N(C)C)nc3ccccc3c1O)CC2=O 587467701 GKVDWVITAMDPBB-IBGZPJMESA-N 392.455 4.371 0 1 GIAF O=C(O)c1ccc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586992367 VYSJOGJJHZGKCX-UHFFFAOYSA-N 383.359 4.223 0 1 GIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cccc(I)c3[nH]2)cc1 586893953 WNWSHRPLRIMXOT-BDJLRTHQSA-N 392.240 4.313 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3cc(Cl)cnc3[nH]2)[C@@H]1c1ccccc1Cl 587062479 VZLCMFWGYDVLAC-WBMJQRKESA-N 375.259 4.342 0 1 GIAF O=C(O)c1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1F 587782522 OEPOWORHJXYVDD-UHFFFAOYSA-N 378.359 4.352 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(CCc3ccccc3F)nc2c1 587148745 FNAINHXIRUJABJ-UHFFFAOYSA-N 377.213 4.036 0 1 GIAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1Cc1ccccc1 587516393 CROOQVSGCSRQRB-DEOSSOPVSA-N 387.483 4.394 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c[nH]c3ncc(Br)cc13)O2 587371324 KHWWWDRUTLMOIJ-SFHVURJKSA-N 386.249 4.097 0 1 GIAF CC(C)[C@@H](c1nc2cc3c(cc2[nH]1)OCCO3)N(C)C(=O)OCc1ccccc1 587198762 NYWYSCXNUGSQKY-FQEVSTJZSA-N 395.459 4.300 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@@H]1CCCC[C@H]1C 587869810 SJBUIVHKGAIFEC-DGCLKSJQSA-N 398.454 4.274 0 1 GIAF CC(C)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587587942 OTAXFQPQOHDMOJ-KNQAVFIVSA-N 377.396 4.277 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3cc(F)ccc32)N1 587737160 YKNZVXQEQPALOX-YPMLDQLKSA-N 378.216 4.411 0 1 GIAF CCc1ccc(-c2nc3cc(OC)c(C(=O)OC)cc3[nH]2)cc1Br 586977638 NSBNMEWBRVFGJO-UHFFFAOYSA-N 389.249 4.350 0 1 GIAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(Br)cnc2[nH]1)C1CCCC1 587226865 VHZZDSNCRCCQCJ-ZDUSSCGKSA-N 395.301 4.476 0 1 GIAF COc1cccc(F)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559668 YQBBKBAPGCOXFS-DENIHFKCSA-N 380.371 4.417 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)C1CCCC1 587225891 NONCAQYQZZDZSW-LLVKDONJSA-N 385.390 4.079 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586888314 INZGNQHYULYTNP-WLNNIECUSA-N 387.549 4.109 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccc(O)cc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427144 GZDUFYRHLPFICS-WMZHIEFXSA-N 376.383 4.231 0 1 GIAF CCC(=O)[C@@H](C(=O)OC)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587097658 NEBQHIMRBIUSTK-HXUWFJFHSA-N 387.435 4.299 0 1 GIAF CCC[C@]1([C@H](CC)C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587803404 AHSNIZXRGWONAH-WHWRDJHUSA-N 386.305 4.317 0 1 GIAF O=C(O)c1cc(Br)c([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)s1 963098482 ICTFAGUJCXBSAB-NHYWBVRUSA-N 396.281 4.458 0 1 GIAF Cc1ccc(Cl)cc1NC[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 142581551 IWONXIHXLHWZFU-SJLPKXTDSA-N 378.925 4.148 0 1 GIAF C=C(Br)C(=O)Nc1ccc2c(c1)/C(=C\c1sccc1C)C(=O)N2 1772640579 LHQNNTYMWANJKA-MDWZMJQESA-N 389.274 4.396 0 1 GIAF CCOC(=O)CCCOc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3 13215640 SXJPAUFFSLFCNK-UHFFFAOYSA-N 397.402 4.492 0 1 GIAF COc1ccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)c(OC)c1 13477682 BRIWGVHZNHTMFK-UHFFFAOYSA-N 396.516 4.157 0 3 GIAF COc1ccccc1OC[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)CCO1 13579731 NWVGUDQMIURIMB-HNNXBMFYSA-N 382.287 4.282 0 1 GIAF Cc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1C 13742555 QPFANIPLVKQNJA-UHFFFAOYSA-N 376.500 4.130 0 1 GIAF N[C@H](Cc1cc(Cl)c(Oc2ccc(O)c(Cl)c2)c(Cl)c1)C(=O)O 169342211 ARSDNROBWBKRSA-GFCCVEGCSA-N 376.623 4.099 0 1 GIAF O=C(O)C[C@H](NC(=O)c1cccc(-c2ccccc2F)n1)c1ccc(Cl)cc1 203338061 CKAXGCXVCQMXBU-IBGZPJMESA-N 398.821 4.487 0 1 GIAF Cc1cc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2cc1-c1cccnc1Cl 205038556 PENVFCLABRZGRN-UHFFFAOYSA-N 392.768 4.464 0 1 GIAF COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3c(F)cccc3F)o1)CC2 1857633396 GPUZZIJYPAJCBI-UHFFFAOYSA-N 399.393 4.441 0 1 GIAF O=C(CN1C(=O)C[C@@H](c2ccccc2)Sc2ccccc21)N1CCCCC1 5052772 ZZLITXAKUUHWBP-FQEVSTJZSA-N 380.513 4.269 0 1 GIAF COCCN(C(C)=O)[C@H]1CCC2(SCCS2)c2[nH]c3ccccc3c21 5602020 KJHPNNIYKNSSCW-INIZCTEOSA-N 376.547 4.131 0 1 GIAF O=C1CCOc2c(OCCNCCCCc3ccc(Cl)cc3)cc(F)cc21 13780400 PBENURCHEWSCJC-UHFFFAOYSA-N 391.870 4.436 0 1 GIAF CCCn1c(=O)c2[nH]c([C@@H](c3ccccc3)C3CCCC3)nc2n(CCC)c1=O 13861096 OKHQKQUILBVGOL-SFHVURJKSA-N 394.519 4.028 0 1 GIAF Cc1cccc(-c2cccc(CN3CCN(c4cccc5[nH]c(=O)oc45)CC3)c2)c1 26403389 GSLQHAXMHUNKAF-UHFFFAOYSA-N 399.494 4.419 0 1 GIAF CC(C)NC(=O)COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12 28364273 RBBRBRDXVSRIBL-UHFFFAOYSA-N 380.419 4.135 0 1 GIAF COC(=O)CCC(=O)Nc1cccc(OCc2ccc3ccc(C)cc3n2)c1 29223674 OXYFUFLGCNRKLR-UHFFFAOYSA-N 378.428 4.014 0 1 GIAF Clc1ccccc1N1CCN(CCc2cc(Cl)c3nc[nH]c3c2)CC1 40413481 DQJJHGLWMUCFCC-UHFFFAOYSA-N 375.303 4.234 0 1 GIAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccccc2F)C1 82151635 WJNQUDYPTLMDIN-HOTGVXAUSA-N 384.499 4.390 0 1 GIAF CC(C)CCn1c(CN2C(=O)[C@H](CC(=O)O)c3ccccc32)nc2ccccc21 84375197 OPEBRRKJBKZXRL-QGZVFWFLSA-N 391.471 4.188 0 1 GIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2cccc(OC)c2)cc1 101027694 WZOWKFNPGXEKBJ-MZINWRMZSA-N 389.495 4.401 0 1 GIAF N[C@H]1CC[C@H](n2cc(-c3ccc4c(c3)Cc3c[nH]nc3-4)c(-c3ccncc3)n2)CC1 101417507 IITDRWYWCOFDCY-BGYRXZFFSA-N 396.498 4.349 0 1 GIAF COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)c1 104070858 WRSBHFBGJUGJSV-HXUWFJFHSA-N 385.460 4.464 0 1 GIAF CCC1(CC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CO3)c2ccccc2O1 143343799 OGMHTGYHHPBPOK-QGZVFWFLSA-N 395.459 4.222 0 1 GIAF CC(C)Nc1nccc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1 204760951 SMFLEXPDEWVLCB-UHFFFAOYSA-N 377.452 4.316 0 1 GIAF COc1ccc(-c2c(CO)n(Cc3cccc(Cl)c3)c3ncccc23)cn1 299819710 FAPANJHEFQNSBL-UHFFFAOYSA-N 379.847 4.301 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 586915305 CIISIUVQZFVUAJ-FZKQIMNGSA-N 375.350 4.193 0 1 GIAF O=[S@](CCCc1nc2cccc(F)c2[nH]1)c1ccc(Br)cc1 586960239 NNKSZTUYBZSEGQ-JOCHJYFZSA-N 381.270 4.205 0 1 GIAF Fc1c(Cl)cc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1F 587005770 RBWWMBGRLFLASI-UHFFFAOYSA-N 379.979 4.367 0 1 GIAF C[C@@H]1CCc2sc(-c3nc4ncc(I)cc4[nH]3)cc2C1 587034359 TULYNPCXCFJDLG-MRVPVSSYSA-N 395.269 4.416 0 1 GIAF COc1cc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1Cl 587110823 DANAXOLOAQQSFN-UHFFFAOYSA-N 383.757 4.174 0 1 GIAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2nc(Cl)c[nH]c-2n1 587121755 KDKQUJPQXAXHRO-UHFFFAOYSA-N 379.729 4.380 0 1 GIAF CCc1ccccc1NC(=O)c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 587240400 CZZUYSHLFMDXBU-UHFFFAOYSA-N 384.308 4.427 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OC[C@H]1CCCO1)O2 587375867 AEUPVSXQEDGACX-JLTOFOAXSA-N 387.863 4.495 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(F)cc(Br)c31)O2 587386284 XFQCQRMSXOKXFQ-SFHVURJKSA-N 376.225 4.286 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccc(C(=O)O)o3)cc1)O2 587403065 DNYBEAVKOYGTCF-JOCHJYFZSA-N 377.396 4.416 0 1 GIAF CCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br 587412600 JCXXSFARAWSBGD-BFUOFWGJSA-N 389.245 4.345 0 1 GIAF CCn1cc(-c2cc3ccccn3c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cn1 587434764 AZLLEEVTIRJAJG-NTKDMRAZSA-N 399.450 4.320 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cnccc21 587492873 YFIQPOAQOMACFJ-XMMPIXPASA-N 385.419 4.193 0 1 GIAF O=C(O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)ccc2O1 587497290 AANMJUXEPPZNMO-QFIPXVFZSA-N 396.826 4.440 0 1 GIAF COc1cc(OC)c2c(c1)OCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587536241 SPCHILFAEYBOOE-HSZRJFAPSA-N 380.440 4.226 0 1 GIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1O 587547968 VPLSGQQLBWBTEC-NQIIRXRSSA-N 398.798 4.463 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H]2OCc1ccccc1 587598948 CLTQIJNKWYUSKK-ZFGGDYGUSA-N 388.419 4.472 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(Cl)cc2)N1 587705929 ZZWNOXRFARDDBL-VVVCHXIZSA-N 398.659 4.104 0 1 GIAF COc1ncc(C)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587773514 ZAGIQEVKTZOAAK-VOJFVSQTSA-N 379.273 4.098 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-n3ccnc3)cs2)N1 587847205 JPUYAAKWRBSXDA-DYZYQPBXSA-N 392.297 4.459 0 1 GIAF COc1cc(-c2cc(N[C@@H]3CCCc4ccccc43)nc(C)n2)ccc1C(N)=O 653757398 PNPGHOLPQDDFTL-LJQANCHMSA-N 388.471 4.049 0 1 GIAF COc1cccc(CN(C(=O)c2ccccc2)[C@H](C(=O)O)c2ccccc2)c1 1772642812 UUXTWNPSTXTQDF-NRFANRHFSA-N 375.424 4.164 0 1 GIAF COc1cc2c(Nc3ccc(C(=O)Nc4ccccc4)cc3)ncnc2cc1O 1857765123 YQTIZDYSQKQTBQ-UHFFFAOYSA-N 386.411 4.340 0 1 GIAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356417173 SSXKICOQNGDABW-NBWTWZOZSA-N 378.468 4.309 0 1 GIAF O=c1cc(-c2ccccc2)oc2ccc(Oc3nnnn3-c3ccccc3)cc12 1646897 GMYNLZZNTJORKN-UHFFFAOYSA-N 382.379 4.228 0 1 GIAF COc1c2c(cc3c1[C@@H]1Oc4c(ccc(O)c4C=O)[C@H]1CO3)OC(C)(C)C=C2 2356428014 UKDKDKJBFPHLLS-SPLOXXLWSA-N 380.396 4.007 0 1 GIAF CC[C@H](C)NC(=O)CSc1nc(NCc2ccccc2)c2ccccc2n1 2933002 BNCICMBPRWYMGQ-HNNXBMFYSA-N 380.517 4.249 0 1 GIAF COc1cc([C@H]2C3=C(O)OCC3=Nc3cc4c(cc32)CCC4)cc(OC)c1OC 100872791 WMWOJNSMADLFFN-HXUWFJFHSA-N 393.439 4.219 0 1 GIAF COc1cc([C@H]2Sc3ccccc3N=C3COC(O)=C32)cc(OC)c1OC 100634321 KPRMUMMTTWEGJX-LJQANCHMSA-N 385.441 4.432 0 1 GIAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]24CC[C@@]3(C[C@H]2C(C)(C)C(C)(C)O4)[C@@H]1C5 103002374 FTOZVQKYOSPMCR-OUAYAHSLSA-N 395.543 4.025 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1cccc([C@@H](C)N3CCCC3)c1)C2 28334785 JJRNYZDOVACYLA-IVZQSRNASA-N 381.472 4.047 0 1 GIAF CCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1C(F)(F)F 28643894 YATZWAZOMFSRGL-UHFFFAOYSA-N 398.392 4.387 0 1 GIAF O=C1OC[C@@H](COC(=O)c2ccccc2)C=C1c1ccc(Cl)c(Cl)c1 64559312 XIBBXHVCTPERGX-GFCCVEGCSA-N 377.223 4.407 0 1 GIAF O=C(O)[C@@H]1CCCN1CCOc1ccccc1Sc1cccc(Cl)c1 36143377 CRPCVIZDPFMVRL-INIZCTEOSA-N 377.893 4.419 0 1 GIAF CC(=O)[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CCC23OCCO3)C1 3849894 WVWLZTRPYHOEKB-FAGWYDQESA-N 376.537 4.092 0 1 GIAF biogenic N#Cc1ccccc1-c1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 219730151 AMSKEMVZDWBSOE-HSZRJFAPSA-N 384.479 4.023 0 1 GIAF C[C@H](CCCO)[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@@]21C 33820868 QURUUUBBQMXRPI-KUEYJUPNSA-N 378.597 4.386 0 1 GIAF O=c1cc(Cn2c(-c3cncs3)nc3ccccc32)c2ccc(F)c(F)c2[nH]1 72107055 VOOBOBZATBWARO-UHFFFAOYSA-N 394.406 4.328 0 1 GIAF Fc1ccc(CNc2ncnc3c2nc(C2CC2)n3CCc2ccccn2)cc1 82186046 MYFZLOHYGQTIAU-UHFFFAOYSA-N 388.450 4.093 0 1 GIAF COCCn1c(C2CCCCC2)nc2c(NCCc3cccc(F)c3)ncnc21 82179582 WYSCGTFPEBYEQR-UHFFFAOYSA-N 397.498 4.314 0 1 GIAF CN(C(=O)Cc1ccccc1)C1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 84604671 SBMDSJBGWCTTBK-UHFFFAOYSA-N 390.449 4.371 0 1 GIAF NC(=O)c1ccc2nc(-c3ccc(C(=O)c4ccccc4Cl)cc3)[nH]c2c1 140685207 YDIBGCOGYGFJDD-UHFFFAOYSA-N 375.815 4.213 0 1 GIAF CCc1n[nH]c2ncc(-c3cc(C4CCOCC4)n(C4CC(F)(F)C4)n3)cc12 146455169 YRWMRLFGYFPNLC-UHFFFAOYSA-N 387.434 4.248 0 1 GIAF CCOc1ccccc1-c1cccn2nc(Nc3ccc4c(c3)CCNCC4)nc12 96169751 LTPHZQBJCGYNFF-UHFFFAOYSA-N 399.498 4.227 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(Cl)c31)[C@@H]1CC[C@H](C2)N1 96175203 AWUGQHJDRNZLDK-PXAZEXFGSA-N 386.904 4.014 0 1 GIAF COC(=O)[C@]1(Cc2ccccc2C(F)(F)F)CC(=O)O[C@@]1(C)c1ccccc1 299838723 QWNMTFDNUIKFLD-PMACEKPBSA-N 392.373 4.270 0 1 GIAF Cc1cc2c(cc1[C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCCO2 587833757 IAEDOABUHSDNMA-NSPYISDASA-N 392.268 4.291 0 1 GIAF CC(C)C[C@]1([C@@H]2CCCNC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791515 GDEPUTTWQXXAEY-ZBQZNYHESA-N 383.349 4.363 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CN(C(=O)OC(C)(C)C)C2)N1 587762981 WAKRYOIBHYPZNQ-MGPLVRAMSA-N 399.304 4.030 0 1 GIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc1 586881886 YXIGBFGUOOXLBD-UHFFFAOYSA-N 384.395 4.485 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cc(Br)cc(C)c2[nH]1)c1ccc(C)cc1 587205992 IJIIXLHSPLDVNR-INIZCTEOSA-N 386.293 4.362 0 1 GIAF CCCCS(=O)(=O)N[C@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)C(C)C 586933018 LQXMPNQKBFITQK-AWEZNQCLSA-N 378.325 4.286 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc3c(c12)CCO3 587609603 OGJDAACLDWAVEU-URXFXBBRSA-N 386.403 4.130 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3ccc(F)cc32)N1 587736656 WRDWSVMLXRGXKV-XTZNXHDOSA-N 379.248 4.321 0 1 GIAF FC(F)(F)c1ccn(CCc2nc3cc(Cl)cc(Br)c3[nH]2)n1 587117250 BGLUPVIWBWONBW-UHFFFAOYSA-N 393.594 4.437 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CCC[C@@H]1C(=O)OC 587484183 YSXGYRBTWIXRAK-DVECYGJZSA-N 394.467 4.331 0 1 GIAF COc1cc(C)ccc1-c1nc2c(Br)cnc(Br)c2[nH]1 587926406 YUCUWHVAELUUII-UHFFFAOYSA-N 397.070 4.467 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)NCc1ccc(C)cc1)CC2=O 587471074 QIYOIKZQJZYLHX-QHCPKHFHSA-N 381.472 4.084 0 1 GIAF COc1cc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Cl 587133096 WYLKZFVWZLNTFA-SECBINFHSA-N 387.814 4.195 0 1 GIAF O=C(CCc1nc2cc(F)cc(Br)c2[nH]1)Nc1cccc(F)c1 587162886 MOSVEBZRMZTHMZ-UHFFFAOYSA-N 380.192 4.175 0 1 GIAF CCOc1cc(/C=C/c2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1OC(F)F 587130106 KCQXMRXTPRYCRT-SBLNNXNXSA-N 388.374 4.457 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@H]3CCCN(C)C(=O)OC(C)(C)C 963056719 LWTXZHAQXPQCTB-KRWDZBQOSA-N 385.508 4.077 0 1 GIAF CC[C@@]1(c2ccc(Br)cc2F)NCCc2c1c(C(C)C)nn2C 962918054 MRQPQVFFYRHADI-SFHVURJKSA-N 380.305 4.244 0 1 GIAF COc1cccc([C@@]2(c3cccc(F)c3F)NCCc3cc(C)c(F)cc32)n1 962092454 NCLFVDDRRHZOPQ-QFIPXVFZSA-N 384.401 4.254 0 1 GIAF Cn1ncc2c1CC(C)(C)C[C@@]21NC2(CC2)Cc2ccc(Br)cc21 961747129 GLFKLPSYNQQWHY-FQEVSTJZSA-N 386.337 4.077 0 1 GIAF O=C(NCc1ccccc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 5231589 NQHHWSPBOHXOCY-UHFFFAOYSA-N 378.497 4.182 0 1 GIAF CCCOc1cnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(C)c1 169709227 RJKNKKHLHQEWJY-LAUBAEHRSA-N 397.519 4.034 0 1 GIAF CC(C)(C)c1ccc(-c2ccc3c(c2)C(=O)N(Cc2ncccn2)CCO3)cc1 206192721 WCLBAKUNVKAYNY-UHFFFAOYSA-N 387.483 4.476 0 1 GIAF Fc1ccc([C@H]2CCCN2CCCn2nnc(-c3ccccc3Cl)n2)cc1 1857601978 BFNSTAAQKPEMNS-LJQANCHMSA-N 385.874 4.360 0 1 GIAF CNC(=O)c1cc(Oc2ccc3c(C)c(-c4noc(C)n4)sc3c2)ccn1 1857639296 CPLLAKMYNPEBCL-UHFFFAOYSA-N 380.429 4.115 0 1 GIAF CCCCN[C@H](c1cc2cc(OC)ccc2[nH]c1=O)P(=O)(OCC)OCC 1857764700 YOKHNPYPTMIZPR-IBGZPJMESA-N 396.424 4.191 0 1 GIAF COc1cc(C)cc([C@H]2c3cc(O)cc(OC)c3C(=O)N2CCC(C)C)c1OC 2356375719 JIUDAJHGOQAJBK-OAQYLSRUSA-N 399.487 4.318 0 1 GIAF COc1ccc(-c2c(-c3ccc(OC)c(OC)c3)nc3ccccn3c2=O)cc1 103238370 QNALVEINXKGDOF-UHFFFAOYSA-N 388.423 4.054 0 1 GIAF O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=C/[C@@H](O)[C@@H]3CCc4ccccc43)[C@H](O)C[C@H]2C1 26154703 GNAKQYNBEYESRS-DVPRHCAESA-N 396.527 4.222 0 1 GIAF CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCCN(C)C)c1ccccc1 28953458 HBHHQROCMYJFKL-QFIPXVFZSA-N 385.458 4.010 0 1 GIAF O=C(O)C[C@H]1CCN(CC2CCCCC2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356661166 SDMLVKGQYLNAFP-IAGOWNOFSA-N 387.499 4.238 0 1 GIAF CC(=O)Nc1cc(-c2cccc(CO)c2)cn2c(-c3ccc(C(C)=O)cc3)cnc12 61907524 MFQXFEYIOMGEJH-UHFFFAOYSA-N 399.450 4.322 0 3 GIAF O=C1CCCN1Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1F 66102609 FMFRNCRYWTXTOL-UHFFFAOYSA-N 381.373 4.031 0 1 GIAF in-vitro CCCCC1([C@@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 39409374 SJYHFXKOZHUXKM-QGHDLKEWSA-N 394.552 4.255 0 1 GIAF COc1ccccc1N1CCN(CC(=O)c2ccc(-c3ccccc3)cc2)CC1 37133306 QWQXEWXXVXIILH-UHFFFAOYSA-N 386.495 4.367 0 1 GIAF COc1cc(N[C@H](C)CCCN2C(=O)[C@@H](C(C)C)NC2(C)C)c2ncccc2c1 43075487 LSPPUZWYYVSPQJ-OXQOHEQNSA-N 398.551 4.017 0 1 GIAF Cc1sc(NC(=O)C2=C(C(=O)O)CCCC2)c(-c2nc(C3CC3)no2)c1C 147053099 BKGWWAQQJDRZSV-UHFFFAOYSA-N 387.461 4.186 0 1 GIAF O=C(NCc1c(Cl)cncc1Cl)c1ccc2[nH]nc(-c3ccncc3)c2c1 653851604 BBCPGZQFIGPLPC-UHFFFAOYSA-N 398.253 4.257 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCC(=O)O)(c2cccs2)N1 587848901 POIUUBQCCOUFJM-QGHHPUGFSA-N 398.297 4.292 0 1 GIAF CC(C)n1ncc2c1CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587761427 UGJBOHNQGCFZTO-BLVKFPJESA-N 392.316 4.480 0 1 GIAF COc1cc2nc([C@H](CSCc3ccccc3)NC(C)=O)[nH]c2cc1Cl 586971987 CSVPNXYIGGYZOY-KRWDZBQOSA-N 389.908 4.336 0 1 GIAF CCC[C@H](C)OC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793348 NPRXEKIEIOMDRU-PZROIBLQSA-N 386.305 4.460 0 1 GIAF COc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526500 SWCDMKLJDCLIBQ-HSZRJFAPSA-N 380.440 4.300 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cccc(C)c1)CC2=O 587481537 NBJVUFNJNAWULC-HSZRJFAPSA-N 382.456 4.467 0 1 GIAF C[C@@]1(c2nc3ccc(F)cc3[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567579 DZLUFVLVXUWZFW-PGRDOPGGSA-N 390.370 4.285 0 1 GIAF O=C(O)/C=C/c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601617 DZMQSDDLRFCOBH-IEMVCSSISA-N 388.375 4.193 0 1 GIAF CC1(C)[C@@H]2OCCC[C@@H]2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587357957 PCZDBZCXPLXSRK-ICGULJKJSA-N 382.431 4.464 0 1 GIAF Cc1ncc(-n2c(O)ccc2OCCCc2ccccc2)nc1Br 587941402 OQVRPGOPOWBBPA-UHFFFAOYSA-N 388.265 4.055 0 1 GIAF CCOCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587589841 AWMWILBJEVDHKP-NFBKMPQASA-N 392.407 4.468 0 1 GIAF COC(=O)C(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2c(C(=O)O)cccc12 587638871 RXCGTJVDIKKARY-UHFFFAOYSA-N 392.194 4.196 0 1 GIAF C[C@H](O)Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587606326 DMSMOQYTGJBFPR-WRPOGVCQSA-N 376.408 4.018 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ncc[nH]1)c1cccs1 587609368 BSHXMUDIXNMZFF-LAUBAEHRSA-N 390.420 4.082 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1cccc(F)c1)(c1nccn1C)CC2=O 587467258 PWGPWZOXFVHOMO-JOCHJYFZSA-N 380.419 4.126 0 1 GIAF COCOc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587809140 QVCOKQRTBVTIBO-BLVKFPJESA-N 394.284 4.369 0 1 GIAF C[C@@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606207 CHCHSAAMUJQVHW-REWPJTCUSA-N 390.391 4.040 0 1 GIAF COc1ccc(N2C(=O)c3[nH]nc(C(C)(C)C)c3[C@H]2c2ccccc2OC)cc1 144634399 KMBGLBYJMAKWHP-HXUWFJFHSA-N 391.471 4.474 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@](c3ccc(F)cc3Cl)(C(F)(F)F)c3cccc1c32 963040000 ZWCZDJQKOFGIFO-MGNBDDOMSA-N 398.787 4.338 0 1 GIAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@]34CCCc3ccncc34)C2)cc1 962624688 FEIOCMQAVSEAGF-ZEQKJWHPSA-N 381.523 4.408 0 1 GIAF O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cc1)N1Cc2ccccc2C1 1772645981 DFFUKTYAAFJSJU-UHFFFAOYSA-N 378.453 4.067 0 1 GIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cocn3)cc2)c1C 13809631 BQEPLLPCPMRGBT-UHFFFAOYSA-N 395.440 4.414 0 1 GIAF O=N[C@@H]1CCc2cc(-c3cn(C[C@@H]4CCCNC4)nc3-c3ccncc3)ccc21 169686136 YLWQVOLMOFXGGH-OPAMFIHVSA-N 387.487 4.365 0 1 GIAF CCN1CCN(C(=O)c2cn(CC3CCCCC3)c3c(OC)cccc23)C[C@H]1C 205020467 FCJAQMHQTHNQML-GOSISDBHSA-N 397.563 4.396 0 1 GIAF O=S(=O)(NCc1cccc(-c2ccc(F)cc2)c1)c1cc2ccccc2[nH]1 203656590 CAONPWLOFNTLMC-UHFFFAOYSA-N 380.444 4.453 0 1 GIAF COC(C)(C)[C@H](O)CCC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12 2356397038 DXUCGAHPDLXISA-LJQANCHMSA-N 386.444 4.430 0 1 GIAF CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 103539729 YUVGFXBITFCLLU-IBGZPJMESA-N 386.879 4.007 0 1 GIAF CCCNC(=O)NC[C@@H]1C=C(C)[C@@H](Cc2nc3cccnc3[nH]2)C[C@H]1C(C)C 2356313698 STMDYMDLPKJLCY-SQNIBIBYSA-N 383.540 4.064 0 1 GIAF CCCC1([C@@H](O)C/C=C/[C@@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 26165844 PAYNQYXOKJDXAV-RUNSMBAHSA-N 394.552 4.255 0 1 GIAF CCOCn1nnc(-c2ccnc(Oc3ccccc3)n2)c1-c1ccc(F)cc1 29402490 YKMKSMOKJRIHNO-UHFFFAOYSA-N 391.406 4.328 0 1 GIAF Cn1c(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)nc2ccccc2c1=O 36408489 HXXOPBABZWRPHK-QFIPXVFZSA-N 380.451 4.289 0 1 GIAF O=C(CCc1cccc(-c2nc3ccccc3[nH]2)c1)NCc1ccc2n[nH]cc2c1 1911574451 UEKCNJIWGNNVNQ-UHFFFAOYSA-N 395.466 4.355 0 1 GIAF CC(C)=Cc1c(C)cccc1C(=O)N[C@@]1(C(=O)O)Cc2ccc(F)c(F)c2C1 43202051 BMBSLTRHUKLFAS-QFIPXVFZSA-N 385.410 4.048 0 1 GIAF COc1ccc(Cn2c3ccc(Br)cc3c3c(C)nnc(O)c32)cc1 84731672 RLMVBDOMJXQMEV-UHFFFAOYSA-N 398.260 4.418 0 1 GIAF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1-c1ccco1 82143025 UGMRMTMGJYPECB-UHFFFAOYSA-N 390.487 4.388 0 1 GIAF COc1ccc(Nc2ncnc3ccc(-c4ccc(O)c(OC)c4)cc23)cc1O 143096734 OUZLTSCGCAFBAX-UHFFFAOYSA-N 389.411 4.469 0 1 GIAF O=C(Cc1c(F)cccc1F)Nc1cc(COCc2ccc(F)cc2)ccn1 95588157 MYVYRGZOHGVKKE-UHFFFAOYSA-N 386.373 4.397 0 1 GIAF O=C1CS[C@@H](c2ccccn2)N1c1nnc2c3cc(Cl)ccc3nc-2s1 98083908 BGXJBFIMRZPJSZ-INIZCTEOSA-N 399.888 4.018 0 1 GIAF COCCC(=O)Nc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 95587965 MCKPLODGBCOICL-UHFFFAOYSA-N 399.454 4.410 0 1 GIAF CCOc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C(Cl)[C@@H](c4ccccc43)[C@@H]2C1=O 252593064 BIUBPNDUNFZVLJ-PSAKCFHXSA-N 379.843 4.208 0 1 GIAF Clc1ccc2c(NCCNc3ccnc(N4CCCCC4)n3)ccnc2c1 653876683 RCTOVOJVRZTLTM-UHFFFAOYSA-N 382.899 4.193 0 1 GIAF Brc1ccc(-c2nc3cc(I)ccc3[nH]2)o1 587008392 WCGZBZXRFQXJTL-UHFFFAOYSA-N 388.990 4.190 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(NC(=O)C(C)(C)C)ccnc1Cl)O2 587378188 ALRLIGFPAUNGKW-HNNXBMFYSA-N 387.867 4.317 0 1 GIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1O 587545773 PKPVMMRHORUSAY-IIBYNOLFSA-N 398.798 4.463 0 1 GIAF Cc1nc2sccn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587853581 AMBIKBOZMLINES-CLAHSXSESA-N 380.286 4.229 0 1 GIAF C[C@@]1(c2nc3cccc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171825 BPKISPIEZCBWAU-KRWDZBQOSA-N 375.197 4.093 0 1 GIAF CCCn1ncc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587764811 RHXNZZIXCAIXLK-ADLMAVQZSA-N 380.305 4.301 0 1 GIAF O=C1C[C@@]2(C[C@H](C(=O)O)Oc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587497498 BERABMDJKOVLQL-KNQAVFIVSA-N 398.842 4.315 0 1 GIAF O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1ccc(C(F)(F)F)cc1 587652061 VCTNXUGQFXQJKE-UHFFFAOYSA-N 383.782 4.314 0 1 GIAF O=C(O)Cc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622402 MNWGVEZAFAFMKF-UHFFFAOYSA-N 388.196 4.240 0 1 GIAF COc1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc2cn1 587144263 GYTUFDZLBKQDOK-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nc(O)oc3c2)N1 587777156 FORMKCKPRVWKLV-DYBLOJMWSA-N 391.240 4.233 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(O)nc2Cl)N1 587853131 PABGOBBWBQYZBX-XUOSJQGZSA-N 377.666 4.027 0 1 GIAF CCOC(=O)C[C@@]1(CC2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799302 RROFLNCBRKJZEE-CWTRNNRKSA-N 398.316 4.461 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ncccc1-c1cccnc12 587777298 GPORWAMORXYCSO-LLVKDONJSA-N 396.263 4.185 0 1 GIAF COc1ccc(-c2cc(O)n(NCc3ccccc3Br)c2O)cc1 587941050 PGOZCPXUMDDRRW-UHFFFAOYSA-N 389.249 4.081 0 1 GIAF Cc1c(Br)cnc2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc12 587081757 DTBSCCFQDBYNMK-UHFFFAOYSA-N 393.672 4.283 0 1 GIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C)cc1C 587392911 XJVPZAMEXSNSTI-JOCHJYFZSA-N 391.471 4.154 0 1 GIAF Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnn1C(C)C 587763095 HXMKBRNMXKNMPT-ZMZPIMSZSA-N 380.305 4.472 0 1 GIAF O=C(Cc1cccc(F)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655319 BOEZFYKDRIXGRT-UHFFFAOYSA-N 394.352 4.364 0 1 GIAF Cc1ccnc2c1CCN[C@@]21CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccccc1 963068048 JRHQOVBNRJQMDP-GBXCKJPGSA-N 393.531 4.156 0 1 GIAF Oc1nc2c(c3nc(-c4cccc(Cl)c4)cn13)CN(Cc1ccccc1)CC2 13492015 OXVOSBJLVAHMNE-UHFFFAOYSA-N 390.874 4.314 0 1 GIAF O=C(CCCCCN1CCN(c2nc3ccccc3o2)CC1)c1ccccc1O 13493251 IJRJELSAFPXXEI-UHFFFAOYSA-N 393.487 4.099 0 1 GIAF NC(=O)c1cc(-c2ccc(F)cc2)c2sc(COc3ccc(F)nc3)cc2n1 1857544135 ZLJDDVKDWWNBCA-UHFFFAOYSA-N 397.406 4.314 0 1 GIAF Cc1nc(CCN2CCN(Cc3ccc(F)cc3)CC2)cc(-c2cccs2)n1 1857576282 YMMYIOZWUGPBMW-UHFFFAOYSA-N 396.535 4.013 0 1 GIAF Cc1ccc(CN=c2[nH]c(=NCc3cccs3)[nH]c3ccsc23)c(C)c1 1857577622 YROPBCFIXPDIQN-UHFFFAOYSA-N 380.542 4.438 0 1 GIAF O=c1ccc2cc3ccoc3c(OCc3nncn3-c3ccc(Cl)cc3)c2o1 1857628545 VFMKJLUGRDFIMZ-UHFFFAOYSA-N 393.786 4.352 0 1 GIAF O=C(Cc1ccccc1)Nc1ccc(CC2=CC(=O)O/C2=C/Br)cc1 1857746828 WRHWIDDLMZVTJJ-QGOAFFKASA-N 398.256 4.130 0 1 GIAF O=C(CN1CCCCC1)Nc1cncc(-c2cc(-c3cccnc3)cs2)c1 1857773775 SCHXBRQNCSKZPH-UHFFFAOYSA-N 378.501 4.297 0 1 GIAF COc1ccc(-c2cc(-c3nccs3)c(=O)n(C)c2-c2ccncc2)cc1 582726 MRBNIDFDWVVALT-UHFFFAOYSA-N 375.453 4.246 0 1 GIAF COCCN(C(C)=O)[C@@H]1CCC2(SCCS2)c2[nH]c3ccccc3c21 1645610 KJHPNNIYKNSSCW-MRXNPFEDSA-N 376.547 4.131 0 1 GIAF CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N1CCOCC1 4310697 FRBYRNFNDRXJLT-OALUTQOASA-N 396.890 4.352 0 1 GIAF CCc1ccc2c(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)nn2n1 28392551 CKHSBMPDVLORNB-UHFFFAOYSA-N 395.459 4.168 0 1 GIAF CC(C)Cc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 29245581 PUTKRTFRWKZYOH-UHFFFAOYSA-N 395.406 4.454 0 1 GIAF COc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1 34613688 BYOCWQRQXVLHCP-RTWAWAEBSA-N 390.395 4.139 0 1 GIAF CC(=O)NCCCN(CCCN1CCCCCCCCCCCCC1)C(C)=O 36443076 RCSMSBDBQVMFGH-UHFFFAOYSA-N 395.632 4.358 0 1 GIAF biogenic CCOc1cc(C)c(Nc2nc(Cl)cn([C@@H](COC)C3CC3)c2=O)cc1C 43080619 MMZVSBHXIIOUOF-INIZCTEOSA-N 391.899 4.253 0 1 GIAF O=C1CCCc2cc(Nc3ncc(C(F)(F)F)c(NC4CCC4)n3)ccc2N1 45498534 YGXQGDCKKNZRJA-UHFFFAOYSA-N 391.397 4.478 0 1 GIAF O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2cccnc2)nc2ccccc12 66111631 MNCZXHYWAKPTOM-UHFFFAOYSA-N 383.367 4.192 0 1 GIAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](C)[C@H](C)C2 68590535 VEQBQKQQMKJDES-NEPJUHHUSA-N 386.444 4.412 0 1 GIAF biogenic Cc1cnc(N2CCC(N3CCCC3)CC2)nc1Nc1ccc2c(c1)CCC2 82203809 QLODCLDOWLUNOX-UHFFFAOYSA-N 377.536 4.082 0 1 GIAF O=C(Cc1ccccc1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1 84671007 SPKYRBCACGSJOI-UHFFFAOYSA-N 399.538 4.233 0 1 GIAF Nc1ccccc1NC(=O)c1ccc(NCC(=O)Nc2ccc(Cl)cc2)cc1 84730125 CVWFZZKZXMLEJI-UHFFFAOYSA-N 394.862 4.225 0 1 GIAF CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)N[C@@H](C)c4ccccc4)c3)C(=O)[C@H]2C1 100694608 SZXLBEAQLHMGMU-DQLDELGASA-N 388.467 4.023 0 1 GIAF CCCN(C(=O)Nc1nc(C)cs1)c1ccc(OC(C)(C)C(=O)O)cc1 103242853 AVDJEHSTQGVQRI-UHFFFAOYSA-N 377.466 4.142 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(OCCF)c1 167102428 MWNFJPWQSWLDKS-QAPCUYQASA-N 387.451 4.162 0 1 GIAF CC(C)CN(C=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169301170 NXXBOHRMYWWVFA-CTXXSDHQSA-N 388.596 4.333 0 1 GIAF C=C(Br)C(=O)Nc1cccc(/C=C/C(=O)Nc2ccc(C)cc2)c1 169348574 MWTGQWROMUWHNN-DHZHZOJOSA-N 385.261 4.494 0 1 GIAF CC1(C(=O)N2CCC3(CC2)CC(=O)NC[C@H]3c2cccc(F)c2)CCCCC1 257297327 RGUCCDWBVOLMHI-IBGZPJMESA-N 386.511 4.008 0 1 GIAF CN1CCN(c2cccc(-c3ccncc3-c3cc(F)c(O)c(F)c3)c2)CC1 473086001 AJGHEMDMZKKTSJ-UHFFFAOYSA-N 381.426 4.151 0 1 GIAF O=C1c2ccccc2-c2c(CCO)c(-c3ccc(F)cc3)nc3ccc(O)c1c23 586989121 XNMYSCXIWXUSST-UHFFFAOYSA-N 385.394 4.493 0 1 GIAF Clc1ccc(-c2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)nn1 587085421 ROYJCONDBIYCAX-UHFFFAOYSA-N 386.640 4.498 0 1 GIAF CC(C)(C)Oc1cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(N)cc1F 587136658 UUAFSUYGZDVBAX-UHFFFAOYSA-N 379.338 4.450 0 1 GIAF Cc1cc(C)c2[nH]c([C@H](N)Cc3ccc(I)cc3)nc2c1 587183147 AZVJQFIQDNVUMP-CQSZACIVSA-N 391.256 4.027 0 1 GIAF CCOC(=O)CNc1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 587226585 BNZFZAOKFMOQOE-UHFFFAOYSA-N 379.338 4.104 0 1 GIAF COc1cc(Br)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1OC 587378218 SQZWVKXULQGGEU-OAHLLOKOSA-N 392.249 4.063 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ccccc2N(C[C@@H]2CO2)c2ccccc21 587398898 JCWFXZZCHDILGK-MRXNPFEDSA-N 398.462 4.337 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)c(Br)c1)[C@@H](C2)C3=O 587411520 CXHKPOCGEYFSLY-DJJJIMSYSA-N 388.261 4.012 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)[nH]c3ccccc3c1=N)CC2=O 587472965 PBGBWBFHXPCEQH-HSZRJFAPSA-N 376.456 4.494 0 1 GIAF O=C(O)c1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587549610 RWVVGYVIYWGVRU-FXAWDEMLSA-N 396.782 4.447 0 1 GIAF CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1OC(=O)c1ccccc1F 587649842 LSSWPKLHNVYEIS-UHFFFAOYSA-N 389.448 4.227 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3[nH]c(Cl)ncc2-3)N1 587706556 QNISPZULNURFPR-JKYUHCHBSA-N 395.663 4.088 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)c[nH]c3nccc2-3)N1 587727379 BYBXFRFIZZDQNV-PWJLMRLQSA-N 378.220 4.179 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CCC(=O)[C@@]3(C)CC2)N1 587819874 WWIBUNIVRHWJRW-KQPNJSLMSA-N 378.285 4.407 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(C)c1C 587867647 LZFHDJZRYUEAPJ-UHFFFAOYSA-N 375.350 4.278 0 1 GIAF COc1cccc(CC(=O)Nc2cnc3cnc(-c4ccc5[nH]ccc5c4)cn23)c1 653665414 XUMJSXBFNCSJTP-UHFFFAOYSA-N 397.438 4.067 0 1 GIAF O=C(O)C1([C@]2(c3ccccc3)NC3(CC3)Cc3ccc(Br)cc32)CC1 961613814 HVNVRFHXZSSCRV-OAQYLSRUSA-N 398.300 4.236 0 1 GIAF COC(=O)C[C@H]1CCCCC[C@@]12c1ccsc1CCN2Cc1cccn1C 962399426 PQTGDNHAZXBPGS-VGSWGCGISA-N 386.561 4.484 0 1 GIAF CCOc1cccc([C@@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962697083 KWBXBYKYIWNRJS-PKOBYXMFSA-N 397.368 4.106 0 1 GIAF Cc1ccc(C)c(-c2csc([C@H]3NCCc4ccc(C(=O)N(C)C)cc43)n2)c1 962920092 CUOICHMPZBBNMB-NRFANRHFSA-N 391.540 4.364 0 1 GIAF CCS(=O)(=O)c1cccc([C@H]2c3ccsc3CCN2Cc2cccnc2)c1 962993568 JTJNNEKXTUACKN-NRFANRHFSA-N 398.553 4.084 0 1 GIAF CCCCC(F)(F)[C@@]1(CP(=O)(OC)OC)NCCc2ccc(O)cc21 963353855 UNWIVHQYSFEHED-INIZCTEOSA-N 377.368 4.045 0 1 GIAF CC(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@@H](OC(=O)C(C)C)c3c(C)coc3C(=O)[C@@H]12 2356745082 BSVVKCYFWUIZLC-YICZMQOQSA-N 376.449 4.009 0 1 GIAF O=C1CN(C(=O)c2ccccc2F)[C@@H](c2ccccc2)c2cc(F)ccc2N1 2456687 ACPDRERUXACFGP-NRFANRHFSA-N 378.378 4.149 0 3 GIAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@H]1c1cccc(Cl)c1Cl 8653824 HAQDEJPEAKWAAM-DZGCQCFKSA-N 384.259 4.178 0 1 GIAF Cc1nnc2n1[C@H]1SC(Br)=C[C@@H]1C(c1ccccc1Cl)=NC2 11616523 QOPLLZDCYUZSDV-BMIGLBTASA-N 395.713 4.341 0 1 GIAF in-man O=C(CCCCCCc1ccc2c(c1)OCO2)CC(=O)c1ccc2c(c1)OCO2 13378307 DYTYBIQEULFWIT-UHFFFAOYSA-N 396.439 4.479 0 1 GIAF biogenic CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1 13981423 WZZXJQIDLWOBDU-UHFFFAOYSA-N 376.500 4.115 0 1 GIAF Cc1c(CCCC(=O)O)c2cc(C(=O)O)ccc2n1C(=O)c1ccc(Cl)cc1 28126717 KQJRYWXWGPKVKR-UHFFFAOYSA-N 399.830 4.397 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc([C@H](C)N3CCCC3)cc1)C2 28344346 NHEKQZLGKSZIOS-OYHNWAKOSA-N 381.472 4.047 0 1 GIAF CS(=O)(=O)c1ccc(/C(=C\C2CCCCC2)C(=O)Nc2nccs2)cc1 38465923 SANUEZHQGWAUCN-GHRIWEEISA-N 390.530 4.149 0 1 GIAF CC(C)C[C@H](N)C(=O)N[C@H](C)P(=O)(Oc1ccccc1)Oc1ccccc1 96167876 ACWHGKCGYSSTMT-LPHOPBHVSA-N 390.420 4.173 0 1 GIAF O[C@H]1CCN(Cc2ccc(F)cc2)C[C@@H]1N1[C@@H]2CC[C@@H]1CC(c1ccccc1)C2 100799555 NFSPGABTRZUJES-NGSHPTGOSA-N 394.534 4.172 0 1 GIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 104076663 BFAOBYWANQEMPL-QVKFZJNVSA-N 396.487 4.248 0 1 GIAF COc1c(C(=O)CC(=O)c2ccc3c(c2)OCO3)ccc2c1C=CC(C)(C)O2 154495901 LHCSKOARRBVEJM-UHFFFAOYSA-N 380.396 4.064 0 1 GIAF biogenic,in-vitro COc1ccc(-c2nnc([C@@H](NCc3ccc(F)cc3)c3ccc[nH]3)o2)cc1 169307909 GCONHLYNKFGVHH-IBGZPJMESA-N 378.407 4.092 0 1 GIAF O=C(Cc1sc(N2CCCCC2)nc1O)Nc1cccc(C(F)(F)F)c1 169690609 VHCBXHHDIQNXOU-UHFFFAOYSA-N 385.411 4.039 0 1 GIAF Cc1cc(C)c(-c2[nH]ncc2Cl)cc1C(=O)N1CC(c2ccc(C#N)cc2)C1 220777484 VLOMZEQSXNAUSC-UHFFFAOYSA-N 390.874 4.458 0 1 GIAF CC(C)(C)S(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224701791 FZNVAJBHSCYZFV-UHFFFAOYSA-N 385.464 4.104 0 1 GIAF COc1ccc([C@H]2C[C@]3(N(C)C)CC(=O)[C@@H]2[C@H](c2ccc(OC)cc2)C3)cc1 253686421 WBXYNNSCFVZSCS-COSOUPRKSA-N 379.500 4.254 0 1 GIAF CN(C)CCn1c(/C=C/c2ccc(Cl)cc2Cl)nc2ccccc2c1=O 299866908 WWPACLBOGJFDFJ-CSKARUKUSA-N 388.298 4.435 0 1 GIAF O[C@@H]1CC[C@@H](OCc2ccc(F)cc2)C[C@H]1N1CC=C(c2ccccc2)CC1 473108854 OYOXPCQBRXHIQH-WXFUMESZSA-N 381.491 4.414 0 1 GIAF Cc1cc(Br)c2[nH]c(/C=C/S(=O)(=O)c3ccccc3)nc2c1 586926361 ONWQAERNNWPLER-BQYQJAHWSA-N 377.263 4.078 0 1 GIAF CCc1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 586951258 SHPQISIOPVSWGK-UHFFFAOYSA-N 398.532 4.058 0 1 GIAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586995865 KCEDJRNGRCNJCF-UHFFFAOYSA-N 387.237 4.221 0 1 GIAF O=C1CCc2cc3nc(-c4cc(Br)c(F)cc4F)[nH]c3cc2N1 587136886 YDNVTYCOABXEMG-UHFFFAOYSA-N 378.176 4.155 0 1 GIAF COc1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2n1 587138255 FKNQTOFBXTYNQZ-UHFFFAOYSA-N 381.338 4.277 0 1 GIAF C[C@@]1(c2nc3cc(Br)c(F)cc3[nH]2)C=C(c2ccccc2F)NO1 587155650 JNORGPODARFPQV-KRWDZBQOSA-N 392.203 4.395 0 1 GIAF O=C(/C=C/c1nc2cc(F)cc(Br)c2[nH]1)Nc1ccc(F)cc1 587166239 APPVCKOXKDEILT-AATRIKPKSA-N 378.176 4.256 0 1 GIAF N[C@@H](Cc1nc2ccc(Br)c(O)c2[nH]1)c1cccc2ccccc12 587259679 YTTPKTPKYQVBDK-HNNXBMFYSA-N 382.261 4.427 0 1 GIAF CC[C@@]1(c2ccc(OCCCCC(=O)O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587400793 OTVVFYSNKCWYKQ-QHCPKHFHSA-N 397.471 4.482 0 1 GIAF COC(=O)c1sccc1-c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)o1 587411722 UXRKANWHPDXLQP-QGZVFWFLSA-N 383.425 4.392 0 1 GIAF COc1cc2c3c(c1)O[C@](c1cccnc1)(C(C)(C)c1cccnc1)[C@@H](C2)C3=O 587435344 DYNPKFBTXVJTON-CYFREDJKSA-N 386.451 4.106 0 1 GIAF O=C1C[C@H](c2ccc(OCc3ncon3)cc2)Oc2c1ccc1c2CCCC1 587525830 OOVVOLKJLGLGKL-HXUWFJFHSA-N 376.412 4.234 0 1 GIAF CCN[C@H](C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574237 WGJJFOLTKVPJCB-WONHAXNMSA-N 389.451 4.247 0 1 GIAF CCC(CC)N1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587582517 LSZPWQXXUDCRAQ-HXUWFJFHSA-N 381.472 4.377 0 1 GIAF COc1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587586769 JPOYMOGFHJPJLN-NQIIRXRSSA-N 391.423 4.067 0 1 GIAF COc1ccccc1Cn1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655657 CXMZYGIITKAYQY-UHFFFAOYSA-N 378.378 4.399 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCNC(=O)OC(C)(C)C)N1 587751960 CGCGROXOISMFEF-GXFFZTMASA-N 387.293 4.078 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCN2C(=O)OC(C)(C)C)N1 587760452 JZSTZXSRGIGXGS-UHNFBRDESA-N 399.304 4.173 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccccc3)c2)N1 587761415 UFVFTMLVZAUWNG-BLVKFPJESA-N 386.268 4.398 0 1 GIAF Cc1nc2c(C)cccn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587776881 YUSAZFDZLKGCIQ-APPDUMDISA-N 388.284 4.476 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587792726 CMLYUDAARVBYRY-SEDUGSJDSA-N 384.289 4.071 0 1 GIAF CCOC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C 587793060 QBLOVUYQHYFXDL-XYZCENFISA-N 395.272 4.025 0 1 GIAF CCOC(=O)[C@@]1(CC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800802 ZIBIMYTXWOPGEN-VOJFVSQTSA-N 386.305 4.317 0 1 GIAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2cccc(F)c2)c1O 587944121 BXEPQAKZVGRCOS-INIZCTEOSA-N 378.306 4.328 0 1 GIAF CC(=O)N1CCc2c(c(Nc3cccc(-c4cccnc4)c3)nn2CC2CC2)C1 1772598413 YSBDLHAKVVSCMY-UHFFFAOYSA-N 387.487 4.003 0 1 GIAF COc1ccc([C@@H]2[C@H]3C=CC=C[C@H]3C(=O)N2c2ccc3nc[nH]c3c2)cc1OC 1772605816 AHLRAQVRFHDKHB-GSHUGGBRSA-N 387.439 4.026 0 1 GIAF O=C(O)[C@@H]1C[C@@H](C2=CCCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 1772624316 KJGLZIKUPDWSJQ-MJGOQNOKSA-N 382.847 4.056 0 1 GIAF COc1cc(Nc2nccc3c(-c4ccccc4)[nH]nc23)cc(OC)c1OC 1772649065 PDMOOGGSAAZHAT-UHFFFAOYSA-N 376.416 4.394 0 1 GIAF Oc1ccc(NC[C@H](O)CNc2ccc(-c3nc4ccccc4o3)cc2)cc1 1857548690 DZXCBEOTRUCYCZ-LJQANCHMSA-N 375.428 4.085 0 1 GIAF CCc1nc(-c2sc3cc(Oc4ccnc(C(=O)NC)c4)ccc3c2C)no1 1857754067 HNYWOUBLAUCAII-UHFFFAOYSA-N 394.456 4.369 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)[C@H](O)CC[C@@]34CO[C@@](C=Cc5ccccc5)(O[C@H]1[C@H]32)O4 2356493903 KCBJXTPRNWHMEW-OXBTUOTGSA-N 384.516 4.381 0 1 GIAF O=C(c1cccc2[nH]ccc12)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 2356645370 NMDPZSTUHAFXNS-JRSMBCBASA-N 375.516 4.203 0 1 GIAF CCN(Cc1ccncc1)[C@H]1CCCN(C(=O)CCCCc2ccccc2)C1 12435622 YOBXLMMZRBJPAK-QHCPKHFHSA-N 379.548 4.308 0 1 GIAF O=C(O)Cc1ccc(Cl)cc1NC(=O)Nc1cccc(Br)c1 13586806 LBWDNZCDWOZSOL-UHFFFAOYSA-N 383.629 4.374 0 1 GIAF O=C(c1ccc(F)cc1)[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl 26008573 WXEOVZHKJXFPPI-SFHVURJKSA-N 379.218 4.100 0 1 GIAF Nc1nc(N)c2c(ccc3c2ccn3Cc2ccc(OCc3ccccc3)cc2)n1 45190890 BPGWDBGJHFZIBE-UHFFFAOYSA-N 395.466 4.376 0 1 GIAF CCCc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1C[C@H]1CCCO1 82188739 GKHUDCLHABDYGC-SJLPKXTDSA-N 379.508 4.173 0 1 GIAF Cc1cccc(-c2noc(C3CN(C(=O)C4CCC(C(F)(F)F)CC4)C3)n2)c1 95574219 PEMKAJXXEDDMBX-UHFFFAOYSA-N 393.409 4.340 0 1 GIAF O=C(c1ccncc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@@H]21 95878124 XDRYBSCMPZZVTB-UEVCKROQSA-N 389.499 4.029 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2cc(Oc3ccccc3)ccc2C(=O)O)cc1 95921136 JLEWSFZFGVKGLO-UHFFFAOYSA-N 383.425 4.286 0 1 GIAF in-vitro O=c1nc(-c2c(F)cccc2F)sn1-c1ccc(OC(F)(F)F)cc1F 103190963 ZVYQTPNEDDOKOO-UHFFFAOYSA-N 392.280 4.277 0 1 GIAF CSc1ccc([C@@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3nnnn32)cc1 104060163 JFYPYVTYNWTFLE-GROYHEBESA-N 385.493 4.209 0 1 GIAF COC[C@@H]1CCCN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139132999 AVQGHOKXWZYGAQ-QGZVFWFLSA-N 391.475 4.270 0 1 GIAF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1O 238764508 UUXOUABMYCIFOZ-OHUMZHCVSA-N 388.504 4.470 0 1 GIAF CC/C=C(C)/C=C(\C)[C@H](O)[C@H](C)[C@@]12O[C@H]3[C@@H](C)[C@@](CC)(O1)O[C@@](O)([C@@H]2C)[C@@H]3C 255260385 QAPANHSCLYNNHY-RULDJZFHSA-N 394.552 4.145 0 1 GIAF COc1cc(Br)c([C@@H](N)c2nc3cccc(Cl)c3[nH]2)cc1OC 586975309 MMBKTMZBEHNZOK-CQSZACIVSA-N 396.672 4.044 0 1 GIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587201511 PPJPHRMQDFWIOV-UHFFFAOYSA-N 386.496 4.029 0 1 GIAF Cc1cnc(Cl)c2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc12 587202916 IHCPOJDSDREEGW-UHFFFAOYSA-N 385.855 4.437 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc(-c4c(N)cccc4O)[nH]c3c2)cc1 587249267 GEFGGVVTWSMHAB-UHFFFAOYSA-N 375.384 4.097 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C34CC5CC(CC(C5)C3)C4)n[nH]1)O2 587396656 NDUNJVNRNMWFAM-XMGSFKNRSA-N 377.488 4.475 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(F)c(Br)cc1C)[C@@H](C2)C3=O 587424825 VUDAERTZBCWFJC-KPZWWZAWSA-N 377.209 4.394 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518752 PGWGVYXWOBHQLM-SYJLOODJSA-N 383.488 4.299 0 1 GIAF COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O[C@@H](C)C(=O)O 587523088 NHWGVSBABXJETA-RNODOKPDSA-N 396.439 4.132 0 1 GIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@]1(CC(=O)c4ccc5c(c4O1)CCCC5)[C@H](C3)C2 587526186 RXSKJALNPQNIQD-POSVIKSXSA-N 380.484 4.269 0 1 GIAF CC[C@]1(CNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568781 DPFSNVQTEACHLL-VGOFRKELSA-N 399.443 4.027 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(C(F)(F)F)N1 587708648 CRSDHFJJQXJRIW-RFAUZJTJSA-N 389.190 4.323 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)c[nH]c3nccc2-3)N1 587729914 IFHHYGXBUWFRIN-DYBLOJMWSA-N 392.247 4.353 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ncc(F)cc23)N1 587735419 UKIKNQUFHJOXPK-PWJLMRLQSA-N 378.220 4.227 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3cnn(C)c23)N1 587761765 VTWQAVQDWIYNFF-JEOXALJRSA-N 388.284 4.273 0 1 GIAF Cc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834602 LPLZFFFEJAXOOX-BUXKBTBVSA-N 376.269 4.457 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1C[C@H]1c1ccccc1 587868903 WSUOICUQEMZZAP-GJZGRUSLSA-N 387.361 4.416 0 1 GIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(Br)ccnc2[nH]1 587926562 IRYOZWYSWWXBDX-LLVKDONJSA-N 376.254 4.280 0 1 GIAF COc1cccc([C@@H](C)Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 587929635 CDOGOAWZADQTEY-JTQLQIEISA-N 389.249 4.378 0 1 GIAF COC(=O)CCNC1CCN(c2cccc(-c3cc4cc(F)ccc4[nH]3)c2)CC1 618011781 HNEKRFBWWRMPQI-UHFFFAOYSA-N 395.478 4.096 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(c1cc3ccccc3nc1O)N(C)[C@@H](C)C2 962633618 KHODSJSGADNVDY-PSLXWICFSA-N 378.472 4.098 0 1 GIAF CCC[C@]1(CCCCCCC(=O)OCC)N[C@H](C(=O)O)Cc2cccc(F)c21 962901647 JYMXQGIFHABNGT-PGRDOPGGSA-N 393.499 4.324 0 1 GIAF Cc1cc([C@]2(c3cccc(Cl)c3)NCCc3c2c(C(C)C)nn3C)ccn1 962913217 BNKOCSFZWNRZQZ-QFIPXVFZSA-N 380.923 4.338 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@](C)(Cc3ccc(OC(F)(F)F)cc3)c3cccc1c32 963038758 ZVDAUODZORTJDB-JLTOFOAXSA-N 390.405 4.096 0 1 GIAF COc1cccc2cc3c(nc12)[C@@](C)(c1c(C)[nH]c(C(=O)O)c1C(C)C)NCC3 963053113 GMUSUGBYHRZJGG-HSZRJFAPSA-N 393.487 4.111 0 1 GIAF CC[C@@H](CO)Nc1ccc2ncc(/C=C/c3cccc(C(F)(F)F)c3)n2n1 1772620186 GWGKDCYRVAQDDJ-LFAOLKIESA-N 376.382 4.101 0 1 GIAF COc1cccc(-c2ccn3nc(NC(=O)c4cccc(Cl)c4)nc3c2)c1 1857550580 YAZHMHGXNGPBSP-UHFFFAOYSA-N 378.819 4.311 0 1 GIAF Cc1cc(C)nc(SCC(=O)Nc2ccc(Sc3cccnc3)cc2)n1 1857581050 WGNLVYIPUQPRRK-UHFFFAOYSA-N 382.514 4.370 0 1 GIAF O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1ccc(-c2cnc[nH]2)cc1 1857772153 YMKFHWJXQNWBRN-UHFFFAOYSA-N 375.457 4.198 0 1 GIAF COc1ccc(C(C)=O)cc1C[C@@]1(C)C(=O)Nc2ccc(OC(F)(F)F)cc21 61897855 KICYFZVILSGYGL-LJQANCHMSA-N 393.361 4.249 0 3 GIAF CCc1nc2c(OCCn3cccc3)cccn2c1N(C)C(=O)c1cccs1 61904377 OATGDLPFOQGQBG-UHFFFAOYSA-N 394.500 4.115 0 3 GIAF CCNC(=O)[C@]1(C)CCCN(Cc2ccc3ccccc3c2Br)C1 61905484 VPMXAQHIMBZWRJ-HXUWFJFHSA-N 389.337 4.341 0 3 GIAF COc1ccccc1C(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccccc1 2724747 YHAAAWVDUQEHOT-JOCHJYFZSA-N 390.414 4.018 0 3 GIAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214648 OUAMMVPUGWXLEZ-BVBHFADKSA-N 378.538 4.182 0 1 GIAF C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 4958652 RYRKHOGVNWMXRH-OAHLLOKOSA-N 385.939 4.371 0 1 GIAF CCOC(=O)[C@@H](C)Oc1ccc(N(C)c2ncc3cc(Cl)ccc3n2)cc1 29253255 AQLGMZXCXUODSB-CYBMUJFWSA-N 385.851 4.382 0 1 GIAF CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2cccc(Cl)c2)c2ccccc12 28525877 HGVTZDORLFUYHV-KRWDZBQOSA-N 388.920 4.168 0 1 GIAF CCOC(=O)c1c(N)oc2c1c(Sc1ccc(C)cc1)c(O)c1ncncc12 73218959 CSBVUROKNBAPCS-UHFFFAOYSA-N 395.440 4.300 0 1 GIAF COc1ccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)cc1 72184413 ZKMFEZVFEPPXHD-UHFFFAOYSA-N 386.455 4.343 0 1 GIAF CN(C)CCN1C(=O)c2cccc3c(SCc4ccccc4)ccc(c23)C1=O 40891509 RGIZPGILROHVQE-UHFFFAOYSA-N 390.508 4.290 0 1 GIAF O=C(Nc1ccc(O)cc1C(F)(F)F)c1cc(NC2CCCCC2)ncn1 49049046 TUFUABZMBAGRDK-UHFFFAOYSA-N 380.370 4.198 0 1 GIAF CSc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)n1 224580052 JNPBGUFJJFXZFQ-UHFFFAOYSA-N 383.452 4.437 0 1 GIAF CC[C@@H]1[C@@H](C)C[C@@]2(O)C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2ccoc2)cn1 84597159 PCFQUZGCPGWVBP-DKYCFHHISA-N 381.472 4.330 0 1 GIAF Cc1nc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc(N(C)C)n1 224575657 ZFGDLOOGIJIILB-UHFFFAOYSA-N 394.454 4.089 0 1 GIAF C[C@@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(OCCN)c(Cl)c1 84688070 YCNLGWNCNYXVDZ-OAHLLOKOSA-N 388.939 4.395 0 1 GIAF CCCc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1C[C@@H]1CCCO1 82188736 GKHUDCLHABDYGC-AEFFLSMTSA-N 379.508 4.173 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(C)(C)O)N1 587824535 CDCQXOSHAQBEIT-BLVKFPJESA-N 378.285 4.137 0 1 GIAF COC(=O)c1ccc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2n1 587934464 AOOZQSFFIHUWCZ-UHFFFAOYSA-N 377.444 4.003 0 1 GIAF CC(=O)Nc1ccsc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587843200 HFHNLMCQKCMKKG-GLEZIHRCSA-N 383.286 4.232 0 1 GIAF COC(=O)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2n1 587152315 ZHWGUGVZLFCDED-GOSISDBHSA-N 395.365 4.191 0 1 GIAF O=C1C[C@H](Cc2nc3ccc(F)cc3[nH]2)c2c(Br)cccc2O1 587004545 WIJGSCOPMVKGPH-VIFPVBQESA-N 375.197 4.100 0 1 GIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(F)cnc(Br)c2[nH]1 587928080 VWNPOFLZDIOICE-SNVBAGLBSA-N 394.244 4.419 0 1 GIAF C[C@]1(c2cc(C(=O)O)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609964 AXRZAWZBXZDYIF-OXJNMPFZSA-N 382.393 4.029 0 1 GIAF Fc1cc(Cl)cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c12 587111114 AJXRPDBXMBRSNF-UHFFFAOYSA-N 396.735 4.076 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(Cl)nc32)N1 587706903 SKYVICNTPTWZIJ-XYZCENFISA-N 381.676 4.361 0 1 GIAF CCOC(=O)[C@H](CC)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592614 BDGVGPGSGHWOED-QUZZAMIASA-N 398.455 4.338 0 1 GIAF COCC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587789486 CIQGTHGQJSSDGO-ORAYPTAESA-N 378.285 4.403 0 1 GIAF CC(C)c1ccc(-c2cc(O)n(-c3c[nH]cc(Br)c3=O)c2O)cc1 587940076 JDJGXGZUDANPCF-UHFFFAOYSA-N 389.249 4.130 0 1 GIAF Cc1c(-c2nc3cc(I)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905305 KDCSVQYZCLPAQM-GFCCVEGCSA-N 394.212 4.106 0 1 GIAF CC(=O)Nc1ccsc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587843193 HFHNLMCQKCMKKG-ANRSDYALSA-N 383.286 4.232 0 1 GIAF O=Cc1cc(Br)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 586982223 IOWBOKGAUWOFMV-UHFFFAOYSA-N 399.017 4.102 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885490 VECTUOXYWILHAI-YJQXOBTOSA-N 375.266 4.491 0 1 GIAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@H](C2CCC(F)(F)CC2)N1 962645061 UFIWWXVSRZIWJU-ZIAGYGMSSA-N 379.325 4.051 0 1 GIAF NC(=O)N1CCc2sccc2[C@@H]1c1c(Cl)ccc(Br)c1F 962703407 CQAIHVVPNGPZPX-CYBMUJFWSA-N 389.677 4.329 0 1 GIAF COc1ccc2c(c1)CCCN2c1nc(N)nc2[nH]c3cccc(Cl)c3c12 1772619607 SYNKOHPOZYVKDI-UHFFFAOYSA-N 379.851 4.440 0 1 GIAF Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCc2ccncc2)cc1 13442551 BGFQKFPVUBNMHL-UHFFFAOYSA-N 379.464 4.336 0 1 GIAF COc1ccc(-c2nnc([C@H](NCc3ccc(F)cc3)c3ccc[nH]3)o2)cc1 169307910 GCONHLYNKFGVHH-LJQANCHMSA-N 378.407 4.092 0 1 GIAF Cc1cc(-c2ccc(-n3c(O)ccc3O)c(C)c2)ccc1-n1c(O)ccc1O 169688355 VAQGRHGZYIOQNN-UHFFFAOYSA-N 376.412 4.374 0 1 GIAF COc1ccc(/C=C/c2cc(=O)cc(/C=C/c3ccc(OC)c(O)c3)o2)cc1O 1655220 BLYXQHHQYFJRHU-FCXRPNKRSA-N 392.407 4.409 0 1 GIAF Cc1ccc(CSC(=S)NCc2nc(O)c3cc(C)sc3n2)cc1 1857632057 AERFJXAZMBLTCV-UHFFFAOYSA-N 375.544 4.322 0 1 GIAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1 773963 FGAOEUNBOXDURT-DLBZAZTESA-N 398.484 4.112 0 1 GIAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccccc1 774015 UFVXXZQCJLYHDG-DNVCBOLYSA-N 394.471 4.154 0 1 GIAF CC1=CCC(C)(C)C=CC[C@]2(C)Oc3cc(O)c(=O)cc(C)c3C[C@H]2C[C@@H]1O 2356379374 REJAHZFROGUZPE-KDLAUNOPSA-N 384.516 4.444 0 1 GIAF O=c1cc(-c2ccccc2Cl)oc2c(CN3CCNCC3)cc(Cl)cc12 103206216 LYXARNREHQMEDA-UHFFFAOYSA-N 389.282 4.172 0 1 GIAF Clc1ccccc1[C@H]1CNCc2cc(OCCCN3CCCCC3)ncc21 28883018 KIFGUYTXOHEXTE-HXUWFJFHSA-N 385.939 4.225 0 1 GIAF CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](c2nc(-c3ccc4c(c3)OCO4)no2)C1 26189378 BWHSSMYFPRCRSE-DLBZAZTESA-N 397.862 4.322 0 1 GIAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C=C1C[C@H]3O 2356479870 HCXLGXVBNGIUAC-MINZZKLUSA-N 390.564 4.398 0 1 GIAF CC(C)C1=C[C@@H]2[C@](C)(OC(=O)C=Cc3ccccc3)C[C@H](O)[C@@H](O)[C@]2(C)CC1 2356539136 DRNUHBXXLRKSBG-PQMPYMPHSA-N 384.516 4.126 0 1 GIAF CC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)CC[C@@H](O)C[C@H](O)C=CC=Cc1ccccc1 2356552198 IKMNWINZTIFDLH-KAQSZFGASA-N 384.516 4.292 0 1 GIAF CC[C@H](C)n1c(=O)n(C)c(=O)c2cn(CC3=Cc4cccc5cccc3c45)cc21 26575579 SWLPMCVNWPSPIY-HNNXBMFYSA-N 385.467 4.180 0 1 GIAF Cc1ccc(/C=C2\CN(C)C[C@H]3C2=NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 33493341 TWQNLQSVHIFNMC-XGXHACIMSA-N 375.541 4.319 0 1 GIAF COc1cc(C(=O)NCc2cc(Cl)ccc2Cl)ccc1-c1cn[nH]c1 213996982 PHRUWSDSXOMMTK-UHFFFAOYSA-N 376.243 4.322 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1ccccc1)[C@@H](C)[C@@H]2NC(=O)c1ccncc1 199724394 PDBCVMXUJOTUCI-QABPDZFRSA-N 388.467 4.352 0 3 GIAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@H]1COc2cnc(Cl)cc21 146549026 MEZVKPXBNGPJJG-NSHDSACASA-N 391.176 4.200 0 1 GIAF CC1=C(c2nc(-c3ccc(F)cc3)cs2)[C@H](c2cccc(O)c2)NC(=O)N1 145389678 LBEDYNJONNYICX-SFHVURJKSA-N 381.432 4.440 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(F)c(F)c1)CC2=O 587466743 NTJDQAXYGAACFS-OAQYLSRUSA-N 389.398 4.376 0 1 GIAF CC(=O)COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587597082 RXRIFICUFJLKAQ-OFNKIYASSA-N 390.391 4.063 0 1 GIAF CCOC(=O)c1ncn(-c2c(-c3ccc(Cl)cc3)[nH]c3cc(F)ccc23)n1 587633089 RESQLEQJKYZICC-UHFFFAOYSA-N 384.798 4.385 0 1 GIAF CC(C)(SCC(=O)O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 586961037 ZTEYFAKTMPAQQM-UHFFFAOYSA-N 397.216 4.397 0 1 GIAF CCn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587576783 KNGGESPNKMYOED-DENIHFKCSA-N 386.407 4.465 0 1 GIAF O=S(=O)(Cc1ccccc1-c1nc2ccnc(Cl)c2[nH]1)c1ccccc1 586922643 YAUVINVXNYOZSN-UHFFFAOYSA-N 383.860 4.252 0 1 GIAF Cn1ncc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c21 587578495 AHNXUOJLOOUYBH-XXBNENTESA-N 386.407 4.156 0 1 GIAF Fc1cc(Cl)cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587119291 VNWYNTHBMCJRSY-UHFFFAOYSA-N 385.708 4.274 0 1 GIAF CSc1ncccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660879 IFQYFVAZOUEIEW-UHFFFAOYSA-N 391.427 4.008 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C(=O)N(c4ccccc4)c4ccccc41)[C@@H](C2)C3=O 587436107 NJMGPLVLYDCMNL-MHECFPHRSA-N 383.403 4.016 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cccc(NC(C)=O)c1 587872468 LLFYHVBCXXKKQE-UHFFFAOYSA-N 398.463 4.291 0 1 GIAF C[C@]1(c2nccnc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327129 FDLANNOPUBYXPT-JXFKEZNVSA-N 384.794 4.249 0 1 GIAF COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587808217 PQXLBFURPNQGNK-MGNBDDOMSA-N 380.257 4.100 0 1 GIAF COC(=O)CCCC[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587386298 XJFZPOURTYYQPZ-JOCHJYFZSA-N 385.435 4.310 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ncc(F)cc12 587571270 PZOQFXBFYZVEGA-YLJYHZDGSA-N 376.343 4.111 0 1 GIAF Cc1ncc2c(n1)CCC[C@]21c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644523 RHFGVOMTVSUGJO-GJZUVCINSA-N 396.538 4.112 0 1 GIAF Oc1ccc2c(c1)[C@@](c1cccc(Br)c1F)(C(F)(F)F)NCC2 963353093 PPECQJDVBUTSHM-HNNXBMFYSA-N 390.174 4.245 0 1 GIAF C=C1C=C(C)n2c([C@@H]3c4ccsc4CCN3Cc3cccnc3)cnc2N1 963002363 ZQSQUQMIBNALLB-FQEVSTJZSA-N 375.501 4.287 0 1 GIAF Cc1ccc2ncccc2c1[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962968321 OHGWEKFBLFKUQJ-HNAYVOBHSA-N 388.801 4.163 0 1 GIAF CC1(C)C[C@@H]([C@@]2(Cc3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)CCO1 962918477 IDDLITFVODMXEV-NSXLHWASSA-N 397.490 4.068 0 1 GIAF C[C@]12CC[C@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O 13298430 GDUPBUZZJUIEDX-HFRKGGPVSA-N 378.512 4.453 0 1 GIAF Cc1sc2ncnc(N)c2c1-c1ccc(NS(=O)(=O)c2ccccc2)cc1 13673581 JVYWUXVYOLSSSK-UHFFFAOYSA-N 396.497 4.050 0 1 GIAF O=C(N[C@@H](CC1CC1)c1nccs1)c1ccc(C2CC2)c(OCC2CC2)n1 207731118 SDQPXNAWWRYEPS-SFHVURJKSA-N 383.517 4.476 0 1 GIAF COc1ccc(NC(=O)C2CCN(c3ncccc3SC)CC2)cc1Cl 1857557595 CZTLKMFTUWCPPK-UHFFFAOYSA-N 391.924 4.321 0 1 GIAF Cc1ccc2cc3cc(C(=O)NC[C@@H]4COc5ccccc5O4)sc3nc2c1 4885978 WTQIAPDGQKLFID-MRXNPFEDSA-N 390.464 4.328 0 1 GIAF CN1[C@H]2CC[C@H]1CC(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100897298 MHCSKANEQAAFNH-SFTDATJTSA-N 384.470 4.433 0 1 GIAF Clc1ccc(C2=NO[C@H](c3c[nH]c4ccccc34)[C@@H]2CN2CCOCC2)cc1 103287882 NGYHFXZUBUOSAF-DENIHFKCSA-N 395.890 4.245 0 1 GIAF Cn1cc(C(=O)Nc2ccccc2)c(OCc2cccc(C(F)(F)F)c2)n1 103277815 UPHKEEDGXAKFST-UHFFFAOYSA-N 375.350 4.270 0 1 GIAF CC(=O)c1ccc([C@@](O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1 26847878 WTUDKRFYZXNLHW-DEOSSOPVSA-N 383.451 4.084 0 1 GIAF N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2cc(OCc3ccccc3)ccc12 113277228 DDBNPBGQDSXOAB-UHFFFAOYSA-N 384.391 4.485 0 1 GIAF CC(=CCCc1ccoc1)CC=C[C@](C)(O)CC[C@H](O)[C@@]1(C)CCC(=O)O1 2356442666 LMCVGYPFPPMZGR-ILWGZMRPSA-N 376.493 4.093 0 1 GIAF CCC(=O)Oc1c2c(c(COC(=O)C(C)C)c3c(C)coc13)[C@@H](C)C[C@@H](O)C2 13300467 CDUOHYMZUNXCQA-GXTWGEPZSA-N 388.460 4.166 0 1 GIAF biogenic CC[C@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 72106687 ZJPHCFVVUDEEFO-IEEVTGIFSA-N 392.499 4.044 0 1 GIAF CCCC(CCC)C(=O)OC[C@]1(CO)C/C(=C/c2ccc(Cl)cc2)C(=O)O1 40393753 BJOJLGQNFHTPBO-DGJFXRHUSA-N 394.895 4.161 0 1 GIAF Cc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1-c1ccccn1 49089840 KBBUUCXOXWJCLQ-UHFFFAOYSA-N 389.224 4.022 0 1 GIAF CCc1ccc(-c2csc(N[C@@H](CC(C)C)C(=O)NCCCOC)n2)cc1 82195315 FZYPKKSGROSMPM-SFHVURJKSA-N 389.565 4.352 0 1 GIAF CCS(=O)(=O)c1ccc2[nH]c(Oc3cccc(OC(F)(F)F)c3)nc2c1 95597035 URKIWJNINNTIPM-UHFFFAOYSA-N 386.351 4.047 0 1 GIAF COc1ccc(N2C=C(c3ccccc3)[C@@H]3C(n4nc(C)cc4C)=NC=N[C@@H]32)cc1 98085506 OMJYBGMVTDULRR-XZOQPEGZSA-N 397.482 4.301 0 1 GIAF Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)CCCC3)sc(C)c2C)n1 147013905 UXRIRVKVSKOUEX-UHFFFAOYSA-N 377.491 4.086 0 1 GIAF O=[S@@]1N=C(NCCCc2ccccc2)C(Nc2cc(Cl)cc(Cl)c2)=N1 253703186 NTNQJSDPNMGSKU-RUZDIDTESA-N 395.315 4.017 0 1 GIAF COc1cc2c(cc1OC(C)C)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C 473127133 UWLLSYNTUNFXOD-KRWDZBQOSA-N 383.488 4.252 0 1 GIAF CCCc1nnc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)o1 587435300 DHGBOAJITTWHHI-IIBYNOLFSA-N 376.412 4.186 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ncc[nH]2)N1 587796044 ZTMRUPPLHUWTKN-BLVKFPJESA-N 386.268 4.137 0 1 GIAF CCOC(=O)C[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525717 RLVNGIKIEMSWFC-DEOSSOPVSA-N 378.468 4.465 0 1 GIAF O=c1ccc2cc(-c3nc4c(F)c(F)c(Br)cc4[nH]3)ccc2o1 586918957 VTFQMWDQWWGCGY-UHFFFAOYSA-N 377.144 4.377 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)nc1Cl 587551596 HJSKORVBXVFRSD-XJKSGUPXSA-N 389.194 4.192 0 1 GIAF COc1cc(F)c(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559849 ZSFXGPOCSXLDMI-NQIIRXRSSA-N 384.334 4.382 0 1 GIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)cn1 587501017 ZNNNMOCJMCSQCW-KRWDZBQOSA-N 388.261 4.438 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Cl)c(CO)n1 587861475 QWPQAXLDMGISNI-UHFFFAOYSA-N 383.757 4.107 0 1 GIAF Cc1cc(-n2c(O)cc(-c3ccc(F)cc3)c2O)nn1Cc1ccccc1F 587944702 HATRQYGIDIWIQB-UHFFFAOYSA-N 381.382 4.387 0 1 GIAF CC(=O)C[C@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587726289 HXPFXEQVSYUMHV-NSPYISDASA-N 394.259 4.484 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 586915520 FEJZHDPRVCEQNA-BBATYDOGSA-N 376.243 4.481 0 1 GIAF CCC[C@]1([C@@H](C)C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587795290 IJPMUWHRHACFGF-FTLABTOESA-N 386.305 4.317 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccc(Cl)c(Cl)c3)nn1)O2 587377858 ZPZOYECXTHOFGO-QGZVFWFLSA-N 389.242 4.171 0 1 GIAF Cc1ccc(-c2cc(-c3nc4c[nH]c(=N)[nH]c-4n3)c3cccc(Cl)c3n2)o1 587083429 TWIUUQNHTUISTE-UHFFFAOYSA-N 376.807 4.154 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(O)ccc2Oc2cccc(O)c21 587409196 QLYQEBQLDMJVBW-JOCHJYFZSA-N 375.380 4.003 0 1 GIAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Br)c(C)c(C)c2[nH]1 586923060 XFMMRXNLDDEXBQ-UHFFFAOYSA-N 393.306 4.403 0 1 GIAF C[C@@H]1CCc2c(sc3nc(SCc4ccc(Cl)cc4)n(N)c(=O)c23)C1 958059181 ZRASXQTZFBBGOQ-SNVBAGLBSA-N 391.949 4.242 0 1 GIAF COc1cccc(CC[C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962673012 UYLXDUOEIDYVMI-XUZZJYLKSA-N 390.483 4.016 0 1 GIAF Cc1ccc([C@]2(c3ccc(O)cc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963021441 GBQULBRAWJOHRM-SSOJOUAXSA-N 384.479 4.046 0 1 GIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](C2(CN3CCOCC3)CCCCC2)N1 962953855 WLXJSHNZELMQIT-MBSDFSHPSA-N 381.564 4.416 0 1 GIAF CCN(CC)C(=O)/C=C(\C)c1ccc(CCc2ccccc2)c(OCC(=O)O)c1 13782716 ORGRXDMXYXUCAJ-OBGWFSINSA-N 395.499 4.207 0 1 GIAF CCCCC[C@H]1CN(CCCC)C(=O)[C@@H]1CC(=O)NCc1ccc(OC)cc1 15937363 KYTCNUFBNBHQDS-PZJWPPBQSA-N 388.552 4.157 0 3 GIAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)cccc21 169704939 FPFQYWQWBIOHBB-NVXWUHKLSA-N 379.435 4.135 0 1 GIAF O=C(OC/C=C/c1ccccc1)C1=CN=C[C@@H](C(=O)O)[C@@H]1c1cccc(Cl)c1 169727730 AETTUACTWPQAGI-GYAHQXATSA-N 395.842 4.349 0 1 GIAF O=C(c1cc(F)ccc1F)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 201474272 FDXJXFXCSFPKQE-NSHDSACASA-N 375.400 4.096 0 3 GIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(\O)OCC)[C@H]1c1ccc(Br)o1 623263 RTTCPVGYQYMILG-NWCRWOLESA-N 398.253 4.243 0 1 GIAF COc1ccccc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc(Br)cc12 2468508 HCBWVYGKMXDQQT-UGSOOPFHSA-N 389.249 4.227 0 1 GIAF CCC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(OC)c3)n2)cc1 11436281 QWLRDRKBPXFEEC-UHFFFAOYSA-N 381.457 4.420 0 1 GIAF CCc1nnc(NC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)s1 12621244 SHQYYROWIGPPIO-IUOZQUQDSA-N 384.343 4.163 0 1 GIAF COc1ccc(CCCCNCCOc2cc(OC)cc3c2OCCC3)cc1 13761779 USBMLMLDKIBGBI-UHFFFAOYSA-N 385.504 4.020 0 1 GIAF Cc1ccc2c(c1)-c1nc(NCC3CCN(C(=O)C(C)C)CC3)sc1CCO2 26501433 WGLNVHKYHOJDNU-UHFFFAOYSA-N 399.560 4.360 0 1 GIAF COc1ccccc1CNC(=O)C1CCN(Cc2cccc3ccccc23)CC1 38848842 HVGOGYLOCVCVLI-UHFFFAOYSA-N 388.511 4.377 0 1 GIAF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1cc(Cl)ccc1Cl 40420382 VWECVJIPNMXTFN-UHFFFAOYSA-N 395.267 4.003 0 1 GIAF Cc1cc(NC(=O)NCc2cccs2)ccc1N1CC[C@H](N2CCC[C@@H]2C)C1 43204925 CCDWSMJPLNHEDZ-HKUYNNGSSA-N 398.576 4.441 0 1 GIAF O=c1c2ccccc2cc2n1Cc1c-2nc2ccc(Cl)cc2c1Cn1ccnc1 58563774 HFVRUAUFUVXEOC-UHFFFAOYSA-N 398.853 4.477 0 1 GIAF CCOc1ccc(-c2nc(CNCCc3cc(OC)ccc3OC)co2)cc1 72142614 VRTIPYWCUUQRKG-UHFFFAOYSA-N 382.460 4.090 0 1 GIAF COc1cc2nc(N3CCSCC3)nc(NCCC(C)(C)C)c2cc1OC 82128907 AALWDTVWUUWFJM-UHFFFAOYSA-N 390.553 4.048 0 1 GIAF CC(C)(C)c1ccc(-c2cn(CC(=O)NC34CC5CC(CC(C5)C3)C4)nn2)cc1 169310923 RIHJYKAPQSGNER-UHFFFAOYSA-N 392.547 4.328 0 1 GIAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(O)c(-c2cncnc2)c1 205918704 PSIFNJOTGZGZBB-UHFFFAOYSA-N 375.306 4.000 0 1 GIAF CCc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 586939514 VKARMGLLGMYARS-SFHVURJKSA-N 391.924 4.454 0 1 GIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(O)ccc4[nH]3)cc2)c1C 586946975 GXJZKEDNGQHSGN-UHFFFAOYSA-N 393.468 4.353 0 1 GIAF FC(Br)(Br)c1nc2ccc(Br)cc2[nH]1 587087203 BXAVLXCRLGQWFU-UHFFFAOYSA-N 386.844 4.195 0 1 GIAF COC(=O)c1cc2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc2cc1OC 587091697 NMELRVLYBPCXBA-UHFFFAOYSA-N 397.378 4.075 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(-c3cc(F)c(OC)c(F)c3)nc2c1 587134843 OPVFRAIDWRQOFM-UHFFFAOYSA-N 397.175 4.066 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cncc(OC)c4[nH]3)c(F)c2)c1 587147371 OMMKKGRAJVQPCD-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Br)ncc2[nH]1)C(C)(C)C 587206679 XSRKEEQIHBZRQM-LBPRGKRZSA-N 397.317 4.202 0 1 GIAF Cc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587353455 ZKOAYCGLIXDSGL-REWPJTCUSA-N 389.382 4.046 0 1 GIAF Oc1nc(O)c2ccc(-c3cccc(OCc4c(F)cccc4Cl)c3)nc2n1 587367990 FHJFZKBINXORSC-UHFFFAOYSA-N 397.793 4.475 0 1 GIAF CCOC(=O)[C@H](CC)[C@@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587398733 HIEUFKOBUOEIBI-MBSDFSHPSA-N 397.471 4.036 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCOc4c(Cl)ccc(Cl)c41)[C@@H](C2)C3=O 587421432 MKRNVUVCZHCFDK-JEOXALJRSA-N 377.223 4.427 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)O)[nH]c3ccc(F)cc13)CC2=O 587472643 SRLZCDRFVGEOAW-QGZVFWFLSA-N 383.375 4.370 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccncc1Br 587540032 GUZMDPXZINRTMG-APWZRJJASA-N 398.212 4.253 0 1 GIAF Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651352 HVUFBQOWHDEETI-GFCCVEGCSA-N 391.254 4.428 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(N)cc(F)cc2F)N1 587721652 PXSKTPHYMTUWDX-CQLKUDPESA-N 385.227 4.246 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(O)c(F)c2)N1 587721756 QNTXPIXVSOXOQJ-QPFGOUBPSA-N 386.211 4.370 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3c(F)cccc32)N1 587738814 QVCHTMCKVJVAGY-XTZNXHDOSA-N 379.248 4.321 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CN(C)C(=O)OC(C)(C)C)N1 587742489 RTEIQFIUBWCFNG-MFKMUULPSA-N 387.293 4.030 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3C2CC2)N1 587772073 UZQDWPVDCHITHJ-WRXJKDNKSA-N 379.317 4.107 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1OC[C@@H]2C 587836375 TYRZJSOMOHUMKC-CRTZDJKQSA-N 376.269 4.395 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1ccc2c(c1)OCO2 587870224 CCBJYQURFUFMRF-UHFFFAOYSA-N 382.391 4.090 0 1 GIAF COC(=O)c1ccccc1-c1ccccc1[C@H]1NCCc2c(C(=O)O)cccc21 963118290 BJOVULOXAQWDSM-JOCHJYFZSA-N 387.435 4.074 0 1 GIAF Cc1n[nH]c(=Nc2ccc(-c3ccc([C@H]4CC[C@H](CC(=O)O)CC4)cc3)nc2)o1 1857541268 XBESUWXKHAMBQU-WKILWMFISA-N 392.459 4.354 0 1 GIAF COc1cc(-c2nc(-c3cc(C(C)C)c4c(C)nn(C)c4n3)no2)cc(Cl)n1 1857645264 PYBOEGZYHNYMBQ-UHFFFAOYSA-N 398.854 4.174 0 1 GIAF CC(=O)OCC(=CC(=O)O)CC[C@@]1(C)[C@@H]2CCC=C(CO)[C@@]2(C)CC[C@H]1C 2356611256 QLAXVEYAEFYWTR-GZIQRIHMSA-N 378.509 4.112 0 1 GIAF C[C@]1(C(=O)NCc2cccc(Cl)c2)Cc2c(-c3ccccc3)ccnc2O1 61907651 PLZSFVMYLSZYLS-JOCHJYFZSA-N 378.859 4.412 0 3 GIAF Cc1ccnc(NC(NC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)c1 1649994 HDPMRONJQVLTJD-UHFFFAOYSA-N 377.288 4.053 0 1 GIAF COc1cc2c(c(O)c1OC)C[C@H]1CCC(=O)N1[C@H]2c1cccc2ccccc12 1654660 VJAJEAOAEAKPMX-QRQCRPRQSA-N 389.451 4.199 0 1 GIAF O=[S@@](Cc1cc(Oc2ccc(F)cc2F)ccn1)c1nc2cscc2[nH]1 13448783 OSLPBOVMXCOIPI-AREMUKBSSA-N 391.424 4.398 0 1 GIAF NC(=O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1 13609261 XAXCIEFIRJHDIW-DHZHZOJOSA-N 375.211 4.199 0 1 GIAF O=c1ccoc2cc(OCCCN3CCc4[nH]c5ccc(F)cc5c4C3)ccc12 26570989 PHZUQZCXVNZIPC-UHFFFAOYSA-N 392.430 4.241 0 1 GIAF COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1OC 38446938 LAJVUASLPHMQCC-UHFFFAOYSA-N 392.242 4.401 0 1 GIAF CO[P@@](C)(=O)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 40891609 LQMKPARCMBEMRC-RUZDIDTESA-N 386.413 4.429 0 1 GIAF C[C@H](C(=O)OC[C@@H](C)O[N+](=O)[O-])c1ccc2c(c1)[nH]c1ccc(Cl)cc12 40974710 IIOBHBNTLZNXBM-MNOVXSKESA-N 376.796 4.218 0 1 GIAF Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccccn4)c(Cl)c3)c21 64437175 CBJXKKXSVUMOST-UHFFFAOYSA-N 394.822 4.453 0 1 GIAF CC(C)c1nc2c(NCc3ccccc3)ncnc2n1CC[C@@H]1CCCN1C 82178637 RRYJEVOBMSHEJS-SFHVURJKSA-N 378.524 4.046 0 1 GIAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)[C@H]1C[C@@H]2CC[C@@H]1C2 101706394 PCUQHNTZXLPGNX-YMYKFTITSA-N 381.564 4.433 0 1 GIAF CCOc1cc2nnnc(Nc3ccc(F)c(C(F)(F)F)c3)c2cc1OC 103295875 JRUNRIUXHXTBGN-UHFFFAOYSA-N 382.317 4.334 0 1 GIAF CCOc1cc([C@@H]2C=C(c3cccc(C)c3)Nc3nnnn32)ccc1OC(F)F 103621960 ZTIHSSXVLMIMCL-INIZCTEOSA-N 399.401 4.038 0 1 GIAF COC(=O)[C@]1(Cc2ccccc2C(F)(F)F)CC(=O)O[C@H]1c1ccccc1 142736804 XGYWCRQSLCHFAX-PKOBYXMFSA-N 378.346 4.096 0 1 GIAF CC(C)(C)c1cc(I)c2c(c1)CN[C@@]1(O2)C2C[C@@H]3C1[C@H]3C2 169332028 PWTLQRKEHUPYSI-XGZBKBLZSA-N 395.284 4.053 0 1 GIAF CCN1CCN(C(=O)c2cn(CC3CCCCCC3)c3c(OC)cccc23)CC1 205005926 LXRFHCDHTIPUIB-UHFFFAOYSA-N 397.563 4.398 0 1 GIAF Cc1ccc([C@H](C)[C@H](O)c2nc3cccc(I)c3[nH]2)cc1 586893956 WNWSHRPLRIMXOT-ZBEGNZNMSA-N 392.240 4.313 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587235390 KUHOTOBNLFRCHC-GHMZBOCLSA-N 395.406 4.435 0 1 GIAF Cc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344352 BZAPAZBQJUEHRZ-REWPJTCUSA-N 389.382 4.046 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)c(C)cc1Br)[C@@H](C2)C3=O 587422216 CCWCXSKPIIJFGC-SGTLLEGYSA-N 377.209 4.394 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CCCC[C@@H]1C(=O)O)[C@@H](C2)C3=O 587451865 RSUIHOXWCMOIAK-UAKAABGRSA-N 392.451 4.229 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1cnccn1)CC2=O 587466124 IUEKIBPOHBPNIF-JOCHJYFZSA-N 378.403 4.183 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(C[C@H](C)NC(=O)OC(C)(C)C)CC2=O 587471389 RPLVOLHSFVZLSZ-ZSEKCTLFSA-N 377.481 4.372 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cn3cncn3)c(C)cc1C)CC2=O 587473926 ANQFOLRLDDNJMC-JOCHJYFZSA-N 391.471 4.308 0 1 GIAF C[C@@]1([C@@H]2CN(Cc3ccccc3)CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587515593 VMWHUBCNGJGMGZ-ZCYQVOJMSA-N 391.511 4.190 0 1 GIAF COc1cc(C)ccc1OCc1nc2cccc(I)c2[nH]1 587564508 UQTIDUXNSIMZMN-UHFFFAOYSA-N 394.212 4.064 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@H]1CCO[C@H]1C21CCCC1 587606134 BMTCJXVUKVLRIP-DYOKRDNJSA-N 378.424 4.072 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccccc2c1=O 587612915 WMTIMAYJCSPXQH-WMZHIEFXSA-N 386.359 4.202 0 1 GIAF CSc1ccc(C(=O)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587613864 PMGWBAXTFWZSFA-XMSQKQJNSA-N 392.432 4.327 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1nccs1 587620403 YZXILDUWZSDUEH-XLIONFOSSA-N 390.420 4.342 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(c3ccc(F)cc3)C2)N1 587728192 FDUUHDCJBWAAMZ-CWTRNNRKSA-N 393.275 4.367 0 1 GIAF COC(=O)c1cc(F)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587736175 ZDWLTUBWRHCLJK-XLFHBGCDSA-N 396.231 4.138 0 1 GIAF CC(C)n1ccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587763610 KNDNHTKPAJZGLC-SGTLLEGYSA-N 380.305 4.358 0 1 GIAF CCn1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C2CC2)n1 587764139 OKIABGBHAGPEPY-YPMLDQLKSA-N 378.289 4.306 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587845683 FKWYQPHKHQGODA-VXJOIVPMSA-N 384.270 4.060 0 1 GIAF CN(c1ccc(-c2csc(-c3c[nH]c4ccccc34)n2)cc1)S(C)(=O)=O 587923713 HBABYGXBUQRENW-UHFFFAOYSA-N 383.498 4.354 0 1 GIAF CCCCN1C(=O)[C@@H]([C@@]2(C)NCCc3c2sc(C)c3C)C(=O)c2ccccc21 963007270 HTQDYLULHXSRTE-WMZHIEFXSA-N 396.556 4.372 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc(Br)cc1F 963607705 KCNOVZVRIQSDOI-MGNBDDOMSA-N 380.257 4.229 0 1 GIAF Cc1cc(N2CC[C@@]3(CCN([C@H](C)c4ccc5c(c4)OCCO5)C3)C2)cc(C)n1 1857604784 NYDMOOQKCUYFHM-NTKDMRAZSA-N 393.531 4.133 0 1 GIAF COC(=O)[C@@H]1CC[C@H]2[C@]3(CC[C@H]4C(C)(C)CCC[C@]42C)[C@H](OC(C)=O)OC[C@H]13 2356478161 VAPHQACZBDNZOJ-ODJFMRKSSA-N 392.536 4.334 0 1 GIAF O=c1c2ccccc2nc(COc2ccccc2)n1N/C=C1\C=Nc2ccccc21 13119364 XFGHARJESCVHRV-BMRADRMJSA-N 394.434 4.276 0 3 GIAF Cc1ccc(SC[C@H](CF)O[C@@H](C)n2cnc3c(Cl)nc(N)nc32)cc1 1855772 ISLNYJOKMLBOQG-RYUDHWBXSA-N 395.891 4.036 0 1 GIAF COC[C@@H]1C(=O)O[C@H]2CC(C)=CCC=C(C(=O)OC)CCC=C(C)CC[C@@H]21 2356448370 BNSYBIBYECIBTQ-AABGKKOBSA-N 376.493 4.137 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3977877 RUDATBOHQWOJDD-TZVHOLPSSA-N 392.580 4.478 0 1 GIAF CN(C)c1ccc(-c2cn(CCCCCn3cccc(O)c3=S)nn2)cc1 103255713 CMJDUBQSUILDAG-UHFFFAOYSA-N 383.521 4.118 0 1 GIAF CCC(CC)C(=O)O[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 27557904 YFKUYVLKRNYGNL-HXUWFJFHSA-N 384.863 4.435 0 1 GIAF COc1ccc(OC)c([C@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)c1 61929703 ZTIPOUSWKIEXKU-KRWDZBQOSA-N 378.350 4.194 0 3 GIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CC[C@]3(COC(=O)C3)O2)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356663788 VMSPIYCFMMEMSY-ZUHHSMQQSA-N 378.509 4.025 0 1 GIAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCCN3CCCCC3)cc(O)c12 40974029 XPCDXJIREBBBGC-UHFFFAOYSA-N 395.455 4.126 0 1 GIAF COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)c(Cl)c3)c2cc1OC 40934283 PMMDDAIXFNVMJN-UHFFFAOYSA-N 392.242 4.401 0 1 GIAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cccc(F)c1 299845505 CFBQODKVKOEVIB-UTKZUKDTSA-N 381.495 4.449 0 1 GIAF O=c1cc(CO)oc([C@H]2C=C(c3ccc(Cl)cc3)Oc3ccccc32)c1O 299862846 KCOVBEFOQKYDCM-INIZCTEOSA-N 382.799 4.057 0 1 GIAF O=C1C[C@H](c2cc(O)c(Br)cc2O)Oc2c1ccc1c2CCCC1 587496950 AZNDYLUWFDYHKQ-GOSISDBHSA-N 389.245 4.446 0 1 GIAF CN(C)CCOc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587084614 DNFPPWPPFWCHBK-UHFFFAOYSA-N 393.878 4.281 0 1 GIAF FC(F)(F)c1cc2nc(-c3ccnc(Cl)c3Br)[nH]c2cn1 586979200 JNPHBHVPQPSKDQ-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF O=C(Cc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)OCc1ccccc1 587782667 WMGLSBKNDOGZII-UHFFFAOYSA-N 384.741 4.401 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C(=O)OCC)c1ccccc1)CC2=O 587483563 RBWPHMPRQKVAPS-NZQKXSOJSA-N 382.456 4.416 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc(O)cc32)N1 587834686 STNFVHINPBWMKR-WLRWDXFRSA-N 376.269 4.408 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccc(O)c3[nH]2)c1 587051389 WRCBITNWZPHJEN-MDZDMXLPSA-N 398.850 4.312 0 1 GIAF Cc1cc(C(=O)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587559639 YIYLALHDWXFVDH-XMSQKQJNSA-N 378.355 4.053 0 1 GIAF CCOc1cc(/C=C/c2nc3ccc([C@@H](N)N=O)cc3[nH]2)ccc1OC(F)F 587130104 KCQXMRXTPRYCRT-PYJQOMOHSA-N 388.374 4.457 0 1 GIAF Clc1ccccc1NCc1nc2cccc(I)c2[nH]1 587062467 SUJKQHGTTAWYGE-UHFFFAOYSA-N 383.620 4.433 0 1 GIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(C)cnc4[nH]3)c2)cc1 586931534 XIAHYQWBPFVGLF-UHFFFAOYSA-N 392.484 4.067 0 1 GIAF CNc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1N 587745868 XBUKZGFXLZFAGE-MLCYQJTMSA-N 378.289 4.010 0 1 GIAF COc1cc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2cc1C 586918924 TXHPDKSTGJZWBH-UHFFFAOYSA-N 392.455 4.397 0 1 GIAF FC(F)(F)c1cc(-c2nc3cncc(Cl)c3[nH]2)c(Br)cn1 587115302 RYVQQIQFTJKYND-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(C)cc3OC)nc2c1 587924708 BWARVMCASPAYLS-UHFFFAOYSA-N 389.249 4.486 0 1 GIAF CCOC(=O)C(=O)c1c(-c2ccccc2Br)[nH]c2cccc(F)c12 587632211 GBFXVDSOLKASGF-UHFFFAOYSA-N 390.208 4.482 0 1 GIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(Br)ccc2[nH]1 587040102 ZVSDREXEBHSFED-UHFFFAOYSA-N 396.270 4.191 0 1 GIAF CC(C)(C)OC(=O)N(Cc1nc2ccc3ncccc3c2[nH]1)C[C@@H]1CCCO1 587197161 KKRPQCSJHGTQEK-AWEZNQCLSA-N 382.464 4.027 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccco2)N1 587741646 OFCWBIRVFVOCIW-QHHHIJCISA-N 379.273 4.034 0 1 GIAF COc1ccc(Cl)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587693802 FOAMEFSYMXPEQA-PWJLMRLQSA-N 385.664 4.269 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c[nH]2)N1 587685583 RPHNIMNWURCWDA-WJWGPLDTSA-N 388.078 4.302 0 1 GIAF FC(F)(F)c1nn(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c2c1CCCC2 587119587 FKASVBNRNUUFPU-UHFFFAOYSA-N 390.196 4.407 0 1 GIAF Fc1ccc(/C=C\c2nc3cc(I)cnc3[nH]2)c(F)c1 587150717 TXFKSDJUQUBGDJ-RQOWECAXSA-N 383.139 4.011 0 1 GIAF CCC[C@@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351979 VSVKPVQZOBZPAG-UNMCSNQZSA-N 386.419 4.382 0 1 GIAF Cc1cc(Br)cc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c12 587033897 CFHGMHISEPPVNA-UHFFFAOYSA-N 390.306 4.114 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CCC[C@H](C1)N3C(=O)OC(C)(C)C)O2 587397525 BPMMZRRXEPXOID-SZLXDWMPSA-N 386.492 4.233 0 1 GIAF N[C@@H](c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1)C1CC1 587255512 ITVKVUBSNMHGJG-OAHLLOKOSA-N 392.356 4.383 0 1 GIAF COC(=O)c1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587721477 VYHIXHWRVFENCG-XLFHBGCDSA-N 396.231 4.138 0 1 GIAF C[C@@]1(c2cccc(F)c2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962923109 MFDLFWODYQJZKP-GMAHTHKFSA-N 393.414 4.186 0 1 GIAF Cc1cccc(/C=C/[C@@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2)c1 1857549310 JGARFMVZWNPCBX-IENJSVCTSA-N 380.469 4.008 0 1 GIAF C[C@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=S)Nc1ccc(F)cc1 1857550689 YYXAXADDKHQTMN-AWEZNQCLSA-N 397.475 4.115 0 1 GIAF C[C@H]1C[C@@H](C)CN(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1 766810 AUVZNTLBDVGMMH-IYBDPMFKSA-N 394.544 4.234 0 1 GIAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773461 IFIXQTMOIFWLKH-KSSFIOAISA-N 382.435 4.285 0 1 GIAF NCCCC[C@H](N)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1Cl 1655286 YLAKDSCWFRPBRU-AWEZNQCLSA-N 388.924 4.012 0 1 GIAF COc1cccc(C[C@]2(CO)CCCN(Cc3ccc4ccccc4n3)C2)c1 11668178 PUFXIWHKZCRJRG-XMMPIXPASA-N 376.500 4.061 0 1 GIAF O=C(O)c1ccccc1C(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 13179383 TZJSEHIKFXTBRT-UHFFFAOYSA-N 376.368 4.136 0 1 GIAF CC(=O)OC/C(=C/C(=O)O)CC[C@@H]1[C@@H](C(=O)O)C=C[C@@H]2C(C)(C)CCC[C@@]12C 14499641 FPDJDCMZKOAFLL-QESBKYHYSA-N 392.492 4.060 0 1 GIAF C[C@H]1CC[C@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CN1 40846459 QALGDBRHRSNPSF-RYUDHWBXSA-N 394.566 4.048 0 1 GIAF O=C(O)[C@@H]1C=C[C@@H]2C[C@H]3[C@H](CCCc4ccc5c(c4)OCO5)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 72181117 SSXKICOQNGDABW-UILCEBSMSA-N 378.468 4.309 0 1 GIAF CCCCS(=O)(=O)N(Cc1ccc2c(n1)C=CC(C)(C)O2)c1ccccc1 82158437 BKGUBNPVGXFPMV-UHFFFAOYSA-N 386.517 4.402 0 1 GIAF COc1ccc(OC)c(CCNc2cc(-c3cccc(C(C)=O)c3)ncn2)c1 82161449 XCKJBWNZTOGNDE-UHFFFAOYSA-N 377.444 4.018 0 1 GIAF CC[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccccc2c(=O)n1-c1ccccc1 88345687 ZMZRPIQWTSAHJN-SFHVURJKSA-N 396.454 4.220 0 1 GIAF O=C(C1CCCC1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@H]21 95866641 JMESCZKWBUYOGY-PMOQBDJRSA-N 394.490 4.359 0 1 GIAF NC1(c2ccc(-c3nnc4n3-c3cnccc3Nc3ccccc3-4)cc2)CCC1 96174155 DUIRMLZULOYAAI-UHFFFAOYSA-N 380.455 4.391 0 1 GIAF Cn1c(-c2cc(=O)c3ccccc3o2)cc(Br)c1Br 96909559 MAHTUIAPTCLIIS-UHFFFAOYSA-N 383.039 4.324 0 1 GIAF CCOc1cc([C@H]2C=C(c3cccc(C)c3)Nc3nnnn32)ccc1OC(F)F 103621963 ZTIHSSXVLMIMCL-MRXNPFEDSA-N 399.401 4.038 0 1 GIAF CN1C(=O)COC[C@]2(C)[C@H]3CC[C@]4(C)C(c5cccnc5)=CC[C@H]4[C@@H]3CC[C@@H]12 169226592 LKPHZBRWXYCUCB-KOOWZWOLSA-N 380.532 4.175 0 1 GIAF O=C(c1cc(-n2ccc3ccccc32)c(O)cc1O)N1CCc2ccccc2C1 169343521 BNQBIHIACMCSBI-UHFFFAOYSA-N 384.435 4.240 0 1 GIAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 261152122 PCUQHNTZXLPGNX-PAPPXSOASA-N 381.564 4.433 0 1 GIAF COC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CC(=O)O[C@@]1(C)c1ccccc1 299831091 IVBPCTDJOHHDRE-PMACEKPBSA-N 392.373 4.270 0 1 GIAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2ccc(Cl)cc2[nH]1 586945155 ADCSWFIRLYJOKX-UHFFFAOYSA-N 393.877 4.016 0 1 GIAF COc1cc(Br)c([C@H](N)c2nc3ccc(C)c(C)c3[nH]2)cc1OC 586977086 XUIARMOOPVGZDF-INIZCTEOSA-N 390.281 4.008 0 1 GIAF Nc1ccc(-c2ccc3nc(-c4csc([C@H]5CCCO5)n4)[nH]c3c2)cc1N 587017254 UIZGEUVWQSQQSD-GOSISDBHSA-N 377.473 4.369 0 1 GIAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cs1 587018814 AVJCPTVXEJZBCJ-UHFFFAOYSA-N 399.398 4.371 0 1 GIAF Sc1nc(S)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2n1 587065268 WZHUPZJSWSAHJH-UHFFFAOYSA-N 390.877 4.423 0 1 GIAF Nc1cc(F)c(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)cc1N 587136639 UDCZQUALIUGHEY-UHFFFAOYSA-N 389.150 4.315 0 1 GIAF Cc1cccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c12 587155493 ZMFVYVKPNZDZLL-UHFFFAOYSA-N 381.432 4.478 0 1 GIAF CS(=O)(=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587164209 XYRKLYXOFYBEKN-UHFFFAOYSA-N 394.427 4.004 0 1 GIAF CC(C)Oc1ccc2nc(-c3cncc(I)c3)[nH]c2c1 587184286 HXGQXHYYMZWHTP-UHFFFAOYSA-N 379.201 4.017 0 1 GIAF CC1(C)Cc2nc[nH]c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587344400 GSAATVIYPFZYFR-XXBNENTESA-N 392.430 4.481 0 1 GIAF COc1cc2c3c(c1)O[C@](c1cccnc1)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O 587437496 GBXBFUZITICLEV-UUOWRZLLSA-N 382.419 4.263 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)([C@H](C)CN(C)C)CC2=O 587467064 BZRSAOVCFZNGMY-GYCJOSAFSA-N 397.515 4.412 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c[nH]c(C(=O)O)c1)CC2=O 587487955 ZJBXBUDDGWKOFW-HSZRJFAPSA-N 391.423 4.280 0 1 GIAF CC(C)(C)OC(=O)NC(C)(C)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571537 LRDJSQMIZAURPJ-LPHOPBHVSA-N 399.443 4.026 0 1 GIAF CCCOc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586756 JPMPIHFPFGAHFR-GHTZIAJQSA-N 377.396 4.279 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587599126 VRWALFUGNLBBFJ-FGXHJERBSA-N 396.439 4.092 0 1 GIAF CC(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587746456 ZQQRQVMFGOZOOT-WYRIXSBYSA-N 391.284 4.344 0 1 GIAF CCN[C@H](C)[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587753171 GLTGOABTNOHWPU-MNVSYLFESA-N 391.328 4.364 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C[C@H]1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587796412 KEIHBPGYQYGGPY-VQTVZGMASA-N 398.316 4.317 0 1 GIAF COc1nc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587852628 MJVYRVFQFZFDNT-KBUNVGBDSA-N 391.693 4.330 0 1 GIAF CCCCc1ccc(NC(=O)CSc2nc(-c3ccc(O)cc3)n[nH]2)cc1 653816954 DEVFRRFLMXKTAW-UHFFFAOYSA-N 382.489 4.251 0 1 GIAF COc1cccc([C@@]2(c3cccc(C)c3C)NCCc3c2c(C(C)C)nn3C)n1 962915884 VTWWEAVJBBIQSN-XMMPIXPASA-N 390.531 4.002 0 1 GIAF CN1C(=O)[C@@]2(c3ccc(F)cc3C[C@@H]3CCCN32)c2cc(Cl)cc(Cl)c21 963114694 WFHSKPSCFBMYBX-VBKZILBWSA-N 391.273 4.373 0 1 GIAF CCC[C@H](CC(=O)O)C1=CC(C)(C)Oc2cc(O)c3c(c21)O[C@H](C)[C@@H](C)C3=O 2356440119 OJXMBTKCCGQFQW-JHJVBQTASA-N 388.460 4.437 0 1 GIAF CC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(Cl)ccc1c2=O 61921302 ARKVXVBQLYDPAU-KRWDZBQOSA-N 389.842 4.387 0 3 GIAF C[C@H](CCC(=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 253986339 DGABKXLVXPYZII-CLVCILRJSA-N 392.580 4.478 0 3 GIAF Clc1cccc(-n2ncnc2Nc2ccccc2N2CCOCC2)c1Cl 29126456 OKCAONOFWVEBKA-UHFFFAOYSA-N 390.274 4.154 0 1 GIAF O=C1Nc2ccccc2[C@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1 101150331 RISHXOUPXKJKGQ-HXUWFJFHSA-N 383.923 4.368 0 1 GIAF CC(C)C[C@H]1CN(C(=O)c2csc(-c3ccccc3)n2)[C@@H](CC(C)C)C(=O)N1 103267105 QPZDVZYZPNQNKP-HKUYNNGSSA-N 399.560 4.212 0 1 GIAF O=C(Nc1ccccc1)c1cc([C@@H]2CCCCN2C(=O)c2cccs2)on1 61904158 ISWYWWNZEFLEHK-INIZCTEOSA-N 381.457 4.356 0 3 GIAF Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1[C@H]2CCCC[C@]32CCN1CC1CCC1 29555967 TWEQNWYNTADICN-QOEFQVSFSA-N 381.545 4.377 0 1 GIAF O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1CCCO 26671864 XNJYCAFGCFALEG-UHFFFAOYSA-N 397.780 4.498 0 1 GIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CC[C@]3(COC(=O)C3)O2)[C@]2(C)CCCC(C)(C)[C@@H]12 2356663786 VMSPIYCFMMEMSY-WEWRPIBPSA-N 378.509 4.025 0 1 GIAF CC(=CCC[C@]1(C)C=Cc2c(O)cc(C)c(C=O)c2O1)CC[C@H](O)C(C)(C)O 2356789010 CUBOHSIABUSNJM-NZQKXSOJSA-N 388.504 4.316 0 1 GIAF C[C@]12CC[C@@H]3c4ccc(C(F)(F)S(=O)(=O)O)cc4CC[C@H]3[C@@H]1CCC2=O 29329923 IKLVUTOSCNVJLV-CBZIJGRNSA-N 384.444 4.049 0 1 GIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@H]2CC[C@H](OC(C)=O)[C@H](C)[C@@]12C 35967817 PZAGHSIXBWZOQH-BUICHXKWSA-N 390.476 4.170 0 1 GIAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccccc1 38308455 VUJRTRFALCAJAK-QGZVFWFLSA-N 395.937 4.263 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)CC[C@H](O)[C@@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1 36374574 BYIDNKQJXAGYPI-DCQCMUNHSA-N 386.532 4.206 0 1 GIAF CC1(C)c2ccc(O)cc2O[C@@H](c2ccc(O)cc2O)[C@@H]1c1cc(O)cc(O)c1 210525584 VHDAXQOBUDDCHU-VXKWHMMOSA-N 394.423 4.410 0 1 GIAF COC(=O)C[C@H](c1cccnc1)[C@@H](C(=O)N(C(C)C)C(C)C)c1ccccc1 34986387 DRWJYPNKGJSIRQ-IRLDBZIGSA-N 382.504 4.158 0 1 GIAF CCCCC[C@@H](CC(=O)CCc1ccc(OC(C)=O)c(OC)c1)OC(C)=O 196452312 PBYHUELMIHUJFS-IBGZPJMESA-N 378.465 4.024 0 1 GIAF Nc1cnc(-c2ccc(-c3ccccc3Sc3nccc(N)n3)cc2F)cn1 224790879 XLCYGJDPUZSTJT-UHFFFAOYSA-N 390.447 4.055 0 1 GIAF COC(=O)[C@@]1(Cc2ccccc2C(F)(F)F)CC(=O)O[C@H]1c1ccccc1 142736998 XGYWCRQSLCHFAX-HKUYNNGSSA-N 378.346 4.096 0 1 GIAF Cc1ccc(OCC(=O)N(Cc2nc(-c3ccc(C)cc3)no2)CC(C)C)cc1 95601523 JVSPOHFREHIPAG-UHFFFAOYSA-N 393.487 4.417 0 1 GIAF COc1ccc([C@@H](C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653773226 DSAKAVVBAPINHP-CYBMUJFWSA-N 383.444 4.278 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(C)nc3[nH]2)c1 587049957 KPWSLYJGEDUDHQ-KTKRTIGZSA-N 397.866 4.310 0 1 GIAF Clc1ncc(Br)c2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587017486 XFSKURCAPGXPRK-MRVPVSSYSA-N 385.674 4.349 0 1 GIAF CC(C)(O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611769 UBHCRHYSKBHYTC-XXBNENTESA-N 376.408 4.020 0 1 GIAF CCc1cccc2c([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cn(CC(=O)O)c12 587388797 AZDBRPAYGUUKLK-QHCPKHFHSA-N 392.455 4.060 0 1 GIAF CCOC(=O)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587799281 ROKMBHXBGDAHAE-SUFBMKPHSA-N 384.289 4.071 0 1 GIAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587376585 JNHGJWLZVKOSLU-GOSISDBHSA-N 376.250 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CN(C)C(=O)OC(C)(C)C)N1 587744426 ZWCLPZTXQZCNLX-ZUZCIYMTSA-N 387.293 4.030 0 1 GIAF COc1ccc(Br)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F 587382050 NRQHBDVOOMHOAB-CQSZACIVSA-N 380.213 4.194 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccccc2)N1 587742433 KYQIEYGZOKFAND-HXPMCKFVSA-N 391.284 4.366 0 1 GIAF Cc1ccc([C@]2([C@H](C)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587828148 RUBJSQRHAAXPDY-JMERFSKESA-N 378.285 4.055 0 1 GIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2sc(=O)oc12 587537257 CDGYQYZZHGZNCI-INIZCTEOSA-N 382.437 4.448 0 1 GIAF Cc1cc(C(=O)O)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587825679 HVGUDMVWDBZWKJ-DYZYQPBXSA-N 378.241 4.218 0 1 GIAF COc1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cc1OC 587204036 UTJPPHFNTUEOTD-UHFFFAOYSA-N 396.447 4.097 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CNC(=O)OC(C)(C)C)(C1CCC1)CC2=O 587471359 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4.408 0 1 GIAF O=C1C[C@@H](c2ccccc2)NC(=O)[C@H]1C(=O)Nc1ccc(C2CCCCC2)cc1 169727241 LTJDRUZRLUUWHU-RBBKRZOGSA-N 390.483 4.119 0 1 GIAF O=C(CCCCCNC(=O)N1Cc2ccccc2C1)NCCCc1ccccc1 167032164 UTEGRPIJESEFJP-UHFFFAOYSA-N 393.531 4.021 0 1 GIAF COc1cc(-c2n[nH]c3ccnc(-c4cccc(O)c4)c23)cc(OC)c1OC 205210863 AVSTYJXNNPJNGD-UHFFFAOYSA-N 377.400 4.023 0 3 GIAF OCc1cccc(-c2nc(N=c3cc(C4CC4)[nH][nH]3)c3cc(Cl)ccc3n2)c1 1857634050 SROZZKLIJIMKAK-UHFFFAOYSA-N 391.862 4.209 0 1 GIAF CC1(C)CCCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857759426 QGHIRYFCAFOZSO-MRXNPFEDSA-N 386.442 4.082 0 1 GIAF CCc1c(C)nc(OC)c(NC(C)=O)c1[C@](C)(OC(C)=O)c1cc(C)cc(C)c1 5847245 YTPLGXFXVHNNIL-HSZRJFAPSA-N 398.503 4.363 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C 7997611 RUDATBOHQWOJDD-MIEDGDJASA-N 392.580 4.478 0 1 GIAF C[C@@H]1CCC[C@]1(Oc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1)C(=O)O 27525327 HDYARACYWFANNM-VOIUYBSRSA-N 393.483 4.379 0 1 GIAF C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCCC1 27626147 SXOUJRTVJACORW-KRWDZBQOSA-N 380.488 4.185 0 1 GIAF CCCCCCNC(=O)n1nc(C(=O)Nc2ccc(F)cc2Cl)cc1C 35792952 IXEDRHGTLPBAAJ-UHFFFAOYSA-N 380.851 4.374 0 1 GIAF O=S(=O)(c1cccs1)N1c2cc(F)c(F)cc2-c2n[nH]cc2[C@H]1C1CC1 43176069 VILRXGUHYYSGJD-QGZVFWFLSA-N 393.440 4.076 0 1 GIAF O=C(CSc1snnc1-c1ccc2ccccc2c1)Nc1ccccn1 45334574 NCPSXAUIUCNTKX-UHFFFAOYSA-N 378.482 4.484 0 1 GIAF COc1ccc(OC)c(-c2cccc3c(N)c4c(nc23)CN(C2CCC2)C4=O)c1 71281465 IPRPEMNPDVAAOU-UHFFFAOYSA-N 389.455 4.010 0 1 GIAF Cc1ccccc1CNc1ncnc2c1nc(C1CC1)n2CC[C@H]1CCCN1C 82180534 IFYZQJDMFBNURT-LJQANCHMSA-N 390.535 4.109 0 1 GIAF CCCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(O)cc2)cs1 82197883 RCCSIMYSZXTDCV-INIZCTEOSA-N 393.578 4.356 0 1 GIAF Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NCC2CC2)cn1 142267113 MBRABNLWKANAQU-UHFFFAOYSA-N 397.862 4.417 0 1 GIAF CC1(C)CC[C@@H]2Nc3ccnn3[C@H](c3ccc(F)c(Br)c3)[C@H]2C1=O 253634015 MJPBFWJRPNCFTK-CWRNSKLLSA-N 392.272 4.174 0 1 GIAF CCN1CCN(CC)[C@@H]2CCn3c(c(C)c4cc(Br)ccc43)[C@H]21 299809312 ONHHXZOXMRUAII-MJGOQNOKSA-N 376.342 4.183 0 1 GIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586971959 CGYVWXCBWJNKQB-CYBMUJFWSA-N 395.315 4.375 0 1 GIAF COC(=O)c1cccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587076751 NEJSZEJHEFMHSC-UHFFFAOYSA-N 379.803 4.438 0 1 GIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(F)c(C)c2[nH]1 587113155 OQBYIOSDKHFYOL-SFHVURJKSA-N 379.357 4.429 0 1 GIAF Cc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2cc1Cl 587237045 LLCKKPVBYGKWJQ-UHFFFAOYSA-N 379.888 4.180 0 1 GIAF Cc1nc(O)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336159 JHUGVDYYEJLHGI-IFMALSPDSA-N 379.387 4.215 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccsc1C(=O)O)O2 587411751 VLLBSSYPNQUNII-NRFANRHFSA-N 379.437 4.246 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c(F)n1)CC2=O 587469588 AWAOAPIFEMKBRW-HNNXBMFYSA-N 380.213 4.348 0 1 GIAF CC(C)(C)OC(=O)NCC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572843 RGKDDDIMZMFWFY-VGSWGCGISA-N 399.443 4.027 0 1 GIAF CC(=O)c1cc(N)cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587581263 VHIVNFYNXWIHPS-REWPJTCUSA-N 389.407 4.054 0 1 GIAF CCCCc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587587893 QIUQLSRRZQNYOU-SIKLNZKXSA-N 376.412 4.228 0 1 GIAF COc1cccc(OC)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590319 BSUFJDKTLZOULN-DENIHFKCSA-N 378.380 4.112 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@]1(c2ccccc2)CCOC1 587615234 FOXJGUAGNHLGID-TUACAJSNSA-N 388.419 4.081 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OC(F)F)nc2)N1 587712428 APXSLKYREASRQO-ANRSDYALSA-N 387.199 4.208 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccc(C(F)(F)F)n2)N1 587715063 RGLXXHJWTISALT-FUXBKTLASA-N 390.178 4.021 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccco3)nc2)N1 587774290 LXTMSXJLCBBVGB-DYZYQPBXSA-N 388.240 4.262 0 1 GIAF Cc1ccc(C(=O)O)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587828745 UYJRLDUUAXJYRA-WYRIXSBYSA-N 392.268 4.393 0 1 GIAF Cc1cc(C(=O)O)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587829842 YHPWJYDVLTXCGE-QGHHPUGFSA-N 378.241 4.218 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CNc1ccc(F)cc1F 587870988 MWRUBPIYPAEVFL-UHFFFAOYSA-N 375.350 4.118 0 1 GIAF O=C1OCC[C@H]1Oc1cccc([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1 962666403 MAYXUXIIQPIYHN-VWNXMTODSA-N 385.463 4.283 0 1 GIAF Fc1cccc2c1[C@@H](c1cnc3cc(Br)ccn13)N1CCC[C@@H]1C2 963103701 LKCMWBDWWYRCHU-AUUYWEPGSA-N 386.268 4.346 0 1 GIAF O=C(O)c1cccc2c1CCN[C@]2(c1ccc(Cl)c(Cl)c1)c1ncco1 963118252 BCOQNMDJLLGPMW-IBGZPJMESA-N 389.238 4.117 0 1 GIAF CCc1c(O)nc(=O)n(COCc2ccc(F)c(F)c2)c1CC1CCCCC1 1772656580 JZTFEFJNRVEKQB-UHFFFAOYSA-N 392.446 4.087 0 1 GIAF O=C(NCCOc1ccc(Cl)cc1)c1c(C2CC2)nc2cc(Cl)ccn12 1857564667 ZJKRGSPAKISWMQ-UHFFFAOYSA-N 390.270 4.327 0 1 GIAF CCCCCC[C@H](C)C=C(C)C=CC(=O)O[C@@H]1C=CC(=O)O[C@@H]1C=CC(=O)O 2356456161 SZTWZPUAGRSHIP-QXAKKESOSA-N 390.476 4.130 0 1 GIAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC[C@H]1[C@@]2(C)CC[C@H](O)[C@@]1(C)CO2 2356478405 CTQYKKGZEKTFJL-AWAHEQQVSA-N 398.499 4.464 0 1 GIAF CCCC1([C@H](O)CC=C[C@@H]2[C@@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 2356656065 PAYNQYXOKJDXAV-YXYSEUPNSA-N 394.552 4.255 0 1 GIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC 2356670063 YSYZPARABHAHEC-DSTKQXLTSA-N 378.509 4.193 0 1 GIAF Cn1cc(CN2CCC[C@@H](C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)cn1 12715311 QEGXCBLWTMLRHF-HXUWFJFHSA-N 392.478 4.077 0 3 GIAF CCCNC(=O)c1cc([C@@H]2CCCCN2C(=O)c2ccc3ccccc3c2)on1 61907161 ZUNWVZQVYOIGAQ-FQEVSTJZSA-N 391.471 4.335 0 3 GIAF COc1ccccc1NC(=O)Nc1nc([C@H](N)CCc2ccccc2)cs1 61907947 MSLQBODARMJEAA-OAHLLOKOSA-N 382.489 4.428 0 3 GIAF O=C(O)c1cc2c(OCCCO)cccc2n1Cc1ccc(Cl)c(Cl)c1 1549091 YGJHGQLETHWFCU-UHFFFAOYSA-N 394.254 4.456 0 1 GIAF Cn1c2ccccc2c2c(C(=O)N3CCCCC3)cn(C3CCCC3)c(=O)c21 4904596 MVMGLQCEEMZNRU-UHFFFAOYSA-N 377.488 4.234 0 1 GIAF C[C@@H]1Nc2cc(NC(=O)OCc3ccccc3)nc(N)c2N=C1c1ccccc1 6494509 PKKHMQZLJGTOCR-AWEZNQCLSA-N 387.443 4.347 0 1 GIAF CCS(=O)(=O)N(Cc1cccnc1)c1cccc([C@H](F)c2ccccc2)c1 26834633 VDKCBRJPJMMTEC-OAQYLSRUSA-N 384.476 4.497 0 1 GIAF CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H](CO)c1ccccc1 28956325 VTCADMPFZDCETP-IBGZPJMESA-N 378.476 4.243 0 1 GIAF O=C(O)c1cccc2c1Cc1c-2[nH]c2ccc(I)cc12 26182988 PNGQYGKBUAQAKD-UHFFFAOYSA-N 375.165 4.042 0 1 GIAF CCN(CC)C(=O)c1c(NC(=O)c2scnc2C)sc2c1CCCC2 28707872 JPKJPVSUZJVMSZ-UHFFFAOYSA-N 377.535 4.126 0 1 GIAF O=C1CC[C@@H]([C@@H](O)C=CCCCCCC=C(Br)Br)O1 2356716958 CHSPIILKMVACOK-RYUDHWBXSA-N 396.119 4.191 0 1 GIAF CC1=C[C@@H]2CC(C)(C)C[C@@H]2[C@]2(C)C[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@@]12O 2356829410 IYEAUWRMSINGJO-QRSTZYLQSA-N 386.488 4.085 0 1 GIAF CCN(CC)CC(=O)N[C@H]1C[C@@H](c2ccccc2)Oc2c(C)c(C)c(O)c(C)c21 40407400 VKPOHYWNQXRRHX-PMACEKPBSA-N 396.531 4.340 0 1 GIAF O=C1CSC(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]2c2ccco2)=N1 84670534 BISDCCJIOMSJNZ-CYBMUJFWSA-N 380.256 4.367 0 1 GIAF COc1ccc(-c2ccc3ncc(-c4ccc(OC)c(OC)c4)n3n2)c(C)c1 82082804 ZHBRLCFCCVZMRN-UHFFFAOYSA-N 375.428 4.398 0 1 GIAF CC(C)Cc1nc2c(NCCCc3ccccc3)ncnc2n1C[C@H]1CCCO1 82179975 YQMIYWBRHAUBAP-LJQANCHMSA-N 393.535 4.249 0 1 GIAF CC(C)[C@H](Nc1ccc(F)c([C@]2(C)COCC(N)=N2)c1)c1ccc(Cl)cn1 143084989 XUDAQSPLHDYMTP-PMACEKPBSA-N 390.890 4.286 0 1 GIAF CC(C)Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCOCC2)n1 230564504 OAMQEFJZSQDWIU-UHFFFAOYSA-N 381.455 4.318 0 1 GIAF C[C@H]1CN(c2ccccc2Sc2ccc(Cl)cc2)[C@H](C)CN1CC(=O)O 261123476 JWJRJOKVXACSQY-LSDHHAIUSA-N 390.936 4.475 0 1 GIAF CCNS(=O)(=O)c1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)c(NCc2ccccc2)c1 653719660 XGFSUXJOQVKUAY-WFXMLNOXSA-N 399.560 4.197 0 1 GIAF CC[C@@]1(Cc2nc3ccc(C(=O)OC)c(OC)c3[nH]2)CC(=O)c2ccccc2C1 587962665 YVRIMYPWYZFFFR-QHCPKHFHSA-N 392.455 4.126 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccoc1Br 587543210 JYRQYMLGNFZGRQ-YOEHRIQHSA-N 387.185 4.451 0 1 GIAF CC(C)CCOC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352343 WZLWNYJYJSMJMJ-DENIHFKCSA-N 386.419 4.238 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccncc2)(c2ccncc2)N1 587780115 YMGDLHVVZHHLRJ-CYBMUJFWSA-N 398.279 4.204 0 1 GIAF CC(=O)N1CCc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587513147 HZFUZKBZYRDLKS-XMMPIXPASA-N 375.468 4.355 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12COCc1cccc(Cl)c12 587551625 HSPHAOCOMQVXIS-DENIHFKCSA-N 394.810 4.433 0 1 GIAF COc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587594184 MZOVKYPLSJQKDK-REWPJTCUSA-N 392.407 4.421 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC(C)=O)c(OC)c1)CC2=O 587477013 HCSMDUMMYXSZOM-QFIPXVFZSA-N 384.428 4.159 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(C(=O)OCC)cc1)CC2=O 587482286 NMWSSGXOAHQISI-KRWDZBQOSA-N 382.456 4.488 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc2c(c1)OCO2 587871832 CXHSGHLBJUCKOI-UHFFFAOYSA-N 385.420 4.062 0 1 GIAF Clc1nccc(-c2nc3ccnc(Br)c3[nH]2)c1Br 586979391 LRRAPTKXRBKTSG-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF CCOC(=O)C[C@@]1(c2sc(C)nc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587530635 GHBSFGKUEMXAKX-JOCHJYFZSA-N 399.512 4.453 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCOC[C@@H]1OCc1ccccc1)CC2=O 587493605 UNHDIRKQZZZLAV-JTHBVZDNSA-N 382.456 4.054 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(C=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 587356915 LJTPBLIWKBLFJL-JTHBVZDNSA-N 390.366 4.397 0 1 GIAF CC(=O)Nc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587741753 IGGVLLGKPHDUTC-MGNBDDOMSA-N 377.257 4.170 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cc(C(=O)OC)ccc13)CC2=O 587485936 SEXTZTXRMATMBT-FQEVSTJZSA-N 379.412 4.319 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3ccc(F)cc32)N1 587735749 UTHAFKCXDGLAFY-YPMLDQLKSA-N 380.232 4.288 0 1 GIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(F)c(F)c(F)c4[nH]3)cc2N1 587126713 MKJDGPCXZLBQEL-CDUCUWFYSA-N 375.276 4.151 0 1 GIAF COc1cc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1OC 587205380 QHVPURJWWYVKCQ-MRXNPFEDSA-N 377.485 4.062 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(O)cc1O)CC2=O 587455559 CTMPGUBWWCMJNT-KRWDZBQOSA-N 393.233 4.225 0 1 GIAF Clc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2n1 586999199 VJXMPIFIIHSZCZ-DAFODLJHSA-N 378.613 4.273 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)([C@@H](C)c1ccccc1)CC2=O 587483153 VLVXAKZZUFIKAA-WNSKOXEYSA-N 382.456 4.416 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3c2cnn3C)N1 587755879 BDMGHZYZAOVAIB-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF COC(=O)c1cc(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587811271 WETMMXZURWWNOM-BBATYDOGSA-N 392.268 4.307 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 888075827 RUDATBOHQWOJDD-BCBLOIHPSA-N 392.580 4.478 0 1 GIAF OC1CCC(Nc2nn3c(-c4cccc(OC(F)(F)F)c4)cnc3s2)CC1 117604457 XWJSGCNMEKTSNI-UHFFFAOYSA-N 398.410 4.072 0 1 GIAF COc1cnc(N2CCC(CCCNc3ccc4c(O)coc4c3)CC2)nc1 169727985 NQBAUZFNBYRWFJ-UHFFFAOYSA-N 382.464 4.046 0 1 GIAF O=C1c2cc(-c3ccc(C4CC4)s3)ccc2OCCN1Cc1ncccn1 206193015 LUMHREITPSNQQC-UHFFFAOYSA-N 377.469 4.117 0 1 GIAF COc1cc2ncc(-c3cccc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C 1857633658 PAGIPHDRIBSSTC-UHFFFAOYSA-N 378.881 4.236 0 1 GIAF COc1cc2c(c3oc(-c4ccc5c(c4)OCO5)cc(=O)c13)C=CC(C)(C)O2 13376255 VBBTVIKDQHQKQY-UHFFFAOYSA-N 378.380 4.382 0 1 GIAF biogenic CCCCNC(=O)[C@@H](C)C[C@H](O)[C@@H](N)C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 26655150 CGYZFWRQCWHXOQ-GPHNJDIKSA-N 390.612 4.184 0 1 GIAF COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCCCC3)[C@H]2C)OCO4)c1O 31861165 NTGCRYUQXNVBHI-RUGFAHKUSA-N 397.471 4.102 0 1 GIAF O=c1cc(/C=C/c2ccccc2)ccn1-c1ccc(OCCN2CCCC2)cc1 38252911 YTXGXAIGXXDHHK-CMDGGOBGSA-N 386.495 4.483 0 1 GIAF COc1ccc(C2(O)CN(CCCn3c4ccccc4c4ccccc43)C2)cc1 49802948 ZEEUOUGBWYNJPV-UHFFFAOYSA-N 386.495 4.397 0 1 GIAF O=C(Nc1cc(-c2ccccc2)on1)c1nc(C2CC2)ccc1Nc1cncnc1 96167416 AQOGZIXIPSCUIE-UHFFFAOYSA-N 398.426 4.400 0 1 GIAF CNC(=O)c1coc2c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c(N)ncc12 96273061 YTFTTZRBQUIPPL-SSDOTTSWSA-N 398.221 4.356 0 1 GIAF COC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CC(=O)O[C@@H]1c1ccccc1 142735556 NWKBBOALVUSAHW-IEBWSBKVSA-N 378.346 4.096 0 1 GIAF Cc1ccc2nc(C)c3nnc(-c4cc([C@H](O)C(C)C)ccc4Cl)n3c2n1 145734013 RGHSXVXSIDRFBH-QGZVFWFLSA-N 381.867 4.299 0 1 GIAF CSc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 205722908 VCSLPGDBORAHDP-KRWDZBQOSA-N 382.268 4.128 0 1 GIAF CCCC(Br)(CCC)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586970126 AEEPVQQEQICMNT-UHFFFAOYSA-N 375.288 4.000 0 1 GIAF Fc1cnc(Br)c2[nH]c(Cc3csc(-c4ccco4)n3)nc12 587018163 VBLUHENTKRMJQW-UHFFFAOYSA-N 379.214 4.167 0 1 GIAF C[C@H](c1nc2nc(Cl)c[nH]c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F 587130636 WQPOSLKVIGYBIF-GSVOUGTGSA-N 383.136 4.292 0 1 GIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587147201 FWTSPKLNSOEMKJ-UHFFFAOYSA-N 382.267 4.465 0 1 GIAF O=C1COc2cc3[nH]c([C@@H](Nc4ccccc4)c4ccccc4F)nc3cc2N1 587149820 LYZNXACRGJDUFP-NRFANRHFSA-N 388.402 4.234 0 1 GIAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(S)nc(S)nc3[nH]2)cc1 587158029 HEBLLCLISIOWHJ-UHFFFAOYSA-N 382.445 4.216 0 1 GIAF CCOC(=O)[C@H](CC)Oc1ccccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587400236 LYRPBCHFSFMUQT-AZUAARDMSA-N 383.444 4.004 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C=COc4ccc(Br)cc41)[C@@H](C2)C3=O 587417117 IUNCCPCDXITWAI-IFXJQAMLSA-N 385.213 4.007 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc4ccccc4c1)[C@@H](C2)C3=O 587432410 LPZKYHVHGGARQJ-CYFREDJKSA-N 387.435 4.383 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587449182 IFROZEYDEHXYFB-CYFREDJKSA-N 386.403 4.085 0 1 GIAF Cc1nc2c(C)cccn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585588 DUVOEROYAWLKIC-XMSQKQJNSA-N 386.407 4.360 0 1 GIAF Cc1c(C(F)(F)F)n[nH]c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587718543 ISNMCLVYPTYURX-DAZKTRTLSA-N 392.194 4.262 0 1 GIAF CC(=O)Nc1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587740686 FBJXEMNFPVBZIB-JEOXALJRSA-N 391.284 4.344 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CCC[C@H]2CN(C2CC2)C1 587771022 DUOMADBZEBLWQN-SNPRPXQTSA-N 393.344 4.212 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCCCOC 587860255 SDISYPGXGFOAMW-UHFFFAOYSA-N 388.320 4.015 0 1 GIAF O=C1CCC(c2ccccc2)(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC1 587970216 DFKYPQDPLJDYRV-UHFFFAOYSA-N 394.784 4.406 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1c(Cl)nc3scc(C)n13)N(C)[C@@H](C)C2 962563247 FLQZXDQCYGFVPN-MGPLVRAMSA-N 391.924 4.341 0 1 GIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc(Cl)s2)N1 962698274 GMPHGVBKUJEPSI-ZWNOBZJWSA-N 379.762 4.248 0 1 GIAF OC[C@]1(c2ccccc2Cl)c2cccc(F)c2CCN1[C@H]1CCSC1 962717934 WVKPVOYTWYSDCR-VBKZILBWSA-N 377.912 4.079 0 1 GIAF Fc1ccc(C[C@@]2(c3ccccc3)NCCc3nc4ccccn4c32)cc1F 962987450 MCQWRAIROBCNDP-QHCPKHFHSA-N 375.422 4.245 0 1 GIAF NCCc1ccc([C@]2(c3ccoc3)c3c(F)cccc3C[C@@H]3CCCN32)s1 963115530 VRMHDKLRLLXOMD-HTAPYJJXSA-N 382.504 4.294 0 1 GIAF Cc1cc(CN2CCC(C)CC2)c(C)c([C@H]2NCCc3c(C(=O)O)cccc32)c1 963119406 DXLLGGGTRWLFNO-DEOSSOPVSA-N 392.543 4.469 0 1 GIAF CCCCn1c(=O)c([C@@H]2CNC(=O)c3ccccc3N2)cc2ccc(Cl)cc21 1857749188 ICAOLFYCCQNGGQ-IBGZPJMESA-N 395.890 4.352 0 1 GIAF CCC[C@H](C)[C@H](OC(=O)C=Cc1ccccc1)[C@H](C)[C@H](O)CC=CC=CC(N)=O 2356598386 OJAGQZQYWOJBHT-HSJYVMOXSA-N 399.531 4.033 0 1 GIAF Cc1ncoc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 14967868 QSQODYSBELEHGX-GOSISDBHSA-N 378.476 4.274 0 3 GIAF CCC[C@H]1[C@@H](NC(=O)c2ccc(OC)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205712128 PXCUCEVBMKUIAZ-MDAIXWLXSA-N 398.547 4.165 0 3 GIAF Cc1ccc(S(=O)(=O)N[C@H](CCc2ccccc2)CC(=O)C(C)(C)C)cc1 8585547 KRRAOBCOGQCLCS-LJQANCHMSA-N 387.545 4.280 0 3 GIAF Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccc(N)cc1 103249856 QZBYYZMNTKJGFV-UHFFFAOYSA-N 376.441 4.252 0 1 GIAF O=C1CCC(c2ccc([C@H]3COC(=O)N3c3ccc4[nH]cnc4c3)cc2)CC1 116829000 UCCBYBIZZWTOKV-OAQYLSRUSA-N 375.428 4.488 0 1 GIAF COc1ccccc1-c1ccc(CN2CCN(c3ccccc3OC)CC2)[nH]1 29566159 JKBRWESDCBVYOF-UHFFFAOYSA-N 377.488 4.021 0 1 GIAF COC(=O)C1=CC=C[C@@H]2[C@]1(COC(C)=O)CC[C@@H](C)[C@@]2(C)CCc1ccoc1 2356619785 SYVYRCZGWRMKCF-JPVDLGIESA-N 386.488 4.483 0 1 GIAF COC[C@@H](CNC(=O)C1CCC1)c1c(-c2ccccc2)n(C)c2ccccc12 36242977 NWGDFTYBMDRIJF-LJQANCHMSA-N 376.500 4.492 0 1 GIAF CC(C)NC(=O)[C@]1(C)C[C@H]1[C@H](NC(=O)OCc1ccccc1)c1ccccc1 35931680 ONJDWAYKGBYQHM-MIZPHKNDSA-N 380.488 4.205 0 1 GIAF in-vitro COc1cc(Nc2ncc3ccn(-c4ccc(C)cc4)c3n2)cc(OC)c1OC 36348754 FEIQDIYBVIDZIG-UHFFFAOYSA-N 390.443 4.498 0 1 GIAF C[C@@]1([C@@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(Cl)cc2)C1=O 72178065 RMLMOCIFGRMCJA-YOEHRIQHSA-N 382.268 4.134 0 1 GIAF CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)OCCNC4)no2)cc1Cl 139955881 YNTQRLRRXGQAKF-UHFFFAOYSA-N 385.851 4.326 0 1 GIAF Cn1cc(C2=C(c3ccc(-c4ccccc4)cc3)C(=O)NC2=O)c2ccccc21 49126077 HHFFGVLWZSATAA-UHFFFAOYSA-N 378.431 4.413 0 1 GIAF CCCCS(=O)(=O)Nc1cccc(OCc2nc3ccccc3s2)c1 40504325 KBFLKPFNUOAQPX-UHFFFAOYSA-N 376.503 4.417 0 1 GIAF COc1ccc2cc1COC/C=C\COCc1cccc(c1)-c1ccnc(n1)N2 96903202 NVVRIZGTMNCPSN-IHWYPQMZSA-N 389.455 4.499 0 1 GIAF CC[C@@H](C)OC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl 98083580 KBVLILOVEKFCNX-SNVBAGLBSA-N 379.815 4.178 0 1 GIAF CCCN[P@](=O)(OC)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 95615436 CNEWOAMXZLQZFA-WXTAPIANSA-N 376.393 4.451 0 1 GIAF C=C=CCOc1cc2c(c3c1C[C@@H]1[C@@H](C)CO[C@]1(C)O3)C[C@@H]1[C@@H](C)CO[C@]1(C)O2 96900505 FKWVEIQJHNNCOJ-SSGLOAFDSA-N 398.499 4.274 0 1 GIAF Cc1cc(C)c(CSc2c(F)c(F)c(S(N)(=O)=O)c(F)c2F)c(C)c1 95589022 BPYBAELOXGVWRV-UHFFFAOYSA-N 393.427 4.108 0 1 GIAF CC[C@H](Cc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1)C(=O)O 653801651 WWAQGIRDUYUBMU-CQSZACIVSA-N 379.378 4.289 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](C(=O)O)C(C)(C)C2)N1 587825191 GJEASGVMHLCINF-MYFIVHGGSA-N 384.289 4.229 0 1 GIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(S(C)(=O)=O)ccc2[nH]1 587067188 XOZANKQKJUSXNZ-UHFFFAOYSA-N 385.876 4.386 0 1 GIAF CCN(CC)c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611449 ITMHQJONSWJQPI-FXAWDEMLSA-N 396.468 4.398 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3c(C)ccnc3[nH]2)c1 587048875 BUXGDBPYQHGTTH-FPLPWBNLSA-N 397.866 4.310 0 1 GIAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccc3ncoc13)CC2=O 587467657 FYWSVXZTHCALOG-RGPPVUSESA-N 392.455 4.422 0 1 GIAF CCc1nccn1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344145 WAHPIMNGIHIYON-RBBKRZOGSA-N 380.419 4.108 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(Cl)cnc1Cl 587555340 ZWAIKYFRNRFUAV-SUMWQHHRSA-N 389.194 4.192 0 1 GIAF COc1cccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602127 WJVHISIHDVGFIU-NZQKXSOJSA-N 376.408 4.364 0 1 GIAF CCOC(=O)C(F)(F)[C@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587500517 PLIKZMRBFYRYQU-VBKZILBWSA-N 378.415 4.268 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(OC(C)C)ccc3[nH]2)cc1 586938914 LKULYSNADGXYDN-AWEZNQCLSA-N 387.505 4.094 0 1 GIAF CCc1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn12 587588665 RFQCHTBXKSOHSX-AUSIDOKSSA-N 386.407 4.305 0 1 GIAF CCOC(=O)[C@@H]1CC[C@@]2(C=C1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587793388 DRWNYPJCLKAPMB-TVZGQMOCSA-N 396.300 4.237 0 1 GIAF CC[C@@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587703114 FTCZETGYYDWRQR-RTHLEPHNSA-N 382.195 4.249 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)ccc1N(C)C)[C@@H](C2)C3=O 587416839 GKQBLKZNEZRHFT-LIRRHRJNSA-N 388.261 4.012 0 1 GIAF N=c1cc[nH]cc1[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330547 BXDCOGGQVCZCDN-GGAORHGYSA-N 390.414 4.003 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(CCC[C@H](Cc3ccc(Cl)nc3)C2)N1 962903462 VATHEULPOFBZNO-GQNMWPQZSA-N 388.870 4.101 0 1 GIAF O=C(O)CC[C@@]1(c2ccc3c(c2)CCC3)c2ccc(F)cc2C[C@@H]2CCCN21 963097596 GXFKOCORZARZER-XUZZJYLKSA-N 379.475 4.443 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@@H](c3c[nH]c4ccc(Br)cc34)c3cccc1c32 963037735 VWZICXARJGCUOU-BIBXISHDSA-N 396.288 4.073 0 1 GIAF CCCN(CCCCCc1ccc(O)c(O)c1)[C@@H]1CCc2nc(N)sc2C1 142622187 CVHFBMSYCSPBIQ-MRXNPFEDSA-N 389.565 4.119 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3c(Br)cccc3C2)cc1 1772608184 RVUNWDNIHZOBLF-AWEZNQCLSA-N 387.321 4.205 0 1 GIAF COc1ccccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1occc1C)CC2 169702210 ZBGRTCDASZQOGI-UHFFFAOYSA-N 387.443 4.296 0 1 GIAF O=C(Nc1ccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)cc1)c1ccccc1 167588781 QCMJZEZOUONFPQ-UHFFFAOYSA-N 380.411 4.267 0 1 GIAF Cc1ccc2[nH]c(C(=O)NCc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1 205589146 JOGAUUASIFKXNY-UHFFFAOYSA-N 398.466 4.241 0 1 GIAF CN1CCc2c(sc3ncnc(Nc4ccc(F)cc4Br)c23)C1 1857557005 HYUVLLIEYCTCFT-UHFFFAOYSA-N 393.285 4.324 0 1 GIAF COc1ccc(Oc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1OC 5854350 NTLZSLWIUHOPQU-UHFFFAOYSA-N 388.427 4.271 0 1 GIAF Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@H](C)N(O)C(N)=O)c1 13603999 QDZIMWHVQAFJOS-AWEZNQCLSA-N 381.432 4.102 0 1 GIAF O=C(O)[C@@H]1CCCN(CCCCOCCN(c2ccccc2)c2ccccc2)C1 13801364 XBJNGBCEWYLJSS-OAQYLSRUSA-N 396.531 4.418 0 1 GIAF Cc1noc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c1Br 26473346 MFSNNOLDVFKULH-UHFFFAOYSA-N 393.262 4.213 0 1 GIAF CC[C@H](O)c1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)CC(C)C)c(O)c12 40423397 BTFZDVPXMARYML-HNNXBMFYSA-N 388.460 4.385 0 1 GIAF biogenic CCOC(=O)C1CCN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)CC1 72101581 CUWBOQMKUIFJDY-UHFFFAOYSA-N 383.275 4.424 0 1 GIAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1C[C@H](O)CN1C(=O)c1nccs1 72176835 XNSZTLNSVWTRSI-MAUKXSAKSA-N 399.903 4.115 0 1 GIAF c1ccc(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)cc1 98177197 UQKWOKJGPLYPHU-UHFFFAOYSA-N 380.517 4.146 0 1 GIAF CC[C@@H](C)C(=O)OC/C=C/c1c(OC)cc(OC(=O)[C@H](C)CC)cc1OC 141606439 OBZBPIALARPOKZ-SXKCSBRWSA-N 378.465 4.258 0 1 GIAF CCC[C@@H](O)c1ccc(Cl)c(-c2nnc3c(C)nc4ccc(C)nc4n23)c1 145735008 NBSFRDYQPJRINF-QGZVFWFLSA-N 381.867 4.443 0 1 GIAF O[C@@H](c1ccccc1)[C@H](c1ccccc1)N1CCN(CCc2ccccc2)CC1 169334393 RFKXNDDAXMWNQB-UIOOFZCWSA-N 386.539 4.322 0 1 GIAF CN(Cc1nccc2c3ccccc3n(CCN)c12)[C@H]1CCCc2cccnc21 200688850 YPIBGKBPCMCEEX-QFIPXVFZSA-N 385.515 4.053 0 1 GIAF COCc1c(Cc2ccccc2)c(OC(C)C)nn1-c1ncc(C2CC2)cn1 299865404 NRAIZAKIRHVIEW-UHFFFAOYSA-N 378.476 4.064 0 1 GIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 586888974 KWZZPDZTJXMMNV-BZNIZROVSA-N 398.406 4.002 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@@H]3SCCc4sccc43)[nH]c12 587036646 IIIDKROMBWPNOF-CYBMUJFWSA-N 395.303 4.464 0 1 GIAF Cc1cc2[nH]c(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)nc2c(C)n1 587112846 FBSDKQILRICVQD-UHFFFAOYSA-N 394.422 4.465 0 1 GIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)cc2N1 587124520 BEPYVINKEJORGT-MLUIRONXSA-N 391.184 4.436 0 1 GIAF Cc1c(Cl)ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587149651 OYOAZTMXSDEWOV-GFCCVEGCSA-N 375.806 4.319 0 1 GIAF Cc1cccc(NC(=O)Cc2nc3ccc(F)c(Br)c3[nH]2)c1C 587239501 QEBKSEGZQDHPIM-UHFFFAOYSA-N 376.229 4.263 0 1 GIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 587241503 DPAWXNJCESXXEG-UHFFFAOYSA-N 383.404 4.054 0 1 GIAF C=CC(=O)NC(C)(C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332942 FCCJRVMSYVIPDH-NFBKMPQASA-N 397.446 4.120 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3c(O)cccc32)[C@@H]1c1ccc(F)cc1 587352514 KWRJMBALSXEDQG-FYYLOGMGSA-N 376.383 4.438 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(N4CCCCC4)c(F)c1)[C@@H](C2)C3=O 587426714 PHWKYXLTRJBTQQ-SBUREZEXSA-N 381.447 4.487 0 1 GIAF COC(=O)C[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442676 KLDNBSKJQWEVBT-KOSHJBKYSA-N 394.467 4.199 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccc(Cl)cn12 587552921 TUIRDKOKOIUXBJ-WIYYLYMNSA-N 392.798 4.396 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(F)cccc12 587569042 JUUWCGZFTLHUHQ-XMSQKQJNSA-N 378.355 4.171 0 1 GIAF CC(C)n1ncc2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582045 NHWSIPOCIWTIAR-REWPJTCUSA-N 390.439 4.363 0 1 GIAF CCC[C@]1([C@@H](C)C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597266 QKJPVGJTCXHDGR-VELBRHGASA-N 384.428 4.092 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccccc2c1=O 587612917 WMTIMAYJCSPXQH-XXBNENTESA-N 386.359 4.202 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(N)cc(F)cc2F)N1 587717738 GMJZNYDXQVOQKO-QPFGOUBPSA-N 385.227 4.246 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2n[nH]c3ccc(F)cc23)N1 587735780 VDNDBRHXUQNEAV-VPTHRUTESA-N 378.220 4.227 0 1 GIAF COc1ccc2[nH]nc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587791150 FOCPBLGERMHOMQ-HUTHGQBESA-N 390.256 4.097 0 1 GIAF CCOC(=O)[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587799279 ROKMBHXBGDAHAE-RRUGBERISA-N 384.289 4.071 0 1 GIAF CC(C)c1nn(C)c2c1[C@@H](c1nc3cc(Br)ccc3s1)NCC2 962921426 TWZQNEBMZVQSSF-INIZCTEOSA-N 391.338 4.151 0 1 GIAF COc1cc2c(cc1OC)-c1nc3ccc(C)cc3c(NCCN(C)C)c1C2 1857535100 XQDUZOZFLRWGKQ-UHFFFAOYSA-N 377.488 4.105 0 1 GIAF Cc1cc2c(c(C)c1Br)[C@@H](c1ccc3c(c1)OCO3)CC(=O)O2 13814854 DQVWTGQLVBSKIM-GFCCVEGCSA-N 375.218 4.236 0 3 GIAF aggregator C[C@@H]1[C@@H](O)C[C@@]2(C[C@H](O)c3cc(F)ccc3O2)O[C@H]1c1ccccc1Cl 201480686 UFZVWWJQTJGFLL-YGNWVFQLSA-N 378.827 4.150 0 3 GIAF Cc1ccccc1N1C(=O)[C@@H](Cc2ccccc2)N=C1N1CCc2ccccc2C1 9643619 LDUZETSVUMJFJZ-HSZRJFAPSA-N 395.506 4.367 0 1 GIAF COC(=O)[C@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(F)cc(F)c2)C=C1C 103277988 ZLQXEUTVZUTOGF-JOCHJYFZSA-N 385.410 4.057 0 1 GIAF COc1ccc([C@H](N)c2csc(Nc3ccc(C(F)(F)F)cn3)n2)cc1 61905434 YLPZZILEOZCWSD-HNNXBMFYSA-N 380.395 4.357 0 3 GIAF COc1nnnc2c1sc1nc(N(C)Cc3ccccc3)c3c(c12)CCCC3 28949403 OCWIFVMEILSGKX-UHFFFAOYSA-N 391.500 4.158 0 1 GIAF COC(=O)c1sc2cc(Nc3ccccc3Br)cnc2c1N 66259494 WKPSRJIYNYNONM-UHFFFAOYSA-N 378.251 4.171 0 1 GIAF COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)s2)cn1 117429417 UYPBOKNKYJTLNE-UHFFFAOYSA-N 385.880 4.279 0 1 GIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@@H]12)[C@H]1C[C@H](C(=O)O)[C@H]3O1 2356796142 MWDJGWPPQHFEID-SPFLGXSNSA-N 388.504 4.262 0 1 GIAF COc1cccc(CCNCc2coc(-c3ccccc3Br)n2)c1 72183611 XWZVNYXGWBBXCP-UHFFFAOYSA-N 387.277 4.445 0 1 GIAF O=C(NCCCN1CCN2c3ccccc3CC[C@@H]2C1)c1ccc2ccccc2c1 36093096 XPGNEESVPGFUPQ-XMMPIXPASA-N 399.538 4.097 0 1 GIAF Cc1cccc(OCc2cncc(-c3cc4c(cc3F)N(C)C(=O)CC4)c2)n1 221021530 VPYAHOURBINDNQ-UHFFFAOYSA-N 377.419 4.079 0 1 GIAF COc1ccc(C[C@H]2COC(=S)[C@@H]2Cc2cc(F)c(F)c(F)c2)cc1OC 1911586052 NKXLCCLSRGUQDZ-UONOGXRCSA-N 396.430 4.496 0 1 GIAF CN1CCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCCCC4)CC1 96903265 PBYZLFRAJAMZBA-UHFFFAOYSA-N 393.560 4.164 0 1 GIAF Nc1ncc(Sc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2)s1 96258055 MNGBWCRDKSWDMJ-UHFFFAOYSA-N 386.889 4.229 0 1 GIAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587194695 XRDZXAIPDNPHAU-SNVBAGLBSA-N 388.846 4.012 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC2CCCCC2)(C(=O)O)N1 587829579 RDIAKTUPSDEICS-BBATYDOGSA-N 384.289 4.373 0 1 GIAF FC(F)(F)c1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cn1 587004968 GVKRUILTMNDTDD-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF CCOC(=O)CC1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587593811 FCRGCGLGXFNCIX-BOBCHSRXSA-N 396.439 4.236 0 1 GIAF FC1(F)Oc2cc3nc([C@@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c3cc2O1 587076978 QAQYBBGMRNBMIO-HNNXBMFYSA-N 377.734 4.155 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(C(=O)O)cccc32)N1 587820113 ABRMJILCZVREQN-GIGQVBGESA-N 390.252 4.010 0 1 GIAF COc1ccc(S(=O)(=O)Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 586920008 CRWFOKZAOLNBHC-UHFFFAOYSA-N 394.452 4.338 0 1 GIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2c(Br)ccc(Br)c2[nH]1 587963617 PFJPJOQDSUBOCD-YUMQZZPRSA-N 386.087 4.246 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)o2)N1 587766620 ONRLNZCTUQKVTD-VOJFVSQTSA-N 379.273 4.405 0 1 GIAF O=Cc1cccc([C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587601160 FJHRYUHCUOJMGP-QPPBQGQZSA-N 386.403 4.472 0 1 GIAF CCOC(=O)c1ccc(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1 587868824 UFUVWMVILUROAQ-UHFFFAOYSA-N 391.349 4.138 0 1 GIAF O=C1C[C@H](C2CC2)C[C@@]2(C1)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962636913 JKICTMFGVLVKRK-RZPFDVGOSA-N 386.539 4.408 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@@]3(CCCc4ccc(Br)cc43)c3cccc1c32 963030163 PVFJCYATFAINMN-SZNDQCEHSA-N 397.316 4.082 0 1 GIAF COCCCN1CCc2ccc(OC)cc2[C@@]1(C)[C@H](C)CCCCC(=O)OC 961319317 HPKPOHSQALMQJN-WZONZLPQSA-N 391.552 4.175 0 1 GIAF O=C(C[C@]1(O)CC[C@H](Cc2ccc(F)cc2)CC1)Nc1ccc2nc(O)oc2c1 1772603944 KQKYIUVHVBZFBO-VVONHTQRSA-N 398.434 4.165 0 1 GIAF COc1cc(/C=C/C(=O)Nc2ccccc2)ccc1OCCCN1CCCC1 1772589580 YOBAAIRRDJUNFP-ACCUITESSA-N 380.488 4.212 0 1 GIAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1cccnc1 13475371 QJOAYOHFDVJNOX-IBGZPJMESA-N 386.536 4.140 0 1 GIAF O=c1c([C@H](c2ccc(Br)cc2)n2ccnc2)coc2ccccc12 13675771 CRDMIHRISHLNPC-SFHVURJKSA-N 381.229 4.390 0 1 GIAF Cc1c(C(=O)c2ccc3ncccc3c2)c2ccccc2n1CCN1CCOCC1 13742595 FRSCTJFBEMHPHN-UHFFFAOYSA-N 399.494 4.061 0 1 GIAF CCn1c2c(c3ccccc31)CCN1CC[C@H](N(C)C(=O)c3ccccc3)C[C@@H]21 169322539 JHMRKDAXIKLUEL-CVDCTZTESA-N 387.527 4.495 0 1 GIAF CCc1ccc(Nc2cc(NC(=O)Nc3cc(OC)cc(OC)c3)ncn2)cc1 1857589610 ROMIGMSHWKKGHA-UHFFFAOYSA-N 393.447 4.444 0 1 GIAF CN(C)CCNc1cncc(-c2ccc3[nH]cc(-c4cccc(F)c4)c3c2)n1 1857637030 OXTPERZFYREBFH-UHFFFAOYSA-N 375.451 4.405 0 1 GIAF CCOC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)c(C)c1 2925029 DYTWXEMEUKXHNR-UHFFFAOYSA-N 394.905 4.064 0 1 GIAF Cc1cc(Cl)ccc1OC[C@@H](O)CNC(C)(C)Cc1c[nH]c2ccccc12 26731471 JUAWTGSLNZCEDH-SFHVURJKSA-N 386.923 4.480 0 1 GIAF O=C(Nc1cc(F)ccc1F)c1cccc(C(=O)Nc2cc(F)ccc2F)n1 28708416 PCZUBUIDLNQFIG-UHFFFAOYSA-N 389.308 4.143 0 1 GIAF CC1(C)SC(Nc2ccccc2)=NN1C(=O)COc1ccccc1Cl 103172334 MTGJOSRHLAQCOF-UHFFFAOYSA-N 375.881 4.413 0 1 GIAF O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCNC1 26288422 FIFJMFXFFGFNHW-BJOHPYRUSA-N 378.316 4.305 0 1 GIAF CC(C)(C)c1ccc(Oc2cccc([C@@H]3SCC(=O)N3CC(=O)O)c2)cc1 27755407 QTUQOLMXTOGECR-FQEVSTJZSA-N 385.485 4.435 0 1 GIAF COc1ccc(CN[C@H]2C3CCN(CC3)[C@@H]2c2cccc(Cl)c2)c(OC)c1 27983840 QECBUZHWFDACDA-FCHUYYIVSA-N 386.923 4.282 0 1 GIAF O[C@@H](CNCCC1c2ccccc2Oc2ccccc21)COc1ccccc1 26402903 UNPADGJRWPUROV-SFHVURJKSA-N 375.468 4.344 0 1 GIAF O=C(NCC1CCCCC1)c1nccnc1NC(=O)c1cccc2ccccc12 38267957 NFKFHKPFGGDEGL-UHFFFAOYSA-N 388.471 4.192 0 1 GIAF CN(C)c1ccnc2sc3c(=O)n(-c4ccc5scnc5c4)ccc3c12 35283131 HJEWYPNNQPXFJA-UHFFFAOYSA-N 378.482 4.276 0 1 GIAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCC3CC3)cc2)cc1 43062537 COTQUFSBYWGOIV-GOSISDBHSA-N 398.572 4.069 0 1 GIAF CC(C)(C)Cc1nc2c(NCc3cccs3)ncnc2n1C[C@@H]1CCCO1 82178186 BLCRNLQRVFMMBK-AWEZNQCLSA-N 385.537 4.268 0 1 GIAF CCCSc1nc(=O)c(Cc2ccccc2)c(O)n1-c1ccccc1OC 1911577567 VRYPGSLXTMSVMP-UHFFFAOYSA-N 382.485 4.040 0 1 GIAF C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(Nc3ncnc4ccccc34)(C1)C2 1911579084 JKMLPWYPEWMTBB-XWIYTBAMSA-N 376.435 4.378 0 1 GIAF CCCC(=O)Nc1ccc2c(c1)-c1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 1911586869 WMYHWQZCZLJFGR-GOSISDBHSA-N 380.488 4.195 0 1 GIAF CCCC[C@H](CC)C(=O)OC[C@]1(CO)C/C(=C\c2ccc(Cl)cc2)C(=O)O1 44418180 JEDIOERZFNMBAO-CFDSWCKNSA-N 394.895 4.161 0 1 GIAF N=C(N)SCc1ccccc1Sc1cc(F)c(F)cc1CSC(=N)N 84689409 CMMRFQALGJBNQE-UHFFFAOYSA-N 398.529 4.369 0 1 GIAF CC(C)(C)c1ccccc1OCCN1CCC(NC(=O)c2cccc(F)c2)CC1 95577292 TZLNVLSRSRQZRN-UHFFFAOYSA-N 398.522 4.396 0 1 GIAF COc1c(-c2cc3c(OC)cc(O)cc3oc2=O)ccc2c1CCC(C)(C)O2 238746322 XILBZGRYBSYBDA-UHFFFAOYSA-N 382.412 4.286 0 1 GIAF COc1ccc([C@H]2c3ccccc3C(=O)N2c2ccc3nc[nH]c3c2)cc1OC 96168044 ICKMOIBSQQCIKY-QFIPXVFZSA-N 385.423 4.330 0 1 GIAF C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1)c1ccc(F)cc1 299877274 GYYGGNFFYYLXPU-ONTRVFCTSA-N 378.403 4.388 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C1 587798466 OLUHQLXXMNXGSM-HAKKBZAZSA-N 398.316 4.317 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2cccs2)N1 587844863 CHABXGHBEMSQAF-BTDLBPIBSA-N 398.297 4.292 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1-c1ccccc1OC)CC2=O 587477109 UOHGEUAXCACNSU-OAQYLSRUSA-N 392.455 4.460 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc(F)cc(F)c32)N1 587738607 PHVHZSZQMDDAQK-YYSFKGJASA-N 398.222 4.427 0 1 GIAF Fc1cccc(Cn2nnc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2Cl)c1 587160960 JEAJDMCLSSOJRT-UHFFFAOYSA-N 380.185 4.455 0 1 GIAF CC(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812181 ITBZRRAATOGWPP-BUXKBTBVSA-N 376.269 4.345 0 1 GIAF COc1ccc(OCc2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587455259 LCHKZIVALGYCBW-JPYJTQIMSA-N 392.407 4.365 0 1 GIAF Cc1cccc2c1NCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587799506 XKJYIKRQVAERAY-BLVKFPJESA-N 375.285 4.490 0 1 GIAF CCCCc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587776083 WFWDRECUPBFERB-BBATYDOGSA-N 378.289 4.344 0 1 GIAF Clc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 587186057 FPMQPUGSPDWSJS-UHFFFAOYSA-N 394.603 4.136 0 1 GIAF Clc1cc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2cn1 587001641 OSSOKJQFUAKCFP-UPHRSURJSA-N 392.640 4.315 0 1 GIAF COc1nccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027861 TUOLUCBIEPZLRW-PVAVHDDUSA-N 396.516 4.103 0 1 GIAF COc1ccccc1NC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587512777 PNRAHQJRJYASRU-HSZRJFAPSA-N 379.456 4.327 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(F)(F)F)c(OC)c1)[C@@H](C2)C3=O 587421348 PLDHXBAMWKMGHG-ORAYPTAESA-N 394.345 4.134 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(F)cnc4[nH]3)c(F)c2)c1 587147189 KKPBXERYHYMDJD-UHFFFAOYSA-N 381.338 4.277 0 1 GIAF COc1cc2c3c(c1)O[C@@](CCCCC(=O)O)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428826 QNHRVOBPAHPKTG-JTSKRJEESA-N 384.403 4.122 0 1 GIAF Cc1nc(Br)sc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587011265 MSPLXWGNDKNSKT-UHFFFAOYSA-N 398.595 4.171 0 1 GIAF CC(C)N1C[C@@H]2CCC[C@@H](C1)C21N[C@H](C)Cc2cc(Br)c(F)cc21 587771856 GKOBLGBXTPKUAE-KBMXLJTQSA-N 395.360 4.458 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1ccc(C)n1 587865817 KLBPGGWNAZGKIK-CYBMUJFWSA-N 392.381 4.374 0 1 GIAF Cc1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1C 587184420 SIZBNCHIKUXJNE-AWEZNQCLSA-N 391.256 4.027 0 1 GIAF Cc1cccnc1[C@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962915071 AGLZWJAYUBNRAX-SIKLNZKXSA-N 396.849 4.073 0 1 GIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2cccc(Oc3ccc(O)cc3)c2)N1 962917531 ZRLWVTKNADWCKF-SFTDATJTSA-N 379.387 4.012 0 1 GIAF CC[C@H](O)c1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c(O)c12 14586040 WLTRJQPEAXRLHQ-HNNXBMFYSA-N 388.460 4.385 0 1 GIAF biogenic C[C@H](N=O)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 169728266 BYAXDVFUOONWNJ-NSHDSACASA-N 388.855 4.323 0 1 GIAF CCn1c(=O)cc(C2CC2)c2cc(-n3c(C)cc(=O)n3-c3ccccc3)ccc21 1857566661 JRHXUARLZICXEJ-UHFFFAOYSA-N 385.467 4.149 0 1 GIAF O=S1(=O)C=C(Sc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21 1857631342 YSRYWRNPXVNBCU-UHFFFAOYSA-N 376.846 4.268 0 1 GIAF C[C@@H](C(=O)Nc1cnccn1)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 1857749684 UWFLPTWWSVWMMN-GFCCVEGCSA-N 387.365 4.376 0 1 GIAF Cc1ccccc1Cn1c(C(=O)O)c(CNCc2cccnc2)c2ccccc21 6803237 WIRUHMFXZXDSRP-UHFFFAOYSA-N 385.467 4.381 0 1 GIAF CCOC(=O)OC[C@H]1O[C@@H](c2cc(C)cc(C)c2)C=C[C@@H]1OC(=O)OCC 7992558 MTNRXWGXIGXDEC-FGTMMUONSA-N 378.421 4.014 0 1 GIAF COc1ccc(CN2C[C@@H]3C[C@H](C2)Cn2c3c(-c3cccs3)ccc2=O)cc1 25431344 GLVKJIKFFXVOJU-MSOLQXFVSA-N 392.524 4.205 0 1 GIAF biogenic COc1cc2c(cc1OCc1ccccc1)CCN=C2C(=O)c1ccccc1O 27559269 UOHNSRVWDAQXQG-UHFFFAOYSA-N 387.435 4.208 0 1 GIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/c2nccs2)c1 28461818 VUJPIWHYIZLNND-MDZDMXLPSA-N 393.512 4.170 0 1 GIAF C[C@H]1CC(=O)c2c(n(-c3ccc(C(N)=O)c(Br)c3)c3ccccc23)C1 29046230 RQZHTXXTSVYKRG-LLVKDONJSA-N 397.272 4.257 0 1 GIAF CCCCC1([C@H](O)/C=C/[C@@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 39409371 SJYHFXKOZHUXKM-ATFZQKPFSA-N 394.552 4.255 0 1 GIAF CNc1noc2c(-c3ccc4c(N5CCOC[C@H]5C)nncc4c3)c(C)ccc12 40956444 RXQPWAXTLUQACC-CQSZACIVSA-N 389.459 4.013 0 1 GIAF Nc1nc(-c2ccccc2Nc2ccnc3cc(-c4nccs4)ccc23)n[nH]1 45338123 PDUYCMMDXIKKEO-UHFFFAOYSA-N 385.456 4.469 0 1 GIAF NC(=O)c1cccc(S(=O)(=O)c2ccc(/C=C/c3ccc(F)cc3F)cc2)c1 49053973 CJYNZADQWSGLAG-QPJJXVBHSA-N 399.418 4.067 0 1 GIAF CSc1nc(NCc2ccncc2)c(C(=O)O)c(SCc2ccccc2)n1 53314115 RXEDZNULEFHWHJ-UHFFFAOYSA-N 398.513 4.196 0 1 GIAF COc1cc2c(NC3CCCCC3)c(C(N)=O)cnc2cc1-c1c(C)noc1C 84635923 MWCQWHMNJUFCOD-UHFFFAOYSA-N 394.475 4.359 0 1 GIAF O=C1Nc2ccc(Br)cc2/C1=C/c1c[nH]nc1-c1ccc(F)cc1 95605016 XCYLUCLXZAEZHF-CHHVJCJISA-N 384.208 4.471 0 1 GIAF Cc1cc(C)cc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)c1 100705211 HWEXTFHHANLOKS-UHFFFAOYSA-N 392.484 4.126 0 1 GIAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nc(O)c32)cc1OC 103954178 JJEOJCVQBMDLEO-OAHLLOKOSA-N 399.472 4.135 0 1 GIAF CCOC(=O)c1c[nH]c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2c1=O 169323680 BBRMGLAKEVCDLC-UHFFFAOYSA-N 393.317 4.396 0 1 GIAF Fc1cc(F)c(OCCCn2c3c(c4cc(F)ccc42)CNCC3)c(F)c1 169350528 HEEFJLFSNZZMLI-UHFFFAOYSA-N 378.369 4.313 0 1 GIAF Cc1ccc(N2CCc3ncnc(NCc4cccc(C(F)(F)F)c4)c3C2)nc1 202611192 YDJNHBYFRJQTCL-UHFFFAOYSA-N 399.420 4.374 0 1 GIAF O=C(Cc1cccc(Oc2ccc3nccn3n2)c1)Nc1cccc(Cl)c1 299830077 MHRPQBJRVJDWHT-UHFFFAOYSA-N 378.819 4.356 0 1 GIAF COC(=O)[C@@]1(Cc2ccccc2C(F)(F)F)CC(=O)O[C@]1(C)c1ccccc1 299838727 QWNMTFDNUIKFLD-WOJBJXKFSA-N 392.373 4.270 0 1 GIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Br)cc(F)c2[nH]1 586882540 XKXPSAOHQGCYQE-UHFFFAOYSA-N 389.224 4.393 0 1 GIAF Clc1ccnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 586964898 BFNMZLGPPPVBDU-UHFFFAOYSA-N 396.907 4.421 0 1 GIAF FC(F)(F)c1cnc2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 586978903 BXLXSGFLENDVBO-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF FC(F)(F)CSc1cc(-c2nc3cc(Br)cnc3[nH]2)ccn1 587092636 XUGFVKBOYZACRS-UHFFFAOYSA-N 389.200 4.437 0 1 GIAF N[C@@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@H]1c1ccccc1F 587153892 BDHDODJLPLGXCS-VFZGTOFNSA-N 386.299 4.093 0 1 GIAF Clc1nccc2nc(/C=C\c3cccc(I)c3)[nH]c12 587184195 PWDIAEVXXPMSKD-PLNGDYQASA-N 381.604 4.386 0 1 GIAF CC[C@H](C)OC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343982 AYKOJVJSPURSQC-VYALMSHHSA-N 386.419 4.381 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(Br)cc3)c1)O2 587372190 OKYIVGBKHSPECM-GOSISDBHSA-N 398.260 4.232 0 1 GIAF CCCCc1ccc([C@]2(C(=O)OCC)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587439793 DHZGVEDBTHBBNY-DVECYGJZSA-N 394.467 4.244 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1c[nH]c3ccccc13)CC2=O 587480029 BTZYJYXHGWNNKR-HSZRJFAPSA-N 393.439 4.250 0 1 GIAF O=C1C[C@]2(CCC(=O)N(Cc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587514799 PMOLLCFOBQIFFA-RUZDIDTESA-N 389.495 4.482 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2cccn2)cc1 587580097 HDHHQZYVRJXKQN-URXFXBBRSA-N 398.418 4.340 0 1 GIAF CCC[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596903 PTZKTGACBIOTRY-YBOAYWMSSA-N 384.428 4.092 0 1 GIAF O=C(Cn1nc(C(F)F)cc1C(F)F)n1nc2cc1Oc1ccc(F)cc1-2 587874351 WMJDDAAYMZCNQL-UHFFFAOYSA-N 384.264 4.207 0 1 GIAF Cc1cccc(CN2CCC(CC(=O)NCCc3c[nH]c4ccccc34)CC2)c1 653864069 QZHMJQWRHNORFP-UHFFFAOYSA-N 389.543 4.437 0 1 GIAF COC[C@@]1(c2cccc(Cl)c2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962634765 LLZCXCQNUPDJBZ-LHSJRXKWSA-N 375.896 4.124 0 1 GIAF COc1cccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)c1OC(C)=O 963007834 KBNQSYOQVHTCPO-NRFANRHFSA-N 394.496 4.225 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc3nccc(Cl)c3s2)N1 963240250 YPAOSLXIEJMUBZ-AEFFLSMTSA-N 395.871 4.186 0 1 GIAF Cc1cc(-n2cc(Cc3cc(F)cc(C(F)(F)F)c3)nc2C)ccc1C(N)=O 1772577025 KFYNNRAGLORXNT-UHFFFAOYSA-N 391.368 4.337 0 1 GIAF CN1CCN(c2nc(Cl)nc3c2ccn3Cc2ccc3ccccc3c2)CC1 1857767361 RYYVVJDKPYSFFF-UHFFFAOYSA-N 391.906 4.038 0 1 GIAF C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(CSc3nc4ccncc4[nH]3)cc2)C1 13118723 ULLZZWOHDXHGNY-HUUCEWRRSA-N 380.517 4.368 0 3 GIAF C[S@@](=O)c1ccccc1-n1cnc(-c2ccc(F)cc2)c1-c1ccncc1 4617927 WHXPUOMLBIINHX-MHZLTWQESA-N 377.444 4.478 0 1 GIAF CCc1c(Sc2cc(C)cc(C)c2)n(COCc2ccccc2)c(=O)[nH]c1=O 6424930 KYQAKOHJHCUILQ-UHFFFAOYSA-N 396.512 4.041 0 1 GIAF COc1cc(-c2oc3c(ccc4occc43)c(=O)c2OC)cc(OC)c1OC 14635250 OACYQSXLLVSYPQ-UHFFFAOYSA-N 382.368 4.241 0 1 GIAF biogenic,in-vitro COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc([C@H](C)N3CCCCC3)cc1)C2 28344388 UUCAJFDACITQCR-HJPURHCSSA-N 395.499 4.437 0 1 GIAF Nc1sc2c(c1C(=O)c1ccccc1)CCN(C(=O)OCc1ccccc1)C2 29571247 SWMIKGPXARWYGZ-UHFFFAOYSA-N 392.480 4.256 0 1 GIAF O=C1Nc2ccc(C(=O)Nc3ccccn3)cc2[C@@H](c2ccc(Cl)cc2)N1 66259937 LEKUPXKCNOFHRM-GOSISDBHSA-N 378.819 4.212 0 1 GIAF CCCN(CCC)c1c(C)c(Nc2ccc(OC)cc2Cl)nc2ncnn12 72119803 GTCOOEAGTNEARW-UHFFFAOYSA-N 388.903 4.465 0 1 GIAF COc1ccc(-n2c(C)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)c(C)c1 72122663 UZPJXDUEOHPKCO-UHFFFAOYSA-N 377.492 4.350 0 1 GIAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2ccccc2)C1 82132907 CJJSHGCXNLJKKR-QZTJIDSGSA-N 378.520 4.395 0 1 GIAF Cc1nc(C)c(CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)nc1C 84394821 IYUNLSHWFGXZQK-UHFFFAOYSA-N 379.335 4.026 0 1 GIAF C[C@@H](Oc1cc(-c2ccc3ccccc3n2)cc2ncccc12)[C@H]1CNC(=O)C1 147810894 IUKLCVNKYRSKCU-CRAIPNDOSA-N 383.451 4.353 0 1 GIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc2c(ccn2C)c1 167776342 XNKNJFATHUZRBM-IBGZPJMESA-N 378.472 4.449 0 1 GIAF CC(C)=C/C=C\C(C)=C\C=C\C(C)=C\CO[P@@](=O)(O)OP(=O)(O)O 169318928 HGSJQRJNWSBKOL-RJCNFNBYSA-N 378.298 4.184 0 1 GIAF CCCCC[C@H](CC(=O)CCc1ccc(OC(C)=O)c(OC)c1)OC(C)=O 196452321 PBYHUELMIHUJFS-LJQANCHMSA-N 378.465 4.024 0 1 GIAF CC(C)(NC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)n1)c1nccs1 206690929 APWMQHZEQPLGAN-UHFFFAOYSA-N 385.411 4.022 0 1 GIAF CC(C)CCC[C@]1(C)CCc2cc(S(N)(=O)=O)cc(Br)c2O1 220722791 YACZRABAKIZYHW-MRXNPFEDSA-N 390.343 4.007 0 1 GIAF CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2C[C@H](C)C[C@@H](C)C2)n1 299881371 NWUZHJPRZHIYIC-OAGGEKHMSA-N 385.512 4.365 0 1 GIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H]1CCCC[C@H]1O 299881868 OUAMMVPUGWXLEZ-JCHJZTRSSA-N 378.538 4.182 0 1 GIAF CC(C)(SCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)C(=O)O 586957963 BHWTZBOTOWBLAC-UHFFFAOYSA-N 397.216 4.441 0 1 GIAF O=C(O)CSc1ncccc1-c1nc2cc(Cl)c(C(F)(F)F)cc2[nH]1 586966943 MQUCGCZYVWALLR-UHFFFAOYSA-N 387.770 4.474 0 1 GIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(Br)c(F)c2[nH]1 587052593 XDLWBUDABIIKSO-SNVBAGLBSA-N 384.636 4.066 0 1 GIAF N[C@@H](Cc1nc2cccc(I)c2[nH]1)c1ccccc1Cl 587055271 ACNAVJZPKQLEOA-LBPRGKRZSA-N 397.647 4.063 0 1 GIAF COc1cc(Cl)cc(C=O)c1OCc1nc2c(Cl)c(Cl)cnc2[nH]1 587065294 NHHKLSQAMNXLDG-UHFFFAOYSA-N 386.622 4.318 0 1 GIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)cc(F)c2[nH]1 587069804 LFJKCUZKAYNHCN-JTQLQIEISA-N 382.664 4.403 0 1 GIAF Cc1csc([C@](O)(Cc2nc3cccc(C(F)(F)F)c3[nH]2)C(F)(F)F)n1 587094998 XMSOTMXZROFIRK-CYBMUJFWSA-N 395.328 4.339 0 1 GIAF Nc1ccc2c(c1)[C@]1(C=CO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336490 NORJNQGTMHDOCI-GMAHTHKFSA-N 389.382 4.274 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3cc(C)c(Br)cn13)O2 587371907 HUWNHSMSJFOLCQ-INIZCTEOSA-N 386.249 4.002 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccc(C(=O)O)o3)cc1)O2 587403066 DNYBEAVKOYGTCF-QFIPXVFZSA-N 377.396 4.416 0 1 GIAF CCCc1c(O)ccc2c1O[C@](COC(C)=O)(c1ccc(Cl)cc1)CC2=O 587463279 VEENMEDWSDWEHC-OAQYLSRUSA-N 388.847 4.422 0 1 GIAF CN1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587516200 ZZHUYRIJOXUYAM-HSZRJFAPSA-N 376.500 4.024 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cn1 587547159 PVEZYLZXIHPMIS-LPHOPBHVSA-N 398.212 4.253 0 1 GIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1C(=S)NC1CCCC1 587658404 PHQSMDCSMKHNIZ-UHFFFAOYSA-N 385.439 4.007 0 1 GIAF CCCCOC(=O)CC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789268 BGXHDBUAAZRVMK-KPZWWZAWSA-N 386.305 4.461 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3n[nH]cc32)N1 587795956 PGGJZBVTVKRFBV-MLCYQJTMSA-N 378.289 4.062 0 1 GIAF COc1ccc(COC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587800706 HOSHWZHSQCPFOU-SJKOYZFVSA-N 394.284 4.389 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CCC(=O)O)c2)N1 587826448 HKBQFYKYVIJARJ-JEOXALJRSA-N 392.268 4.229 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c[nH]c2ccccc12 587869405 HUXRGALIDUAYOD-UHFFFAOYSA-N 386.333 4.142 0 1 GIAF COc1ccc(CCCc2nc3c(F)cnc(Br)c3[nH]2)c(OC)c1 587928272 AIRTVAFLFMGKAE-UHFFFAOYSA-N 394.244 4.052 0 1 GIAF O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1cccnc1 653767604 DAGXJYRYKMTHGV-UHFFFAOYSA-N 398.451 4.191 0 1 GIAF Cn1cc(Br)cc1[C@H]1c2ccsc2CCN1Cc1cccnc1 962995078 FCMPXKKQTTVFCF-GOSISDBHSA-N 388.334 4.392 0 1 GIAF Cc1cccc(S(=O)(=O)n2c(CCCC(=O)O)cc3cc(Cl)ccc32)c1 1772600051 IEWRPAILASDPDG-UHFFFAOYSA-N 391.876 4.247 0 1 GIAF COc1ccc(-c2cc3c(c(OC)c2)OCCN(C(=O)[C@@H](C)F)C3)cc1Cl 1772629514 WMLOCJBVAYLCMN-GFCCVEGCSA-N 393.842 4.103 0 1 GIAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(F)cc3)nc21 1857758721 QDNCSUMDZIPGHG-UHFFFAOYSA-N 393.374 4.177 0 1 GIAF CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCC2=COC(=O)C2)[C@]2(C)CCCC(C)(C)[C@@H]12 2356431020 ZBICKXGNEGEFRD-QFBIBXIDSA-N 378.509 4.133 0 1 GIAF CCc1ccc([C@H]2C(C(=O)O)=C[C@@H](CC)N2S(=O)(=O)c2ccc(C)cc2)cc1 61947037 RQJOTWAKIUDVNP-NQIIRXRSSA-N 399.512 4.093 0 3 GIAF COc1cc(NC(=O)c2ccccn2)ccc1NC(=O)c1ccccc1Cl 66077940 RZZCVJKQCRSTKD-UHFFFAOYSA-N 381.819 4.248 0 3 GIAF O=C1CN(C(=O)C2CCCCC2)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2456432 VVHJAPVUAGHQIV-OAQYLSRUSA-N 384.426 4.415 0 1 GIAF CC[C@@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 4126210 DWBULRIHHPDXHE-UJUVCNOISA-N 389.499 4.004 0 1 GIAF O=C(Nc1ccc(F)cc1)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 100106555 AZMZMZUTRVPLLR-NUNAXRQHSA-N 387.458 4.464 0 1 GIAF COc1ccc(OC)c([C@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3ncnn32)c1 103531181 MLFXRXWFGGHJKE-WOOAAIBNSA-N 398.463 4.110 0 1 GIAF CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2ccc(OC)cc2[C@@H]1O3 29570900 JHBJXFJNSKBBLY-QFIPXVFZSA-N 392.455 4.111 0 1 GIAF O[C@](Cn1ccnc1)(c1ccc(Br)cc1)c1ccccc1Cl 26849757 VPYMOAPGOGGAAP-QGZVFWFLSA-N 377.669 4.235 0 1 GIAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2cccc(C)n2)/C1=C(/O)OCCc1ccccc1 29488672 RNFQZMIJMSQGOK-UUZBPDLYSA-N 393.443 4.485 0 1 GIAF C[C@]12C[C@H](CCCO)C3=C4CCC(=O)C=C4CC[C@H]3[C@H]1CC[C@@]21CCC(=O)O1 26467250 PLTBONJAGLYTDQ-XRHWHBSGSA-N 384.516 4.267 0 1 GIAF C[C@@]1(C(=O)Nc2cccc3c2CCCC3)CCN1C(=O)Cc1ccccc1Cl 61906967 IFGGJHIZBQLWCS-QHCPKHFHSA-N 396.918 4.391 0 3 GIAF Cc1oc(-c2ccccc2C(=O)N(C)C)cc1C(=O)Nc1nc2c(s1)CCC2 72141376 NVWABRBTAXKCDG-UHFFFAOYSA-N 395.484 4.154 0 1 GIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(C5CCCCC5)CC4)[C@@H]3C=C12 22939497 DUGACSPHBUDFSB-FZZWXMEGSA-N 398.591 4.171 0 1 GIAF biogenic Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2cc3c(n2)CCCC3)CC1 261134188 LTMGOEAKUDIGQE-RZDIXWSQSA-N 386.927 4.108 0 1 GIAF O=C(Nc1cncc(Oc2cncc(F)c2)n1)c1cc(Cl)cc(Cl)c1 299824023 DLEGTNARSFBDSI-UHFFFAOYSA-N 379.178 4.362 0 1 GIAF Cc1cc(C(=O)O)sc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587846659 VIZSLYCNSOFOBP-RTHLEPHNSA-N 384.270 4.280 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2c1cncnc1 587586608 KVAQFQFYPDTZDF-KPDCDPCYSA-N 388.423 4.240 0 1 GIAF Cc1[nH]nc2c1[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587791502 GAMCULOFQQUDDT-OVWNDWIMSA-N 392.316 4.370 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(F)cc1C2 587567892 FQJUPACCXROWHC-NZQKXSOJSA-N 376.383 4.421 0 1 GIAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587962885 KNOTZUYTGLGVRR-SFYZADRCSA-N 391.187 4.382 0 1 GIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1C 587590964 DUPDZIXLBMPPNG-CVDCTZTESA-N 392.407 4.421 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc3c2OCOC3)N1 587735894 VQBJFCNANYICEY-XLFHBGCDSA-N 396.231 4.217 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C)cc1O 587862370 LUEWKQXTGLTAMH-UHFFFAOYSA-N 376.334 4.280 0 1 GIAF CC(C)COc1cc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2cc1Br 586907754 WOWORMFSBOXCDA-JTQLQIEISA-N 381.270 4.169 0 1 GIAF COc1ncc(C)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587773515 ZAGIQEVKTZOAAK-ZMZPIMSZSA-N 379.273 4.098 0 1 GIAF COc1ccc(F)c(F)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587718527 NGMACEUNMLJKJZ-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF Cc1cc(Br)ccc1OCc1nc2c(Br)ccnc2[nH]1 586981042 JXBNKMKXACBJEF-UHFFFAOYSA-N 397.070 4.370 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c(OC)c1F)[C@@H](C2)C3=O 587425002 ZXPVEWFFFDGQKS-GTNSWQLSSA-N 393.208 4.094 0 1 GIAF COc1ccc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587591157 FZGIHCCGWOLYAW-UGKGYDQZSA-N 378.380 4.112 0 1 GIAF COCc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587801721 NETHRIHWNZPOPF-WYRIXSBYSA-N 394.284 4.367 0 1 GIAF CC(=O)N[C@H](Cc1nc2cc(C)cc(F)c2[nH]1)c1ccc(Br)cc1 586985833 SKRDZLGBUDAUMK-OAHLLOKOSA-N 390.256 4.193 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ncc[nH]2)(c2cccs2)N1 587852849 NNLKXJZSWUXNGB-QGHHPUGFSA-N 392.297 4.199 0 1 GIAF CCN(C[C@H]1c2ccsc2CCN1Cc1cccn1C)C(=O)OC(C)(C)C 962376248 VBPVYGSWBHVBLM-SFHVURJKSA-N 389.565 4.443 0 1 GIAF C[C@@H](O)[C@@]1(c2cccc(Cl)c2)c2ccsc2CCN1Cc1cccn1C 962376241 VAGFUWOTGAAZEK-QVKFZJNVSA-N 386.948 4.423 0 1 GIAF COc1cccc(C(=O)[C@@H](CC2CCN(Cc3ccccc3)CC2)C(C)=O)c1 1772598782 CHPNWZMYUOTTSE-QHCPKHFHSA-N 379.500 4.385 0 1 GIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cc2ccccc2n1C 167356896 NSZOOLJZICMMOL-LJQANCHMSA-N 378.472 4.449 0 1 GIAF NC(=O)c1cc(C2=CCNCC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 203825332 YOJVMCGWBVPSQK-UHFFFAOYSA-N 389.430 4.156 0 1 GIAF Cc1ccc(C(=C2C(=O)Nc3ccc(C(=O)O)cc32)c2nc3ccccc3[nH]2)cc1 1857624510 RHEKRIVAMQDVLV-UHFFFAOYSA-N 395.418 4.481 0 1 GIAF CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(OCc3ccccc3)c2[nH]1 595425 VMFOCQGPXUINDE-UHFFFAOYSA-N 387.443 4.345 0 1 GIAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@H](CO)[C@H](C)CC 775629 ODPAKYAXSFDBRT-GDBMZVCRSA-N 388.508 4.175 0 1 GIAF CCOc1nsc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc12 3633458 WKGISLZZMYJORN-UHFFFAOYSA-N 398.532 4.479 0 1 GIAF CC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)oc2C)C1 5056176 BSQMXJBMOVVRAH-RHSMWYFYSA-N 389.927 4.430 0 1 GIAF NC1=N[C@@H](c2cccc(Oc3ccccc3)c2)N(c2cccc(Cl)c2)C(N)=N1 13559314 HEARZUMQNUJZRL-LJQANCHMSA-N 391.862 4.281 0 1 GIAF O=C(O)c1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 27110236 WJAIXKHFYYKSIQ-FCHUYYIVSA-O 384.411 4.283 0 1 GIAF Cc1ccc(NC(=O)N2CCN(Cc3sc4ccc(F)cc4c3C)CC2)cn1 43020711 LAPBQJWXXSACRS-UHFFFAOYSA-N 398.507 4.402 0 1 GIAF O=C1Cc2ccccc2N1CCCCN1CCN(c2cccc3ccccc23)CC1 45495600 AVIKDFLJIFWPHU-UHFFFAOYSA-N 399.538 4.331 0 1 GIAF NCc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)o1 66101746 JIIUPPGUEJSBII-OAQYLSRUSA-N 387.487 4.089 0 1 GIAF CC(C)CN(CC(=O)Nc1cc(F)cc(F)c1)C(=O)c1ccc(Cl)cc1 72128566 YMOAISLWKGXWJD-UHFFFAOYSA-N 380.822 4.355 0 1 GIAF C[C@]1(c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)CCSC(N)=N1 96174291 CQDDFFKQHIFUIV-LJQANCHMSA-N 389.908 4.024 0 1 GIAF C[C@]1(c2cc(Cl)cc(CC(=O)c3ccc(Cl)cn3)c2)CCSC(N)=N1 96174329 DUXTWGKKXUDKCF-GOSISDBHSA-N 394.327 4.481 0 1 GIAF CCO[C@@H](COc1ccc2cc(Br)ccc2c1)Cn1ccnc1 96903452 GLDMNUXTXLCMAB-GOSISDBHSA-N 375.266 4.283 0 1 GIAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1F 205961714 OMVKBRWDJSHQKQ-UHFFFAOYSA-N 377.297 4.434 0 1 GIAF CN(C(=O)c1cccs1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 299829357 MCAZRRIIYZQBOW-UHFFFAOYSA-N 383.313 4.337 0 1 GIAF O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)c1cc(F)cc(F)c1F 473183008 HVNSWTCSRQQLBZ-UHFFFAOYSA-N 383.797 4.236 0 1 GIAF OCc1cccc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 586894994 KAFGYWULZTXSSG-UHFFFAOYSA-N 387.155 4.383 0 1 GIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(Cl)c(C)c3[nH]2)c1 586930986 RDGFECNFMTVZQQ-UHFFFAOYSA-N 377.897 4.222 0 1 GIAF COc1cncc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587025961 JJIZAEPBWFXZAI-UAGQMJEPSA-N 396.516 4.103 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(C(C)(C)C)nc4[nH]3)cc12 587038016 PBKOUXIQTAOBSD-LLVKDONJSA-N 396.520 4.003 0 1 GIAF Oc1nc2cc3nc(COc4ccccc4C4SCCS4)[nH]c3cc2[nH]1 587044408 VRPJYOLHMNEXBR-UHFFFAOYSA-N 384.486 4.202 0 1 GIAF O=C(Cc1ccc(Cl)cc1)c1nc2nc(Cl)nc(C(F)(F)F)c2[nH]1 587072829 XVDPTKUGDAXNFH-UHFFFAOYSA-N 375.137 4.104 0 1 GIAF Cc1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1C 587184421 SIZBNCHIKUXJNE-CQSZACIVSA-N 391.256 4.027 0 1 GIAF COc1cc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2cc1OC 587205379 QHVPURJWWYVKCQ-INIZCTEOSA-N 377.485 4.062 0 1 GIAF N[C@@H]1CC[C@H](c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C1 587246426 JHMCTZOAZFTDJX-UONOGXRCSA-N 386.293 4.499 0 1 GIAF Cc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587353454 ZKOAYCGLIXDSGL-OFNKIYASSA-N 389.382 4.046 0 1 GIAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@@H]1CCCNC1)CC2=O 587485640 PYUNWBCHPIPLGN-KOSHJBKYSA-N 379.500 4.291 0 1 GIAF O=C1C[C@]2(CCCc3nn(-c4ccccc4)nc32)Oc2c1ccc1c2CCCC1 587516913 GGPLWQUFMOSQKI-DEOSSOPVSA-N 385.467 4.343 0 1 GIAF CCn1cc([C@@]2(CC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587583686 WOOILHHTQOMMBS-DENIHFKCSA-N 378.428 4.184 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)o1 587594218 MBELXCNDLZDFKL-UGKGYDQZSA-N 377.396 4.288 0 1 GIAF Cc1cc(C(=O)O)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608612 LVWDDAFGQKGFCA-NQIIRXRSSA-N 376.364 4.102 0 1 GIAF CCn1nc(C)c(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587699463 SMVYUOGJYLRSCG-ANRSDYALSA-N 386.696 4.390 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(N)c(F)c2)N1 587718110 HXICTULDGSQCKI-RBHXEPJQSA-N 385.227 4.246 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3cc[nH]n3)o2)N1 587798701 VLSPSFYWWBFXCB-XYZCENFISA-N 376.229 4.195 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CCCCC2)(C(=O)O)N1 587828686 PJMQEIZXAOZWGR-ZMZPIMSZSA-N 384.289 4.373 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H]1CC[C@@]2(C)C1(C)C 587828812 PYMZQHKMOZORJX-UDYRRMRCSA-N 380.301 4.343 0 1 GIAF COC(=O)CC[C@@]1(C(C)C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640590 RANPQRNXJXYBHQ-WIOPSUGQSA-N 392.543 4.238 0 1 GIAF CC(C)c1nn(C)c2c1[C@@H](c1ccc(-c3cc(C(=O)O)ccc3Cl)o1)NCC2 962918208 NOYXRCIMFOZKTR-HXUWFJFHSA-N 399.878 4.390 0 1 GIAF C[C@H]1CCCN(CCCOc2cccc([C@@H]3NCCc4ccc(O)cc43)c2)C1 963329401 NTSLVKLXHJJTDD-UUOWRZLLSA-N 380.532 4.128 0 1 GIAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(C(=O)c2cc(-c3ccco3)on2)C1 1772642035 OJJOZVPZMYOMCU-ZDUSSCGKSA-N 399.834 4.079 0 1 GIAF CO[C@H]1[C@@H](Cc2ccc(C[C@@H]3C=C(C)[C@H](O)C[C@H]3C(C)(C)O)cc2)C=C[C@H]1C 2356370186 MQWKANHJNPOKSF-SAMUPGQXSA-N 384.560 4.323 0 1 GIAF COC(=O)C1=C(C)N(Cc2ccccc2)C(=S)N[C@@H]1c1ccc(Cl)cc1 95598742 KQZJVKCLCWATPN-GOSISDBHSA-N 386.904 4.218 0 3 GIAF COc1cccc(Sc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)c1 3815913 BDWGIUYERCLROD-UHFFFAOYSA-N 375.453 4.489 0 1 GIAF CO[C@@H](C)C(=O)N(c1ccccc1F)[C@H]1CCN(CCc2ccccc2)C[C@@H]1C 26735433 FRLCLTFQCIWDIX-IPJJNNNSSA-N 398.522 4.147 0 1 GIAF CN1CCN([C@H]2Cc3ccccc3Sc3ccc(-c4cnn(C)c4)cc32)CC1 64540600 MKRIRFBTLSNVCR-NRFANRHFSA-N 390.556 4.083 0 1 GIAF COC(=O)C(C)(C)CCCOc1ccccc1OCCCC(C)(C)C(=O)OC 25974514 KOHRZJFBAWJZLC-UHFFFAOYSA-N 394.508 4.403 0 1 GIAF COc1cc(OC)c([C@@H]2COc3c(ccc4c3CCC(C)(C)O4)C2=O)cc1OC 2356708696 YWJBVFLXWBJTKS-INIZCTEOSA-N 398.455 4.175 0 1 GIAF COc1ccc([C@H]2CC(=O)N(C)[C@H]2[C@H](O)c2ccc(-c3ccccc3)s2)cc1 36176599 MDQQUBAQMRNVER-SXSPYAJSSA-N 393.508 4.472 0 1 GIAF NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)c(Br)c1 34984913 DGVSNHBDOQDWOS-UHFFFAOYSA-N 383.245 4.011 0 1 GIAF CCCN(CCC)CCOc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1 40973595 HMVMJQBTONNRKO-UHFFFAOYSA-N 397.471 4.372 0 1 GIAF C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3ccc(F)c(F)c3)(C1)C2 1911581317 QXQPETGZKGQABI-BQXHSLBWSA-N 388.389 4.031 0 1 GIAF CCOc1cc(CN2CCC(Nc3nc4cccnc4s3)CC2)ccc1OC 49033367 SUTRIXISORYJFX-UHFFFAOYSA-N 398.532 4.175 0 1 GIAF Cc1cc(F)cc(-c2[nH]c(CNc3ccccc3)nc2-c2ccc3ncnn3c2)n1 473154399 HBEFMXWZXIZOKI-UHFFFAOYSA-N 399.433 4.241 0 1 GIAF COc1cc(-c2nn(C)nc2-c2cc3ccccc3s2)cc(OC)c1OC 653764366 PRHJOOURPYYDPA-UHFFFAOYSA-N 381.457 4.390 0 1 GIAF COc1c(F)ccc(F)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587720515 NDTONWGGBFZEQZ-PWJLMRLQSA-N 386.211 4.499 0 1 GIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 587041035 UHOBOHPUFLOGRY-JTQLQIEISA-N 389.399 4.444 0 1 GIAF CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518161 CFSMAHCHCPFWRW-YWBKXGLFSA-N 383.488 4.441 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CCC[C@H](C1)N3C(=O)OC(C)(C)C)O2 587397524 BPMMZRRXEPXOID-RTYJCRPCSA-N 386.492 4.233 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(N)cc(F)cc2F)N1 587717697 GMJZNYDXQVOQKO-CQLKUDPESA-N 385.227 4.246 0 1 GIAF CCOc1ccc(OCC)n1-c1c(Br)cccc1-c1cnn(C)c1 587934167 BRZGFXBKTXUQND-UHFFFAOYSA-N 390.281 4.438 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2c1 587135790 DZTMUFCWTVNSHE-UHFFFAOYSA-N 385.439 4.234 0 1 GIAF Cc1nccc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc12 587028207 WQNCKTIJDJYLQR-JQHSSLGASA-N 380.517 4.403 0 1 GIAF COCC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572017 QHIRNQFVPUHVIZ-NFBKMPQASA-N 394.398 4.425 0 1 GIAF CC1(C)[C@H]2CC[C@@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O 587604665 VEASUAYMNPSCQR-OFYVRZMWSA-N 378.424 4.118 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1C[C@@H]1c1ccccc1 587868904 WSUOICUQEMZZAP-HUUCEWRRSA-N 387.361 4.416 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](CCc1cccc(C3OCCO3)c1)CC2=O 587493763 VSBUCLQFFJRQFP-QGZVFWFLSA-N 382.456 4.357 0 1 GIAF CCc1oc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)OC 587617462 PSZULJHKIFZURE-NQIIRXRSSA-N 394.379 4.037 0 1 GIAF CCOC(=O)C[C@]1(c2ccc(F)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587380554 AUUQOBXQRKPCTH-FQEVSTJZSA-N 391.826 4.184 0 1 GIAF COc1ccc(-c2c(CN3CCOCC3)sc3nc4ccccc4n23)cc1 13219696 IWIBYZHTKNJIIU-UHFFFAOYSA-N 379.485 4.057 0 1 GIAF Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1F 13762130 PXEGKPOTAKEEBZ-UHFFFAOYSA-N 398.381 4.409 0 1 GIAF COC(=O)[C@H](C)NC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 169349048 SOGZRMRETSXHFX-WMTHZFDFSA-N 385.548 4.498 0 1 GIAF COc1c2ccccc2nn1-c1ccc(-c2cn(Cc3ccccc3)nn2)cc1 206038832 BKKRVFPEFRBGBW-UHFFFAOYSA-N 381.439 4.341 0 3 GIAF O=C(Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1)N1Cc2ccccc2C1 167074690 XEVYPKJQULPYKP-UHFFFAOYSA-N 382.423 4.138 0 1 GIAF Cc1ccc2nc(N3CCC(NCC(C)C)CC3)c(-c3nc(C)no3)cc2c1 1857583448 GIXQPNRFKDSHSF-UHFFFAOYSA-N 379.508 4.116 0 1 GIAF O=C(CCCN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(F)cc1F 28647146 WWHHTJIYLODCQO-UHFFFAOYSA-N 393.865 4.159 0 1 GIAF O=C(c1c[nH]c2ccccc12)N1CCc2c(cnn2-c2ccccc2Cl)C1 28708542 BTNONRCOLZMDGE-UHFFFAOYSA-N 376.847 4.206 0 1 GIAF COc1ccc(CSc2nnc(NC(=O)c3ccc(F)cc3)s2)cc1 29128064 VODJFDOZEPTOQI-UHFFFAOYSA-N 375.450 4.230 0 1 GIAF COc1ccc(C[C@H](N)c2csc(Nc3nncc4ccccc34)n2)cc1 61902591 CYLZGALWTFPKRS-KRWDZBQOSA-N 377.473 4.081 0 3 GIAF O=C(Cc1ccccc1F)Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1 117404954 KBVXEKXREZLSND-UHFFFAOYSA-N 392.365 4.258 0 1 GIAF CC(=O)N1CC(COc2ccc(-c3cc4c(C(=O)O)c[nH]c4cc3Cl)cc2)C1 216006439 GGOYJSHJZXOTQB-UHFFFAOYSA-N 398.846 4.044 0 1 GIAF O=C(Nc1ccc2c(c1)CCC2)c1cccc(N2CCN(c3ccncc3)CC2)c1 45230742 MWWPVFFPLVEPIE-UHFFFAOYSA-N 398.510 4.149 0 1 GIAF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1cccc(Cl)c1Cl 40938768 HPKGWZYMSFEGFO-UHFFFAOYSA-N 395.267 4.003 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)CCC[C@]4(C)[C@@H]3CC[C@]12C 40684746 ARCONGNMKCTCRP-PLYZVZFYSA-N 388.596 4.382 0 1 GIAF CCOC(=O)NCCN[C@@H](CC(C)C)C1(c2ccc(OCC)cc2)CCC1 199947660 BKVALIDOPGIDPZ-FQEVSTJZSA-N 376.541 4.257 0 1 GIAF FC(F)CNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 146440280 ADBVBMHOZGCOGZ-UHFFFAOYSA-N 388.487 4.429 0 1 GIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccnc(C(F)(F)F)c3)C2)cc1 96172947 BWHHLRXRWURWIM-CYBMUJFWSA-N 378.394 4.451 0 1 GIAF Cc1cc(-c2nccnc2O[C@@H]2CCN(c3ccc4ccccc4n3)C2)ccn1 96168810 UOCDJJBELZGEDH-LJQANCHMSA-N 383.455 4.053 0 1 GIAF COC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccccc1Br 95571189 LIWDTAJOZZTBGK-UHFFFAOYSA-N 399.244 4.044 0 3 GIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(F)ccc1N)[C@@H](C2)C3=O 587426204 ALUGTWGRMVAUJN-MBSDFSHPSA-N 375.399 4.108 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cccn3)cc2)N1 587760654 PKVUOKCLDBADNP-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF CCCCCOc1cc2nc(-c3c[nH]ccc3=N)[nH]c2cc1Br 587249489 MXWCGAHIIXSHJE-UHFFFAOYSA-N 375.270 4.369 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Br)=COc2ccc(F)cc21 587383672 DLGYGFYOFAQMBO-SFHVURJKSA-N 390.208 4.206 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3nc2O)N1 587779790 WAGXZSTYFCJJCD-YPMLDQLKSA-N 387.252 4.466 0 1 GIAF COC(=O)c1cc(F)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587571431 OFWZBHGGTZJBNI-GHTZIAJQSA-N 394.354 4.021 0 1 GIAF CCC(=O)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601294 RWEAEYBMECDDFL-NZQKXSOJSA-N 390.391 4.411 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)c3ccc(C)cc3)CC1)CC2=O 587482453 ZVZSURDDZZUWQV-UHFFFAOYSA-N 393.483 4.293 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H]1CC[C@]2(C)C1(C)C 587818112 PYMZQHKMOZORJX-LLRCKHJESA-N 380.301 4.343 0 1 GIAF CCn1cc([C@@]2(CC)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587757588 OWNFTTTUCKNPTR-ZMZPIMSZSA-N 380.305 4.301 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(OC)ncc3[nH]2)c1 587147151 IQCVCULYSQCUTP-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF CCn1cc(Cl)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587555022 ZBWLFZBCRZZFCT-OXQOHEQNSA-N 384.819 4.139 0 1 GIAF COc1cc2c3c(c1)O[C@@](CC(C)(C)CC(=O)O)(c1ccccc1)[C@@H](C2)C3=O 587446954 IWHVPIPAXSHOAB-SBUREZEXSA-N 380.440 4.229 0 1 GIAF N[C@@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Br)cc1F 587142745 MWBPFFOPCJWQSC-LBPRGKRZSA-N 386.627 4.500 0 1 GIAF CC(C)Oc1ncccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587768937 FDQYJADHOYCEEV-DIFFPNOSSA-N 379.273 4.394 0 1 GIAF FC(F)(F)COc1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)ccn1 587092590 WSVXGNKPMIKFHF-UHFFFAOYSA-N 377.244 4.465 0 1 GIAF Clc1c(-c2nc3ccc(Br)nc3[nH]2)ccnc1Br 587005861 WTNJAFZRIDRTDS-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF CC[C@]1(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)CC(=O)c2ccccc2C1 587959538 GOPFSNOSMGBJQV-XMMPIXPASA-N 391.515 4.271 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2([C@H]3C[C@H]4C[C@@H]2C[C@@](O)(C4)C3)[C@@H]1c1ccc(F)cc1 587356355 PBHVDUXDFNSTDL-QDHVAOEBSA-N 394.442 4.200 0 1 GIAF N[C@@H](CNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1)C(=O)O 1772639807 FHIOWMHWEJSEAR-FQEVSTJZSA-N 376.481 4.223 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc2ccccc2n1 167569831 VMIVJKGTYBXEHQ-KXBFYZLASA-N 376.456 4.362 0 1 GIAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1CCc2ccccc2O1 201102970 XQLQWECSVFMJAS-RQTOMXEWSA-N 391.511 4.227 0 1 GIAF CCc1nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2n1C 205198462 UDLQRAVGQUJISV-UHFFFAOYSA-N 377.419 4.005 0 1 GIAF Cc1nc(NC2CCCCC2)c2nc(-c3ccccc3)n(CCCN(C)C)c2n1 7991799 MZTDJPHGYJKXKZ-UHFFFAOYSA-N 392.551 4.498 0 1 GIAF COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1C1=CC(C)(C)OC1=O 13371264 NVGQZFJWDWMWMT-UHFFFAOYSA-N 392.407 4.196 0 1 GIAF biogenic CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cccc(F)c2)cc1 27093867 KQMXDUCXLDCXQL-UHFFFAOYSA-N 384.354 4.305 0 1 GIAF c1nc(CC2CCN(CCCOc3ccc(CN4CCCCC4)cc3)CC2)c[nH]1 28570720 AVPZIXKJIIIBCX-UHFFFAOYSA-N 396.579 4.119 0 1 GIAF CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1ncc(C(C)C)s1 28827415 VLJBYLPIUUYIMX-HNNXBMFYSA-N 395.475 4.011 0 1 GIAF CCCN[P@@](=O)(OC)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 40395740 CNEWOAMXZLQZFA-DWXRJYCRSA-N 376.393 4.451 0 1 GIAF Cc1cc(C)c(-c2nnc(NC(=O)c3cccc4c3OCCO4)s2)c(C)c1 43022773 XHPPODJXHQJPEZ-UHFFFAOYSA-N 381.457 4.154 0 1 GIAF Cc1cc(C)c(-c2nnc(NC(=O)c3ccc4c(c3)OCCO4)s2)c(C)c1 43120947 BXLHNELWHZXRDU-UHFFFAOYSA-N 381.457 4.154 0 1 GIAF CCCCC(=O)N(CCOC)Cc1ccc(-c2ccc(CNCCC)cn2)cc1 45169023 KUDQWIUJOXBXBQ-UHFFFAOYSA-N 397.563 4.413 0 1 GIAF COc1ccc(-c2cc(NCc3ccc(F)c(F)c3)ncn2)c(OC)c1OC 82160460 XZYWEZSYXCHCKC-UHFFFAOYSA-N 387.386 4.060 0 1 GIAF CC(C)(C)c1cc(I)c2c(c1)CN[C@@]1(O2)C2C[C@H]3C1[C@@H]3C2 100949306 PWTLQRKEHUPYSI-MVVCTCLLSA-N 395.284 4.053 0 1 GIAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc([C@@H](C)OC)cc3)oc2c1 139565003 ZLCPMONEIUVXQG-ZIAGYGMSSA-N 377.444 4.452 0 1 GIAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCC(=O)N2c2ccc(C(F)(F)F)cc2)on1 147455175 GQCPYMUOLFAADB-ZDUSSCGKSA-N 395.381 4.125 0 1 GIAF COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 299813874 VVOONWVRIYRRAY-OEZAJCMWSA-N 380.415 4.264 0 1 GIAF CC(C)Oc1cc2nc(C(C)(C)SCC(=O)O)[nH]c2cc1Br 586959734 PRWIOHRWDCTSRU-UHFFFAOYSA-N 387.299 4.166 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(C)nc3[nH]2)c1 587050205 WFCQIZWADYXYPO-UHFFFAOYSA-N 399.882 4.230 0 1 GIAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1 587084692 RCEPREODPNYLPH-UHFFFAOYSA-N 399.303 4.010 0 1 GIAF Cc1nccc2[nH]c(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)nc12 587113378 INXJGOBGWZZROO-UHFFFAOYSA-N 380.395 4.157 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1cnn3-c1ccc(F)cc1)O2 587385052 QYMZEIVULDIEGR-JOCHJYFZSA-N 377.419 4.099 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc4cnn(C(C)C)c4nc1Cl)[C@@H](C2)C3=O 587419654 HNBFOQDQNVWDCV-SCLBCKFNSA-N 383.835 4.163 0 1 GIAF COc1c(F)ccc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557322 MSHYWYQYNWFQJB-UWJYYQICSA-N 384.334 4.382 0 1 GIAF CCOc1cc(O)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599238 WPUUUFXFUXXYSB-SIKLNZKXSA-N 378.380 4.199 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3nc(Cl)ccc32)N1 587701073 AEADFXLCACZHSL-XLFHBGCDSA-N 396.691 4.230 0 1 GIAF CCn1cc([C@]2(CC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587754091 CQNUURILRSGBKK-VOJFVSQTSA-N 380.305 4.301 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccncn2)N1 587778418 NAYDNWOYPWWVDO-RNODOKPDSA-N 398.279 4.204 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(CC(=O)O)cs2)N1 587847337 KMQMAVCPTKFWCB-HUTHGQBESA-N 398.297 4.075 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)n1cccn1 587860572 XKABOEMHEHNTCK-LLVKDONJSA-N 379.247 4.354 0 1 GIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccnc(Br)c2[nH]1 587927748 UCFMQAQEISAFCS-LLVKDONJSA-N 376.254 4.280 0 1 GIAF Cc1cnc(CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cn1 1772590145 UGQPKUMAPKABSL-UHFFFAOYSA-N 384.447 4.069 0 1 GIAF CCN(CC)CCCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1OC 1772641756 UGKCNXGIXLLJBN-UHFFFAOYSA-N 397.471 4.285 0 1 GIAF CC(=O)OC[C@H](CCO)CC[C@]1(C)[C@H](C)CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]21 2356448043 NHICXBFHDXVLOW-PHVOPVQRSA-N 380.525 4.192 0 1 GIAF CC(=O)O[C@@H]1[C@@H]2c3oc(-c4ccccc4)cc(=O)c3-c3ccoc3[C@@H]2OC1(C)C 2356455914 LRKIXOZDMXDDBU-STZQEDGTSA-N 392.407 4.446 0 1 GIAF O=C1[C@H]2C[C@@H](CN2Cc2ccc(Cl)cc2)Oc2ccccc2N1CC1CC1 2356618724 FAYOTAHGKADZLY-AZUAARDMSA-N 382.891 4.119 0 1 GIAF CC1=CC[C@@H]2[C@H](C=C[C@@H]3[C@H](C)C=CC=C[C@H](C)OC(=O)C[C@H](O)CC(=O)[C@@H]32)C1 2356805840 ZYCLTPPGAOTOGR-YTIXMYJJSA-N 384.516 4.165 0 1 GIAF C[C@]1(C(=O)Nc2cccc3c2CCCC3)CCN1C(=O)Cc1ccccc1Cl 61906966 IFGGJHIZBQLWCS-HSZRJFAPSA-N 396.918 4.391 0 3 GIAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N1CCOCC1 4216487 XOEYQTIHDBGUJN-MOPGFXCFSA-N 396.890 4.352 0 1 GIAF O=C(c1ccn(S(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1Cl 6581609 NPJRWPZPUNOYPJ-UHFFFAOYSA-N 380.252 4.263 0 1 GIAF COC(=O)C[C@@H]1c2ccccc2[C@H](Cc2ccc(OC)cc2)[C@@H](C)N1C(=O)OC 13817740 LPMQDEGGQDLASL-IPHXSNPTSA-N 397.471 4.096 0 1 GIAF CCCn1c(=O)c2[nH]c([C@H](c3ccccc3)C3CCCC3)nc2n(CCC)c1=O 13861095 OKHQKQUILBVGOL-GOSISDBHSA-N 394.519 4.028 0 1 GIAF COc1cccc(OCCCCCOc2ccc3c(=O)cc(C(=O)O)oc3c2)c1 39213222 HGEDAMWZUWJZQL-UHFFFAOYSA-N 398.411 4.128 0 1 GIAF CC1=C(c2ccc(OCCCN3CCCC3)cc2)Oc2ccccc2S1(=O)=O 43012565 KIJIJUXKXSTTLC-UHFFFAOYSA-N 399.512 4.106 0 1 GIAF COc1cc(-c2ccc3nnc(-c4ccccc4C)n3c2)cc(OC)c1OC 82082781 MOTOKATYLXHURH-UHFFFAOYSA-N 375.428 4.398 0 1 GIAF O=C(Nc1ccc(-c2ccccc2)cc1)C1=C(O)[C@@H](Cc2ccccc2)OC1=O 101158760 WDOCLCVTCSESMZ-HXUWFJFHSA-N 385.419 4.272 0 1 GIAF O=C1C2=C(CCCC2)S(=O)(=O)N1c1cc(OC2CCCC2)c(Cl)cc1F 103176750 OUEYKILQBVVORR-UHFFFAOYSA-N 399.871 4.305 0 1 GIAF Nc1cnc(Oc2ccc3c(c2)CN2CCC3(c3ccc(Cl)cc3)CC2)cn1 114349453 LGOLCLAISOMHIH-UHFFFAOYSA-N 392.890 4.400 0 1 GIAF C[C@H](NCCCN)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 141871673 QMTCISZTKGKKTL-NLGFINLOSA-N 376.629 4.333 0 1 GIAF Cn1cc(-c2cc(C(C)(C)O)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144902131 RKMUQPZISDQQEA-FQEVSTJZSA-N 388.389 4.093 0 1 GIAF O=C(c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccc(O)c(F)c1 169307924 YAGKLUXZJIKLEX-UHFFFAOYSA-N 390.458 4.085 0 1 GIAF CCOc1ccc2cc(-c3nn(C4CCCCCC4)c(N)c3C(N)=O)ccc2n1 221714906 ZJDQCUMJDLLUFT-UHFFFAOYSA-N 393.491 4.073 0 1 GIAF COC(=O)C1=Cc2[nH]c3ccccc3c2C(C(=O)OC)=Cc2c1[nH]c1ccccc21 238789873 XEZCXLAYLRMRPC-UHFFFAOYSA-N 398.418 4.390 0 1 GIAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)[C@@H](O)C[C@@H](C)[C@@]2(C)COc1ccc2ccc(=O)oc2c1 257636610 XYUJBOZUFFMPGO-MOZVNMDVSA-N 398.499 4.200 0 1 GIAF endogenous,in-man O=S(=O)(c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1)C(F)(F)F 586884038 NMFZLHJPXOBTDQ-NDBFUVGKSA-N 384.423 4.324 0 1 GIAF Clc1cc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2cn1 586965928 WNIPSUIHHDCCNT-UHFFFAOYSA-N 396.907 4.421 0 1 GIAF NS(=O)(=O)c1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587062199 FPXFBGJUQMBTNF-UHFFFAOYSA-N 397.887 4.122 0 1 GIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Br)ncc2[nH]1 587109114 SIXRIJIPPHAIEF-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF COc1nccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c12 587138653 PEFYZICUPMUQGB-UHFFFAOYSA-N 381.338 4.277 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)nc3ccccc3c1C(=O)O)O2 587395885 VQBPLXJYJLINKT-QFIPXVFZSA-N 376.412 4.013 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(C)cc41)[C@@H](C2)C3=O 587447187 MXKUDAHXIYRHFC-CPJSRVTESA-N 382.415 4.239 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3ccc(F)cc32)N1 587736524 WEYUVDFUEQATSX-MGNBDDOMSA-N 379.248 4.321 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](c3cnn(C)c3)C2(C)C)N1 587756757 FHZYFLYSXPRXNO-WQBCIRTESA-N 392.316 4.265 0 1 GIAF Cc1nc2ccccc2nc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587776126 BDMPETYXCLNHQU-OVWNDWIMSA-N 386.268 4.463 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2scc3c2OCCO3)N1 587849533 ALZYWEPXINYJHC-RMLUDKJBSA-N 384.270 4.045 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(=O)n(C)c2ccccc12 587864405 ZUKMOOINHGOUHL-UHFFFAOYSA-N 399.372 4.419 0 1 GIAF COC(=O)c1cc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2c(F)c1Nc1ccccc1 587963833 UINZOVMPDLYLOO-OLZOCXBDSA-N 395.434 4.390 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(c1ccc(Br)nc1)N(C)[C@@H](C)C2 962564200 GQILASCWKPCYAJ-BUXKBTBVSA-N 391.309 4.001 0 1 GIAF COC(=O)C1=C[C@]2(NCCc3cc(-c4ccccc4)ccc32)c2ccccc2O1 962661388 JKOHRUBCHGCEOW-RUZDIDTESA-N 383.447 4.192 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@@H](c2cc(F)c(Cl)nc2Cl)N1)C(F)(F)F 962730158 LZYMADUDLOVHRU-RYUDHWBXSA-N 393.167 4.263 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@]21CC(C)(C)CC(=O)[C@H]1CCC(C)=O 963258560 OEPUDRXCIDUJHZ-VFNWGFHPSA-N 377.912 4.064 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]21CCC[C@@H](NC(=O)OC(C)(C)C)C1 963268983 CPLSKAVPSXNBBE-ZUOKHONESA-N 380.916 4.157 0 1 GIAF Cc1c(Cl)c(=O)oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc12 1772644812 XKGWJOHRJTYHPL-UHFFFAOYSA-N 385.224 4.176 0 1 GIAF O=C(CN1CCCCC1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 1857745630 VTTFSIDSLJPNAS-UHFFFAOYSA-N 395.894 4.451 0 1 GIAF CC(C)=CC[C@@H]1Cc2cc3c(cc2C[C@@H]1O)OC[C@@H]1c2ccc(O)cc2O[C@H]31 2356587055 WWSJZUZKQALFSA-QGVJFDGQSA-N 378.468 4.434 0 1 GIAF CC=C(C)[C@H](O)[C@@H](C)C=C(C)C=CCC(C)=CCC(=O)N[C@@H](C)CC(=O)O 2356792233 JMBXBCXKUSIETJ-IPJJNNNSSA-N 377.525 4.158 0 1 GIAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccc(F)cc3F)C(=O)N21 12480160 ZEOYXGWHTZKZQP-QGZVFWFLSA-N 381.382 4.075 0 3 GIAF Cc1cc(F)ccc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)[nH]n1 61908391 SROYWKBUPLTEFQ-UHFFFAOYSA-N 377.341 4.473 0 3 GIAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H]1CCCC[C@@H]1O 775486 RLXLABMXFXLVQQ-CVEARBPZSA-N 386.492 4.071 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCN(CC)CC 4213533 XKGDQYSIXZJRGE-OALUTQOASA-N 379.570 4.220 0 1 GIAF CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)c2cc(Cl)cc(Cl)c2N)C1 5516961 FULXVPIUTXANTP-CWTRNNRKSA-N 399.318 4.160 0 1 GIAF CC(C)c1ccc2c3c(c(=O)oc2c1)CN(CCN1CC2CCC(CC2)C1)CC3 27746331 XIQYIVLYHCLSEL-UHFFFAOYSA-N 394.559 4.397 0 1 GIAF C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 28820563 XLEUFSHNHMJSFP-NSHDSACASA-N 383.300 4.384 0 1 GIAF COc1cc(NCCCCCCN2C[C@@H](C)N[C@H](C)C2)c2nccc(C)c2c1 29567869 WPPLOZHBWCFVOJ-RTBURBONSA-N 384.568 4.206 0 1 GIAF FC(F)(F)COc1ccc([C@H]2C[C@H]2c2nnc3c4ccccc4cnn23)cc1 49113007 DWGMSHVRETUTKL-IAGOWNOFSA-N 384.361 4.490 0 1 GIAF CCNC(=O)CCc1nc(-c2nc(C)cs2)c(-c2ccc3ncsc3c2)[nH]1 95558517 ILRPLHHBDXVJAS-UHFFFAOYSA-N 397.529 4.187 0 1 GIAF CN(C)c1ccc(C(=O)c2cc3cc([125I])ccc3o2)cc1 101618291 YCVMWUQCHHXKNN-HGTLKWEASA-N 389.209 4.334 0 1 GIAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@]21CCSC(N)=N1 201219239 HRBGGHAOAFKAEC-IUPXNIOVSA-N 395.366 4.228 0 1 GIAF Cc1nc(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C)c(Cl)[nH]1 219021389 FIEIZOYCHLESCM-UHFFFAOYSA-N 390.874 4.458 0 1 GIAF COC(=O)c1ccc(-c2ccc(-c3ccc(O)cc3)c(OC)c2OC)cc1O 299851960 LDNRWVMFEOFNHO-UHFFFAOYSA-N 380.396 4.236 0 1 GIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@H]3C=C12 504278127 DUGACSPHBUDFSB-NTNMUZRVSA-N 398.591 4.171 0 1 GIAF biogenic COc1ccc(-c2nnc(-c3ccc4[nH]c(-c5ccc(CO)cc5)nc4c3)o2)cc1 586895631 QMRYFSAITFGWQS-UHFFFAOYSA-N 398.422 4.448 0 1 GIAF Fc1cnc2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 586986039 UWCVNGWQKLEHAW-OAHLLOKOSA-N 375.245 4.045 0 1 GIAF O=C1c2ccccc2-c2cc(CC(=O)N3CCCCCC3)nc3ccc(O)c1c23 586987504 BVWXHAWROCFDBH-UHFFFAOYSA-N 386.451 4.097 0 1 GIAF O=C1C[C@@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)CN1Cc1ccc(F)cc1F 587147884 CJZWNQHDCCBJPT-SECBINFHSA-N 397.759 4.289 0 1 GIAF O=C(O)Cc1c(-c2cc(Br)ccc2O)nc2cccc3c2c1CC3 587208009 JUFDEBRTLXKUJL-UHFFFAOYSA-N 384.229 4.096 0 1 GIAF CC(=O)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354175 NJHHCOSYWPKBLO-JTHBVZDNSA-N 376.383 4.375 0 1 GIAF CCCOc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587401362 WHAKOQFUNHUBJO-QFIPXVFZSA-N 383.444 4.092 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1cccc(C=O)c1)(C1CCOCC1)CC2=O 587486437 LAYFFVTWOMSREZ-DEOSSOPVSA-N 394.467 4.445 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(Br)c1 587539949 GLZOEEYACUJSOP-VQIMIIECSA-N 398.212 4.253 0 1 GIAF C[C@]1(c2ccc3nc(O)oc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585902 IHDRFVAUPUVMQF-XMSQKQJNSA-N 389.363 4.116 0 1 GIAF CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587597230 QDVMWCNAVBYPCQ-DENIHFKCSA-N 378.380 4.199 0 1 GIAF COc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587700047 UHYCZVZWEJZXFM-AYVTZFPOSA-N 385.664 4.269 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccccc3OC2)N1 587836418 UMTBNAOUCUJZDK-BUXKBTBVSA-N 376.269 4.343 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(C(F)(F)F)nn1 587860884 IAUOIEMBQUGKQS-UHFFFAOYSA-N 388.271 4.376 0 1 GIAF C[C@]1(Cc2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962638715 NLJHTFRZSNUQDB-FUHWJXTLSA-N 399.796 4.295 0 1 GIAF C[C@]1(c2cc(CN3CCOCC3)cs2)c2c(F)cccc2C[C@H]2CCCN21 963099703 IOUDAZPUYVREOP-GCJKJVERSA-N 386.536 4.003 0 1 GIAF COC(=O)[C@@]1(C)[C@H]2CC(=O)c3cc4[nH]c5ccccc5c4cc3[C@]2(C)CC[C@H]1O 2356447270 YSJQFTPGPPBWEH-DVKRWUGUSA-N 391.467 4.115 0 1 GIAF O=C1Cc2c(ccc3c(CCC4CCN(Cc5ccccc5)CC4)noc23)N1 580309 OICRNZHKHYSUOP-UHFFFAOYSA-N 375.472 4.167 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N1CCOCC1 4216491 XOEYQTIHDBGUJN-RBUKOAKNSA-N 396.890 4.352 0 1 GIAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NC[C@H](O)CC 4310526 QAJHKACOFFCVDL-UPRAQXHNSA-N 398.906 4.380 0 1 GIAF C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 6482805 HZADOWFVVLRJEB-QWMSGDHLSA-N 378.468 4.163 0 1 GIAF CCCCCCOc1ccc(OCC(=O)COc2ccc(C(=O)O)cc2)cc1 13472819 MVCOTFLYSAISBA-UHFFFAOYSA-N 386.444 4.371 0 1 GIAF C[C@H]1CC(=O)c2c(n(-c3ccc(C(N)=O)c(NCC4CC4)c3)c3ccccc23)C1 29047734 FAPYIUJWKBVRBR-CQSZACIVSA-N 387.483 4.316 0 1 GIAF O=C(Nc1ncco1)c1c(C(F)(F)F)nc2c(C(F)(F)F)cccc2c1O 29249050 DUVGMSIEPUANGI-UHFFFAOYSA-N 391.227 4.218 0 1 GIAF CN(Cc1ccccc1)C(=O)N1CCc2c(nc(C(C)(C)C)n2CC2CC2)C1 43122083 PDWQZUFCRNMPHC-UHFFFAOYSA-N 380.536 4.201 0 1 GIAF O=C(Nc1ccc(Br)cc1)C(Cl)(C(F)(F)F)C(F)(F)F 68574177 AQCIVCIKSUQDDO-UHFFFAOYSA-N 384.501 4.490 0 1 GIAF biogenic COc1cc(Cc2n[nH]nc2-c2ccc(Cl)cc2Cl)cc(OC)c1OC 84652718 YXCPIWRSRMTSIR-UHFFFAOYSA-N 394.258 4.395 0 1 GIAF CC(C)CCn1c2c(cc(C(=O)NCc3ccccc3)c1=O)CCCCCC2 96929211 YAOJEHCXNSTNAD-UHFFFAOYSA-N 380.532 4.483 0 1 GIAF CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCCC4)n(C(C)C)c3)c12 114771838 RVSIJMWEOSAEIN-UHFFFAOYSA-N 395.507 4.421 0 1 GIAF C[C@H]([C@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1)N(C)C 137058932 PJNAJZSNGGHTRM-AUUYWEPGSA-N 378.505 4.171 0 1 GIAF CCOC(=O)[C@H](c1nc2ccccc2[nH]1)n1c(-c2cccnc2)nc2ccccc21 169693933 DXXLUGXPPMKKRV-FQEVSTJZSA-N 397.438 4.127 0 1 GIAF COC(=O)c1ccccc1NC(=O)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 299845545 BUGLXIOTHISLCJ-WOVMCDHWSA-N 386.423 4.124 0 1 GIAF CN(C)C(=O)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 586980294 NSGNRQLWQYCAEC-UHFFFAOYSA-N 378.657 4.348 0 1 GIAF O=C1c2ccccc2-c2cc(Cn3nc(Cl)nc3Cl)nc3ccc(O)c1c23 586986365 LMSFXVJWCLENAA-UHFFFAOYSA-N 397.221 4.098 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)c4ccsc4)[nH]c3c2)cc1 587025020 IGEMGJAXRANWLZ-SFHVURJKSA-N 379.441 4.251 0 1 GIAF Cc1onc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)c1COc1ccccc1Cl 587062780 AIOLLCKXYUZZCG-GOSISDBHSA-N 397.822 4.482 0 1 GIAF O=C(Cc1ccc(Cl)cc1)c1nc2c(Cl)ncc(Br)c2[nH]1 587072023 OSGSNMDJNLBZND-UHFFFAOYSA-N 385.048 4.453 0 1 GIAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)c1 587160393 QLGRTQZGUSATGW-UHFFFAOYSA-N 386.390 4.020 0 1 GIAF Cc1nc2[nH]c(C[C@H](N)c3cccc4ccccc34)nc2cc1Br 587258731 JSLOQUJOWQEUBZ-INIZCTEOSA-N 381.277 4.425 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OC[C@@H]1CCCO1)O2 587375874 AEUPVSXQEDGACX-XOBRGWDASA-N 387.863 4.495 0 1 GIAF CCOC(=O)c1[nH]c2c(c1C)[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)CC(C)(C)C2 587396031 ISOSGOWUTNRJRL-HSZRJFAPSA-N 396.487 4.224 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3nc(-c4cccnc4)sc31)O2 587414889 PFWBEWVXYPKZII-OAQYLSRUSA-N 377.469 4.293 0 1 GIAF CCCc1nnc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)o1 587435299 DHGBOAJITTWHHI-IERDGZPVSA-N 376.412 4.186 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CCCC[C@H]1C(=O)O)[C@@H](C2)C3=O 587451858 RSUIHOXWCMOIAK-FLFXDLLNSA-N 392.451 4.229 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cccc(C(F)(F)F)c21 587464289 NNIYDMSMXOXVBY-LJQANCHMSA-N 391.345 4.176 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(I)o1)CC2=O 587467696 GKCOOODOIGVFAX-AWEZNQCLSA-N 398.196 4.249 0 1 GIAF O=C1C[C@@H](c2c[nH]c3ncc(Br)nc23)Oc2c1ccc1c2CCCC1 587497129 KNBNGPPPSFFFTC-HNNXBMFYSA-N 398.260 4.306 0 1 GIAF COc1cc(Br)cnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498040 NPMCOUMOQIQJOM-KRWDZBQOSA-N 388.261 4.438 0 1 GIAF O=C1C[C@H](c2c(O)ccc(O)c2Br)Oc2c1ccc1c2CCCC1 587505764 VLZTYPWUUTVNKS-MRXNPFEDSA-N 389.245 4.446 0 1 GIAF COc1cc(OC)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587521951 DKBZVFHWPHLQPT-HSZRJFAPSA-N 382.456 4.472 0 1 GIAF COc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587567123 DTQLVSGIAQXIID-XMSQKQJNSA-N 380.371 4.417 0 1 GIAF CC(C)n1ncc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582042 NHWSIPOCIWTIAR-NFBKMPQASA-N 390.439 4.363 0 1 GIAF COC(=O)C(=O)c1c(-c2ccc(OC)cc2F)[nH]c2c(C)cc(Cl)cc12 587623999 BGHPONCQRVFFSI-UHFFFAOYSA-N 375.783 4.300 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](c3nccn3C)C2)N1 587752415 DKOUYGBEFRXMOO-NQCMUKECSA-N 392.316 4.409 0 1 GIAF COCCn1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587753569 VQVQHGQBEWTVMC-WYRIXSBYSA-N 395.316 4.277 0 1 GIAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587809537 UFBUXZSUSUCLIJ-YPMLDQLKSA-N 380.257 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@H]2C1(C)C 587827951 MGADWBINPZIUPX-JPSJLJGKSA-N 380.301 4.343 0 1 GIAF COc1ccc(-c2nc3ncc(Cl)c(NCC4CCN(C)CC4)c3[nH]2)cc1 653781764 TUPNTIPXRHKAND-UHFFFAOYSA-N 385.899 4.041 0 1 GIAF CSc1ccc([C@]2([C@H]3CC[C@H](C(=O)O)CC3)NCCc3ccc(O)cc32)cc1 963329622 PTQCCUJRDSTDMI-QQMNAOGKSA-N 397.540 4.394 0 1 GIAF O=C(O)CCCCC[C@]1(c2cc(F)cc(F)c2)NCCc2ccc(O)cc21 963339792 CAZRGAVQPWEXEA-OAQYLSRUSA-N 375.415 4.095 0 1 GIAF CCCOc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3c(OC)ccc(OC)c31)O[C@@H](C)C2 963612705 TWGHPMGJAYGYOV-ISQRANHSSA-N 397.515 4.440 0 1 GIAF CC(=O)OC[C@@]1(C)[C@H]2CC=C(C)[C@H](CCC(C)=CC(=O)O)[C@@]2(C)CC[C@H]1O 2356682976 CBLDNPFHFIUPAK-XUJOWKJQSA-N 378.509 4.110 0 1 GIAF CCCCCCc1cc2cc(C(=O)NCc3ccccc3)c(N)oc-2cc1=O 5973168 BEQPDTLKVVQLRA-UHFFFAOYSA-N 378.472 4.380 0 3 GIAF CC(C)N(Cc1nccn1C)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1 12444830 ILXLEKWSAJKSKM-UHFFFAOYSA-N 388.471 4.203 0 3 GIAF COc1cc([C@H]2SCC(=O)N2c2cccc(Cl)c2)cc(OC)c1OC 6003732 GEDUCXOUSJWCQR-GOSISDBHSA-N 379.865 4.144 0 1 GIAF CCN(Cc1ccccc1)C(=O)c1ccc(C[S@](=O)c2ccc(OC)cc2)o1 9115709 WJDBWUNCJJTUBR-MUUNZHRXSA-N 397.496 4.258 0 1 GIAF O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccncc2)O1 29410085 VBBMZLUDKPUZEJ-RIVGAVQESA-N 394.254 4.047 0 1 GIAF C=C(C)Cc1c(O)nc(SCC(=O)c2ccc(Cl)cc2)nc1COC 102334312 IHTXTNONHCUCNB-UHFFFAOYSA-N 378.881 4.076 0 1 GIAF COc1ccc2nc(C[C@H]3CN(CC4CCCCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356708296 KPOZWSVWGXFOMS-MSOLQXFVSA-N 399.535 4.107 0 1 GIAF COC(=O)c1c[nH]c(C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1 40567192 WUMCPLMSNGZUBD-UHFFFAOYSA-N 393.830 4.084 0 1 GIAF CC[C@@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc(C)c1 82146411 QNMMJDYOVUPWIY-OKZBNKHCSA-N 380.536 4.463 0 1 GIAF Cc1nc(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c(C)cc2C)c(C)[nH]1 220782269 HTAWOIMMUSHYDD-UHFFFAOYSA-N 384.483 4.422 0 1 GIAF CN1CCN(c2ccc(-c3ccc(OCCCN4CCCCC4)cc3)cc2)CC1 96921546 DEFQVZRYCAWXNB-UHFFFAOYSA-N 393.575 4.360 0 1 GIAF CSCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 145701132 WZGCUXPLNLYXOR-UHFFFAOYSA-N 380.473 4.105 0 1 GIAF CC[C@@H](Oc1ccccc1)C(=O)c1c(CO)oc2cc(Br)cnc12 587274138 SYENXTYVFKMLAS-CYBMUJFWSA-N 390.233 4.123 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c(O)cc1O 587540484 AQLIWNAZDDZVDN-PXNSSMCTSA-N 384.771 4.160 0 1 GIAF FC(F)(F)c1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966935 MEEFJCAZSWGUGT-UHFFFAOYSA-N 377.351 4.319 0 1 GIAF CCOC(=O)[C@]1(C2CCCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797653 MRTJJZCMBWSCJQ-HXPMCKFVSA-N 398.316 4.461 0 1 GIAF Cc1cc2c(cc1[C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCCO2 587833997 JMWXGZBSAMLCEU-JEOXALJRSA-N 392.268 4.291 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1 587191354 UBGRJOPJBNNNGW-KRWDZBQOSA-N 381.432 4.217 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1cccnc1)(C(C)(C)c1cccnc1)[C@@H](C2)C3=O 587435346 DYNPKFBTXVJTON-YADARESESA-N 386.451 4.106 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4c(C)noc4C)c1)[C@@H](C2)C3=O 587436764 SRYJRSPVZYJEOI-MBSDFSHPSA-N 391.423 4.368 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c([C@](F)(Cl)C(F)(F)F)nc2c1 587090465 QUQWSNOXBMGZJY-SNVBAGLBSA-N 389.530 4.035 0 1 GIAF FC(F)(F)Oc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966689 JJCVLXUBGVVVKZ-UHFFFAOYSA-N 393.350 4.199 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(C2CC2)N1 587704736 JSGNJMBOOAPALC-VXJOIVPMSA-N 394.206 4.249 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(=O)Nc3ccccc32)N1 587794667 PFNQTZOPXZZDBH-WYRIXSBYSA-N 389.268 4.098 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CCO[C@H]1C21CCCC1 587839877 VKTWQURJVKAVSQ-XUGODWMZSA-N 380.301 4.297 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(F)cc(Br)c1)[C@@H](C2)C3=O 587427011 FXEDHVNACMEAQJ-KSSFIOAISA-N 377.209 4.260 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3ccc4nc(C)ccc4c3[nH]2)C(F)(F)F)n1 587094898 VVIKZDPXFFNRLS-KRWDZBQOSA-N 392.406 4.177 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(NC(=O)C(C)(C)C)cccc1OC)[C@@H](C2)C3=O 587433587 SKEXYYYZJRBQRN-LHSJRXKWSA-N 395.455 4.177 0 1 GIAF CC[C@H](NC(=O)C1CCCC1)[C@H](O)C1CCN(c2ccc(Cl)cc2)CC1 43207869 SYHYSBBZLJOCBL-VQTJNVASSA-N 378.944 4.002 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)cc2-n2cncn2)N1 962958197 PDJFIFIPGXBTET-VLIAUNLRSA-N 377.879 4.416 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H](O)CC[C@]23C)C1(C)C 1772599915 XATLHNQIRONEBQ-AIPFBEDTSA-N 392.580 4.319 0 1 GIAF CO[P@](=O)(c1ccccc1)N1CCCC(c2ccc(Br)cc2)=N1 13557131 AGSFJHZEIWPCIQ-HSZRJFAPSA-N 393.221 4.414 0 1 GIAF O=C(C[C@@H](C(=O)NC1CCCCC1)N1CCCCC1)c1cccc2c1CCCC2 169333844 VTLQZOSPDHVWFM-QHCPKHFHSA-N 396.575 4.442 0 1 GIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)c(Cl)c1 169359299 GBSHIUSLZXGHTO-OXPSBXFHSA-N 396.712 4.142 0 1 GIAF COc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2)c2sccc12 1857547396 IONAPTRJCJAAME-UHFFFAOYSA-N 390.468 4.138 0 1 GIAF CCc1ccc([C@@H]2c3[nH]c4ccc(C)cc4c(=O)c3CN2c2ncccn2)s1 1857754575 ACPPZCNRLYQGTF-HXUWFJFHSA-N 388.496 4.360 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2C(=O)CO)C1 2563125 AGKUVCXEPCJNMJ-UZBJCSTBSA-N 376.537 4.138 0 1 GIAF biogenic COc1ccc2c(c1)/C(=C\c1c(-c3ccccc3)nc3n1CCS3)C(=O)N2 5800882 JBLPDOGPZUCBDZ-FOWTUZBSSA-N 375.453 4.157 0 1 GIAF CCOC(=O)CC[C@]1(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CCCCC1=O 6040309 HBKXRCXWZIRPJP-WYADAEROSA-N 380.525 4.463 0 1 GIAF CNC(=O)[C@H](C)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 6202049 MRLFYPMAPNGUIL-NNHNJENNSA-N 380.488 4.062 0 1 GIAF COc1ccc(C(=O)NC2CCN(Cc3ccc4cc(F)ccc4c3)CC2)cc1 29123156 VWTJMAOQPMDKDB-UHFFFAOYSA-N 392.474 4.382 0 1 GIAF CCN1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2Cl)CC1 29128660 IKOHDVPRNAINBB-MOPGFXCFSA-N 383.923 4.224 0 1 GIAF COc1cc2c(c3oc(=O)c(-c4ccc5c(c4)OCO5)c(O)c13)C=CC(C)(C)O2 59778212 IPSRAWJCFVMJBQ-UHFFFAOYSA-N 394.379 4.087 0 1 GIAF biogenic ON(c1ccc(Br)cn1)[C@@H]1CCC=C[C@H]1OCc1ccccc1 73195729 BDCHWCRPWUOSCM-IAGOWNOFSA-N 375.266 4.344 0 1 GIAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc(F)cc3)n2)C1 82140729 BRTDFGJFIVMRTM-CALCHBBNSA-N 396.510 4.391 0 1 GIAF O=C1NC2=C(CNC/C2=C\c2ccccc2Cl)[C@@H](c2ccccc2Cl)N1 96270602 XMOQGWZLFBHATR-XWGMLZDCSA-N 386.282 4.288 0 1 GIAF CC(C)(C)c1cc(I)c2c(c1)CN[C@]1(O2)C2C[C@H]3C1[C@@H]3C2 100949309 PWTLQRKEHUPYSI-FMJGAVNSSA-N 395.284 4.053 0 1 GIAF O=C1CCCN1[C@H]1CC[C@H](C(=O)Nc2ccc(-c3cc(F)cc(F)c3)cn2)CC1 103254488 VJTLKAQSSWSCFX-DHFPXDALSA-N 399.441 4.147 0 1 GIAF CC(C)(C)n1c(-c2cccc(C(=O)O)c2)nc2cc(-c3cnc(N)nc3)ccc21 144123661 AYPSCJZWIYALOZ-UHFFFAOYSA-N 387.443 4.196 0 1 GIAF Cc1ccc([C@H]2C[C@@H]2COc2cc(Oc3ccc(C)nc3)n3nccc3n2)nc1 148572446 WRCXZERYYGHXNZ-AEFFLSMTSA-N 387.443 4.111 0 1 GIAF Oc1cccc([C@H](O)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 586889914 IHZDLACRNSDNIA-ZDUSSCGKSA-N 387.155 4.132 0 1 GIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3nccc(Br)c3[nH]2)s1 587023367 OOULBCVGKNWKSW-UHFFFAOYSA-N 396.270 4.191 0 1 GIAF CC(C)Oc1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587147925 DCPDZBWBBAAGGC-AWEZNQCLSA-N 385.414 4.144 0 1 GIAF COc1ccc(-c2nc3ccc(F)c(C)c3[nH]2)c(I)c1 587180363 PFKHKRWKNPJJAK-UHFFFAOYSA-N 382.176 4.291 0 1 GIAF CN1[C@H]2CCC[C@H]1CC1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332484 AKTCPWCQYHHEAG-XGHQBKJUSA-N 381.447 4.276 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)([C@H](C)c1ccccc1)CC2=O 587483151 VLVXAKZZUFIKAA-IQMFZBJNSA-N 382.456 4.416 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1Cc1ccccn1 587578121 QGWSEFXOFVDDMY-QPPBQGQZSA-N 398.418 4.340 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)OCCCO2 587610558 PTKXOEGIANLDHU-REWPJTCUSA-N 390.391 4.256 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccnc2N(C)C)N1 587692105 JSYSUJWVXRLELC-JDNHERCYSA-N 398.707 4.326 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc(Cl)cc2)N1 587705927 ZZWNOXRFARDDBL-HUTHGQBESA-N 398.659 4.104 0 1 GIAF CC(C)n1ncc2c1CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587755983 CEPOXFOUXJKPFL-HXPMCKFVSA-N 392.316 4.480 0 1 GIAF c1ccc(CNc2nc(NC3CCCCC3)nc3nc(-c4ccco4)nn23)cc1 653768354 JVVWEJPBHDRPRB-UHFFFAOYSA-N 389.463 4.136 0 1 GIAF Brc1ccc2c(c1)[C@@H](c1ccnc(Br)c1)NC1(CC1)C2 961746008 CCSZRVZSLFIUGC-OAHLLOKOSA-N 394.110 4.374 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(c1cc(F)ccc1-n1ccnc1)N(C)[C@@H](C)C2 962640079 YVDBGVVRMHDAHS-WNSKOXEYSA-N 395.478 4.169 0 1 GIAF COc1ccc2c(c1OC)[C@@H](c1cccc3cc(C)[nH]c13)NCC21CCOCC1 963188479 JSFOSYSNCBYZKC-JOCHJYFZSA-N 392.499 4.234 0 1 GIAF O=C(Nc1ccc(O)cc1)Nc1cccc(-c2nccc(N3CCCC3)n2)c1 1772632133 PSFZTWLPYPUDTF-UHFFFAOYSA-N 375.432 4.093 0 1 GIAF Cc1nc(C)c(C(=O)N2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)s1 12005033 BSTMPLKOASFYRF-CQSZACIVSA-N 376.909 4.457 0 3 GIAF COc1ccc(CCNC[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1OC 13651334 FWMGIECEDIUFSN-DEOSSOPVSA-N 399.531 4.251 0 1 GIAF CCCN(CCC)C(=O)C[C@H]1c2ncccc2C(=O)N1c1ccc(Cl)cc1 13759897 PUWGFVBQSMPKQO-SFHVURJKSA-N 385.895 4.475 0 1 GIAF CCCCC[C@]12Cc3cc(OC)c(OC)cc3[C@H](O1)c1c(cc(C)oc1=O)O2 36379187 UKGHAZFEHGNDQP-RBBKRZOGSA-N 386.444 4.297 0 1 GIAF C[C@H](Cc1c[nH]c2ccccc12)N1CCC[C@H](c2ccnc(NC3CC3)n2)C1 40404218 TXUGDPXGLXURBO-SJORKVTESA-N 375.520 4.343 0 1 GIAF in-vitro Cc1ccc(CN(C)C(=O)c2cc3c(Cc4ccccc4)n[nH]c3cc2O)cc1 84707046 AXLPMHXDZNVJEQ-UHFFFAOYSA-N 385.467 4.440 0 1 GIAF COCc1cc(NC(=O)c2ccc(C)cc2)cc([C@]2(C)CCSC(N)=N2)c1 96174305 VJEFMHFJVLHAHE-NRFANRHFSA-N 383.517 4.061 0 1 GIAF Cc1cc(-n2sc(-c3c(F)cccc3F)nc2=O)ccc1OC(F)(F)F 103189037 FWYRWZHVKMTMGT-UHFFFAOYSA-N 388.317 4.446 0 1 GIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-n2ccnc2)c1 166404766 LOCBGVIBPMVXJC-LJQANCHMSA-N 391.471 4.143 0 1 GIAF COC(=O)N1C2=C(c3ccccc3[C@H]1CC(=O)O)[C@@H]1O[C@H](C2)c2ccccc21 195356241 GLKGSBGQSUVJBZ-HGHGUNKESA-N 377.396 4.212 0 1 GIAF CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CNC[C@@H]2CN3c2ccccc2)CC1 253654684 BTSZJCYVNKFSMU-PIATZUFCSA-N 381.608 4.392 0 1 GIAF Oc1nncc2nc(/C=C\c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586999335 ZSXAWZKKHOHQTC-VURMDHGXSA-N 383.205 4.251 0 1 GIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c[nH]1 587061340 VSUIUNUYCMBFBL-UHFFFAOYSA-N 390.756 4.167 0 1 GIAF Fc1c(Cl)cc2nc(C(F)(Br)Br)[nH]c2c1F 587087531 DHXJAVIKGLMUPY-UHFFFAOYSA-N 378.373 4.364 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cncc(C)c3[nH]2)c1 587146995 DYRSQWYQTOFWFM-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(I)cc2[nH]1 587169177 VDDWKLAUTGUMQK-VIFPVBQESA-N 382.176 4.447 0 1 GIAF Cc1cccc(NC(=O)Cc2nc3c(Br)cnc(Cl)c3[nH]2)c1C 587239302 PECWMIAKUUFBNB-UHFFFAOYSA-N 393.672 4.172 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 587356806 RMXNPPQSHDWMKR-FYYLOGMGSA-N 376.383 4.438 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(/C(=C/N(C)C)c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419081 CKGZBDPQHDDNIR-ACWUMNFQSA-N 383.875 4.457 0 1 GIAF COC(=O)C[C@]1(c2cccc3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445215 XSATXFCROQINKG-NTKDMRAZSA-N 388.419 4.054 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccc(Cl)cc3)n1)CC2=O 587460837 ISFJJRBBHFRMFE-LJQANCHMSA-N 383.835 4.285 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccccc3)c1N)CC2=O 587474712 HCIDWUAGMULEAC-IBGZPJMESA-N 377.444 4.128 0 1 GIAF CC(=O)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(F)cc2C1 587510809 WWPRQMZAJPNWDB-XMMPIXPASA-N 393.458 4.317 0 1 GIAF CCc1ccc2c(c1)[C@]1(C=C(C(=O)O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587530217 FFLMFUDQDZJLNL-XMMPIXPASA-N 390.435 4.349 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(F)cc1C2 587567897 FQJUPACCXROWHC-REWPJTCUSA-N 376.383 4.421 0 1 GIAF CC(=O)c1cc(N)cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587581261 VHIVNFYNXWIHPS-NZQKXSOJSA-N 389.407 4.054 0 1 GIAF C[C@H](Oc1ccccc1O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597152 SXAGNXAZAFGUJM-JOGUKUGOSA-N 392.407 4.286 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC=C2Br)N1 587687667 ZOCHWOOLHBQVAV-XLKFXECMSA-N 375.079 4.390 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccccc2Cl)N1 587693555 DUMMRWQRXRKPCX-DYZYQPBXSA-N 384.676 4.012 0 1 GIAF CCOC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C 587793055 QBLOVUYQHYFXDL-VVVCHXIZSA-N 395.272 4.025 0 1 GIAF C=C1C=C(C)n2ncc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2N1 587795535 PAEIVZDVWLUIER-BTDLBPIBSA-N 389.272 4.208 0 1 GIAF Cc1ccc([C@]2([C@@H](C)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587826270 KBRXKGRSSNOMFV-VPZZIHKRSA-N 378.285 4.055 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(CC(=O)O)cc2)N1 587828022 NQDHTLVBDRNWLH-WYRIXSBYSA-N 392.268 4.013 0 1 GIAF C[C@]1(c2cccc(-c3cccc(O)c3)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962906193 XDZUPWVAIOMPTR-JTHBVZDNSA-N 377.415 4.061 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1sc(-c2cccnc2)nc1C 963603980 CUSVEPURGURAEQ-DMZKTXOQSA-N 395.528 4.328 0 1 GIAF COc1cc(C(=O)Cn2ccc3c4ccccc4nc-3c2)cc(OC)c1OC 1772574085 BJRAGBJZQLCEBH-UHFFFAOYSA-N 376.412 4.050 0 1 GIAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@H](COc1ccc3ccc(=O)oc3c1)[C@]2(C)O 2356483175 ZMOPWHIELRYMND-ARMQZXDMSA-N 398.499 4.344 0 1 GIAF COc1ccccc1N1CCN(CC[C@@H](O)c2csc3ccccc23)CC1 1489634 BXLSCEOVEPCFSC-HXUWFJFHSA-N 382.529 4.156 0 1 GIAF CC1=C[C@H](C)[C@H](C)N(CCNS(=O)(=O)c2ccc(C)cc2)c2ccccc21 1639314 GNQPOUDSQAHPQM-HKUYNNGSSA-N 384.545 4.221 0 1 GIAF O=C(O)CSc1nnc(-c2ccc(C(F)(F)F)cc2)n1-c1ccccc1 2523831 TUKZYGUBMBDNPS-UHFFFAOYSA-N 379.363 4.130 0 1 GIAF CCOC(=O)c1cc2ccc(Cl)cc2n1S(=O)(=O)c1ccc(C)cc1 3654320 DDAOAVIQFKIWCR-UHFFFAOYSA-N 377.849 4.017 0 1 GIAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCc1ccc2ccccc2c1 26948360 VLRFKKHQPLHEOA-HXUWFJFHSA-N 395.499 4.269 0 1 GIAF Cc1nc2c3c(c(C(=O)NC4CCC4)cn2c1C)CC[C@H](c1ccccc1)O3 28867204 FYEVGINFXPAHTL-HXUWFJFHSA-N 375.472 4.300 0 1 GIAF COc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3ccc(F)cc3)cc2)c1 100106988 PFKVNJWXDQYRKH-LNWKWYTESA-N 388.486 4.441 0 1 GIAF Nc1nccn2c1c(-c1ccc(Oc3ccccc3)cc1)nc2[C@H]1C[C@H](CO)C1 100619003 AHANKXNSVKLMQF-WOVMCDHWSA-N 386.455 4.257 0 1 GIAF Cc1cc(C(=O)Nc2ccc3nc(NC(=O)C4CCCCC4)sc3c2)n(C)n1 28468733 YURUHXYSEVOIJA-UHFFFAOYSA-N 397.504 4.109 0 1 GIAF CC(=O)O[C@@H]1O[C@H]2OC(=O)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]14[C@H]23 38307881 VZLZHRXSOUBJEF-IOBKSZIJSA-N 376.493 4.044 0 1 GIAF Cc1oncc1CNC(=O)c1ccc2cc(-c3cc(-c4ccccc4)[nH]n3)[nH]c2c1 49808042 PORGQOZMAGWCOU-UHFFFAOYSA-N 397.438 4.451 0 1 GIAF CN1CCC(c2cc3c(-c4cccc(NCc5cccnc5)n4)ccnc3[nH]2)CC1 220206268 UXGWTGHPHHLGRU-UHFFFAOYSA-N 398.514 4.441 0 1 GIAF Nc1cnc(-c2ccc(-c3ccccc3Sc3ncncc3N)cc2F)cn1 224773699 YWCFGHMOWRGCJK-UHFFFAOYSA-N 390.447 4.055 0 1 GIAF O=C1C[C@@](Cn2ccnc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587504854 NRFRCRZXWJKPQG-HSZRJFAPSA-N 376.431 4.462 0 1 GIAF Cn1nc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587582071 NQDDFHUWMYOOBQ-CVDCTZTESA-N 386.407 4.156 0 1 GIAF Cc1nc2c(C)cccn2c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587776882 YUSAZFDZLKGCIQ-DIFFPNOSSA-N 388.284 4.476 0 1 GIAF COc1cc(N)c(I)cc1-c1nc2c(C)ccc(C)c2[nH]1 587178874 NMONMBNIGZTBGH-UHFFFAOYSA-N 393.228 4.042 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccc(F)cc4)o1)[C@@H](C2)C3=O 587426568 DQEXPAMPWXEINV-JTSKRJEESA-N 380.371 4.495 0 1 GIAF CCOC(=O)[C@@H](Cc1ccccc1C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399142 IHTKDQUNZKRDLF-WZONZLPQSA-N 381.472 4.032 0 1 GIAF CN(C)[C@H](Cn1c(O)ccc1OC(C)(C)C)c1cccc(Br)c1 587941688 VLNGOFYKBVXSFP-OAHLLOKOSA-N 381.314 4.436 0 1 GIAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C=O)c1O 587823711 VOOJNQSLBOJOSS-DYZYQPBXSA-N 378.241 4.038 0 1 GIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587811340 ZAQPWXIOTBHQQK-NSPYISDASA-N 394.284 4.403 0 1 GIAF CC(C)[C@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572232 UMUFLWPUMCZXBV-DENIHFKCSA-N 379.387 4.439 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(Cc2ccccc2)c1 587583428 WDLTUQZIAZXDKL-QPPBQGQZSA-N 398.418 4.340 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(S(=O)(=O)CC3CCCC3)c1)O2 587408327 FQHNYIYPMLHEQA-NRFANRHFSA-N 399.512 4.248 0 1 GIAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587242308 RWHNTAVSTGSPPN-UHFFFAOYSA-N 392.503 4.047 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)cc1S(C)(=O)=O)CC2=O 587488056 PAXWBLKGEYGBNK-KRWDZBQOSA-N 394.876 4.108 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cncnc1 587586663 LBFFJRJBDHERJW-ZJSXRUAMSA-N 396.402 4.088 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccc3nc(C)sc3c1)O2 587414124 KNIIVHNUASDQQB-OAQYLSRUSA-N 395.484 4.248 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1cccc3ccccc13)O2 587408594 QJGDUFFENVHFNP-QHCPKHFHSA-N 375.424 4.456 0 1 GIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)c(F)cc2[nH]1 587071279 ZCHHEJSPNZSCRL-JTQLQIEISA-N 382.664 4.403 0 1 GIAF CS(=O)(=O)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587145747 RHZIROKJDJGMBS-UHFFFAOYSA-N 380.444 4.363 0 1 GIAF Fc1cccc2c1[C@@H](c1cnc3cc(Br)ccn13)N1CCC[C@H]1C2 963103705 LKCMWBDWWYRCHU-IFXJQAMLSA-N 386.268 4.346 0 1 GIAF COc1cccc([C@]2(c3cccc(C)n3)NCCc3cc(C)c(F)cc32)c1OC 962091389 KJUAIDGSQOCWPY-DEOSSOPVSA-N 392.474 4.292 0 1 GIAF COc1cc2ncnc(N3CC[C@@H](Oc4cccc(C(C)C)c4)C3)c2cc1OC 14956444 PKPONRIRXFIKES-GOSISDBHSA-N 393.487 4.428 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccc(OCCF)cc1 167098820 IHSYGQNSGRWZNY-CRAIPNDOSA-N 387.451 4.162 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc2ccccc2n1 167569612 VMIVJKGTYBXEHQ-BEFAXECRSA-N 376.456 4.362 0 1 GIAF Cc1ccc([C@@H]2C[C@H]2c2cc(-n3nc(C)nc3Cc3ccccc3)nc(C)n2)nc1 205280895 BAHAFDOBADABSR-WOJBJXKFSA-N 396.498 4.239 0 1 GIAF Cc1ccc(-n2cc(CN3CCc4c([nH]c5ccccc45)C3)nn2)cc1Cl 1857589363 CGLRNMZXRLYLKI-UHFFFAOYSA-N 377.879 4.269 0 1 GIAF O=C1C2=NCCNC(c3ccccc3)=C2[C@@H](c2ccccc2)N1c1ccccc1 2494676 ZLQWBIMOFDLJCF-XMMPIXPASA-N 379.463 4.230 0 1 GIAF Cc1ccc2cc3cc(C(=O)NC[C@H]4COc5ccccc5O4)sc3nc2c1 4885981 WTQIAPDGQKLFID-INIZCTEOSA-N 390.464 4.328 0 1 GIAF Nc1nc(N)c2cc(CN(N=O)c3ccc(Cl)c4ccccc34)ccc2n1 29472817 SMQKIOQQYLLWKJ-UHFFFAOYSA-N 378.823 4.289 0 1 GIAF Cc1csc(-c2nc(CCCCC(N)=O)[nH]c2-c2ccc3ncsc3c2)n1 95559598 COLKSBSRSFMFAQ-UHFFFAOYSA-N 397.529 4.316 0 1 GIAF COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3)cc2)cc1 100106001 PGJUJVZPPAPDSV-UBRQYEGLSA-N 399.494 4.334 0 1 GIAF COc1cccc(CN2C[C@H]3N[C@@H](C2)[C@H]3c2ccc(-c3ccccc3F)cc2)c1 100107184 JFSVESWCKQSOHX-LNWKWYTESA-N 388.486 4.441 0 1 GIAF COc1ccc(-c2cc(NC(=O)NCCc3ccccc3)c(C(=O)O)s2)cc1 103291428 XTSXWOFKPJYELP-UHFFFAOYSA-N 396.468 4.486 0 1 GIAF C[C@H]1CCCN1[C@@H]1CC[C@H](c2ccc(N3CCC4(CCOCC4)C3=O)cc2)C1 147027103 WTVFOYLNIDIYLJ-RCZSKKKRSA-N 382.548 4.341 0 1 GIAF CC(=O)[C@H](C/C=C\CCCC(=O)O)CCC[C@H](O)COc1ccc(F)cc1 169316990 OJECGQVOPDFZFI-KIGHVORXSA-N 380.456 4.142 0 1 GIAF CN(C)c1cccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)c1 222107987 GZMMZGSQUDKURX-UHFFFAOYSA-N 380.455 4.156 0 1 GIAF Cc1nc(COc2cccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2)cs1 587020378 QDHFKYKNMPSRQT-UHFFFAOYSA-N 390.468 4.459 0 1 GIAF FC(F)(F)c1ccn(Cc2cc(-c3nc4c5c(ccc4[nH]3)CCCC5)no2)n1 587117221 BEQQBMTYPVXNEF-UHFFFAOYSA-N 387.365 4.360 0 1 GIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(F)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587238402 DAYOIJIVMZIREL-PCMMCCAGSA-N 389.471 4.257 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(Br)c1F)[C@@H](C2)C3=O 587427766 VDEZRKWFJHNTHC-HUTHGQBESA-N 381.172 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCCOc4cc5c(cc41)CCCC5)[C@@H](C2)C3=O 587453030 NBMFXTGERQLRAM-YADARESESA-N 376.452 4.390 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cccc(OC)c1)CC2=O 587469050 GZFUECMGKHAMJP-QFIPXVFZSA-N 383.444 4.106 0 1 GIAF CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514945 YOWFYPJKQUHGLT-FQEVSTJZSA-N 394.471 4.436 0 1 GIAF CS(=O)(=O)c1cccc(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587530212 FFFALKSBWDSBBE-QGZVFWFLSA-N 390.888 4.329 0 1 GIAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587555646 QTWXGKKQUXVDQD-KNQAVFIVSA-N 379.387 4.300 0 1 GIAF CC(C)=CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587583598 UDAMPLUAWZZGOA-FQEVSTJZSA-N 379.456 4.155 0 1 GIAF O=C(CSc1ccccn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661655 QRQXQTIWWHVICK-UHFFFAOYSA-N 391.427 4.030 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cccn3)cc2)N1 587760656 PKVUOKCLDBADNP-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(C2CC2)N1 587775392 ZSZLZNHIWKOLAA-HXPMCKFVSA-N 375.285 4.365 0 1 GIAF CCOC(=O)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587795999 JWDZBLHEGYOKQE-ADLMAVQZSA-N 386.305 4.317 0 1 GIAF COc1ccc(C[C@H](C)c2nc3c(C)c(Br)cnc3[nH]2)cc1OC 587927423 ULJNFCURCLBMQH-JTQLQIEISA-N 390.281 4.392 0 1 GIAF CCCc1cccc2c(-c3cnc(-c4ccc(CC(=O)O)nc4)s3)n[nH]c12 653782574 KMPGOGCULCADRV-UHFFFAOYSA-N 378.457 4.328 0 1 GIAF CCOc1cc2c(cc1OC)CCN1Cc3[nH]c4ccc(OC)cc4c3C[C@@H]21 1772589144 IGNMXZAJSSBOSZ-NRFANRHFSA-N 378.472 4.239 0 1 GIAF CCO[C@@H]1OC[C@@]23CCC[C@@]1(C(=O)OC)[C@@H]2CC[C@@H]1[C@H](C)c2ccoc2C[C@H]13 2356760655 CCEGZEAPRHXFQB-GLPVVWMSSA-N 388.504 4.304 0 1 GIAF Cc1cccc(-c2nc(CN3CCC[C@@H](C(=O)NC4CCCC4)C3)c(C)o2)c1 4035755 YOOUEBANHAONTL-LJQANCHMSA-N 381.520 4.229 0 3 GIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1Br 1540808 JNBSJLZGQLLABB-UHFFFAOYSA-N 393.262 4.213 0 1 GIAF Cc1ccccc1NC(=O)CSc1n[nH]c2c3cc(Cl)ccc3nc-2n1 104996323 GTGRGUWRAIDIBH-UHFFFAOYSA-N 383.864 4.150 0 1 GIAF CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc([C@H](C)O)cnc32)CC1 26016273 FTRLGWYKFAFTDF-AWEZNQCLSA-N 396.918 4.331 0 1 GIAF O=C(N[C@H]1COCC[C@@H]1NC1CCCC1)c1ccc(C(F)(F)F)cc1C1CC1 118607573 SFCADRZKHYKTKL-OALUTQOASA-N 396.453 4.002 0 1 GIAF COc1cc2c(cc1OC)[C@H]1CN3CCC[C@@H]3C=C1c1ccc(OC)c(O)c1-2 1632195 KXSJHSREHJDQJT-ACJLOTCBSA-N 379.456 4.044 0 1 GIAF biogenic O[C@@H](COc1cccc(-c2ccccc2F)c1)CN1CCc2ccccc2C1 219737849 DPACXCAILCWPJK-OAQYLSRUSA-N 377.459 4.291 0 1 GIAF O=C(NCc1ccccc1)c1cnc(N2CCCCC2)nc1-c1ccc(F)cc1 82140934 GLBVDQHGXLORBP-UHFFFAOYSA-N 390.462 4.203 0 1 GIAF CC(=O)N(Cc1cccn(CCF)c1=O)c1ccccc1Oc1ccccc1 84688440 JCLHPIZHXGIQBY-UHFFFAOYSA-N 380.419 4.163 0 1 GIAF CC[C@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCC(C)C)ncnc21 82177826 KLBNJFKLHGEYFP-AWEZNQCLSA-N 383.496 4.322 0 1 GIAF CCOc1cc(CCNc2cncc(Oc3cccc(F)c3)n2)ccc1OC 82068673 RMKHBLTTYITUBY-UHFFFAOYSA-N 383.423 4.470 0 1 GIAF CCOn1c(Sc2cc(Cl)cc(Cl)c2)c(CC)c(=O)[nH]c1=S 98084581 LWGCAGWDIFZLPS-UHFFFAOYSA-N 377.318 4.375 0 1 GIAF Nc1c(-c2cn(Cc3ccccc3)c3ccccc23)n(O)c2ccccc2[n+]1=O 377841277 IJKDWYRTXRJYCZ-UHFFFAOYSA-N 383.431 4.045 0 1 GIAF CCN(C)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587739369 GOFVLAMWVVBIKA-VOJFVSQTSA-N 378.289 4.063 0 1 GIAF O=Cc1ccc(OCc2occc2-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 586901668 WLTJWAGODYWWSV-UHFFFAOYSA-N 387.395 4.099 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(-c2ccccc2)no1 587868395 KFBCLISXEIQSDM-UHFFFAOYSA-N 387.321 4.012 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N2CCCCCC2)N1 587764595 GFVHBDJOOHGFRQ-YJYMSZOUSA-N 397.332 4.130 0 1 GIAF C[C@@H]1Cc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1C 587584402 XOVZDTMKXQJVQQ-FCDRKTINSA-N 387.435 4.476 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3cn(C)nc3c2)N1 587759507 LLKVTUPONAFZGX-JEOXALJRSA-N 388.284 4.273 0 1 GIAF Cc1ccc([C@]2(CO)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587351693 JGTGFZGSGBMTQD-GGAORHGYSA-N 378.399 4.086 0 1 GIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 587242407 RXQTXPOOVVKCFL-UHFFFAOYSA-N 385.489 4.008 0 1 GIAF CN(C)Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587571461 LEDAGPYIQSICEF-OFNKIYASSA-N 375.424 4.157 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN3CCC[C@H](C)C3)cc1)O2 587396199 QGWDFDOVEXYSPL-QMHKHESXSA-N 394.515 4.394 0 1 GIAF Cc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834604 LPLZFFFEJAXOOX-CWTRNNRKSA-N 376.269 4.457 0 1 GIAF Nc1ccc2c(c1)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336672 NZYQHMJQPMGZRC-FYYLOGMGSA-N 375.399 4.314 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ncon2)cc1 587587400 GOAUCHNZDLERLY-GHTZIAJQSA-N 386.363 4.145 0 1 GIAF Cn1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587580384 HXKHUHIJRPMWAJ-QPPBQGQZSA-N 398.418 4.031 0 1 GIAF COC(=O)[C@@H]1CCC(C)(C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587592754 KDCFUNPHVFUKNS-WIRVKHDMSA-N 396.439 4.092 0 1 GIAF COc1ccc([C@@H](O)[C@H](C)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 587934368 CUDNCSQBFUYLRB-RTHLEPHNSA-N 396.672 4.220 0 1 GIAF C[C@H]1C(C)(C)[C@H](C(=O)O)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587828452 SRBUKLCPTBXDNM-FNPAYESESA-N 398.316 4.475 0 1 GIAF O=C(O)/C=C\c1ccccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 586882486 VPKBWXIZILZVAS-WAYWQWQTSA-N 378.613 4.139 0 1 GIAF CCOC(=O)C[C@@]1(C2(C)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350340 RTVNHVRJNJAOMT-NFBKMPQASA-N 398.430 4.382 0 1 GIAF Nc1ccc2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333794 IDYZHFSOEGTGTM-GMAHTHKFSA-N 375.399 4.314 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(Br)c[nH]c4c1)[C@@H](C2)C3=O 587418705 UZOLZNOHIHWWDE-DJJJIMSYSA-N 384.229 4.428 0 1 GIAF COC(=O)c1csc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587846085 GMDNEVLXKIDCJJ-XLFHBGCDSA-N 398.297 4.234 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CCO[C@H]1C21CCCC1 587839293 QZOYUKMVVAWHMC-XUGODWMZSA-N 380.301 4.297 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@@H](c2ccc(-c3ccncc3)cc2)N1)C(F)(F)F 962715917 SWSPEUHSDHLMKI-WOJBJXKFSA-N 382.385 4.484 0 1 GIAF COc1ccccc1Sc1ccc(/C=C/C(=O)N2CCOCC2)cc1Cl 13470537 HANCDWQKPIEEQU-VQHVLOKHSA-N 389.904 4.372 0 1 GIAF CN(CCF)c1ccc(-c2cn3cc(I)ccc3n2)cc1 13560558 LDNZLDYHUHKZFR-UHFFFAOYSA-N 395.219 4.012 0 1 GIAF O=C1O[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1Cc1cccc(C(F)(F)F)c1 13740652 QXCVZBAXCMOJRS-KRWDZBQOSA-N 388.345 4.277 0 1 GIAF CC[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 169349337 UWPNKBCSKDRBJI-YZUZCNPQSA-N 387.483 4.193 0 1 GIAF COc1cc(-c2nccn2-c2ccc(Br)cc2)cc(OC)c1OC 1857558151 NMSKLMPJSOLHBF-UHFFFAOYSA-N 389.249 4.328 0 1 GIAF CCc1nc2cc(Cl)ccn2c1C(=O)NCCOc1ccc(Cl)cc1 1857572198 RPKHPKFJNDRMMD-UHFFFAOYSA-N 378.259 4.012 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215780 OJDDWOUTTXHPHK-FZDIXFNVSA-N 380.554 4.285 0 1 GIAF CC[C@H](C)NC(=O)[C@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)oc2C)C1 5056186 BSQMXJBMOVVRAH-YOEHRIQHSA-N 389.927 4.430 0 1 GIAF O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1nccs1 5101125 BHCJSUWNSLTRNB-VNTMZGSJSA-N 386.476 4.386 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc([C@@H](C)N3CCCC3)cc1)C2 28344334 NHEKQZLGKSZIOS-IVZQSRNASA-N 381.472 4.047 0 1 GIAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)c(Cl)c2)N1 39374900 CWEDPVSIJOZZDP-IAGOWNOFSA-N 375.255 4.251 0 1 GIAF COc1ccc(-c2cnc3ccc(NCc4ccc(F)cc4)nn23)cc1OC 45227646 UZDUYHGEABBBHY-UHFFFAOYSA-N 378.407 4.165 0 1 GIAF COc1ccc(CN2CCC(NCc3ccc(C(F)(F)F)cc3)CC2)cc1 45322705 XUQXGVMTNGWCRL-UHFFFAOYSA-N 378.438 4.468 0 1 GIAF Cn1cnc2c(Nc3ccncc3)nc(-c3ccc(OC(F)(F)F)cc3)nc21 45323694 VJQJVKXDRZLQPD-UHFFFAOYSA-N 386.337 4.068 0 1 GIAF Cc1c(C(=O)Nc2cccc(C(F)(F)F)n2)nn(C)c1-c1ccc(F)cc1 95602214 XEOUHKRCFUTCQO-UHFFFAOYSA-N 378.329 4.201 0 1 GIAF CCOP(=O)(CCCC(=O)Nc1cccc(Br)c1)OCC 96907977 BNXDSNSOOGUSLK-UHFFFAOYSA-N 378.203 4.434 0 1 GIAF CC(C)[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1cccc(Cl)c1 96932412 IYCDUYRXILCPOP-INIZCTEOSA-N 381.259 4.092 0 1 GIAF N=c1c(Cc2ccccc2Cl)c[nH]c(=O)n1-c1ccc(Cl)c(Cl)c1 101052679 GDICWMAOPDQUJG-UHFFFAOYSA-N 380.662 4.196 0 1 GIAF O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(C2=NOC3(CCCC3)C2)cc1 103210691 XNIKXLIBAYCCJZ-UHFFFAOYSA-N 399.397 4.364 0 1 GIAF CC1=C(C(=O)Nc2cccc(C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)c2)SCCO1 103733460 MCYZFHKBOIVVFE-DEYYWGMASA-N 388.533 4.175 0 1 GIAF COc1cccc(-c2nccnc2C2CN(c3ccc4ccc(F)cc4n3)C2)c1 139793597 VSEMUCYQFVCUGF-UHFFFAOYSA-N 386.430 4.443 0 1 GIAF C[C@@H](NCCCN)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 141871481 QMTCISZTKGKKTL-SSKHJLFTSA-N 376.629 4.333 0 1 GIAF Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(Cl)cc5[nH]4)c3N)cc2[nH]1 150041542 UTNNTOYFWYQAJK-UHFFFAOYSA-N 390.834 4.005 0 1 GIAF O=C(c1ccccc1)c1cc(C(=O)C(F)(F)F)n(-c2ccc(O)c(F)c2)c1 169311964 OTOKYNSJRCLFTC-UHFFFAOYSA-N 377.293 4.298 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CCC[C@]4(C)[C@H]3CC[C@@]21C 169369801 ARCONGNMKCTCRP-IXGPGGTISA-N 388.596 4.382 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2nccn3c(-c4cc(C)cc(C)c4)cnc23)cc1 206594560 QVKGFIAEUWKQKT-UHFFFAOYSA-N 392.484 4.122 0 1 GIAF CC(C)Oc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1 299820521 GBHJIQHETMVFEI-UHFFFAOYSA-N 390.439 4.404 0 1 GIAF C[C@@H](c1ccc2c(c1)CCN(C(=O)c1cc3cc(Cl)ncc3n1C)C2)N(C)C 299831146 AMQLOAKAHIONBV-AWEZNQCLSA-N 396.922 4.048 0 1 GIAF Cc1c(NCc2ccc(Cl)c(Cl)c2)[n+](=O)c2cc(F)c(F)cc2n1O 377797404 KJZPXQXSPJNWEK-UHFFFAOYSA-N 387.193 4.299 0 1 GIAF CC(C)(C)c1cc(=NC(=O)Nc2cccc(Oc3cncc(Cl)n3)c2)[nH]o1 473086398 HRDSLRKPXDHOAX-UHFFFAOYSA-N 387.827 4.274 0 1 GIAF COc1cc(CN2CCc3cc(OC)c(OC4CCCC4)cc3C2)ccc1O 473248027 LEESXCIZKAVLHS-UHFFFAOYSA-N 383.488 4.289 0 1 GIAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586941002 MIMZNNGLFAQELR-VOTSOKGWSA-N 396.299 4.268 0 1 GIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(C)cc(C)c4[nH]3)CC2)cc1 586955497 PWHQQHNPAWVHDA-UHFFFAOYSA-N 383.517 4.056 0 1 GIAF CC(C)(C)OC(=O)N[C@H]1Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586987068 JZJYXTTYZNPCGM-HNNXBMFYSA-N 388.423 4.274 0 1 GIAF CCCc1sc(=N)[nH]c1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587013705 XHWWXAUTGHRQML-UHFFFAOYSA-N 377.342 4.101 0 1 GIAF Clc1ncc(I)c2nc(/C=C\c3ccsc3)[nH]c12 587025840 ONXFVBCHQYIPNV-UPHRSURJSA-N 387.633 4.448 0 1 GIAF CCOC(=O)[C@H](CC(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096755 GSJXGMOCEGVLQY-LJQANCHMSA-N 387.435 4.380 0 1 GIAF Nc1ccc(-c2ccc3nc(/C=C/C(=O)Nc4ccc(F)cc4)[nH]c3c2)cc1N 587167167 OHDCKXXSXJYVPI-MDZDMXLPSA-N 387.418 4.185 0 1 GIAF O=S(=O)(Nc1ccsc1-c1nc2cccc(F)c2[nH]1)c1ccc(F)cc1 587170161 KTPKNXRXUVXEGB-UHFFFAOYSA-N 391.424 4.370 0 1 GIAF O=S(=O)(O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587195691 HKNWXYGLSJBANU-UHFFFAOYSA-N 393.468 4.016 0 1 GIAF COc1ccnc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587336853 KOIVNJTZAPAVOF-UNMCSNQZSA-N 379.387 4.209 0 1 GIAF O=C(O)[C@@H]1CCC[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587355497 VDJVTHKKNOFMMT-YFYZNPQRSA-N 384.403 4.294 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(=O)OC(C)C)c3ccccc13)O2 587391446 RMYWBJFQWSKRRX-NRFANRHFSA-N 392.455 4.190 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1nc(-c4ccccc4)n4ccccc14)[C@@H](C2)C3=O 587436058 MVIKIWRJCLQIKK-SBUREZEXSA-N 382.419 4.499 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cccc(C(F)(F)F)c21 587464288 NNIYDMSMXOXVBY-IBGZPJMESA-N 391.345 4.176 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3cc(C)cc(C)c3)n1)CC2=O 587475642 NDDDCLUHIPBOCR-NRFANRHFSA-N 377.444 4.249 0 1 GIAF Cn1nccc1[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581754 MHHQWOUTBWUBEC-OFSQETHSSA-N 390.439 4.184 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)o1 587594210 MBELXCNDLZDFKL-DENIHFKCSA-N 377.396 4.288 0 1 GIAF C[C@@H]1C(C)(C)[C@H](C(=O)O)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587606219 CYDBFMFOIHZHMA-NDHIFDKRSA-N 396.439 4.250 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)OCCCO2 587610555 PTKXOEGIANLDHU-NZQKXSOJSA-N 390.391 4.256 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nc(-c2ccccc2)no1 587661969 VGPUCTKOMRIXLM-UHFFFAOYSA-N 384.370 4.242 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C3(C)COC3)cc2)N1 587836906 YNJRIAUQCPPXLD-BUXKBTBVSA-N 390.296 4.500 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(F)cn1 587865205 XKVGVXDPSRTKAF-UHFFFAOYSA-N 379.313 4.190 0 1 GIAF CCOC(=O)[C@@H](C)Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1 653803292 NECJZYLZAOCUBL-AWEZNQCLSA-N 393.405 4.377 0 1 GIAF CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@@H]1c1ccoc1 1857565918 MDRQWSHSHLNIKV-CQSZACIVSA-N 377.322 4.024 0 1 GIAF Cc1cc(F)c(Cl)cc1NC[C@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 1857566213 PJKDFQYNBVBUQX-KBXCAEBGSA-N 396.915 4.287 0 1 GIAF COc1cccc(OCc2cc(C(=O)N(Cc3ccccc3)CC3CC3)no2)c1 12207951 IMCGRQKEZLFPIC-UHFFFAOYSA-N 392.455 4.315 0 3 GIAF COc1ccccc1NC(=O)Nc1nc([C@@H](N)CCc2ccccc2)cs1 61907948 MSLQBODARMJEAA-HNNXBMFYSA-N 382.489 4.428 0 3 GIAF O=C(Nc1cccc(OC(F)(F)F)c1)[C@@H]1Cc2c(-c3ccco3)ccnc2O1 61927003 UUXOXNQDIQKYRK-INIZCTEOSA-N 390.317 4.182 0 3 GIAF CC(=O)CC[C@@H]1[C@@H]2[C@H](O)[C@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@]21C 253979339 MZRGOEIFXVZAOF-FIHGTGQVSA-N 384.516 4.270 0 3 GIAF CNCCCn1c2ccccc2c2c3c(c(-c4ccsc4)cc21)C(=O)NC3=O 1543917 WTOWBVAIDHKDOZ-UHFFFAOYSA-N 389.480 4.016 0 1 GIAF Cc1ccc(-n2nc(-c3nnc(Nc4ccccc4F)o3)c(=O)cc2C)c(C)c1 103284626 ZOARZUAJUQRERI-UHFFFAOYSA-N 391.406 4.090 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@@H]2CC[C@H]1N2C/C=C/CF 58541423 FXIKVFNIIRHKBX-MBHMRJJTSA-N 396.300 4.084 0 1 GIAF COc1ccc(-c2c(C)nn3c(N[C@H](C)c4nc(C)no4)cc(C)nc23)c(C)c1 64235685 OHUCVTVUOWVHLG-CQSZACIVSA-N 392.463 4.195 0 1 GIAF COc1cc(/C=C/c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1-n1cnc(C)c1 66251336 XMBIEFVGYZWGIM-SOFGYWHQSA-N 392.484 4.275 0 1 GIAF O=C(N[C@@H](c1ccc(Cl)cc1)C1CCNCC1)c1ccc2cnccc2c1 72180022 JKMRXGNFZRTSJG-NRFANRHFSA-N 379.891 4.359 0 1 GIAF CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccc(NC(=O)C4CC4)cc3CC[C@@H]21 45358670 AIYWSFMMSLVJNW-RBBKRZOGSA-N 396.918 4.329 0 1 GIAF N#CN1CC(O[C@@H](c2ccccc2)c2cc(-c3ccon3)cc(-c3ccon3)c2)C1 1911581893 MQSPTFSOEACMJD-QHCPKHFHSA-N 398.422 4.268 0 1 GIAF COCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2cccc(Cl)c2)cs1 82192663 XHEGFBHPMULPMN-HNNXBMFYSA-N 381.929 4.053 0 1 GIAF Cc1ccc(Sc2ccccc2CSC(=N)N)c(CSC(=N)N)c1 84689410 BHQRWNYLGUZQNK-UHFFFAOYSA-N 376.576 4.400 0 1 GIAF O=C(NC1CCCCC1)Oc1cccc(C2=N[C@H](Cc3ccccc3)CO2)c1 45300291 MBJNJAOAXPKGHD-HXUWFJFHSA-N 378.472 4.496 0 1 GIAF CC(C)(C)CN[C@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C[C@@H]1O 40429668 QBGINQFHWYRRNE-BVNCSNDHSA-N 377.613 4.365 0 1 GIAF CCOc1ccccc1C(=O)N[C@H]1CCN(CCOc2ccccc2C(C)C)C1 95573151 HQDFVBNAAKOTJK-IBGZPJMESA-N 396.531 4.092 0 1 GIAF CS(=O)(=O)n1c(/C=C/c2cc(Cl)cc(Cl)c2)nc2cc(F)ccc21 299871104 XTCQJAVPQDMVHM-GORDUTHDSA-N 385.247 4.460 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(F)c(C)c3[nH]2)cc1 587042535 LOFUPLGJVNGALK-QGZVFWFLSA-N 385.464 4.297 0 1 GIAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587338674 UPANHJJBSGEWSG-KNQAVFIVSA-N 396.345 4.009 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccc(Cl)cc3Cl)nn1)O2 587377633 XFUMDDODKRDVTD-KRWDZBQOSA-N 389.242 4.171 0 1 GIAF Fc1c(F)c(-c2nc3cncc(Br)c3[nH]2)c(F)c(F)c1S 587133982 HAWXLIFGVNEVSC-UHFFFAOYSA-N 378.148 4.233 0 1 GIAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C(C)C 587584289 ZHNQDDZTGIJOOB-UGKGYDQZSA-N 378.428 4.355 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2=COCC2)(C(F)(F)Cl)N1 587708717 ZMTSHWJVIBNXSD-RMLUDKJBSA-N 396.634 4.454 0 1 GIAF CCn1ncc([C@@]2(CC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587583696 WQRYIMAZGYJQFO-SIKLNZKXSA-N 378.428 4.184 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)cn1)CC2=O 587459069 MQSOWAHYTZNFKE-SFHVURJKSA-N 376.250 4.383 0 1 GIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(C(F)(F)F)cccc2[nH]1 587039810 VKHNJSBMDPPGRW-UHFFFAOYSA-N 385.371 4.447 0 1 GIAF Clc1cnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1Cl 586966648 HQOUVSGWNHGMMX-UHFFFAOYSA-N 379.232 4.002 0 1 GIAF Cc1cc(Br)cc2nc(CCNC(=O)OCc3ccccc3)[nH]c12 587228897 TUHAIPSDLZTUCV-UHFFFAOYSA-N 388.265 4.103 0 1 GIAF Cc1c(Br)ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 587173113 VZNJRHFTTXTOSY-SFHVURJKSA-N 389.224 4.401 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4nc5ccccc5n4C)o1)[C@@H](C2)C3=O 587433402 XHZVOUNSEZPOOE-RCDICMHDSA-N 386.407 4.331 0 1 GIAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc[nH]c(=N)c2[nH]1 587087415 PVWCTUBTIPXPPX-VOTSOKGWSA-N 399.285 4.401 0 1 GIAF CCOC(=O)C[C@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2cc(C)cc(N)c2O1 587397788 BAALRDCEGQYEBA-WCZBPMHTSA-N 397.515 4.451 0 1 GIAF CCn1ncc(Br)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506977 ZPBDPVFGKCJAAP-INIZCTEOSA-N 375.266 4.251 0 1 GIAF COCC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587789484 CIQGTHGQJSSDGO-DJJJIMSYSA-N 378.285 4.403 0 1 GIAF Cc1[nH]c(C(=O)O)c(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791575 MCUWPWBLNKVVBM-DCXZOGHSSA-N 395.272 4.029 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(O)cc(CC)n1 587865747 HNGMQFKUMDNMPF-UHFFFAOYSA-N 378.354 4.015 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@H](c2ccc(O)c(C(F)(F)F)c2)N1)C(F)(F)F 962731446 SBHZHENPSWSARQ-HIFRSBDPSA-N 389.295 4.146 0 1 GIAF COc1ccc(-c2cc3cc(F)ccc3nc2/C=C2\SC(=O)NC2=O)cc1 1772584358 HVENFJQMZGBZNA-ZDLGFXPLSA-N 380.400 4.373 0 1 GIAF COc1cc(CCCOC(C)=O)c(C=O)c2cc(-c3ccc4c(c3)OCO4)oc12 1772655493 FISFFAOBLWVTMO-UHFFFAOYSA-N 396.395 4.145 0 1 GIAF CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N2CCCCC2)C1 13677476 VXDYZTDYUKVXNJ-HKUYNNGSSA-N 380.985 4.121 0 1 GIAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 13783304 DIJBBUIOWGGQOP-KQFCJCSDSA-N 396.549 4.342 0 1 GIAF O=C(c1ccccc1)[C@@H]1c2c(c(O)n(-c3ccc(F)cc3)c2O)[C@H]2CCCN12 169688923 NODSFGHURUEGEB-APWZRJJASA-N 378.403 4.102 0 1 GIAF COc1cc2c(Nc3ccc(C(F)(F)F)cc3)ncnc2c(OC)c1OC 1857751255 FQBHKAAAKGNDQI-UHFFFAOYSA-N 379.338 4.418 0 1 GIAF O=C(C1CCCCC1)N1CCC([C@@H](O)C[C@@H]2c3ccccc3-c3cncn32)CC1 205763334 FDUHADIZUWTWAZ-GGAORHGYSA-N 393.531 4.023 0 1 GIAF CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)cc2)CCc2c1[nH]c1ccccc21 40860227 IIDSLZKFWFFLAB-UHFFFAOYSA-N 392.430 4.298 0 1 GIAF Cc1ccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C(=O)NC2CCCCC2)cc1 1377966 BBPMKPPMMBFWTQ-NHCUHLMSSA-N 383.536 4.153 0 1 GIAF CCC[C@H](CC(=O)O)C1=CC(C)(C)Oc2cc(O)c3c(c21)O[C@@H](C)[C@H](C)C3=O 2356440120 OJXMBTKCCGQFQW-RWMBFGLXSA-N 388.460 4.437 0 1 GIAF CC(=O)c1cccc(OCCCN2CCN(Cc3ccccc3Cl)CC2)c1 103195683 AOOAAZFXCJGFDS-UHFFFAOYSA-N 386.923 4.129 0 1 GIAF C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1 26400260 HVQFTLQVTZRSOZ-SOJXWBNQSA-N 394.559 4.349 0 1 GIAF C1=C(c2ccc(CCN3CCOCC3)cc2)[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 29128148 UNRGMCLRRBQICS-AHWVRZQESA-N 388.555 4.097 0 1 GIAF COc1ccc(CSc2nc(CN3CCCc4ccccc43)cc(=O)[nH]2)cc1 72178199 MFFLUYRIFYWUBJ-UHFFFAOYSA-N 393.512 4.024 0 1 GIAF CCOc1ccc(-c2ncnn2-c2cc(OC)c(OC)c(OC)c2)cc1Cl 49115443 KCDYBDAYAYTMDF-UHFFFAOYSA-N 389.839 4.012 0 1 GIAF Cc1nc2c3c(c(C(=O)NC4CC4)cn2c1C)CC[C@]1(CCc2ccccc21)O3 40866964 LEJWEIBZNYAPGL-DEOSSOPVSA-N 387.483 4.010 0 1 GIAF Cc1ccc([C@]2([C@H](C)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587828150 RUBJSQRHAAXPDY-NQCMUKECSA-N 378.285 4.055 0 1 GIAF CCC(=O)OC1=C(C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587813589 VWHMJFGWFVKONG-BBATYDOGSA-N 382.273 4.339 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@]1(C)CC[C@@H]2C1(C)C 587817554 MGADWBINPZIUPX-NTRPRMIXSA-N 380.301 4.343 0 1 GIAF CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587398732 HIEUFKOBUOEIBI-JPYJTQIMSA-N 397.471 4.036 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1cccc(F)c12 587573245 YMNSFPUQKCIYAC-KNQAVFIVSA-N 378.355 4.171 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3c(C(=O)O)cccc32)N1 587820111 ABRMJILCZVREQN-APBUJDDRSA-N 390.252 4.010 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-n1cccn1 587583753 XLBZNWNUAFIJMN-REWPJTCUSA-N 384.391 4.281 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cc(OC(C)=O)cc1Cl)[C@@H](C2)C3=O 587420221 GZKRRYLOAIVRFA-HXPMCKFVSA-N 393.222 4.416 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(OC)nc4[nH]3)c(F)c2)c1 587146952 CNXPQQKSCDRZDI-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF CCOC(=O)[C@@H]1CC[C@@H](c2ccccc2)[C@]12CC(=O)c1cc(C)cc(N)c1O2 587398306 DJPNMVDYZFDPDO-IUKKYPGJSA-N 379.456 4.038 0 1 GIAF COCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599616 YHGHSDPEHYOYBW-OFNKIYASSA-N 392.407 4.120 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(F)c(O)cc32)N1 587727454 CMLDZFBKOOATLI-LZVRBXCZSA-N 380.232 4.157 0 1 GIAF FC(F)(F)c1cnc2[nH]c(CCNc3ccc(Br)cc3)nc2c1 586996068 QYOBXVIYUJLVGZ-UHFFFAOYSA-N 385.187 4.394 0 1 GIAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)cc(Cl)c2[nH]1 587094716 UBHRJPOPFYODLY-RXMQYKEDSA-N 384.583 4.108 0 1 GIAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1ccncc1Br 962692456 BKWSDTVMLXQYQG-KPZWWZAWSA-N 393.325 4.436 0 1 GIAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cnc3ccoc3c2)N1 963177517 VFJVBRNYFATWMI-LRDDRELGSA-N 396.752 4.188 0 1 GIAF COc1cccc2cc3c(nc12)[C@H](c1csc(-c2ccc(N)cc2)n1)NCC3 963035159 MBRNQKHMWMAPCM-NRFANRHFSA-N 388.496 4.184 0 1 GIAF CCC(=O)N[C@@H]1CCCc2c1cncc2N1C(=O)c2ccc(Cl)cc2[C@@H]1C 224484536 YAUDVUAWFKWKAO-KPZWWZAWSA-N 383.879 4.360 0 1 GIAF C[C@@H](NC(=O)CCc1nc2cccnc2n1Cc1ccccc1)c1ccccc1 1772621670 LADAPKJTWXIYQL-GOSISDBHSA-N 384.483 4.290 0 1 GIAF CC(=O)O[C@@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OCc1ccccc1 5857759 BZRPIFDSLPXSTO-FGZHOGPDSA-N 394.423 4.154 0 1 GIAF COC(=O)c1ccc(NS(=O)(=O)c2sc3ccc(Cl)cc3c2C)cc1 13587569 RWJSAWKMDZHKOP-UHFFFAOYSA-N 395.889 4.451 0 1 GIAF CC(=O)N(C)[S@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 13902870 UCLJDKPSCNMHST-RUZDIDTESA-N 379.869 4.101 0 1 GIAF CC(=O)CC[C@@H]1[C@@H]2[C@@H](O)[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@]21C 169295093 MZRGOEIFXVZAOF-ZLWAJZLJSA-N 384.516 4.270 0 1 GIAF C[C@H]1CCC(Nc2cc(N[N+]#N)c(I)cc2Cl)=N1 169728872 HSJPTQHQHNSSTQ-LURJTMIESA-N 376.609 4.117 0 1 GIAF CC(C)Nc1nc(-c2ccc3[nH]cc(-c4cncc(OC(C)C)n4)c3c2)no1 204770967 IDUWQBLPEKOROY-UHFFFAOYSA-N 378.436 4.282 0 1 GIAF COC(=O)[C@H]1CCC[C@H](C(=O)N2CC[C@@]3(C)c4ccccc4C[C@@H]2C3(C)C)C1 205475222 HQVDNAGGANXTMU-CSXBVJTASA-N 383.532 4.107 0 1 GIAF O=C(NCC1(c2ccc(Cl)nc2)CCCCC1)[C@H]1CCOc2ncccc21 205614841 OCGNNUGNGDLYIX-INIZCTEOSA-N 385.895 4.014 0 1 GIAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@H](c2cccc(O)c2)NC(=O)N1 207158615 AUPBYLRPPIUNRA-IBGZPJMESA-N 388.452 4.172 0 1 GIAF CC(C)(C)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cnc(CN)s2)c1 1857558219 HYCVXHVVBRZYLY-UHFFFAOYSA-N 386.542 4.399 0 1 GIAF O=c1c2cnn(-c3ccccc3)c2nc(-c2ccccc2F)n1-c1ccccc1 752757 JEZSDRHESDMHBO-UHFFFAOYSA-N 382.398 4.378 0 1 GIAF CCN(Cc1ccccc1)C(=O)CSc1nnc(C)n2c1cc1sccc12 6893844 AYFXAYKEAQCLFU-UHFFFAOYSA-N 396.541 4.393 0 1 GIAF O=C1c2cccc3cccc(c23)N1CCCCN1CCN(c2ccccc2)CC1 13531163 LVXLRDLUQRLQEU-UHFFFAOYSA-N 385.511 4.402 0 1 GIAF COC(=O)[C@H](c1ccc2c(c1)OCO2)c1c2c(nc3ccccc13)CCCC2 26824012 OQUYJGQEHATGLA-OAQYLSRUSA-N 375.424 4.147 0 1 GIAF O=C(O)/C=C/c1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)O)c2c1 27628106 OQYGDBLJHDKCPQ-KRXBUXKQSA-N 398.212 4.460 0 1 GIAF CN1CCC[C@H]1Cc1cn(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 28525878 UKNMCVDZYVOEHH-KRWDZBQOSA-N 388.920 4.168 0 1 GIAF c1ccc(CN2CCN(c3ccc([C@@H]4CC(c5ccncc5)=NO4)cc3)CC2)cc1 28961985 SQILNFKMEMKHIH-VWLOTQADSA-N 398.510 4.270 0 1 GIAF Cc1ccn(-c2ccc(C(F)(F)F)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1 40976901 XQUGABIPVADSEL-UHFFFAOYSA-N 396.372 4.357 0 1 GIAF C[C@@H]1CCCN1CCCOc1ccc(C2=NN(c3ccccc3)C(=O)CC2)cc1 73223318 HEYZSSFLEAIFEF-LJQANCHMSA-N 391.515 4.471 0 1 GIAF CCc1ccc([C@@H]2C[C@@H](NC(=O)NC(C)(C)C)CN(C(=O)C3CCCC3)C2)cc1 114341270 ZNFJCDBBFZBHED-NHCUHLMSSA-N 399.579 4.221 0 1 GIAF CC(C)CCN1CCC[C@H]1C(=O)N1CC[C@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C 218971713 IJQQQMJZOAKLSF-NIRIFSCTSA-N 398.591 4.344 0 1 GIAF O=C(Nc1cc(-c2ccc(Br)cc2)[nH]n1)c1ccc(Cl)nc1 299837969 SZKXQHWSBLSVOH-UHFFFAOYSA-N 377.629 4.140 0 1 GIAF Cn1cc(-c2nc3cccc(I)c3[nH]2)c(C(F)(F)F)c1 587112013 JIVOHJHXRCUYOA-UHFFFAOYSA-N 391.134 4.192 0 1 GIAF C[C@@]1(c2[nH]nc3ncccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348718 RYJYJSMRAHLQSR-PGRDOPGGSA-N 389.386 4.077 0 1 GIAF COc1ccc2c(c1Br)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587374475 YGMJLQSFGJATDX-LJQANCHMSA-N 388.261 4.155 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccc(Cl)cc4)nc1)[C@@H](C2)C3=O 587420942 KFBWREHYTILPMF-OXJNMPFZSA-N 378.815 4.294 0 1 GIAF COc1cccc(-c2nc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cs2)c1 587451466 OKWZMJMUFRYBEY-FOIQADDNSA-N 379.437 4.316 0 1 GIAF COc1cc2c3c(c1)O[C@](C[C@H]1CC[C@@H](C(=O)O)C1)(c1ccccc1)[C@@H](C2)C3=O 587453298 YDLBBRLRXDRPMB-RYTOZOCXSA-N 392.451 4.229 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCCCC(=O)O)c1)CC2=O 587485531 XLELRNNRVJCVOL-HSZRJFAPSA-N 398.455 4.469 0 1 GIAF O=C1C[C@@]2(CCCc3c2cnn3-c2ccccn2)Oc2c1ccc1c2CCCC1 587517763 UMLBXYYYHZKPLR-XMMPIXPASA-N 385.467 4.343 0 1 GIAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC 587524323 LYWSWQMPVPPLOB-HSZRJFAPSA-N 382.456 4.472 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-n2ccnc2)cs1 587610002 BBHCDCQARKNWQN-GHTZIAJQSA-N 390.420 4.342 0 1 GIAF O=C(CSc1nc2ccccc2s1)n1ncc2ccc(Cl)cc2c1=O 587653911 OGSZAEMIWASQDF-UHFFFAOYSA-N 387.873 4.092 0 1 GIAF CNc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1N 587745873 XBUKZGFXLZFAGE-YPMLDQLKSA-N 378.289 4.010 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc3ccccc3n2C)N1 587757603 OXGLSXCTMOVSGQ-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccccn3)nc2)N1 587776024 VQAXXVJFMOTZEU-ZMZPIMSZSA-N 399.267 4.064 0 1 GIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1cn2cccc(Br)c2n1 963093811 BCCAIYDLLJNHRM-RDTXWAMCSA-N 386.268 4.346 0 1 GIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccccc1NC(=O)CCC(=O)O 963224938 FBEWGCHEYNCTPO-OSPHWJPCSA-N 394.515 4.410 0 1 GIAF O=C(O)c1cccc(Cc2c(N3CCCCCC3)nn3cc(Cl)ccc23)n1 1772604917 NEFCROPKPXGIOQ-UHFFFAOYSA-N 384.867 4.052 0 1 GIAF CCCCC(C)(C)[C@H](O)C=C[C@H]1[C@H](CCCCCCC(=O)O)C(=O)C[C@H]1O 2356519875 RQOFITYRYPQNLL-RAUXBKROSA-N 382.541 4.111 0 1 GIAF Cn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(F)c4)c3)CC2)cn1 12053142 RZXKLWZOFHIQPY-UHFFFAOYSA-N 392.478 4.077 0 3 GIAF Cn1c(-c2ccsc2)cc2c(Nc3cccc(S(C)(=O)=O)c3)nccc21 82078476 JKOBHIBJFRAWPQ-UHFFFAOYSA-N 383.498 4.449 0 3 GIAF O=c1oc2ccccc2cc1-c1csc(-c2cc3ccc(O)cc3oc2=O)n1 3658930 NKEQLZRKLSZCPR-UHFFFAOYSA-N 389.388 4.396 0 1 GIAF CC(C)CN(CC(C)C)C[C@@H]1O[C@@H](Cc2cc(C(C)(C)C)on2)CC[C@H]1O 2356381398 LAZQXZQKBXMERN-AQNXPRMDSA-N 380.573 4.037 0 1 GIAF COc1c(-c2cccc(C(F)(F)F)c2)oc2c(CC(=O)O)cccc2c1=O 27185269 COLIRLANVWERBQ-UHFFFAOYSA-N 378.302 4.115 0 1 GIAF O=C(N1CC[C@@]2(c3c[nH]c4ncccc34)C[C@H]12)C1(c2ccc(Cl)cc2)CC1 100617155 KXCFQRTUSWKVDX-AVRDEDQJSA-N 377.875 4.191 0 1 GIAF CN1CC=C(c2c(O)cc(O)c3c(=O)oc(-c4ccccc4Cl)cc23)CC1 25987234 LSQVCIBSOFXBLI-UHFFFAOYSA-N 383.831 4.244 0 1 GIAF CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)c3ccc(O)cc3)[C@@H]1C2 26488585 SXYOONHJOIBMHN-CPLSZEFVSA-N 385.504 4.374 0 1 GIAF C[C@@H](NC(=O)N1CC[C@]1(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1 28475103 YQQLPPRKZSVPOD-KOSHJBKYSA-N 394.515 4.486 0 1 GIAF Cc1cc2c(s1)c1cnn(Cc3c(Cl)ccc(C)c3F)c(=O)c1n2C 36380269 UNAYVWFOTNUFEU-UHFFFAOYSA-N 375.856 4.407 0 3 GIAF CCn1c2ccccc2c2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21 35064601 PPVVJPFMZXETGP-UHFFFAOYSA-N 394.452 4.344 0 1 GIAF Cc1ccccc1[C@@H]1CCc2c(C(=O)NC(C)C)cc3c(nc(C)n3C)c2O1 49088589 ACXGVPVKIDOSSY-FQEVSTJZSA-N 377.488 4.395 0 1 GIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NS(C)(=O)=O)CC[C@]4(C)[C@H]3CC[C@]12C 84687140 KTXPIROOASTZFM-BPNMPVEJSA-N 395.609 4.152 0 1 GIAF Cc1cnc(Nc2ccc(N3CCN(C)CC3)c(F)c2)nc1-c1ccc(F)cc1 84619327 VJUDTDMWBLLODG-UHFFFAOYSA-N 395.457 4.226 0 1 GIAF Fc1ccc(Sc2ncnc3ncn([C@H]4COc5ccccc5CO4)c23)cc1 40392269 BTHZWXRCLLHCBA-QGZVFWFLSA-N 394.431 4.224 0 1 GIAF Cc1ccccc1Cc1n[nH]c2cc(O)c(C(=O)N(C)Cc3ccccc3)cc12 84713155 FDFPYOCFUPYRNC-UHFFFAOYSA-N 385.467 4.440 0 1 GIAF CCCC[C@H](CC)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc(Cl)cc2)C(=O)O1 44418186 JEDIOERZFNMBAO-CJHJKDEHSA-N 394.895 4.161 0 1 GIAF O=C(Nc1ccc(N2CCN(c3ccccc3)CC2)cc1)c1ccc(Cl)nc1 40893585 IYSSBOYNSWOCRB-UHFFFAOYSA-N 392.890 4.314 0 1 GIAF CC1(C(=O)N2CCC3(CC2)CC(=O)NC[C@@H]3c2cccc(F)c2)CCCCC1 257297328 RGUCCDWBVOLMHI-LJQANCHMSA-N 386.511 4.008 0 1 GIAF COc1ccc(NC(=O)N2CCN(C(=O)C(C)(C)C)C[C@H]2c2ccccc2)cc1 653840583 BWUVZONUGAFJJI-FQEVSTJZSA-N 395.503 4.159 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCCCC[C@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433708 UWNDDLRTHVUTJM-JIGPKXGUSA-N 387.476 4.039 0 1 GIAF CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](F)C1 587510884 YVDZIWGLPASRAL-AVRDEDQJSA-N 389.467 4.248 0 1 GIAF COc1ccc(OC)c(-c2nc3ccc(F)c(Br)c3[nH]2)c1OC 587925442 HZOMDILCTNCIDE-UHFFFAOYSA-N 381.201 4.157 0 1 GIAF N[C@@H](Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1cccc2ccccc12 587258938 MYRMYKPVIWRRPY-LBPRGKRZSA-N 391.784 4.372 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc3c(Cl)n[nH]c23)N1 587707846 XGXGMAUGVKKRFN-NXSYQRQQSA-N 395.663 4.137 0 1 GIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1 586931122 WEWZCXMAGPALHF-UHFFFAOYSA-N 379.485 4.414 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3cnn(C)c23)N1 587762650 ZASPAMDYTVOFRQ-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF COc1ccccc1CC(=O)c1nc2cnc(C(F)(F)C(F)(F)F)cc2[nH]1 587929838 MYCSUVONOLKQGC-UHFFFAOYSA-N 385.292 4.046 0 1 GIAF CC(C)COc1cc2nc([C@@H](N)c3ccsc3)[nH]c2cc1Br 587025634 PCEKSKGBTPYLET-HNNXBMFYSA-N 380.311 4.470 0 1 GIAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C=O)c1O 587823709 VOOJNQSLBOJOSS-BMLIUANNSA-N 378.241 4.038 0 1 GIAF CNc1cccc(-c2cccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c2)c1 587233863 WDHSAWDLJGUMLO-UHFFFAOYSA-N 377.469 4.342 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(Cl)c(Cl)cc21 587462995 SLNSLNWRMSRKQL-LJQANCHMSA-N 392.238 4.464 0 1 GIAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@]34CCCc3ccncc34)C2)cc1 962624675 FEIOCMQAVSEAGF-BVAGGSTKSA-N 381.523 4.408 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cc3nccc(Cl)c3s2)N1 963240254 YPAOSLXIEJMUBZ-SJLPKXTDSA-N 395.871 4.186 0 1 GIAF CN1C(=O)C[C@H]2CN[C@@H](c3c(-c4ccccc4)nc4ccccn34)c3cccc1c32 963028287 OWEDTEWMZGRCQF-BXKMTCNYSA-N 394.478 4.144 0 1 GIAF Cc1ccc([C@]2(c3ccc(Cl)nc3)NCCc3c2c(C(C)C)nn3C)cc1 962925149 YBCCGXHDMROAOG-JOCHJYFZSA-N 380.923 4.338 0 1 GIAF COc1cc(C(=O)O)ccc1[C@@H]1CC(C(C)(C)C)=NN1c1ccc(C(=O)O)cc1 1772656994 PRYOWZYJMVPUMQ-KRWDZBQOSA-N 396.443 4.445 0 1 GIAF Cc1ccc([S@](=O)/C=C(\NC(=O)OCc2ccccc2)C(F)(F)F)cc1 5847069 FVARZJLAYAUXBL-UHWXHRANSA-N 383.391 4.433 0 1 GIAF CCCCc1nc(CO)c(Cl)n1Cc1ccc(-c2ccoc2C(=O)O)cc1 13739748 MFQXBPGYIWBJLU-UHFFFAOYSA-N 388.851 4.378 0 1 GIAF COc1cc(-c2[nH]nc3ncc(-c4cc(C)ccc4N)cc23)cc(OC)c1OC 1857544176 AVXBFINVFPFJIB-UHFFFAOYSA-N 390.443 4.208 0 1 GIAF CCc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC)C(=O)N23)s1 1857765593 PYRZRKTWNHDCON-VQIMIIECSA-N 379.485 4.090 0 1 GIAF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cn1 5205486 ITYMRBLTPZHKFY-ZAYGCWILSA-N 386.838 4.132 0 1 GIAF COc1nc(=O)c2c([nH]1)N[C@@H](c1ccccc1)CC(c1ccc(Cl)cc1)=N2 5542968 BZKCCJAWOVQKQV-MRXNPFEDSA-N 380.835 4.110 0 1 GIAF Cc1cccc(N2CNC(=O)C23CCN([C@H]2Cc4cccc5cccc2c45)CC3)c1 26404035 OYPFPMBBUXREEU-QHCPKHFHSA-N 397.522 4.174 0 1 GIAF C[C@@H](Cc1ccc(I)cc1)NCCCc1ccccc1 28225950 NVVHZMXNPUHEAQ-HNNXBMFYSA-N 379.285 4.445 0 1 GIAF CSc1nc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc2o1 28523789 VMWKPNKUIZSITA-UHFFFAOYSA-N 384.505 4.334 0 1 GIAF CCC(CC)Nc1c(C(=O)N(CC)CC)c2nnc(C(C)C)n2c2ncccc12 40872772 IXYFWZVNKBDPRZ-UHFFFAOYSA-N 396.539 4.483 0 1 GIAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCc2ccc(-c3cccc(F)c3)cc2)c1 58591091 YFLMTTKOWRHZTR-OFNKIYASSA-N 391.490 4.126 0 1 GIAF CCOc1ccc(-n2c(C)nc3c(NC(C4CC4)C4CC4)nc(C)nc32)cc1 72122655 UEXNITFRYZVFAP-UHFFFAOYSA-N 377.492 4.432 0 1 GIAF O=C1CCCCCC[C@H]1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F 103204518 SUGFBGNWYQBKTQ-CQSZACIVSA-N 383.819 4.392 0 1 GIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 104076660 BFAOBYWANQEMPL-VFNWGFHPSA-N 396.487 4.248 0 1 GIAF CCc1c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)[nH]c2ccc(Cl)cc12 138163323 MYJJVFCPCDPOSM-KRWDZBQOSA-N 381.907 4.388 0 1 GIAF O=C(NC[C@H](c1ccc(F)nc1)N1CCC(F)(F)CC1)c1ccccc1Cl 207604535 HXZFPUXTLRZDBI-MRXNPFEDSA-N 397.828 4.076 0 1 GIAF Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1N1CC[C@H](N2CCC[C@H]2C)C1 261071577 AEONKHQDKWWIPC-MJCUUPPCSA-N 381.564 4.433 0 1 GIAF Oc1cccc([C@H](O)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 586888091 BEFNTTIZMKVUID-ZDUSSCGKSA-N 387.155 4.132 0 1 GIAF OCCCCCCCCCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 586894361 AXRJXPCTPCSXBF-UHFFFAOYSA-N 387.568 4.441 0 1 GIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cnc3ccccc3c2[nH]1 586972243 FUNMNOHXCISJSI-LJQANCHMSA-N 376.485 4.222 0 1 GIAF Oc1nc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)cs1 587017654 NHEJRFYPGBOJON-UHFFFAOYSA-N 380.145 4.053 0 1 GIAF Cc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1F 587019814 QGXFCSNVFVLYDY-UHFFFAOYSA-N 382.420 4.016 0 1 GIAF Cc1c(Br)cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1C 587118927 SVOXSGFUYXJXJT-UHFFFAOYSA-N 387.203 4.400 0 1 GIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2ncc(Br)cc2[nH]1 587147705 QMWMXTVDZOVWRS-UHFFFAOYSA-N 390.191 4.066 0 1 GIAF COC(=O)c1ccnc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 587148561 CHPARHUOJWEODQ-SFHVURJKSA-N 395.365 4.191 0 1 GIAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4cc(F)cnc4OC)nc3c2)cc1 587175279 AOLHTPOSZFYDON-UHFFFAOYSA-N 393.374 4.352 0 1 GIAF O=C(O)CCN(CCc1nc2cccc(C(F)(F)F)c2[nH]1)Cc1ccccc1 587193404 JMIQMDUASQSHMT-UHFFFAOYSA-N 391.393 4.101 0 1 GIAF Nc1ccc2c(c1)[C@@]1(C=CO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336475 NORJNQGTMHDOCI-FYYLOGMGSA-N 389.382 4.274 0 1 GIAF COc1ncc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551094 CVEOMFQUFZPTRV-QFBILLFUSA-N 383.787 4.152 0 1 GIAF Cn1cc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cn1 587578658 AYHJTYQIIFVWFA-QPPBQGQZSA-N 398.418 4.496 0 1 GIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1OC 587595757 SILWUNFFTXCDPU-WMZHIEFXSA-N 392.407 4.421 0 1 GIAF COc1nccc(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587695262 QRIJCDNJZCUYEN-AYVTZFPOSA-N 385.664 4.269 0 1 GIAF COC(=O)c1ccc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587718780 OFGQVJRVIMTHDZ-VVVCHXIZSA-N 396.231 4.138 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c(F)cc(F)cc32)N1 587738011 JFHCMGDXEBQOTL-YYSFKGJASA-N 398.222 4.427 0 1 GIAF Cc1nc2ccccn2c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587773057 HSIZLPJHSBBMKU-JEOXALJRSA-N 388.284 4.342 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c(O)cccc32)N1 587835717 XRBCIJUARVQXOI-JEOXALJRSA-N 376.269 4.408 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1nc(C)c(C)c1C 587862582 CVRHPTRYJCPPAC-UHFFFAOYSA-N 392.381 4.040 0 1 GIAF COc1c(F)cc(F)cc1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587868031 IHCXNQIIRUVONV-UHFFFAOYSA-N 385.292 4.249 0 1 GIAF COc1ccc(-c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)c(O)c2)cc1OC 587927214 PNEIBPCLINHCCN-UHFFFAOYSA-N 382.807 4.015 0 1 GIAF CCC[C@@]1(c2ccc(F)cc2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962636204 POIWWHRXXUJMRN-BEFAXECRSA-N 397.368 4.367 0 1 GIAF Cc1ccc(CN2CC[C@H](N3CCC[C@H](c4ccc(O)cc4)CC3)C2=O)cc1 1772571626 ZAIRIUOUQPUAPE-REWPJTCUSA-N 378.516 4.071 0 1 GIAF CC(C)c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)n[nH]c1=NC1CCCCC1 1857637498 VTWLYJBFMOATFG-UHFFFAOYSA-N 396.579 4.321 0 1 GIAF Cc1csc(NC(=O)c2cc([C@@H](C)c3cncnc3)cc3cccnc23)n1 1857755188 ZWPZCBGYUSAISS-CYBMUJFWSA-N 375.457 4.194 0 1 GIAF COc1cc(C[C@H](C)N)cc(O)c1-c1c(C)cc(OC)c2c(OC)cccc12 1911583947 OHIXZKQWPFEOQA-AWEZNQCLSA-N 381.472 4.436 0 1 GIAF CC(C)=CCCC(C)=CCCC(C)=CCO[C@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O 2356412632 WNCOHPCRBBRDAX-MJGOQNOKSA-N 396.480 4.051 0 1 GIAF COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4053955 VTHSYEYBJSARJY-FPOVZHCZSA-N 392.480 4.165 0 1 GIAF CC1=N[C@]2(C)C[C@H](/C1=C(\O)OCc1ccc3c(c1)OCO3)c1ccccc1O2 103638278 TXPMOUHFXYRFEJ-WLBJMYBSSA-N 379.412 4.459 0 1 GIAF O=c1cc(-c2cccc3[nH]ccc23)c2ccccc2n1C[C@@H]1CN2CCC1CC2 101668886 IOTQYEJCFAERLM-SFHVURJKSA-N 383.495 4.492 0 1 GIAF CCNC(=O)Nc1nc2cc(N)ncc2cc1-c1c(Cl)cccc1Cl 21289523 SHMZPLWJQVFWLG-UHFFFAOYSA-N 376.247 4.327 0 1 GIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCc2c1cccc2N1CCCCC1 28964698 ZQOHBQZZPJFTBS-LJQANCHMSA-N 375.476 4.362 0 1 GIAF O=c1c2c(ncn2Cc2ccccc2Cl)c2cccnc2n1-c1ccccc1 26732613 WYMACETZNGXBKF-UHFFFAOYSA-N 386.842 4.437 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)c5ccc[nH]5)CC[C@H]4[C@@H]3CC[C@@H]12 45302677 ADCZPIWAYHWQLK-GSVICAJKSA-N 380.532 4.453 0 1 GIAF c1ccc2[nH]c(Nc3ncc(CCNc4ncnc5ccsc45)s3)nc2c1 49126248 CPSQBCZJMZEPOE-UHFFFAOYSA-N 393.501 4.422 0 1 GIAF Cc1ccccc1CNc1ncnc2c1nc(-c1ccoc1)n2C[C@H]1CCCO1 82180240 XAOFJZLNCKWLEG-GOSISDBHSA-N 389.459 4.186 0 1 GIAF CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)cc1 45259240 ARONLZPGCPIMGW-UHFFFAOYSA-N 386.860 4.058 0 1 GIAF COc1ccc(-c2cc(C(=O)N[C@@H]3CCOc4ccccc43)co2)cc1OC 621430219 NMXQSTINIXMGIJ-QGZVFWFLSA-N 379.412 4.217 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587453611 PIKHRZBDAUZSOJ-MHECFPHRSA-N 386.403 4.115 0 1 GIAF CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587612402 UXKSGARWBZVJJR-ADDUERHBSA-N 394.423 4.004 0 1 GIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 587934709 FGVYJXKPQKLKEM-CLAHSXSESA-N 396.672 4.220 0 1 GIAF COc1ccc(-c2nnc(-c3ccc4nc(C5CCC(N)CC5)[nH]c4c3)o2)cc1 587256872 SBAJNWJKYZSECQ-UHFFFAOYSA-N 389.459 4.273 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)CC2=O 587474510 FTGDEBGBZUHRQY-FPTDNZKUSA-N 389.492 4.468 0 1 GIAF C[C@H]1C(C)(C)[C@@H](C(=O)O)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587828162 RYDDFCPZLAUHPK-RJIGXRTESA-N 398.316 4.475 0 1 GIAF CCCCCOc1cc2nc([C@@H](O)C3CCOCC3)[nH]c2cc1Br 586913078 HXGMLNOREPOOMG-KRWDZBQOSA-N 397.313 4.354 0 1 GIAF CC(C)CCOC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587795673 REWGACCBZUXSQT-KZULUSFZSA-N 386.305 4.317 0 1 GIAF COc1ccc(-c2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cc1O 587787243 SRJXYNFDEKTXIS-UHFFFAOYSA-N 386.333 4.372 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nsnc23)N1 587854484 BZWXTYYMZSGGQY-ZKANADHPSA-N 378.270 4.217 0 1 GIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc3c(cc2[nH]1)OCCO3 587044442 BIYOJAUVCOODLG-UHFFFAOYSA-N 381.215 4.325 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCCC2)s1 587615056 VGDOBLSWNGWNOE-FXAWDEMLSA-N 394.452 4.152 0 1 GIAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Br)cc2[nH]1 587065484 ROTGESZJXWYLKS-UHFFFAOYSA-N 395.640 4.379 0 1 GIAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2c(S)nc(S)nc2[nH]1 587149206 HVMFPNXAWSQVPE-ZDUSSCGKSA-N 383.477 4.271 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)nn2C)N1 587762039 CQDNYZZMBXVOEL-BMLIUANNSA-N 380.305 4.243 0 1 GIAF O=C(O)c1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587549611 RWVVGYVIYWGVRU-PXNSSMCTSA-N 396.782 4.447 0 1 GIAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586963236 YPUJBXHVPYDLJJ-RXMQYKEDSA-N 389.790 4.166 0 1 GIAF COc1ccc(C[C@@H](C)c2nc3cc(Br)cnc3[nH]2)cc1OC 587927331 SJWBGFFFQLKGPO-SNVBAGLBSA-N 376.254 4.084 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@@](CC(=O)c3ccccc3)(c3ccccc3)c3cccc1c32 963022443 JELXPXTZJDRSLJ-BCHFMIIMSA-N 396.490 4.257 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1cccc(F)c1F)C(F)(F)F 963054422 IVXHBMKUPJIUQQ-LJQANCHMSA-N 394.343 4.473 0 1 GIAF C[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(N3CCCC4(CCNCC4)C3=O)cc2)C1 1772635982 XRCFSLPGQATEKC-RRPUWOKSSA-N 395.591 4.304 0 1 GIAF COc1cc(/C=C/C(=O)Nc2ccccc2)ccc1OCCCCCN(C)C 1772656092 YXZMDZDIYPWGCC-FYWRMAATSA-N 382.504 4.458 0 1 GIAF O=c1c(-c2cccc(Cl)c2)cn(C2CC2)c2cc(N3CCNCC3)c(F)cc12 1772644921 KGAHCNLRWMOFRW-UHFFFAOYSA-N 397.881 4.206 0 1 GIAF CNCC[C@H](Oc1ccc(C)cc1I)c1ccccc1 13730741 QVHODKIQDZTTFR-INIZCTEOSA-N 381.257 4.329 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cnc2ccccc2c1 166824347 JLVSTKJHYYRFLD-DNVCBOLYSA-N 376.456 4.362 0 1 GIAF CN(C)c1ccc(-c2ccc3c4[nH]ncc4c(=O)n(CC(F)(F)F)c3c2)cc1 205096589 FQLAFUHSSHTJSZ-UHFFFAOYSA-N 386.377 4.173 0 1 GIAF O=C(O)c1ccc(-n2cc(-c3cccc(NCCc4ccccc4)c3)nn2)cc1 1857603444 LBEBSMBJSDVHSM-UHFFFAOYSA-N 384.439 4.287 0 1 GIAF O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1ccsc1 774997 LXJAOERXBBLWAX-CVEARBPZSA-N 386.448 4.243 0 1 GIAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](CO)[C@@H](C)CC)cc1 775673 XJZOWDDNTIIMFO-WMLDXEAASA-N 388.508 4.175 0 1 GIAF COCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1OC 2482156 NRVJXEXLMKNRDL-UHFFFAOYSA-N 386.835 4.047 0 1 GIAF Cn1cccc1C(=O)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2 3955723 SRYDGBDFOYHQSW-UHFFFAOYSA-N 399.538 4.353 0 1 GIAF CCC[C@H](CO)NC(=O)c1cnc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)n1 13979851 IIWGHQKHUOSNND-HXUWFJFHSA-N 389.499 4.318 0 1 GIAF CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)CNC2=O)c2ccccc21 14943780 HJPXCQGPIFXKKR-UHFFFAOYSA-N 398.510 4.115 0 1 GIAF Clc1ccc2[nH]nc(NC3CCN(Cc4ccc5c(c4)OCCO5)CC3)c2c1 28529672 BCPYDPOPHGIAPR-UHFFFAOYSA-N 398.894 4.064 0 1 GIAF O=C(O)CCCCCCN1C(=O)CC[C@H]1CC[C@@H](O)Cc1cccc(Cl)c1 28571123 NGRWIKNLASBEQP-RTBURBONSA-N 395.927 4.050 0 1 GIAF Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CCC2=CCCC2)c1 43077402 XGDQUQMDXDXYEF-UHFFFAOYSA-N 380.488 4.008 0 1 GIAF O[C@H](c1ccccc1)[C@@H]1CN(CCc2ccccc2)CC[C@]1(O)c1ccccc1 45201806 GCIDVMBGOFFCEG-NXCFDTQHSA-N 387.523 4.172 0 1 GIAF COc1cc(Nc2ncn(Cc3cccc(Cl)c3)n2)ccc1-n1cnc(C)c1 95578243 UIBQETXMUJDBAM-UHFFFAOYSA-N 394.866 4.226 0 1 GIAF O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3ccc(Cl)cc3Cl)c2o1 96271889 KBMRILYJLACQHU-UHFFFAOYSA-N 396.157 4.189 0 1 GIAF N#C/N=c1/c2ccccc2nc2n1CC/C2=C\c1ccccc1Br 101010279 RRAIFXCPCLLRNH-ZDFGYQKHSA-N 377.245 4.125 0 1 GIAF Nc1ccc2c(c1)c(OCc1cccc3ccccc13)nn2CCN1CCCC1 103263963 INOMZYFNGDZFSD-UHFFFAOYSA-N 386.499 4.447 0 1 GIAF CC1=C(c2nc(-c3cccc(C#N)c3)cs2)[C@H](c2cccc(O)c2)NC(=O)N1 145334468 VSBVYODCCVYQEU-IBGZPJMESA-N 388.452 4.172 0 1 GIAF CCCS(=O)(=O)N[C@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205709652 XVKJEFIEIYSCID-KRWDZBQOSA-N 384.423 4.084 0 1 GIAF COc1ccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc2c1 587064086 MBMUMLPPEACOBY-UHFFFAOYSA-N 395.846 4.133 0 1 GIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(Br)c(F)c2[nH]1 587070596 SBCVMUMCPXUUPW-SNVBAGLBSA-N 382.664 4.403 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1 587111392 BQRLPCBGAVTHSP-UHFFFAOYSA-N 397.422 4.327 0 1 GIAF O=C1C[C@@H](c2nc3cc(Cl)c(F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587150970 WOLXAONGSQGNHR-SNVBAGLBSA-N 379.769 4.150 0 1 GIAF CC[C@H](C)n1ncc(I)c1-c1nc2c(F)cc(C)cc2[nH]1 587181131 NCLBTBQZBWAMAD-VIFPVBQESA-N 398.223 4.450 0 1 GIAF Cc1ccc(-c2nc3ncccn3c2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587394493 WICPLNLRKICLRS-LJQANCHMSA-N 384.439 4.302 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(Nc3cccnc3)nc1C)O2 587411676 FREPWJGMYVZZGZ-FQEVSTJZSA-N 380.473 4.361 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4cc(Br)ccc4C[C@@H]1C)[C@@H](C2)C3=O 587419002 RADLLWPBFDHCNG-JFAKPTSDSA-N 385.257 4.293 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(N4CCC(C)CC4)ccc1N)[C@@H](C2)C3=O 587438292 OIWRLLKNBVYHMN-CYFREDJKSA-N 392.499 4.177 0 1 GIAF CCOc1ccc([C@@]2(c3ccco3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587455246 KWFULGJUFPRXRV-WZONZLPQSA-N 376.408 4.378 0 1 GIAF CCCCCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587578513 APGSIFMBJLIMFP-KNQAVFIVSA-N 378.428 4.482 0 1 GIAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1CN1CCN(C)CC1 587628199 PFIDCZVZIJFWST-UHFFFAOYSA-N 379.348 4.261 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]ccc2Br)N1 587680738 QAZKHSZZLFWLGR-UOWDBTKRSA-N 388.078 4.302 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(OC)n1 587859546 ZAYTWGXKUKXEAI-UHFFFAOYSA-N 392.242 4.348 0 1 GIAF Brc1c[nH]c2nc(Cc3ccccc3Oc3ccccc3)nc-2n1 587948659 HOVSYFGGAVRFNJ-UHFFFAOYSA-N 381.233 4.450 0 1 GIAF Cn1ncc2c1CC(C)(C)C[C@]21c2cccc(F)c2CCN1[C@@H]1CCSC1 962698908 DBPKUBNWTKLFDK-QRQCRPRQSA-N 385.552 4.139 0 1 GIAF CCC[C@@]1(c2cc3c(cc2N)OCCO3)N[C@H](CC)Cc2c1[nH]c1ccccc21 962955163 XRPCVWOVGAJXIE-MYYSRTQBSA-N 391.515 4.489 0 1 GIAF O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774584 BDTWWPAKBITJJF-HOTGVXAUSA-N 386.835 4.288 0 1 GIAF CN[C@H]1CCc2ccc(-c3cc(O)c4cc(-c5cnco5)c(OC)cc4n3)cc21 13487621 RDIPHNSKCWONAH-SFHVURJKSA-N 387.439 4.478 0 1 GIAF COc1ccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)cc1 13725216 GVKBODHQLMQIMM-UHFFFAOYSA-N 397.519 4.272 0 1 GIAF CSc1ccc(CC(=O)C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 13862160 UOPCSZLTIUDAEU-UHFFFAOYSA-N 390.460 4.308 0 1 GIAF C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H](c2ccccc2)[C@@H]1C(=O)c1ccccc1 16041737 OAYJGVAWFFIKCD-JNFFJFACSA-N 382.463 4.109 0 1 GIAF biogenic COC(=O)CCCCCCCCCCC(=O)NCc1ccc(O)c(OC)c1 26404282 MQYJOOIKJRKXGA-UHFFFAOYSA-N 379.497 4.091 0 1 GIAF Cc1ccc(C)c(Cn2cnc3c4cccnc4n(-c4ccccc4)c(=O)c32)c1 26727082 OJHLXHAUQZIFMY-UHFFFAOYSA-N 380.451 4.401 0 1 GIAF CCCCc1ccnc(NC(=O)C2(C[C@H](CCOC)C(=O)O)CCCC2)c1 28642407 LZQQBLZDXZIRRO-KRWDZBQOSA-N 376.497 4.051 0 1 GIAF CN1CCC[C@@H](CN2c3ccccc3Sc3cc(N4CCOCC4)ccc32)C1 28821645 FZAIKTLYRKPDGL-GOSISDBHSA-N 395.572 4.468 0 1 GIAF O=C(CCCCSc1nc(-c2ccccc2)cc(=O)[nH]1)Nc1ccccc1O 29053675 ZSFOPIJSQNCWJM-UHFFFAOYSA-N 395.484 4.044 0 1 GIAF CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1F 43013136 WDRJOPIFDXFXRZ-UHFFFAOYSA-N 394.490 4.254 0 1 GIAF CCOC(=O)c1ncn2c1Cc1cnc(-c3ccccc3)nc1-c1ccccc1-2 45259580 DGSIOKGJBGEDNB-UHFFFAOYSA-N 382.423 4.077 0 1 GIAF COc1cc(CNc2nc(C)cc(NC3CCCCC3)n2)cc(OC)c1OC 45367407 PWGABFFTYSZIDV-UHFFFAOYSA-N 386.496 4.168 0 1 GIAF Cc1ccc(C(=O)c2nc(NCCc3ccccn3)nc3ccsc23)s1 48999173 WBCAKXYDAUCZDG-UHFFFAOYSA-N 380.498 4.342 0 1 GIAF Fc1cc(Cl)ccc1[C@@H](c1cncnc1)N1CCN(c2ccccc2)CC1 72102077 VGLIEVGUGNTURZ-OAQYLSRUSA-N 382.870 4.181 0 1 GIAF CC[C@@H](C)c1nc2nc(N3CCC(Cc4ccccc4)CC3)ccc2[nH]c1=O 82231686 OIVJJLAPXCPSBH-MRXNPFEDSA-N 376.504 4.291 0 1 GIAF O=C(C1=C[C@@H](C2CC2)C[C@@H](OCc2ccc(CO)cc2)O1)N1CCCCCCC1 95783797 IKBVGOKCUPCPLC-GGAORHGYSA-N 399.531 4.145 0 1 GIAF COc1ccc(OC)c([C@@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3ncnn32)c1 103531175 MLFXRXWFGGHJKE-LFVOPCPISA-N 398.463 4.110 0 1 GIAF Cc1cnccc1-c1nccnc1O[C@H]1C[C@H](Nc2nc3ccccc3s2)C1 145901131 IRUDNHDHZDAAPP-GASCZTMLSA-N 389.484 4.479 0 1 GIAF N#Cc1ccc(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)cc1 167064933 SQRJWPSFVZOFSJ-UHFFFAOYSA-N 382.423 4.358 0 1 GIAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@@H](c2ccc(F)nc2)NC(=O)N1 206329013 CLPACMYWDODQTI-GOSISDBHSA-N 391.431 4.001 0 1 GIAF Cc1nnc2sc(C(=O)NCc3cccc(-c4ccccc4)c3)c(N)c2c1C 221822409 NDTJGQYLIULFNC-UHFFFAOYSA-N 388.496 4.487 0 1 GIAF CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(CBr)CC[C@@H]3[C@@H](CC(=O)O)C(=O)O[C@@]23C1 299873043 CWCXONZIEDNVKI-LFYWUJSCSA-N 399.325 4.010 0 1 GIAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)cc1 299879699 LCLONUGBCWKLHY-XYKCXJIGSA-N 397.471 4.011 0 1 GIAF O=C1c2ccccc2-c2cc(CSc3nncs3)nc3ccc(O)c1c23 586994577 XJZAPVGUBPWLNG-UHFFFAOYSA-N 377.450 4.296 0 1 GIAF Cc1cc(F)c2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc2c1 587000973 PTGZGXVXEBHOHD-AWEZNQCLSA-N 387.256 4.497 0 1 GIAF O=C(O)c1cc(F)cc2nc(COc3ccccc3C3SCCS3)[nH]c12 587043073 XXKCRKGQKIICFG-UHFFFAOYSA-N 390.461 4.458 0 1 GIAF CN(C)CCOc1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134587 NHTCOPIAVZRNTI-GQCTYLIASA-N 397.347 4.369 0 1 GIAF COc1cccc(-c2cc(F)cc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2)c1 587160196 LLAVHALAAMYMEW-UHFFFAOYSA-N 389.386 4.376 0 1 GIAF CCOc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1F 587384666 HIUWDVJBKYFPAJ-LJQANCHMSA-N 381.407 4.212 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(F)cc(Br)cc31)O2 587386288 JAICTYSBCWCNNF-SFHVURJKSA-N 392.224 4.122 0 1 GIAF COc1cc2c3c(c1)O[C@](CCC(C)=O)(c1ccc(SC)cc1)[C@@H](C2)C3=O 587449877 FFWSDVUKUMGRMJ-PGRDOPGGSA-N 382.481 4.429 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)n1 587549830 YLJATDBLIZVZAC-QFBILLFUSA-N 398.212 4.253 0 1 GIAF CCCC[C@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597521 QTGCWOBSFRFSFX-SIKLNZKXSA-N 384.428 4.236 0 1 GIAF C[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606205 CHCHSAAMUJQVHW-NZQKXSOJSA-N 390.391 4.040 0 1 GIAF O=C(c1cc(F)cc(F)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655307 BFIYAZDDLGOPJS-UHFFFAOYSA-N 398.315 4.308 0 1 GIAF COC(=O)c1ccc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587715471 HUOBRLBPJYVLAP-XLFHBGCDSA-N 396.231 4.138 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(F)F)([C@H]2CCCCC2=O)N1 587720216 SDRZZLPGJKFVAU-NVTQBHAOSA-N 390.243 4.342 0 1 GIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 587785339 NCOKAJMWZUMGSV-NWDGAFQWSA-N 389.224 4.408 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-c3ncon3)c2)N1 587799243 XKSQODGYTLRENK-BTDLBPIBSA-N 388.240 4.262 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(O)c1 587863874 CORDSOCLUCSOKY-UHFFFAOYSA-N 376.334 4.362 0 1 GIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(F)cc(Br)c3[nH]2)cc1 587934398 DJXJQNXAZBSLFK-ABKXIKBNSA-N 379.229 4.310 0 1 GIAF Cc1c(F)ccc2c1[C@@]1(C=C[C@@H]3CN(C(=O)c4ccccc4)CC[C@H]3C1)NCC2 962380631 XKPLDCYMICHWHH-BKSPAHHJSA-N 390.502 4.214 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@H](c2csc(Br)c2)N1)C(F)(F)F 962719120 XKBAOIYEDBUTIW-AAEUAGOBSA-N 390.224 4.246 0 1 GIAF CC1=C[C@@]2(NCCc3c2sc(C)c3C)c2cc(Cl)ccc2N1CC(=O)O 963016457 KYAKQWFMZMCKDY-HXUWFJFHSA-N 388.920 4.216 0 1 GIAF COc1cc([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c(Br)cc1O 963103796 LOSRIQUKUNZUOP-YJYMSZOUSA-N 392.268 4.412 0 1 GIAF O=C(O)c1cccc2c1CCN[C@H]2c1nc2ccccc2n1Cc1ccccc1 963134987 VDWKKNHPJJCJHF-JOCHJYFZSA-N 383.451 4.018 0 1 GIAF COC(=O)c1ccc2c(c1)CCCC[C@@]21NCC(C)(C)c2ccc3c(c21)OCO3 963391493 UXMWYIAXGUWUCK-XMMPIXPASA-N 393.483 4.053 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1coc2cc(C)c(C)cc2c1=O 963632621 GELFOBWQTLEDPX-PEBXRYMYSA-N 379.456 4.051 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(C)n(-c2nccs2)c1C 963665120 GGWVVXSPGCACPS-ODXCJYRJSA-N 383.517 4.191 0 1 GIAF COc1ccccc1[C@@]1(CCc2ccc(C)cc2C)c2nn(C)cc2CCN1C 963954817 LWTCZWBSGHRZOM-VWLOTQADSA-N 389.543 4.410 0 1 GIAF CCCOc1cccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)no2)c1 1857768248 DUFHKXGTPVPYPS-UHFFFAOYSA-N 388.370 4.087 0 1 GIAF O=C(O)C[C@H]1CCN(C2CCC(F)(F)CC2)C[C@H]1Cc1nc2ccccc2[nH]1 2356309711 GOMHTPLPWCVBEK-HUUCEWRRSA-N 391.462 4.096 0 1 GIAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCc2ccccc2C1 2356382180 PDANKNOOEWCRBR-CYBMUJFWSA-N 382.847 4.247 0 1 GIAF CC(=CCC[C@]1(C)C=Cc2c(O)cc(C)c(C=O)c2O1)CC[C@@H](O)C(C)(C)O 2356789009 CUBOHSIABUSNJM-NFBKMPQASA-N 388.504 4.316 0 1 GIAF COc1cc(Nc2cnc3cc(C(F)(F)F)ccc3n2)cc(OC)c1OC 1625160 LNDLETDVHBPYRV-UHFFFAOYSA-N 379.338 4.418 0 1 GIAF CC(=O)OC[C@H](CCO)CC[C@@]1(C)[C@@H]2CCC=C(C(=O)O)[C@@]2(C)CC[C@H]1C 2356448045 NHICXBFHDXVLOW-VWDMSMLESA-N 380.525 4.192 0 1 GIAF COc1cc(Nc2ncc(-c3ccccc3C(=O)O)o2)ccc1-c1cnco1 3594938 SOSWPLFCASAFIW-UHFFFAOYSA-N 377.356 4.447 0 1 GIAF CCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)O[C@@H]1N2C 3814007 ZOBDWFRKFSPCRB-UNMCSNQZSA-N 381.476 4.161 0 1 GIAF investigational CCc1cc(-c2ccc(C(=O)CCC(=O)NCc3cccnc3)cc2)ccc1O 29123335 VQDWYKLBGDZXFR-UHFFFAOYSA-N 388.467 4.296 0 1 GIAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@@H](O)Cc1cccc(Cl)c1 28571125 NGRWIKNLASBEQP-RBUKOAKNSA-N 395.927 4.050 0 1 GIAF O=C(N[C@@H]1CCN(CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2 26495763 BDIRBTIHOFXWTG-RXXSEBCPSA-N 386.967 4.289 0 1 GIAF COc1cc(Cl)ccc1O[C@]1(C)CCN(Cc2cccc(OC)c2OC)C1 61927075 HYUHLUNMVFGYNI-OAQYLSRUSA-N 391.895 4.409 0 3 GIAF O=S(=O)(N[C@H]1[C@@H]2CC[C@@H]1Cc1cc(F)ccc1C2)c1ccc(Cl)s1 101027759 WXZPJLSSIKLDLT-QFSBIZTOSA-N 385.913 4.013 0 1 GIAF O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@@H]1c1ccc(F)cc1 103211740 KNNCHUHRDAXEHB-HXUWFJFHSA-N 385.402 4.089 0 1 GIAF CCCN(Cc1ccc(S(=O)(=O)NCc2ccccc2C)cc1)CC1CC1 28972850 ZXBIDGKWGBFABB-UHFFFAOYSA-N 386.561 4.096 0 1 GIAF CC(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@H](C(=O)COC(=O)C=Cc3ccccc3)[C@@H]12 2356656208 FAXXBSGOEYEFII-OMDOPDFPSA-N 384.516 4.272 0 1 GIAF C[C@H](C=CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 2356853362 RFZOTNNDUHYGNN-QVJCARKASA-N 390.564 4.254 0 1 GIAF COC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc3c(c2)OCO3)cc1)n1ccnc1 71315819 BKFCTFAONAURHH-HXUWFJFHSA-N 393.443 4.144 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 34009960 GNWBLLYJQXKPIP-VKDXLEEUSA-N 388.596 4.334 0 1 GIAF O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1cccnc1 1911581297 QWDLOEYZMFNYAK-UHFFFAOYSA-N 384.226 4.350 0 1 GIAF Cc1nc2cccc(-c3[nH]c4c(c3Cl)C(=O)N[C@@H]4C)c2nc1NC1(C)CC1 222358012 AZVAKSGTTHXSPK-SECBINFHSA-N 381.867 4.356 0 1 GIAF Cc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccc(F)nc4)nc3)cn12 43063453 IQEVMZZVGFVMJN-UHFFFAOYSA-N 387.418 4.369 0 1 GIAF Cc1ccc(NC(=O)c2ccc(N3CCN(c4ccncc4)CC3)cc2)cc1F 45192422 CLGVGYTWSHYONA-UHFFFAOYSA-N 390.462 4.108 0 1 GIAF c1ccc2nc(N3CCC(Oc4nccnc4N4CCCCC4)CC3)ccc2c1 96168698 IDLCPIXJXAMOEF-UHFFFAOYSA-N 389.503 4.063 0 1 GIAF O=C(NC1CCCCC1)[C@H](Cc1ccccc1)n1c(=O)[nH]c2cc(Cl)ccc21 96271921 PYBNFOLOUUXRTM-FQEVSTJZSA-N 397.906 4.216 0 1 GIAF O=c1c2cc(OCCCN3CCCCCC3)ccc2nc2n1Cc1ccccc1-2 299830709 PAUUUEWXSGQDRD-UHFFFAOYSA-N 389.499 4.070 0 1 GIAF CN=c1[nH]c(=NC(C)(C)C)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 473082825 ABHUIQADPNIVON-UHFFFAOYSA-N 380.439 4.473 0 1 GIAF COc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1F 587657914 DLAVYDMXRGQCPB-UHFFFAOYSA-N 392.361 4.039 0 1 GIAF CCCn1nc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587757560 ORIUMBBCIPJIJJ-MLCYQJTMSA-N 380.305 4.435 0 1 GIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587927870 VNPRYGXWIYKFKL-LLVKDONJSA-N 376.359 4.444 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C(=O)O)N1 587827945 MDJPFTWCCNICQV-BLVKFPJESA-N 392.268 4.035 0 1 GIAF CC[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587703117 FTCZETGYYDWRQR-XLKFXECMSA-N 382.195 4.249 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccncc2)N1 587757467 VSBVNQZNSJSLFT-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF Cc1nc(O)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587378518 VZDZEQRIDZOOHB-JXFKEZNVSA-N 385.416 4.276 0 1 GIAF CCOc1ccccc1[C@@](N)(c1nc2cnc3ccccc3c2[nH]1)C(F)(F)F 587091213 CCNCPSGKQGNNTO-LJQANCHMSA-N 386.377 4.274 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc[nH]c2)(C(F)(F)F)N1 587711184 WJCITGVTQSOTFQ-XLKFXECMSA-N 377.179 4.256 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4ccc(O)cc41)[C@@H](C2)C3=O 587452288 KNKUQLZQKCOXAC-UQBPGWFLSA-N 398.414 4.477 0 1 GIAF Cn1cc(-c2c(C(F)(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)cn1 587622107 XIFJHHJMNHEOCA-UHFFFAOYSA-N 384.159 4.226 0 1 GIAF COC(=O)c1ccccc1[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587400366 RELCCTPFBYUPEJ-XMMPIXPASA-N 387.435 4.273 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Cl)cs1 587869982 WUWMJRIBHDQQGJ-UHFFFAOYSA-N 387.770 4.376 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ncon3)cc2)N1 587794629 NKGBWEKDVNMXBC-DYZYQPBXSA-N 388.240 4.262 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)CC)c(OC)c1)CC2=O 587478918 KZEVJBOQHXATMI-IBGZPJMESA-N 384.428 4.375 0 1 GIAF O=C(c1ccccc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655759 QHWVFSIYSRUMSM-UHFFFAOYSA-N 380.325 4.169 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccnc2c1O 587589529 XQRIXROGFOGUQY-MBSDFSHPSA-N 385.375 4.349 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443696 XFDFAWGWGFFWAO-JPXDGAFASA-N 386.488 4.207 0 1 GIAF COc1ccc([C@@H]2NCCc3cc4cccc(OC)c4nc32)c(Br)c1 963062985 YSVWKJFITHCTNW-FQEVSTJZSA-N 399.288 4.250 0 1 GIAF COc1cccc2cc3c(nc12)[C@@H](c1csc(-c2ccc(N)cc2)n1)NCC3 963035160 MBRNQKHMWMAPCM-OAQYLSRUSA-N 388.496 4.184 0 1 GIAF CN1CCc2cnn(C)c2[C@H]1c1sc(Sc2ccccc2)nc1Cl 963956605 ZBBYUCWBXXYNEW-AWEZNQCLSA-N 376.938 4.259 0 1 GIAF O=C(C[C@]1(O)CC[C@@H](Cc2ccc(F)cc2)CC1)Nc1ccc2nc(O)oc2c1 1772656593 KQKYIUVHVBZFBO-FVUUGDKNSA-N 398.434 4.165 0 1 GIAF COC(=O)[C@@H](c1ccccc1)N(Cc1cccc(OC)c1)C(=O)c1ccccc1 1772599514 IJHZFCYJHLQSFC-JOCHJYFZSA-N 389.451 4.252 0 1 GIAF CCN(CC)CCCOc1ccc(/C=C/C(=O)Nc2ccccc2)cc1OC 1772615581 MIVXLVIUXDGSMV-FYWRMAATSA-N 382.504 4.458 0 1 GIAF CCCc1ncc(Cc2ccc3c(c2)oc(=O)n3C)c2cc(OC)c(OC)cc12 1772596331 WUJMTDCFQYYEOY-UHFFFAOYSA-N 392.455 4.240 0 1 GIAF O=C(O)[C@H](Cc1cccc(-c2ccc(-c3ccccc3)cc2)c1)P(=O)(O)O 1772571794 FLGVCWFFKHVGHY-FQEVSTJZSA-N 382.352 4.194 0 1 GIAF Oc1cccc(C[C@@H](c2cccc(O)c2)N2CCN(C3CCCCC3)CC2)c1 169317913 GRCATKPHHRQNOX-DEOSSOPVSA-N 380.532 4.332 0 1 GIAF CCCCCCC(=O)NCc1ccc(OC[C@@H](O)CNC(C)(C)C)c(Cl)c1 169336698 KFZPTSIYDQNXJU-KRWDZBQOSA-N 398.975 4.054 0 1 GIAF O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3ccc(Cl)cc3S(=O)(=O)[C@H]12 169715429 FSRXQPRYYHOMBW-ZMZPIMSZSA-N 394.279 4.369 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=C[C@H](O)[C@@]21C 33820939 MHMJDFLOHGJHIJ-UMNDTTGPSA-N 388.548 4.318 0 1 GIAF COC(=O)C[C@@H](c1ccccn1)[C@@H](C(=O)N(C(C)C)C(C)C)c1ccccc1 34986500 BSUSJWAHOYFFOL-UGKGYDQZSA-N 382.504 4.158 0 1 GIAF O=C(Nc1ccccc1)N1CCN(Cc2ccc3cccc(Cl)c3n2)CC1 38252771 CFHGZZMEPHYCHM-UHFFFAOYSA-N 380.879 4.238 0 1 GIAF CC(=O)c1ccc(N2CCN(Cc3coc(-c4ccc(C)cc4)n3)CC2)cc1 43566453 CMSMYFIJDTZVLH-UHFFFAOYSA-N 375.472 4.175 0 1 GIAF O=C1C(=O)N(c2cccc(Cl)c2Cl)CCN1Cc1ccccc1Cl 95566064 HSVBNGCQUNARQR-UHFFFAOYSA-N 383.662 4.022 0 1 GIAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C3CC3)nn12 96933393 FIZKIVGFRFWFSS-UHFFFAOYSA-N 377.231 4.174 0 1 GIAF CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1 103539733 YUVGFXBITFCLLU-LJQANCHMSA-N 386.879 4.007 0 1 GIAF c1ccc(-c2csc3ncnc(N4CC[C@@H](OCCN5CCCC5)C4)c23)cc1 146488017 VTXGDPCPKCDIDT-GOSISDBHSA-N 394.544 4.049 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169713957 GNWBLLYJQXKPIP-DRUIJDEBSA-N 388.596 4.334 0 1 GIAF Cc1ccc(-c2noc(C3(F)CCC3)n2)cc1NC(=O)c1cnc2ccccn12 206114728 AHFSNECLZXPMJX-UHFFFAOYSA-N 391.406 4.294 0 1 GIAF C[C@H](CC[C@@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@H]1C)CC(=O)OC(CO)CO 238752007 BJLPMYREWUOTSW-ZLFGVDQTSA-N 380.569 4.488 0 1 GIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 586930638 NLDBZKJTGZHFFL-UHFFFAOYSA-N 381.860 4.053 0 1 GIAF COc1cc2nc([C@@H](CSCc3ccccc3)NC(C)=O)[nH]c2cc1Cl 586971989 CSVPNXYIGGYZOY-QGZVFWFLSA-N 389.908 4.336 0 1 GIAF CC(C)(Oc1ccc(Br)cc1)c1nc2c(S)nc(S)nc2[nH]1 586997389 WKGJYIWQAXHZQM-UHFFFAOYSA-N 397.323 4.007 0 1 GIAF Brc1cc(/C=C/c2nc3cc4cn[nH]c4cc3[nH]2)cc2c1OCCO2 587000623 IWOVNJXKSOPCIE-OWOJBTEDSA-N 397.232 4.143 0 1 GIAF O=C(Nc1nc(Cc2nc3ccc(Cl)cc3[nH]2)cs1)c1cccc(O)c1 587018976 COYKEYOFKNNTTI-UHFFFAOYSA-N 384.848 4.222 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc2c1 587113972 PUWKWYABBTVAIV-ZDUSSCGKSA-N 397.784 4.264 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(C)ccnc4[nH]3)cc2F)c1 587143515 GUJWSCKECGWIGN-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF Cc1ccc(NC2(c3nc4ccc(S(=O)(=O)N(C)C)cc4[nH]3)CCCC2)cc1 587237786 XGWZZNXHVVUUQX-UHFFFAOYSA-N 398.532 4.003 0 1 GIAF O=C1CC[C@H]2C[C@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348544 DGCBDXYTRHNRML-USYHLRJESA-N 380.415 4.408 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(Br)cc(C)cc31)O2 587374066 WZFSXCWDEDAOTL-IBGZPJMESA-N 388.261 4.291 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(O)c1)(c1cc(Cl)ccc1N)O2 587379472 VCOWZNIQUMVBOV-QFIPXVFZSA-N 394.858 4.427 0 1 GIAF CCn1ncc([C@@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587516360 CHBDSKPKXGUHBE-WHIOSMTNSA-N 379.504 4.026 0 1 GIAF CN(C)c1cc(F)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570035 UCRHJUZBQBIWMO-REWPJTCUSA-N 393.414 4.474 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2N(C)C)N1 587753503 HJYPTIXIRDRQPH-BUXKBTBVSA-N 377.301 4.452 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccccn2)N1 587773275 QAKRKVUIDPJOIH-VOJFVSQTSA-N 377.257 4.006 0 1 GIAF COc1cncc(CC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587776028 VQBDMMXKDKCBFX-ZMZPIMSZSA-N 379.273 4.200 0 1 GIAF CCOC(=O)C[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587792737 CPRWONKSYSEOHR-PTAUBWNISA-N 398.316 4.461 0 1 GIAF COCc1ccc(OC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587803567 XIEHBTBSSWZYFH-JEOXALJRSA-N 394.284 4.367 0 1 GIAF CCOc1cc(-n2nc(-c3ccc(C(F)(F)F)cc3)cc2OCC)ncn1 587866159 WFEJAAWKJIYNHQ-UHFFFAOYSA-N 378.354 4.146 0 1 GIAF Cc1cc2c(cc1F)[C@]1(NCC2)C(Br)=COc2ccc(F)cc21 962369782 AYKYDGLOTCIDSO-GOSISDBHSA-N 378.216 4.291 0 1 GIAF COc1cccc(Cl)c1[C@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962764314 LMHNACOQDBZDOZ-RDTXWAMCSA-N 383.797 4.258 0 1 GIAF CC(C)c1nn(C)c2c1[C@H](C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)NCC2 962920548 NEONIHNWJGVIAT-GOEBONIOSA-N 378.561 4.060 0 1 GIAF Cc1sc2c(c1C)CCN[C@H]2c1sc(Br)c2c1OCCO2 963029397 RTDFUSYAAIXIDO-SNVBAGLBSA-N 386.336 4.195 0 1 GIAF CC(=O)[C@H]1CCc2ccccc2[C@]12c1cccc(Br)c1CCN2C 963289435 NACVHEQNUQEXQF-UTKZUKDTSA-N 384.317 4.332 0 1 GIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@H](OC(C)=O)CC[C@H](C)[C@@]12C 2356378984 DFIGTEZNNCEPNY-NAPSZCBQSA-N 388.460 4.319 0 1 GIAF Cc1nonc1NC(=O)CSc1nc(CCC2CCCC2)nc2ccccc12 1356010 PHBLPXWBAAEPIC-UHFFFAOYSA-N 397.504 4.175 0 3 GIAF CN1C(=O)[C@](C)(Cc2ccc(F)cc2)N(C(=O)OC(C)(C)C)[C@@H]1C(C)(C)C 6004265 SZANBVCORZWWOX-IERDGZPVSA-N 378.488 4.208 0 1 GIAF Fc1cc(-c2conc2-c2ccccc2)cc(-n2nnc(-c3ccccn3)n2)c1 28396668 KXUHGWFVJOJSEM-UHFFFAOYSA-N 384.374 4.185 0 1 GIAF C[C@@H]1CC[C@@H]2[C@H](O)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC=C4C[C@H](O)CC[C@]45C)[C@@H]3CN2C1 2356505957 VJYPILHMXGYWKP-BRKHEKSWSA-N 399.619 4.237 0 1 GIAF CCOC(=O)C1=C(CC)N=C2CCCC(O)=C2[C@@H]1c1ccc(OC)c(OC)c1 103351566 KVPKMQPBGSSMOO-IBGZPJMESA-N 385.460 4.465 0 1 GIAF Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1 29129898 YEPNVBNYCRGZRX-UHFFFAOYSA-N 390.422 4.309 0 1 GIAF CC(=O)NCCOc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2 114978305 LCIAXVNSMNPRDL-QFIPXVFZSA-N 398.934 4.164 0 1 GIAF COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cn1 117420592 RTGVPSAXYOKKJK-UHFFFAOYSA-N 377.423 4.012 0 1 GIAF O=C(O)C1=CN(CCOCCC2c3ccccc3CCc3ccccc32)CCC1 26271757 QKEYKXVKPFUMCG-UHFFFAOYSA-N 391.511 4.388 0 1 GIAF C[C@]12CC[C@H](O)[C@](C)(C(=O)O)[C@H]1CC(=O)c1cc3[nH]c4ccccc4c3cc12 2356803234 WVXOQWYNERVPNC-JFJDKTSWSA-N 377.440 4.027 0 1 GIAF COc1ccc(SCc2nnc(-c3ccc4[nH]cnc4c3)s2)cc1OC 72317049 ZONFSXMNDBXNOQ-UHFFFAOYSA-N 384.486 4.391 0 1 GIAF COc1c([C@H](O)CC(C)C)ccc(Oc2c(O)cc(C)cc2C=O)c1C(=O)O 14721423 BMVVUSNXBMJARY-OAHLLOKOSA-N 388.416 4.092 0 1 GIAF biogenic COc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)cc1OC 43129036 LRTOGYJDCDDAJR-UHFFFAOYSA-N 396.834 4.052 0 1 GIAF CCNC(=O)c1ccc(-c2c(C)nc3c(OCc4ccccc4)cccn23)cn1 1911586682 BTEIKVUDIAOFSP-UHFFFAOYSA-N 386.455 4.033 0 1 GIAF Cc1cn(S(=O)(=O)c2ccc3oc4c(c3c2)[C@H]2CC[C@@H](C4)N2)c2ccccc12 143421872 MTLKENWREKDKPE-KBXCAEBGSA-N 392.480 4.282 0 1 GIAF COC(=O)C[C@@H]1[C@@H](Cc2ccccc2)C[C@H]2[C@@H](Cc3ccccc3)C[C@H]1N2C 253794800 XXQUTIIQIQULCG-OSFFKXSWSA-N 377.528 4.360 0 1 GIAF COC(=O)[C@@]1(/C=C2\c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2c3ccccc3O[C@H]21 299813875 VVOONWVRIYRRAY-OSFVWKNWSA-N 380.415 4.264 0 1 GIAF CN(C)c1nc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553245 USCQVRYWKBGLRB-FXAWDEMLSA-N 396.830 4.210 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)OCCCO3)N1 587833308 FTGAUPSLTWKILE-NSPYISDASA-N 392.268 4.373 0 1 GIAF Cc1c(-c2nc3ncc(Cl)c(Cl)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029397 NNPFOQWTRPJJAD-UHFFFAOYSA-N 392.271 4.414 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CN(C)C(=O)OC(C)(C)C)N1 587742487 RTEIQFIUBWCFNG-GWCFXTLKSA-N 387.293 4.030 0 1 GIAF OCCc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587121996 IHAPEOJMBDVICB-UHFFFAOYSA-N 382.407 4.430 0 1 GIAF COC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2ccc(F)c(Cl)c12 587630890 DZQIFMFCKDLPJY-UHFFFAOYSA-N 390.798 4.173 0 1 GIAF Cc1cn2c(n1)[C@]1(CC=C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341502 WZXTXEIVYOXWJB-DENIHFKCSA-N 376.387 4.165 0 1 GIAF COC(=O)c1cc(-n2c(OC)cc(C)c2OC)c(Cl)cc1Br 587937011 MIHCJRHYJULGNT-UHFFFAOYSA-N 388.645 4.005 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C[C@@H]1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587798949 QFWIPHVPOFESLN-XPRARXKLSA-N 398.316 4.317 0 1 GIAF COC(=O)c1c(-c2cccc(I)c2)[nH]c2cc(F)ccc12 587634925 VESFWGUDPWOKSI-UHFFFAOYSA-N 395.171 4.365 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(/C(=C/c4ccccc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587454752 WYQMTTQWQLGTOO-MDOBHEMCSA-N 398.414 4.477 0 1 GIAF Cc1ccc(C)c(Nc2nc(C)c(-c3ccc4c(O)nc(O)nc4n3)s2)c1 587564367 QPTMPUKCSKLVMQ-UHFFFAOYSA-N 379.445 4.228 0 1 GIAF Cc1cc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1Br 587174415 JTNZNMRLNMJVRU-CQSZACIVSA-N 387.256 4.497 0 1 GIAF Cc1cccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 587064318 PRCDPWNRBFPBQP-UHFFFAOYSA-N 379.847 4.432 0 1 GIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccccc3[nH]2)C[C@@H]2CCCC[C@@H]21 586957450 ASQPNFBGXWVMFA-YSSFQJQWSA-N 381.501 4.257 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc3ccccc3n2C)N1 587758093 PJADKKPZKFNBER-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF CCOC(=O)c1ccsc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587844086 LZPRXFOZPNCLDU-BJOHPYRUSA-N 398.297 4.450 0 1 GIAF CCOc1ccc(-c2nn(C3CCOCC3)c(=O)c3ccccc23)cc1OCC 587669911 RRRJWHQYNVINBD-UHFFFAOYSA-N 394.471 4.212 0 1 GIAF Oc1ccc(C2(c3nc4cccc(OC(F)(F)F)c4[nH]3)CCOCC2)cc1 586911911 ASOAQWBTXVWTRY-UHFFFAOYSA-N 378.350 4.264 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)c[nH]c3nccc2-3)N1 587727381 BYBXFRFIZZDQNV-ZKANADHPSA-N 378.220 4.179 0 1 GIAF C[C@@]1(CCc2c(F)cc(Cl)cc2F)N[C@H](C(=O)O)Cc2cc(F)ccc21 962896108 ABSWSBLNVNUQTL-HKUYNNGSSA-N 383.797 4.204 0 1 GIAF C[C@@]1(c2cccc(N3CCCC3)c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732161 XNMBXUWHBZMEBM-CTNGQTDRSA-N 388.433 4.196 0 1 GIAF O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2ccccc2F)cc1 1772579137 BCUCHLDFTHKIIT-UHFFFAOYSA-N 377.415 4.470 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 12493773 DJVAMCYXFUWMLS-IKNTWPGUSA-N 386.532 4.382 0 1 GIAF endogenous,in-man CC(C)(C)OC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169324994 NBHMWIWFTLXHNU-SOOXLLGBSA-N 375.553 4.466 0 1 GIAF O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1cccc(Cl)c1)[C@@H]23 169333612 QIBYZEJYINKQEQ-RQGSJKACSA-N 390.955 4.270 0 1 GIAF COc1ccc(CNc2c3c(nc4ccc(C#N)cc24)CCN(C)C3)cc1Cl 205305483 SZSQUMVPZIONEO-UHFFFAOYSA-N 392.890 4.368 0 1 GIAF Cc1ccc(-c2cc(C(=O)NCCN(C)C)c3ccc4c(c3n2)CCCC4)cc1 1857603876 ZTOZRJHRUIHIRL-UHFFFAOYSA-N 387.527 4.380 0 1 GIAF O=c1cc(-c2ccccc2)oc2cc(OC[C@H]3CS3)cc(OC[C@H]3CS3)c12 1857632984 ADBHQMYOHIXRRC-HOTGVXAUSA-N 398.505 4.448 0 1 GIAF O=C(O)c1cc(S(=O)(=O)C(F)(F)F)ccc1Oc1cc(F)cc(Cl)c1 1857745783 VJWBFHHNHSCDIC-UHFFFAOYSA-N 398.717 4.263 0 1 GIAF CC(C)n1c(=O)n(C2CCOCC2)c2c3cc(-c4cccnc4)ccc3ncc21 1857748973 AQUNJGYEEUPGBC-UHFFFAOYSA-N 388.471 4.346 0 1 GIAF COc1cc([C@@H]2C3=C(O)CCC3=Nc3cc4c(cc32)OCO4)cc(OC)c1OC 100864457 GSRQTDUMDYZLBR-FQEVSTJZSA-N 395.411 4.265 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1/C=C/c1ccccc1OC 101848156 YSSLOFDFZBTULG-YSWBTZHXSA-N 385.460 4.442 0 1 GIAF COc1ccc(C(=O)/N=c2\[nH]c3ccccc3n2Cc2ccc(Cl)cc2)cc1 66123210 WCRTYMAEIIHIJS-UHFFFAOYSA-N 391.858 4.421 0 1 GIAF COc1cc(F)ccc1-c1csc([C@H](NC(C)=O)c2ccc(F)c(F)c2)n1 61905976 RTBSJCKFEGPLMR-GOSISDBHSA-N 392.402 4.462 0 3 GIAF C[C@@H](O)c1c(N(Cc2ccc(F)c(F)c2)S(C)(=O)=O)sc2ccccc12 115231898 XHVIXRFQHOBSEN-LLVKDONJSA-N 397.468 4.199 0 1 GIAF C[C@H](C=CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356853363 RFZOTNNDUHYGNN-SYSXUHNUSA-N 390.564 4.254 0 1 GIAF Cc1ccccc1-c1cc2nc(Oc3ccc4c(c3)OCO4)n(C)c(=O)c2s1 61897170 TYSGADPCXJGVBK-UHFFFAOYSA-N 392.436 4.491 0 3 GIAF COc1cc(Cl)cc(CN2CC[C@]3(CCCN(CC4CC4)C3)C2)c1OC 39515547 JIVPPSKDZUVJRA-NRFANRHFSA-N 378.944 4.055 0 1 GIAF COc1cccc([C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1 71332779 NXXHCFNLTZYTBM-JOCHJYFZSA-N 379.843 4.131 0 1 GIAF C[C@@H]1OC(=O)[C@@H](CCCCCCCCCCCCC2=C[C@@H](C)OC2=O)[C@@H]1O 13359000 OUGUBSKRYFRNBT-LCLWPZTBSA-N 380.525 4.462 0 1 GIAF biogenic O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1ccc(Cl)c(Cl)c1 40940267 APDUAGIZTAEIFJ-UHFFFAOYSA-N 395.267 4.003 0 1 GIAF CN(C)CCOc1ccc2c(c1)N(C(=O)Cc1ccc(Cl)c(Cl)c1)CC2 84703979 BWFFLHNZIJBEIM-UHFFFAOYSA-N 393.314 4.066 0 1 GIAF COCCCNc1ncc(C(=O)NCC2CCCCC2)c(-c2cccc(C)c2)n1 82145107 FVFGXYZSDTXMJB-UHFFFAOYSA-N 396.535 4.211 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCCO)c1ccc(F)cc1 587571760 PNHSKOPNBDSAEI-OFNKIYASSA-N 394.398 4.161 0 1 GIAF CC[C@@H](C)n1cc(Cl)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)n1 587081147 WIVLKFOEBLGJCI-LLVKDONJSA-N 397.870 4.110 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCNCC2)Oc2ccccc21 587482754 JBRRIYJAGPBXFQ-DEOSSOPVSA-N 393.483 4.110 0 1 GIAF C[C@@H](O)Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587614902 DMSMOQYTGJBFPR-IJIZOXLDSA-N 376.408 4.018 0 1 GIAF CCOP(=O)(OCC)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587410812 ZPZPZYPHRMBEMS-LJQANCHMSA-N 389.388 4.175 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 586936784 ALCBFZURHNWREX-CQSZACIVSA-N 379.485 4.460 0 1 GIAF O=c1c(-c2nc3ccccc3[nH]2)cc(Br)cn1Cc1ccccc1 587007000 WEWJFTGZDMBSGB-UHFFFAOYSA-N 380.245 4.202 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(N(C)C)c1 587862630 SMIZSMUMWVXTOH-UHFFFAOYSA-N 389.377 4.332 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](c1nc2c(Br)ccnc2[nH]1)C1CCCC1 587226829 UOGRLHDQGADDFX-GFCCVEGCSA-N 395.301 4.476 0 1 GIAF COc1ccc(-c2ncc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cc1OC 587415393 ZTAQWGVBUCLNAW-SFHVURJKSA-N 396.468 4.424 0 1 GIAF c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(OCc2cscn2)c1 587029221 LIBRSGYEDICVLK-UHFFFAOYSA-N 379.441 4.427 0 1 GIAF O=C1CC=C(c2nc3cc(Cl)c(Cl)cc3[nH]2)NN1Cc1ccc(F)cc1 587164558 WIPJJQSHYAFZRZ-UHFFFAOYSA-N 391.233 4.287 0 1 GIAF COc1cc(OC)c2[nH]c(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)nc2c1 587204167 JAAZEVPFWOYNLN-HNNXBMFYSA-N 377.485 4.062 0 1 GIAF Cc1ccc(C(=O)O)cc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657034 QPZZCQRZWPBQTD-UHFFFAOYSA-N 392.361 4.338 0 1 GIAF C=CN1CCCC[C@@H]([C@@]2(C3CC3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587475889 QRHHQSOOEJHBTK-JPYJTQIMSA-N 383.488 4.231 0 1 GIAF CC1(C)[C@H]2C[C@H]1[C@@](C)(O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346819 AJVUKXMVTFSSAH-OKNWRXOGSA-N 396.458 4.446 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1c(Cl)nc2cc(Cl)ccn12 963031080 HEHSHTNUZUQHJK-GOSISDBHSA-N 399.281 4.433 0 1 GIAF CN1CCc2c(Br)cccc2[C@@]1(C)c1cnc(Cl)nc1Cl 963268957 BZYNIYOWDFRHHF-HNNXBMFYSA-N 387.108 4.297 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](C[C@@H]1CCCN(Cc3ccccc3)C1)C2 1772622095 LKYMOSKDWXXCSI-AZUAARDMSA-N 379.500 4.361 0 1 GIAF C[C@@H](NC(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1)c1ccncn1 12224949 SGVZVWIKDYOWOV-CYBMUJFWSA-N 392.846 4.353 0 3 GIAF COC(=O)c1ccc(C2=NO[C@@](C)(c3nnc(-c4cccc(Cl)c4)o3)C2)cc1 12477167 MCALRQLKEFGBIF-HXUWFJFHSA-N 397.818 4.216 0 3 GIAF Cc1ccc(C(=O)N2c3ccccc3[C@H](NCc3ccccc3)[C@@H](O)[C@@H]2C)cc1 13652389 YVRQVVQGVPOWEI-NWVWQQAFSA-N 386.495 4.236 0 1 GIAF O=C(O)c1ccc(CNC(=O)c2cc(F)ccc2Oc2ccc(F)cc2)cc1 168904523 MKIRDUSAXONEOR-UHFFFAOYSA-N 383.350 4.385 0 1 GIAF Cc1ccccc1NC(=O)C[C@@]1(C)N=C(c2cccc(C(F)(F)F)c2)N(C)O1 205217510 CZIZNMYOOQUDJN-IBGZPJMESA-N 391.393 4.382 0 3 GIAF CCCCCCC1=NOC[C@@]1(C)C(=O)NCCc1ccc(OC)c(OCC)c1 4295129 GJVQYKWGPCNWRU-JOCHJYFZSA-N 390.524 4.116 0 1 GIAF CCCN(CC1CC1)C(=O)c1cc(COc2ccc(OC)cc2Cl)on1 12387308 FOYSJOAFGLBROK-UHFFFAOYSA-N 378.856 4.178 0 1 GIAF O=C(C[C@H](c1ccc(Cl)cc1)c1ccccn1)NCCCCc1c[nH]cn1 13490228 ANIHOXRCRZIORL-LJQANCHMSA-N 382.895 4.119 0 1 GIAF CCOc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC(=O)COC)c1Cl 26022181 UHAHVNURKXYZSN-UHFFFAOYSA-N 397.469 4.166 0 1 GIAF N=C(NCc1ccccc1)Nc1nnc(-c2ccccc2C(F)(F)F)s1 28086181 WQIZCFRHTOZLTA-UHFFFAOYSA-N 377.395 4.360 0 1 GIAF COC(=O)C[C@@H](c1ccccc1)[C@@H](C(=O)N(C(C)C)C(C)C)c1ccccn1 34987612 WOGRFKYSUMJXDZ-SIKLNZKXSA-N 382.504 4.158 0 1 GIAF Cc1cc(C)cc(OC(=O)C(Br)(C(F)(F)F)C(F)(F)F)c1 68573957 QXFLGOIZQRLPNC-UHFFFAOYSA-N 379.094 4.467 0 1 GIAF biogenic CCCc1nc2c(NCCCc3ccccc3)ncnc2n1C[C@@H]1CCCO1 82180049 ZMZAMROQXPTTHQ-SFHVURJKSA-N 379.508 4.003 0 1 GIAF CCC(CC)C(=O)N[C@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]12 84668851 TYYNTQQWXJQRLB-UHOSZYNNSA-N 382.470 4.468 0 1 GIAF CCN1CCC(c2ccccc2)=C(C(=O)OCCCc2ccc(OC)cc2)C1 95593128 ZQHWFHCBXAHFCX-UHFFFAOYSA-N 379.500 4.350 0 1 GIAF COC(=O)CCCN1C=CC(c2ccc(OC)cc2)(c2ccc(OC)cc2)C=C1 100028340 SJQXCFOIAZXPSN-UHFFFAOYSA-N 393.483 4.286 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(Cl)cc4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632436 VOFKAUFBGMAVBB-GUYCJALGSA-N 386.904 4.014 0 1 GIAF COC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)O2 100796096 IXQQMWIAXLMOHP-VNTMZGSJSA-N 388.410 4.180 0 1 GIAF O=C(NC[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1cc(Cl)cc(Cl)c1 102806914 HJUXXQNHURWWST-LDLYASANSA-N 375.299 4.101 0 1 GIAF O=c1c2ccccc2nc(-c2ccccc2)n1NCCNc1ccc(Cl)cc1 103175108 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CCCCOC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345768 GOOBZSICISRIFG-IRLDBZIGSA-N 386.419 4.382 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(F)(F)F)c(F)c1)[C@@H](C2)C3=O 587418229 BODHCJMTLPKFKL-KPZWWZAWSA-N 382.309 4.264 0 1 GIAF CCCc1c(O)ccc2c1OC1(CC2=O)CC2(CN(C(=O)OC(C)(C)C)C2)C1 587477235 WTEQLCXJZYMLGZ-UHFFFAOYSA-N 387.476 4.080 0 1 GIAF Cn1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1ccco1 587581752 MGZDEHWKNWONEQ-SIKLNZKXSA-N 388.379 4.089 0 1 GIAF Cc1noc(C2CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)n1 587585529 FMGKAOODQMFWBK-LYNDWLEASA-N 392.411 4.142 0 1 GIAF CC(C)[C@@]1(Cc2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587322 NPEZJJKTIXBYTI-NFBKMPQASA-N 375.424 4.386 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC=C2Br)N1 587680404 IWWDDDKKDLVDGP-CLAHSXSESA-N 375.079 4.390 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(C(F)(F)F)N1 587710304 ROYMRRKAADAUNS-VFZGTOFNSA-N 389.190 4.323 0 1 GIAF CCN(C)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587739358 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COc1cc([C@H]2NCCc3c(C)ccnc32)cc(Br)c1OC(C)C 963070533 NSMSEVKCALSFQS-QGZVFWFLSA-N 391.309 4.183 0 1 GIAF O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCCOc2ccccc21 1772569747 GBAYROJCGHEZDF-UHFFFAOYSA-N 396.468 4.197 0 1 GIAF Cc1ccc2ncccc2c1NS(=O)(=O)c1ccc(Br)cc1 1857650401 QMLWYYYXSDXULN-UHFFFAOYSA-N 377.263 4.107 0 1 GIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)[C@@H](C[C@H](OC(C)=O)[C@H]12)C3 2356337498 ZLRHETLONDHLRQ-PCFNREKVSA-N 390.520 4.073 0 1 GIAF COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc4c(c3)CCN4)cs2)c1 95755246 HSGZKBHZXBMCRD-UHFFFAOYSA-N 381.457 4.048 0 3 GIAF CCOc1ccccc1C1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N(C)C 771759 WGMSXJCLURRXJN-PKOBYXMFSA-N 390.842 4.058 0 1 GIAF CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccn2)[C@@H]1c1c[nH]c2ccccc12 2469284 NHVYNJARUXPAOG-YADHBBJMSA-N 396.450 4.112 0 1 GIAF COc1ccc([C@@H]2C(=O)c3c(OC)cc(OC)cc3O[C@@H]2c2cccnc2)cc1 13220601 KSVXEEMRTGJPEI-NFBKMPQASA-N 391.423 4.208 0 1 GIAF O=c1n(-c2ccccc2)nc2c(NCCCc3ccccc3)nc3ccccc3n12 13672086 UXESUNGICYNFRJ-UHFFFAOYSA-N 395.466 4.078 0 1 GIAF COc1cc2c(c(C)c1Cl)Oc1c(C=O)c(O)c(Cl)c(C)c1C(=O)O2 15203277 HZFIZEFIKOIHGY-UHFFFAOYSA-N 383.183 4.462 0 1 GIAF biogenic CN1CCN(C2=Nc3ccccc3CC=C2c2ccc(Br)cc2)CC1 40466887 UTFFTJKWWNTQDH-UHFFFAOYSA-N 396.332 4.366 0 1 GIAF COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)n(C)n2)ccc1O 45506550 FFBTZOAEBAETTQ-KBXRYBNXSA-N 378.428 4.189 0 1 GIAF COCCn1c([C@@H]2COc3ccccc3O2)nc2ccc(-c3ccncc3)cc21 49048362 GAIUQXBPYBQQNJ-QFIPXVFZSA-N 387.439 4.257 0 1 GIAF COc1cc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(C)=O)cc(OC)c1OC 58582224 VLRBLVJQAIUFDS-KRWDZBQOSA-N 388.851 4.063 0 1 GIAF CC1(C)C[C@@H](NC(=S)Nc2cccc(Cl)c2)c2cc(NC=O)ccc2O1 72175415 UUMQMNQXKIUERH-MRXNPFEDSA-N 389.908 4.497 0 1 GIAF CNc1nc(CC(F)(F)F)c(-c2ccnc(Nc3ccc(O)cc3)n2)s1 95605594 JDGZTYYDQGRYGF-UHFFFAOYSA-N 381.383 4.196 0 1 GIAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCC3)cc2)[C@H]1CNCC1CCCC1 95871984 TZDKKFPYSFVTMG-VDKIKQQVSA-N 396.575 4.099 0 1 GIAF O=C(N[C@H]1CC[C@H](O)CC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 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COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 587232268 VLHDLRSHLZYRKS-RTBURBONSA-N 393.487 4.392 0 1 GIAF C[C@@H]1C[C@H](C(=O)O)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354724 RFUQGYQRRMCHCE-NUKFJLPCSA-N 384.403 4.150 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(NC(=O)OC(C)(C)C)n1)O2 587414226 RRIOLJFFDSBWED-AWEZNQCLSA-N 375.450 4.087 0 1 GIAF CCOC(=O)CCC[C@]1(c2ccc(F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428347 MNUNOTHJEYVQMT-WZONZLPQSA-N 398.430 4.211 0 1 GIAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1csc4ccccc14)[C@@H](C2)C3=O 587452474 NITAJBOOMNDYKW-OYHNWAKOSA-N 394.448 4.418 0 1 GIAF O=C1C[C@]2(CCOC[C@@H]2OCc2ccccc2)Oc2c1ccc1c2CCCC1 587530178 BINWZZUXVDSGJT-UPVQGACJSA-N 378.468 4.275 0 1 GIAF COC[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556435 JQQXJTHGUCBOSX-DENIHFKCSA-N 398.361 4.174 0 1 GIAF COC(=O)c1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587557587 NMKVAUHDRCFVKI-RXVVDRJESA-N 394.354 4.021 0 1 GIAF C[C@@]1(c2cnn(-c3ccccc3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582360 OTYVUNBMSYWYIX-QPPBQGQZSA-N 398.418 4.455 0 1 GIAF Cc1cc(C(=O)O)cc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605960 CGDJCXYTYQAJGN-UGKGYDQZSA-N 390.391 4.410 0 1 GIAF COC(=O)[C@@H]1CCCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587805616 IBMTTXCGFQUEBN-YNKQFZHNSA-N 384.289 4.071 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(O)cc3C2)N1 587836107 ZNBIQFSVCXMPLR-WYRIXSBYSA-N 376.269 4.212 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C3(C)COC3)cc2)N1 587836908 YNJRIAUQCPPXLD-HXPMCKFVSA-N 390.296 4.500 0 1 GIAF COc1cc(C)c(OC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 587945574 OIGSDZNLMKIHMW-UHFFFAOYSA-N 375.425 4.024 0 1 GIAF COc1cccc(-c2cc(O)n([C@@H](COc3cc(F)cc(F)c3)N=O)c2O)c1 587945703 POQGBAQSGQJEPV-KRWDZBQOSA-N 390.342 4.197 0 1 GIAF CCCN1C[C@@H]2CCC[C@H](C1)C21NC2(CC2)Cc2ccc(Br)cc21 961618235 ZDZMBFXIHLODBQ-QRTHJKPMSA-N 389.381 4.465 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@]2(C1)NCCc1c(Cl)cc(Cl)cc12 963116011 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103544863 DDCCBFZIUCCNNG-BTYIYWSLSA-N 397.471 4.226 0 1 GIAF COC(=O)c1cccc(NS(=O)(=O)c2oc3ccc(C(C)C)cc3c2C)c1 114594225 BMCWFIMDGCVQKS-UHFFFAOYSA-N 387.457 4.452 0 1 GIAF CC1(C)CC[C@@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@@H]2C1=O 29309752 MJPBFWJRPNCFTK-IMJJTQAJSA-N 392.272 4.174 0 1 GIAF Cc1[nH]c2ccccc2c1[C@@H](c1ccc(Cl)cc1)c1oc(CO)cc(=O)c1O 64549824 HWRSDMIKSQIJGV-HXUWFJFHSA-N 395.842 4.461 0 1 GIAF C[C@H](CCC(=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@@]21C 31852609 DGABKXLVXPYZII-RTPJEKPLSA-N 392.580 4.478 0 1 GIAF COc1cc(Nc2nccc3c2ncn3Cc2ccccc2)cc(OC)c1OC 82078920 ZLLRIYSRWLFKBZ-UHFFFAOYSA-N 390.443 4.249 0 1 GIAF CC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)Nc3ccncc3)cc2)no1 49033871 RXQKYRGFBQTLGW-UHFFFAOYSA-N 379.420 4.263 0 1 GIAF N[C@@H](CS[C@](Cc1ccccc1)(c1ccccc1)c1cccc(O)c1)C(=O)O 84706012 MAMGUVPVCXVLOC-JTHBVZDNSA-N 393.508 4.024 0 1 GIAF Cn1cc(-c2cc3c[nH]/c(=N\c4cccc(OC(F)(F)F)c4)cc3n2C)cn1 82078660 ZSYXRZMCIABIGX-UHFFFAOYSA-N 387.365 4.038 0 3 GIAF Clc1ccc(Sc2oc(C3CCOCC3)nc2C2CCNCC2)nc1 147135634 SKURAOACLFVAPQ-UHFFFAOYSA-N 379.913 4.235 0 1 GIAF N=C(N)Nc1ccc(Oc2ccc(NC(=O)CCCCCCCN)cc2)cc1 95594205 LRXHCLGYRZXCFI-UHFFFAOYSA-N 383.496 4.022 0 1 GIAF CCC(CC)(NC(=O)c1ccc(Cl)c(-c2cccc(Cl)c2)n1)C(=O)NC 143475473 QSFPKINZVDAVRI-UHFFFAOYSA-N 394.302 4.090 0 1 GIAF Cc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N2CCc2ccccn2)cc1C 95554693 OMNRGNMKVRPIKA-JOCHJYFZSA-N 385.467 4.077 0 1 GIAF O=C(O)CCCCCCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 473108694 NVTFWBUJTVNIEY-UHFFFAOYSA-N 398.411 4.285 0 1 GIAF CCc1ccc2nc([C@H](CC)n3cc(I)c(C)n3)[nH]c2c1 587185489 VAHQUEWKXPHRQT-HNNXBMFYSA-N 394.260 4.234 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nc3ccc(Br)cn13)O2 587374369 XKFFFLXWBZWQIH-OAHLLOKOSA-N 386.249 4.002 0 1 GIAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)c(F)cc2[nH]1)C[C@H]1CCCO1 587197860 VZWADOHFDVKTES-LLVKDONJSA-N 383.851 4.272 0 1 GIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587114858 XTDUKWCGWKDQRV-JTQLQIEISA-N 384.379 4.175 0 1 GIAF O=Cc1ccc(OCCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 587566288 FFJTVXHHQBDELG-UHFFFAOYSA-N 379.641 4.413 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C(C)(C)C)nc2)N1 587773842 KEQUEHGHDVATGG-QFYYESIMSA-N 378.289 4.299 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1 586980298 NVJFMEDVHCEPFQ-UHFFFAOYSA-N 399.697 4.439 0 1 GIAF O=C(CCCc1nc2ccc(Br)c(O)c2[nH]1)c1ccc(Cl)cn1 587082262 MDVCLGIDTDTTHU-UHFFFAOYSA-N 394.656 4.285 0 1 GIAF COc1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c2c1 586948142 FFPCMKRCDASDFA-UHFFFAOYSA-N 393.468 4.348 0 1 GIAF Cc1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587834606 LPLZFFFEJAXOOX-HXPMCKFVSA-N 376.269 4.457 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3nc(Cl)ccc32)N1 587708072 XSNJFZLHEMJZOB-XLFHBGCDSA-N 381.676 4.361 0 1 GIAF N[C@H](Cc1cccc(Br)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586983544 CQCZEVKWRAGGPL-SNVBAGLBSA-N 386.080 4.270 0 1 GIAF CC(=O)C[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587733675 RRCZLGNCMUDLNO-WYRIXSBYSA-N 394.259 4.484 0 1 GIAF COc1ccc2occ([C@@H]3NCCc4c(Cl)cc(Cl)cc43)c(=O)c2c1 963101487 BOZIKKLBRUQAIW-GOSISDBHSA-N 376.239 4.344 0 1 GIAF CSc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1 962708889 LBNFBNXYQSDLJF-FUHWJXTLSA-N 399.409 4.429 0 1 GIAF CC(C)NC(=O)c1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962698706 JHBXZQBTEHPJQW-AVRDEDQJSA-N 398.547 4.417 0 1 GIAF CCOC(=O)c1csc(-c2csc(-c3csc([C@H](N)C(C)C)n3)n2)n1 1772634891 CNMSDKKARCIHKG-GFCCVEGCSA-N 394.547 4.223 0 1 GIAF CCOC(CSc1nc(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]1)OCC 5886746 CHICPYFDBHXNEO-UHFFFAOYSA-N 390.549 4.031 0 1 GIAF CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 13836510 HJVBXPOYFHMZAS-YYEGTTEGSA-N 392.536 4.031 0 1 GIAF CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccc(F)cc1)CCCC3 169686274 YLHDGURHLCTIDP-MSOLQXFVSA-N 381.451 4.099 0 1 GIAF CCOC(=O)C1=C(C(C)C)NC(=S)N[C@H]1/C=C/c1ccc(C(F)(F)F)cc1 1857566031 LXJMNDGVVGKTKG-RNVIBTMRSA-N 398.450 4.038 0 1 GIAF COc1ccc(OC)c(NC(=O)[C@]2(C)CCN2Cc2ccc(C(C)C)cc2)c1 1857604843 YIXQNGLDAFXEDQ-QHCPKHFHSA-N 382.504 4.430 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@@H]([C@@H](O)C(F)(F)F)C[C@@]43C)[C@@H]1CC[C@@H]2O 4804012 HTYHKJJOVXZDHV-DTQJNIMNSA-N 388.470 4.108 0 1 GIAF CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(OC)cc3C)n2C)cc1 29125066 HZLCXCCAWDMTBQ-GYHWCHFESA-N 395.528 4.380 0 1 GIAF CCOc1ccc(-c2cc(NC(=O)c3ccncc3)c(C(=O)OC)s2)cc1 9407349 YCSXEAXZCVVQDR-UHFFFAOYSA-N 382.441 4.248 0 1 GIAF CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)Cc3sc(C)nc3[C@H](C)[C@H]2[C@H]1O 2356313760 YFVIBFOAEBKBDI-JETDZHGKSA-N 378.582 4.009 0 1 GIAF Cc1cc(OCC(=O)O[C@H](C)P2(=O)OCC(C)(C)CO2)ccc1Cl 103173531 YWGLOBXKUFOPDF-LBPRGKRZSA-N 376.773 4.183 0 1 GIAF CCCCNC(=O)c1ccc2nc(CC)c(N(C)Cc3ccc(OC)cc3)n2c1 61927120 NOTWKSOIFCDKND-UHFFFAOYSA-N 394.519 4.072 0 3 GIAF COC(=O)c1c(-c2ccc(OC)cc2)sc2ccc(N3CCOCC3)cc12 61969023 WBWRMASZAQGWSY-UHFFFAOYSA-N 383.469 4.200 0 3 GIAF CC[C@@H]1C(=O)C[C@H]2CCN(S(=O)(=O)c3ccc(Cl)cc3)[C@H]3CCC[C@@H]1[C@@H]32 211060306 LXXGNRZAIYGGBF-NBZNJJEASA-N 395.952 4.135 0 3 GIAF COc1ccccc1-c1cncc2cc(S(=O)(=O)Nc3nccs3)ccc12 215507593 DVSKGEGXEVPISY-UHFFFAOYSA-N 397.481 4.168 0 1 GIAF CCC1=C(CC)CC2=C(C1)CC(NC[C@H](O)c1ccc(O)c3[nH]c(=O)ccc13)C2 38346233 DRKGNLYJPTXVHV-QFIPXVFZSA-N 394.515 4.226 0 1 GIAF CC(C)c1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1 40917947 ICABZMOPXMZCLZ-UHFFFAOYSA-N 391.515 4.374 0 1 GIAF Cc1ccnc(OCc2cncc(-c3cc4c(cc3F)N(C)C(=O)CC4)c2)c1 221021620 UTLYURWNJQNQGJ-UHFFFAOYSA-N 377.419 4.079 0 1 GIAF Cc1ccc(S(=O)(=O)n2ccc(-c3c(-c4ccccc4)noc3C)n2)cc1 199256202 ZTHOOTRBEXIZBW-UHFFFAOYSA-N 379.441 4.059 0 3 GIAF O=S(=O)(c1cccc2ccccc12)c1cn([C@@H]2CCNC2)c2ccccc12 49033556 QVDOCCNOCBQREJ-QGZVFWFLSA-N 376.481 4.162 0 1 GIAF Cc1sc(Nc2cc3c(cc2F)OCO3)nc1C(=O)N1CCC[C@H](C)[C@H]1C 96283034 SEMFMCZEFJOTEB-WDEREUQCSA-N 391.468 4.324 0 1 GIAF COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(Cc2cccnc2)CC1 299859996 ITDACBKZDRJEOQ-UHFFFAOYSA-N 387.911 4.201 0 1 GIAF CCCOc1cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc2[nH]c(=N)oc12 587473556 XOUYDLZFDLOEPG-GOSISDBHSA-N 396.443 4.394 0 1 GIAF CCCn1ncc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587764812 RHXNZZIXCAIXLK-BBATYDOGSA-N 380.305 4.301 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(O[C@@H](C)C(=O)O)c1)CC2=O 587486617 RVJJRFXCFAMMEN-XMHCIUCPSA-N 384.428 4.077 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccco3)nc2)N1 587776947 ZHKPTTXAMJLYQB-QGHHPUGFSA-N 388.240 4.262 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4c(C(=O)O)cccc41)[C@@H](C2)C3=O 587451235 QPAWTXWCXIUOOZ-MHECFPHRSA-N 384.387 4.065 0 1 GIAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(OC)n1 586987579 CUPWWTIOWJKXIC-UHFFFAOYSA-N 384.391 4.231 0 1 GIAF COc1cc(-c2nc3cncc(C)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143365 DOHSPNKJGFFCGH-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccc(F)cc4)c1Cl)[C@@H](C2)C3=O 587430007 YNSFKTJNWZSUAB-MGPUTAFESA-N 398.821 4.471 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Br)sc1C)[C@@H](C2)C3=O 587452907 QCIFNIYILGOALC-YVEFUNNKSA-N 379.275 4.490 0 1 GIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc2c(c1)OCCO2 587657564 ZRSWMJPRRGHDCP-UHFFFAOYSA-N 392.361 4.102 0 1 GIAF COc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 587398281 DRQURKOJEDLNQW-HSZRJFAPSA-N 375.424 4.200 0 1 GIAF Cc1ccc(C(=O)O)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605986 COIWYRDKYCHDKB-XXBNENTESA-N 390.391 4.276 0 1 GIAF O=C1O/C(=C\c2nc3cc(Br)c(F)c(F)c3[nH]2)c2ccccc21 586907765 WQVMTXQJZGGPOQ-WDZFZDKYSA-N 377.144 4.272 0 1 GIAF O=C(O)C1C[C@@H]2CC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354446 QREAMAJEYTUTJI-SBNDYWGASA-N 396.414 4.150 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ncc(Br)cc1OC)CC2=O 587457701 BIQKGAQCVAKJLH-INIZCTEOSA-N 392.249 4.217 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3cccc(Cl)c3)n1)CC2=O 587463680 WTBPYFYXLAYEJH-IBGZPJMESA-N 383.835 4.285 0 1 GIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)c(F)cc2[nH]1 587113135 OKOQXJNAQUMIIY-QGZVFWFLSA-N 383.320 4.260 0 1 GIAF CN(C)S(=O)(=O)c1cccc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587962672 VOUCPXFMGHIAPJ-UHFFFAOYSA-N 391.496 4.071 0 1 GIAF Cn1ncc2cccc([C@]3(C)c4cccc(F)c4CCN3[C@@H]3CCSC3)c21 962711055 PHWQPUUMKLURAB-ZHRRBRCNSA-N 381.520 4.340 0 1 GIAF Cc1c(F)ccc2c1[C@@]1(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C1)NCC2 962141944 CKOYSFIHCXRLKD-XDHUDOTRSA-N 392.474 4.104 0 1 GIAF O=C(O)C[C@H]1CC[C@]2(C1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963816515 CVSOIHJWGQQXJZ-MZNJEOGPSA-N 390.483 4.363 0 1 GIAF COc1ccc(-c2nn3cc(Cl)ccc3c2Cc2cccc(C(=O)O)n2)cc1 1772637926 GAWUTUBTOHFLOQ-UHFFFAOYSA-N 393.830 4.347 0 1 GIAF O=C(N[C@H]1CCc2ccccc21)c1cc(COc2ccc(F)cc2Cl)on1 11998718 ONZNGESFGLSZCW-KRWDZBQOSA-N 386.810 4.463 0 3 GIAF Cn1c2c(c3cc(OC(F)(F)F)ccc31)[C@@H](CNC(=O)C1CCC1)CCC2 13777817 MFLQEGRSLZWVOI-CYBMUJFWSA-N 380.410 4.413 0 1 GIAF CC1=C[C@H](C)[C@@H](C)N(CCNS(=O)(=O)c2ccc(C)cc2)c2ccccc21 17249265 GNQPOUDSQAHPQM-PKOBYXMFSA-N 384.545 4.221 0 1 GIAF C[C@@H]1CO[C@@H]2c3c(O)cc4scnc4c3C[C@H]3[C@H](C(=O)O)CC[C@H]4[C@@H]1CC[C@@]243 1857636511 VUPURRJSLQKYJL-POJXQBLJSA-N 399.512 4.389 0 1 GIAF CC(=O)O[C@@H]1C=C(C)[C@H](OC(C)=O)CC=C(C)CC[C@H]2[C@@H](C=CC1=O)C2(C)C 254201735 VRGIDOAPYHTMND-YVNJGZBMSA-N 388.504 4.324 0 1 GIAF CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl 4081782 BURFYDAJPFCHAP-RDJZCZTQSA-N 381.234 4.313 0 1 GIAF Cc1nc2ccccc2c2oc(C(=O)NCCCN3CCc4ccccc4C3)cc12 4902459 CTLCZZBQPYBINN-UHFFFAOYSA-N 399.494 4.468 0 1 GIAF CCc1c(C)[nH]c(=O)c(NC(=O)C(C)(C)C)c1[C@@](C)(O)c1cc(C)cc(C)c1 5886668 JBTJTBYBSVJKAA-QHCPKHFHSA-N 384.520 4.103 0 1 GIAF COc1c(O)c2c(c3occ(-c4ccc5c(c4)OCO5)c(=O)c13)C=CC(C)(C)O2 15148526 WWDGFJYGAQKSRX-UHFFFAOYSA-N 394.379 4.087 0 1 GIAF biogenic,in-vitro CCn1ccc2cc(C3=NC[C@@H](c4cc(OC)c(OC)c(OC)c4)O3)ccc21 27524737 HLMDHNPTVWKIEP-FQEVSTJZSA-N 380.444 4.205 0 1 GIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/c2ccccn2)c1 28459086 AUZAKOOAGXPADZ-OUKQBFOZSA-N 387.483 4.108 0 1 GIAF O=c1[nH]c(Nc2ccc3c(c2)CCC3)nc(O)c1CCCCc1ccccc1 28570620 WUYVEBKASMSBHA-UHFFFAOYSA-N 375.472 4.273 0 1 GIAF CC[C@@H]1[C@@H](c2cccc(OC)c2O)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 31860826 UWMPNVWZHCIJMI-ZQQNNKCXSA-N 397.471 4.102 0 1 GIAF CCS(=O)(=O)N1CCC(Oc2cc3cnccc3cc2-c2ccccc2)CC1 40938499 LXDUUNAXJVWSJS-UHFFFAOYSA-N 396.512 4.095 0 1 GIAF O=C(O)C1=CCCN([C@@H]2CC[C@]3(Cc4cc(F)ccc4Cc4ccccc43)C2)C1 43202673 PXJLHYOGLFJGQN-RDGATRHJSA-N 391.486 4.480 0 1 GIAF COc1ccc([C@H](O)CN[C@@H](C)CCc2ccc(F)cc2)cc1C(F)(F)F 45167408 WIEWTSINKQLIIM-SCLBCKFNSA-N 385.401 4.497 0 1 GIAF Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc(CNC(=O)N(C)O)cc2)no1 45364587 LXRYLCMDONTDPK-UHFFFAOYSA-N 390.802 4.035 0 1 GIAF NCCCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 49055701 CUOZNADPDYAGTE-OAQYLSRUSA-N 377.536 4.357 0 1 GIAF Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CC(F)C3)cc3c(nc(C)n3C)c2O1 49113012 YBGDJKRGGZWWSZ-FQEVSTJZSA-N 393.462 4.050 0 1 GIAF CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(C(F)(F)F)cn2)no1 68245134 SHIQHFJMBFHFKT-SFHVURJKSA-N 396.413 4.384 0 1 GIAF Cc1ccnc(NC(=S)N[C@@H]2CCCN(c3cccc(C(F)(F)F)c3)C2)c1 95569869 VMHJIXGMMKXYTL-OAHLLOKOSA-N 394.466 4.364 0 1 GIAF CCOC(=O)CCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144774516 DLKKPROQZSVFBD-LJQANCHMSA-N 380.362 4.187 0 1 GIAF O=C(Nc1ccccc1)c1c(-c2ccc3[nH]ncc3c2)nnn1Cc1ccccc1 147447772 NIRNBJOOFZFQBW-UHFFFAOYSA-N 394.438 4.122 0 1 GIAF Cc1noc2c1C(=O)C[C@@H](CN1CCC(c3c[nH]c4cc(F)ccc34)CC1)C2 169322307 GLBUSOXIXYZDKN-CQSZACIVSA-N 381.451 4.228 0 1 GIAF C[C@@H]1C(=O)CC[C@@]2(C)C1=NC[C@@H]1[C@@H]3CC[C@H](C(=O)NC(C)(C)C)[C@@]3(C)CC[C@@H]12 169714153 UGTPPIKWZTVVAM-IDLVPNBPSA-N 386.580 4.420 0 1 GIAF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(C(C)C)c2)nc1 209431413 MGGBSQMMERPTHR-MOPGFXCFSA-N 390.487 4.081 0 1 GIAF Clc1ncnc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c12 587081715 USQHIJOEZVYHBU-UHFFFAOYSA-N 382.214 4.036 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc2c1 587116356 UZNAZLUWDDQWSD-UHFFFAOYSA-N 393.152 4.076 0 1 GIAF Brc1cnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 587231884 HFYNDNMVZDZJID-UHFFFAOYSA-N 383.249 4.270 0 1 GIAF COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc(Cl)s1)[C@@H](C2)C3=O 587450179 HWIDINPQFCHVAB-BUXKBTBVSA-N 392.860 4.308 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H]2C([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2C1 587518335 GEDMEMBBEPUBBL-LMMKCTJWSA-N 383.488 4.012 0 1 GIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587558122 QFWYULGBBLGUIF-KNQAVFIVSA-N 380.371 4.417 0 1 GIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(F)c1F 587559855 ZSHKSIJCUHCMPZ-UWJYYQICSA-N 384.334 4.382 0 1 GIAF C[C@]1(c2scc3c2OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614224 RUFTWEDALOBRJE-IERDGZPVSA-N 396.420 4.102 0 1 GIAF C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651361 IDZSPAZJHLOLKA-JTQLQIEISA-N 396.752 4.176 0 1 GIAF CCOC(=O)C[C@]1(CC2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587799309 RSXRNNUPEFPFJE-BLVKFPJESA-N 398.316 4.461 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC=C[C@H]2C[C@H](C(=O)O)C1 587825822 INLVNPIKFVRUIF-DDMVCWABSA-N 394.284 4.005 0 1 GIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Br)c(F)cc3[nH]2)cc1 587936329 KPKPLHPKOYNYRD-XXFAHNHDSA-N 379.229 4.310 0 1 GIAF Cc1cc([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc2cccnc12 962976351 ZOYDADLIFYSAPO-DNVCBOLYSA-N 388.801 4.163 0 1 GIAF O=C(N[C@H](C(=O)NCc1cccnc1)c1ccccc1)c1ccc2ccccc2c1 1857545701 WRFZXWXBEQHKCM-QHCPKHFHSA-N 395.462 4.022 0 1 GIAF CC(C)NC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)nc2ccccn12 1857586809 WWQRVSXFADZTPH-UHFFFAOYSA-N 391.258 4.032 0 1 GIAF COc1cc(NC(=O)Nc2cc(Nc3ccc(C)c(C)c3)ncn2)cc(OC)c1 1857624686 YSZYHKJCSVPDNT-UHFFFAOYSA-N 393.447 4.498 0 1 GIAF C[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(F)cc3)=NN2C1=O 1857629900 MNQXMQHQMUJCQY-QLJPJBMISA-N 389.224 4.047 0 1 GIAF O=c1cc(Sc2cccc(-c3ccc(C(F)(F)F)cc3)c2)nc(O)n1O 1857653033 YCINULDIDVZSGL-UHFFFAOYSA-N 380.347 4.023 0 1 GIAF CC(C)[C@@H]1CC[C@@]2(C)[C@@H]([C@H]1OC(=O)C=Cc1ccccc1)[C@@](C)(O)CC[C@H]2O 2356390685 HVLYGZJHRBJSCY-GAKIFIAFSA-N 386.532 4.206 0 1 GIAF COc1c2ccoc2c(OCC=C(C)C[C@H]2C=C(C)C(=O)O2)c2oc(=O)ccc12 2356495034 BSOQPQBWWASEBU-AWEZNQCLSA-N 396.395 4.135 0 1 GIAF COc1cccc(NC(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)c1 6550468 ATYASBKOQOKDRX-UHFFFAOYSA-N 381.476 4.195 0 3 GIAF COc1ccc(-c2c[nH]c([C@H](O)c3ccc(CN4CCCCC4)cc3)n2)cc1 61925695 LIOBSNYOWVESPO-JOCHJYFZSA-N 377.488 4.153 0 3 GIAF COc1cc(Nc2nccc3c2cc(-c2cccnc2)n3C)cc(OC)c1OC 82081744 YCHHJFYRJLRSIG-UHFFFAOYSA-N 390.443 4.405 0 3 GIAF O=C(Nc1ccc2c(c1)OCCO2)[C@H](Nc1ccccc1)c1ccccc1F 206049912 XXVQPWXUNJVLCO-OAQYLSRUSA-N 378.403 4.389 0 3 GIAF COc1ccc(-c2nc(CSCC(=O)NCCc3ccccc3)c(C)o2)cc1 5056933 SRXAHUXOCVJDOW-UHFFFAOYSA-N 396.512 4.251 0 1 GIAF COc1cccc(OC)c1-c1ccc(C[C@H](Nc2ccccc2)C(=O)O)cc1 13439223 SDNYETHBJMIURC-IBGZPJMESA-N 377.440 4.479 0 1 GIAF Cc1cc(C)c(/C=C2\C(=O)N(C)c3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1 13445434 WAYQKXZMUDFDDG-JYRVWZFOSA-N 397.841 4.475 0 1 GIAF Cc1cccc(C(=O)c2cc3c(cc2-c2ccc(S(C)(=O)=O)cc2)OCO3)c1 13530447 XGHOLHFMDXVGFB-UHFFFAOYSA-N 394.448 4.025 0 1 GIAF COc1cc(O)c([C@@H]2CC(=O)c3ccc(O)cc3O2)c(OC)c1CC=C(C)C 14762628 CENDIAJZASJQBF-FQEVSTJZSA-N 384.428 4.330 0 1 GIAF endogenous,in-man CO[C@H](Cc1scnc1C(=O)Nc1nccs1)c1cccc(Cl)c1 28462041 KSNHLOPSWRIVGL-GFCCVEGCSA-N 379.894 4.436 0 1 GIAF C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H](c2ccccc2)[C@H]1C(=O)c1ccccc1 37238549 OAYJGVAWFFIKCD-VPZZLVTDSA-N 382.463 4.109 0 1 GIAF biogenic CCC[C@H](C)Nc1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12 40410032 RKVPQTFSKLVVAF-ZDUSSCGKSA-N 383.496 4.334 0 1 GIAF CC(=O)CN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)[C@@H](C)C1 40874910 MIXYMKFBPWKETL-LBPRGKRZSA-N 394.972 4.206 0 1 GIAF Cc1nn(Cc2ccccc2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 49783654 XOUOKRMHXOPQDE-UHFFFAOYSA-N 385.870 4.200 0 1 GIAF COc1ccc2cc([C@H](C)C(=O)OCN(C)C(=O)c3ccccc3)ccc2c1 72178986 HDFOONGGPXJNEN-INIZCTEOSA-N 377.440 4.225 0 1 GIAF O=C(NCc1ccccc1)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 82192404 CALZUVNRGJAFQJ-IBGZPJMESA-N 381.476 4.234 0 1 GIAF O=C(CCCCN1CCCCC1)Nc1nnc(-c2ccc(Cl)cc2)s1 84740163 JWKYJUPITPBTSR-UHFFFAOYSA-N 378.929 4.453 0 1 GIAF O=C(c1cc(Br)c[nH]1)N(Cc1ccc(O)cc1F)CC1CCC1 103232614 GEFQHBCUBXSGGC-UHFFFAOYSA-N 381.245 4.064 0 1 GIAF NC(=O)c1ccc2[nH]c(-c3ccc(C(=O)c4ccc(Cl)cc4)cc3)nc2c1 116014840 JYMJBMCVVCWXLB-UHFFFAOYSA-N 375.815 4.213 0 1 GIAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCCC2)cn1 141235028 XYWPLMRGWADGHX-UHFFFAOYSA-N 377.444 4.296 0 1 GIAF C[C@H](NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1)C1(C)CC1 167050993 DUDPDYCVFDVEJG-AWEZNQCLSA-N 381.451 4.292 0 1 GIAF CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169358566 GYORZCSFWWIIFC-SVWLCPBZSA-N 388.596 4.382 0 1 GIAF CCOC(=O)[C@H](C(=O)Nc1ccccc1Cl)C1=NC(C)(C)Cc2ccccc21 169688304 VWSLUTFHLASBAD-SFHVURJKSA-N 398.890 4.282 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885488 VECTUOXYWILHAI-PSGYZZSVSA-N 375.266 4.491 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 586917247 RRLHWDKAWHXKJR-VOJFVSQTSA-N 376.243 4.481 0 1 GIAF Cc1ccc2c3c(cc(CC(=O)NCc4ccco4)nc13)-c1ccccc1C2=O 586997636 UMLXIUBZTQWRSZ-UHFFFAOYSA-N 382.419 4.207 0 1 GIAF N[C@@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccccc1Cl 587057858 SESNEUYPXIWEHY-JTQLQIEISA-N 386.080 4.270 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3c(Br)cccc31)O2 587371170 JAQFWYICSJLBHR-LJQANCHMSA-N 388.261 4.373 0 1 GIAF COc1cc2c3c(c1)O[C@@](CCCC(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587424288 YKMRQNGWDRBRPV-KKSFZXQISA-N 386.831 4.246 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)OC)c3ccccc13)CC2=O 587476221 QIWREHYCXQMIHP-OAQYLSRUSA-N 393.439 4.179 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(/C=C/C(=O)O)=COc2ccccc21 587490693 XZRLNODMUUKUPU-HDFUYHJRSA-N 392.407 4.123 0 1 GIAF COc1nc(N2CCCC2)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516155 YYNHJGSUOHFVLZ-HXUWFJFHSA-N 378.472 4.276 0 1 GIAF C[C@@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587518284 DXUVHNCPPPZLOH-DEOSSOPVSA-N 377.484 4.283 0 1 GIAF CCc1cc(OC)c(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587592198 JBUURNCIMYUYDY-WMZHIEFXSA-N 392.407 4.372 0 1 GIAF CCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597199 QAUZCRWCABGCDV-ZDWFVDTJSA-N 398.455 4.482 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(C(F)(F)F)N1 587708652 CVDORVOVYTWLPP-RFAUZJTJSA-N 389.190 4.323 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(C(F)(F)F)N1 587708758 DHVMQHLXBWAKAG-BJOHPYRUSA-N 389.190 4.323 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc3c2OCOC3)N1 587735892 VQBJFCNANYICEY-VVVCHXIZSA-N 396.231 4.217 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2-c2ccccc2)N1 587762656 ZDGTVMIQKSEDTK-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccco3)n(C)n2)N1 587762860 GNIIXULUZHSFLD-MLCYQJTMSA-N 390.256 4.205 0 1 GIAF CCOC(=O)CC[C@@]1(C2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587797166 LZNODIARIIUFOL-ZMZPIMSZSA-N 384.289 4.071 0 1 GIAF COc1ccc2c(c1)OCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587833166 FSAFTVYGTLILMW-WLRWDXFRSA-N 392.268 4.157 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=Cc3cc(O)ccc3OC2)N1 587836903 YMRZTDMGSLXBAS-GIGQVBGESA-N 390.252 4.345 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncnc(Cl)c1N 587854409 DWKPBCZROSPHEH-UHFFFAOYSA-N 384.654 4.270 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCc1nc2ccccc2[nH]1 587873262 XADYLCRNODYVOI-UHFFFAOYSA-N 378.407 4.237 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc(C[C@@H]4CCC(=O)[C@H]4C)[nH]c3c2)cc1 587964026 YLKHAPHQBWDFKD-ZFWWWQNUSA-N 378.428 4.300 0 1 GIAF CC(C)NC(=O)[C@]1(C)C[C@@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 914431231 ONJDWAYKGBYQHM-ZRCGQRJVSA-N 380.488 4.205 0 1 GIAF C[C@@H]1CCCN1[C@H]1CC[C@H](c2ccc(N3CCCC4(CCNCC4)C3=O)cc2)C1 1772635981 XRCFSLPGQATEKC-NWSQWKLXSA-N 395.591 4.304 0 1 GIAF Fc1ccc([C@@H]2CCCN2CCCn2nnc(-c3ccc(Cl)cc3)n2)cc1 1857582990 JOQGMDIEPZSULE-IBGZPJMESA-N 385.874 4.360 0 1 GIAF COc1ccc(Nc2nc(Cl)[nH]c(=Nc3ccc(F)c(Cl)c3)n2)cc1 1857744689 XQXWVVKTZURFKG-UHFFFAOYSA-N 380.210 4.235 0 1 GIAF COC(=O)C=C1CC[C@]2(O1)[C@H](C)CC[C@@H]1C(C)(C)[C@H](OC(C)=O)CC[C@@]12C 2356611081 IFXOQBCVGIFCLI-BWJXLQTRSA-N 378.509 4.397 0 1 GIAF CC(=O)OC=CC(=COC(C)=O)[C@H](C[C@@H]1C(C)=CCCC1(C)C)OC(C)=O 2356859206 SSBRJAXNTZJRDB-UXHICEINSA-N 378.465 4.215 0 1 GIAF C[C@@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)N1c2ccccc2C[C@H]1C 3446308 BWAGUYHGOJSUMU-HZPDHXFCSA-N 390.439 4.277 0 3 GIAF CCC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(F)cc1c2=O 61921266 GCSVFVZWRVYLKQ-LJQANCHMSA-N 387.414 4.263 0 3 GIAF O=C(COc1ccccc1)N[C@@H]1c2ccccc2CC[C@H]1OCc1ccccc1 61959081 NUDBCJOKPRVDOA-ILBGXUMGSA-N 387.479 4.455 0 3 GIAF CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl 773031 UMTWVSSLAQIGMX-NVXWUHKLSA-N 381.234 4.313 0 1 GIAF COc1cc(C(C)=O)ccc1OCCN1CCC(c2noc3ccccc23)CC1 12356295 WNCLNNYXHNIVAT-UHFFFAOYSA-N 394.471 4.297 0 1 GIAF Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCCC3 13488020 IOXYLQYEPCUPNE-GMAHTHKFSA-N 389.543 4.246 0 1 GIAF CN(CC[C@@H](c1ccc(Cl)cc1)c1ccccn1)C(=O)CCc1c[nH]cn1 13490246 ZRAKLIBDXCYNGY-IBGZPJMESA-N 382.895 4.071 0 1 GIAF c1ccc2c(c1)C[C@@H]2CCCCN1CCN(c2cccc3c2OCCO3)CC1 13743663 ZDUZQLINQVIXPB-FQEVSTJZSA-N 378.516 4.090 0 1 GIAF CC(=O)OCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 15165010 CUIYYSCXUREZKH-AGOPTVSRSA-N 378.509 4.495 0 1 GIAF COc1cccc2c1CCC[C@H]2NCCN1CCN(c2ccc(Cl)cc2)CC1 26673251 CIXHJOHVILFKGB-JOCHJYFZSA-N 399.966 4.138 0 1 GIAF CCCCN(C=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 36189669 CHFVUVDSWHAXBF-CLERKUBRSA-N 388.596 4.477 0 1 GIAF CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCCN(CC3CC3)C2=O)CC1 43179265 CQIVACKSIGNLEU-UHFFFAOYSA-N 395.547 4.149 0 1 GIAF O=C(O)CC[C@@]1(c2ccccn2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 48998548 IXTGDXLZCDARRX-FQEVSTJZSA-N 387.867 4.166 0 1 GIAF O=C(N[C@H]1CCC[C@@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 66074134 ZMKULNNAJKQJNK-NWDGAFQWSA-N 388.773 4.047 0 1 GIAF Cc1cc(C2=C[C@@H](c3ccccc3Cl)N(C(=O)c3ccncc3)N2)ccc1O 103197725 KJFVNJIDMDOKDH-FQEVSTJZSA-N 391.858 4.492 0 1 GIAF Cc1cccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)O)cc2)c1 115732021 XOHPYZPFPXUVQC-UHFFFAOYSA-N 395.480 4.084 0 1 GIAF Cc1cc(C(F)(F)F)ccc1C(=O)N[C@]1(c2ccccc2)CCCN(C)C1 144082669 LFYCGQDNDXHJED-HXUWFJFHSA-N 376.422 4.365 0 1 GIAF O[C@@H](CCNCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 204420047 WGFWOUPIFYUBOJ-IBGZPJMESA-N 387.405 4.376 0 1 GIAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@H](c2ccncc2F)NC(=O)N1 206346923 BHCIOPHNKQZOLR-SFHVURJKSA-N 391.431 4.001 0 1 GIAF N[C@H](Cc1cscn1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587029323 ODTWOMPMPUZXGN-SECBINFHSA-N 391.216 4.043 0 1 GIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587078819 BRQJIVZVSQMUIN-SECBINFHSA-N 382.748 4.497 0 1 GIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2c(Br)ccnc2[nH]1 587108354 JLKQSXAPFXSBQW-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF Fc1ccccc1CCc1nc2c(Br)cnc(Br)c2[nH]1 587150472 RGFIBUKEYUCJQB-UHFFFAOYSA-N 399.061 4.407 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3cc4ccccc4cc3[nH]2)CCC(O)CC1 587236858 GLCCNKOLDMOPHO-UHFFFAOYSA-N 381.476 4.371 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348338 NTXPNZFZKCTOSX-OFSQETHSSA-N 398.430 4.382 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ccc1OCC(=O)O)CC2=O 587463423 WVROYHXMKOCICT-SFHVURJKSA-N 390.819 4.168 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1NC(=O)OC(C)(C)C)CC2=O 587470424 NBJJAHXIMIGFSW-DYESRHJHSA-N 375.465 4.126 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC2=O 587474020 BWAQWOCAQGVABQ-JLCFBVMHSA-N 389.492 4.326 0 1 GIAF CCOC(=O)C(F)(F)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587500512 PLIKZMRBFYRYQU-JLTOFOAXSA-N 378.415 4.268 0 1 GIAF COc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587549912 TVCNPIOSUCLGSE-DYESRHJHSA-N 397.814 4.326 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(Cl)cc2)N1 587695506 BMTJADQGBLSCEK-VVVCHXIZSA-N 398.659 4.104 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](c3ccnn3C)C2)N1 587762353 XSUQTYBCPPQZTR-SPKLELGKSA-N 392.316 4.409 0 1 GIAF CCOc1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc1C 587778064 IMTJADVGAQDPQU-UHFFFAOYSA-N 384.379 4.231 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@H]1CC[C@@]2(C)C1(C)C 587818114 PYMZQHKMOZORJX-NLWJUZDLSA-N 380.301 4.343 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2nccs2)N1 587854560 QWUWQMDCAAZUEX-QFYYESIMSA-N 392.297 4.459 0 1 GIAF Cc1c(F)ccc2c1[C@@H](c1sc(=O)n(Cc3ccccc3)c1Cl)NCC2 962299521 OIIGQIYQLFZVAX-KRWDZBQOSA-N 388.895 4.294 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](c2ccc(Cl)cc2)(C2CC2)N1 963216649 CBGVOADBHWLOEL-IFMALSPDSA-N 378.859 4.141 0 1 GIAF Cc1cccc([C@@H](C)N=c2[nH]c(C)nc3ccc(-c4ccc(=O)n(C)c4)cc23)c1 1857534786 LCQCODORYCOYSJ-MRXNPFEDSA-N 384.483 4.207 0 1 GIAF CNC(=O)c1cccc(-c2cc(C3(CNc4ccccc4F)CC3)ccn2)c1 1857574983 DMEUJYHLCFYJBN-UHFFFAOYSA-N 375.447 4.391 0 1 GIAF COc1ccc(-c2nc3nnccn3c2-c2ccc(OC(F)(F)F)cc2)cc1 1857629847 XMAOZFASXLEHKS-UHFFFAOYSA-N 386.333 4.366 0 1 GIAF CC(=O)N[C@@H](C)/C=C/c1cnc(Oc2ccc(OCC3CC3)cc2Cl)cn1 1857758107 JHCIRKUJOMTXGE-YIALFULDSA-N 387.867 4.249 0 1 GIAF Cc1ccc(S(=O)(=O)N(Cc2cccs2)c2ccc(C(=O)O)cc2)cc1 1857769950 GZNBLIHXCLMAEH-UHFFFAOYSA-N 387.482 4.150 0 1 GIAF CCC=Cc1c(OC)cc(=O)oc1C[C@H](CCC)c1c(OC)cc(=O)oc1C 2356407939 QAOMGVDFBNZRMP-HNNXBMFYSA-N 388.460 4.468 0 1 GIAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCCCc4ccccc4)[C@@H]4C=C[C@@H]1[C@H]2[C@H]43 2356430173 OVHYDIJYSJGQRI-VPTMNIGTSA-N 378.512 4.476 0 1 GIAF CC(=O)CC[C@@H]1[C@@H]2[C@H](O)[C@H](C(C)C)[C@@H](OC(=O)C=Cc3ccccc3)C[C@]21C 2356531818 MZRGOEIFXVZAOF-HHIDFCRSSA-N 384.516 4.270 0 1 GIAF CC(C)n1cc(CC(=O)N(C)C[C@H]2CCCN3CCCC[C@@H]23)c2ccccc21 2356576088 NRICPCTZSCWHAW-KNQAVFIVSA-N 381.564 4.488 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@H]2C[C@@H](O)CC[C@]21C 2356814527 CILFZDDLSHDCJG-RNLVJVITSA-N 378.553 4.088 0 1 GIAF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N(C)C 771957 IZGGVUXLSMMTSF-HKUYNNGSSA-N 390.842 4.058 0 1 GIAF COc1cc2c(=O)n3c(nc2c2c1OC(C)(C)C=C2)-c1[nH]c2ccccc2c1CC3 14637258 RJZJYBABALQRLI-UHFFFAOYSA-N 399.450 4.294 0 1 GIAF biogenic COc1ccc(C(=O)O)cc1-c1[nH]nc2nc(Nc3ccc(F)cc3F)ccc12 28565154 RQAGKGKCMHDEOZ-UHFFFAOYSA-N 396.353 4.354 0 1 GIAF CC1(C)[C@H](CC(=O)O)[C@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1 28648248 FPSTULSQRYACMJ-TZIWHRDSSA-N 380.488 4.276 0 1 GIAF CC(C)NC(=O)c1cccc2c(C(=O)O)c(O)c(-c3ccc(Cl)cc3)nc12 35086964 VGVUYCLTZVROKM-UHFFFAOYSA-N 384.819 4.097 0 1 GIAF NC(=O)c1cccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)n1 35259961 HSSWVCXBDHBFNI-UHFFFAOYSA-N 377.444 4.211 0 1 GIAF Cc1nn(-c2ncccc2Cl)cc1CN1CCC2(CC1)OCc1ccccc12 40401687 WCFLEQVQRJVHDH-UHFFFAOYSA-N 394.906 4.251 0 1 GIAF COc1cc(-c2nc(C(=O)O)cc3c4ccccc4n(C)c23)cc(OC)c1OC 40423105 NCVUTLXUDQIUQG-UHFFFAOYSA-N 392.411 4.118 0 1 GIAF O=C(COc1ccccc1Cl)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 66147738 CHHKXTMXFDBCEX-UHFFFAOYSA-N 383.835 4.286 0 1 GIAF CC(C)c1nccn1C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 73161264 HWYMPDINUKEZLP-FQEVSTJZSA-N 392.499 4.262 0 1 GIAF Cc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)OCCC3CCCCC3)co2)cc1 82070824 XIVFUFVQXVIEPD-MRXNPFEDSA-N 384.476 4.282 0 1 GIAF COc1cc2nc(NC[C@@H]3CCCO3)nc(NCCC(C)(C)C)c2cc1OC 82129852 YEGMUUMNQJBKSS-AWEZNQCLSA-N 388.512 4.086 0 1 GIAF Cc1ccc(-c2cc(C(=O)N3C[C@H](CC(C)C)NC(=O)[C@@H]3CC(C)C)no2)cc1 103265317 CRNPYZBNXLUDLG-ICSRJNTNSA-N 397.519 4.051 0 1 GIAF CNC(=O)Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 167790917 HOFUAAFMOZVLMP-UHFFFAOYSA-N 391.452 4.180 0 1 GIAF C[C@H](c1cccc2cccnc12)N1CCC(C(=O)NCc2cccc(F)c2)CC1 169312124 QSTKNFZQDYFXGZ-QGZVFWFLSA-N 391.490 4.463 0 1 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](CF)c4ccccc4)ncc23)ccn1 261102895 GUIHYEBGUJWSRQ-SFHVURJKSA-N 390.422 4.161 0 1 GIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCN(C5CCCCC5)CC4)[C@@H]3C=C12 504278130 DUGACSPHBUDFSB-PLRSXRBSSA-N 398.591 4.171 0 1 GIAF biogenic CC(C)(C)OC(=O)Nc1nc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cs1 587019028 FLISKBDYDZIXDZ-UHFFFAOYSA-N 399.398 4.371 0 1 GIAF CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c12 587026777 HZOPISKBYWJIEF-UHFFFAOYSA-N 383.498 4.209 0 1 GIAF Cc1cnc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c2c1 587091346 IZMPPSTVNNCFJW-UHFFFAOYSA-N 376.260 4.288 0 1 GIAF Fc1cnc2nc(-c3cc(-c4ccccc4)nc4cc(C(F)(F)F)nn34)[nH]c2c1 587120029 OCGFKDOJBOOFQB-UHFFFAOYSA-N 398.323 4.493 0 1 GIAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(CCO)cc4[nH]3)c(F)c2)c1 587138752 UFJWFGOWXVHGKN-UHFFFAOYSA-N 394.377 4.408 0 1 GIAF O=C(Nc1cccc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1)c1ccc(F)cc1 587162021 BAIQUVYDJLSEAG-UHFFFAOYSA-N 393.349 4.459 0 1 GIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC 587376113 HHHHAKBJEVKEHK-HNNXBMFYSA-N 392.249 4.063 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCN([C@@H](C)c4ccccc4)[C@@H](C)C1)[C@@H](C2)C3=O 587436300 PQYJUWACYFCCEB-LCJHSDAGSA-N 377.484 4.427 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ncccc1Br)CC2=O 587457135 FSTOKXAJJGAVHZ-GOSISDBHSA-N 376.250 4.383 0 1 GIAF COC(=O)c1cc(OC)cc(OC)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521931 DJAODNNUDLHFME-FQEVSTJZSA-N 396.439 4.076 0 1 GIAF CN1CCc2c(sc(N)c2[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587535039 HPCFEAWGHRZBDG-JOCHJYFZSA-N 382.529 4.078 0 1 GIAF COC(=O)c1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587557586 NMKVAUHDRCFVKI-NQIIRXRSSA-N 394.354 4.021 0 1 GIAF CCCc1cccc2c(-c3cnc(-c4ccc(C(=O)OC)nc4)s3)n[nH]c12 653784950 CZKLZQKFRIPFLY-UHFFFAOYSA-N 378.457 4.488 0 1 GIAF COC(=O)C[C@@H]1CCCCC[C@]12c1ccsc1CCN2Cc1cccn1C 962399062 PQTGDNHAZXBPGS-HTAPYJJXSA-N 386.561 4.484 0 1 GIAF COc1ccc2c(c1OC)[C@H](c1cccc(C(OC)OC)c1F)N(C)[C@H](C)C2 962627147 GPKNINRPQANZOJ-XCLFUZPHSA-N 389.467 4.100 0 1 GIAF CSCC1CCC2(CC1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962660437 HJHNSWTUSMDMJO-IVKVDSSUSA-N 384.545 4.082 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2ncc(-c3ccccc3)s2)N1 963240129 YADPCRVIQOGEOQ-QUCCMNQESA-N 387.464 4.047 0 1 GIAF Cc1cc2c(cc1O)[C@@H](C=C(c1ccccc1)c1ccccc1)N[C@H](C(=O)O)C2 963524247 KPNLDKJMCKVGKK-PKTZIBPZSA-N 385.463 4.473 0 1 GIAF CCN(CC)CCNC(=O)c1cc(-c2ccc(COC)cc2)nc2ccccc12 1240948815 BAJPGSIZDCNQFZ-UHFFFAOYSA-N 391.515 4.120 0 1 GIAF COc1ccc(Cn2cc(-c3cnc(N)s3)c(=O)c3cc(F)cc(F)c32)cc1 1772642404 GSWMHEASAJSQPZ-UHFFFAOYSA-N 399.422 4.042 0 1 GIAF Cn1cc([C@H]2CCCC(C)(C)C2)c2ccc(C(=O)NS(=O)(=O)C3CC3)cc21 1857612088 BZNCOYYCBYWLHU-HNNXBMFYSA-N 388.533 4.084 0 1 GIAF CCC[C@H](CC(=O)O)C1=CC(C)(C)Oc2cc(O)c3c(c21)O[C@H](C)[C@H](C)C3=O 2356440121 OJXMBTKCCGQFQW-YNEHKIRRSA-N 388.460 4.437 0 1 GIAF CCOC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNC(=O)c2ccc(F)cc2)C=C1C 2356780141 MUBGTXXKFWIAQS-NLWGTHIKSA-N 375.484 4.363 0 1 GIAF Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](C(=O)c4ccc(Cl)cc4)C3)c2c1 11664326 MGZKLERXCKVDRD-HNNXBMFYSA-N 381.863 4.260 0 3 GIAF O=C(NCc1cccc(Cl)c1)c1cc(COc2ccc3ncccc3c2)on1 11937207 LGUUCDMAEYIEFS-UHFFFAOYSA-N 393.830 4.385 0 3 GIAF COc1ccc(-c2n(-c3ccccn3)c3ccccc3[n+]2-c2ccccn2)cc1 37868907 MOOSWJLTUBMYCA-UHFFFAOYSA-N 379.443 4.373 0 3 GIAF CCC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(F)ccc1c2=O 61921269 QUOAVNHESIBJBZ-SFHVURJKSA-N 387.414 4.263 0 3 GIAF CN1c2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@@H](CC(=O)O)c2cccn21 1629075 OPCGMOIVUPNJIJ-IBGZPJMESA-N 395.846 4.217 0 1 GIAF C/C(=C1\CC(=O)N(c2ccc(C(C)(C)C)cc2)C1=O)c1cccc(C(=N)N)c1 12354982 ZGTXQBGGQAQPFQ-RGEXLXHISA-N 375.472 4.005 0 1 GIAF Cc1c(F)c(Oc2cccc(CO)c2)nc(Oc2cccc(C(=N)N)c2)c1F 13474029 JGNCAWPKZCFGOI-UHFFFAOYSA-N 385.370 4.029 0 1 GIAF O=C(N[C@@H](Cc1cccc2ccccc12)C(=O)O)c1ccccc1Br 13488297 STJHKVDBCPTSKW-SFHVURJKSA-N 398.256 4.028 0 1 GIAF NC(=O)c1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F 13518702 XLASIXRCZDFALS-UHFFFAOYSA-N 399.347 4.407 0 1 GIAF CS(=O)(=O)c1ccc(-n2cc(-c3ccc(F)cc3)c(C(F)(F)F)n2)cc1 14951785 ZFOJSDBIQICCNR-UHFFFAOYSA-N 384.354 4.101 0 1 GIAF CN1C[C@H](C[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c2ccccc21 28240593 OHOJWIUYNABDSD-UGKGYDQZSA-N 395.506 4.493 0 1 GIAF C[C@H]1CN2CCN(CCCc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1 35075251 MNHCHZSTMJKIPZ-QUURXOELSA-N 378.560 4.309 0 1 GIAF O=C(O)c1cccc(-c2nnc(C(=O)CCCCCCc3ccccc3)o2)n1 40393137 SGFRFQXFCIOQLN-UHFFFAOYSA-N 379.416 4.206 0 1 GIAF C[S@](=O)c1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1 40935565 YRYOKLCQUKMJCX-XMMPIXPASA-N 383.256 4.360 0 1 GIAF COc1ccc([C@H]2[C@@H]3CCCCC3=NN2S(=O)(=O)c2ccc(C)cc2)cc1 43013296 PNKFAHYERFQZEN-CTNGQTDRSA-N 384.501 4.295 0 1 GIAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(C(=O)c2ccccc2)c1N 45336149 RGUMRWXFPUOUPD-UHFFFAOYSA-N 397.434 4.386 0 1 GIAF Cc1ccc(C(=O)c2nc(NCCc3cccnc3)nc3ccsc23)s1 49089937 MAZVDJYDWJAHPI-UHFFFAOYSA-N 380.498 4.342 0 1 GIAF CC[C@H](C)CCCc1c(O)ccc2c1O[C@@]1(C2=O)C(Cl)=C(Cl)C(=O)N1C 68199231 WMKWPEBMZCUXQG-APBUJDDRSA-N 398.286 4.194 0 1 GIAF biogenic Cn1cc(-c2cc3c[nH]/c(=N\c4cccc(O)c4)cc3n2Cc2ccccc2)cn1 82083530 XOTGJLRGKQUFPL-UHFFFAOYSA-N 395.466 4.356 0 1 GIAF CC(C)(C)Cc1nc2c(NCc3ccccc3)ncnc2n1C[C@H]1CCCO1 82178718 PYHLLUOFMFPELI-QGZVFWFLSA-N 379.508 4.206 0 1 GIAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCC(=O)N1Cc1ccccc1 95565178 JSQPJZBDPXREDG-SFHVURJKSA-N 391.298 4.191 0 1 GIAF Cc1cc(F)cc(C)c1N1CCN(Cc2cccc(Cl)c2Cl)C(=O)C1=O 95565847 KEMVCZNCXXBHMR-UHFFFAOYSA-N 395.261 4.125 0 1 GIAF COc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 95595412 BZLVZBXMHHEQOF-UHFFFAOYSA-N 382.489 4.285 0 1 GIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3cc(Br)ccn3)C2)cc1 96172937 JKJBQGKHBJQGIQ-CYBMUJFWSA-N 389.293 4.194 0 1 GIAF COc1ccccc1NC(=O)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2)cc1 100101642 KYKPUCMTCWBZQJ-ACHVPNTGSA-N 399.494 4.334 0 1 GIAF CCCCn1c(=O)c(CC)c(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc21 100643196 AHJSSGHRTFNIFS-IAGOWNOFSA-N 396.531 4.146 0 1 GIAF Cc1ccc(Cl)cc1NC(=O)c1nc(C)c(C)nc1C(=O)NCCC(C)C 103169459 UGXCUTWWUATBHJ-UHFFFAOYSA-N 388.899 4.083 0 1 GIAF COc1cc(NS(=O)(=O)c2ccccn2)ccc1-c1cncc2ccccc12 114026639 SFFHDFTXFGOHOD-UHFFFAOYSA-N 391.452 4.106 0 1 GIAF CCCCCC(=O)c1c(O)c(Br)c(OC)c(Br)c1O 138685275 RJQGJIDUZSJGBU-UHFFFAOYSA-N 396.075 4.394 0 1 GIAF O=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(CN2CC[C@@H](C(=O)O)C2)cc1 143750177 KWWYLHWWHLDYHN-MRXNPFEDSA-N 392.282 4.325 0 1 GIAF COC(=O)[C@]1(Cc2ccccc2)CC(=O)O[C@@]1(C)c1cccc(C(F)(F)F)c1 203532631 RAJHCZJZFCFJMA-PMACEKPBSA-N 392.373 4.270 0 1 GIAF CCN1CCN(C(=O)c2cn(CC3CCCCC3)c3c(OC)cccc23)C[C@@H]1C 205020445 FCJAQMHQTHNQML-SFHVURJKSA-N 397.563 4.396 0 1 GIAF COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C=C(C)[C@H]2C)cc(OC)c1O 238776505 ATWSXGFADLBZMD-XIKOKIGWSA-N 386.444 4.317 0 1 GIAF CC[C@H](C)NC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1F 299882265 PKJZZLFLXHEXGD-OAGGEKHMSA-N 384.499 4.293 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586917521 SVZQRIGUOIGIGP-DGIBIBHMSA-N 378.325 4.336 0 1 GIAF Cc1ncsc1-c1c[nH]cc1-c1nc2c(F)cnc(Br)c2[nH]1 587028785 XANSCCBPFQWPTF-UHFFFAOYSA-N 378.230 4.287 0 1 GIAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(=N)[nH]cc4[nH]3)c(Cl)cc12 587078094 HJQYZSQLDYJTJI-SNVBAGLBSA-N 398.850 4.223 0 1 GIAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587171602 PSJFXKPRKXNKDP-OAHLLOKOSA-N 385.508 4.430 0 1 GIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1N 587336702 OFNPKULKXFIKJG-FYYLOGMGSA-N 393.414 4.396 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCn3ccnc3)c(Cl)c1)O2 587377311 WHXVWNILYSXFGS-HXUWFJFHSA-N 397.862 4.213 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(OCC)cc1)CC2=O 587480096 NDGHNNFMBAFJTB-QHCPKHFHSA-N 398.455 4.469 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CCO[C@H]1C21CCCC1 587606137 BMTCJXVUKVLRIP-XLQNLREZSA-N 378.424 4.072 0 1 GIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN(C)C(=O)OC(C)(C)C 587623708 ZXKODYSLAIAYLS-UHFFFAOYSA-N 393.285 4.482 0 1 GIAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F 587717466 GBYJOAXFOOAYDZ-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccco2)N1 587739446 GXAMYQQVCKODET-DAWCXUDSSA-N 379.273 4.034 0 1 GIAF CC[C@@]1(c2c(C)nn(C)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587757095 MTVCZBPUORYYBD-YPMLDQLKSA-N 380.305 4.126 0 1 GIAF C/C=C\CC[C@]1(CC(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587803677 BFJPFGYBKDFWLS-BFCFHPCHSA-N 384.289 4.237 0 1 GIAF CCC(=O)OC1=C(C)OC=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587829317 BSOVINHHNQFVET-MLCYQJTMSA-N 396.256 4.046 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2csc(C(=O)O)c2)N1 587847917 MSVNITROESSLSR-ZKANADHPSA-N 384.270 4.146 0 1 GIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(Br)c(F)c3[nH]2)cc1 587934765 GADVIQOLFSEWFJ-ABKXIKBNSA-N 379.229 4.310 0 1 GIAF CCOc1ccc(OCC)n1-c1nn(COc2ccccc2F)cc1Cl 587944724 FENKYTUVMPLKSE-UHFFFAOYSA-N 379.819 4.300 0 1 GIAF Cc1cc(C)c(-n2cccn2)c([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962730072 LPDPDOHCQFWCNA-MOPGFXCFSA-N 399.416 4.224 0 1 GIAF COCc1cnc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)s1 962948709 AWQZHBUYXPUBLG-INIZCTEOSA-N 398.450 4.049 0 1 GIAF CCCCN1CC2CN(CCCC)CC(C1)C21NCCc2c1sc(C)c2C 963016144 XOIPXVGEJRGSTL-UHFFFAOYSA-N 389.653 4.170 0 1 GIAF COc1ccc(C[C@@H]2CCC[C@@]3(C2)NC[C@H]2CC(=O)N(C)c4cccc3c42)cc1 963036747 VIFDROJFNFMXDT-CEYNDMKZSA-N 390.527 4.377 0 1 GIAF C[C@@]1(c2ccc(Br)c(N)c2)c2c(F)cccc2C[C@@H]2CCCN21 963112101 WOWJBJYABQAFFF-IFXJQAMLSA-N 375.285 4.454 0 1 GIAF CC(C)n1ncc2c(C(=O)Nc3ccccc3F)cc(-c3cccnc3)nc21 1772584613 XJOFIQSDJYLRJS-UHFFFAOYSA-N 375.407 4.466 0 1 GIAF CCCCCN1C(=O)C/C(=C\c2cccc(C(=O)Nc3cccc(F)c3)c2)C1=O 1857607068 GOPMGDDTNFNYGR-QGOAFFKASA-N 394.446 4.411 0 1 GIAF C[C@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc2ccccc2c1)N(C)C 1857613426 JRTJIFATICCDPS-VGSWGCGISA-N 395.572 4.304 0 1 GIAF CC(C)=CCCC(C)=CCC[C@@](C)(O)[C@@H]1Cc2c(O)cc3c(c2O1)CNC3=O 2356346901 CNUACMUVPKQEDD-NZQKXSOJSA-N 385.504 4.163 0 1 GIAF CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)COCC(=O)N3CC2CC2)c1 206058582 RTPDBPISIZPPJX-UHFFFAOYSA-N 392.499 4.109 0 3 GIAF COc1cc2c(c(O)c1OC)C[C@@H]1CCC(=O)N1[C@H]2c1cccc2ccccc12 1654662 VJAJEAOAEAKPMX-NYHFZMIOSA-N 389.451 4.199 0 1 GIAF OC[C@@H]1O[C@@H](c2ccc3c(c2)OCO3)C=C[C@H]1Oc1cc(Cl)cc(Cl)c1 7992647 JONOAXKZHQFNEU-SUMDDJOVSA-N 395.238 4.158 0 1 GIAF CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(-c2cccc(C)c2)n1 13445186 UCFZGWIWXKJBEY-UHFFFAOYSA-N 388.431 4.296 0 1 GIAF c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(CN4CCOCC4)cc3)c2)nc1 13684464 CJKRWSKFGYUCLA-UHFFFAOYSA-N 397.482 4.033 0 1 GIAF O=C(O)CCCCCCCn1nc(-c2ccccc2)n(-c2ccccc2)c1=O 13727532 RKJARBOLXYNDRS-UHFFFAOYSA-N 379.460 4.126 0 1 GIAF CCC(=O)[C@@H]1[C@@H](c2ccc(/C=C/I)cc2)C[C@@H]2CC[C@H]1N2 27902780 ZSIIPJGEQMLBAQ-OMNKJVMTSA-N 395.284 4.296 0 1 GIAF CCN1C[C@H]2C[C@@]2(c2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2)C1 35308965 RTBICRVBMOJALC-KNQAVFIVSA-N 384.545 4.204 0 1 GIAF Cc1csc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)c1 40846163 LSJKYSGIAAZQHT-UHFFFAOYSA-N 387.940 4.017 0 1 GIAF CCCc1[nH]c2cc(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1 43079676 KXBHPLHLIDWAKJ-UHFFFAOYSA-N 383.444 4.386 0 1 GIAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCCC3)cc2)[C@@H]1CNC1CCCC1 95871834 KIERJCWSVJBARA-JBRSBNLGSA-N 396.575 4.242 0 1 GIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(C(F)(F)F)cn3)C2)cc1 96172938 JKGVIFKMLHQLOB-CYBMUJFWSA-N 378.394 4.451 0 1 GIAF CCCCSc1cc(C(=O)O)cc(S(C)(=O)=O)c1Oc1ccccc1 169341359 XZCAEHORJLTXFO-UHFFFAOYSA-N 380.487 4.473 0 1 GIAF COc1ccccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccsc1)CC2 169702353 XUZDUEVSEQNNGG-UHFFFAOYSA-N 389.484 4.456 0 1 GIAF CN=c1[nH]c(C)c(C2=NN(c3ccccc3)[C@@H](c3ccc(OC)cc3)C2)s1 473120525 DWCFFISTQFIZNA-LJQANCHMSA-N 378.501 4.279 0 1 GIAF CCOC(=O)[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H](C)C1 586990149 ANFSJHBFPUKQRD-CHWSQXEVSA-N 387.435 4.381 0 1 GIAF Fc1cc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2cc1-n1cccn1 587004846 ZWGYSAXJOKOVSM-UHFFFAOYSA-N 397.211 4.194 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(OC)nc3[nH]2)c1 587147353 NLKHRXXZFHQDIO-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF O=C1C[C@@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)CN1Cc1ccc(F)cc1F 587149146 MABFHUQVGXTTIJ-SECBINFHSA-N 397.212 4.059 0 1 GIAF COC(=O)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2n1 587150955 VJMHNPYDEXQAGA-SFHVURJKSA-N 376.391 4.085 0 1 GIAF O=C1CC=C(c2nc3cc(Cl)cc(Cl)c3[nH]2)NN1Cc1ccc(F)cc1 587163957 PKSAPLFZJOMITP-UHFFFAOYSA-N 391.233 4.287 0 1 GIAF O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@H](C2)N3C2CC2)[C@@H]1c1ccc(F)cc1 587341393 WLTQBDCCMJOSRE-VTTPBLSISA-N 393.458 4.418 0 1 GIAF COc1cc(Br)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)c1 587378193 SKABVSSHNQKFCV-MRXNPFEDSA-N 392.249 4.063 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(I)c1)O2 587385498 DHJNLQLKJSLIEN-OAHLLOKOSA-N 397.187 4.027 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc3c(c1)CCCC3)O2 587408612 QTGKYILMHWTKRM-QHCPKHFHSA-N 379.456 4.182 0 1 GIAF C[C@H](CC(=O)O)[C@@]1(c2ccc(N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511615 QPEAFRAYYGKOFD-QKFKETGDSA-N 379.456 4.119 0 1 GIAF O=C1C[C@]2(CCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587513131 HSBHBDPPOTXXGL-DEOSSOPVSA-N 391.467 4.312 0 1 GIAF Cn1cnnc1Sc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587533776 VRCRXQBMZCXMRP-KRWDZBQOSA-N 381.457 4.145 0 1 GIAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O 587604658 VEASUAYMNPSCQR-HRULMYSOSA-N 378.424 4.118 0 1 GIAF COc1cc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587768073 CKHAGAOHZHVELY-YPMLDQLKSA-N 379.273 4.232 0 1 GIAF C[C@H]1CN(C(C)(C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@H](C)O1 587771755 XNDROEKPQBQDEU-OVSNFEJUSA-N 399.348 4.051 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(=O)O)(c2ccccc2)N1 587820522 AGFSVCHPYPQMNQ-ORINXLKPSA-N 390.252 4.007 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccsc2C(=O)O)N1 587844369 NKSLFUBIFIZUFD-ZKANADHPSA-N 384.270 4.146 0 1 GIAF CC[C@@]1(c2ccccc2N)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963184077 PXJBVDTYFGVTIU-AEFFLSMTSA-N 398.812 4.194 0 1 GIAF O=C1Nc2ccccc2C1=CNCCCNc1ccnc2cc(Cl)ccc12 1857622581 KZJSKZMQNIYWDZ-UHFFFAOYSA-N 378.863 4.273 0 1 GIAF CN(CC[C@@H]1CN(C(=O)C2CCCCC2)CC[C@@H]1CC(=O)O)c1ccccc1 2356832795 IDJQPXGWCZFISJ-WOJBJXKFSA-N 386.536 4.033 0 1 GIAF Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N1CC(=O)Nc2ccccc21 3625535 PVBXNUKMOFVKDE-HSZRJFAPSA-N 385.467 4.442 0 3 GIAF CCC(CC)c1nn2c(N)c(/C=C3\C(C)=Nc4ccccc43)c(=O)nc2s1 15952628 VYNUPHHPEGLRPW-GXDHUFHOSA-N 379.489 4.283 0 3 GIAF CC(C)C(C/C=C1\C[C@@](CO)(COC(=O)C2CCCCC2)OC1=O)C(C)C 1655269 MQVKKNWFZZUPHW-HPBYZVIZSA-N 380.525 4.033 0 1 GIAF C[C@H]1CCC[C@H](NC(=O)[C@H]2c3ccccc3C(=O)N2Cc2cccs2)[C@@H]1C 13144259 GBUAIQSYTFUVOO-IDENBPMYSA-N 382.529 4.386 0 1 GIAF C/C=C\[C@H]1C[C@H]1C1=C(Br)[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1 14962863 DSVLSFOHBJOXOY-JKBCNJGASA-N 388.099 4.425 0 1 GIAF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1cccc(OC)c1)CCCC3 28968835 PQXUGFFGKUMGFF-UHFFFAOYSA-N 391.471 4.252 0 1 GIAF COc1ccccc1-c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(N)s1 35907570 TVDSTOWADXRCKX-UHFFFAOYSA-N 399.468 4.263 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)N(C(=O)NC(C)C)CC2 40848526 WZAZJEIJHYJHJH-FQEVSTJZSA-N 388.895 4.423 0 1 GIAF O=C(Nc1ccc(Br)cc1)c1nscc1NCc1ccncc1 40897495 KFOLYIMICUBNES-UHFFFAOYSA-N 389.278 4.165 0 1 GIAF Cc1c(CN2CCN(C(=O)NCc3ccccc3)CC2)sc2ccccc12 43120904 BXOTXZNMLKCPDN-UHFFFAOYSA-N 379.529 4.237 0 1 GIAF CCn1c2ccncc2c2cc(NS(=O)(=O)c3ccc(OC)cc3)ccc21 64559355 ODYNJAIJHKZQNC-UHFFFAOYSA-N 381.457 4.019 0 1 GIAF CCC(=O)N(CCCCCCCCN)C1CCN(CCc2ccccc2)CC1 66112565 MCGVAOBFKMWLHB-UHFFFAOYSA-N 387.612 4.231 0 1 GIAF c1csc(CNc2ncnc3c2nc(-c2ccsc2)n3C[C@H]2CCCO2)c1 82222798 UACNIBMZMWSQQB-CQSZACIVSA-N 397.529 4.407 0 1 GIAF CCCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 95593914 SLQHTPCPPZTKBH-UHFFFAOYSA-N 391.511 4.277 0 1 GIAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC(C)C)[C@H]2c1ccncc1 102845601 ZZUGKSTUCOIEGU-VVTMIQRTSA-N 386.477 4.122 0 1 GIAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1F)c1ccco1 103192507 AECHNKXGMALLNK-HNNXBMFYSA-N 392.703 4.179 0 1 GIAF CC(=O)Oc1c(CC=C(C)C)c(O)c(C(C)=O)c(OC(C)=O)c1CC=C(C)C 238756883 AMUOBJQHMHEDCE-UHFFFAOYSA-N 388.460 4.463 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586885889 AIAQLDFHBQLLET-WLNNIECUSA-N 387.549 4.061 0 1 GIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4ccncc4[nH]3)cc2)c1C 586947489 OYPCBWMFLHWFPT-UHFFFAOYSA-N 378.457 4.043 0 1 GIAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)OCO3 586994963 BKJXBEGASHDFCT-UHFFFAOYSA-N 375.222 4.368 0 1 GIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 587044651 KVNMSIUBTPXVNL-UHFFFAOYSA-N 379.203 4.136 0 1 GIAF Nc1ncnc2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587071775 RDAXGHNXYMPGMI-TWGQIWQCSA-N 377.835 4.338 0 1 GIAF CC[C@@H](Oc1ccccc1F)c1nc2cc(I)cnc2[nH]1 587154215 AERUVIROVYGZAN-GFCCVEGCSA-N 397.191 4.232 0 1 GIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(O)c1 587240543 KGVXMYCHEVPPPX-UHFFFAOYSA-N 397.438 4.301 0 1 GIAF CCOC(=O)[C@@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439765 CWBCMGUFWAPMAF-DVECYGJZSA-N 388.419 4.054 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4C(=O)O)o1)[C@@H](C2)C3=O 587456969 YQKYMZCGQBTOIQ-YCRPNKLZSA-N 376.364 4.142 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)c(O)cc12 587574136 ZCPBTRLWAKQOJH-SIKLNZKXSA-N 378.355 4.040 0 1 GIAF CC(=O)Nc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578207 MYKHVBADONRMHO-KNQAVFIVSA-N 375.380 4.054 0 1 GIAF CCC[C@]1(c2c[nH]c(C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590118 RAQOTKQCDPJWBB-XMSQKQJNSA-N 393.395 4.076 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Cl)cnc2Cl)N1 587707455 VXFZFVBIABUDRG-PWCHPLFNSA-N 391.071 4.309 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]c3nccc-3cc2F)N1 587728858 UCHZVDHUKRLZLC-AYVTZFPOSA-N 378.220 4.179 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN(C)C)cc2)N1 587740316 JFCRHZMPBQKJMW-BLVKFPJESA-N 377.301 4.273 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587805063 GIKCDWBTOJCIQG-VOJFVSQTSA-N 392.268 4.307 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 587870881 KNNDDJRRPANKRT-LLVKDONJSA-N 396.344 4.205 0 1 GIAF COc1ccc(C[C@H](C)c2nc3cncc(Br)c3[nH]2)cc1OC 587925681 GLPPTRIUXUTEGT-JTQLQIEISA-N 376.254 4.084 0 1 GIAF COc1ccc2c(c1)c(CCNC(=N)N)cn2Cc1ccc(Cl)c(Cl)c1 653796581 GZZPHGYEFVDJQV-UHFFFAOYSA-N 391.302 4.031 0 1 GIAF COC[C@]1(c2cccc(C(F)(F)F)c2)NCC(C)(C)c2ccc3c(c21)OCO3 963390346 HTEMHEIZQYKFRM-HXUWFJFHSA-N 393.405 4.205 0 1 GIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2cccc(C)c2)C(=O)OC)cc1 1772585178 GNJONKFJXUTEEH-FDDCHVKYSA-N 397.515 4.383 0 1 GIAF COc1ccc(NC(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC 1857575602 UJKJCHIFOOHPDX-UHFFFAOYSA-N 387.407 4.288 0 1 GIAF COc1ccc(N2CCC3(CCN(c4ncccc4C)CC3)C2=O)cc1Cl 1857589899 KBNXIVSVORFTMY-UHFFFAOYSA-N 385.895 4.076 0 1 GIAF O=C(CCCCN[C@]1(c2ccccc2Cl)CCCCC1=O)N1CCCCC1 1857601407 PVAPOLCDZSMXAA-QFIPXVFZSA-N 390.955 4.451 0 1 GIAF Cc1nc2ccc(C(=O)NC(C)C)cc2n2c(-c3ccccc3Cl)nnc12 1857643893 FILQWARKCVPOPJ-UHFFFAOYSA-N 379.851 4.045 0 1 GIAF Cc1c(C(=O)NN2C(=O)[C@H](C)SC23CCCC3)[nH]c2ccc(Cl)cc12 1911570763 UVSFKVNKOTXUOM-NSHDSACASA-N 377.897 4.009 0 1 GIAF O=C(CCc1nnc(CCCCc2ccccc2)o1)NCc1cccc(F)c1 12431690 NAIRBTHRQPYSJN-UHFFFAOYSA-N 381.451 4.023 0 3 GIAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccc(Cl)cc3Cl)C[C@@H]12 205220614 IXRCQDFDYUVICB-WBVHZDCISA-N 375.255 4.177 0 3 GIAF CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl 4296618 UMTWVSSLAQIGMX-RDJZCZTQSA-N 381.234 4.313 0 1 GIAF CCN(CC)CCSc1nc(=O)c(-c2ccccc2)c(O)n1-c1ccccc1 104273801 CGUYKMZHDPAYFZ-UHFFFAOYSA-N 395.528 4.039 0 3 GIAF C[C@@H](C[C@@H](O)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 27719316 OTRAYPQDIGAWSD-CYFKIHERSA-N 392.580 4.478 0 1 GIAF COc1ccc(CNC(=O)Nc2nc([C@@H](N)CCc3ccccc3)cs2)cc1 61897660 PWISPUWCSQOVJU-SFHVURJKSA-N 396.516 4.106 0 3 GIAF O=C(c1cc2cc(OC(F)(F)F)ccc2o1)N1CCC[C@H]1CN1CCCC1 36188009 CHDYJNKSXTWIGQ-AWEZNQCLSA-N 382.382 4.032 0 1 GIAF CN(CCN)Cc1ccc(-c2ccc(-c3nc4cc(F)ccc4[nH]3)s2)cc1 45337047 UUAGGFUSFIZHJW-UHFFFAOYSA-N 380.492 4.488 0 1 GIAF CCOC(=O)c1cn(CP(=O)(OC(C)C)OC(C)C)c2ccccc2c1=O 84689558 MZTXHMPNYPFKFW-UHFFFAOYSA-N 395.392 4.179 0 1 GIAF CCOc1ccccc1CNc1cc(Oc2cc(OC)cc(OC)c2)ncn1 82068288 IODQUDSBSHCLMT-UHFFFAOYSA-N 381.432 4.297 0 1 GIAF O=C(Cc1ccccc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@H]21 95877502 HPLLNSLMMJDLCP-NZJKTDFXSA-N 398.506 4.272 0 1 GIAF COc1ccc(Nc2ccc(Oc3nccnc3C3CCOCC3)cc2)nc1 148150701 NMXXKCZHCDXTAG-UHFFFAOYSA-N 378.432 4.310 0 1 GIAF COc1ccc(-c2cc(/C=C3\C(=O)Nc4cc(Cl)ccc43)[nH]n2)cc1OC 299870696 WSSBMUAOBWAEMN-DHDCSXOGSA-N 381.819 4.240 0 1 GIAF Cc1cc(NCc2cccc(C(F)(F)F)c2F)c2cccc(C(N)=O)c2n1 473087415 FJDURJGFJYLLGJ-UHFFFAOYSA-N 377.341 4.412 0 1 GIAF CCOc1ccc(Cc2c(OC(C)C)nn(-c3ncc(CC)cn3)c2C)cc1 299854512 AAMHHLWTRPYIMY-UHFFFAOYSA-N 380.492 4.310 0 1 GIAF CCCCc1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3O)n2)cc1 653818657 RKTQBEFVLMLGAW-UHFFFAOYSA-N 382.489 4.251 0 1 GIAF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)ccc1OCCc1ccccc1 587944192 CNJGKNAXBKYJJA-GOSISDBHSA-N 388.370 4.437 0 1 GIAF Cn1ncc2cc(F)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587567258 COMUOQAOBYKHIM-KNQAVFIVSA-N 390.370 4.121 0 1 GIAF O=C1c2ccccc2-c2cc(-c3ccc(N4CCOCC4)nc3)nc3cccc1c23 587105753 HMBNEMDMZOXRCL-UHFFFAOYSA-N 393.446 4.345 0 1 GIAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O 587446700 DJYFGSBHIMQUIZ-CYFREDJKSA-N 392.451 4.082 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCCF)c1 587556903 PLIWUTDOFKEAJK-DENIHFKCSA-N 380.371 4.443 0 1 GIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc1 587339452 QIWLTQWMOKHWJM-IFMALSPDSA-N 379.387 4.209 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(NC(=O)C(C)(C)C)c(Cl)n1)O2 587379852 LKSCBVDKJJMKNT-INIZCTEOSA-N 387.867 4.317 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)cccc1N1CCOCC1)CC2=O 587466531 OJAAVRSQASCICB-HSZRJFAPSA-N 399.462 4.201 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](C1)C21CC(=O)c2ccc3c(c2O1)CCCC3 587518162 CHIZTFIZROVQAC-QSVWGWLCSA-N 383.488 4.156 0 1 GIAF FC(F)(F)c1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cn1 587006405 IZJGTVLFLGYYRC-UHFFFAOYSA-N 382.143 4.054 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(C(F)(F)F)N1 587710300 ROYMRRKAADAUNS-PSLIRLAXSA-N 389.190 4.323 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C[C@H](C(=O)O)C2(C)C)N1 587832555 ZEKKCUNXGPXVEH-YLZOEATKSA-N 384.289 4.085 0 1 GIAF CCCCCOC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990265 XKSPPDUKRIDTJE-UHFFFAOYSA-N 375.424 4.428 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)C1 587792719 CIFLJQBIADTUGY-FENZULKGSA-N 398.316 4.317 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccn2-c2ccccc2)N1 587753819 JURIYJJXMOCOOR-SGTLLEGYSA-N 386.268 4.398 0 1 GIAF Cc1cc2c(cc1F)[C@](CCCCC(=O)O)(c1ccc(F)c(F)c1)NCC2 962141411 CITRMDWQWOIZQI-NRFANRHFSA-N 377.406 4.447 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@H](c2cc(F)c(Cl)nc2Cl)N1)C(F)(F)F 962730157 LZYMADUDLOVHRU-NWDGAFQWSA-N 393.167 4.263 0 1 GIAF COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 219425592 ZLKDFZIQKNAZBY-SNVBAGLBSA-N 382.243 4.493 0 1 GIAF CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)[C@@H]1C1CCCCC1 34230366 ARZUMHIABDHPTN-MRXNPFEDSA-N 396.256 4.285 0 1 GIAF COc1ccccc1CNC(=O)CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 12603754 PAXFCBOZBQFQAD-JNKARSBBSA-N 392.337 4.435 0 1 GIAF O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(F)n2)CC1 13782296 SPQWTMZQAGLHOX-UHFFFAOYSA-N 396.293 4.170 0 1 GIAF COCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4occc34)CC2)CC1 169026800 YNSPDEYTWHJYJV-PUZFROQSSA-N 398.547 4.324 0 1 GIAF CCCC(C)(C)[C@@H](O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 169324014 XGQFAGOOVNIUCC-UDHCHFQSSA-N 396.568 4.200 0 1 GIAF O=C1O[C@H](CCc2ccccc2)C(=O)[C@H]1SCc1cccc(C(F)(F)F)c1 169693690 LHGGVYPISQCFNW-SJLPKXTDSA-N 394.414 4.435 0 1 GIAF C[C@H](Cn1c(=O)sc2cc(C(=O)C34CC5CC(CC(C5)C3)C4)ccc21)N(C)C 1857594230 JZDGRXXXDPPIQV-KWJFTMPMSA-N 398.572 4.412 0 1 GIAF CCOC(=O)C1=C2CCCN2C(c2nccs2)=N[C@H]1c1ccc(F)cc1C 1857630944 MEEUZZVYQZKJTN-KRWDZBQOSA-N 385.464 4.005 0 1 GIAF CC1(C)CC(Cc2ccc(-c3ccc(-c4cn[nH]c4)cc3O)nn2)CC(C)(C)N1 146680464 SJIRMWMHWILMPD-UHFFFAOYSA-N 391.519 4.339 0 1 GIAF CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N(C)C 771757 WGMSXJCLURRXJN-HKUYNNGSSA-N 390.842 4.058 0 1 GIAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(O)c(OC)c1 959849 DIBKTVBSWKZSFK-OAHLLOKOSA-N 399.472 4.222 0 1 GIAF O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCNCC2 3780498 MUPLQQBSTUZKET-UHFFFAOYSA-N 376.544 4.250 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCO 4212799 NQJIAXUNYXPWFV-PKTZIBPZSA-N 394.515 4.476 0 1 GIAF Clc1ccc(C2=NO[C@@H](c3c[nH]c4ccccc34)[C@H]2CN2CCOCC2)cc1 103287892 NGYHFXZUBUOSAF-UGKGYDQZSA-N 395.890 4.245 0 1 GIAF O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cccnc1 102130815 BIHLYZJZNSJIGJ-LUKWVAJMSA-N 380.447 4.325 0 1 GIAF CCc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccs2)cc1 20685562 HEDRUNDAXJRNDL-UHFFFAOYSA-N 387.549 4.067 0 3 GIAF CC(C)=CCCC(C)=CCCC(C)=CCO[C@@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O 2356412631 WNCOHPCRBBRDAX-IEBWSBKVSA-N 396.480 4.051 0 1 GIAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@H]3[C@@H]1C5 28523020 GRNLHIJZMLLROK-WJQBNGMASA-N 396.490 4.258 0 1 GIAF C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O 27633354 YHPFWEDUGHFFTA-ASVJXSSTSA-N 384.516 4.450 0 1 GIAF COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@H](c1ccsc1)O2 26177097 IVLBXYAEHGMERI-IBGZPJMESA-N 387.482 4.277 0 1 GIAF NC(=O)[C@@H]1CCCN(CCCCOc2ccccc2/C=C/c2ccccc2)C1 27729763 MYZHBNIWWIIDNL-JXVRESAISA-N 378.516 4.213 0 1 GIAF Cc1ccsc1C(=CCCN1C[C@H](O)C[C@H]1CC(=O)O)c1sccc1C 38319163 LJBQPELFQMHCCO-JKSUJKDBSA-N 391.558 4.158 0 1 GIAF O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nc3ccccc3[nH]2)CC1 40914414 OAJQDPZNYNKFBE-UHFFFAOYSA-N 382.467 4.192 0 1 GIAF O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Oc2ccncc2)CC1 49052134 XBXUBZLJPGESQU-UHFFFAOYSA-N 380.275 4.141 0 1 GIAF O=C(O)C1=CCCN([C@@H]2CC[C@@]3(Cc4cc(F)ccc4Cc4ccccc43)C2)C1 43202672 PXJLHYOGLFJGQN-RCZVLFRGSA-N 391.486 4.480 0 1 GIAF Cc1cc(C(=O)N[C@@H](CN)c2ccccc2)sc1-c1ccnc2[nH]ccc12 40401551 JBCQEESWZIZBCS-KRWDZBQOSA-N 376.485 4.030 0 1 GIAF O=C(O)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3C(=O)O)n2)cc1 89469963 NJOOTPYHNUOYJJ-UHFFFAOYSA-N 384.779 4.014 0 1 GIAF COc1cc(-c2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2)ccc1O 143115242 CDDJPUXBKKUCDP-UHFFFAOYSA-N 387.395 4.483 0 1 GIAF NC1=N[C@@](c2ccncc2)(c2cccc(-c3cncc(F)c3)c2)c2cccc(F)c21 95577641 HLWMPHXAKRXVIS-DEOSSOPVSA-N 398.416 4.433 0 1 GIAF CCCCCNC(=O)NCCCC/C=C\CCCCCCc1noc(=O)[nH]1 148876463 PJQAIFWZADMVSY-ALCCZGGFSA-N 380.533 4.072 0 1 GIAF COc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CC[C@H](C(=O)O)C1 95580898 QVDWMUNEMKEXNZ-ZDUSSCGKSA-N 383.831 4.181 0 1 GIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc3cccnc3c2)n1 142087172 RFFANMRHRWNKFI-KBXCAEBGSA-N 377.448 4.179 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)C(=O)[C@@]4(C)CC[C@@H]32)C1 38289376 YALOOLVBDYZGLY-PALDOQLESA-N 390.520 4.072 0 1 GIAF biogenic O=C(/C=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)Nc1ccncc1 299865227 SWDOZDGLYNHTRX-CPNJWEJPSA-N 389.842 4.304 0 1 GIAF CC1(C)CCC(C)(C)c2cc(S(=O)(=O)c3ccc(CC(=O)O)cc3)ccc21 653723900 KKSJTCFCBMZBTB-UHFFFAOYSA-N 386.513 4.496 0 1 GIAF COc1ccc(Br)cc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587378979 YIYLWHDZUTUGCO-GOSISDBHSA-N 376.250 4.229 0 1 GIAF COc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1Cl 587235264 JSPJGCZAMNUYEW-UHFFFAOYSA-N 393.871 4.088 0 1 GIAF Cc1cnc(Cl)c2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc12 587028935 CCYNWKCLUKEMBO-UHFFFAOYSA-N 380.864 4.441 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587845682 FKWYQPHKHQGODA-GLEZIHRCSA-N 384.270 4.060 0 1 GIAF Oc1cc(-c2ccccc2F)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 587946502 WKGMSUFUXOXUMJ-UHFFFAOYSA-N 379.366 4.215 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)ccc(O)c1Br)CC2=O 587456257 LPPBAIGASFOOCU-OAHLLOKOSA-N 393.233 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC(F)(F)F)cc1)[C@@H](C2)C3=O 587421776 ROCVLUPPAVFBNA-KXBFYZLASA-N 378.346 4.299 0 1 GIAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC(F)F 587424467 YZDUQRIGJFXFOT-BFUOFWGJSA-N 376.355 4.184 0 1 GIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(C)c(C)c2[nH]1 586985149 RGRVRQLVAHJADB-KRWDZBQOSA-N 386.293 4.362 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2ccnc2)cc1 587574098 ANNBEDXYWIFWDN-REWPJTCUSA-N 384.391 4.281 0 1 GIAF O=C(O)c1cc(Br)cc2nc(COC/C=C/c3ccccc3)[nH]c12 587781115 PQQQVZAXSQBDGP-QPJJXVBHSA-N 387.233 4.254 0 1 GIAF CC(C)(C)OC(=O)N(Cc1nc2ccc(C(C)(C)C)nc2[nH]1)C[C@H]1CCCO1 587197050 HJBFOVQDOVOHMY-CQSZACIVSA-N 388.512 4.172 0 1 GIAF CCOC(=O)[C@@]1(c2ccc3ccccc3c2)CC(=O)c2cc(C)cc(N)c2O1 587398244 CZWDYNGWSBJGLT-QHCPKHFHSA-N 375.424 4.154 0 1 GIAF CCOC(=O)[C@@H]1CC(C)(C)C[C@@]12c1ccsc1CCN2Cc1cccnc1 962997179 KOTWBKXUYWHADV-PGRDOPGGSA-N 384.545 4.396 0 1 GIAF COc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)/C=C/c2ccccc2)C3)cc1 1370585 OVEFVKDQJZTAFY-KIEZTHHASA-N 390.527 4.410 0 1 GIAF Cc1ccc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)nn1 13610290 GWZLKOYBOFFDEB-UHFFFAOYSA-N 398.470 4.224 0 1 GIAF Cc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 169331495 XRHLWNKYCHYPJE-BDTNDASRSA-N 394.544 4.075 0 1 GIAF CC[C@@H](C)NC(=O)c1c(NC(=O)c2ccccc2Cl)nc2ccc(C)cn12 1857608885 XDQIWTVBSSWKJA-CYBMUJFWSA-N 384.867 4.077 0 1 GIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(C)c(C)cc4[nH]3)CC2)cc1 1326941 NULPPJAYOLKRFV-UHFFFAOYSA-N 383.517 4.056 0 1 GIAF Cc1cccc(Cc2cc3c(cc2-c2ccc(S(C)(=O)=O)cc2)OCO3)c1 13530425 WJDHOVAOYOBGJM-UHFFFAOYSA-N 380.465 4.385 0 1 GIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc([C@@H](C)N(O)C(N)=O)cc1 13603963 OWDJRHPQKVJILQ-CQSZACIVSA-N 381.432 4.102 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1cccc([C@H](C)N3CCCC3)c1)C2 28334808 JJRNYZDOVACYLA-NYHFZMIOSA-N 381.472 4.047 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820817 OZHBCCBNHOZTLX-NPSARUHUSA-N 390.564 4.398 0 1 GIAF C[C@]12CC[C@H](OC(=O)CCC(=O)O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 33859997 ZXXJWQGLXHCSFH-VLDRPNAOSA-N 390.520 4.375 0 1 GIAF biogenic C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82136277 GZRSSUMSWDVPHR-AUUYWEPGSA-N 382.483 4.413 0 1 GIAF COc1ccc(/C=C2/C(C)=C(CC(=O)NCCN(C)C)c3cc(F)ccc32)cc1 84733913 XSOJJDMRHSNQPJ-BKUYFWCQSA-N 394.490 4.230 0 1 GIAF COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OCF)cc2C)c1=O 95557452 AYICDFKLBCUUCO-HNNXBMFYSA-N 395.862 4.160 0 1 GIAF Cc1ccc([C@@](CC[C@H](N)C(=O)O)(c2ccccc2)c2cccc(O)c2)cc1 95580987 IWSYHPMWULTFDC-LADGPHEKSA-N 375.468 4.227 0 1 GIAF Cn1cnc(-c2ccc([C@H]3C[C@@H]3C(N)=O)cc2)c1Sc1ccc(Cl)cc1 96270406 CNFNNGZQMWPCGR-SJORKVTESA-N 383.904 4.481 0 1 GIAF CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)N[C@H](C)c4ccccc4)c3)C(=O)[C@@H]2C1 101087478 SZXLBEAQLHMGMU-MAODMQOUSA-N 388.467 4.023 0 1 GIAF CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc3nc(-c4ccc(F)cc4)oc13)C2 101372618 KVRNIHXCXMCIQM-QZTJIDSGSA-N 393.462 4.379 0 1 GIAF Cc1cc(C)nc(N2C[C@H]3CCN(C(=O)c4ccccc4-c4ccccc4)C[C@@H]32)n1 169701370 MZDGWJKFCYEWNJ-OFNKIYASSA-N 398.510 4.111 0 1 GIAF Cc1cc(NC(=O)NCc2cccs2)ccc1N1CC[C@H](N2CCC[C@H]2C)C1 261083177 CCDWSMJPLNHEDZ-MJGOQNOKSA-N 398.576 4.441 0 1 GIAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586923170 ZOZKQZABVHIAPV-UHFFFAOYSA-N 390.464 4.255 0 1 GIAF COc1cc(/C=C/c2nc3cc4c(cc3[nH]2)OCCO4)ccc1Br 586976424 KEYXMTSWGDPGMD-HWKANZROSA-N 387.233 4.276 0 1 GIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587108987 KLGPMJMRDFHDGT-UHFFFAOYSA-N 378.306 4.108 0 1 GIAF FC(F)(F)c1cnc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 587117679 IAZVLZZGSILAIP-UHFFFAOYSA-N 375.276 4.118 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 587161352 QARKUFQRPDQDFQ-UHFFFAOYSA-N 377.213 4.237 0 1 GIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(F)c(Br)c2[nH]1 587174424 JFCIOCSDYOALJO-GFCCVEGCSA-N 391.219 4.327 0 1 GIAF COc1cncc(N)c1-c1nc2cc(Br)c(OCC(C)C)cc2[nH]1 587253041 YVHQHDOTEVVAPD-UHFFFAOYSA-N 391.269 4.013 0 1 GIAF Cn1cc(Cl)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587332027 QNMMBDUYOXSZAG-XLIONFOSSA-N 386.810 4.193 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CC[C@@H]3C[C@@H]2CCC3=O)[C@@H]1c1ccc(F)cc1 587348542 DGCBDXYTRHNRML-NKHCLAMKSA-N 380.415 4.408 0 1 GIAF COc1cc2c3c(c1)O[C@](CCN(C)C)(c1cccc4ccccc14)[C@@H](C2)C3=O 587430590 VXWNVYBIDRBTDL-SQJMNOBHSA-N 387.479 4.443 0 1 GIAF CCCc1c(O)ccc2c1O[C@](Cc1csc(=N)[nH]1)(c1ccccc1)CC2=O 587492925 DDXXJXOBNQJENV-QFIPXVFZSA-N 394.496 4.317 0 1 GIAF CN(C)/C=C/c1nc(O)ccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511261 JPIBAYIZLJYUJA-OTOIZHKDSA-N 378.472 4.079 0 1 GIAF C[C@]1(c2cc(F)c(O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559645 YJUBZNPNYKFUCW-LAUBAEHRSA-N 384.334 4.253 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCNc1c(F)cccc12 587566683 ACVPRRHMAQKQSI-PGRDOPGGSA-N 377.371 4.204 0 1 GIAF C[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]2CCCC[C@H]2N1 587590807 AVXISJAYPRLPQV-BLDBDCFTSA-N 379.456 4.033 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)OCCCO2 587610556 PTKXOEGIANLDHU-OFNKIYASSA-N 390.391 4.256 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2nsnc2c1 587620348 YHWSUBQNAQWANS-XLIONFOSSA-N 376.393 4.100 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)c[nH]c3nccc2-3)N1 587732520 MPYAJHMZSWOZDE-ZKANADHPSA-N 378.220 4.179 0 1 GIAF CCCOc1ncccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587772027 MXJOJVKXGGJFQY-GTNSWQLSSA-N 379.273 4.396 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H]1CC[C@@]2(C)C1(C)C 587828809 PYMZQHKMOZORJX-DBCMIRFJSA-N 380.301 4.343 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587837047 YZCRKWUCANLLHN-WLRWDXFRSA-N 392.268 4.157 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnc(C)nc1 587858327 FCOQPUDZBWKVPP-UHFFFAOYSA-N 377.231 4.043 0 1 GIAF COc1cccc(CC[C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1 962673011 UYLXDUOEIDYVMI-URXFXBBRSA-N 390.483 4.016 0 1 GIAF CSc1ccc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1 962708893 LBNFBNXYQSDLJF-SJLPKXTDSA-N 399.409 4.429 0 1 GIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](CCc2ccc(O)cc2)N1 963187421 UNLUNYHTQJBWTP-SJORKVTESA-N 399.796 4.337 0 1 GIAF CCCN(C)C(=O)Cc1c(-c2ccc(CCCF)cc2)nn2c(C)cc(C)nc12 1772638887 FJHVOGREXFWSNE-UHFFFAOYSA-N 396.510 4.326 0 1 GIAF CC(=CCc1c(O)cc(C)c(C=O)c1O)[C@H](O)C[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C 2356710382 BQAWIDAQBDWCGH-WDQPAMAPSA-N 388.504 4.100 0 1 GIAF COC(=O)c1ccc(C2=NO[C@](C)(c3nnc(-c4cccc(Cl)c4)o3)C2)cc1 12477172 MCALRQLKEFGBIF-FQEVSTJZSA-N 397.818 4.216 0 3 GIAF O=C(c1cccs1)N1CC[C@H]2[C@H](CCCN2Cc2cc(F)cc(F)c2)C1 199408047 OQORBVJICVTYQY-QAPCUYQASA-N 376.472 4.153 0 3 GIAF CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N(C)C 771599 MPAFMGNVEJGQLU-UNMCSNQZSA-N 380.488 4.389 0 1 GIAF O=c1[nH]c2ccc(N3CCC[C@@H]4CCCC[C@@H]43)nc2nc1Cc1ccc(F)cc1 2500083 FFGLDZZKSJXRRT-JXFKEZNVSA-N 392.478 4.207 0 1 GIAF CN(C[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCC2=O)C1CCCC1 13738805 JKBDFLKCEUJIHY-NRFANRHFSA-N 382.548 4.004 0 1 GIAF CC1(C)CC(=O)[C@@H]2C(=Nc3cc4c(cc3[C@@H]2c2ccc3c(c2)OCO3)OCO4)C1 18084955 MJCORWPEGJFHQI-VXKWHMMOSA-N 391.423 4.367 0 1 GIAF COC(=O)C[C@@H](c1cccnc1)[C@@H](C(=O)N(C(C)C)C(C)C)c1ccccc1 34986385 DRWJYPNKGJSIRQ-UNMCSNQZSA-N 382.504 4.158 0 1 GIAF CCN(Cc1ccncc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 38149641 OLIMPPLJAGRECO-UHFFFAOYSA-N 378.316 4.420 0 1 GIAF CC(C)N1C(=O)C(c2ccccc2)(c2ccccc2)[C@]12C(=O)N(C)c1ccccc12 40935318 BXCXTAICHCCILD-SANMLTNESA-N 396.490 4.095 0 1 GIAF CCN(CC)C(=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 45284363 HHNJPQMMYMBENC-ZOGIJGBBSA-N 386.580 4.110 0 1 GIAF NC(=O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2F)cc1 49036141 CJGYRCCRCWSGRT-VMPITWQZSA-N 399.418 4.067 0 1 GIAF CC(C)Oc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl 71341151 GCEKSFBEJOHPNS-UHFFFAOYSA-N 378.263 4.368 0 1 GIAF COc1cc2ncnc(Nc3ccc(NC(=O)OC(C)C)cc3)c2cc1OC 84634576 LUKCMJKDYJFFPZ-UHFFFAOYSA-N 382.420 4.348 0 1 GIAF CN(C)C(=O)c1ncn2c1CN=C(c1ccc(Cl)cc1)c1cc(Cl)ccc1-2 95557023 FYBXFXROYOWPGW-UHFFFAOYSA-N 399.281 4.232 0 1 GIAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2c(C)noc21 95593517 BBFSXGGHVLOEMF-UHFFFAOYSA-N 397.519 4.187 0 1 GIAF Cc1nc(C(C)C)c(-c2ccc([C@H]3CC[C@H](CC(=O)O)CC3)cc2)nc1C(N)=O 101581745 LSJYIHZUMHUKEH-IYBDPMFKSA-N 395.503 4.423 0 1 GIAF C[C@H](C1CCCCC1)N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O 101678206 YDLHMUFCKVDRIE-CQSZACIVSA-N 376.884 4.032 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@@H]32)C1 118925740 AGKUVCXEPCJNMJ-QTLDOONUSA-N 376.537 4.138 0 1 GIAF C[C@H]1c2cc(OCc3nnn[nH]3)c(Cl)c(Cl)c2C(=O)[C@H]1C1CCCC1 169345805 WNANQMQYBCXCMU-ISVAXAHUSA-N 381.263 4.192 0 1 GIAF COc1cccc(Nc2nccc([C@H]3C(c4ccccc4)=NN4C=CC=C[C@H]34)n2)c1 169720373 TUPCJYGCAPLRDO-FGZHOGPDSA-N 395.466 4.484 0 1 GIAF OC[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 261127966 KOJVYWWELKBPMH-AIUZKBQUSA-N 376.422 4.264 0 1 GIAF CCCCCCOc1ccc(Br)cc1-c1nc2c(N)ncnc2[nH]1 586982153 SFKTVXJVAWJTMA-UHFFFAOYSA-N 390.285 4.324 0 1 GIAF O=C1COc2cc3[nH]c(-c4cc(Cl)c(Br)cc4F)nc3cc2N1 587137932 SQAYDHAGRXKLQG-UHFFFAOYSA-N 396.603 4.116 0 1 GIAF COc1cc2c3c(c1)O[C@@H](C1(c4ccccc4Cl)CCOCC1)[C@@H](C2)C3=O 587418037 GPSPWMVWYXSFLV-YCRPNKLZSA-N 384.859 4.213 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1cccc(OC)c1)CC2=O 587481902 IWRZLUZEIUCFLN-FQEVSTJZSA-N 378.428 4.450 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCO)(c2ccc(F)cc2)N1 587733007 PKQGTRIHMOIKLS-HXPMCKFVSA-N 396.275 4.278 0 1 GIAF CC/C=C/CCOC(=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792425 LDKDBGRAMHWISC-FCIRNVEESA-N 384.289 4.237 0 1 GIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O 587808837 QWFGTMRUURKZKR-YPMLDQLKSA-N 380.257 4.100 0 1 GIAF CC(C)(C)Oc1ccc(O)n1-c1cc(Br)cnc1Br 587939610 GZDAGZBWJBOPHG-UHFFFAOYSA-N 390.075 4.280 0 1 GIAF Oc1cc(-c2ccc(F)cc2)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 587946450 UHMAIXDWEDBTKU-UHFFFAOYSA-N 379.366 4.215 0 1 GIAF O=C(O)c1cccc2c1CCN[C@]21C[C@H](c2ccccc2)Oc2ccc(O)cc21 963119480 FIBWAPRMBFFLDM-ISKFKSNPSA-N 387.435 4.004 0 1 GIAF c1ccc(-c2c[nH]c(=NCCCCCN=c3[nH]cc(-c4ccccc4)[nH]3)[nH]2)cc1 1857755792 VRAYRKYHPIWUKX-UHFFFAOYSA-N 386.503 4.005 0 1 GIAF O=C1CC[C@]2(CCCN(C(=O)Nc3ccc(F)c(Cl)c3)C2)CN1CC1CC1 1911572689 GGJOBXUCBJXUBY-FQEVSTJZSA-N 393.890 4.126 0 1 GIAF CC[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1ccc(C)cc1Br 2356298548 KIIBPNLBELDIBA-KKUMJFAQSA-N 396.398 4.164 0 1 GIAF C[C@H](O)[C@H](O)[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356562123 OITVHTCHWCAWMR-JXALWOEJSA-N 376.496 4.373 0 1 GIAF COc1ccc([C@H]2C[C@@](O)(c3ccccc3)Oc3cc(OC)cc(OC)c32)cc1 13661769 JBJMFUTWUSFFQF-YKSBVNFPSA-N 392.451 4.472 0 3 GIAF Cc1cccc(C)c1NC(=O)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205209139 QUZZGNJIVCVDLM-BBRMVZONSA-N 387.842 4.363 0 3 GIAF CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl 4211862 PXDRRCXMPKPSJV-RDJZCZTQSA-N 381.234 4.313 0 1 GIAF CCCc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1 13588362 IEOUCXLUAHBHLA-UHFFFAOYSA-N 391.443 4.228 0 1 GIAF O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)N(Cc2ccccc2)c2ccccc21 29133481 YEQKJKZQLXZDFA-JOCHJYFZSA-N 395.462 4.056 0 1 GIAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@](C)(O)[C@H]2COc1ccc2ccc(=O)oc2c1 43735733 KWFSFXRPFGONDD-WJNSRDFLSA-N 398.499 4.344 0 1 GIAF Cc1cccc(-c2nc(NCC3CC3)ncc2C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 82145974 XWBPLRSAFZLYAP-IAGOWNOFSA-N 378.520 4.392 0 1 GIAF CC(C)CNc1ncnc2c1nc(C1CCCCC1)n2CC[C@H]1CCCN1C 82177994 SJDMTTQCCKKGBE-GOSISDBHSA-N 384.572 4.426 0 1 GIAF Cc1cccc2cc([C@H](C)Nc3ncnc4n[nH]c(Cl)c34)n(C3CC3)c(=O)c12 88345880 GWRXJSIAEKYOIY-NSHDSACASA-N 394.866 4.138 0 1 GIAF COc1ccc2c(c1)CCc1c(C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)noc1-2 100549734 ACSOCEKWTHPJOF-NPMXOYFQSA-N 380.488 4.490 0 1 GIAF COc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)c(OC)c1 103996444 WCFMLLQNPQMYII-FQEVSTJZSA-N 385.460 4.464 0 1 GIAF O=C1/C(=C(\NC2CCCCC2)c2cc3cccnc3[nH]2)N=CN1C1CCCCC1 148838949 UJENKPOSIJHQHY-QZQOTICOSA-N 391.519 4.357 0 1 GIAF O=C(O)Cc1cnc(Nc2n[nH]c3ccc(-c4ncccc4Cl)cc23)s1 165900154 WEPHZUOLCWCEHY-UHFFFAOYSA-N 385.836 4.106 0 1 GIAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2ccc(OC)cc2)s1 169347065 VWOMMCGIMIJHDR-GEKYMRBXSA-N 395.524 4.463 0 1 GIAF CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(Cl)cc2)ncc1F 221308503 LNVFCDVCZRYIIH-XHDPSFHLSA-N 378.835 4.423 0 1 GIAF O=C(O)c1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1 225603211 UXYUJFCRMDVTQV-JLHYYAGUSA-N 386.382 4.393 0 1 GIAF O=C(O)C[C@H](NC(=O)c1cnc(O)c(Cl)c1)c1ccc(-c2ccccc2)cc1 261193260 ZYKGDOZRIGGZTL-SFHVURJKSA-N 396.830 4.053 0 1 GIAF Fc1ccccc1-c1cccc(CNc2cnccc2OC2CCNCC2)n1 299826415 ZWJAIKDUVQVDKA-UHFFFAOYSA-N 378.451 4.026 0 1 GIAF CCCOC(=O)c1ccccc1NC(=O)c1ccc(OC(=O)C(C)(C)C)cc1 299856578 JYSYYDMPWQQABN-UHFFFAOYSA-N 383.444 4.457 0 1 GIAF COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(OC)c(OC)c2)cc1 473093454 UEWLVQVVVZIFCS-UHFFFAOYSA-N 399.468 4.180 0 1 GIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 586962234 WAVROYHZZJKBML-KPOBHBOGSA-N 399.491 4.397 0 1 GIAF N=c1[nH]c2nc(CCN3c4ccccc4Sc4ccccc43)nc-2c(Cl)[nH]1 587039368 DPDROFGVYQEHCC-UHFFFAOYSA-N 394.891 4.216 0 1 GIAF CCOc1n[nH]c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1Cl 587065418 PRPNTNDHXSRDQE-UHFFFAOYSA-N 377.576 4.046 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3OC)nc2c1 587066261 LNWVCSMJLAZWIY-UHFFFAOYSA-N 395.640 4.441 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OCC)[C@@H]1Oc1ccccc1 587480022 MWRGEWBFWIEZSZ-ACIOBRDBSA-N 382.456 4.305 0 1 GIAF CC(C)Oc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589620 WCFKFQRQQYPLJO-WIYYLYMNSA-N 377.396 4.277 0 1 GIAF CCOC(=O)C[C@@]1(CCC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593456 DMFBQYKVDRFLBY-NZQKXSOJSA-N 398.455 4.482 0 1 GIAF CC[C@@]1(c2ccc(C(=O)O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607457 IOUSDLKEOWYNAX-XXBNENTESA-N 390.391 4.358 0 1 GIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1S 587610215 BIGWWRSCQZRWQD-RXVVDRJESA-N 380.421 4.392 0 1 GIAF Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cs1 587659003 XWIHQFJLDXINBE-UHFFFAOYSA-N 382.391 4.400 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(c3ccc(F)cc3)C2)N1 587728173 FDUUHDCJBWAAMZ-BLVKFPJESA-N 393.275 4.367 0 1 GIAF COC(=O)c1ccc(COc2ccccc2[C@H]2NCCc3ccc(F)c(C)c32)o1 962144390 KJWDBAPXXHQYHX-JOCHJYFZSA-N 395.430 4.328 0 1 GIAF COc1ccc2c(c1OC)[C@@H](c1c(C)nn(CC(C)C)c1Cl)N(C)[C@H](C)C2 962623834 KYQZNBORKRSBMT-BFUOFWGJSA-N 391.943 4.484 0 1 GIAF COc1cccc(-c2ncc([C@H]3c4c(F)cccc4C[C@@H]4CCCN43)cn2)c1 963098061 FXAWTKDHZAWMNJ-AVRDEDQJSA-N 375.447 4.401 0 1 GIAF Cc1noc(C)c1CSCC(=O)N1CCN(c2cccc3ccccc23)CC1 1857612459 MHPBBKBKEOPYOD-UHFFFAOYSA-N 395.528 4.027 0 1 GIAF CO[C@]1(C)CCC[C@@]2(C)[C@@H]1C[C@@H](C1=CC[C@@H](C(C)(C)O)OC1)C[C@H]2CN(C)C 2356510648 GRJRDZBKHTWUTA-MAMHMVEESA-N 393.612 4.272 0 1 GIAF CC(=O)OCC=C(C)CC[C@@H](O)[C@@]1(C)CCC=C(CCC=C(C)C)C(=O)O1 2356606193 HEHIVTKZZNEECQ-IFMALSPDSA-N 378.509 4.405 0 1 GIAF CC1(C)CCC[C@]2(C)[C@@H]3C(=C[C@H](OC(=O)C=Cc4ccccc4)[C@H]12)CO[C@@H]3O 2356623674 JVIVBUUWKBUORJ-MMIGAADJSA-N 382.500 4.349 0 1 GIAF Cc1nc(C=C[C@@H]2CC=CCCC[C@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O2)cs1 2356336843 OAXHQZGPHDPLOS-QXGSTGNESA-N 391.533 4.099 0 1 GIAF O=C(Nc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 4894516 RRFMQRSLXDVIBU-QXUMQBBKSA-N 394.858 4.128 0 1 GIAF O=C(NCc1cccs1)c1ccc(C[S@@](=O)Cc2ccccc2Cl)o1 6895857 YMPQWNSUTWRKHO-RUZDIDTESA-N 393.917 4.373 0 3 GIAF O=S(=O)(N[C@@H]1Cc2ccc(-c3cc4ccccc4[nH]3)cc2C1)c1ccccc1 28949476 JGPPKFSZHLHEKV-HXUWFJFHSA-N 388.492 4.281 0 1 GIAF COc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)/C=C/c2ccccc2)C3)cc1 101640777 OVEFVKDQJZTAFY-SPARBRMESA-N 390.527 4.410 0 1 GIAF Cc1cc(-n2ccc(=O)[nH]c2=O)cc(Cl)c1Sc1ccc(Cl)cc1 26015352 QZCMOXGIPXQZBP-UHFFFAOYSA-N 379.268 4.292 0 1 GIAF CN(CC[C@H]1CN(C(=O)C2CCCCC2)CC[C@@H]1CC(=O)O)c1ccccc1 2356832793 IDJQPXGWCZFISJ-UXHICEINSA-N 386.536 4.033 0 1 GIAF CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCC3CC3)ncnc21 82180082 XTVZFIWTCVAJJI-CQSZACIVSA-N 393.491 4.148 0 1 GIAF O=c1cc(NCCCNCc2ccc(C(F)(F)F)cc2F)[nH]c2ccccc12 45188334 KXYMWIFIGUQASY-UHFFFAOYSA-N 393.384 4.278 0 1 GIAF CC(C)CN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccccc1F 82217125 SFDQPVNZBSHXDG-UHFFFAOYSA-N 384.499 4.247 0 1 GIAF COc1ccc(N2C/C(=C/c3ccc(O)c(Br)c3)OC2=O)cc1 82157961 UWJJWSYQUWXRDZ-ZSOIEALJSA-N 376.206 4.161 0 1 GIAF CC[C@@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc(C)c1 82146405 QNMMJDYOVUPWIY-FGTMMUONSA-N 380.536 4.463 0 1 GIAF CC(=O)Nc1cccc(-c2nc3ccccc3n2[C@H](C)C(=O)NC(C)(C)C)c1 199229876 SZXKHBJCQRGXKS-CQSZACIVSA-N 378.476 4.137 0 3 GIAF CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N(C)CCc1ccccc1 95568551 WJPANQCMXQOHBX-JOCHJYFZSA-N 389.503 4.483 0 3 GIAF COc1cc(Sc2c(C3=NCCO3)[nH]c3ccccc23)cc(OC)c1OC 95594019 HWGORMPXWKHJBA-UHFFFAOYSA-N 384.457 4.122 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCC13CN(C(=O)OC(C)(C)C)C3)CC2=O 587475934 QZBGDSHGMOVJJP-QFIPXVFZSA-N 387.476 4.080 0 1 GIAF COc1ccc(C=O)c2cc(-c3nc4ncc(Br)c(C)c4[nH]3)oc12 586903742 MCAPSFOLUAVUGW-UHFFFAOYSA-N 386.205 4.263 0 1 GIAF COc1c(F)cc(F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587722953 UTYFZDSEVXZQHS-PWJLMRLQSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(C(=O)O)c2)N1 587728013 CMMXYNIJICZPDO-ZKANADHPSA-N 382.204 4.049 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(O)ccc3C2)N1 587834912 UKPIPCIBWXTJII-NSPYISDASA-N 376.269 4.212 0 1 GIAF Nc1ccnc2[nH]c(Cc3csc(-c4ccc(Br)s4)n3)nc12 587018872 ASMVJKRPNHUINO-UHFFFAOYSA-N 392.307 4.078 0 1 GIAF C[C@H](O)[C@]1(C2(C)CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611265 RUHNPQZUHAMCPN-FOMLIJIXSA-N 382.456 4.444 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(N2CCCC2)s1 587615059 VGDOBLSWNGWNOE-YLJYHZDGSA-N 394.452 4.152 0 1 GIAF Cc1cc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3nnnn3c2cc1C 587523848 HTQABHKBHPHQRA-JOCHJYFZSA-N 398.466 4.480 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1csc(N(C(C)=O)C3CC3)n1)CC2=O 587498251 ZPESWTUESJGLDP-SFHVURJKSA-N 386.473 4.023 0 1 GIAF C=C1Nn2c(nc(C(C)C)c2[C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)S1 587497941 DSZUFGPOANKLQC-INIZCTEOSA-N 385.489 4.492 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)cc1S(C)(=O)=O)CC2=O 587488058 PAXWBLKGEYGBNK-QGZVFWFLSA-N 394.876 4.108 0 1 GIAF CC(C)(C)c1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587204518 ZIOQPVWKMBKVOX-SFHVURJKSA-N 395.459 4.303 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1sc(N4CCCCC4)nc1Cl)[C@@H](C2)C3=O 587453182 VNGZBKPXGOCWLG-LRDDRELGSA-N 390.892 4.284 0 1 GIAF COc1cncc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc12 586980689 DPEPVMKGSNAUOW-UHFFFAOYSA-N 383.249 4.495 0 1 GIAF O=C(c1ccc(OCc2ccccc2)cc1)n1ncc2ccc(Cl)cc2c1=O 587651828 FMMCGHRGYQIESC-UHFFFAOYSA-N 390.826 4.317 0 1 GIAF CCOC(=O)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587133639 XESONOBGGXZYIJ-UHFFFAOYSA-N 381.190 4.417 0 1 GIAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)CNCC4)nc3ccc(O)c1c23 586989347 FTJLZULOLJWUHQ-UHFFFAOYSA-N 378.431 4.465 0 1 GIAF CCOC(=O)[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@H]1C 586990442 XRANFISWLYDFCK-IUODEOHRSA-N 387.435 4.066 0 1 GIAF Fc1cnc(Cl)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 586997982 FQFYQHNEIFCDKK-UPHRSURJSA-N 396.603 4.412 0 1 GIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(C)cc(Br)c3[nH]2)cc1 587937201 OIHOPJAULGEMTO-APPDUMDISA-N 375.266 4.480 0 1 GIAF COc1cc2c3c(c1)O[C@](Cc1ncc[nH]1)(c1ccc(Cl)cc1F)[C@@H](C2)C3=O 587428224 YBTLXPWYGFKBNC-YCRPNKLZSA-N 398.821 4.096 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CN(C)C)c2)N1 587740372 JQLZKAUSKWYEJO-HXPMCKFVSA-N 377.301 4.273 0 1 GIAF CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@@]21NCCc2c(C(=O)O)cccc21 963130588 KNYCYRUTOVVWTD-HSZRJFAPSA-N 394.471 4.067 0 1 GIAF CCc1cnc([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)s1 963178205 JCPNNQSMKVJUHK-QWHCGFSZSA-N 390.814 4.066 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2ccc(SC(F)F)cc2)N1 963239094 ZTRMODRDFROHHD-ROUUACIJSA-N 386.423 4.238 0 1 GIAF COCOc1ccccc1[C@@]1(C)NC2(CC2)Cc2ccc(Br)cc21 961329068 WULNYLSVUBCLHI-LJQANCHMSA-N 388.305 4.374 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C[C@H](OC(C)(C)C)[C@H]2n2cccn2)N1 962940283 ADBQSHJNNNOPDM-FDRNHLPGSA-N 378.520 4.313 0 1 GIAF C[C@H]1CCCN(CCCOc2cccc([C@H]3NCCc4ccc(O)cc43)c2)C1 963329400 NTSLVKLXHJJTDD-MHECFPHRSA-N 380.532 4.128 0 1 GIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1cncc(F)c1 961747142 GPDGWEOBVUMBAG-HXUWFJFHSA-N 383.467 4.461 0 1 GIAF C[C@@H](CC(N)=O)N[C@@H](c1ccc(Cl)c(C(=O)c2ccccc2)c1F)C1CC1 1772603301 GCNYWVUXJGSFBX-FKIZINRSSA-N 388.870 4.015 0 1 GIAF OC[C@@H](NCc1nc2cccc(OCC3CCCCC3)c2[nH]1)c1ccccc1 1857589062 HUNCTOSXTYHEHJ-HXUWFJFHSA-N 379.504 4.345 0 1 GIAF CCCOc1cccc(-c2cc(COc3ccc(F)c(C(N)=O)c3F)on2)c1 1857655612 RRRDOFODGQJHLF-UHFFFAOYSA-N 388.370 4.087 0 1 GIAF O=C(Nc1nc(-c2cccc(F)c2)cs1)C1(c2ccc3c(c2)OCO3)CC1 1857749995 IKGLJULLKGPJAD-UHFFFAOYSA-N 382.416 4.348 0 1 GIAF CCOc1ccc(CNC(=O)c2cc3c(=O)[nH]c4ccccc4c3s2)cc1 4929551 SHYPHBBLBJVINH-UHFFFAOYSA-N 378.453 4.072 0 1 GIAF COc1cc2c(cc1OC)[C@H]1N(CC2)Cc2c(ccc(OC)c2OC)C1(C)C 5765909 SONXPAJNVIQKDH-JOCHJYFZSA-N 383.488 4.112 0 1 GIAF biogenic CN1C(=O)[C@H](Cc2ccccc2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 26996553 CRLCIILQTBBPIC-FQEVSTJZSA-N 390.870 4.471 0 1 GIAF CCOc1cc2c(cc1O)[C@@H](NC(C)=O)CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 38159540 YRMUBJUOYFERGW-BOWCYYMKSA-N 387.520 4.033 0 1 GIAF O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1OCCCCOc1ccccc1 38446957 RVLUXUBUNBILRZ-ZHACJKMWSA-N 392.455 4.267 0 1 GIAF C[C@@H]1CCc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1ccc(Br)cc12 49037513 UUKQKTKLSBUXEX-GIPWTMENSA-N 396.288 4.050 0 1 GIAF COc1cc2c(cc1OC)C(=O)N1C=C(/C=C/c3ccc(F)cc3)C[C@H]1C=N2 49803314 WHPKRASYBWVLPQ-IDOMTICXSA-N 378.403 4.371 0 1 GIAF COc1cc2ncnc(N(C)c3ccc(Br)cc3F)c2cc1OC 64453658 YVODAKUVXGJFGV-UHFFFAOYSA-N 392.228 4.317 0 1 GIAF CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2)c(-c2ccccc2F)n1 82152864 SXMFAASQALSHPW-HNNXBMFYSA-N 378.451 4.423 0 1 GIAF COc1cc(CNc2cc(-c3cccc(C)c3C)ncn2)cc(OC)c1OC 82162076 HGHWGEPGOOPPOK-UHFFFAOYSA-N 379.460 4.398 0 1 GIAF CO[C@@H]1[C@@H](C)C=C[C@H]1Cc1ccc(C[C@H]2C=C(C)[C@@H](O)C[C@@H]2C(C)(C)O)cc1 85510767 MQWKANHJNPOKSF-ZETYHGMJSA-N 384.560 4.323 0 1 GIAF biogenic,in-vitro CCC(=O)c1c(O)c2ccc(-c3ccncc3)cc2n(-c2ccc(F)cc2)c1=O 100018815 GIBNEVCVVUFLFL-UHFFFAOYSA-N 388.398 4.490 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CN=C4C=C(O)[C@@H]5C[C@@H]5[C@]4(C)[C@@H]3CC[C@]12C 169323157 LNBRDPIYZGBLLR-DBSDZKAYSA-N 384.564 4.466 0 1 GIAF COc1ccc([C@@H]2C[C@@]3(N(C)C)CCN[C@H]2[C@@H](c2ccc(OC)cc2)C3)cc1 253664909 HXGYTLATAQPYNJ-NVPYSNMXSA-N 380.532 4.027 0 1 GIAF O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CC1)c1ccon1 261138202 MNARXDIEJURKNW-PUZFROQSSA-N 389.455 4.269 0 1 GIAF O=C(NCc1ccsc1)N1CCCC[C@H]1c1nc(Cc2ccccc2)no1 299824662 IHQLJRIKXLGQKY-KRWDZBQOSA-N 382.489 4.159 0 1 GIAF COc1cncc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586958608 GVPCQJDSVONJNZ-MHZLTWQESA-N 377.469 4.005 0 1 GIAF Cc1cnc(Cl)c2[nH]c(C[C@@H](N)c3ccc(Br)cc3F)nc12 587142740 MTUVCQVDODRVJA-LLVKDONJSA-N 383.652 4.064 0 1 GIAF Fc1cc(Br)c2nc(-c3ccc(F)c(Br)n3)[nH]c2c1 587155866 UMXPVLFHTJKLSL-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3 587190854 PHRDDALNLAUINB-SFHVURJKSA-N 381.432 4.248 0 1 GIAF CCOC(=O)CNc1ccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1 587227240 JVDBARDBRVOELW-UHFFFAOYSA-N 381.329 4.363 0 1 GIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCc2cccnc2)c1 587394866 KVCWNJDSAIFJHW-JOCHJYFZSA-N 390.439 4.266 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(F)ccc(C4OCCO4)c1Cl)[C@@H](C2)C3=O 587421815 ARLDCBMETZBVDT-BUXKBTBVSA-N 390.794 4.022 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](C2)C3=O 587432067 JXTQEHKQKHQJCO-UWJYYQICSA-N 395.455 4.209 0 1 GIAF COc1cc2c3c(c1)O[C@@]1([C@H](c4ccccc4)CCC[C@@H]1CC(=O)O)[C@@H](C2)C3=O 587448265 BWAGLQYBXVNRQH-HCWCBTOOSA-N 392.451 4.240 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(NC(C)=O)cc1OC)CC2=O 587472215 ZGOPOHHAXVNTCK-JOCHJYFZSA-N 383.444 4.192 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCCN(C(=O)OC(C)(C)C)CC1)CC2=O 587478025 ZHIUTMLGAXGHQY-QFIPXVFZSA-N 389.492 4.470 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncccc1Br 587537715 AVJHOVZNKICYND-BEFAXECRSA-N 398.212 4.253 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccn1 587538415 DTJMKCIGAZPIAT-VQIMIIECSA-N 398.212 4.253 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)nnc1Cl 587551875 KTHPVDCSOZQRHR-WMLDXEAASA-N 389.194 4.192 0 1 GIAF CCN[C@H](C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574234 WGJJFOLTKVPJCB-FBJLLXQBSA-N 389.451 4.247 0 1 GIAF COC(=O)C(=O)c1c(-c2ccc(OC)cc2F)[nH]c2ccc(F)c(Cl)c12 587629421 PINWLECAZQVPAC-UHFFFAOYSA-N 379.746 4.131 0 1 GIAF Cc1cc(OCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc(C)c1Cl 587651017 KUJKQAZDPVQNRN-UHFFFAOYSA-N 377.227 4.039 0 1 GIAF O=C(c1cc(F)ccc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656370 YJRZYQKPORRRKN-UHFFFAOYSA-N 398.315 4.308 0 1 GIAF COc1ccnc(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587707188 UOJKJRRBVPCFCR-AYVTZFPOSA-N 385.664 4.269 0 1 GIAF COC(=O)[C@@H]1CCCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587809060 QALIRFLXTGGTBG-YNKQFZHNSA-N 384.289 4.071 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CCC(=O)[C@@]3(C)CC2)N1 587819876 WWIBUNIVRHWJRW-RIPJAXHCSA-N 378.285 4.407 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850379 YRJWWICBEVWMAJ-GLEZIHRCSA-N 384.270 4.060 0 1 GIAF Cc1ccc([C@@]2(c3ccco3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1C 963219079 CMXKWOAPNKFLGT-RCZVLFRGSA-N 398.462 4.335 0 1 GIAF O=C(NCCc1c[nH]c2ccccc12)c1ccccc1-n1cc2ccccc2n1 1772578531 WCJOTSQERGGPTI-UHFFFAOYSA-N 380.451 4.479 0 1 GIAF CC1=C(C(=O)O[C@H](C)C(F)(F)F)[C@H](c2ccco2)N2C(=N1)Nc1ccccc12 1857555422 WEBDASJNSDOZKP-BZNIZROVSA-N 391.349 4.390 0 1 GIAF COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)C[C@H](C)[C@@H](C)C2 2356519390 ZFLHWWNSAUWBLR-RYUDHWBXSA-N 384.428 4.199 0 1 GIAF O=C1CN(C(=O)c2ccccc2F)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2456446 GOGQDCIJVVABFA-OAQYLSRUSA-N 396.368 4.288 0 3 GIAF CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCC[C@@H](C)C1 4618579 CGJMHQXJKFOQGH-OXQOHEQNSA-N 378.524 4.188 0 3 GIAF Cc1ccc(SC[C@@H](CF)O[C@@H](C)n2cnc3c(Cl)nc(N)nc32)cc1 1855770 ISLNYJOKMLBOQG-NWDGAFQWSA-N 395.891 4.036 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)[C@H](O)CC[C@](C)(O)[C@H]2[C@H]1OC(=O)C=Cc1ccccc1 2356390688 HVLYGZJHRBJSCY-JKAQCFFJSA-N 386.532 4.206 0 1 GIAF CCc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4845807 AMSIGJMDGCFGHK-GQSCTRQFSA-N 388.467 4.037 0 1 GIAF OC[C@@H](O)c1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1 115759939 ZOMXULDFQVDHIF-HXUWFJFHSA-N 376.387 4.254 0 1 GIAF CC(C)Cc1sc(N)nc1-c1ccc([P@@](N)(=O)Oc2ccccc2)o1 66112030 JUGUJVNBINVEQD-XMMPIXPASA-N 377.406 4.040 0 1 GIAF O=C(O)C[C@H]1CCN(CC2CCCCC2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356661167 SDMLVKGQYLNAFP-SJORKVTESA-N 387.499 4.238 0 1 GIAF CC1(C)OC[C@H]([C@]2(C)C=C3[C@H](O)C[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@H]3CC2)O1 2356753127 VRLDAMQNTHAYBJ-GVAABCLMSA-N 378.553 4.049 0 1 GIAF CCCCC(=O)N(Cc1ccco1)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 2356863065 UPKALZKYVMZTMA-JOCHJYFZSA-N 397.519 4.384 0 1 GIAF O=C(O)C1=Cc2cc(Cl)cc(-c3ccc(C(=O)O)cc3)c2O[C@H]1C(F)(F)F 66066620 NFHVCPLGEDPFFM-OAHLLOKOSA-N 398.720 4.497 0 1 GIAF CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccccc3)cn1)C2 38149878 NKDFBHULJVFUTN-DEOSSOPVSA-N 399.538 4.440 0 1 GIAF COc1ccc(-c2nn(C)c3sc(C(=O)N4CCC(C)CC4)cc23)cc1OC 34858092 FIXMAVWHGLITQS-UHFFFAOYSA-N 399.516 4.191 0 1 GIAF O=C(N[C@H](CO)c1ccc(Cl)cc1Cl)[C@H]1CCCCc2ncsc21 220883333 VGQSTOOFAOPYQH-SWLSCSKDSA-N 385.316 4.110 0 1 GIAF Cc1csc(NC(=O)c2cc(Oc3cncnc3)cc(C(F)(F)F)c2)n1 96939170 IKDQCWFUKVYOBO-UHFFFAOYSA-N 380.351 4.305 0 1 GIAF OC[C@@H]1Nc2ccc(-c3cccc(F)c3)cc2[C@H]2[C@@H]1CCN2Cc1ccncc1 95878854 ZBWANAPTTFSGLR-FGCOXFRFSA-N 389.474 4.237 0 1 GIAF COc1cc(-c2c(C)noc2C)ccc1-c1nc2cnccn2c1NC(C)C 299825189 WYAGHSODSCYRRU-UHFFFAOYSA-N 377.448 4.497 0 1 GIAF O=[S@@](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)CC1CC1 586959319 MWVGGOCPEVDRAS-OAQYLSRUSA-N 381.217 4.003 0 1 GIAF CSc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587614158 QYHVIWHREICQGN-UTKZUKDTSA-N 394.452 4.090 0 1 GIAF CC(C)S(=O)(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587533403 STCNBJJXCMQNBQ-OAQYLSRUSA-N 384.497 4.454 0 1 GIAF Cc1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1C 586943322 QZQATAPIJDQBDQ-UHFFFAOYSA-N 398.315 4.008 0 1 GIAF Cc1nc2[nH]c(C3(c4ccccc4)CCC(=O)CC3)nc2cc1Br 587970896 OEHPWCFJRUCNMI-UHFFFAOYSA-N 384.277 4.458 0 1 GIAF Cc1cccc2c1NCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587791093 FGDKOHRQGXXRQV-HXPMCKFVSA-N 375.285 4.490 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(Br)cc1F)[C@@H](C2)C3=O 587424616 QDTHAMMSDWBZFN-SGTLLEGYSA-N 377.209 4.394 0 1 GIAF CCC[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800760 YYSLEUSDBUGBQF-AEDCBLDQSA-N 386.305 4.317 0 1 GIAF Cc1c(C(F)(F)F)n[nH]c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552990 CTOLXVGRXCPSNY-SUMWQHHRSA-N 390.317 4.145 0 1 GIAF COc1nccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027865 TUOLUCBIEPZLRW-XIRDDKMYSA-N 396.516 4.103 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)cnc1Cl)O2 587370091 BNYQHOXHQBAOGV-MRXNPFEDSA-N 381.657 4.269 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)c[nH]c3nccc2-3)N1 587729916 IFHHYGXBUWFRIN-LZVRBXCZSA-N 392.247 4.353 0 1 GIAF O=C(O)CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609880 DYKKQFVWTJJLCL-RXVVDRJESA-N 396.420 4.176 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2ccccn2)N1 587769372 FXPDWRFSCXELFZ-XCLFUZPHSA-N 398.279 4.204 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3nnco3)cc2)N1 587795377 OHYQOOLRAXGWMN-QGHHPUGFSA-N 388.240 4.262 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2n[nH]c3ccc(F)cc23)N1 587729932 IIPZBDLTKNDEIO-CQLKUDPESA-N 378.220 4.227 0 1 GIAF COC(=O)c1cc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc2cn1 586879487 JJWZIXSOLPJJJL-UHFFFAOYSA-N 387.395 4.085 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(C)c(F)c1)CC2=O 587465377 CSTKMJQHMUQIDP-QFIPXVFZSA-N 386.419 4.216 0 1 GIAF Cc1c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C(C)C 587763780 MKADGMRDDXLHCG-ADLMAVQZSA-N 380.305 4.472 0 1 GIAF CC[C@]1(c2ccc(C(=O)O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587825721 IEMXVOYBSPYTQS-NSPYISDASA-N 392.268 4.474 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cnn2CCF)N1 587716820 JZOZHEMBOYULOV-XLKFXECMSA-N 390.659 4.031 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)nc2)N1 587713337 COJXEVFJAHGFKC-AYVTZFPOSA-N 387.199 4.208 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccccc3OC2)N1 587835867 RBYQJKYIDQZJSX-BLVKFPJESA-N 376.269 4.343 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccco1)(c1cc3ccccc3nc1C=O)O2 587394593 IITCJDDVAQKNTC-DEOSSOPVSA-N 398.418 4.440 0 1 GIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc(F)cc(F)c2)N1 963201226 YFWCGZBCRMEFBE-IUODEOHRSA-N 391.723 4.325 0 1 GIAF Cc1ccnc2c1CCN[C@@]2(c1ccccc1F)c1ccccc1CN1CCC1 963075053 ZKJSIJOJZYXRTH-RUZDIDTESA-N 387.502 4.172 0 1 GIAF Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)CCc2ccncc2)cc1 11821374 IRBCCGZFSSXNPN-OAQYLSRUSA-N 388.515 4.338 0 3 GIAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](C)/C(F)=C/CCCc1ccccc1 13448017 GCMXFAGNVBGNHO-KHZBITHBSA-N 398.522 4.260 0 1 GIAF CN(C)CCc1c[nH]c2ccc(CCCc3nc(Cc4ccccc4)no3)cc12 13827491 AGJHDCCFMOEMSS-UHFFFAOYSA-N 388.515 4.421 0 1 GIAF CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 169094584 LOMLSZYPQUWCNO-PUZFROQSSA-N 399.579 4.021 0 1 GIAF CCOC(=O)[C@H]1C(COc2ccc(C)cc2)=NC(=O)N[C@@H]1c1cc(C)ccc1C 169689313 ALJSTBWIVVGXTC-LEWJYISDSA-N 394.471 4.075 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CN=C4[C@@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714191 ZTHAQUDQAORYRJ-ADOINBOHSA-N 386.580 4.373 0 1 GIAF Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccn3)cc2)c(C)c1 58590548 MJSKDSUPUPCFKH-UHFFFAOYSA-N 395.484 4.060 0 1 GIAF COc1ccccc1NC(=O)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2)cc1 100101713 KYKPUCMTCWBZQJ-FIDNPTQWSA-N 399.494 4.334 0 1 GIAF C[C@]1(O)CC(=O)O[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1 27432101 ZHHBFCYFYVLXKD-HTAPYJJXSA-N 394.496 4.292 0 1 GIAF O=C(COCc1ccncc1)N1CCC(F)(c2ccc(Cl)cc2Cl)CC1 64549630 RQSKSHYRVLDTTR-UHFFFAOYSA-N 397.277 4.392 0 1 GIAF Cc1ccc(C2=NN(c3nnc(S)n3-c3ccc(Cl)cc3)C(=O)CC2)cc1 66066225 OCNCALQZBGUYOK-UHFFFAOYSA-N 397.891 4.049 0 1 GIAF COc1ccc(CNC(=O)Nc2nc([C@H](N)CCc3ccccc3)cs2)cc1 61897658 PWISPUWCSQOVJU-GOSISDBHSA-N 396.516 4.106 0 3 GIAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 28124819 AOAZPUWLTLFVEI-GRUGVGOFSA-N 375.268 4.036 0 1 GIAF CC(=O)OCC=C(C)CC[C@]1(C)[C@H](C)C[C@H](O)[C@@]2(C)C(C(=O)O)=CCC[C@@H]21 2356580683 VESVIOLXNFMXSV-VTIGABEFSA-N 378.509 4.110 0 1 GIAF COc1c([C@@H](CC(C)C)OC)ccc(O)c1C(=O)c1c(O)cc(C)cc1C=O 2356844753 NYVCMUXSLXFBIQ-GOSISDBHSA-N 386.444 4.192 0 1 GIAF O[C@@H](COc1cccc(-c2ccc3cn[nH]c3c2)c1)CN1CCc2ccccc2C1 218388584 NZRSCPPEGJHBCC-HSZRJFAPSA-N 399.494 4.028 0 1 GIAF COc1ccc(C(=O)O[C@@H]2C[C@H](C(C)=O)[C@H]3C2=C(C)C(=O)C[C@@H]3C(C)C)cc1 14495897 GLUNGYLSKBAMGR-DBQGFPOUSA-N 384.472 4.007 0 1 GIAF biogenic CC[C@@H](C)Nc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2ccccc2)n1 82133543 XJSJIDNONJBAQV-MRXNPFEDSA-N 392.478 4.466 0 1 GIAF COC(=O)CC1=C(C)/C(=C/c2ccc(S(C)(=O)=O)cc2)c2ccc(F)cc21 43078762 QGNAIXQUNHFBQX-ZDLGFXPLSA-N 386.444 4.120 0 1 GIAF COCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2cccc(C)c2)n1 82146163 DZCLIXGCTZCQAL-ROUUACIJSA-N 396.535 4.019 0 1 GIAF CCCCc1cn(-c2cc(-n3cc(CCCC)nn3)c3ccccc3n2)nn1 84635902 NSAXCILNSGOGHF-UHFFFAOYSA-N 375.480 4.081 0 1 GIAF Cn1c(=O)c2nc(-c3ccccc3Cl)[nH]c2c2ccc(Br)cc21 95604405 RLPACHZKSYBGNK-UHFFFAOYSA-N 388.652 4.498 0 1 GIAF CN(C)C(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2O)c1 96273128 NKBNULGLBKKXFN-UHFFFAOYSA-N 382.460 4.182 0 1 GIAF CCOC(=O)Cn1c(SCCOc2cccc(CC)c2)nc2ccccc21 95594867 WNMZXVCDADJRJF-UHFFFAOYSA-N 384.501 4.333 0 1 GIAF COc1cc2c(cc1F)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574095 YTLHYVNJRJMFIE-NFBKMPQASA-N 392.382 4.343 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccncc21 587492967 YZYRPIPPUOLYRY-DEOSSOPVSA-N 385.419 4.193 0 1 GIAF CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444167 RZFZDSZPOWMBHI-LLSUNZGQSA-N 386.488 4.351 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nsnc3c2)N1 587858857 UTNBKVYOASLLRK-PWJLMRLQSA-N 378.270 4.217 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ncc(Cl)s2)N1 587852523 GVZJYZFNUFJOPH-NXSYQRQQSA-N 375.694 4.496 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2OCCCO3)N1 587834832 MOKQKPQLEZEHHZ-ZMZPIMSZSA-N 392.268 4.373 0 1 GIAF CCOC(=O)CCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349763 QNPKCPUVWBBWHG-RBBKRZOGSA-N 386.419 4.382 0 1 GIAF CCC[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800280 WOWZHYJCCVTXNM-WHWRDJHUSA-N 386.305 4.317 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CCCC(=O)CC3)nc2c1 586884645 RCCQBSHRLVXESA-JTQLQIEISA-N 379.254 4.119 0 1 GIAF COc1ccc(F)c(F)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559845 ZRZSDOWPXIVQCX-LAUBAEHRSA-N 384.334 4.382 0 1 GIAF CCCc1nc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)nn1-c1ccccc1F 587156814 SBEFFCBINFEKOS-UHFFFAOYSA-N 390.344 4.316 0 1 GIAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1-c1ccccc1 587575201 DJZRVDIKARTINZ-OFNKIYASSA-N 398.418 4.496 0 1 GIAF COc1ccc2c(C)c(CCc3nc4ccc(Cl)nc4[nH]3)c(=O)oc2c1C 586918192 JYAVYSYYYMCXHG-UHFFFAOYSA-N 383.835 4.128 0 1 GIAF Nc1ccc(F)c(Cc2nc3cc(Br)c(Br)cc3[nH]2)c1 587141468 UQHBUPHJDQTRCM-UHFFFAOYSA-N 399.061 4.400 0 1 GIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cccc(Br)c12 587497208 LQTBORKMJGMFCM-FQEVSTJZSA-N 398.256 4.141 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCOc4cc(Cl)cc(Cl)c41)[C@@H](C2)C3=O 587420081 HAXBALCXKGISFI-BUXKBTBVSA-N 377.223 4.427 0 1 GIAF O=C(O)C1C[C@@H]2CCC[C@H](C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609239 NUHJSTKQUXAIIQ-ZZIBFNLOSA-N 394.423 4.004 0 1 GIAF Cc1[nH]nc2c1[C@@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594114 KIAFHOJPJCBQER-AUSIDOKSSA-N 390.439 4.253 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nn(C)cc3c2)N1 587761155 SRCGEWYHNKQEJY-JEOXALJRSA-N 388.284 4.273 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@]12CCc1c2cc2c(c1N)CCC2 962401102 VIONIAIFGYYIKY-DEOSSOPVSA-N 389.568 4.406 0 1 GIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CNC(C)C)(c2cccc(OC)c2)N1 962963768 ZTWHJKBHCCGXPZ-UUOWRZLLSA-N 377.532 4.342 0 1 GIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CC2OCCO2)(c2ccc(F)c(F)c2)N1 962963923 XHIPTHVHSCLDPC-NPMXOYFQSA-N 398.453 4.377 0 1 GIAF CCCCCCCCCCCCNC(=O)[C@@H](NC(=O)c1cccs1)[C@@H](C)O 143345976 KIGALFRVFKFYLA-MJGOQNOKSA-N 396.597 4.264 0 1 GIAF COc1cc2c(c3c1OC(C)(C)C=C3)O[C@@H](c1ccc3c(c1)OCO3)CC2=O 14618771 DEXCLCXZBFTTDI-QGZVFWFLSA-N 380.396 4.315 0 1 GIAF biogenic C[C@H](O)[C@@H](CCCCCCC(=O)O)CCC[C@@H](O)COc1ccccc1F 169316965 QTRIUVYGJLBNLT-OKZBNKHCSA-N 384.488 4.158 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169324617 UVYBXVJYKDNRLY-FKELFSRQSA-N 386.580 4.460 0 1 GIAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](O[C@H](C)O2)[C@@H]1C/C=C\CCCC(=O)O 169347871 QJOXFJLTXPQRSO-SDUCMQQHSA-N 380.525 4.451 0 1 GIAF Cc1cccnc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1 1857636000 AFJDADLIMRSOLW-UHFFFAOYSA-N 389.411 4.346 0 1 GIAF COc1ccc(NC(=O)c2cc3cc4cc(OC)ccc4nc3o2)c(OC)c1 20210004 KRHOVEMVNVLAOK-UHFFFAOYSA-N 378.384 4.259 0 1 GIAF O=c1[nH]c2cc(C(F)(F)F)c(-n3cccc3)cc2n(C2CCCCC2)c1=O 26726137 WLNDHWYPYSUSCQ-UHFFFAOYSA-N 377.366 4.005 0 1 GIAF O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cccc(F)c2N1 115712353 OGIGRMUUQSTBDY-UHFFFAOYSA-N 387.499 4.078 0 1 GIAF CO[C@]1(CO)C[C@@]23CC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)[C@@H]2CC[C@H]1C3 2356599792 MLWZOEODCMKKCC-LLZVHFHVSA-N 378.553 4.338 0 1 GIAF COc1cc(CCCOC(C)=O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@H]2C 2356608859 VTRIMEHDVSQBRE-ZSEKCTLFSA-N 384.428 4.157 0 1 GIAF COc1cc(C(=O)O[C@@H]2CC(C)=CCC3=C(C)[C@@](O)(C(C)C)C[C@@H]32)ccc1O 2356633006 JYYOKKXDQOIMGH-NOXFTYBFSA-N 386.488 4.390 0 1 GIAF CC(C)C[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)OCc1ccccc1 71332302 UATJIVZOHZYXAL-NRFANRHFSA-N 376.456 4.123 0 1 GIAF COC(=O)Cc1ccc2c(c1)NC(=O)c1ccc(-c3ccc(OC)cc3)cc1N2 87612928 VGLSCSUDDSRWMM-UHFFFAOYSA-N 388.423 4.387 0 1 GIAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc([C@H](C)OC)cc3)oc2c1 139565373 ZLCPMONEIUVXQG-KBPBESRZSA-N 377.444 4.452 0 1 GIAF CCOC(=O)[C@@H](C)Oc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 95560858 PWFDXCQYDBDNBC-MRXNPFEDSA-N 393.439 4.188 0 1 GIAF C[C@@H](Oc1cc(-c2ccc(C(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1 147828846 KCMATVIEFKVWOM-IUODEOHRSA-N 383.398 4.138 0 1 GIAF O=C1C(=O)N(c2cccc(Cl)c2Cl)CCN1Cc1cccc(Cl)c1 95565198 GTQTWDSGJSPBMX-UHFFFAOYSA-N 383.662 4.022 0 1 GIAF CCN1C(=O)NCc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cccc21 144150646 KMJYQUNTKURGLZ-QGZVFWFLSA-N 394.475 4.160 0 1 GIAF COc1ccc2sc(CNc3nncc(-c4ccccc4Cl)n3)nc2c1 95584871 FBVDVXVTSXPZNE-UHFFFAOYSA-N 383.864 4.422 0 1 GIAF Cc1ccnc2c1c([C@@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C 587755566 HUKDBXLCKRUNEM-ZMZPIMSZSA-N 388.284 4.407 0 1 GIAF CC(C)(C)OC(=O)N(Cc1nc2ccc3ncccc3c2[nH]1)C[C@H]1CCCO1 587197162 KKRPQCSJHGTQEK-CQSZACIVSA-N 382.464 4.027 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N2CCCCCC2)N1 587764590 GFVHBDJOOHGFRQ-BFUOFWGJSA-N 397.332 4.130 0 1 GIAF CCCn1nc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587756000 JCDKRDQQNYBNNB-MGNBDDOMSA-N 380.305 4.435 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COC(C)=O)c1)CC2=O 587478959 LFFYHLVJYPBGSC-OAQYLSRUSA-N 384.428 4.123 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H]1CC[C@@]2(C)C1(C)C 587829153 QVMJKZYGOKAJNN-DBCMIRFJSA-N 380.301 4.343 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc[nH]2)(C(F)(F)F)N1 587711654 XQTYTZPLSCRPRT-CLAHSXSESA-N 377.179 4.256 0 1 GIAF C[C@@]1(c2nc3cc(Br)c(F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173333 BQYLKWZVAZVJLD-KRWDZBQOSA-N 393.187 4.232 0 1 GIAF Oc1ccc(OCCc2ccccc2)n1NCc1ccccc1Br 587941192 QJTCIJGIXDNFMS-UHFFFAOYSA-N 387.277 4.321 0 1 GIAF CC(C)(C)OC(=O)NCC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572837 RGKDDDIMZMFWFY-HTAPYJJXSA-N 399.443 4.027 0 1 GIAF O=S(=O)(CC(F)(F)F)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587210327 OQDVEIKXRMCSAP-UHFFFAOYSA-N 377.387 4.336 0 1 GIAF Cc1nc2sccn2c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587858029 XCMWARDZOBXPMA-VVVCHXIZSA-N 394.313 4.404 0 1 GIAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 587228406 LAEKEFOFFAVROX-UHFFFAOYSA-N 394.475 4.359 0 1 GIAF COC[C@@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587798208 YPZQKCFAROLFDA-BFUOFWGJSA-N 378.285 4.207 0 1 GIAF CC(=O)Nc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587746454 ZQQRQVMFGOZOOT-WLRWDXFRSA-N 391.284 4.344 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@@H]1CNC(=O)OC(C)(C)C)O2 587386857 MDSOSFYFTHMBDZ-QRQCRPRQSA-N 388.508 4.386 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(F)cc(Br)cc31)O2 587387987 YDNXMHJCXRWFGC-SFHVURJKSA-N 376.225 4.286 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](COc1ccccc1)(CC(=O)OCC)CC2=O 587485344 VLWNAOLGMOBBAD-HSZRJFAPSA-N 398.455 4.081 0 1 GIAF CCOc1n[nH]c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1Br 586979157 IJDUGRYHVKTFHQ-UHFFFAOYSA-N 393.138 4.272 0 1 GIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587336860 KQTJILCSUHBFGX-RBBKRZOGSA-N 379.387 4.209 0 1 GIAF Cc1ccc(C(=O)O)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587828738 UYJRLDUUAXJYRA-JEOXALJRSA-N 392.268 4.393 0 1 GIAF Cc1c(Br)ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 586997775 USRSUBXUALQFGR-CQSZACIVSA-N 396.082 4.478 0 1 GIAF Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)s1 587649172 KNMPESXWDPZUCC-UHFFFAOYSA-N 387.404 4.353 0 1 GIAF COC(=O)c1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587828207 MUNDNWBFNLPCGO-LZVRBXCZSA-N 396.256 4.074 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1nc2ccccc2o1 587584480 AKUHJWQZPXIHAF-NQIIRXRSSA-N 387.391 4.496 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)O2 587388227 YLNHQPYJULGBET-JYJNAYRXSA-N 388.508 4.385 0 1 GIAF CC(C)(Cl)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587007475 DHTRXSMFBWPMCE-UHFFFAOYSA-N 384.288 4.491 0 1 GIAF Fc1cc(Br)ccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587143142 XTNPQPMRZOOWEX-UHFFFAOYSA-N 375.176 4.456 0 1 GIAF CCCCCc1ccc([C@]2(C(=O)OCC)NCCc3c2c(C(C)C)nn3C)cc1 962918183 NGXJIEKZELEPCT-DEOSSOPVSA-N 397.563 4.229 0 1 GIAF CCOC(=O)Nc1snc(C)c1[C@@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963115354 VYUSHHJNLBEEHJ-MGPUTAFESA-N 389.496 4.443 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccccc1)c1cc(N)ccc1C 963609150 MDMDWJLBQBPNQP-CRICUBBOSA-N 388.511 4.421 0 1 GIAF N[C@@H](Cc1c[nH]c2ccccc12)Cn1cc(-c2ccc(Cl)c(Cl)c2)nn1 1772571465 WGRLNCTVKFHINW-AWEZNQCLSA-N 386.286 4.303 0 1 GIAF CC[C@](COC)(OC)c1cc(F)cc(OCc2ccc3c(ccc(=O)n3C)c2)c1 13733376 XYOCJTXGNAJTKG-HSZRJFAPSA-N 399.462 4.155 0 1 GIAF CC(C)(C)OC(=O)NCc1ccccc1-n1cncc1C(=O)c1ccccc1 205863835 HJTOXHATQRPKEU-UHFFFAOYSA-N 377.444 4.128 0 3 GIAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1 775044 NUZURGYJZYBUCN-RDTXWAMCSA-N 382.435 4.285 0 1 GIAF COc1ccc(-c2cc(=O)n(Cc3ccccn3)nc2-c2ccc(OC)cc2)cc1 26404129 PEKSBVPXSNBUMQ-UHFFFAOYSA-N 399.450 4.038 0 1 GIAF O=c1nc(-c2c(F)cccc2F)sn1-c1ccc(OC(F)(F)F)c(F)c1 103190966 UDVQXJXPWBKABE-UHFFFAOYSA-N 392.280 4.277 0 1 GIAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(=O)O)oc12 26251681 JJFBEGVKIVBBHB-UHFFFAOYSA-N 381.171 4.094 0 1 GIAF O=C(Oc1cccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1)c1ccccc1 29477863 LIXXNWFKABMGBZ-UHFFFAOYSA-N 385.375 4.143 0 1 GIAF NC(=O)CC[C@@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 49018240 NDVUCAXUMZGNKP-NRFANRHFSA-N 385.895 4.171 0 1 GIAF Cn1c(-c2ccccc2)cc2c(Nc3cccc(NS(C)(=O)=O)c3)nccc21 82082014 AWVJWEYEVHXFOV-UHFFFAOYSA-N 392.484 4.355 0 3 GIAF Cc1nc(-c2cnc(NCCOc3ccccc3)nc2-c2ccco2)oc1C 82165642 QEVBFGGNRFQQPG-UHFFFAOYSA-N 376.416 4.499 0 1 GIAF Cc1cccc(CSC(=N)N)c1Sc1ccccc1CSC(=N)N 84690338 WOJXWAUYLHOFCS-UHFFFAOYSA-N 376.576 4.400 0 1 GIAF c1ccc(Nc2nc(NCCc3ccncc3)nc(Nc3ccccc3)n2)cc1 148088350 FWGBWQZTIHKDLG-UHFFFAOYSA-N 383.459 4.408 0 1 GIAF CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)P(=O)(Oc1ccccc1)Oc1ccccc1 96167873 PTFZMXAQQHCHMG-GJYPPUQNSA-N 390.420 4.173 0 1 GIAF O=C(O)c1cccc(-c2cc(C(=O)O)nn2-c2ccc(Cl)c(Cl)c2)c1 299857240 DYWDKUAOLYIYRY-UHFFFAOYSA-N 377.183 4.243 0 1 GIAF Cn1ccnc1[C@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586987380 OAEFCANMDGSYCT-HNNXBMFYSA-N 381.435 4.354 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(N3CCCC3)c2)N1 587769235 YJNKPQPAAAYXIJ-BUXKBTBVSA-N 390.300 4.207 0 1 GIAF CCN(CC)C(=O)Nc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587388242 YXTVXTDCZNTCDB-JOCHJYFZSA-N 381.476 4.332 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3ccc(C(=O)OC)cc13)CC2=O 587479895 ASCSSWVKAWECAX-HSZRJFAPSA-N 393.439 4.493 0 1 GIAF Cc1ccc([C@]2([C@@H](C)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587350537 GWKASFPDQNWAKI-CHVDNLQBSA-N 392.426 4.475 0 1 GIAF Cc1cc2[nH]c(CCC[S@](=O)c3ccc(Br)cc3)nc2c(C)n1 586961941 ZGMDVDYRVGQQLC-QHCPKHFHSA-N 392.322 4.078 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(Cc3ccccc3)c1)CC2=O 587474367 CRHCQQGDFPZZPC-QHCPKHFHSA-N 376.456 4.470 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(Br)s1)CC2=O 587495100 NHABDCOUOQMVHP-MRXNPFEDSA-N 382.279 4.444 0 1 GIAF COc1ccc2c(c1)[C@@](C)(c1ccc(OC)c(CN(C)C)c1)N(C(C)C)CC2 962091162 NCEYJSISXNXTNG-XMMPIXPASA-N 382.548 4.295 0 1 GIAF CCc1cccc(F)c1[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962700302 QMIJIFFPXHXANC-NVXWUHKLSA-N 385.332 4.234 0 1 GIAF COc1ccc2c(c1OC)[C@@H](c1cccc(C(OC)OC)c1F)N(C)[C@@H](C)C2 962627139 GPKNINRPQANZOJ-RNODOKPDSA-N 389.467 4.100 0 1 GIAF O=C(OCc1ccccc1)N1CCC[C@@H](C[C@H]2NCCc3ccc(O)cc32)C1 963351193 FNVUNVJUSMZNIA-PGRDOPGGSA-N 380.488 4.018 0 1 GIAF BrC1([C@H]2c3ccsc3CCN2Cc2ccco2)CCOCC1 962713860 WYXXXPJZIYNAOR-MRXNPFEDSA-N 382.323 4.385 0 1 GIAF COc1cc([C@H]2NCCc3cnc4c(OC)cccc4c32)c(OC)cc1SC 963052827 DXLUIARPAUFZPQ-JOCHJYFZSA-N 396.512 4.218 0 1 GIAF COc1c(F)cc(F)cc1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772587074 KGBUCTAVLMJSLN-OAHLLOKOSA-N 377.318 4.374 0 1 GIAF C[C@H](Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12)C(F)(F)F 1772606449 HENJFQILYKLJFH-MNOVXSKESA-N 392.385 4.203 0 1 GIAF COc1ccc(C2=Nc3c(nc(SC)[nH]c3=O)N[C@H](c3ccccc3)C2)cc1 5503205 INZLDVKUKZXJNL-KRWDZBQOSA-N 392.484 4.178 0 1 GIAF CCOCn1nc(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n1 13489712 WZOWDQFMYHIPMC-UHFFFAOYSA-N 391.406 4.328 0 1 GIAF C[C@@H](Cc1ccco1)NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166397880 FEDGHUVSCGPXKI-INIZCTEOSA-N 389.455 4.188 0 1 GIAF CCC(=O)N[C@@H]1CCCc2c(-c3cc4c(cc3Cl)N(C)C(=O)CC4)cncc21 205022531 RESAQABNYJJGKY-LJQANCHMSA-N 397.906 4.215 0 1 GIAF O=C(Nc1ccc(Cl)cc1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4894517 RRFMQRSLXDVIBU-ATNYCFDYSA-N 394.858 4.128 0 1 GIAF C[C@H](C1CCCCC1)N1C(=O)CC(=O)N(CCc2ccc(Cl)cc2)C1=O 101678184 DUSDZHJBSIONSR-CQSZACIVSA-N 376.884 4.032 0 1 GIAF O=S(=O)(c1ccccc1)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 29210321 RQFBUTCTXBHKSY-UHFFFAOYSA-N 388.448 4.349 0 1 GIAF COC(=O)c1nc(-c2csc([C@@H](NC(=O)CC=C(C)C)C(C)C)n2)oc1C 28529558 SJVGMXZIBANGRY-HNNXBMFYSA-N 391.493 4.063 0 1 GIAF COc1cc(Cl)cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c1 66251249 AJIVZQVIMWGUQU-UHFFFAOYSA-N 392.956 4.322 0 1 GIAF COC(=O)[C@H]1CCC[C@@H](C(=O)OC)CCC=C(C)CC[C@H]2C[C@H]1OC2(C)C 2356576041 LLKYJPRIUKKHDS-CADBVGFASA-N 380.525 4.439 0 1 GIAF CN(Cc1ccccc1)C(=O)N1CC(=O)Nc2ccccc2[C@@H]1c1ccccc1 26166357 ATSBEQRAHBGVJJ-QHCPKHFHSA-N 385.467 4.282 0 1 GIAF CC(=O)Nc1ccc(CN2C[C@]3(CC(C)(C)Oc4ccccc43)OC2=O)cc1 45317554 XGZFQKARAMEOCQ-QFIPXVFZSA-N 380.444 4.054 0 1 GIAF O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)C1CCCC1 40860048 MEFIGJKDYXXCBE-UHFFFAOYSA-N 398.470 4.065 0 1 GIAF CC(C)Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1C[C@@H]1CCCO1 82185096 PPJHSDKMZITFRR-KRWDZBQOSA-N 399.926 4.469 0 1 GIAF COc1ccccc1Nc1nc(C)cc(NCc2ccc(-n3ccnc3)cc2)n1 45191806 MUBASYRSLVPOHD-UHFFFAOYSA-N 386.459 4.335 0 1 GIAF Nc1nnc(-c2cc(C(F)(F)F)nc(C(F)(F)F)c2)c(-c2ccccc2)n1 95602969 JBAMUNDBESEFNY-UHFFFAOYSA-N 385.271 4.220 0 1 GIAF O=C1Nc2ccc(O)cc2/C1=C\c1ccc2c(/C=C/c3ccncc3)n[nH]c2c1 96273697 YKIVNICLNFURQO-NHSDSWEZSA-N 380.407 4.327 0 1 GIAF CCOC(=O)c1cc(-c2cccc(OC(=O)NC3CCCCC3)c2)nn1CC 299856134 CDIRHMRKHZFUSF-UHFFFAOYSA-N 385.464 4.168 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O2 587388147 WXJCWDNDGYHQJA-QUCCMNQESA-N 396.487 4.047 0 1 GIAF COc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1F 586915041 GOUREIMNJCPIOT-UHFFFAOYSA-N 378.359 4.479 0 1 GIAF N[C@@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccccc1Cl 587056487 IAZQJWVFXZNLPC-JTQLQIEISA-N 386.627 4.500 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(Cl)cc2)N1 587699581 LBTZVQASSYCLMI-BTDLBPIBSA-N 384.676 4.012 0 1 GIAF O=C(O)c1cc(F)cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586915396 LQXMOYQYZJAVGS-UHFFFAOYSA-N 392.342 4.169 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc4c(c3)C(=O)OC4)o1)O2 587411492 JXKDZDHJQNANGG-FQEVSTJZSA-N 375.380 4.214 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2oc3cccnc3c2N)N1 587748156 VDYFKDAVWVIIEO-NIVTXAMTSA-N 390.256 4.109 0 1 GIAF CC1(C)[C@@H](C(=O)O)C[C@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356257 ZYDQXDHNIKOGKU-YQYRJILISA-N 398.430 4.396 0 1 GIAF CC(C)[C@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340960 IMIUJXSXYBQHSZ-KNQAVFIVSA-N 380.419 4.175 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](C)N(C)C)N1 587743563 XDADBOSAVDMXCQ-ARGWCVDVSA-N 391.328 4.316 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1c(C)cc(C)cc1C)[C@@H](C2)C3=O 587426925 AYDKGSNNEIROBY-GAJHUEQPSA-N 379.456 4.155 0 1 GIAF Cc1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836545 WICZCFRGLKEOEC-BUXKBTBVSA-N 376.269 4.457 0 1 GIAF Clc1ccc(-c2cnccc2-c2nc3nc(Br)c[nH]c-3n2)cc1 587073354 CPSFACOZXGLKFE-UHFFFAOYSA-N 386.640 4.449 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3cc(F)ccc32)N1 587737157 YKNZVXQEQPALOX-XTZNXHDOSA-N 378.216 4.411 0 1 GIAF CC(=O)c1ccc(-c2cc(-c3nc4c(O)nc(S)nc4[nH]3)ccc2F)cc1 587139265 FTVQCJBLENHGPH-UHFFFAOYSA-N 380.404 4.023 0 1 GIAF O=C(O)CCCSc1nnc(-c2ccc(Br)cc2Cl)o1 1857607259 HOVBHUAIBIRKBH-UHFFFAOYSA-N 377.647 4.109 0 1 GIAF O=C(CCCN1CCC(O)(c2cccc(Cl)c2)CC1)c1ccc(F)cc1 1857555832 DSUPVFQPRMPPAD-UHFFFAOYSA-N 375.871 4.426 0 1 GIAF O=C(Nc1ccc(F)c(F)c1)c1cc(NS(=O)(=O)C2CCCC2)ccc1F 1857647868 FHGIUQKJFKLZSR-UHFFFAOYSA-N 398.406 4.041 0 1 GIAF Cc1cc(Br)c2c(c1)C(=O)N[C@@H](c1c[nH]nc1-c1ccccc1)N2 1857746780 GHEVMXGDRXPGRV-KRWDZBQOSA-N 383.249 4.002 0 1 GIAF CC(C)CCn1c(CN2C(=O)C3(CC3)c3ccccc32)nc2cc(CN)ccc21 205771332 BQFOWIQRJVRYBL-UHFFFAOYSA-N 388.515 4.120 0 1 GIAF C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)C1 4598107 FBFMCRWWDKFPBY-IEGYKGNPSA-N 388.511 4.028 0 1 GIAF CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 4792818 VOLQHNFZNZQETD-YADHBBJMSA-N 389.499 4.005 0 1 GIAF Brc1ccc2c(c1)C(c1cccs1)=NNC(c1cccnc1)=N2 5522278 DSOUPDJOTYNUBX-UHFFFAOYSA-N 383.274 4.340 0 1 GIAF Cc1ccc(C(=O)c2cc3c(cc2-c2ccc(S(C)(=O)=O)cc2)OCO3)cc1 13530461 UYUKKUPKNZLCRH-UHFFFAOYSA-N 394.448 4.025 0 1 GIAF Ic1cccc(O[C@H](c2ccccc2)C2CCNCC2)c1 13530834 PKHVXHWHEHXEQU-GOSISDBHSA-N 393.268 4.411 0 1 GIAF COC(=O)[C@@H]1Cc2c(C)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1 13731589 TZLYIIRICXRTOF-QHCPKHFHSA-N 399.490 4.253 0 1 GIAF CCS(=O)(=O)N(Cc1cccnc1)c1ccc(COc2ccccc2)cc1 26836598 UWKTUBAIUVAJLH-UHFFFAOYSA-N 382.485 4.017 0 1 GIAF Cc1conc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 28116564 KJMYFGDZNNIFLG-UHFFFAOYSA-N 387.443 4.422 0 1 GIAF COc1cc(Nc2ncccc2-c2n[nH]c(Nc3ccccc3)n2)cc(OC)c1 28529859 FXPYPCWRVMICCU-UHFFFAOYSA-N 388.431 4.371 0 1 GIAF CCn1c(Nc2ccccc2N)nc2cnc(Oc3c(F)cccc3F)nc21 40567625 IGTYXDBSEQGEON-UHFFFAOYSA-N 382.374 4.243 0 1 GIAF Fc1ccc2c(CCN3CCC[C@@H](c4ccnc(NC5CC5)n4)C3)c[nH]c2c1 40913596 NPNPWCJJQLNNPC-MRXNPFEDSA-N 379.483 4.093 0 1 GIAF in-vitro C[C@@]1(C[C@](C)(O)CCCCCCCCCc2ccc(O)cc2)OC(=O)C[C@@H]1O 64528406 DIFCTNZAEJDHLR-WWNPGLIZSA-N 392.536 4.263 0 1 GIAF CC[C@H](C)Nc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2ccccc2)n1 82133545 XJSJIDNONJBAQV-INIZCTEOSA-N 392.478 4.466 0 1 GIAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCCC2)nc1-c1ccccc1 82134002 KLEUYOZQEQWEEE-UHFFFAOYSA-N 380.536 4.498 0 1 GIAF CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)cn3)nc2c1 95595932 DGDJDPOOTYPSCP-UHFFFAOYSA-N 379.441 4.211 0 1 GIAF C[C@@]1(c2cc(Cl)cc(CC(=O)c3ccc(Cl)cn3)c2)CCSC(N)=N1 96174330 DUXTWGKKXUDKCF-SFHVURJKSA-N 394.327 4.481 0 1 GIAF CCCn1c(Oc2cccc3[nH]ccc23)nc2nc(C3CCCC3)[nH]c2c1=O 117381512 MSNZODHVTARHQZ-UHFFFAOYSA-N 377.448 4.461 0 1 GIAF COc1ccc2nc(O)c(Cc3cncc4cc(OC)c(OC)cc34)cc2c1 145146909 DLDBARCMILFERM-UHFFFAOYSA-N 376.412 4.105 0 1 GIAF O=C(Nc1ccc(O)c(F)c1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 167035353 ULASMFZQHLZMAA-UHFFFAOYSA-N 387.374 4.203 0 1 GIAF O=C(NCc1cc(-c2cccc(F)c2)no1)NCC12CC3CC(CC(C3)C1)C2 473154630 JMROSLIYMVGGNJ-UHFFFAOYSA-N 383.467 4.496 0 1 GIAF FC(F)c1c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cnc2ncnn12 587127935 DEZFBGFGBHBPCX-UHFFFAOYSA-N 388.687 4.277 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC)ncc4[nH]3)cc2F)c1 587144162 SGQWLJMVVAFCOA-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF CCOC(=O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587169169 WLYTVQDYJSPZDV-UHFFFAOYSA-N 391.406 4.004 0 1 GIAF FC1(F)Oc2cc3nc(-c4ccc(CNCc5ccco5)cc4)[nH]c3cc2O1 587231395 ALHVTRXXJDIZHV-UHFFFAOYSA-N 383.354 4.434 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cn(Cc3ccc(F)cc3)nn1)CC2=O 587465545 FPFRLMCSJBMPBL-QFIPXVFZSA-N 395.434 4.004 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](CCc1ccc(C(=O)OCC)cc1)CC2=O 587482288 NMWSSGXOAHQISI-QGZVFWFLSA-N 382.456 4.488 0 1 GIAF COC(=O)[C@]1(c2c(C)[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587527228 UBNBCSQYTSUCCX-XMMPIXPASA-N 389.451 4.389 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1C[C@@H]1CCCO1 587578887 SAQMWDDSJMEURZ-RWAHWCJQSA-N 391.423 4.076 0 1 GIAF Cc1nc(Cl)c(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)nc1C 587657439 UFSYUEHUHQOFDD-UHFFFAOYSA-N 380.810 4.252 0 1 GIAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(F)c1F 587716931 KCZVOVRJUKJNHW-CQLKUDPESA-N 386.211 4.499 0 1 GIAF Cc1c(C(F)(F)F)n[nH]c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587718542 ISNMCLVYPTYURX-CAAJLBCPSA-N 392.194 4.262 0 1 GIAF COC(=O)[C@@H]1CCCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587809058 QALIRFLXTGGTBG-RRUGBERISA-N 384.289 4.071 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cccc(NN)c1 587860363 SDWXIECQYUBTBC-UHFFFAOYSA-N 391.258 4.230 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C(C)(C)C)n[nH]1 587864368 YVUQKIXSPKXIFG-UHFFFAOYSA-N 392.381 4.287 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCCSC 587866304 JKRNXCQUOBLCNS-UHFFFAOYSA-N 389.468 4.053 0 1 GIAF O=C(O)CCCCCCCCCCCCc1nc2c(O)nc(S)nc2[nH]1 587957729 RKRGGQJUAFIZKL-UHFFFAOYSA-N 380.514 4.265 0 1 GIAF C[C@H](CCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1)CC(=O)O 587962620 HMQVASHPFKKAAK-SSDOTTSWSA-N 395.175 4.267 0 1 GIAF Cc1cc(Br)c([C@H]2NCCc3c(C(=O)O)cccc32)cc1Cl 963125799 USTAUKITXZVTAU-INIZCTEOSA-N 380.669 4.344 0 1 GIAF COc1ccc([C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1OC(F)(F)F 963582128 PGGVHSNLDOIVCC-WYRIXSBYSA-N 397.393 4.235 0 1 GIAF NC(=O)c1cc(Cl)c2c(Cl)c(-c3ccccc3)n([C@@H]3CCCNC3)c2n1 1772604206 LMUQPBXEPPNVJF-GFCCVEGCSA-N 389.286 4.034 0 1 GIAF O=C(Oc1cccc(N2CCOCC2)c1)N1CCC(c2ccc(F)cc2)CC1 1857534920 INROWVYUSUEXPE-UHFFFAOYSA-N 384.451 4.041 0 1 GIAF O=S(=O)(c1ccccc1)N1CCc2c(C3CCN(C4CCC4)CC3)cccc21 1857608268 CIFWZVFZJHWVIS-UHFFFAOYSA-N 396.556 4.170 0 1 GIAF O=C1[C@H]2C[C@@H](CN2Cc2cnc3ccccc3c2)Oc2ccccc2N1CC1CC1 2356300358 UOBRBTKLTXJYDG-NZQKXSOJSA-N 399.494 4.013 0 1 GIAF CSc1ncccc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 12479119 AVPOWZDSXIFMHT-LJQANCHMSA-N 392.528 4.413 0 3 GIAF O=c1[nH]c(=S)[nH]c2c1[C@@H](c1ccc(F)cc1)O[C@@H](CCc1ccccc1)C2 95571468 YDXIAANOZDDBCX-QFBILLFUSA-N 382.460 4.235 0 3 GIAF Fc1ccc2c(C3=CCN(CCOc4cccc5c4OCCO5)CC3)c[nH]c2c1 595487 MZVZZQMOBNGKQR-UHFFFAOYSA-N 394.446 4.246 0 1 GIAF CN(Cc1ccccc1)C(=O)[C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2466575 YJJVYUHMVNPTNO-BJKOFHAPSA-N 396.490 4.182 0 1 GIAF CCCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@]2(C)C1=O 5783584 IDRPPAXCLPSHQJ-YOEKFXIASA-N 397.515 4.233 0 1 GIAF c1ccc2c(c1)CCC[C@H]2CCN1CCN(c2cccc3c2OCCO3)CC1 13743671 ZAXUTUNLFKXRSQ-FQEVSTJZSA-N 378.516 4.090 0 1 GIAF COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2cccc(F)c2)ccc1O 16012132 MEGDBMAHHNSLRU-AJSBUHFISA-N 385.479 4.408 0 1 GIAF COc1ccc(-c2sc(C)nc2-c2cc(OC)c(OC)c(OC)c2)cc1N 26945759 URZIRQBUNCGIQI-UHFFFAOYSA-N 386.473 4.402 0 1 GIAF COc1ccc([C@@H]2CC=CCN([C@H](CN3CCCC3)c3ccccc3)C2=O)cc1 28383878 UUZWUUSCTGUCEH-BJKOFHAPSA-N 390.527 4.404 0 1 GIAF COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)ccc(F)c2F)cc1C 28387452 QBLSJWUWGYGOCF-UHFFFAOYSA-N 389.423 4.263 0 1 GIAF CC1(C)CC[C@H]2N=C(CCCN3CC=C(c4ccccc4)CC3)NC(=O)[C@@H]2C1 28526544 IIAWNEDZKNPAQI-NHCUHLMSSA-N 379.548 4.279 0 1 GIAF O=C(Nc1ccon1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 29126189 MMNAKZNYDMNNBI-UHFFFAOYSA-N 379.803 4.152 0 1 GIAF Cc1ccc(CNc2cc(Cl)nc(-c3ccc(S(C)(=O)=O)cc3)n2)cc1 29132034 OZXACHALPXFLIO-UHFFFAOYSA-N 387.892 4.121 0 1 GIAF CC(C)[C@@H]1COCCS(=O)(=O)N1Cc1ccccc1-c1cccc(Cl)c1 72137639 HSUSRKBWOLTXMI-FQEVSTJZSA-N 393.936 4.194 0 1 GIAF CCOc1ccc(-c2nc(CNCc3cc(OC)c(OC)c(OC)c3)co2)cc1 72186426 FHKJIQOZZGXDCD-UHFFFAOYSA-N 398.459 4.056 0 1 GIAF c1cncc(-c2nc3c(NC4CCCCCC4)ncnc3n2C[C@@H]2CCCO2)c1 82190229 UEKGIVLHMHVYKR-SFHVURJKSA-N 392.507 4.202 0 1 GIAF O=C(c1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(F)cc2)cc1 100106927 FZQVPPYRWIRNRS-NUNAXRQHSA-N 390.433 4.212 0 1 GIAF COc1ccc(-c2n[nH]c3ccc(NC(=O)c4ccc(C(=O)O)cc4)cc23)cc1 164764750 AJWQHUYWVDAPKG-UHFFFAOYSA-N 387.395 4.189 0 1 GIAF O=C(O)C[C@@H](NC(=O)c1cc(-c2ccccc2)ccn1)c1ccccc1Cl 223538023 PUVFFEORFOZVTN-GOSISDBHSA-N 380.831 4.348 0 1 GIAF CCOc1ncc(CN2CCC(N(C)Cc3c(F)cccc3Cl)CC2)s1 299864939 SFZPEBUQLCJKJI-UHFFFAOYSA-N 397.947 4.431 0 1 GIAF O=c1cc(CO)oc([C@@H]2C=C(c3ccccc3)Oc3ccc(Cl)cc32)c1O 299869204 UFYKIPFNLAMYPM-MRXNPFEDSA-N 382.799 4.057 0 1 GIAF Cc1cc(NCc2c(F)cccc2C(F)(F)F)c2cccc(C(N)=O)c2n1 473086644 BXZGSIDSJSGAJE-UHFFFAOYSA-N 377.341 4.412 0 1 GIAF Cc1ccc(-c2ccc(-c3nc4c(S(=O)(=O)N(C)C)cccc4[nH]3)cc2)o1 586905528 SIYHLTATRWUYHP-UHFFFAOYSA-N 381.457 4.049 0 1 GIAF COc1cc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2cc1F 586964992 CNVSRUMTQBMZQC-UHFFFAOYSA-N 383.452 4.107 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccnc(Br)c2[nH]1 587078707 AEQHIJPGRPLCSP-NSHDSACASA-N 390.672 4.098 0 1 GIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(Br)ccc2[nH]1 587147236 HPXAVANIDSYQNQ-UHFFFAOYSA-N 390.191 4.066 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(CCO)cc2[nH]1 587189982 FQFAAXJUSBKUIX-IBGZPJMESA-N 381.476 4.054 0 1 GIAF COC(=O)C[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348224 GTQSZIOIDIHRGF-GNOCETLISA-N 398.430 4.382 0 1 GIAF CC1(C)Cc2n[nH]cc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351187 ZANQCXJMIGESRF-NZQKXSOJSA-N 392.430 4.481 0 1 GIAF CCOC(=O)C[C@@]1(C23CC4CC(CC(C4)C2)C3)CC(=O)c2cc(C)cc(N)c2O1 587397774 BAALRDCEGQYEBA-JJHVHIABSA-N 397.515 4.451 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2cc(O)cc(O)c21 587410821 ZTEZKROCRUTJMG-JOCHJYFZSA-N 375.380 4.003 0 1 GIAF O=C(N[C@@H]1CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3)OCc1ccccc1 587513272 RIFQJBFZRVQYBC-QPPBQGQZSA-N 391.467 4.358 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1Cl)OCO2 587551441 FLHHTKXDQSCXJO-GHTZIAJQSA-N 396.782 4.477 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCc1nc2ccccc2o1 587584479 AKUHJWQZPXIHAF-GHTZIAJQSA-N 387.391 4.496 0 1 GIAF CCCC[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597195 QAUZCRWCABGCDV-BVZALQNUSA-N 398.455 4.482 0 1 GIAF CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587612405 UXKSGARWBZVJJR-RDQXKTIUSA-N 394.423 4.004 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(Cl)nc32)N1 587707409 VJKAKHARXPIPAA-XYZCENFISA-N 381.676 4.361 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2ccc(F)c(F)c2)N1 587726066 UDQYQSPBXPHFLL-PWJLMRLQSA-N 384.195 4.325 0 1 GIAF CC(C)Oc1ncccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587775028 YDHUKWQCEGICPK-PIGZYNQJSA-N 379.273 4.394 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2ccc(Cl)cc2[nH]1 587869041 YRGWWYHNVLTYQU-UHFFFAOYSA-N 393.756 4.491 0 1 GIAF COc1ccc(C[C@@H](C)c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1OC 587927481 VGWFMLCJZNMJLW-CYBMUJFWSA-N 380.423 4.251 0 1 GIAF CCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 653724779 RZLZELGICQMPFL-IBGZPJMESA-N 383.488 4.244 0 1 GIAF Cc1ccc([C@]2(c3ccc(C)c(C)c3)N[C@H](C(=O)O)Cc3cccc(F)c32)cn1 962922231 PIOYJUWVWIIZNZ-URXFXBBRSA-N 390.458 4.037 0 1 GIAF CCOC(=O)c1ccc(CC[C@@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963634592 KUTLXZRHYBICMC-BEFAXECRSA-N 383.488 4.089 0 1 GIAF CC[C@@H]1C(=O)N(C)c2cnc(-n3ccc4cc(F)ccc43)nc2N1C1CCCC1 1857631171 IXXVOBKEHRSFMP-QGZVFWFLSA-N 393.466 4.064 0 1 GIAF CC(C)c1ccc(CC(=O)NCc2ccn(Cc3ccc(F)c(F)c3)n2)cc1 1857639542 WESARZWFBOCZMD-UHFFFAOYSA-N 383.442 4.192 0 1 GIAF Cc1nc(C=C[C@@H]2CC=CCCC[C@H](C)C(=O)[C@H](C)[C@H](O)CC(=O)O2)cs1 2356336842 OAXHQZGPHDPLOS-QGWWYQLQSA-N 391.533 4.099 0 1 GIAF CCC=C(C)[C@H](O)[C@H](C)C=C(C)C=CC=CC=CC=C(C)C(=O)N[C@@H](C)CO 2356508782 QGJPEZISMDKYLK-VJBWXMMDSA-N 387.564 4.398 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@H]2C[C@H](O)CC[C@]21C 2356814526 CILFZDDLSHDCJG-GEGNTMDBSA-N 378.553 4.088 0 1 GIAF Cc1ccccc1S(=O)(=O)N1CCCc2nc(-c3ccc(F)cc3)ccc21 199725258 YROYDXFWXKGPMH-UHFFFAOYSA-N 382.460 4.338 0 3 GIAF Cc1nc2ccn(Cc3cccs3)c(=O)c2cc1C(=O)Nc1ccccc1 6917112 JPWWAORRCWHTHU-UHFFFAOYSA-N 375.453 4.067 0 1 GIAF COc1ccccc1N1CCN(CCCCNc2nccc3ccccc23)CC1 58592481 GVOWTPVTYQMHDU-UHFFFAOYSA-N 390.531 4.258 0 1 GIAF O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCC[C@H]3C3CCCCC3)c2s1 62224932 XEDUTQMPNJLZKT-LESCRADOSA-N 390.549 4.057 0 1 GIAF CC(C)CN1C(=O)CO[C@H]1c1cnccc1-c1ccc(Br)cc1 28819645 WRURJOPUFKMPRP-SFHVURJKSA-N 375.266 4.025 0 1 GIAF O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](CC[C@@H](O)C3Cc4ccccc4C3)[C@H]2C1 26148559 UFZMJHCRGNECQE-ACIKNVOUSA-N 398.543 4.131 0 1 GIAF CC(C)N(CCO)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 27308401 NQSWBYKEKMCWET-UHFFFAOYSA-N 388.903 4.011 0 1 GIAF O=c1[nH]c2ccccc2n([C@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O 115716152 QVJLNGKSPRALSV-ACDBMABISA-N 395.547 4.361 0 1 GIAF c1ccc(C2CCN(Nc3nc(NC4CCCCC4)c4nc[nH]c4n3)CC2)cc1 28459601 OMGRYJUMIOVZQQ-UHFFFAOYSA-N 391.523 4.304 0 1 GIAF COCCO[C@@H]1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)=O 118921485 OLSDVGOTQMTADD-SZMXVKILSA-N 390.564 4.157 0 1 GIAF O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1cc(N3CCOCC3)ccc12 61942608 VFVOMJYPBNXRLG-PGRDOPGGSA-N 378.472 4.094 0 1 GIAF O=C(Nc1ccccc1)c1cc([C@@H]2CCCCN2C(=O)c2ccccc2)on1 61906561 AXMQDKFEMHPUCL-IBGZPJMESA-N 375.428 4.294 0 3 GIAF O=C(Nc1ccccc1Cl)N1CCC(c2nc(-c3cccnc3)no2)CC1 72179501 PQNIPBJCDYGVCB-UHFFFAOYSA-N 383.839 4.197 0 1 GIAF COc1ccc(C(=O)O[C@@H]2C[C@@H]3[C@@H](C=C2C)C(C)(C)CCC[C@@]3(C)O)cc1O 14439380 NHNLUSZGALQDIN-FOWVLEKCSA-N 388.504 4.470 0 1 GIAF biogenic C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cncc(F)c3)c2cn1)c1ccc(F)cc1 219773582 BAOYCVBJBODGFV-LLVKDONJSA-N 394.385 4.181 0 1 GIAF COC(=O)[C@H]1CC[C@@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)OC1=O 40917602 LTDZSQRPECWURW-FVLVKUNMSA-N 398.499 4.113 0 1 GIAF CCC(CC)Nc1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12 40409976 XVLUMDJLLNUQIW-UHFFFAOYSA-N 383.496 4.334 0 1 GIAF O=C1N(Cc2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2 96173044 GFXQGGGPTWXAKG-UHFFFAOYSA-N 386.499 4.039 0 1 GIAF COc1cc2c(C[C@H]3CCC[C@@H](C)C3)c(C(=O)Nc3nn[nH]n3)sc2cc1C 95565944 VFNNESNZARAGRT-YPMHNXCESA-N 399.520 4.353 0 1 GIAF O=C(Nc1ncnc2[nH]cnc12)c1ccccc1-c1ccc(-n2cccc2)cc1 653795831 QQGPIOCHHKXXQC-UHFFFAOYSA-N 380.411 4.063 0 1 GIAF COc1cc(OC)c2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2c1 587242341 SZAKRCQUDKWFHW-UHFFFAOYSA-N 385.420 4.300 0 1 GIAF CC1=C(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)Cn2ncnc2N1C 587097523 QGKNXUUWLURBOD-UHFFFAOYSA-N 393.450 4.227 0 1 GIAF COC(=O)[C@H](C)[C@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587524292 LKRGCSYUPWIHAI-OWJWWREXSA-N 394.467 4.244 0 1 GIAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3CC=CC[C@H]3C)[nH]c2c1 587970448 HQVFWLYAWKYLKE-GDBMZVCRSA-N 397.500 4.442 0 1 GIAF O=Cc1ccc(OCc2occc2-c2nc3ccc(Br)nc3[nH]2)cc1 586900749 LLEZCFNSTMEASH-UHFFFAOYSA-N 398.216 4.372 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCCC[C@@H]1CNC(=O)OC(C)(C)C)O2 587386854 MDSOSFYFTHMBDZ-IVZQSRNASA-N 388.508 4.386 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCO3 587189410 AFJVYGHPBLZCJW-IBGZPJMESA-N 395.459 4.290 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccc(OC)cc3nc1O)CC2=O 587488821 KJIMHKSLQYSBED-FQEVSTJZSA-N 379.412 4.314 0 1 GIAF CC[C@@]1(C2(C(=O)OC)CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345912 ADCMOSRRABAXFB-WMZHIEFXSA-N 398.430 4.382 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCCC(=O)O)c1)CC2=O 587481389 LXFNJERHNDSJKR-FQEVSTJZSA-N 384.428 4.295 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(-c3cnccn3)nc1C)CC2=O 587493917 JBPWHJJSDFJESU-OAQYLSRUSA-N 395.484 4.447 0 1 GIAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COC(C)=O 587521774 CKOXBBMBPXYOQC-JOCHJYFZSA-N 380.440 4.344 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)N(C)Cc1ccccc1Cl)O2 587379356 UDENLEFXBUGISK-OAQYLSRUSA-N 386.879 4.003 0 1 GIAF Sc1nc(S)c2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2n1 587195249 CSPIWDLNKBWLMQ-UHFFFAOYSA-N 379.514 4.137 0 1 GIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 587164670 YVXKYKGYQCHRLB-CYBMUJFWSA-N 383.652 4.164 0 1 GIAF C[C@H](Oc1cccnc1)[C@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587514249 WEMHZCDUNLTRHZ-KSMRRNFFSA-N 392.499 4.207 0 1 GIAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCCC1 587396869 WRSWTBYQLWMZCB-HSZRJFAPSA-N 380.488 4.062 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(F)cc(F)cc12 587571600 QRXDUBUXCXZALZ-XMSQKQJNSA-N 396.345 4.310 0 1 GIAF CCC[C@@]1(c2cn(CC(=O)O)c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587389701 IPJJHSHEHNBIRM-QHCPKHFHSA-N 392.455 4.277 0 1 GIAF Cc1c(Br)cccc1[C@@]1(C)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963033193 QHXOGVGXNADKFX-RNODOKPDSA-N 385.305 4.074 0 1 GIAF CCc1cccc(-c2nc([C@H]3NCCc4ccc(C(=O)N(C)C)cc43)cs2)c1 962929781 XMIMMHMCDSYCAT-NRFANRHFSA-N 391.540 4.309 0 1 GIAF Nc1ncc(Cn2ccc3c(-c4ccc(C(F)(F)F)cc4)cccc32)c(N)n1 1772596290 RHMTUQHEJULJGL-UHFFFAOYSA-N 383.377 4.330 0 1 GIAF NC(=O)c1ccccc1-c1cccc(COc2ccc(CCC(=O)O)s2)c1 1772614554 PEMAAPUHXMRPCF-UHFFFAOYSA-N 381.453 4.110 0 1 GIAF CCN(C(=O)Cn1cccc1C1=N[C@H](c2ccccc2)CO1)c1cccc(C)c1 4970899 DQDNYRXVVUKQQH-NRFANRHFSA-N 387.483 4.368 0 1 GIAF C=C(CCCC(C)=O)[C@@H]1C(=O)O[C@H](CC=C(C)C)C2=CO[C@H](OC(C)=O)C[C@@H]21 13310187 ZTZIHQBJVZOZFJ-KCLUMXDGSA-N 390.476 4.009 0 1 GIAF biogenic CCOC(=O)OC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1cccc(N(C)C)c1 13783037 BJQHPHLOVQMVEG-FKBYEOEOSA-N 397.471 4.369 0 1 GIAF CN(C)c1cccc(N(C)C)c1NC(=O)NCC1(c2ccccc2)CCCC1 13833491 AESRTHNGHHUGBP-UHFFFAOYSA-N 380.536 4.452 0 1 GIAF COc1ccc(CC(F)(F)F)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22450672 GXIYYBXZKMHKPE-ICSRJNTNSA-N 378.438 4.383 0 1 GIAF O=C1CS[C@H](c2cnccc2-c2ccc(Br)cc2)N1C1CC1 28819542 RYKMVCQKRUDEGD-QGZVFWFLSA-N 375.291 4.248 0 1 GIAF C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(Br)c4)cc3c21 28902056 ZPGNQCXYWXRURT-JTQLQIEISA-N 398.260 4.030 0 1 GIAF CCCc1nc(C)c2c(OCCc3ccccc3)nc3ccc(OC)nc3n12 49045998 BCEDCYOCCOCEEY-UHFFFAOYSA-N 376.460 4.169 0 1 GIAF CC(C)CNC(=O)c1cccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 72185725 OTOLLQGSEVOVMI-QHCPKHFHSA-N 394.902 4.405 0 1 GIAF COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C2=NC(=O)CS2)cc1 95578364 YKNCVASLEMNJKB-IBGZPJMESA-N 379.485 4.093 0 1 GIAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCCC3)cc2)[C@H]1CNCC1CCC1 95871746 QTISZJALTBDTMO-VDKIKQQVSA-N 396.575 4.099 0 1 GIAF Cc1cc(NC(=O)Nc2nnc(-c3ccncc3)s2)ccc1Br 96284275 UDIRRVGIQHMBEE-UHFFFAOYSA-N 390.266 4.315 0 1 GIAF COC(=O)c1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620835 LEEGNABSFRNDRV-UNMCSNQZSA-N 388.467 4.066 0 1 GIAF COc1ccc(Cc2c3c(nn2C)CCc2cnc(Nc4ccccc4)nc2-3)cc1 143037857 XZHJPTOXFZXRDL-UHFFFAOYSA-N 397.482 4.319 0 1 GIAF CCc1ccccc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167178039 RMTSKHWVOUHFFL-UHFFFAOYSA-N 387.483 4.054 0 1 GIAF Cn1nc2c(c1-c1ccccc1)-c1nc(Nc3cccc4c3OCC4)ncc1CC2 169702146 GSMDCXLOPSZPLI-UHFFFAOYSA-N 395.466 4.321 0 1 GIAF COC(=O)C1CCC(C(=O)N2CC[C@@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1 205475244 MQXLZGZVVFSKIK-LZAVVRFLSA-N 383.532 4.107 0 1 GIAF CCO[C@H](C)c1nc(C)c(-c2nc3c(F)cnc(Br)c3[nH]2)s1 587013673 ASZGODRAMJCMCU-SSDOTTSWSA-N 385.262 4.389 0 1 GIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 587039739 IUYRKXNCHVONEE-QMMMGPOBSA-N 375.281 4.247 0 1 GIAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(O)nc(O)nc2[nH]1 587072746 WDYUICSRSKZFCY-GZXATSTBSA-N 391.258 4.437 0 1 GIAF Cc1c(Cl)ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587195643 GMDMIJPXSWTAGU-CYBMUJFWSA-N 379.888 4.441 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587232952 DQXMURWAWWECIC-GXTWGEPZSA-N 385.443 4.049 0 1 GIAF CCO/C=C\[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328738 KECFZHIKYAZGJT-VDQJSUDESA-N 378.346 4.444 0 1 GIAF C[C@@]1(c2ccc(C(=O)O)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347464 BSXYGFBDOQHPSZ-RXVVDRJESA-N 382.343 4.097 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCN(Cc3ccccc3)C[C@H]1F)CC2=O 587471138 JBVCAKNVMNQPOR-FYYLOGMGSA-N 383.463 4.293 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](C(=O)c1ccc(OCC)c(OCC)c1)CC2=O 587478322 IYTVYACBRJHGLK-NRFANRHFSA-N 398.455 4.359 0 1 GIAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587559591 XRAZZRQKNXRJIN-UGKGYDQZSA-N 380.371 4.417 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(F)cc1C2 587567889 FQJUPACCXROWHC-NFBKMPQASA-N 376.383 4.421 0 1 GIAF COc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600071 KQCLOQMJYVAPJZ-NFBKMPQASA-N 376.408 4.364 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]2NC(=O)OC(C)(C)C)N1 587742077 JFJMUEDQFWAQPI-TZOQJCELSA-N 399.304 4.005 0 1 GIAF CCOC(=O)C1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CCC1 587794856 HLQADAJYIIBWNL-GTNSWQLSSA-N 384.289 4.071 0 1 GIAF CCOc1ccc(C(=O)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587799015 AAGFLNHSVGWELV-ZMZPIMSZSA-N 392.268 4.445 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccsc2C(=O)O)N1 587846222 UMWYREJNARSAKP-BCTVWOGZSA-N 384.270 4.146 0 1 GIAF CCCn1cc(Cl)c(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)n1 587871248 RGEZUXJJPLINGJ-UHFFFAOYSA-N 376.819 4.036 0 1 GIAF COc1ccc2c(c1)C=C([C@@]1(C)c3c(ccc(OC)c3OC)C[C@@H](C)N1C)CO2 962564532 HDISOICWLNDDMB-MYYSRTQBSA-N 395.499 4.280 0 1 GIAF Cc1nc(-c2ccccc2)sc1[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962891287 DFGHQMVMSMAWFO-KKSFZXQISA-N 382.460 4.120 0 1 GIAF Cc1ccc([C@@]2(C[C@H]3CC[C@@H](C(=O)O)C3)NCCc3c2c(C(C)C)nn3C)cc1 962920274 MHRDAGZGDXXWTK-HOOSLVGPSA-N 395.547 4.132 0 1 GIAF CN(C)C1CCC2(CC1)NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962964720 YZIHNNJMVRIHKD-UHFFFAOYSA-N 382.470 4.056 0 1 GIAF Fc1cccc(-c2nc3sccn3c2[C@@H]2NCCc3nc4ccccn4c32)c1 962989634 AHHYXEBQWSERNA-GOSISDBHSA-N 389.459 4.085 0 1 GIAF COc1cc(-c2cc(C)c(OC)c(C)c2)cc2c1OCCN(C(=O)C1CC1)C2 1772601982 QMCFMCXKTNPXRE-UHFFFAOYSA-N 381.472 4.119 0 1 GIAF CC(=O)O[C@@H]1[C@H](O)c2c(C)coc2CC(C)=CCC[C@@H](C)[C@H]2CC[C@@]1(C)O2 2356786415 AQUCDLLZQHHABV-AAMFELJASA-N 376.493 4.410 0 1 GIAF O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCc2ccccc21 1329493 BKYLPUHFQAGDSX-UHFFFAOYSA-N 386.480 4.306 0 3 GIAF aggregator Cc1ccc(-n2c(S)c(C(=O)N[C@H](C)c3ccccc3)[n+]3ccccc23)cc1 5694338 PUKFBVCCKZFSBJ-QGZVFWFLSA-O 388.516 4.304 0 3 GIAF COc1cccc([C@@H](NC(C)=O)c2nc(-c3cccc(NC(C)=O)c3)cs2)c1 61906255 ZUOLOWODCCVHPL-HXUWFJFHSA-N 395.484 4.003 0 3 GIAF CCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 586418 FZIAKTKGPHNJCW-UHFFFAOYSA-N 395.470 4.279 0 1 GIAF O=C(NC1CCCCCC1)C1CCN(C(=O)c2sccc2-n2cccc2)CC1 5135442 YSRYFQZJYFGKFV-UHFFFAOYSA-N 399.560 4.230 0 1 GIAF O=C(NCCCCc1ccccc1)c1ccccc1CNCc1ccc(O)cc1 13589107 YESAYNJVGUKZIO-UHFFFAOYSA-N 388.511 4.435 0 1 GIAF Clc1cccc(N2CCN(Cc3cnn4c3ccc3ccccc34)CC2)c1 13862508 MVCCRMZGECOLRZ-UHFFFAOYSA-N 376.891 4.463 0 1 GIAF COC(=O)c1c(C)c2c(c(C)c1O)OC(=O)c1c(C)c(Cl)c(O)c(C)c1O2 14514492 JQJKBBTUDUHIPR-UHFFFAOYSA-N 392.791 4.096 0 1 GIAF biogenic COc1cc(-c2coc3c4c(cc(O)c3c2=O)OC(C)(C)C=C4)c(OC)cc1O 14768771 LKQBEBUFBFOQAS-UHFFFAOYSA-N 396.395 4.073 0 1 GIAF biogenic O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCc3ccc(Cl)cc31)CC2 28886347 NPIDMNLGLLNKTA-NRFANRHFSA-N 395.934 4.146 0 1 GIAF O=C1Nc2cc(C(F)(F)F)ccc2[C@@]1(O)c1cc(-c2ccccc2)ccc1O 29306838 PVJOSBMBOTXOFM-HXUWFJFHSA-N 385.341 4.266 0 1 GIAF Nc1ncnc2scc(-c3ccc(NC(=O)Cc4cc(F)ccc4F)cc3)c12 95552987 OYPSWGQEIRWPRG-UHFFFAOYSA-N 396.422 4.400 0 1 GIAF COc1cc(OC)c2c(=O)cc(-c3ccc(F)cc3F)oc2c1-c1ccnn1C 95592311 UHFGJIQSIQAEKK-UHFFFAOYSA-N 398.365 4.156 0 1 GIAF CC(=O)N[C@@H](C)Cc1ccc(OC2CN(c3ccc(C(C)(C)C)cc3)C2)cc1 96172843 YBFGPFLYUGTUKD-KRWDZBQOSA-N 380.532 4.319 0 1 GIAF CCN1CC2=C(NC(=S)N[C@H]2c2ccccc2C)/C(=C/c2ccccc2C)C1 96282934 AQDAARKFMNDVFK-FOYGFLCZSA-N 389.568 4.495 0 1 GIAF Cc1nn(Cc2cccc(F)c2)cc1-c1c[nH]c2ncc(-c3cnn(C)c3)cc12 96282980 FADONZKXBUVWLH-UHFFFAOYSA-N 386.434 4.323 0 1 GIAF CCCN(CCCCCc1ccc(O)c(O)c1)[C@H]1CCc2nc(N)sc2C1 142622419 CVHFBMSYCSPBIQ-INIZCTEOSA-N 389.565 4.119 0 1 GIAF CC1(C)Oc2ncnc(N)c2N[C@H]1c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 253804838 HFRMBAKVLJMJNB-NJSLBKSFSA-N 396.491 4.132 0 1 GIAF CC[C@H]1C[C@]2(C[C@@H](CC)N1Cc1ccccc1)C(=O)NC(=O)N2c1ccccc1 299806139 JUFHLTWJDLYGGA-IRJINJETSA-N 391.515 4.335 0 1 GIAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)C(=O)N2CCCN=C2N3C)cc1 299827638 GQKSVFIRHIIXHW-UHFFFAOYSA-N 392.459 4.073 0 1 GIAF N=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ncccn1 299869050 TVNWOROHLIUWBV-FNUYTPMSSA-N 388.452 4.111 0 1 GIAF CN(Cc1ccccc1)C(=O)C[C@H](CO)c1ccc(OCc2ccccc2)cc1 473153336 ANDVVYCTFKXKOA-HSZRJFAPSA-N 389.495 4.390 0 1 GIAF O=S(=O)(Cc1ccccc1-c1nc2c(Cl)ccnc2[nH]1)c1ccccc1 586921009 BCLSJBIPTYPDJG-UHFFFAOYSA-N 383.860 4.252 0 1 GIAF CCc1ccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1Br 586976658 GVARHEHZDNQLQU-UHFFFAOYSA-N 399.336 4.307 0 1 GIAF Cc1nc2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2cc1Br 587077299 VDWYHFRTRIFRQW-CQSZACIVSA-N 391.656 4.299 0 1 GIAF CC1(C)[C@H]2C[C@H]1[C@@](C)(O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346806 AJVUKXMVTFSSAH-CYHRDTFDSA-N 396.458 4.446 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cccc(Cl)c1)CC2=O 587463201 SQCOMTANZYFVLB-OAQYLSRUSA-N 388.847 4.422 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)Oc3ccc(CC)cc31)CC2=O 587483769 GMPFZEHRYZMNPY-HSZRJFAPSA-N 394.423 4.129 0 1 GIAF O=C1C[C@@H](c2ccc(OC(F)(F)C(=O)O)cc2)Oc2c1ccc1c2CCCC1 587508222 TZTROAHMXJUJMT-SFHVURJKSA-N 388.366 4.328 0 1 GIAF CCOC(=O)[C@@H](Cc1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521706 FDBAELDTSMZCSZ-UNMCSNQZSA-N 378.468 4.321 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCNc1ccc(F)cc12 587572832 XASBTELFJKJLQG-SIKLNZKXSA-N 377.371 4.204 0 1 GIAF CCn1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587583445 WIUWUZNGMJHSKY-CVDCTZTESA-N 386.407 4.465 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(=O)O)ccc2F)N1 587720150 RJPOGTDQVUNMJN-ZKANADHPSA-N 382.204 4.049 0 1 GIAF CCOC(=O)c1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C 587795559 YJVRVTMFAIHSGP-VVVCHXIZSA-N 395.272 4.025 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)OCO3)N1 587833391 GGMFTOOAKWKMNG-MGNBDDOMSA-N 378.241 4.115 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C)c(N)c1 587862323 JZLPYPAHMDJCNV-UHFFFAOYSA-N 375.350 4.157 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 587870807 SDYPFTNITXOQLE-UHFFFAOYSA-N 394.381 4.306 0 1 GIAF CC[C@H](C)NC(=O)c1cccnc1Nc1nc(-c2ccccc2)cc2nccn12 1772598689 WCMNSBPQFQCUSQ-HNNXBMFYSA-N 386.459 4.063 0 1 GIAF CN(C)CCCN=c1[nH]c(/C=C/c2ccc(F)cc2)nc2cc(Cl)ccc12 1857602413 LSJQHYYOYUENNJ-IZZDOVSWSA-N 384.886 4.378 0 1 GIAF CC(C)CN1CCC(N=c2[nH]c3ccccc3n2Cc2ccc(F)cc2)CC1 1857647737 RMBLXFLTAQCIIE-UHFFFAOYSA-N 380.511 4.178 0 1 GIAF COc1ccc(Cl)cc1NC(=O)CN(C(=O)c1ccco1)C1CCCCC1 892343 XCLVQUVXXSTHQO-UHFFFAOYSA-N 390.867 4.355 0 3 GIAF O=C(NCc1ccc(F)cc1Cl)[C@@H]1CC(=O)N(C2CCCCCCC2)C1 2941091 ABUUJUHVCALKDU-OAHLLOKOSA-N 380.891 4.057 0 3 GIAF COc1ccc(NC(=O)[C@H](c2ccccn2)N(C(C)=O)c2ccc(C)cc2)cc1 4903313 IQBPUQKGIAYMCZ-QFIPXVFZSA-N 389.455 4.132 0 3 GIAF O=c1[nH]c(-c2ccc(OCc3ccccc3)cc2)nc2c1cnn2-c1ccccc1 3305978 NLYJFCQYIDPPJY-UHFFFAOYSA-N 394.434 4.355 0 1 GIAF Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3nncc-3c2O)cc1C 103538379 VFWHSFUYNBZCLI-UHFFFAOYSA-N 390.468 4.065 0 1 GIAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1cccnc1 101903671 FBFSJAVVUJTQGO-QFGUUYLXSA-N 386.477 4.122 0 1 GIAF CC(=O)O[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(COC(=O)C3)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 59587882 VMSPIYCFMMEMSY-ABVKIMAUSA-N 378.509 4.025 0 1 GIAF biogenic,in-vitro O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356608742 UFUIABFILCOVIM-CSYHVJCOSA-N 394.511 4.181 0 1 GIAF Cn1nc(C2CCCCC2)cc1[C@@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccco1 2356843839 NPYQLEBYAVPENP-QKNQBKEWSA-N 382.552 4.028 0 1 GIAF O=C(N[C@@H](c1ccc(Cl)c(Cl)c1)C1CNC1)c1ccc2cnccc2c1 72178908 TWAIYMKBHKNSRO-IBGZPJMESA-N 386.282 4.232 0 1 GIAF CCNc1n[nH]c2c(C(F)(F)F)c(NC(=O)N[C@H](C)c3ccccc3)ncc12 210731294 AUNMBZBASIPVDG-SNVBAGLBSA-N 392.385 4.291 0 1 GIAF O=C(Nc1ccc(F)cc1-c1cc(F)c(F)c(F)c1)OCC1CCNCC1 1911573561 PXFVYJJBXFKROG-UHFFFAOYSA-N 382.357 4.458 0 1 GIAF CCOc1cccc(-c2nc(CN[C@H]3CCN(Cc4ccccc4)C3)co2)c1 72186029 XCHJCARXEUDLDF-FQEVSTJZSA-N 377.488 4.104 0 1 GIAF Cc1[nH]ccc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 653690510 OOMGFYHJTDMGCN-UHFFFAOYSA-N 379.803 4.029 0 1 GIAF CCOC(=O)[C@H]1CC[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587595642 LJVLOPSKOGAQRU-OFFWNCNGSA-N 396.439 4.092 0 1 GIAF COc1ccc2c(c1)C[C@@H](c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)CC2 587938490 YQIDQJPJJSLHPZ-VIFPVBQESA-N 382.773 4.258 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1N1CCSCC1)CC2=O 587497015 BJNMBWOCBWGWOJ-TZIWHRDSSA-N 375.534 4.040 0 1 GIAF CCC[C@]1([C@@H](CC)C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807561 LUWZLTDYPPGISS-RRUGBERISA-N 386.305 4.317 0 1 GIAF CC[C@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587703112 FTCZETGYYDWRQR-RMLUDKJBSA-N 382.195 4.249 0 1 GIAF O[C@H]1CC[C@@H](c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 586899930 WUUWYHBCLRQXGA-OCAPTIKFSA-N 379.176 4.243 0 1 GIAF COc1cc2c3c(c1)OC1(C[C@@H]4CCC[C@@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O 587445626 XBVOFPIWUDPLST-ZJOUEHCJSA-N 389.495 4.399 0 1 GIAF CC(C)(C)OC(=O)NCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988961 UPGBHMOSVJWVAF-UHFFFAOYSA-N 376.412 4.177 0 1 GIAF Fc1cc2nc(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)[nH]c2cc1Cl 587118993 URQJDKRPZQZECZ-UHFFFAOYSA-N 385.708 4.274 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ccnc2N(C)C)N1 587692107 JSYSUJWVXRLELC-XXFAHNHDSA-N 398.707 4.326 0 1 GIAF C[C@@H]1COc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587832737 CMHPNOURPYFLLT-CLUVUEOHSA-N 376.269 4.395 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1ccc(C(F)(F)F)n1 587870886 KNNDDJRRPANKRT-NSHDSACASA-N 396.344 4.205 0 1 GIAF O=c1cccc(-c2nc3c(F)cccc3[nH]2)n1CCOc1ccccc1Cl 587063983 HPHBNLYJDJLMKL-UHFFFAOYSA-N 383.810 4.263 0 1 GIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587162735 CYFAHPFRVSUPMR-NRFANRHFSA-N 375.451 4.184 0 1 GIAF CC(=O)Nc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587739562 ASTUXVQGXPHXBX-WYRIXSBYSA-N 391.284 4.479 0 1 GIAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)c(F)c2)c1 587138721 RYCPPAAUYGQIRV-UHFFFAOYSA-N 386.745 4.268 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccco3)CC2)N1 587766237 GIHAQBUFHYEJNE-ZDUSSCGKSA-N 393.300 4.207 0 1 GIAF CNc1cc(Cl)ncc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551771 JLHAFMFCUWKTTL-FXAWDEMLSA-N 382.803 4.185 0 1 GIAF Ic1cccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587035812 UFKBWIIVQPYYDC-GFCCVEGCSA-N 396.253 4.086 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccncc3)CC2)N1 587765876 DSWZKQBRFKXRIM-CYBMUJFWSA-N 390.300 4.013 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 586940197 WXTISSPUYSGWOL-JTQLQIEISA-N 381.860 4.099 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN(C)C)cc2)N1 587741810 PFZWEORJGKAWSA-HXPMCKFVSA-N 377.301 4.273 0 1 GIAF O=C(O)CCc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603745 OWFUDABNQQPABJ-REWPJTCUSA-N 390.391 4.112 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348341 NTXPNZFZKCTOSX-XLHILCRZSA-N 398.430 4.382 0 1 GIAF COCOc1ccccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809145 QVCOKQRTBVTIBO-HXPMCKFVSA-N 394.284 4.369 0 1 GIAF COCCN1C(=O)CC[C@H](c2nc3ccccc3[nH]2)[C@H]1c1ccccc1Cl 587063576 WSAKJIDHAKXFRP-MGPUTAFESA-N 383.879 4.310 0 1 GIAF COc1ccc2c(c1)CCc1cnc(-n3nc4cc3Oc3ccc(F)cc3-4)nc1-2 587874589 FWMAAVDGQWADBJ-UHFFFAOYSA-N 386.386 4.348 0 1 GIAF O=C1CCC(c2ccccc2)(c2nc3c(F)cnc(Br)c3[nH]2)CC1 587971109 TUZKMICPYJLEDV-UHFFFAOYSA-N 388.240 4.289 0 1 GIAF Nc1c(F)c(F)cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1F 587136436 GRYSAXQYSGNRDM-UHFFFAOYSA-N 377.551 4.040 0 1 GIAF Cn1c(Cl)nc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554333 XATRTYAGMQAENA-LRDDRELGSA-N 391.210 4.135 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2=COCC2)(C(F)(F)F)N1 587709338 LBSXKHLJSBIUEG-RTHLEPHNSA-N 380.179 4.184 0 1 GIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C)c(F)cc2[nH]1 587113176 OYHULAHVLQCTIK-SFHVURJKSA-N 379.357 4.429 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ccc1N)CC2=O 587457091 FBQCPMMXADCNKV-KRWDZBQOSA-N 376.250 4.396 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(C(=O)O)=CN(C)c1c(C)cccc12 962941332 DPAZTXIYROYHQF-OYLFLEFRSA-N 387.483 4.063 0 1 GIAF COC(=O)C(=O)C[C@]1(c2ccc(C)cc2)NCCc2cc(-c3ccccc3)ccc21 962657355 AZSGNRZBLSVNRS-AREMUKBSSA-N 399.490 4.184 0 1 GIAF COc1cccc(C[C@@]2(CO)CCCN(Cc3ccc4ccccc4n3)C2)c1 11668179 PUFXIWHKZCRJRG-DEOSSOPVSA-N 376.500 4.061 0 1 GIAF CN(C(=O)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21)c1ccccc1 13455302 VWMLIPRIVKIQAE-LSDHHAIUSA-N 394.258 4.149 0 1 GIAF Cc1ncc(CN2CCC[C@@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)s1 13596411 XACGZMYUNRJKIC-HNNXBMFYSA-N 393.503 4.038 0 3 GIAF O=C(Nc1ccc(F)cc1)OCc1cn(Cc2ccccc2C(F)(F)F)nn1 203462599 ZDPZGFKCQMVEBT-UHFFFAOYSA-N 394.328 4.233 0 3 GIAF C[C@@H](CC(C)(C)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1ccncc1 207399379 MPGISAUDRMGDDI-HNNXBMFYSA-N 394.519 4.240 0 1 GIAF O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(Cc2ncccc2O)C1 1857589728 JFLWOEZJLXVDDJ-HXUWFJFHSA-N 387.483 4.305 0 1 GIAF CC(=O)N[C@@H](C)/C=C/c1nnc(Oc2ccc(OCC3CC3)cc2Cl)s1 1857643511 WJNLRKUFDAZPIR-AEBAWRHJSA-N 393.896 4.310 0 1 GIAF Cc1ccccc1C1=NN(C(=O)Cc2ccccc2Cl)[C@@](O)(C(F)(F)F)C1 1857751982 ICMMEXRCHARUOS-SFHVURJKSA-N 396.796 4.078 0 1 GIAF COc1ccc(NC(=O)Cc2c(C(=O)O)[nH]c3ccc(Cl)cc23)cc1Cl 4920244 AWGJQZZSNAIXPV-UHFFFAOYSA-N 393.226 4.363 0 1 GIAF Cc1ccc2c(COc3ccc(I)cc3)cc(=O)oc2c1 103264154 ZYZRHFYFUASNLW-UHFFFAOYSA-N 392.192 4.285 0 1 GIAF CC(=O)Nc1ccc([C@H]2C[C@H]3CC[C@H](CCc4ccccc4)N3C(=N)N2)cc1 103262092 HJRDRSONZMYDCA-BHDDXSALSA-N 376.504 4.080 0 1 GIAF O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCc3cccc(Cl)c31)CC2 28886309 LUTRYIHVLIPQAF-HXUWFJFHSA-N 395.934 4.146 0 1 GIAF CCn1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)c2cccc(C)c21 28465771 UMDLJLYTWHRZGI-UHFFFAOYSA-N 375.516 4.448 0 1 GIAF COc1ccc(NC(=O)[C@@]2(C)CCN2Cc2ccc(SC)cc2)cc1OC 61902494 SRZQSHYHNBIFAK-OAQYLSRUSA-N 386.517 4.029 0 3 GIAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)CCC3=C([C@]4(C)CCCC(C)(C)C4)CC[C@@H]1[C@@H]32 2356805431 VILIFGZHAXVZTP-IOEFZWJXSA-N 376.493 4.498 0 1 GIAF CCCc1nc2c(NCc3ccccc3C)ncnc2n1CC[C@H]1CCCN1C 82180483 KGKDSVMHJBALAA-LJQANCHMSA-N 392.551 4.184 0 1 GIAF Cc1nonc1C(=O)Nc1cccc2c1cnn2-c1ccc(C(C)(C)C)cc1 45246076 CSYNONRKENQQDL-UHFFFAOYSA-N 375.432 4.267 0 1 GIAF Nc1c(C(=O)O)c(-c2ccncc2)nn1-c1c(Cl)cc(Cl)cc1Cl 84632132 ZZRPBQTWUXGZKR-UHFFFAOYSA-N 383.622 4.175 0 1 GIAF CC[C@H](C)[C@H](Nc1nc(-c2cccc(C)c2)cs1)C(=O)NCCCOC 82195261 JQGMQLAVAJOKSL-YJBOKZPZSA-N 375.538 4.098 0 1 GIAF CCCCCCSc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1 40936211 YUKPWAFADORZIM-UHFFFAOYSA-N 378.527 4.089 0 1 GIAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc3c2ccn3-c2ccccc2)nc1 144081574 RXHQKJTUSYLGFC-KRWDZBQOSA-N 385.467 4.112 0 1 GIAF CC(=O)NCCn1c(C2CCCCC2)nc2c(NC3CCCCCC3)ncnc21 82190709 KMGICZAHGXQXCC-UHFFFAOYSA-N 398.555 4.145 0 1 GIAF Cc1sc(NC(=O)C2=C(C(=O)O)CCC2)c(-c2nc(C3CC3)ns2)c1C 147061147 AUWJHYHPBZTZEB-UHFFFAOYSA-N 389.502 4.264 0 1 GIAF COc1ccc(COc2cc(C3=NN(C(C)C)C(=O)C3(C)C)ccc2OC)cc1 95557654 WCHMRSWODZYIHF-UHFFFAOYSA-N 396.487 4.264 0 1 GIAF c1cc2cc(-c3ccc4oc(C5=NCCCN5)cc4c3)[nH]c2cc1C1=NCCCN1 143822281 VRKJACIDLSRQEM-UHFFFAOYSA-N 397.482 4.061 0 1 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@@H](OC(=O)C=C(C)C)CC[C@H](C)[C@@]12C 238767190 FKWPXFLCFKOLLW-LEEVAYTHSA-N 388.460 4.319 0 1 GIAF COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)c1c(C)[nH]c3ccccc13)CC2 34798956 WWGKRJJALJMHDL-OAHLLOKOSA-N 378.472 4.296 0 1 GIAF biogenic C[C@@H](CN1C(=O)c2ccccc2[C@H]1C(=O)NCC(F)F)c1ccc(Cl)cc1 653724619 PYWJHYZHNABKNX-SGTLLEGYSA-N 392.833 4.022 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(Cl)cnc2Cl)N1 587707457 VXFZFVBIABUDRG-SREIQFSDSA-N 391.071 4.309 0 1 GIAF COC(=O)c1cc2nc(CC(C)(C)CC(=O)O)[nH]c2c(F)c1Nc1ccccc1 587956151 VZKHLFBMQYQKSF-UHFFFAOYSA-N 399.422 4.276 0 1 GIAF CCCC[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347781 MRZYTJLRSLOQDU-DENIHFKCSA-N 386.419 4.382 0 1 GIAF CC1CCN(S(=O)(=O)c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)CC1 587217706 YDHRXNBFJWHYMW-UHFFFAOYSA-N 392.524 4.421 0 1 GIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc4cn[nH]c4cc3[nH]2)cs1 587019394 KWJMILJOHYXKEK-UHFFFAOYSA-N 389.444 4.131 0 1 GIAF CC(=O)COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587797835 XQCLWNWPUZRUOJ-WYRIXSBYSA-N 392.268 4.180 0 1 GIAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(F)ccc2[nH]1 587181491 SJOIPBHMPFAHRQ-QMMMGPOBSA-N 384.196 4.141 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](CC(=O)O)c2cc(OC)ccc21 587483028 UCRDJNCUHCZUTE-NPMABZOXSA-N 396.439 4.176 0 1 GIAF OCc1cccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 586894794 DEXGBABLBWJXEF-UHFFFAOYSA-N 382.055 4.247 0 1 GIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cnc3ccccc3c2[nH]1 586972241 FUNMNOHXCISJSI-IBGZPJMESA-N 376.485 4.222 0 1 GIAF Cc1ccc2nc(C)c(Cc3cc4c(O)nc(O)nc4nc3C)c(Cl)c2c1 587368177 DAHNPJPKLIVYDP-UHFFFAOYSA-N 380.835 4.154 0 1 GIAF Oc1cccc([C@@H](O)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 586889885 HYVDKFHFVQDLBU-CYBMUJFWSA-N 387.155 4.132 0 1 GIAF COc1nccc(Cl)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587696274 SVDYHZPAWRAVMM-ANRSDYALSA-N 385.664 4.269 0 1 GIAF C[C@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)c1ccccc1C(F)(F)F 587098705 SNYGVVYZSRNAIF-AWEZNQCLSA-N 388.437 4.485 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1cccnc1Cl)CC2=O 587460144 GTRWWWXIFXRHJJ-FQEVSTJZSA-N 388.851 4.146 0 1 GIAF COc1ccc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587622602 DIYZCWSVPOBEBP-UHFFFAOYSA-N 399.248 4.376 0 1 GIAF C[C@@]1(c2ccsc2C(=O)O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962722126 YVKPHAXJLOFHQN-BLVKFPJESA-N 377.506 4.213 0 1 GIAF C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3[nH]c(SC)nc3C)ccn2)c1 1772571844 HGVKJLDGONBKCS-UHFFFAOYSA-N 395.488 4.379 0 1 GIAF COc1ccc([C@@H]2[C@@H]3C=CC=C[C@H]3C(=O)N2c2ccc3nc[nH]c3c2)cc1F 1772654577 WGJVCYNPCKHATC-WHSLLNHNSA-N 375.403 4.157 0 1 GIAF O=C(OCC12CCN(CC1)CC2)c1c[nH]c2cc(Cl)cc(Br)c12 1772604594 JJRIZGWGCHCNHJ-UHFFFAOYSA-N 397.700 4.227 0 1 GIAF CCOCC1=Cc2ccc(OC)cc2O[C@H]1c1cc(OC)c(OC)c(OC)c1 13553835 UQPKBLPKCLXGHZ-NRFANRHFSA-N 386.444 4.275 0 1 GIAF COc1cccc(-n2c(C(=O)NC3CCN(C(C)C)CC3)cc3ccccc32)c1 14959732 BVSIBCJUGIVAKQ-UHFFFAOYSA-N 391.515 4.242 0 1 GIAF C[C@H](NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)c1ccc(C(=O)O)cc1 168534894 TUFAAIQZJVNIDX-LBPRGKRZSA-N 398.365 4.341 0 1 GIAF CC1CCN(c2c(S(=O)(=O)c3ccccc3)cnc3c(F)cccc23)CC1 201539351 NCRYQTMAOPISBH-UHFFFAOYSA-N 384.476 4.443 0 1 GIAF O=C(C[C@H](c1ccccc1)c1ccccc1F)NCc1ccc2nc(O)[nH]c2c1 1857594957 OBXDMCLXMBRBIH-GOSISDBHSA-N 389.430 4.246 0 1 GIAF O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1nc2cc(Cl)ccc2s1 1857748290 FAUYCNZWFQULQB-UHFFFAOYSA-N 391.855 4.178 0 1 GIAF Cc1cc(=O)c(Oc2ccc(Cl)cc2)c(-c2ccc(S(C)(=O)=O)cc2)o1 588142 OOUGHHLGZCZGEE-UHFFFAOYSA-N 390.844 4.464 0 1 GIAF CC(C)(C)C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(F)cc1 2908864 RQZSGEAKTHELEJ-UHFFFAOYSA-N 376.478 4.294 0 1 GIAF CCN1c2ncc(COc3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21 6385141 LOWZYNIZJZKVGV-UHFFFAOYSA-N 394.862 4.457 0 1 GIAF NC1=N[C@@H](c2cccc(Oc3ccccc3)c2)N(c2ccc(Cl)cc2)C(N)=N1 13559312 YDXKQVGSUIURRL-LJQANCHMSA-N 391.862 4.281 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=C[C@@H](O)[C@@]21C 33820940 MHMJDFLOHGJHIJ-JWBKYCAUSA-N 388.548 4.318 0 1 GIAF COc1cccc(OC)c1CNCc1coc(-c2ccc(OC(C)C)cc2)n1 72184455 AAMIVONBXNNITP-UHFFFAOYSA-N 382.460 4.436 0 1 GIAF CC(C)Cc1nc2c(NCCCc3ccccc3)ncnc2n1C[C@@H]1CCCO1 82179974 YQMIYWBRHAUBAP-IBGZPJMESA-N 393.535 4.249 0 1 GIAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(F)c(Cl)c3)CC2)c1 95569208 DWSRHPLJCIPNKB-UHFFFAOYSA-N 378.904 4.010 0 1 GIAF COc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)C[C@H](C(=O)O)CC1 95583376 CMAOWOOZIHRSRO-CYBMUJFWSA-N 383.831 4.181 0 1 GIAF Cn1c2c(c3ccccc31)Cc1c(CO)c(CO)c(-c3ccc(Cl)cc3)n1C2 95587686 MBEKYFVFYCHUQD-UHFFFAOYSA-N 392.886 4.237 0 1 GIAF CC(=O)c1cc(CC(C)C)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O 103263467 GPJUAPLPAJADAW-UHFFFAOYSA-N 388.512 4.223 0 1 GIAF CCCN1C(=O)c2ccccc2[C@]1(O[C@H]1C=C[C@@H](O)C1)c1ccc(Cl)cc1 141032348 UKOWWJNJFHTXLI-KGVIQGDOSA-N 383.875 4.113 0 1 GIAF O=C(Cc1c(Cl)ccc(C(F)(F)F)c1Cl)N[C@H]1COc2ncccc21 145057852 MPCDYUQZDFKMCE-LBPRGKRZSA-N 391.176 4.200 0 1 GIAF C=C(Br)C(=O)Nc1cccc(/C=C/C(=O)Nc2cccc(F)c2)c1 169348571 CIRHQDQJJRLHCC-CMDGGOBGSA-N 389.224 4.325 0 1 GIAF CO[C@@H]1C[C@H](CC[C@@]2(C)[C@H](C)[C@H](O)C[C@@]3(C)C(COC(C)=O)=CCC[C@@H]32)CO1 238751869 ZDDVYTWRCWFGSQ-USMBNCDMSA-N 394.552 4.088 0 1 GIAF biogenic COc1cc(CNCC(=O)c2ccccc2)ccc1OCc1ccc(Cl)nc1 299837601 RUPRALCLNWCHLY-UHFFFAOYSA-N 396.874 4.295 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(C)=O)cc3[nH]2)cc1 587044295 ZBPXPBITSLQGPX-LJQANCHMSA-N 395.484 4.052 0 1 GIAF O=C1c2ccccc2-c2cc(CN3C(=O)c4ccccc4C3=O)nc3cccc1c23 587105148 QGPWEDOPRKCSHA-UHFFFAOYSA-N 390.398 4.242 0 1 GIAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)ccc2F)cc1 587139474 KULOIHPMJQMGTA-UHFFFAOYSA-N 398.401 4.214 0 1 GIAF O=C(COc1ccccc1-c1nc2ccc(O)cc2[nH]1)Nc1ccccc1F 587154463 PJTPQIPLVPYDJV-UHFFFAOYSA-N 377.375 4.092 0 1 GIAF C[C@]1(c2nc3cc(F)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174724 RSLBEJXJKDLXTD-QGZVFWFLSA-N 393.187 4.232 0 1 GIAF O=C(N[C@H](c1ccccc1)c1nc2c(F)cnc(Cl)c2[nH]1)c1ccccc1 587221117 TZRHIBMDDYKPPI-OAHLLOKOSA-N 380.810 4.270 0 1 GIAF O=C(O)CC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351702 KTKPMLFYNUFBOG-OQKBFEOFSA-N 384.403 4.294 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1c(F)cc(Br)cc1F)[C@@H](C2)C3=O 587423970 MHCMYSCTWASVPO-VOJFVSQTSA-N 395.199 4.399 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](C(=O)c1ccc(Br)cc1)CC2=O 587458912 VCVMTIMYMWZQSM-KRWDZBQOSA-N 389.245 4.324 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)CC)cc1)CC2=O 587486158 LMFDFKXEQQACGT-NRFANRHFSA-N 388.485 4.019 0 1 GIAF Cc1ccc(S(=O)(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532959 RHKJQOSCBOIHIB-QFIPXVFZSA-N 384.497 4.072 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-n1cccn1 587583752 XLBZNWNUAFIJMN-OFNKIYASSA-N 384.391 4.281 0 1 GIAF COc1c(F)ccc(F)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587720517 NDTONWGGBFZEQZ-VPTHRUTESA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C(F)(F)F)nc2)N1 587723034 UVCGZURXHVBLPQ-UHLUBPPHSA-N 390.178 4.021 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccccc2)N1 587738783 CVHJDPXHXCXXGG-WRBHFMKESA-N 389.312 4.441 0 1 GIAF Cc1cc(-n2cccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)no1 587757014 UCUBENQVPJUYCF-MGNBDDOMSA-N 390.256 4.299 0 1 GIAF CCOC(=O)C1(C)CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587795385 IQULGOWKNFQPPL-RMEHTXHKSA-N 398.316 4.461 0 1 GIAF Cc1cccc2c1NCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587799509 XKJYIKRQVAERAY-BUXKBTBVSA-N 375.285 4.490 0 1 GIAF CC(C)[C@]1(c2nccn2C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644884 XTOGHLARIMQRBT-RCZVLFRGSA-N 386.543 4.067 0 1 GIAF Cc1ccccc1C1=NN(C(=O)Cc2cccc(Cl)c2)[C@](O)(C(F)(F)F)C1 1857751500 XOSXMPUZLBCRIU-GOSISDBHSA-N 396.796 4.078 0 1 GIAF CN(c1nc(Nc2ccc(C(N)=O)cc2)ncc1C(F)(F)F)C1CCCCC1 1911578042 XAEFLPQOZOBPDN-UHFFFAOYSA-N 393.413 4.107 0 1 GIAF CC1=C[C@H](CN(C)CCO)[C@@H](C(C)C)C[C@@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356316650 FAUZOWFXSCBIKF-YPAWHYETSA-N 397.563 4.366 0 1 GIAF CN(C)c1cccc(/C=C2\C[C@@]3(OC(=O)c4cccc(F)c4)CCCN2C3)c1 96018830 IRBNXVSZTXXCLH-RQLGBQGVSA-N 380.463 4.328 0 3 GIAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@H]2O)c1 775593 WHVRMCSYDKQLNB-IAGOWNOFSA-N 386.492 4.071 0 1 GIAF Cc1ccc(C(=O)Oc2ccccc2N2C(=O)[C@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 102071008 BIVKITRJRSZAIZ-BPQIPLTHSA-N 377.440 4.140 0 1 GIAF CCN(CC)[P@](N)(=O)O[C@H](C[C@@H]1NC(C)(C)C[C@@H](C)O1)c1ccccc1 26823628 YTSDEBSCKWKCGY-XXXQYOIWSA-N 383.473 4.046 0 1 GIAF COc1ccc([C@@H]2c3ccccc3C(=O)N2c2ccc3[nH]cnc3c2)cc1OC 116194188 ICKMOIBSQQCIKY-JOCHJYFZSA-N 385.423 4.330 0 1 GIAF CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@H](CO)c1ccccc1 28956327 VTCADMPFZDCETP-LJQANCHMSA-N 378.476 4.243 0 1 GIAF Clc1ccc([C@@]2(Cn3cncn3)OCO[C@@H]2c2ccccc2)c(Cl)c1 26005648 DAOICZTYCANZPF-QZTJIDSGSA-N 376.243 4.226 0 1 GIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccccn1 26578975 QHYDNYDBCGHTJQ-ODUYVQIQSA-N 392.455 4.420 0 1 GIAF CC(=O)O[C@@H]1CCN([C@@H]2CCCC[C@H]2OCCc2cccc3ccccc23)C1 34096913 CAIVRDJURSBDII-GMKZXUHWSA-N 381.516 4.348 0 1 GIAF COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c(CC=C(C)C)c1O 14763021 KICUOVOMFAGNLF-UHFFFAOYSA-N 380.396 4.412 0 1 GIAF biogenic COc1cc(O)c(C(=O)CCc2ccccc2)c(O)c1Cc1ccccc1O 14811034 JTSWCJCEJKEHGN-UHFFFAOYSA-N 378.424 4.218 0 1 GIAF biogenic Cc1cccc(-n2ncc3c2CCC[C@@H]3NC(=O)c2noc3c2CCCC3)c1C 1911573779 KWESJWBFVAWPJT-SFHVURJKSA-N 390.487 4.163 0 1 GIAF O=C(NCC1CC1)C1CCN([C@@H](c2ccccc2)c2cc(F)cc(F)c2)CC1 45303193 SMFUERLHGJOQFM-QFIPXVFZSA-N 384.470 4.292 0 1 GIAF COc1ccc(-c2cc(NC[C@@H](C)c3ccccc3)ncn2)c(OC)c1OC 82160398 IEZRLHVRIQTRBN-OAHLLOKOSA-N 379.460 4.385 0 1 GIAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1[nH]nc(C)c1Cl 142764457 PKRFWJVRAAYPDD-UHFFFAOYSA-N 390.874 4.458 0 1 GIAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)c2n1CSC2)c1ccccc1 146077048 VMDCIKLYOZCYAW-MAUKXSAKSA-N 397.544 4.198 0 1 GIAF O=C(O)CCCCCCOc1cc(O)cc2oc(-c3ccc(O)cc3)cc(=O)c12 473107215 IEZHSNOCNBYVRL-UHFFFAOYSA-N 398.411 4.285 0 1 GIAF CC(=O)Oc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587807503 DDCSWEXFSANBOS-NSPYISDASA-N 392.268 4.311 0 1 GIAF Cc1ccc([C@@]2(COCC(F)(F)F)CC(=O)c3cc(C)cc(N)c3O2)cc1 587380206 CMWDOMHRQBLLOE-IBGZPJMESA-N 379.378 4.325 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2cccc(C=O)c2)N1 587796781 VGGWIWBCVSHZLP-HXPMCKFVSA-N 392.268 4.229 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(C)cc1 587207417 SVZAKAWZYMVMLW-HNNXBMFYSA-N 379.357 4.449 0 1 GIAF Brc1cnc2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 587005949 BIZXBKVTGXGMRB-UHFFFAOYSA-N 392.054 4.403 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586888627 WYDQATXYVAVDJQ-AUUYWEPGSA-N 383.245 4.395 0 1 GIAF N[C@@H](N=O)c1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587162139 DAMSEZRCIKFYKA-IBGZPJMESA-N 389.390 4.345 0 1 GIAF COc1ccc(C2(c3nc4ccc(S(=O)(=O)O)cc4[nH]3)CC3(CCC3)C2)cc1 587934827 FUNVQSNSHSHFCI-UHFFFAOYSA-N 398.484 4.068 0 1 GIAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F 587717461 GBYJOAXFOOAYDZ-CQLKUDPESA-N 386.211 4.499 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2C1 587518229 CVOWXWUCGFCWMT-KBVWPGPTSA-N 397.515 4.402 0 1 GIAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O 586989746 DQFKCABJMXIVID-OZAJXLCCSA-N 385.419 4.391 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(O)cc1O)CC2=O 587455560 CTMPGUBWWCMJNT-QGZVFWFLSA-N 393.233 4.225 0 1 GIAF Brc1n[nH]c2ccc(-c3nc4c(Br)ccnc4[nH]3)cc12 587007264 PGJVBOWLPBNRGV-UHFFFAOYSA-N 393.042 4.026 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-n1ccnc1 587578043 PVKQYSVZUVUICY-NFBKMPQASA-N 384.391 4.281 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@H]3C[C@H]3c3cccc(F)c3F)nc-2[nH]1 587152448 NLKAREBZNVVGNL-KBPBESRZSA-N 393.397 4.172 0 1 GIAF C/C=C\CC[C@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587808168 NNGRNWYKRMNCLA-AEXBRQSZSA-N 384.289 4.237 0 1 GIAF O=C(c1ccc2c(c1)CCC2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661410 YYFNRZISESSSGR-UHFFFAOYSA-N 384.410 4.380 0 1 GIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(c1ccncc1)C1C[C@@H]2CC[C@H](C1)N2 963112633 QERGKFYOYUVAQO-KABJAQKWSA-N 377.507 4.015 0 1 GIAF O=C(O)[C@]1(c2cc(Cl)ccc2Cl)c2c(F)cccc2C[C@H]2CCCN21 963098708 JAWBUFMJZDWYPD-YJYMSZOUSA-N 380.246 4.481 0 1 GIAF O=C(c1ccco1)[C@]1(c2ccco2)NC2(CC2)Cc2ccc(Br)cc21 961752289 VJESCCAGYQTYLJ-FQEVSTJZSA-N 398.256 4.440 0 1 GIAF COC(=O)c1ccc([C@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@H]23)cc1 5065055 VLCQZNCIDLUVOZ-WTNXQADQSA-N 377.440 4.468 0 1 GIAF CC(C)=CCC[C@@H](C)CN1CCC(N2CCC(C(=O)NC(C)C)CC2)CC1 12836972 COMXGQHGPGMKFD-HXUWFJFHSA-N 377.617 4.070 0 3 GIAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)C(F)(F)CC/C=C/C[C@@H]21 169290096 JDUYYVZXUCCOCQ-BXRHZCMWSA-N 386.479 4.158 0 1 GIAF CCCCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\CCCC(=O)NCC(=O)O 169622522 IEDOAPXQRUEANC-DJNHXDDZSA-N 377.525 4.304 0 1 GIAF CC[C@H](C)Oc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1 169709208 RANMHCSIPZBWLI-PNLZDCPESA-N 397.519 4.114 0 1 GIAF COc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c2ncccc2c1 205634373 FKXUNHBWSTWQHR-UHFFFAOYSA-N 383.256 4.351 0 1 GIAF Cc1ccc(NC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)nc1 1857763764 DOMTXIQCMFODRL-UHFFFAOYSA-N 391.381 4.121 0 1 GIAF CC(=O)Nc1cccc2c1C(=O)c1c(-c3ccc(N4CCCCC4)cc3)n[nH]c1-2 13492157 JKWXTLCPNJPXPV-UHFFFAOYSA-N 386.455 4.237 0 1 GIAF COc1ccccc1Cn1c(SCC(=O)C(C)(C)C)nc2ccccc2c1=O 2969970 GJXCDWIGKRDXOC-UHFFFAOYSA-N 396.512 4.161 0 1 GIAF Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2ccoc2)c2cccnc12 6717761 LNFQSWPCVAVJTI-UHFFFAOYSA-N 388.358 4.375 0 1 GIAF Cc1ccccc1[S@](=O)Cc1ccc(C(=O)N2CCc3ccccc3C2)o1 6772146 NSSFEIOVSINQMC-MHZLTWQESA-N 379.481 4.094 0 1 GIAF COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)cc1 103962068 XOVBHFUSRUBIDH-CQSZACIVSA-N 383.473 4.330 0 1 GIAF COP(=O)(OC)[C@H](OC(=O)COc1cccc(C)c1C)c1ccccc1 103215542 ARGWLNZTLLBKHJ-IBGZPJMESA-N 378.361 4.410 0 1 GIAF CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC/C=C(/F)CCC(=O)OC 29570407 JSPJXWJMYDOTQN-QUZLMLTJSA-N 398.515 4.027 0 1 GIAF COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@@](C)(/C=C/c1ccccc1)N2 28529382 FOEGPJQZDBTZHI-CZQLGGELSA-N 375.428 4.277 0 1 GIAF CC[C@H](C)C[C@H](C)[C@H](O)[C@H](C)C=C(C)[C@@H](O)[C@@H](C)c1cc(O)c(C)c(=O)o1 2356521029 HKDIFJFYZMZJPA-JBEOEGFRSA-N 380.525 4.134 0 1 GIAF Cc1nc([C@H]2CCCNC2)cc(N(C)Cc2csc(-c3cccs3)n2)n1 39364396 ZDWPSKXAGMTYNU-AWEZNQCLSA-N 385.562 4.073 0 1 GIAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1C[C@@H](F)CN1C(=O)c1cnccn1 72176629 MBZPPLOZGLHLMF-OXQOHEQNSA-N 396.853 4.426 0 1 GIAF CC(=O)c1ccc(N2CCN(Cc3coc(-c4ccccc4C)n3)CC2)cc1 72185271 OZZSYNBVRVHLNC-UHFFFAOYSA-N 375.472 4.175 0 1 GIAF CCc1ccc(-c2nc(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)s2)cc1 84669664 WDYVYJRPGAPDMA-UHFFFAOYSA-N 398.484 4.212 0 1 GIAF CCN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1cccc(C)c1 82147416 ZZGCMOMOUOZQDE-UHFFFAOYSA-N 392.478 4.338 0 1 GIAF COC(=O)c1ccc(CC[C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 45167926 FXTLIXUHQIPSDM-KUHUBIRLSA-N 395.421 4.136 0 1 GIAF COc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccco3)n2)cc1 82166373 PGJNXKVJALZMKZ-UHFFFAOYSA-N 376.416 4.363 0 1 GIAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1O[C@H]1C[C@H]2CC[C@H]1C2 224199727 REFSPUPAKCCVAD-MKBNYLNASA-N 392.377 4.213 0 1 GIAF CCCCOc1c(C(=O)N(CC)CC)c2nnc(C(C)C)n2c2ncccc12 40897960 QMBAYHALMZQIJQ-UHFFFAOYSA-N 383.496 4.062 0 1 GIAF Cc1cc(-c2nccnc2O[C@H]2C[C@H](Nc3nc4ccccc4s3)C2)ccn1 146123660 MXJNCPPZUJQWON-IYBDPMFKSA-N 389.484 4.479 0 1 GIAF CC(C)COc1cccc(OCc2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 587565700 IKZRYSBRVXABQW-UHFFFAOYSA-N 395.503 4.009 0 1 GIAF COc1cccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1O 587786883 NPMKACIRJFWQDY-UHFFFAOYSA-N 398.054 4.469 0 1 GIAF O=C(c1cc2c(s1)CCCC2)c1c(CO)oc2cc(Br)cnc12 587275507 BBNSTDNGOPXDDZ-UHFFFAOYSA-N 392.274 4.254 0 1 GIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587070756 WMIPHTHFMYISJS-OAHLLOKOSA-N 396.922 4.345 0 1 GIAF COc1ccc(Br)c2c1[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 587372790 RGUAWMDOVROKDH-IBGZPJMESA-N 388.261 4.155 0 1 GIAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1Br 587412959 KUGVWLXVQHHBNT-YJYMSZOUSA-N 389.245 4.345 0 1 GIAF CC(C)Oc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1Br 587135755 CXOQLGVSZJIXRM-UHFFFAOYSA-N 379.233 4.083 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OC)cc1F)[C@@H](C2)C3=O 587424841 WBLQOYQFSLYICY-BBATYDOGSA-N 393.208 4.094 0 1 GIAF COc1cc(F)cc(F)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587723326 WYJCMEKOTRWOIW-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CCC[C@H]2CC(C(=O)O)C1 587825974 IZKAVWDPLYDQOL-QEHPBXTJSA-N 396.300 4.229 0 1 GIAF COc1ccc2c(c1)C[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601058 QGLPERNCSZMQRY-QPPBQGQZSA-N 388.419 4.290 0 1 GIAF CC(=O)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546054 HWDGIFXDKOIREF-DENIHFKCSA-N 394.810 4.492 0 1 GIAF CC(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587812182 ITBZRRAATOGWPP-CWTRNNRKSA-N 376.269 4.345 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C1)O2 587401686 WLCFPPRMZZOGRW-FCHUYYIVSA-N 386.492 4.092 0 1 GIAF COC(=O)[C@@H]1CCC[C@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587804788 FPOUSTJVSHEOCW-VNBZBWLYSA-N 384.289 4.071 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)c(O)cc12 587574138 ZCPBTRLWAKQOJH-UGKGYDQZSA-N 378.355 4.040 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2[C@H]1CCOC1 587619678 YOBVIJHQSKDYLS-OFNACDPKSA-N 380.440 4.319 0 1 GIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587109930 XIWNHZAZDIEULR-UHFFFAOYSA-N 386.232 4.268 0 1 GIAF Cc1ncsc1-c1c[nH]cc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587028309 QGRCYIARQFFKDC-UHFFFAOYSA-N 384.774 4.404 0 1 GIAF COc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cc1F 587019815 WXYGUVRZYCZEGA-UHFFFAOYSA-N 378.429 4.105 0 1 GIAF CC(C)(SCC(=O)O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586960207 VEGBNIXIYRMTKA-UHFFFAOYSA-N 397.216 4.397 0 1 GIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12CCCn1nccc12 961751095 QXNSDXIAGROEDA-QHCPKHFHSA-N 394.519 4.072 0 1 GIAF CCOC(=O)CC[C@@]1(c2ccncc2)c2ccsc2CCN1Cc1ccco1 962713932 XMRINRPUZVUCND-JOCHJYFZSA-N 396.512 4.381 0 1 GIAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1nc2ccccc2s1 963197090 XYUFCIQSHWRVER-HXUWFJFHSA-N 396.512 4.054 0 1 GIAF Nc1ncc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1 14974117 HEWLFIQAUUHYHC-UHFFFAOYSA-N 383.333 4.480 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@]12C 169714080 YVZMTHUNKWMORW-GXESYUSNSA-N 386.580 4.373 0 1 GIAF COc1ccc(C2=NN(c3nc(O)cs3)[C@@H](c3ccc(OC)cc3)C2)cc1 169726260 LIGRRTJJPFSAPD-GOSISDBHSA-N 381.457 4.222 0 1 GIAF O=C(CNCC1(O)CCCCCC1)N1CCc2ccccc2[C@@H]1C1CCCCC1 201387318 DORAMNHWIAOYOT-DEOSSOPVSA-N 398.591 4.368 0 1 GIAF Cc1ccc(-n2nccc2-c2ccc3nnn(-c4ccc5c[nH]nc5c4)c3c2)cc1 1857573960 YHPZMJNSIKYRBW-UHFFFAOYSA-N 391.438 4.458 0 1 GIAF Nc1c(NC(=O)OC2CC2)ccc(NCc2ccc(C(F)(F)F)nc2)c1F 1857598697 JLYIVYBFPIUTEX-UHFFFAOYSA-N 384.333 4.145 0 1 GIAF CCCCn1c(=O)c([C@H]2CNC(=O)c3ccccc3N2)cc2ccc(Cl)cc21 1857749189 ICAOLFYCCQNGGQ-LJQANCHMSA-N 395.890 4.352 0 1 GIAF COc1ccc(-c2cc(NC(=O)Cc3ccc4ccccc4c3)n[nH]2)cc1OC 1488848 MWDDVVWQCWTAJY-UHFFFAOYSA-N 387.439 4.428 0 1 GIAF CO[C@H]1C[C@H](O)C[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1 3782469 ZZEABFFKPGYSDC-CEXWTWQISA-N 396.512 4.348 0 1 GIAF C[C@H]1CCC[C@H](NC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2cccs2)[C@@H]1C 4894187 GBUAIQSYTFUVOO-VZJWBNGJSA-N 382.529 4.386 0 1 GIAF CCn1c(SCC(=O)N(C)c2ccccc2)nc2c3ccccc3nc-2c1O 101803684 JLNZMQDACINAKL-UHFFFAOYSA-N 392.484 4.017 0 1 GIAF Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)C[C@H]3CC[C@H]5N3)c(=O)c2)cn1 113221817 LJHHXJOXVGZINW-WIYYLYMNSA-N 396.494 4.049 0 1 GIAF COC(=O)C1=C(C)CC2=C(C(=O)OC2)[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 28116954 WMQUFXJLJGXXJD-AWEZNQCLSA-N 386.753 4.189 0 1 GIAF in-vitro O=C(O)Cc1cccc2c1O[C@@H](c1ccccc1)[C@H](C(=O)c1ccccc1)C2=O 102984949 YELWIFSXUUARFF-YKSBVNFPSA-N 386.403 4.129 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 33820829 VZLIYFATFXNWOI-LAEXRQGVSA-N 392.580 4.480 0 1 GIAF CCOc1ccccc1-c1nc(CN[C@@H]2CCN(Cc3ccccc3)C2)co1 72103014 TZDVAAAXKVVOTN-LJQANCHMSA-N 377.488 4.104 0 1 GIAF O=C(O)C1=CCCN([C@H]2CC[C@]3(Cc4cc(F)ccc4Cc4ccccc43)C2)C1 43202671 PXJLHYOGLFJGQN-DHLKQENFSA-N 391.486 4.480 0 1 GIAF NC(=O)CC[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 49018244 NDVUCAXUMZGNKP-OAQYLSRUSA-N 385.895 4.171 0 1 GIAF Cc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 84758030 WPGWJDQGLFQPSF-UHFFFAOYSA-N 387.531 4.474 0 1 GIAF C[C@H](Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1)c1nc2cc[nH]c2cc1F 144710014 HISDSBBMGJUNCI-JTQLQIEISA-N 378.415 4.009 0 1 GIAF CC[C@@H](C)C(=O)c1c(O)c(C)c(O)c2c1O[C@@](C)(CCC=C(C)C)[C@H](O)C2 238741923 CNFWCPMUKRVISB-XNVILDLWSA-N 376.493 4.436 0 1 GIAF CCOC(=O)NCc1nc(-c2nc(C)cs2)c(-c2ccc3ncsc3c2)[nH]1 95562927 SFDHKMZDJOJGFW-UHFFFAOYSA-N 399.501 4.364 0 1 GIAF CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2noc(O)n2)=N1 95605836 XREOSEVJCQGCHE-KRWDZBQOSA-N 396.878 4.084 0 1 GIAF in-vitro COc1ccc([C@H](O)Cn2c(=N)n(Cc3ccc(C)cc3)c3ccccc32)cc1 473090087 VBWKAQCFEFJORZ-HSZRJFAPSA-N 387.483 4.021 0 1 GIAF N[C@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@@H]1c1ccccc1F 587153891 BDHDODJLPLGXCS-RFAUZJTJSA-N 386.299 4.093 0 1 GIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@@H]3Cc4cc(Cl)ccc4O3)nc1-2 587080604 NSSHAFPUFUSMNL-QMMMGPOBSA-N 375.137 4.306 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(C)nn(C)c3nc1Cl)CC2=O 587460840 KIBSDHILIDMSCP-QGZVFWFLSA-N 385.851 4.295 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(Cl)nc32)N1 587706902 SKYVICNTPTWZIJ-XLFHBGCDSA-N 381.676 4.361 0 1 GIAF COc1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c1 587154943 VWMVUOSWAIAMNK-UHFFFAOYSA-N 391.402 4.395 0 1 GIAF COc1ccccc1CNC(=O)C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511448 KWBWGWJHGLZPNO-XMMPIXPASA-N 393.483 4.004 0 1 GIAF Cc1nnc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1-c1ccccc1 587662335 ZXJCKPDPAOAPNK-UHFFFAOYSA-N 397.413 4.081 0 1 GIAF Cc1ccc(/C=C/c2nc3cc(I)cnc3[nH]2)cc1F 587146193 CSAHMCMJVJGYGF-SNAWJCMRSA-N 379.176 4.180 0 1 GIAF CCCCC[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597497 QROSPHGMLNILRI-XMSQKQJNSA-N 384.428 4.236 0 1 GIAF CC(C)CCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798126 XMNKZRYKVVZOBR-KPZWWZAWSA-N 386.305 4.317 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ncnc2Cl)N1 587704163 IDZUUZLYEYTCJL-QTTZVWFDSA-N 391.071 4.309 0 1 GIAF CN1CCN(c2ccc3nc(C4CC(F)(c5cccc(F)c5)C4)[nH]c3c2)CC1 587131778 SZAOXECHXBOMDW-UHFFFAOYSA-N 382.458 4.196 0 1 GIAF C[C@@H]1[C@H](CC(=O)O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351122 JFLIWUFATLSPLS-WJTVKIQGSA-N 384.403 4.150 0 1 GIAF COC(=O)c1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCCCC1 587398829 IJKROXXWPIVWJR-NRFANRHFSA-N 394.471 4.061 0 1 GIAF N[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Br)cc1F 587142744 MWBPFFOPCJWQSC-GFCCVEGCSA-N 386.627 4.500 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1 586951344 XDVAKZIABXOWRO-UHFFFAOYSA-N 379.441 4.394 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c3oc(=O)sc3c1)CC2=O 587501781 XVYWIFAZXNNPSJ-OAHLLOKOSA-N 386.425 4.228 0 1 GIAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(CN3CCOCC3)cc2[nH]1 587066091 HTSZWGZJAZSSEI-UHFFFAOYSA-N 399.922 4.369 0 1 GIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](C(=O)C(F)(F)F)CC3 586986257 KEIKGAOQYPSDAB-GFCCVEGCSA-N 383.325 4.313 0 1 GIAF O=C(O)c1ccc(OC[C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520535 DYKXAXFMZXFLEK-XMMPIXPASA-N 392.451 4.457 0 1 GIAF Cc1c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cnn1-c1ccccc1F 587873598 ITHCNWFEPPPHDD-UHFFFAOYSA-N 378.338 4.117 0 1 GIAF COc1ccc2c(c1)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587809126 PTIQLMWKDHECAO-WLRWDXFRSA-N 376.269 4.321 0 1 GIAF Cc1ccc([C@]2(C)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1N 963186661 LAOLSDIMTBXWIX-AEFFLSMTSA-N 398.812 4.112 0 1 GIAF CSC(=C[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cccc(F)c21)SC 962909373 WZTRRKOJYVRHAT-JXFKEZNVSA-N 389.517 4.236 0 1 GIAF C[C@]1(Cc2ccc(O)cc2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963188661 VSQOGIIBNMOBNV-KBXCAEBGSA-N 399.796 4.121 0 1 GIAF Cc1cc2c(cc1F)[C@](c1ccc(CN3CCOCC3)cc1)(C1CCC1)NCC2 962089003 FJUMFZNPUOSHAK-RUZDIDTESA-N 394.534 4.156 0 1 GIAF CCCCCCC[C@@](C)(O)/C=C/[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 139949659 WODFTDUWTSIUTP-CPVFJDIBSA-N 391.508 4.122 0 1 GIAF CN(Cc1ccc(C(F)(F)F)cc1)c1cc(C(=O)Nc2ccccc2)ncn1 1772609403 KKXLQDGJOLYPFW-UHFFFAOYSA-N 386.377 4.384 0 1 GIAF CCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 169697182 HOJGYADNYPGADT-IZAXUBKRSA-N 386.536 4.070 0 1 GIAF Cn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1-c1ccc(F)cc1 1857766099 KDDMSZINJMDMMC-UHFFFAOYSA-N 388.328 4.092 0 1 GIAF CCC(=O)Oc1c2c(c(COC(=O)C(C)C)c3c(C)coc13)[C@H](C)C[C@H](O)C2 13300464 CDUOHYMZUNXCQA-OCCSQVGLSA-N 388.460 4.166 0 1 GIAF biogenic O=C(NC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccs1 45195762 KLLMRHGOIISTBE-UHFFFAOYSA-N 389.830 4.214 0 1 GIAF COc1cc(CNc2nc(C)cc(NCc3ccccc3)n2)cc(OC)c1OC 45351398 RFPXEMUSRROIFT-UHFFFAOYSA-N 394.475 4.035 0 1 GIAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccccc1F 82150694 KOIAUGNTVOQHCH-LIRRHRJNSA-N 382.483 4.413 0 1 GIAF COc1ccccc1C(=O)N1CCC(F)(F)[C@H](Oc2ccc3ccccc3n2)C1 146103777 HFJZNWHZVHFPNG-LJQANCHMSA-N 398.409 4.172 0 1 GIAF COC(=O)CC1=C(Cc2ccccc2)C[C@@H]2[C@H](Cc3ccccc3)C[C@@H]1N2C 169295188 UPUHZXXATZMRQT-JRFVFWCSSA-N 375.512 4.424 0 1 GIAF O=S(=O)(N[C@@H]1[C@@H]2CC[C@@H]1Cc1cc(F)ccc1C2)c1ccc(Cl)s1 169359323 WXZPJLSSIKLDLT-PSTGCABASA-N 385.913 4.013 0 1 GIAF CSc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 205722923 VCSLPGDBORAHDP-QGZVFWFLSA-N 382.268 4.128 0 1 GIAF CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2[C@@H]2CCc3ccccc32)C1 206905490 ZNFVDEKYACEZDA-OAQYLSRUSA-N 375.447 4.129 0 1 GIAF CCOC(=O)c1cc(-c2ccc(OC(=O)NC3CCCCC3)cc2)n(CC)n1 299859366 HUPLBJYHUKUMJC-UHFFFAOYSA-N 385.464 4.168 0 1 GIAF O=C(C[C@H](CO)c1ccc(OCc2ccccc2)cc1)OCc1ccccc1 473155039 OMHHZBZLUWMHTR-JOCHJYFZSA-N 376.452 4.475 0 1 GIAF COc1cc2c(cc1OC1CCCC1)CN(C(=O)c1ccccc1OC)CC2 473247931 JSYWGMUQSXFHSI-UHFFFAOYSA-N 381.472 4.224 0 1 GIAF N[C@@H](N=O)c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914473 QEQGNIVIXHXMKU-FQEVSTJZSA-N 388.383 4.055 0 1 GIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Cl)c(F)cc2[nH]1 586971978 CNLDRJLLHBXFBJ-KRWDZBQOSA-N 377.872 4.466 0 1 GIAF N=c1[nH]c2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc2o1 586986641 DTOAYWWBCJJHHU-UHFFFAOYSA-N 379.375 4.373 0 1 GIAF COc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1Cl 586996316 DYEINBOODYYRPX-GFCCVEGCSA-N 380.673 4.230 0 1 GIAF CCCn1cnc2cc(-c3nc4ccnc(OC)c4[nH]3)cc(Br)c21 587004336 RIYXYGXWLOGYCA-UHFFFAOYSA-N 386.253 4.156 0 1 GIAF CCc1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 587019245 INWMYXCYNAOIHS-UHFFFAOYSA-N 378.457 4.131 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(O)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 587025852 IRMKMUKHYYYKKQ-JVPBZIDWSA-N 381.501 4.405 0 1 GIAF Cc1oc(-c2ccsc2)nc1Cc1nc2c(F)cnc(Br)c2[nH]1 587026932 KCXYISACNPPBSJ-UHFFFAOYSA-N 393.241 4.475 0 1 GIAF COc1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2n1 587138494 KYXHWFYRWXHMGY-UHFFFAOYSA-N 381.338 4.277 0 1 GIAF COc1cc(-c2nc3ccnc(OC)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144168 SUPUDINKVRFWTF-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF Fc1cncc(Cl)c1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587176404 SGWOQVQUOKMPAR-UHFFFAOYSA-N 380.679 4.390 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Br)cnc2[nH]1)C1CCCC1 587226864 VHZZDSNCRCCQCJ-CYBMUJFWSA-N 395.301 4.476 0 1 GIAF Cc1cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2cc1Cl 587235257 JDWBFVYEZDVIGW-UHFFFAOYSA-N 377.872 4.388 0 1 GIAF COC(=O)[C@@H]1CCC[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346960 CXCZEXHMYCURHK-ZFUCPZCZSA-N 398.430 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)cnc1Cl)O2 587370090 BNYQHOXHQBAOGV-INIZCTEOSA-N 381.657 4.269 0 1 GIAF COc1ccccc1/C=C1/N2CCC(CC2)[C@]12CC(=O)c1cc(C)cc(N)c1O2 587395622 SPKQGMJOGLABRM-LYRGBEMXSA-N 390.483 4.057 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccccc2)Nc2ccccc21 587401198 QSDZCTPOUVOZFT-ZJSXRUAMSA-N 384.435 4.174 0 1 GIAF CCOc1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416670 FAJACXNQKCBDJU-KUHUBIRLSA-N 389.245 4.345 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc2ncccc12 587588034 RIUSIJBLZZUQIT-REWPJTCUSA-N 385.375 4.349 0 1 GIAF COc1cc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587720094 RAXJZHQEXNFXRX-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(C(=O)O)cccc32)N1 587820114 ABRMJILCZVREQN-OVWNDWIMSA-N 390.252 4.010 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3oc(CO)cc3c2)N1 587832816 LBNPWWCPXCPLQD-OVWNDWIMSA-N 390.252 4.450 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)OCCO3)N1 587833044 DZIUEFJUQFJSAX-WYRIXSBYSA-N 392.268 4.157 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nncc(-c2ccccc2)n1 587862985 OBAFPXUEAIDZJA-UHFFFAOYSA-N 397.360 4.419 0 1 GIAF COC(=O)Cc1cc(OC)n(-c2ccc(-c3cccc(F)c3)c(F)c2)c1OC 587943431 BBANAUKTVCORDQ-UHFFFAOYSA-N 387.382 4.155 0 1 GIAF Cc1cccc(C)c1N1CCN(CCN2CCC(Cc3ccccc3)CC2)CC1 653728720 VTMMKAQLVLTSNL-UHFFFAOYSA-N 391.603 4.380 0 1 GIAF O=C(OCc1cn(-c2cccc(C(F)(F)F)c2)nn1)c1cc2ccccc2[nH]1 653738868 BJIKBPAFNFLVCM-UHFFFAOYSA-N 386.333 4.124 0 1 GIAF COC[C@@]1(c2cccc(C(F)(F)F)c2)NCC(C)(C)c2ccc3c(c21)OCO3 963390345 HTEMHEIZQYKFRM-FQEVSTJZSA-N 393.405 4.205 0 1 GIAF Cc1ccc2nc(CO[C@H]3CN(Cc4cnc5ccccc5c4)C[C@@H]3F)[nH]c2c1 2356299303 FHIQSCTZIXOCMZ-AVRDEDQJSA-N 390.462 4.159 0 1 GIAF COc1ccc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc1OC 12207307 CZSLWJFLLJGXGP-QFIPXVFZSA-N 389.923 4.174 0 3 GIAF CC(=O)c1ccc(OCc2cc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)no2)cc1 12703538 OMUPUDARRWMTKJ-ROUUACIJSA-N 382.460 4.109 0 3 GIAF CCOC(=O)[C@@H](Sc1nnc(COc2ccc(CC)cc2)n1CC)C(C)C 1329518 RNCJWHBQJOYSEG-SFHVURJKSA-N 391.537 4.119 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1ccccc1C(F)(F)F 8465837 PWPMTRPKIXBNDI-RDJZCZTQSA-N 397.393 4.280 0 1 GIAF C[C@@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN1Cc1c(F)cccc1F 61908817 HUUGHUMWYAVXHQ-IBGZPJMESA-N 398.375 4.264 0 3 GIAF O=C(c1ccc(Cl)cc1Cl)[C@](O)(Cn1cncn1)c1ccccc1Cl 26008465 IGWVISJZEUVEJX-KRWDZBQOSA-N 396.661 4.009 0 1 GIAF Cn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCc1cccnc1 34791395 FEEQCYXQQDUICK-UHFFFAOYSA-N 379.411 4.133 0 1 GIAF Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1ccccc1O)C1CCCCC1 71341297 PABSTEZRMVQWFB-OAQYLSRUSA-N 380.488 4.326 0 1 GIAF C[C@@H]1CCc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccc(Br)cc12 49037517 UUKQKTKLSBUXEX-BIBXISHDSA-N 396.288 4.050 0 1 GIAF C[C@@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccn1 49050217 NPVKQRBIYIVQQU-XMSQKQJNSA-N 378.516 4.284 0 1 GIAF Cc1ccc(Oc2ccc(-c3ccc(CCC(N)(CO)CO)cc3)cc2)cc1 49068903 GVDBIWGVQNOWQG-UHFFFAOYSA-N 377.484 4.069 0 1 GIAF C[C@@H]1c2ncn(-c3ccccn3)c2CCN1C(=O)c1cccc(Cl)c1Cl 225992217 CRZVBAZZLCIAOA-GFCCVEGCSA-N 387.270 4.334 0 1 GIAF COc1cc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587768068 CKHAGAOHZHVELY-MLCYQJTMSA-N 379.273 4.232 0 1 GIAF CCCCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790255 FBFPRLMIKCWKGY-KPZWWZAWSA-N 386.305 4.461 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(I)cc1)O2 587386949 MXMWKMFZYIYGSJ-KRWDZBQOSA-N 393.224 4.062 0 1 GIAF C[C@@]1(c2ccc(C(=O)O)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347463 BSXYGFBDOQHPSZ-NQIIRXRSSA-N 382.343 4.097 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ncco2)N1 587773441 IMWNNSLKNMRQNO-BLVKFPJESA-N 387.252 4.402 0 1 GIAF CC(=O)c1ccc(CCc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1 587560892 IIJNZWMUNDWNQI-UHFFFAOYSA-N 385.423 4.091 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2csc(C(=O)O)c2)N1 587847916 MSVNITROESSLSR-VPTHRUTESA-N 384.270 4.146 0 1 GIAF COc1ccnc(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587707189 UOJKJRRBVPCFCR-GLEZIHRCSA-N 385.664 4.269 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C(=O)O)cn1 587865913 OWXLNVFRFTXYOP-UHFFFAOYSA-N 377.322 4.050 0 1 GIAF COc1cccc([C@@]2(c3c[nH]c4ncccc34)CC(=O)c3cc(C)cc(N)c3O2)c1 587397136 TUWWVTSBNBAIIZ-XMMPIXPASA-N 399.450 4.371 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CN(C)C(=O)OC(C)(C)C)N1 587744424 ZWCLPZTXQZCNLX-BONVTDFDSA-N 387.293 4.030 0 1 GIAF Cc1cc(Br)c2[nH]c(Cn3nc(C)c(Br)c3C)nc2c1 586979021 OCFJFSNGMFSWOV-UHFFFAOYSA-N 398.102 4.258 0 1 GIAF Cc1cc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2cc1C 586953385 NIPRMKKWQXBGAS-UHFFFAOYSA-N 384.486 4.104 0 1 GIAF Cc1cncc(C)c1[C@@H]1N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963168088 FSIWUGQEIAUPDX-GOEBONIOSA-N 384.785 4.059 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@@H](c2c(F)cc(F)cc2Cl)N1)C(F)(F)F 962728231 DANMPIDRTYGODP-HIFRSBDPSA-N 375.724 4.353 0 1 GIAF C[C@@H]1CCCN(CCCOc2cccc([C@H]3NCCc4ccc(O)cc43)c2)C1 963329398 NTSLVKLXHJJTDD-HOYKHHGWSA-N 380.532 4.128 0 1 GIAF COc1ccc2c(c1)NCC[C@@]21c2cccc(F)c2CCN1[C@@H]1CCSC1 962715866 PPCWLBNIDHRJNC-IVZQSRNASA-N 384.520 4.257 0 1 GIAF CCCCCCCC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC 148184271 DFMNYJXJCKYQOY-IBGZPJMESA-N 377.481 4.164 0 1 GIAF Cc1nc(C(=O)NCc2ccccc2)sc1[C@@]1(C)CC(c2ccccc2)=NO1 13478261 LXSZDALJUKZXON-JOCHJYFZSA-N 391.496 4.421 0 3 GIAF CN(C)c1ccnc2sc3c(=O)n(-c4ccc(C(F)(F)F)cc4)cnc3c12 13676092 BHDZUAZIRRYQON-UHFFFAOYSA-N 390.390 4.080 0 1 GIAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OCC(F)(F)F)cc12 1857558419 ALQSSMXFOXLMKX-WZBLMQSHSA-N 394.437 4.330 0 1 GIAF CC(C)(C)CN1C[C@@]2(CCC[C@H](Cn3cnc4ccc(C#N)cc43)C2)OC1=O 144767935 SWQFFJVGEHZGRF-JTSKRJEESA-N 380.492 4.335 0 1 GIAF Oc1noc(C2CCNCC2)c1Cc1ccc2c(Br)cccc2c1 13607806 VFQHLLZSHFAEKV-UHFFFAOYSA-N 387.277 4.354 0 1 GIAF CCCCCc1ccc(/C=C/C(=O)Nc2cccc3c2O[C@@H](C(=O)O)CO3)cc1 28012431 OMZOJDVVRPSXSI-FBRRREGBSA-N 395.455 4.296 0 1 GIAF CCN(CC)[C@H](C)c1cccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 28340138 YSIMPMRBLCPSEO-IVZQSRNASA-N 383.488 4.293 0 1 GIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CC2)cn1 34717757 AFJDPZQOARQRHU-UHFFFAOYSA-N 378.428 4.074 0 1 GIAF CCOC(=O)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1 36380784 RFYDCFQUJIGSFV-UHFFFAOYSA-N 395.322 4.352 0 1 GIAF CN(Cc1ccccc1)C(=S)N1CCC(c2cccc(Br)c2)=N1 40379172 JUQMMWNSONOKCA-UHFFFAOYSA-N 388.334 4.276 0 1 GIAF CC(C)[C@@H](COc1ccccc1Sc1cccc(F)c1)N(C)CC(=O)O 40565544 NXJZOIFIPMXMHR-QGZVFWFLSA-N 377.481 4.397 0 1 GIAF CC(C)(C)c1cc(NC(=O)CCc2nc(-c3ccc(F)cc3Cl)no2)no1 40976925 LCXPPKCDKPVXLH-UHFFFAOYSA-N 392.818 4.386 0 1 GIAF COc1cc(N[C@@H](C)CCCN2C(=O)[C@@H](C(C)C)NC2(C)C)c2ncccc2c1 43075489 LSPPUZWYYVSPQJ-OXJNMPFZSA-N 398.551 4.017 0 1 GIAF O=C(CSc1ncnn1-c1ccc(Cl)cc1Cl)Nc1ccccc1F 72116334 WNQKUISVNAGMBW-UHFFFAOYSA-N 397.262 4.444 0 1 GIAF CCCN(CCC)C[C@H](O)COc1ccccc1C(=O)CCc1ccccc1 73196727 YAMXCOQSQFKDFW-NRFANRHFSA-N 383.532 4.364 0 1 GIAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2)C1 82133319 UHOHDKJZZGLWOR-ROUUACIJSA-N 378.520 4.252 0 1 GIAF CCCCOc1ccc(C[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)O)cc1 101577700 HGBMFQJSXPXALW-SVFBPWRDSA-N 389.536 4.440 0 1 GIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 118914043 MENQCIVHHONJLU-GRWISUQFSA-N 398.565 4.422 0 1 GIAF in-vitro COc1cc2nc(N3CCCCC3)nc(NCc3ccc(F)cc3)c2cc1OC 140596324 UTUIDCBDUPPROQ-UHFFFAOYSA-N 396.466 4.389 0 1 GIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc2c(ccn2C)c1 167776470 XNKNJFATHUZRBM-LJQANCHMSA-N 378.472 4.449 0 1 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cccc(Cl)c4)ncc23)ccn1 205442232 SJDDTCHYJWJLDV-UHFFFAOYSA-N 392.850 4.303 0 1 GIAF CC[C@@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 586890155 NKTIBXUTBOEVHP-JXFKEZNVSA-N 385.489 4.276 0 1 GIAF Cc1cc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2cc1Br 586997711 RBWOYOIMKMRHLA-CQSZACIVSA-N 396.082 4.478 0 1 GIAF COc1cc(Cl)ccc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587066011 DLXINNRGGGKLAH-UHFFFAOYSA-N 390.770 4.185 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(Br)ncc2[nH]1)C1CCCC1 587223451 BRKLYJCDXVADIK-CQSZACIVSA-N 395.301 4.476 0 1 GIAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587508789 BTPUSIAOTAGKAX-QHCPKHFHSA-N 377.440 4.167 0 1 GIAF Cc1ccc2c(c1)[C@]1(CCCS2(=O)=O)CC(=O)c2ccc3c(c2O1)CCCC3 587532325 PMRMLDMTJGXMTI-QHCPKHFHSA-N 396.508 4.302 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3[nH]c(Cl)ncc2-3)N1 587706562 QNISPZULNURFPR-WJWGPLDTSA-N 395.663 4.088 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]([C@H]2CCCC2=O)(C(F)(F)F)N1 587710890 UXKODINCLNUKPX-OWCSCZDJSA-N 394.206 4.249 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn([C@H]3CCCCO3)n2)N1 587763989 NUVMGDOJNYIHTJ-MZKGEVEHSA-N 394.288 4.107 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-c3ncon3)c2)N1 587799245 XKSQODGYTLRENK-DYZYQPBXSA-N 388.240 4.262 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3(CCOCC3)CC2)N1 587832709 CCYRIQCCAOSLLW-BFUOFWGJSA-N 380.301 4.465 0 1 GIAF COc1ccc(OC)c(-c2nc3cc(Br)c(F)cc3[nH]2)c1OC 587924947 CIXSCBKSFZPHEZ-UHFFFAOYSA-N 381.201 4.157 0 1 GIAF Cc1c(F)ccc2c1[C@@H](c1ccc(CCNC(=O)OC(C)(C)C)cc1)NCC2 962093817 RIOKBUAHZXZTAX-OAQYLSRUSA-N 384.495 4.436 0 1 GIAF CCOC(=O)CCCCC[C@@]1(C(=O)OCC)c2ccc(C)c3c2C2(CC2)CN31 963729642 KEMPWRWPLYQPSO-QHCPKHFHSA-N 385.504 4.132 0 1 GIAF COc1cccc([C@@H]2c3nn(C)cc3CCN2C)c1OCc1ccc(Cl)cc1 963954064 GMCAAYAYUAUXAG-OAQYLSRUSA-N 397.906 4.238 0 1 GIAF Nc1ncccc1-c1cc(Cc2ccnc(OCc3cccc(F)c3)c2)no1 1857601725 NTFFABXXKRIMIX-UHFFFAOYSA-N 376.391 4.023 0 1 GIAF CC=C(C)C(=O)O[C@@H](C)[C@@H](OC(=O)C(C)=CC)c1cc2c(c(OC)c1)COC2 2356514416 FPNDMJFSLCQGMU-MGPUTAFESA-N 388.460 4.174 0 1 GIAF Cc1ccc2c(c1)-n1c(nc3cc(C)ccc3c1=O)[C@@H](Cc1ccccc1)NC2=O 61949288 SELXKFCNVQWBLD-OAQYLSRUSA-N 395.462 4.030 0 3 GIAF CC(=O)Nc1cccc(-c2ccc3c(c2)N(Cc2ccccc2)C(=O)COC3)c1 205212884 FVSHDSWUEJYUGD-UHFFFAOYSA-N 386.451 4.375 0 3 GIAF Cn1cccc1C(=O)N1CCC2(CC1)CN(c1cccc(-c3ccccc3)c1)C2 3956195 WUKDIOLZVMZGRP-UHFFFAOYSA-N 385.511 4.435 0 1 GIAF C=C(CCCC(C)=O)[C@@H]1C(=O)O[C@H](CC=C(C)C)C2=CO[C@H](OC(C)=O)C[C@H]21 14416118 ZTZIHQBJVZOZFJ-WLRLJWMZSA-N 390.476 4.009 0 1 GIAF biogenic COc1cc(OC)c(-c2coc3c4c(ccc3c2=O)O[C@H]2[C@@H]4C2(C)C)cc1OC 14691108 GUBOZMSGAMLXPU-KNQAVFIVSA-N 394.423 4.370 0 1 GIAF biogenic O=C(NCCc1cccnc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959173 QDUDWHMLOOZLSL-UHFFFAOYSA-N 391.862 4.093 0 1 GIAF CCOC(=O)C1=CN(C(=O)Oc2ccccc2)C=C[C@@H]1c1ccccc1OC 28649383 ARVLBNCGYZTGLR-QGZVFWFLSA-N 379.412 4.254 0 1 GIAF CCn1c2ccccc2c2cc(S(=O)(=O)Nc3ccc(OC)nc3)ccc21 28702587 HHEYEABPMDAJPJ-UHFFFAOYSA-N 381.457 4.019 0 1 GIAF Cc1ccc(N2CCc3ncnc(NCCc4ccc(Cl)cc4)c3C2)nc1 35077841 GBQJHHKPJDWIBU-UHFFFAOYSA-N 379.895 4.051 0 1 GIAF CCCCN(CC)c1nc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)c(C)nn12 40938861 PTXCVRZJGXONFE-UHFFFAOYSA-N 395.555 4.112 0 1 GIAF CC[C@@H](CF)Oc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1 40955981 LOVLVSOTTZREMH-AWEZNQCLSA-N 382.863 4.358 0 1 GIAF CC(C)CN1CCC(N(C)c2cc(NC(=O)c3cccc(F)c3)ccn2)CC1 45168879 SVOQANXBROKCAO-UHFFFAOYSA-N 384.499 4.030 0 1 GIAF COC(=O)c1[nH]c2ccc(Cl)cc2c1Cc1cc(OC)c(OC)c(OC)c1 45254671 JVTYKTVCPFRZHN-UHFFFAOYSA-N 389.835 4.225 0 1 GIAF CN1CCC[C@@H]1Cn1nc(Cc2ccc(C(C)(C)C)cc2)c2ccccc2c1=O 71318080 DXZJJDOMGLPHDI-HXUWFJFHSA-N 389.543 4.379 0 1 GIAF Cc1cccc(C)c1NC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@H]3C2=O)c1 101897450 PGQVHESPZVLJSN-VOBQZIQPSA-N 390.483 4.481 0 1 GIAF C[C@@H]1CC2=C(NC(=O)N[C@H]2c2ccc(O)c(Br)c2)c2ccccc21 140018350 YCLJXUBKLRXEKU-QGHHPUGFSA-N 385.261 4.427 0 1 GIAF CC(C)CNS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1 224727949 VLSIMEMHVHQEKJ-UHFFFAOYSA-N 399.491 4.071 0 1 GIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 586888977 KWZZPDZTJXMMNV-MEDUHNTESA-N 398.406 4.002 0 1 GIAF Cc1[nH]c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)c1C(=O)O 586990199 WHARMOXBWARGMF-UHFFFAOYSA-N 384.391 4.462 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cncc(C)c3[nH]2)c1 587050810 QZCKALOQIIRZGA-BQYQJAHWSA-N 397.866 4.310 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 587075820 NDUIKVHRYKTADY-UHFFFAOYSA-N 394.862 4.483 0 1 GIAF FC(F)(F)CCc1ocnc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587092521 QTTVCNYHUWJDKP-UHFFFAOYSA-N 385.655 4.127 0 1 GIAF CC(C)[C@@H](c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)N(C)C 587198518 HZSHORPAXRBDEU-LBPRGKRZSA-N 380.208 4.483 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1F 587470691 GNMQPBCUFPEKMO-LAUBAEHRSA-N 393.455 4.028 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccn(-c2ccccc2)n1 587583414 WASMRFOCFHPFOM-OFNKIYASSA-N 384.391 4.281 0 1 GIAF CC(=O)c1[nH]c(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587586136 BNRBFWWRSLNLJF-WMZHIEFXSA-N 391.423 4.417 0 1 GIAF COc1ccc(OC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587591152 FZGIHCCGWOLYAW-DENIHFKCSA-N 378.380 4.112 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc3c(c12)CCO3 587609604 OGJDAACLDWAVEU-XUZZJYLKSA-N 386.403 4.130 0 1 GIAF COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cccc(F)c12 587636687 CTTNJDFIZRMPJI-GFCCVEGCSA-N 376.428 4.208 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccccc2Cl)N1 587694886 IJKFQUFPLUXGAB-XYZCENFISA-N 398.659 4.104 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3n[nH]c(Cl)c3c2)N1 587706366 PSRRZZBHPPPSJT-NXSYQRQQSA-N 395.663 4.137 0 1 GIAF CCOC(=O)[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587799278 ROKMBHXBGDAHAE-FNFWKMNBSA-N 384.289 4.071 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2scc(C)c12 587869642 OTKVXUKNCPRSFR-UHFFFAOYSA-N 391.378 4.275 0 1 GIAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 587938181 UHVJJUJHQKWCED-XMHCIUCPSA-N 388.471 4.240 0 1 GIAF C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CC[C@@H](c2ccccn2)NC1=O)C1CC1 618013068 CQGVMZAJFZRNCD-WNYOCNMUSA-N 397.906 4.055 0 1 GIAF CC1([C@@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)CCOCC1 962960139 SBOBZHJTZTVNKC-IBGZPJMESA-N 383.454 4.389 0 1 GIAF CC(C)(C)OC(=O)n1ccc2ccc([C@@H]3NCCc4c(C(=O)O)cccc43)cc21 963135080 WOHWTLBXPGXCIU-FQEVSTJZSA-N 392.455 4.358 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc[nH]1)C(Cl)(Cl)Cl 963607668 JWEPKNSYRZKVRV-QFYYESIMSA-N 389.710 4.180 0 1 GIAF CCOc1ccc2c(c1)CCN(Cc1ccc([C@H](C)NC(=O)C3CC3)cc1)C2 1772650141 RNXJWROXAQCEEO-KRWDZBQOSA-N 378.516 4.231 0 1 GIAF Cc1nn(C)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 1857757531 ZZOQNTHSFVRBSR-GOSISDBHSA-N 392.455 4.234 0 1 GIAF Cc1nc([C@@H](C)NC(=O)c2cc(COc3ccc(C)c(C)c3)on2)c(C)s1 11874730 PTRLPPZZWVWZRP-CYBMUJFWSA-N 385.489 4.435 0 3 GIAF Cc1cccc(CNC(=O)c2sc(=O)n(Cc3c(C)cccc3C)c2C)c1 61927193 ZDTSRUAMANKXLS-UHFFFAOYSA-N 380.513 4.122 0 3 GIAF CCCCNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC 4055530 KDEJMBAHXGLKPW-ICSRJNTNSA-N 386.879 4.357 0 1 GIAF O=C1N(Cc2ccccc2)c2cscc2S(=O)(=O)N1Cc1ccccc1 6579986 VGQBOBSHKLXJSG-UHFFFAOYSA-N 384.482 4.079 0 1 GIAF O=S(=O)(Cc1ccc(Cl)cc1)NCCCCCCCCc1c[nH]cn1 26834873 GRHYWNWNKMYLMZ-UHFFFAOYSA-N 383.945 4.066 0 1 GIAF CC[C@H](c1ccc(O)cc1)[C@@H](CCCCN1CCNCC1)c1ccc(O)cc1 27894818 DFVZOKBVNKQWIZ-RPWUZVMVSA-N 382.548 4.451 0 1 GIAF CCCCCCc1ccc(OCCCCCCCC(=O)NCCO)cc1O 28649226 YGEXFPZQFOIBEU-UHFFFAOYSA-N 379.541 4.343 0 1 GIAF CCCCc1nccn1Cc1ccc(NC(=O)c2ccccc2C(=O)O)cc1 28761651 UUVYEGKMATUNJX-UHFFFAOYSA-N 377.444 4.225 0 1 GIAF Cc1cc(C(=O)N(C)Cc2cccnc2)cc(OCc2cccc(Cl)c2)n1 36352029 WGXUYTOJSXHKLX-UHFFFAOYSA-N 381.863 4.290 0 1 GIAF C/C1=C\CC(C)(C)/C=C/C[C@@]2(C)Oc3cc(O)c(=O)cc(C)c3C[C@@H]2C[C@H]1O 39060944 REJAHZFROGUZPE-CLMAGMTOSA-N 384.516 4.444 0 1 GIAF O=c1[nH]nc(CCCCN2CC=C(c3ccc(F)cc3)CC2)c2ccccc12 59114856 QJXHLKDIFGACHY-UHFFFAOYSA-N 377.463 4.174 0 1 GIAF C[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)OCCC1CCCCC1 82070785 DEECUEDICMTPND-OAHLLOKOSA-N 386.517 4.442 0 1 GIAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2)C1 82133318 UHOHDKJZZGLWOR-HDICACEKSA-N 378.520 4.252 0 1 GIAF CCc1ccc(-c2csc(N[C@H](C(=O)NCCCOC)[C@@H](C)CC)n2)cc1 82195264 SGJNQOXRUGHLSU-KXBFYZLASA-N 389.565 4.352 0 1 GIAF CO[C@H]1C[C@@H](CC[C@@]2(C)[C@H](C)[C@H](O)C[C@@]3(C)C(COC(C)=O)=CCC[C@@H]32)CO1 85671113 ZDDVYTWRCWFGSQ-YGFIXLDZSA-N 394.552 4.088 0 1 GIAF biogenic Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cc(F)c34)n(C3CC3)c(=O)c12 88346142 NAAAAYROSUIJQP-LBPRGKRZSA-N 377.423 4.228 0 1 GIAF N#Cc1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)n[nH]3)n2)c1 139685165 PHUGMPMQANAIIK-UHFFFAOYSA-N 396.252 4.198 0 1 GIAF COCC(=O)Nc1ccc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)c1 144377801 ZOKREJGPWBOHKW-UHFFFAOYSA-N 389.455 4.144 0 1 GIAF Oc1cc(N2CCC(c3nc4ccccc4[nH]3)CC2)c(O)n1-c1ccccc1F 169691227 RZRHWLQMTDODOH-UHFFFAOYSA-N 392.434 4.288 0 1 GIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cncc(-c2ccccc2F)c1 261153439 PJQHHWURUZVPEQ-FQEVSTJZSA-N 378.403 4.142 0 1 GIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1 586973019 MFLWEDVYMOXESZ-INIZCTEOSA-N 377.872 4.466 0 1 GIAF Cn1ccnc1[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586987935 VOHQWUHBGVCQIP-CYBMUJFWSA-N 381.435 4.158 0 1 GIAF O=C1C[C@@H](Cc2nc3cc(F)cc(F)c3[nH]2)c2c(Br)cccc2O1 587004272 SHJHQOJWWQURMQ-MRVPVSSYSA-N 393.187 4.239 0 1 GIAF Cc1csc(SCc2ccc(-c3nc4c(O)nc(S)nc4[nH]3)cc2)n1 587021078 HSPQLMBMMZYWEK-UHFFFAOYSA-N 387.515 4.071 0 1 GIAF COc1cc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2cc1Cl 587037954 BDQZBDXZYSPPNK-UHFFFAOYSA-N 381.845 4.090 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C)cnc4[nH]3)c(F)c2)c1 587147163 JGKVNRFFJNNNDO-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF CCS(=O)(=O)c1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2c1 587171920 VMBYXZJZMRDONB-LBPRGKRZSA-N 378.494 4.391 0 1 GIAF C[C@@H]1CC2(CC[C@@]13Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1)OCCO2 587356950 LOHPXCXNYPCXML-HCVAFPHWSA-N 398.430 4.192 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1)O2 587396534 UHIMNKWEYSTNBI-VGSWGCGISA-N 388.508 4.337 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccnc4cc(Br)ccc14)[C@@H](C2)C3=O 587419008 RANOMKNHCKFNSU-MGPUTAFESA-N 396.240 4.495 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(OC)ccc4ccc(OC)cc14)[C@@H](C2)C3=O 587442227 KLJYCKZWXOPZDJ-GAJHUEQPSA-N 376.408 4.354 0 1 GIAF CCOC(=O)[C@@H](c1cccnc1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587516321 VZIBCEDRVFWTAW-NFBKMPQASA-N 379.456 4.031 0 1 GIAF Cc1ccnc2c1c([C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)cn2C 587583436 WHQRYCUPGNJFER-DENIHFKCSA-N 386.407 4.290 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)c(F)c2)N1 587725090 NGSWUMRCNFVAQN-VPTHRUTESA-N 382.204 4.049 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cncc(F)c2)(C2CC2)N1 587734432 RHZQNZMKVUAMPX-YPMLDQLKSA-N 379.248 4.310 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCN(C3CCCC3)C2)N1 587768798 MNFUMFFPMNLPFK-YJYMSZOUSA-N 381.333 4.356 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc4c(cc32)OCO4)N1 587838782 PCGAOZYUPRWIJC-OVWNDWIMSA-N 390.252 4.041 0 1 GIAF Cc1nc2c(s1)[C@@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587857757 MYOYIPKVZKEEKG-XYZCENFISA-N 381.314 4.467 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(F)cc1F 587870992 MYMVNZVJYUERTI-GFCCVEGCSA-N 390.361 4.474 0 1 GIAF CC[C@@H](Cc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1)C(=O)O 653793301 RMSIGOGMZNVDQZ-AWEZNQCLSA-N 395.377 4.169 0 1 GIAF COc1ccc2c(c1OC)[C@@](C)(c1ccc3c(c1)OC(F)(F)O3)N(C)[C@@H](C)C2 962564748 HKFLJVZKXFPACF-FKIZINRSSA-N 391.414 4.165 0 1 GIAF O=C(O)CCCCC[C@@]1(C2CCC2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962760592 GIIFNAVEMDIGBJ-XLIONFOSSA-N 397.437 4.363 0 1 GIAF C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@H](C)[C@]2(NCCc3c(C(=O)O)cccc32)[C@@H]1C 963131866 PATYOCSBCPRNRY-CHDKBQBLSA-N 392.543 4.291 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(-c3ccsc3)o2)N1 963228122 NBSLHZFUOSRSDL-XLIONFOSSA-N 376.437 4.245 0 1 GIAF COc1ccc([C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1OC(F)(F)F 963582126 PGGVHSNLDOIVCC-WLRWDXFRSA-N 397.393 4.235 0 1 GIAF Clc1cccc(-c2nnnn2CCCN2CCC(Cc3ccccc3)CC2)c1 1772583594 VXUXCJFYGBZUNA-UHFFFAOYSA-N 395.938 4.338 0 1 GIAF Cc1ccc(-n2cc(COc3ccc4c(C)cc(=O)oc4c3)nn2)c(Cl)c1 1857748402 PVHKQGXISDIVSU-UHFFFAOYSA-N 381.819 4.223 0 1 GIAF CO[C@H]1O[C@@H](OC)C2=C1[C@@]1(C)CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@@H]1CC2 2356791339 GONHLEBMRHPYFF-VJCFWUIASA-N 378.509 4.366 0 1 GIAF C[C@]1(C(=O)NCc2ccc(F)c(F)c2)Cc2c(-c3ccccc3)ccnc2O1 61903784 CRTMSHJHBUSNPF-JOCHJYFZSA-N 380.394 4.037 0 3 GIAF COc1ccc(NC2=C[C@H](c3ccco3)N(c3ccc(OC)cc3)C2=O)cc1 206954736 KGVJMPFKQBQELQ-HXUWFJFHSA-N 376.412 4.381 0 3 GIAF COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC 1091179 RRALBUQSJRAPDV-GOSISDBHSA-N 379.865 4.144 0 1 GIAF CC(C)Cn1cc(C(=O)N2CCC[C@@H](C)C2)c2c3ccccc3n(C)c2c1=O 2466228 PEPORKIYLCSCRJ-MRXNPFEDSA-N 379.504 4.021 0 1 GIAF COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4050048 OHTIECZQUVGPNK-GGAORHGYSA-N 388.467 4.084 0 1 GIAF COc1ccc(CCNC[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1OC 13651333 FWMGIECEDIUFSN-XMMPIXPASA-N 399.531 4.251 0 1 GIAF Cc1cccc(Cl)c1Nc1nc2c(N3CCOCC3)cccc2n2cncc12 26570359 OXGBMPASCCYPGM-UHFFFAOYSA-N 393.878 4.425 0 1 GIAF COc1ccc2c(c1)c(CCO[N+](=O)[O-])c(C)n2C(=O)c1ccc(Cl)cc1 28862904 UDIIURVKMXXJME-UHFFFAOYSA-N 388.807 4.051 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccccc3C(C)=O)cc2)C[C@@H]2CC[C@H]1N2C 29476117 IKFLALJPMIMFEC-MKWLTTDUSA-N 377.484 4.296 0 1 GIAF CC(=O)NCCCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1 29553241 WMKCCEPCWQREAL-UHFFFAOYSA-N 397.469 4.183 0 1 GIAF COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@@H]1c1ccc(C)o1 38197830 UFUBDAPTJFEFGH-FGZHOGPDSA-N 392.455 4.417 0 1 GIAF c1cc(NCCN2CCCC2)ccc1Cc1ccc(NCCN2CCCC2)cc1 66099303 IPAURTSHFSCLNY-UHFFFAOYSA-N 392.591 4.293 0 1 GIAF Clc1ccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)cn1 96168827 IWQSTQYRJYRZCJ-UHFFFAOYSA-N 389.846 4.008 0 1 GIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OCC4CC4)nc3)C2)cc1 96172898 WNYSBYQZCJNQEC-MRXNPFEDSA-N 380.488 4.221 0 1 GIAF Cc1nnc(-c2ccccc2-c2ccc(CN3CCC(C(=O)O)CC3)cc2)o1 98082000 NFIBXCNUIODYBU-UHFFFAOYSA-N 377.444 4.009 0 1 GIAF CN(C)Cc1ccccc1Sc1ccc([123I])cc1N 101656382 KPKLDBBNSFWOFA-KIWWSDKQSA-N 380.288 4.086 0 1 GIAF Cc1cc(-c2ccc(CC(=O)Nc3ccc(-c4ccccn4)cn3)cn2)ccn1 116934707 OYWZGVKRJNOWPI-UHFFFAOYSA-N 381.439 4.090 0 1 GIAF O=C(Nc1ccn(-c2ccccc2F)n1)[C@H]1CC[C@H](Nc2cccc(F)n2)CC1 143623012 BTAFTIZFQLUJSL-GASCZTMLSA-N 397.429 4.155 0 1 GIAF C[C@H](Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2ccnc(NC3CC3)n2)C1 169292801 TXUGDPXGLXURBO-IAGOWNOFSA-N 375.520 4.343 0 1 GIAF in-vitro O=C(O)C[C@H](NC(=O)c1cccc(-c2ccccc2Cl)n1)c1ccccc1 261153845 PMPNPVVQVUCDMO-IBGZPJMESA-N 380.831 4.348 0 1 GIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Cl)cnc3[nH]2)cs1 587019626 RPXYARWROSVKKK-UHFFFAOYSA-N 384.852 4.303 0 1 GIAF Cc1cc(-c2nc3cc(Cl)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123057 BCENGZRTSRNYMR-UHFFFAOYSA-N 389.786 4.453 0 1 GIAF CC(C)[C@H](c1nc2cc(-n3cccn3)c(F)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197913 QBNHZVSPBYUIGF-QGZVFWFLSA-N 387.459 4.452 0 1 GIAF CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587401782 YLKBRWYQNQWZCY-KDLAUNOPSA-N 393.483 4.428 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc3ccccc3c1)O2 587409493 VTPUFACPYMTSFE-QHCPKHFHSA-N 375.424 4.456 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccccc2O[C@@H]1c1ccccc1 587414495 VQEKCDGLJFYMNW-RPWUZVMVSA-N 385.419 4.298 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]ccc1=NC(=O)OC(C)(C)C)CC2=O 587471870 WCCFUMUEMUPCEM-LJQANCHMSA-N 398.459 4.215 0 1 GIAF COc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587549915 TVCNPIOSUCLGSE-UWJYYQICSA-N 397.814 4.326 0 1 GIAF C[C@@]1(c2cc(F)cnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569006 JJLQYSYTOQVJIU-UZLBHIALSA-N 385.778 4.457 0 1 GIAF CCOC(=O)c1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587623262 CIMMDXKMEVDOSM-UHFFFAOYSA-N 385.221 4.045 0 1 GIAF CCOC(=O)c1c(-c2ccc(Cl)cc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587649946 NLURBKRGCYFZTE-UHFFFAOYSA-N 395.839 4.208 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(F)F)([C@@H]2CCCCC2=O)N1 587720214 SDRZZLPGJKFVAU-CINOJJQCSA-N 390.243 4.342 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(C2(C)CC2)N1 587723003 UPRAKFMUBHNPNK-XYZCENFISA-N 390.243 4.342 0 1 GIAF COc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)nn1C 587759049 RVPCYQOEWGOGKH-BMLIUANNSA-N 396.304 4.077 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2ccccn2)N1 587772502 OCUCFZSVBBWZJJ-XCLFUZPHSA-N 398.279 4.204 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2ccccc2)N1 587827362 KUYILXVVIMHITA-BUXKBTBVSA-N 392.268 4.231 0 1 GIAF COc1ccc([C@H](O)[C@H](C)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 587934710 FGVYJXKPQKLKEM-RMLUDKJBSA-N 396.672 4.220 0 1 GIAF CC[C@]1([C@H]2CCOC(C)(C)C2)c2cc(OC)ccc2CCN1CCCOC 961327713 UGSGCHJRXUBCCI-CVDCTZTESA-N 375.553 4.400 0 1 GIAF CC(=O)c1ccc2c(c1)[C@@](C)(C(C)(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962619896 HOEQWMDFOPMHFV-JTSKRJEESA-N 389.492 4.397 0 1 GIAF Cn1ncc2cccc([C@@]3(C)c4cccc(F)c4CCN3[C@@H]3CCSC3)c21 962711046 PHWQPUUMKLURAB-OPAMFIHVSA-N 381.520 4.340 0 1 GIAF C[C@@H]1CC[C@]2(c3cccc(F)c3CCN2[C@H]2CCSC2)[C@@H](n2cncn2)C1 962719677 WEPINHKXWXVEIW-ALGWMNEGSA-N 386.540 4.037 0 1 GIAF CCc1ccccc1[C@@]1(c2ccccc2OC)NCCc2nc3ccccn3c21 962984824 NXJSFYSLMCRYHB-VWLOTQADSA-N 383.495 4.343 0 1 GIAF CCOC(=O)c1c(C)ccnc1-c1ccc([C@H]2NCCc3c(C)ccnc32)cc1 963073640 WXHMVICWSYPMAU-JOCHJYFZSA-N 387.483 4.172 0 1 GIAF CC1(C)CN[C@](C)(c2ccc(F)cc2N2CCCC2)c2cc3c(cc21)OCO3 963389477 AQSOZZIXRASAFP-HSZRJFAPSA-N 382.479 4.299 0 1 GIAF COc1cc([C@@H]2CCc3c(ccc(OC)c3OC)C(=O)C2)cc(OC)c1OC 1857547804 MHHMOFOCPFLXTR-CYBMUJFWSA-N 386.444 4.032 0 1 GIAF CN(C(=O)c1cn(C)c2cc(-c3ccccc3)cnc12)c1ccc2[nH]ncc2c1 1857616225 YYGAVVNPWFHPHZ-UHFFFAOYSA-N 381.439 4.393 0 1 GIAF CCCN1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1F 1911574117 KWOJELJASRYOEU-GOSISDBHSA-N 377.257 4.342 0 1 GIAF CCC[C@@H]1c2cc[nH]c2C=C[C@@H]1C(=O)CC(=O)CCc1ccc(O)c(OC)c1 2356293013 YYXNFYUGKRNIIF-MJGOQNOKSA-N 381.472 4.417 0 1 GIAF C[C@@H]1CC[C@@H]2[C@H](O)[C@@H]3CC[C@@H]4[C@H](C[C@@H]5[C@@H]4CC=C4C[C@H](O)CC[C@]45C)[C@H]3CN2C1 2356505958 VJYPILHMXGYWKP-DNYYVFJDSA-N 399.619 4.237 0 1 GIAF O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2)C(F)(F)F 36381539 QACOGNLQPASLTK-UHFFFAOYSA-N 383.420 4.171 0 3 GIAF Cc1ccc2c(c1)N(CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)c1cccnc1O2 6878061 BJSBMECVEKPDDO-XYJFISCASA-N 393.487 4.083 0 3 GIAF C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)ccc1Cl 28820543 CCHLSFVEQIXFHR-LLVKDONJSA-N 383.300 4.384 0 1 GIAF CC[C@H]1NC(=O)[C@@](CCN(C(C)C)C(C)C)(c2ccccc2)[C@@H]2CCCCN12 28756168 WDKQQRCLEKNRIX-FIXSFTCYSA-N 385.596 4.154 0 1 GIAF O=c1[nH]c(=O)c(Cc2ncccc2Cl)c([C@H]2CC[C@@H](c3ccccc3)CC2)[nH]1 101598405 RIWSMIONNFIVIX-WKILWMFISA-N 395.890 4.144 0 1 GIAF Fc1ccccc1Cn1nnc2c(NC3CCCC3)nc(-c3ccccc3)nc21 28643323 AKMVZWIYTSGYAG-UHFFFAOYSA-N 388.450 4.430 0 1 GIAF Cc1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 22262346 OIHXAVOYOWDAGV-HXUWFJFHSA-N 395.459 4.078 0 1 GIAF CCCCCCNC(=O)CS(=O)(=O)Nc1c(C(C)C)cccc1C(C)C 26740670 GAZWTSLQCAMJQE-UHFFFAOYSA-N 382.570 4.372 0 1 GIAF CC(=CCCc1ccoc1)CC=C[C@](C)(O)CC[C@@H](O)[C@]1(C)CCC(=O)O1 2356442665 LMCVGYPFPPMZGR-HJNYFJLDSA-N 376.493 4.093 0 1 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@H](OC(=O)C(C)C)CC[C@@H](C)[C@@]12C 2356457657 XHTHGRNWGBDAAM-SWJYBZKVSA-N 376.449 4.009 0 1 GIAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C=C1C[C@H]3O 2356479871 HCXLGXVBNGIUAC-MYIZQZTASA-N 390.564 4.398 0 1 GIAF Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)C[C@H]3CC[C@@H]5N3)c(=O)c2)cn1 113221815 LJHHXJOXVGZINW-NQIIRXRSSA-N 396.494 4.049 0 1 GIAF COC(=O)C=C(C)CCC=C(C)CCC=C(CCC=C(C)C(=O)O)C(=O)O 2356667471 NOSWBCUINNVHSM-UHFFFAOYSA-N 378.465 4.435 0 1 GIAF COc1ccc(CCNc2cc(-c3cccc(C(C)=O)c3)ncn2)cc1OC 82162108 UWJZROAEJKGQGY-UHFFFAOYSA-N 377.444 4.018 0 1 GIAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1N[C@@H]1C[C@H](C)CC(C)(C)C1 82204096 BCWCBRQGZQITIZ-PKOBYXMFSA-N 394.567 4.133 0 1 GIAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccc(F)cc2)C1 82140194 JLRPPIATZWWMLZ-CVEARBPZSA-N 384.499 4.390 0 1 GIAF CCCC[C@@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN[C@@H]3C5 95554284 YMMSTFUUPZBVDO-KTGICCEDSA-N 395.543 4.097 0 1 GIAF O=C(Cn1ccc(=NCc2ccccc2)cc1)c1ccc(Br)cc1 68584552 HGUUIDBBRSZKTF-UHFFFAOYSA-N 381.273 4.234 0 1 GIAF biogenic FC(F)(F)Oc1cccc(-c2cnn3ccc(NCC4CCOCC4)nc23)c1 299833295 KMNRCZURSJYSOE-UHFFFAOYSA-N 392.381 4.133 0 1 GIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(Cl)cnc2[nH]1 587258295 FRHIVTDMYATQEK-INIZCTEOSA-N 379.851 4.183 0 1 GIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(=N)N)cc2[nH]1 587035465 WTGXPKMTDZZACO-OAHLLOKOSA-N 391.500 4.333 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)nc1)CC2=O 587461850 ZXASVLZTGQZNOI-GOSISDBHSA-N 376.250 4.383 0 1 GIAF CCOC(=O)[C@H]1C[C@H](C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992119 NWVOFVZGEZKBMQ-WBMJQRKESA-N 387.435 4.381 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(C)(C)O)N1 587824538 CDCQXOSHAQBEIT-HXPMCKFVSA-N 378.285 4.137 0 1 GIAF O=S(=O)(O)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587047764 MOVIFSARODLVDJ-NXEZZACHSA-N 383.256 4.388 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O)N1 587820354 BFTCQPQQBTXCEJ-LUWNBPCJSA-N 382.317 4.135 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccccc4)Oc4ccccc41)[C@@H](C2)C3=O 587452081 CZRHHDARVDBGLE-WYRQLCSISA-N 398.414 4.041 0 1 GIAF CCOC(=O)c1c(N)oc(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511826 SAMDMCATFPJCPP-QFIPXVFZSA-N 383.444 4.106 0 1 GIAF COc1ccc(C)cc1NCCCc1nc2c(C)c(Br)cnc2[nH]1 587228681 WJFYCCXNAQWVPA-UHFFFAOYSA-N 389.297 4.391 0 1 GIAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1F 587721978 XHQRRMYLUGQWQJ-CQLKUDPESA-N 386.211 4.499 0 1 GIAF Cc1ccc([C@@]2(c3ccc(Br)cc3)NCCc3c(C)ccnc32)cn1 963069473 MWNHXGFUICJDNB-OAQYLSRUSA-N 394.316 4.294 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(c1ccc3c(c1)OC(F)(F)O3)N(C)[C@H](C)C2 962564756 HKFLJVZKXFPACF-ODXCJYRJSA-N 391.414 4.165 0 1 GIAF CCCSc1nc(Sc2ccccn2)c2nnn(Cc3ccccc3)c2n1 1772580614 SACAOHHOYBXWSV-UHFFFAOYSA-N 394.529 4.318 0 1 GIAF CS(=O)(=O)c1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 1772584100 NMKDLWSUDWWQKD-UHFFFAOYSA-N 393.390 4.310 0 1 GIAF CC1(C)COC(c2c(-c3ccccc3)noc2C[S@](=O)c2ccccc2)=N1 5741554 YJIQVCOGDCQHOW-HHHXNRCGSA-N 380.469 4.205 0 1 GIAF CC(C)Oc1cccnc1N(C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 5963111 JMCOWKMLYTUQLQ-UHFFFAOYSA-N 392.503 4.091 0 1 GIAF CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1 14945079 VBDQMJNIWDFAKI-UHFFFAOYSA-N 388.518 4.297 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccc(OC(F)F)cc1 167311131 OPDJWYZBEUMZKV-CZUORRHYSA-N 391.414 4.415 0 1 GIAF Cc1cc(N2CC[C@@]3(CCN([C@@H](C)c4ccc5c(c4)OCCO5)C3)C2)cc(C)n1 1857604785 NYDMOOQKCUYFHM-YADARESESA-N 393.531 4.133 0 1 GIAF CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)NC[C@H](O)CC)c1 775198 XWZCHLWYNILWPH-OAHLLOKOSA-N 398.434 4.047 0 1 GIAF CC1=NC(C)=C(C(=O)OCCSc2ccccc2)[C@@H](C)[C@@H]1C(=O)OC(C)C 13294315 NYLPNIUHBUYLDD-KUHUBIRLSA-N 389.517 4.274 0 1 GIAF CCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc21 14974537 BXLMTLODNXDRBN-UHFFFAOYSA-N 391.913 4.018 0 1 GIAF CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4cccc(Cl)c4)oc23)CC1 25993663 NLILSXQJGJSOIA-UHFFFAOYSA-N 383.831 4.244 0 1 GIAF COC(=O)[C@@H]1CCC[C@H](Nc2[nH]nc3cccc(OCc4ccccc4)c23)C1 26728030 OLWDKMYRCUIZFF-SJORKVTESA-N 379.460 4.286 0 1 GIAF Cc1c(Cc2ccccc2)c2cc(S(=O)(=O)O)ccc2n1C(=O)c1ccco1 28121578 DLBNBYMBXUTRIR-UHFFFAOYSA-N 395.436 4.069 0 1 GIAF Cc1cc(-c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)ccn1 96168788 MXTJKUCQPPZLTN-UHFFFAOYSA-N 397.482 4.443 0 1 GIAF Cc1ccc(NC(=O)Nc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1C 101415719 IDNWZLJGGARSGN-BGYRXZFFSA-N 389.455 4.403 0 1 GIAF CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(C)cc3)cc2)c1OC 103275538 HEVORIOMZFDPJW-UHFFFAOYSA-N 379.460 4.022 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@@]4(C)[C@@H]3CC[C@@]12C 169713475 ARCONGNMKCTCRP-PDYFZDANSA-N 388.596 4.382 0 1 GIAF O=[S@](CCCc1nc2cc(F)c(F)cc2[nH]1)c1ccc(Br)cc1 586960855 QIZNJYPUGKLXFJ-HSZRJFAPSA-N 399.260 4.344 0 1 GIAF O=C1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)-c2ccccc2N1 586989632 MYASUMZXNPGMCT-UHFFFAOYSA-N 378.387 4.313 0 1 GIAF COc1ccc(C(=O)c2ccccc2-c2nc3nc(Cl)c[nH]c-3n2)cc1F 587144200 JDELNXUEVQYPKE-UHFFFAOYSA-N 382.782 4.004 0 1 GIAF CC[C@]1(c2ccc(OCCCCC(=O)O)cc2)CC(=O)c2cc(C)cc(N)c2O1 587400792 OTVVFYSNKCWYKQ-HSZRJFAPSA-N 397.471 4.482 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1c(F)cc(F)cc1F)[C@@H](C2)C3=O 587422254 CNROHBDVOFBMAX-OYHNWAKOSA-N 397.352 4.199 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1occc1Br 587540591 PMVJPAAULSIMKX-RDTXWAMCSA-N 387.185 4.451 0 1 GIAF C[C@]1(C(=O)c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572978 UHYDBQMXXZGLNJ-AVRDEDQJSA-N 378.355 4.135 0 1 GIAF O=C(CCc1cccnc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655652 CLZYLKSCUAUHGC-UHFFFAOYSA-N 391.377 4.010 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)N1 587751186 WUCRKPCVTLEGHG-IQMDTDKHSA-N 387.293 4.077 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccn2)N1 587757794 VYKBBIKCGFBSET-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF CCCCC[C@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798624 PPSWQIPKSVRXKP-SGTLLEGYSA-N 386.305 4.461 0 1 GIAF Cc1nc2sccn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587856612 OAUJGUIRCPTKJQ-RMLUDKJBSA-N 380.286 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3nsnc3c2)N1 587858856 UTNBKVYOASLLRK-BCTVWOGZSA-N 378.270 4.217 0 1 GIAF CNC[C@@H](Cc1ccccc1)N1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 653918476 FUBLUDZVNNQZEI-SYQRAZLKSA-N 395.635 4.041 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962710033 PBPCOIMGLTWFDG-CHOVKTHHSA-N 391.552 4.384 0 1 GIAF CCCOc1ccc([C@]2(c3cccc(OC)n3)NCCc3ccc(O)cc32)cc1 963329664 QKPWRFPBQIMEDA-DEOSSOPVSA-N 390.483 4.022 0 1 GIAF C[C@@H](c1ccc(F)cc1)N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc21 1772651564 KWJOTUQSCIOUKF-ZDUSSCGKSA-N 377.423 4.140 0 1 GIAF Clc1ccc2nc(N3CCCCCC3)nc(N=c3cc(C4CC4)[nH][nH]3)c2c1 1857635328 MYUNZVDJOMININ-UHFFFAOYSA-N 382.899 4.430 0 1 GIAF CCCC[C@H](C)C(=O)CC[C@@H]1[C@H](OC(=O)c2ccccc2)C[C@@H]2OC(=O)C[C@@H]21 2356348068 XVOWNKMWUOVSAO-SQFBREILSA-N 386.488 4.339 0 1 GIAF Cn1c(-c2ncc(F)cc2F)cc2onc(-c3c(F)cccc3Cl)c2c1=O 61959471 SQJNNIVWWXSCAH-UHFFFAOYSA-N 391.736 4.326 0 3 GIAF CCCCNC(=O)c1nc(C2CCNCC2)[nH]c1-c1cccc(C(F)(F)F)c1 95566394 SMOJNQBKDATCCI-UHFFFAOYSA-N 394.441 4.092 0 3 GIAF CC(C)N(C[C@@H](O)COc1ccccc1[C@@H](O)CCc1ccccc1)C(C)C 13529055 DNWOJSUBWJDTES-GGAORHGYSA-N 385.548 4.211 0 1 GIAF CC(C)(C)NC(=O)[C@@H]1CC[C@H]2[C@]3(C)CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 26573780 TZGIZZLIODQXPC-ZNIHFLCUSA-N 386.580 4.205 0 1 GIAF CO[C@@H](C)C(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@@H]1C 26735664 ZKHJYMVGYOEDCF-JTAQYXEDSA-N 380.532 4.008 0 1 GIAF COc1cccc([C@H]2Sc3ccccc3N2C(C)=O)c1OCCCN(C)C 28015199 BFCSLYSEETZFDH-OAQYLSRUSA-N 386.517 4.183 0 1 GIAF COC(=O)[C@@]1(c2ccc(C)cc2)C[C@@H]1CN1CCC(Cc2ccccc2)CC1 28634990 GOIBXJYEIIEIPH-ILBGXUMGSA-N 377.528 4.380 0 1 GIAF CN(C)c1cccc([C@@H](O)c2nnc(Nc3ccc(F)c(Cl)c3)s2)c1 82083102 PAHZLFMTAWSWTN-OAHLLOKOSA-N 378.860 4.222 0 1 GIAF Cc1ccc([C@@](CC[C@@H](N)C(=O)O)(c2ccccc2)c2cccc(O)c2)cc1 95580989 IWSYHPMWULTFDC-ISKFKSNPSA-N 375.468 4.227 0 1 GIAF CC[C@H](C)[C@H](N)C(=O)N[C@H](C)P(=O)(Oc1ccccc1)Oc1ccccc1 96167874 PTFZMXAQQHCHMG-BXWFABGCSA-N 390.420 4.173 0 1 GIAF COc1ccc([C@@H]2CC(c3ccc(OC)c(OC)c3)=Cc3n[nH]c(O)c32)cc1 103182851 WXIDBFRFFXVLQP-KRWDZBQOSA-N 378.428 4.217 0 1 GIAF CC(C)C[C@H]1CN(C(=O)/C=C/c2ccccc2Cl)[C@@H](CC(C)C)C(=O)N1 103267093 IEWRMFLFEVEIIQ-TXLWSROUSA-N 376.928 4.141 0 1 GIAF Cc1cc(=O)c(-c2nnc(Nc3ccccc3F)o2)nn1-c1ccc(Cl)cc1 103286449 JPYXTCZKEXKSTG-UHFFFAOYSA-N 397.797 4.127 0 1 GIAF O=C1OC[C@@H](c2ccc(C3CCC(O)CC3)cc2)N1c1ccc2[nH]cnc2c1 116196102 UHIWZRXMRYDNOR-RVAKQSJFSA-N 377.444 4.279 0 1 GIAF Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@@H]3C2)c1 116825601 VCISZKSRTCANSE-ROUUACIJSA-N 389.524 4.327 0 1 GIAF CCCCCOc1ccc(C(=O)NCC(=O)N[C@@H]2CCCc3ccccc32)cc1 139455356 QCSXRLHSSKGPPE-JOCHJYFZSA-N 394.515 4.179 0 1 GIAF NC(=O)c1nn(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c2ccccc12 146802844 CUIATQWCAXYORQ-UHFFFAOYSA-N 398.344 4.331 0 1 GIAF COC(=O)[C@H]1[C@H](c2ccc(-c3ccc(C(C)=O)cc3)cc2)C[C@H]2CC[C@H]1N2C 253634203 QOGDDOWLBRAWFT-ACESQOTJSA-N 377.484 4.296 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NC[C@@H](O)CC 299881476 OBLYCLPDAJCETL-GDIGMMSISA-N 398.906 4.380 0 1 GIAF Fc1cc(F)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 587001577 DZKPZHVNHVOMEB-UHFFFAOYSA-N 377.192 4.196 0 1 GIAF Oc1ncnc2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587072166 WRFJKXILQFUTRZ-RMKNXTFCSA-N 378.819 4.461 0 1 GIAF CCOC(=O)c1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1 587074032 PDCULRREONYJFI-UHFFFAOYSA-N 395.850 4.008 0 1 GIAF FC(F)(F)Oc1cc(Br)cc2nc(-c3cnc(Cl)nc3)[nH]c12 587086263 ZUDLHGPZNNQYMZ-UHFFFAOYSA-N 393.550 4.334 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(CCO)cc2[nH]1 587189984 FQFAAXJUSBKUIX-LJQANCHMSA-N 381.476 4.054 0 1 GIAF CCOC(=O)[C@H](C(C)C)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587401761 XWOJYSOIMVPMGZ-NZQKXSOJSA-N 381.472 4.273 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1CC=CC[C@H]1C(=O)O)O2 587405543 XMVRBWBYVPYHHE-UQNRQAKVSA-N 377.440 4.105 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc4ccc(Br)cc4n1)[C@@H](C2)C3=O 587417467 KXHHFPKSTHAVEE-VBKZILBWSA-N 396.240 4.495 0 1 GIAF O=C(O)COc1ccc(Cl)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500680 NAWLOZMFNHPCQZ-LJQANCHMSA-N 386.831 4.389 0 1 GIAF CC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2C1 587511922 AURUPHRFMJTROQ-DEOSSOPVSA-N 375.468 4.178 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cncc2c(Cl)n[nH]c12 587550730 BQNOBVCOHWGXKP-HNAYVOBHSA-N 393.786 4.020 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1cccnc1-c1ncccc12 587587479 NYVMSLMGMRQFKZ-LJQANCHMSA-N 394.386 4.068 0 1 GIAF COCCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587597215 QCMBMJYZQQXBPS-REWPJTCUSA-N 392.407 4.120 0 1 GIAF CN(C)CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613709 PTKSUYKFTRGTLH-KNQAVFIVSA-N 395.480 4.263 0 1 GIAF CC(=O)Nc1ccsc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614385 SEIPDRIAAPRUNN-APWZRJJASA-N 381.409 4.115 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccccc2Cl)N1 587694880 IJKFQUFPLUXGAB-VVVCHXIZSA-N 398.659 4.104 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2=COCC2)(C(F)(F)Cl)N1 587706648 RKLNAKAZNWJJBF-CLAHSXSESA-N 396.634 4.454 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2C(=O)C(F)(F)F)N1 587709275 JXPKNDMLXNECOT-UYNUJQBQSA-N 394.206 4.249 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CCC(=O)[C@@]3(C)CC2)N1 587819877 WWIBUNIVRHWJRW-VMKIBOBSSA-N 378.285 4.407 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CCC(=O)O)c2)N1 587827262 KDFOHNZEBJHVAR-JEOXALJRSA-N 392.268 4.229 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)NC1CCCCC1 587869289 GIGIWRGEHRFGJS-UHFFFAOYSA-N 384.427 4.028 0 1 GIAF CC(C)(CC(=O)O)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587954861 BPJWEJMEUAOKFN-UHFFFAOYSA-N 379.176 4.388 0 1 GIAF O=C(NCCc1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccncc3)c2c1 653850143 FDTTYANWYFTIKI-UHFFFAOYSA-N 376.847 4.251 0 1 GIAF COc1cc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)cc(F)c1OC 961618211 YMGWUSAJGISYKX-KRWDZBQOSA-N 392.268 4.373 0 1 GIAF COc1cc2c(cc1OC)[C@]1(CCN(Cc3ccccc3)C[C@@H]1C)N(C)[C@H](C)C2 962563449 GHFYYWZDNGNBIY-OSWQYVSFSA-N 394.559 4.318 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CNC1CCCC1)c1ccc(F)cc1 963634099 JDAYCDFNBSECSD-UPCLLVRISA-N 398.522 4.153 0 1 GIAF CCCCNC(=O)c1cccnc1Nc1nc(-c2ccccc2)cc2nccn12 1772597559 SWLPQKYFHDGYAV-UHFFFAOYSA-N 386.459 4.065 0 1 GIAF CCCN(CCCCOc1ccn2nccc2c1)[C@H]1CCc2c(O)cccc2C1 1772604151 IWAHIMCMPBOXKG-FQEVSTJZSA-N 393.531 4.468 0 1 GIAF Cc1ccc(Cn2cc(CN=c3c4c([nH]c5ccccc35)CCCC4)nn2)cc1 1772642842 LRTXOYQPPVNEBJ-UHFFFAOYSA-N 383.499 4.096 0 1 GIAF COc1ccc2nc(NC(=O)c3ccc([C@@H](O)c4ccccn4)cc3)sc2c1 1911572133 NEGZXHWGOCEDFT-LJQANCHMSA-N 391.452 4.034 0 1 GIAF O=C1[C@H]2C[C@@H](CN2Cc2cccc(Cl)c2)Oc2ccccc2N1CC1CC1 2356299491 IWKLKZZDQVWDFS-AZUAARDMSA-N 382.891 4.119 0 1 GIAF CC(C)[C@@H](N)c1csc(Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)n1 61902583 KKWDPBFVYKZAFG-LJQANCHMSA-N 395.532 4.210 0 3 GIAF COC(=O)N1Cc2ccnnc2C[C@@H]1c1ccccc1-c1ccc(OC)cc1 199734999 TVHNTFBKPKHPPW-OAQYLSRUSA-N 375.428 4.018 0 3 GIAF CC1=C(n2c(=O)c(-c3ccccc3)nc3ccccc32)C(=O)Nc2ccccc2N1 206062734 XWROKCPBOXYERB-UHFFFAOYSA-N 394.434 4.316 0 3 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@]32O)C1 2356450524 XMMWYJKJRBYBKW-NAVIBDNMSA-N 376.537 4.281 0 1 GIAF CCOC(=O)[C@@H]1CCCN([C@@H](c2ccccn2)c2c(C)[nH]c3ccccc23)C1 3235288 FPXBSNFPTGKXLT-VGSWGCGISA-N 377.488 4.236 0 3 GIAF COc1cccc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)Cc2ccccc2)c1 6483910 KJLLWYMQZCLADK-IBGZPJMESA-N 392.484 4.266 0 1 GIAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2nc(C)c(Cl)c2C)CC1 117313209 JRBVOUREXIRPPY-FZNQNYSPSA-N 395.334 4.499 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@@]4(C)[C@@H]3CC[C@]12C 26399214 ARCONGNMKCTCRP-ZLYPYOQPSA-N 388.596 4.382 0 1 GIAF CNCCc1ccc(Nc2ncc(Cl)c(-c3ccc(C(C)(C)N)cc3)n2)cc1 28821329 VZLVPTSUFJDRRQ-UHFFFAOYSA-N 395.938 4.496 0 1 GIAF COc1ccc2nc(-c3ccc(N)cc3I)sc2c1 27087705 HGTDPBBKIZWTIH-UHFFFAOYSA-N 382.226 4.159 0 1 GIAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)C3=C(C)[C@H]([C@]4(C)CCCC(C)(C)C4)CC[C@@H]1[C@@H]32 2356790601 FTKZQDPLZKVCTJ-BQJYJDKGSA-N 376.493 4.354 0 1 GIAF COc1ccc(CCNc2cc(-c3ccc(C(C)=O)cc3)nc(OC)n2)cc1 66099883 KVUBQMZZSUGHGH-UHFFFAOYSA-N 377.444 4.018 0 1 GIAF CCOC(=O)C1=CC[C@@H](c2ccccc2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C 34131473 VCRVILSPQKDDKK-UWJYYQICSA-N 399.512 4.009 0 3 GIAF CCNC(=O)Nc1ccc2c(c1)CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C 45370120 VOTBDUBBSJTEPA-PZJWPPBQSA-N 399.922 4.122 0 1 GIAF COc1ccc2nc(/C(=C3/C(=O)Nc4ccc(N)cc43)c3ccccc3)[nH]c2c1 84741054 QWWZHEAIYHIEKN-QZQOTICOSA-N 382.423 4.065 0 1 GIAF CC(C)c1nc2c(NCc3cccc(Cl)c3)ncnc2n1C[C@H]1CCCO1 82181343 OHNJKKSCPZDGGL-MRXNPFEDSA-N 385.899 4.394 0 1 GIAF Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1nnc1cc(Cl)c(F)cc12 95560256 NJRCYTMBXLWFAO-UHFFFAOYSA-N 375.190 4.422 0 1 GIAF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(CO)CO 299838013 PXWMQCOMXORBMF-JLNKQSITSA-N 375.553 4.378 0 1 GIAF CSc1nn2cc(-c3nc4c(OCc5ccncc5)cccc4o3)nc2s1 653769217 HNZZMPVPPWNWBR-UHFFFAOYSA-N 395.469 4.295 0 1 GIAF COc1ccc(CC(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC 653771305 AVMRAMOQHCHFBI-UHFFFAOYSA-N 386.419 4.461 0 1 GIAF CN(C)/C=C1\C[C@@H](NC(=O)OC(C)(C)C)Cc2c1nc1cccc3c1c2CC3 587211797 WSARYNGOCUIUDA-QJPKHSJYSA-N 379.504 4.075 0 1 GIAF Cc1nccc2[nH]c(-c3ccccc3OCC(=O)Nc3ccccc3F)nc12 587154413 MVEXEJKYPYCBJW-UHFFFAOYSA-N 376.391 4.090 0 1 GIAF FC(F)(F)c1nn(CCc2nc3cc4cn[nH]c4cc3[nH]2)c(C2CC2)c1Cl 587116595 IOKKSLSRMBCUCN-UHFFFAOYSA-N 394.788 4.428 0 1 GIAF CCn1cc([C@@]2(CC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587344191 WIMARBLUFCSPNJ-IFMALSPDSA-N 380.419 4.412 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(Br)cc(C)c1F)[C@@H](C2)C3=O 587423375 IWQLNHWEBPUVIT-SCLBCKFNSA-N 377.209 4.394 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccccn1)[C@@H](C2)C3=O 587420785 JCNOZKQZDIKGLM-JTSKRJEESA-N 377.827 4.435 0 1 GIAF Cc1cc(F)c2[nH]c(C[C@@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 587003383 KKKKNGUQUYDYQS-SNVBAGLBSA-N 389.224 4.408 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCN(C)C)(c2cccs2)N1 587850582 ZYRKHSFGPIHFOV-SGTLLEGYSA-N 397.357 4.379 0 1 GIAF O=S(=O)(c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1)C(F)(F)F 587149622 NWTVSBWGBZALMR-QHHAFSJGSA-N 388.317 4.305 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2cccnc2)N1 587771337 BWXGKOPSTSYSJW-ADLMAVQZSA-N 377.257 4.006 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ncnc2Cl)N1 587704161 IDZUUZLYEYTCJL-INWYIAFRSA-N 391.071 4.309 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(Br)cc(C)cc31)O2 587374071 WZFSXCWDEDAOTL-LJQANCHMSA-N 388.261 4.291 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)C2)N1 587769779 QEYHEOGOIPFKGY-VLIAUNLRSA-N 389.312 4.224 0 1 GIAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587950337 BIKLBHVBKGPSHI-AZOIQLNYSA-N 382.508 4.365 0 1 GIAF Brc1cnc(NCc2ccccc2)c(-c2nc3cnccc3[nH]2)c1 586999958 GSAFILHSULCMEX-UHFFFAOYSA-N 380.249 4.395 0 1 GIAF COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1O 587716859 KAKZAVUKMIKQCV-DYBLOJMWSA-N 398.247 4.239 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)c(Br)c1)[C@@H](C2)C3=O 587422408 DCAUIEFJRVPAQF-SGTLLEGYSA-N 377.209 4.260 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CCN(C)C(=O)OC(C)(C)C)CC2=O 587468823 KDDPEBANKDHHSS-NRFANRHFSA-N 377.481 4.326 0 1 GIAF Fc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1F 587003226 RCBSYLUPTIHHPY-UHFFFAOYSA-N 377.192 4.196 0 1 GIAF Cc1c(Br)cc2nc(-c3cccc(S(C)(=O)=O)c3)[nH]c2c1C 586926373 OCEAJRVNYJFBRV-UHFFFAOYSA-N 379.279 4.013 0 1 GIAF CCc1ccc(-c2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)cc1CC 586879916 UPWNQNOYNUCEAO-UHFFFAOYSA-N 385.533 4.385 0 1 GIAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587338675 UPANHJJBSGEWSG-SIKLNZKXSA-N 396.345 4.009 0 1 GIAF CC(=O)Nc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582025 YJFJGNFXXBJCNO-NFBKMPQASA-N 389.407 4.228 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-n2ccnc2)c1 587574781 BZNBXCUQERAQEQ-NFBKMPQASA-N 384.391 4.281 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(CCCc3nc(-c4ccccc4)sc32)N1 962906102 WZJTZMDMTWWSAG-JTSKRJEESA-N 394.471 4.128 0 1 GIAF CC(C)(C)[C@@H]1C=C(C(=O)O)[C@H](c2ccc(Cl)cc2)N1S(=O)(=O)C(C)(C)C 150230379 SXKCNKPVSSVWIP-HOTGVXAUSA-N 399.940 4.251 0 1 GIAF Nc1cccc(NC(=O)/C=C/c2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)c1 13761277 XFGMISWEMXSWDX-SNAWJCMRSA-N 390.226 4.407 0 1 GIAF COc1cc2c(c3ncccc13)NS(=O)(=O)c1ccc(C(F)(F)F)cc1-2 205635087 QGSFFQLCPCAWFF-UHFFFAOYSA-N 380.347 4.043 0 1 GIAF Cc1cc(-c2n[nH]c3c(Cl)c(NC(=O)NCc4ccccc4)ncc23)ccn1 205432487 NKUPIUKZPOHVNG-UHFFFAOYSA-N 392.850 4.303 0 1 GIAF COc1ccc(OC)c2c1C[C@H]1c3cc(Cc4nccs4)sc3CCN1C2 1857642105 APIRBGVMKBJBSB-KRWDZBQOSA-N 398.553 4.468 0 1 GIAF COC(=O)c1ccccc1[C@@H]1CN=N[C@]12Cc1c(C)c3c(c(C)c1C2=O)CCC3 5539848 LINJHLJVJTZHFG-GBXCKJPGSA-N 388.467 4.306 0 1 GIAF COc1c2c(c(OC)c3occc13)O[C@H](c1ccc3c(c1)OCO3)C[C@H]2OC 13376246 OWINHPGFEPOUFB-GOEBONIOSA-N 384.384 4.390 0 1 GIAF biogenic CCCC/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(Oc2ccc(OC)cc2)c1 13558163 HNDJDMFSMUMOJI-DTQAZKPQSA-N 396.443 4.204 0 1 GIAF COc1cc2c(cc1OC)CN(C(=O)[C@@H](Nc1ccccc1)C(C)(C)C)CC2 13588122 QMUHEOGCJOCLKU-OAQYLSRUSA-N 382.504 4.115 0 1 GIAF Cc1nn(-c2ccccn2)c2c1[C@H](c1ccncc1)[C@@H]1C(=O)CC(C)(C)CC1=N2 17511610 ZVJQHFOSOMZTIK-SFTDATJTSA-N 385.471 4.194 0 1 GIAF Fc1ccc(N2CCN(CCCCOc3cc4c(cc3F)CCC4)CC2)cc1 26567529 HOWBWFMTDDTTQR-UHFFFAOYSA-N 386.486 4.435 0 1 GIAF O=C(CCN1CCCCC1)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 40866605 ICIBQROZYPIRAW-UHFFFAOYSA-N 385.467 4.261 0 1 GIAF CCCCCc1cc(O)cc(OCCCCCCCCOC(CO)CO)c1 73196496 OSTNBXVEQLJJOM-UHFFFAOYSA-N 382.541 4.214 0 1 GIAF COCCn1c(-c2ccc(C)o2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185055 MAEOPWDXNUUNSH-UHFFFAOYSA-N 397.866 4.307 0 1 GIAF COc1ccc(O)c(C/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O)c1O 96933295 NSCCERMMAMCXJP-ZIJICOGKSA-N 378.509 4.234 0 1 GIAF O=c1c2ccccc2nc(/C=C(\O)c2ccncc2)n1-c1ccccc1Cl 100014165 IKKQGEAMUQYQMZ-UYRXBGFRSA-N 375.815 4.490 0 1 GIAF CC(C)(C)OC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169324989 NBHMWIWFTLXHNU-AYLPJJBHSA-N 375.553 4.466 0 1 GIAF Oc1nc2sccc2c(N[C@@H]2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 299830057 LWSORTKUYSYDMP-MRXNPFEDSA-N 391.500 4.051 0 1 GIAF C[C@H](Nc1ccnc2cc(Cl)ccc12)C(=O)N1CCN(c2ccccc2)CC1 299839077 PRFZUYXTOLKJGE-INIZCTEOSA-N 394.906 4.037 0 1 GIAF CNC(=O)[C@H]1CC[C@H](Nc2cc(O)nc3c(C)cc(-c4cncs4)cc23)CC1 299850593 BVXZLOGAKHSZND-CTYIDZIISA-N 396.516 4.089 0 1 GIAF O=[S@@](Cc1nc2c(Cl)ncnc2[nH]1)C(c1ccccc1)c1ccccc1 586957724 AWHGXZDRMIJKHK-SANMLTNESA-N 382.876 4.045 0 1 GIAF COc1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2n1 587032902 VOFBTFBCEYKHCH-UHFFFAOYSA-N 375.251 4.193 0 1 GIAF Cc1csc([C@](O)(Cc2nc3cc(C)c(Cl)cc3[nH]2)C(F)(F)F)n1 587092891 BMSHDEBXNPTKFF-CQSZACIVSA-N 375.803 4.282 0 1 GIAF CC(C)(C)OC(=O)N(Cc1nc2ccc3c(c2[nH]1)CCCC3)C[C@H]1CCCO1 587197635 QYLIKOSTRAPGNS-MRXNPFEDSA-N 385.508 4.358 0 1 GIAF COc1cc(-c2cc3c4c(cccc4n2)CC3)ccc1S(=O)(=O)C(F)F 587210865 XVAYPXCVRMSUSK-UHFFFAOYSA-N 375.396 4.005 0 1 GIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc(Br)c2[nH]1 587233861 WBMLSGDBQWGIOR-JQWIXIFHSA-N 380.286 4.486 0 1 GIAF O=C(c1cccc(Cl)c1F)c1c(CO)oc2cc(Br)cnc12 587276821 WRLKUCNYYMRSCW-UHFFFAOYSA-N 384.588 4.106 0 1 GIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CC(=O)NC[C@@H]32)c1 587362030 COUPGVLIUKKCSA-WMLDXEAASA-N 384.435 4.432 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(-c3cccc(Br)c3)[nH]1)O2 587370268 DFPYOIBBEWGLHW-QGZVFWFLSA-N 398.260 4.436 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c3nsnc13)O2 587412884 DQZJVJYPFAXZTR-ZDUSSCGKSA-N 390.262 4.051 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(C(=O)O)c1)[C@@H](C2)C3=O 587449899 JXXBGWNERWZAAU-YADARESESA-N 386.403 4.085 0 1 GIAF Cn1ncc2c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc21 587581199 KTBUNMZTRLCQRX-NZQKXSOJSA-N 386.407 4.156 0 1 GIAF CCCCOC(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594793 JEBBVBJWMCDKMI-DENIHFKCSA-N 384.428 4.236 0 1 GIAF CCOC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccc(Br)cc1 587632767 PAQVSWXNOXAKMI-UHFFFAOYSA-N 390.208 4.477 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C2CC2)(C(F)(F)F)N1 587706571 QTNAKNAIYOOJAM-VXJOIVPMSA-N 394.206 4.249 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccnn1CC 587860606 ZAMLMDIHZJFSTG-UHFFFAOYSA-N 379.247 4.161 0 1 GIAF O=C(c1ccc(Cn2cc(Cl)cn2)o1)n1nc2cc1Oc1ccc(F)cc1-2 587874355 WSKVNXZUCSIOJT-UHFFFAOYSA-N 384.754 3.975 0 1 GIAF Cc1ccc(-c2cccc(CO)c2)nc1C(=O)Nc1c(C)cc(C(=O)O)cc1C 653700727 PVLPFPFCFAXNQK-UHFFFAOYSA-N 390.439 4.117 0 1 GIAF COC(=O)c1ccc2c(c1)CCCC[C@]21NCC(C)(C)c2ccc3c(c21)OCO3 963391492 UXMWYIAXGUWUCK-DEOSSOPVSA-N 393.483 4.053 0 1 GIAF O=S(=O)(CCc1ccccc1)c1nc(-c2cccs2)cc(C(F)(F)F)n1 1772657721 CUFXDPKWUBCCPK-UHFFFAOYSA-N 398.431 4.240 0 1 GIAF CCCOc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1 1857595802 XOOKIZSOYFKJNE-UHFFFAOYSA-N 397.500 4.174 0 1 GIAF CC[C@@H](C)C(=O)OCC=Cc1c(OC)cc(OC(=O)[C@H](C)CC)cc1OC 2356491742 OBZBPIALARPOKZ-HUUCEWRRSA-N 378.465 4.258 0 1 GIAF COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2cccn2-c2cccnc2)C1 12449252 STOBCKHXIPHZIY-QGZVFWFLSA-N 393.462 4.115 0 3 GIAF O=C(NCc1ccccc1)[C@H]1CCCN(c2nc3ccccc3n3cccc23)C1 6782606 GXDVICUCVKCBQY-IBGZPJMESA-N 384.483 4.020 0 1 GIAF CCCNC(=O)OC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc(OC)cc1 7998341 CUSZSFLFHCIDTH-FKBYEOEOSA-N 397.471 4.275 0 1 GIAF CCCN1CCC(=O)N([C@@H](CSc2ccc(OC)cc2)CC(C)C)CC1 13830573 PVYOULLNPANYEZ-GOSISDBHSA-N 378.582 4.146 0 1 GIAF COc1cc(CN2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cc(OC)c1O 15066078 NFMUYGRNMUBNMY-MRXNPFEDSA-N 389.879 4.158 0 1 GIAF COC(=O)c1ccc(NC(=O)c2cnc3c(n2)C(C)(C)CC3(C)C)cc1Cl 26819682 DXPWVKGEXDQUIK-UHFFFAOYSA-N 387.867 4.128 0 1 GIAF COc1cccc(-c2c(-c3ccccc3)c(-c3ccccc3)nn(CCO)c2=O)c1 29204256 OMCPCDQVFTVLKL-UHFFFAOYSA-N 398.462 4.245 0 1 GIAF COc1ccc(N(C)S(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)cc1 34855149 HDRZQPJVAFPRGB-UHFFFAOYSA-N 393.468 4.064 0 1 GIAF C[C@@H]1c2c[nH]nc2-c2c(F)cccc2N1S(=O)(=O)c1ccc(Cl)cc1 45256352 WNBUTAKAWZSYIK-SNVBAGLBSA-N 377.828 4.139 0 1 GIAF COc1cc(OC)c2c(OC(=O)c3ccc(Br)cc3)ccnc2c1 45290224 HGFMHCDWSQMXRG-UHFFFAOYSA-N 388.217 4.234 0 1 GIAF CC(C)c1cc(CCCC[C@](O)(C(N)=O)C(F)(F)F)cc(C(C)C)c1O 45357155 XJXBCCBBJFTJDZ-SFHVURJKSA-N 375.431 4.131 0 1 GIAF COc1cccc(COc2cc(O)c3c(=O)c(O)c(-c4ccccc4)oc3c2)c1 64549514 GGBQHXNHYHZSJF-UHFFFAOYSA-N 390.391 4.459 0 1 GIAF CN(C)CCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12 72101836 MIMXQYGUXVIXGD-UHFFFAOYSA-N 375.451 4.176 0 1 GIAF COc1cc(N[C@@H](C)CCCNC(=O)OCC(F)(F)F)c2ncccc2c1 73219148 IJVVBAWOHUKRPF-LBPRGKRZSA-N 385.386 4.113 0 1 GIAF N=C(N)Nc1ccc(CCc2ccc(NC(=O)CCCCCCCN)cc2)cc1 95595220 LHHXKMWSPRWRBM-UHFFFAOYSA-N 395.551 4.015 0 1 GIAF Cc1cccc(O)c1[C@H](CC(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccc2c(c1)OCO2 95598117 WICRMNZBKVGVSE-TXPKVOOTSA-N 395.499 4.456 0 1 GIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3cc(C(F)(F)F)ccn3)C2)cc1 96172939 HFPRTXQOPYPPJI-CYBMUJFWSA-N 378.394 4.451 0 1 GIAF CCCc1sc(-c2ccc(F)cc2)nc1CSc1nc(N)cc(N)n1 96283878 GMNPWJZAPHFRPQ-UHFFFAOYSA-N 375.498 4.148 0 1 GIAF CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)CC[C@@H]1CCCN1 114100735 ABLDVVNJTBLJAP-KRWDZBQOSA-N 394.943 4.018 0 1 GIAF CC(C)OC(=O)/C=C\n1cnc(-c2cc(OC(C)C)cc(C(F)(F)F)c2)n1 115888694 DEDQCKRCFDIKKK-WAYWQWQTSA-N 383.370 4.173 0 1 GIAF N#Cc1ccc(Oc2ccc(-n3cc(C[C@@H](O)CO)c4ccccc43)cc2)cc1 146664819 DDBQOPSHFXNCCG-HXUWFJFHSA-N 384.435 4.190 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(OCCF)c1 167102636 MWNFJPWQSWLDKS-YJBOKZPZSA-N 387.451 4.162 0 1 GIAF NC[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 253639151 PYQLLIPYNDWNOP-XVDXERDNSA-N 399.890 4.436 0 1 GIAF COC(=O)c1ccnc2[nH]c(-c3ccccc3C(=O)c3cc(C)ccc3C)nc12 586882420 SGMWXMSPBVTOBS-UHFFFAOYSA-N 385.423 4.259 0 1 GIAF O=C1COc2ccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cc2N1 586989432 IQCULDVPPZZCHE-UHFFFAOYSA-N 394.386 4.150 0 1 GIAF Cc1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1C 586999468 BNFQSHRXGBEMQF-UHFFFAOYSA-N 385.217 4.421 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(F)c(Br)c2[nH]1 587043487 RKYJJUFEYXILID-SNVBAGLBSA-N 386.290 4.085 0 1 GIAF Cc1cc(C)c2nc(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)[nH]c2c1 587123684 GENRFULFYNLYPB-UHFFFAOYSA-N 383.395 4.417 0 1 GIAF Oc1nc2cc3nc(-c4cc(Cl)c(Br)cc4F)[nH]c3cc2[nH]1 587137783 LEARWHNHYABUHI-UHFFFAOYSA-N 381.592 4.367 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc4c(cc3nc1Cl)OCO4)O2 587379545 JGIWLKPFGWDIGU-INIZCTEOSA-N 382.803 4.214 0 1 GIAF CC(=O)Nc1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587508787 BTPUSIAOTAGKAX-HSZRJFAPSA-N 377.440 4.167 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]2C1 587518785 PRLPSEYEGQDGJE-FMKFIRIRSA-N 383.488 4.156 0 1 GIAF CCOC(=O)C1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCC1 587592650 BJDLEBUGQBYYNR-GCJKJVERSA-N 396.439 4.236 0 1 GIAF CC1(C)C[C@]2(CC[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587607441 IOFOTBHXHWXJIZ-UVQUFPMPSA-N 382.412 4.004 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2snnc2c1 587617869 LKKYTLSOZXSKPB-PXNSSMCTSA-N 376.393 4.100 0 1 GIAF Cc1cc(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc(C)c1Cl 587651758 YIJDSEGOUDBYQM-LBPRGKRZSA-N 391.254 4.428 0 1 GIAF CC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587745883 XMBBFIILCIYARZ-JEOXALJRSA-N 391.284 4.344 0 1 GIAF COc1ncc(C)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587766378 GBVJYUGFIBMIMV-ADLMAVQZSA-N 379.273 4.098 0 1 GIAF CC[C@@]1(c2ccc(O)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587807344 NCJBQIKMMPDFDE-WYRIXSBYSA-N 394.284 4.490 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nsnc23)N1 587859650 YBEDYGXAAVMIGR-GLEZIHRCSA-N 378.270 4.217 0 1 GIAF COC(=O)c1cc(OC)n(-c2ccc(Oc3ccc(F)cc3)c(F)c2)c1OC 587944859 IYIYPIHVBKIECV-UHFFFAOYSA-N 389.354 4.352 0 1 GIAF C[C@H](CCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)CC(=O)O 587962344 DYSWXSWIMDBDQU-SSDOTTSWSA-N 379.176 4.388 0 1 GIAF COc1ccccc1[C@@]1(C[C@H]2CC[C@@H](C(=O)O)CC2)NCCc2c(C)ccnc21 963064461 AJWJDDBVXGVLGM-NXMSCROESA-N 394.515 4.069 0 1 GIAF COc1cccc(C2=C[C@@H](c3ccc(Br)cc3)NC(=S)N2)c1 1772577675 JVDAHZUNKRHREB-HNNXBMFYSA-N 375.291 4.018 0 1 GIAF COc1cc(C(=O)NCCc2cccc(C(F)(F)F)c2)ccc1-c1cn[nH]c1 1772625919 GZWZWHDONMXYLT-UHFFFAOYSA-N 389.377 4.077 0 1 GIAF O=C(c1ccc(F)cc1)N1N=C(c2ccc(F)cc2)C[C@@]1(O)c1ccc(F)cc1 1857775244 DCDYCJKMEFXZIM-JOCHJYFZSA-N 396.368 4.199 0 1 GIAF COc1ccccc1CNc1nc2cc(-c3ccsc3)sc2c(=O)n1C 61904009 NQSZCGJWQOTCJO-UHFFFAOYSA-N 383.498 4.344 0 3 GIAF O=C(NC1CCN(CC2CCCCC2)CC1)[C@@](O)(c1ccccc1)C1CCCC1 840141 OSKBHMKTWRTXFP-RUZDIDTESA-N 398.591 4.225 0 1 GIAF Cc1nn([C@H](C)C(=O)NCCC2=CCCCC2)c(=O)c2c1sc1ccccc12 6799165 HHCHTWFQZMBPRN-OAHLLOKOSA-N 395.528 4.487 0 1 GIAF Cc1nn(CCCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c(=O)c2c1sc1ccccc12 6799389 HJCOJGFQNMDDHB-GASCZTMLSA-N 397.544 4.204 0 1 GIAF COc1ccccc1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1 28478284 KRXXWCRTJNHVAY-CYVLTUHYSA-N 389.407 4.343 0 1 GIAF CC(C)C/C=C1/C[C@](CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O 28704350 QVOXHUHSSXCOAL-ALPFBALHSA-N 382.541 4.279 0 1 GIAF CCc1ccccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1 34602346 YGAQRPQJHWAPQJ-FQEVSTJZSA-N 377.488 4.212 0 1 GIAF CCCCN1CCc2cc(OC)c(OC)c3c2[C@H]1Cc1cc2c(cc1-3)OCO2 72118897 KYGNMEFUIYHKAE-QGZVFWFLSA-N 381.472 4.355 0 1 GIAF O=C(NCC(F)(F)F)[C@@H]1CCCN1c1nc(-c2ccc(Cl)s2)cs1 82195963 ZOTOJTQSONQBDQ-VIFPVBQESA-N 395.859 4.172 0 1 GIAF COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 98084661 PMMRBDRYCOJUPT-XDLOIZJZSA-N 375.553 4.275 0 1 GIAF COc1cc(-c2nn(CNc3ccccc3C)c(=S)o2)cc(OC)c1OC 103228941 RGGTWIJOSXHWDT-UHFFFAOYSA-N 387.461 4.276 0 1 GIAF COc1ccccc1N1C(=O)CS[C@@H]1c1cccc(C(=O)N2CCCCC2)c1 169342685 BKRHIBBUYIEXLF-JOCHJYFZSA-N 396.512 4.100 0 1 GIAF COC(=O)C[C@H]1[C@@H]2C[C@H](Cc3ccccc3)[C@@H](C[C@H]1Cc1ccccc1)N2C 195314222 XXQUTIIQIQULCG-HUUMMWPTSA-N 377.528 4.360 0 1 GIAF COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccn[nH]1 205914547 TYKXSVBCYRICIS-UHFFFAOYSA-N 377.322 4.236 0 1 GIAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ccc(F)cc3F)C[C@H]2CS1 221036827 VVSJLGZJUHEZGY-APTWFODQSA-N 396.409 4.278 0 1 GIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1)C1CCCCC1 261189930 YTCKKBCNMLERKG-GFCCVEGCSA-N 382.443 4.249 0 1 GIAF FC(F)(F)Oc1cc(Br)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 587086099 RXPXRVMTWXORJH-UHFFFAOYSA-N 393.550 4.334 0 1 GIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cncc(Cl)c2[nH]1 587114288 YMPJNBMIMPJCOD-INIZCTEOSA-N 382.773 4.030 0 1 GIAF COc1cc(OC)c2[nH]c(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)nc2c1 587120763 URZGZOJNRZBTAT-UHFFFAOYSA-N 380.248 4.008 0 1 GIAF CN(C)CCOc1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136005 JSZTWCZSDPULRX-UHFFFAOYSA-N 396.235 4.211 0 1 GIAF COc1cncc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc12 587144287 HOUOSMVOCKPGDM-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF CN(C)c1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)nc1 587194756 NKRSKEQUUUDGFE-UHFFFAOYSA-N 385.187 4.472 0 1 GIAF COc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1OC 587226795 SWJWDOJWLIIRCJ-QGZVFWFLSA-N 375.469 4.336 0 1 GIAF COc1cc2c3c(c1)O[C@](C[C@H](C)C(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587418481 BKBDDAYBNHQQKE-SBOBAANCSA-N 386.831 4.102 0 1 GIAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC(C)=O 587522620 GCYQCALCLRUVMG-QHCPKHFHSA-N 380.440 4.380 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccccc2)no1 587585547 FYIFCRRLPYERRZ-FXAWDEMLSA-N 386.363 4.145 0 1 GIAF COc1ccc2c(c1)NCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587791650 GWFRWCHUOGMRCJ-JEOXALJRSA-N 391.284 4.190 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(F)(F)Oc1ccccc1 587870782 IUWAOTCTYCOEHT-UHFFFAOYSA-N 376.334 4.400 0 1 GIAF O=C(Nc1ncnc2[nH]cnc12)c1ccc(-c2cccc(-n3cccc3)c2)cc1 653795758 DSYKAXVSNARMGM-UHFFFAOYSA-N 380.411 4.063 0 1 GIAF CCCC[C@@]1(CCC(=O)OCC)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962566938 JMAFCZWIGMWFBF-KSFYIVLOSA-N 377.525 4.309 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@H](c3cc(Cl)ccc3Br)c3cccc1c32 963031875 OXOKTEUTMUEZCR-MGNBDDOMSA-N 391.696 4.245 0 1 GIAF C=C(Br)C(=O)Nc1ccc2c(c1)/C(=C/c1sccc1C)C(=O)N2 1772601176 LHQNNTYMWANJKA-JYRVWZFOSA-N 389.274 4.396 0 1 GIAF CC(=O)OCC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(CO)=CCC[C@@H]21 2356611255 QLAXVEYAEFYWTR-BDRMCPCVSA-N 378.509 4.112 0 1 GIAF O=C1C[C@H](O)C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 2356695822 XZGQELXAZMAZCD-DHIUTWEWSA-N 388.463 4.062 0 1 GIAF CCCCCCC1=NOC[C@@]1(C)C(=O)NCc1ccccc1Br 4214795 NSTNWCSKAVDCNP-GOSISDBHSA-N 381.314 4.428 0 1 GIAF CC(C)c1cccc(C(C)C)c1OC(=O)NC(=O)SCCN1CCOCC1 13738036 JVUSQNPRNBMEIQ-UHFFFAOYSA-N 394.537 4.207 0 1 GIAF COc1cc(Cl)ccc1N1CCN(CCC(=O)c2cc(C)sc2C)CC1 13861785 PMOAAZYLLIDTKY-UHFFFAOYSA-N 392.952 4.422 0 1 GIAF CC(C)(C)c1cc(C(=O)NC2CC2)c(NC(=O)Nc2ccc3[nH]ncc3c2)s1 66058794 CKEFKLKYCNGDMN-UHFFFAOYSA-N 397.504 4.458 0 1 GIAF O=C(Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12)c1ccco1 95583651 XMKAPKONJGDUHQ-UHFFFAOYSA-N 381.395 4.328 0 1 GIAF COc1ccc([C@@H](Cc2cccc(Br)c2)c2cn(C)c(N)n2)cc1 96168396 WMWMOBHMDLLMAB-QGZVFWFLSA-N 386.293 4.148 0 1 GIAF C[C@H](O)[C@@H](C)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 103303283 MAUKISZQMSQDOJ-CVEARBPZSA-N 393.453 4.472 0 1 GIAF C[C@@H]1[C@H](c2ccc3c(c2)OCO3)c2cc3c(cc2O[C@H]1N1CCCCC1)OCO3 105518548 BZKPASBEIZXLFA-BQKRCXSJSA-N 395.455 4.116 0 1 GIAF O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2c(F)cccc2F)O1 148709139 QXEDAJIHJMNCKU-NHCUHLMSSA-N 376.362 4.282 0 1 GIAF COc1cc(O)c([C@H](CC(=O)N2C[C@H](C)C[C@@H](C)C2)c2ccccc2)c(OC)c1 169296680 XYQSATKYRXNKIT-MBOZVWFJSA-N 397.515 4.436 0 1 GIAF CC(C)(C)c1cc(I)c2c(c1)CN[C@]1(O2)C2C[C@@H]3C1[C@H]3C2 169332027 PWTLQRKEHUPYSI-JVPHLLPZSA-N 395.284 4.053 0 1 GIAF CCN(CC)C(=O)[C@H]1C(C)=Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 169720763 UGWDMNQJEJSHLO-IRXDYDNUSA-N 379.291 4.370 0 1 GIAF COc1cc(O)c2c(=O)c3c(oc2c1)-c1cc(O)c(OC)cc1O[C@H]3C=C(C)C 205995761 KZYGOCHPUBSZIE-KRWDZBQOSA-N 396.395 4.288 0 1 GIAF COc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cnc2ccccc2c1 220897125 HZMIGXHURLBNOL-UHFFFAOYSA-N 382.363 4.063 0 1 GIAF COC(=O)C[C@@H]1[C@H](Cc2ccccc2)C[C@H]2[C@H](Cc3ccccc3)C[C@H]1N2C 253794820 XXQUTIIQIQULCG-ZSXJVMONSA-N 377.528 4.360 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@]34CCOc3ccc(OC)cc34)nc2c1 586917263 RVVOJPFRHSSLGT-QKKBWIMNSA-N 398.846 4.219 0 1 GIAF Cc1cc(Br)cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 586924984 DKHFSDPDKVUJJK-BQYQJAHWSA-N 377.263 4.078 0 1 GIAF COC(=O)c1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2n1 587067763 OGZVXBITVMWFPL-UHFFFAOYSA-N 393.830 4.224 0 1 GIAF CCOc1ccccc1[C@](N)(c1nc2cc(OC)c(Cl)cc2[nH]1)C(F)(F)F 587092398 LXRYAUYHRNRVET-KRWDZBQOSA-N 399.800 4.388 0 1 GIAF CC1=C(c2ccc3nc([C@H](C)CSc4ccc(F)cc4)[nH]c3c2)NNC(=O)C1 587171603 PSJUHYVNAQOWBH-CYBMUJFWSA-N 396.491 4.353 0 1 GIAF Cc1cc2[nH]c(-c3cc(I)ccc3Cl)nc2c(C)n1 587182461 GGOUCTIOUPJZLR-UHFFFAOYSA-N 383.620 4.500 0 1 GIAF Cc1cc(Cl)cc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 587235399 LCKGDEYDVSWKJS-UHFFFAOYSA-N 377.872 4.388 0 1 GIAF COc1cccc(NC(=O)C(C)(C)C)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587388093 WCKKUVMDXDCMQB-GOSISDBHSA-N 382.460 4.277 0 1 GIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCCCC1 587398407 GLPGDXWMEIADOB-JOCHJYFZSA-N 380.488 4.278 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1c[nH]c4ccccc14)[C@@H](C2)C3=O 587437494 GBXBFUZITICLEV-MHECFPHRSA-N 382.419 4.263 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(N)cccc21 587468047 AFOKKNWLLVKVOO-RUZDIDTESA-N 399.446 4.380 0 1 GIAF CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2cccc(F)c12 587636847 LPCWZOHTJIRTKC-LBPRGKRZSA-N 376.428 4.208 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccco3)n(C)n2)N1 587763538 JXPGKPCIMAVIGN-MLCYQJTMSA-N 390.256 4.205 0 1 GIAF CCOc1ccc(OCC)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587778086 IXBHEKTYQRGMMN-UHFFFAOYSA-N 386.761 4.441 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2/C=C/C(=O)O)N1 587828265 ODZGRCSOUMYGLK-VUAIWLPDSA-N 390.252 4.310 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(C[C@@H](C)O)c2)N1 587835100 UXVJBNURKMFENP-AVCJSFLBSA-N 378.285 4.135 0 1 GIAF COc1cccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 587861627 ANYCFGQCMUXLAI-UHFFFAOYSA-N 376.334 4.275 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1C(N)=O 587865770 IFDLZGAUBYOWCE-UHFFFAOYSA-N 375.350 4.056 0 1 GIAF Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874328 VGJFFFSNNOFPER-VIFPVBQESA-N 380.301 4.220 0 1 GIAF CON/C=C/[C@]1(c2ccc(OC)cc2)NCCc2cccc(-c3ccccc3)c21 962667518 OKLHVIVBRHBCRY-QQDPUAARSA-N 386.495 4.416 0 1 GIAF COc1cccc(-c2ncc([C@@H]3c4c(F)cccc4C[C@@H]4CCCN43)cn2)c1 963098067 FXAWTKDHZAWMNJ-PGRDOPGGSA-N 375.447 4.401 0 1 GIAF Cn1c(NCCc2ccc(OC(F)(F)F)cc2)nc2cc(Cl)ccc2c1=O 1772639844 LVJCHQREAKHHRK-UHFFFAOYSA-N 397.784 4.140 0 1 GIAF COc1ccccc1OCCNC[C@@H](O)c1cccc2[nH]c3ccccc3c12 1857551842 MXJRVEPRXNSZKO-HXUWFJFHSA-N 376.456 4.032 0 1 GIAF COc1cc(Br)ccc1O[C@H](C)Cn1cc(-c2ccccc2)nn1 1857608807 LYPNLYWHJSGTPJ-CYBMUJFWSA-N 388.265 4.184 0 1 GIAF COC(=O)[C@]1(C=C2c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 1857622822 VVOONWVRIYRRAY-SWZXDDLYSA-N 380.415 4.264 0 1 GIAF CC(=O)OCC=C(C)CC[C@]1(C)[C@H](C)C[C@H](O)[C@]2(C)C(C(=O)O)=CCC[C@@H]21 2356580682 VESVIOLXNFMXSV-RYQXAFMISA-N 378.509 4.110 0 1 GIAF CCOc1ccccc1NC(=O)N1CCC[C@H](c2nc(-c3ccc(C)o3)no2)C1 1364804 IEJLOKQKPHGHGT-HNNXBMFYSA-N 396.447 4.448 0 3 GIAF COc1ccc(-c2ccc3c(c2)COCC(=O)N3Cc2ccccc2)cc1OC 205207892 BKZDSDDDFFRDAW-UHFFFAOYSA-N 389.451 4.434 0 3 GIAF C[C@H]1Nc2cc(NC(=O)OCc3ccccc3)nc(N)c2N=C1c1ccccc1 6487719 PKKHMQZLJGTOCR-CQSZACIVSA-N 387.443 4.347 0 1 GIAF Cc1cc(Cl)cc2c1S(=O)(=O)N=C(C(=O)c1ccc(Cl)cc1)S2 6521994 QFUINSQKTQHVMX-UHFFFAOYSA-N 386.281 4.378 0 1 GIAF Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c3ccccc3nc-2c1O 100703943 VATPLXUVBZDZHL-UHFFFAOYSA-N 398.875 4.163 0 1 GIAF O=C(NC[C@H]1CCCO1)c1cc2c3ccccc3nc-2c(-c2ccc(F)cc2)[nH]1 102609565 UTRZMYUYKQTKPQ-MRXNPFEDSA-N 389.430 4.383 0 1 GIAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1F)c1ccccc1 103215544 WTDIDDAKYSOMGQ-KRWDZBQOSA-N 386.287 4.072 0 1 GIAF CN(C)CC1CSC(C(=O)c2ccccc2)(C(=O)c2ccccc2)SC1 103274538 TVHOLHORAUEEAF-UHFFFAOYSA-N 385.554 4.106 0 1 GIAF CC[C@@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=CC[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 26378294 WHOSSWGCARIJDM-BMPOBVHSSA-N 392.536 4.029 0 1 GIAF COCC=Cc1ccc2c(c1)[C@H](COC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 2356708239 HKPBKTJFDWPYQN-WMZHIEFXSA-N 398.455 4.144 0 1 GIAF CCCCCCN1C[C@@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(C)cc1 61923963 SKSCWLKHHLXXKL-DNVJHFABSA-N 382.552 4.393 0 3 GIAF COc1ccc(C(=O)N2c3ccccc3[S@@](=O)c3ccc(OC)cc32)cc1 72110207 MELARSNUFTZQIL-MHZLTWQESA-N 379.437 4.162 0 1 GIAF CCC(CC)NC(=O)c1cccc2[nH]c(-c3ccc(OC)c(OC)c3OC)nc12 71287377 JJMAOFGNNKVSTP-UHFFFAOYSA-N 397.475 4.174 0 1 GIAF C/C(=C\[C@H](O)C/C(C)=C/CCc1ccoc1)CC[C@@H](O)[C@]1(C)CCC(=O)O1 35950661 RUOCTYFLHGRTMP-DWONJCKNSA-N 376.493 4.093 0 1 GIAF COC(=O)[C@]1(Cc2cccc(C(F)(F)F)c2)CC(=O)O[C@]1(C)c1ccccc1 73167301 PSEUHRVPNNBMDC-UXHICEINSA-N 392.373 4.270 0 1 GIAF CC[C@@H](Oc1ccccc1)C(=O)N(C[C@H]1CCCN1)c1cccc(SC)c1 40421886 QHERONJMPQIWPG-DYESRHJHSA-N 384.545 4.351 0 1 GIAF O=C(Nc1ccc2c(c1)OCCO2)c1nc(C(F)(F)F)[nH]c1-c1ccccc1 95571061 QIMRBSYXNJBCKY-UHFFFAOYSA-N 389.333 4.119 0 3 GIAF CCOC(=O)[C@H]1CC[C@@H](N(C(=O)c2cc(Cl)c(N)c(Cl)c2)C2CC2)CC1 253951945 WKSREMNMLHZFGS-BJHJDKERSA-N 399.318 4.302 0 1 GIAF COc1cc(OC)c([C@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2=O)cc1OC 40380277 FHQIUPHJETXRLG-MRXNPFEDSA-N 396.439 4.256 0 1 GIAF biogenic,in-vivo Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCN(C(=O)OCc3ccccc3)CC1)O2 587395235 MCDSKCWKLQWOJZ-QHCPKHFHSA-N 394.471 4.104 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H]1CC[C@@]2(C)C1(C)C 587829158 QVMJKZYGOKAJNN-UDYRRMRCSA-N 380.301 4.343 0 1 GIAF COc1ccc(C=O)c(-c2nc3c(C)c(C)c(Br)cc3[nH]2)c1OC 587787557 VFCREQJUXXECOB-UHFFFAOYSA-N 389.249 4.439 0 1 GIAF COc1c(F)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587721642 PWYCIWRAWPUHHJ-BCTVWOGZSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc4c(cc32)OCO4)N1 587836582 AMZAOMMVFPCDDK-OVWNDWIMSA-N 390.252 4.041 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(Br)ccc4C1)[C@@H](C2)C3=O 587417140 IZJFSZXTZCHAFW-OXJNMPFZSA-N 385.257 4.133 0 1 GIAF Cn1nc(-c2ccccc2)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581787 MSNQXQMEVGYJNA-URXFXBBRSA-N 398.418 4.496 0 1 GIAF FC(F)(F)Oc1ccc2c(-c3nc4cnc(Br)cc4[nH]3)n[nH]c2c1 587127371 RNJUQCNGFSGHBS-UHFFFAOYSA-N 398.142 4.162 0 1 GIAF O=C(c1ccc(Br)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587651290 PWBDLYGQODQINH-UHFFFAOYSA-N 398.043 4.154 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cn1 587547161 PVEZYLZXIHPMIS-QFBILLFUSA-N 398.212 4.253 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1c(C)noc1C 587862662 URWSAGMFIYMOJZ-UHFFFAOYSA-N 379.338 4.065 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(O)c3[nH]2)C[C@H]2CCCC[C@H]21 587025152 DZALTVBTENYMEE-OIISXLGYSA-N 381.501 4.405 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccc(O)c2n1 587587639 PDDHQPFALWVENO-WMZHIEFXSA-N 385.375 4.349 0 1 GIAF CN(C)C(=S)Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587534238 XRSUKIFGUTXSIV-FQEVSTJZSA-N 381.497 4.497 0 1 GIAF CC[C@]1(c2c(C)nn(C)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587757093 MTVCZBPUORYYBD-MLCYQJTMSA-N 380.305 4.126 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(=O)O)ccc2F)N1 587715444 HSYGHGYUTAEFAW-ZKANADHPSA-N 382.204 4.049 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccn2-c2ccccc2)N1 587753818 JURIYJJXMOCOOR-KZULUSFZSA-N 386.268 4.398 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cc(F)ccc1F)CC2=O 587466481 MAHARBVQPKYOIM-NRFANRHFSA-N 390.382 4.348 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)N1 587751181 WUCRKPCVTLEGHG-FEUHOPSXSA-N 387.293 4.077 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2scc3c2OCCO3)N1 587849535 ALZYWEPXINYJHC-XLKFXECMSA-N 384.270 4.045 0 1 GIAF Cc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587027929 UMPKERBKRFFIQR-JQHSSLGASA-N 380.517 4.403 0 1 GIAF O=C(O)CCN(CCc1nc2ccc(C(F)(F)F)cc2[nH]1)Cc1ccccc1 587193155 BSRBOQCMCHRHGO-UHFFFAOYSA-N 391.393 4.101 0 1 GIAF C[C@@H](O)Cc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587835466 XEYWXWLRVHCQNI-CLUVUEOHSA-N 378.285 4.135 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c4cccc(OC)c14)[C@@H](C2)C3=O 587444207 SSQURDGREHTHFM-QMHKHESXSA-N 376.408 4.354 0 1 GIAF CCOc1cc(/C=C/c2nc3cc(F)cnc3[nH]2)cc(Br)c1OC 586978117 LXTPSFQOBXSKMI-SNAWJCMRSA-N 392.228 4.437 0 1 GIAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(CC)c(CC)c3)nc2c1 586878647 IEJIEZAVIFTLGH-UHFFFAOYSA-N 385.533 4.433 0 1 GIAF O=C(c1ccc(Cl)cn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655316 BJOUSZXFWWTGEG-UHFFFAOYSA-N 397.768 4.079 0 1 GIAF Nc1ncc(Cl)nc1-c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587086000 BLTJKEVBHPNTHH-UHFFFAOYSA-N 392.566 4.037 0 1 GIAF COc1cc(-c2nc3ccc(O)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143513 GPWFDOGAACKTHF-UHFFFAOYSA-N 378.359 4.448 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)nc2)N1 587764305 DGDOJDSNBOIJFZ-HXPMCKFVSA-N 390.300 4.207 0 1 GIAF CCSc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1C 587842380 FGMHBMKPRJCEOM-PSLIRLAXSA-N 384.318 4.057 0 1 GIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccccc1NC(=O)CCC(=O)O 963224940 FBEWGCHEYNCTPO-XDHUDOTRSA-N 394.515 4.410 0 1 GIAF CC[C@]1(CC(=O)C(F)(F)F)c2cccc(F)c2CCN1[C@@H]1CCSC1 962701984 LYERVHNVHCLYJS-PXAZEXFGSA-N 375.431 4.316 0 1 GIAF CN1CCc2c(Br)cccc2[C@@]1(c1ccccn1)C1CCOCC1 963280052 LISQNGSANHFDCZ-HXUWFJFHSA-N 387.321 4.002 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@](CCc2ccccc2)(C(F)F)N1)C(F)(F)F 962705960 GQXIGTOVKFUHFP-VQIMIIECSA-N 383.360 4.426 0 1 GIAF CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncncc3c2)c1Cl 169312824 ZIGMTUCNRXCASG-UHFFFAOYSA-N 394.859 4.318 0 1 GIAF NC[C@H]1CC[C@H](C(=O)N[C@H]2CC=CCCCc3ccccc3-c3cnc2[nH]3)CC1 1857627474 HWNXIRHFMGJZRN-CUWPLCDZSA-N 392.547 4.282 0 1 GIAF COc1ccc(N2C(=O)[C@@H](C)N(Cc3ccc(F)cc3)C2=S)cc1Cl 1857754342 IZIBNTJEDKXKCS-LLVKDONJSA-N 378.856 4.010 0 1 GIAF CN(Cc1ccccc1)C(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12 2466577 YJJVYUHMVNPTNO-DNQXCXABSA-N 396.490 4.182 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCCOC 4214030 RPKBGPSGQIGOLI-NHCUHLMSSA-N 390.524 4.252 0 1 GIAF CCc1c(C)[nH]c2c1C(=O)[C@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2 27108934 GWVOHCYMSGOUCP-SFHVURJKSA-N 396.506 4.365 0 1 GIAF C[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1cc(Cl)ccc1N1CCCC1 27564352 DDLRMRGCBDJYBI-CQSZACIVSA-N 386.879 4.058 0 1 GIAF O=c1oc2ccccc2c(O)c1C1=NN(c2ccccc2)[C@H](c2cccnc2)C1 49089827 SAGYZRUXMAOEQJ-IBGZPJMESA-N 383.407 4.249 0 1 GIAF Clc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1 73294404 SQSFRQJPEYSNDE-UHFFFAOYSA-N 397.910 4.393 0 1 GIAF CC(C)CNc1ncnc2c1nc(C1CCCCC1)n2CCN1CCCCC1 82177980 XHUISPLRIXMZIE-UHFFFAOYSA-N 384.572 4.428 0 1 GIAF Nc1n[nH]c2ccc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4)cc3)cc12 95920709 AZLVHYHHBLHABI-UHFFFAOYSA-N 398.875 4.266 0 1 GIAF in-vitro C[C@H]1CC2=C(NC(=O)N[C@H]2c2ccc(O)c(Br)c2)c2ccccc21 140018476 YCLJXUBKLRXEKU-BTDLBPIBSA-N 385.261 4.427 0 1 GIAF CCC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C/I)cc1)N2 142060817 ZSIIPJGEQMLBAQ-BGDJLXTQSA-N 395.284 4.296 0 1 GIAF O=C1c2ccccc2C(=O)N1Nc1ncnc2scc(-c3cccs3)c12 147089298 YOROPGPDUQWJGA-UHFFFAOYSA-N 378.438 4.043 0 1 GIAF CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCOCC(=O)OCC 169316656 QCBUKOJAWVDYGH-GOOMNDMLSA-N 396.568 4.465 0 1 GIAF COc1ccc(COc2ccc3cc(OC)cc(N[C@H](C)CCCN)c3n2)cc1 169327343 UVBGASIAKRQIPW-MRXNPFEDSA-N 395.503 4.370 0 1 GIAF OCc1ccc(-c2nc3c(OC(F)(F)F)cc(Br)cc3[nH]2)cc1 586895483 JFDCPWCUSGIWTJ-UHFFFAOYSA-N 387.155 4.383 0 1 GIAF O=C(Nc1nc(Cc2nc3cc(F)cc(F)c3[nH]2)cs1)c1cccs1 587019250 IQMHLJFYFVNOAR-UHFFFAOYSA-N 376.413 4.202 0 1 GIAF Cc1ccnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc12 587027538 RRINRYLTDMBFMC-BBWFWOEESA-N 380.517 4.403 0 1 GIAF Clc1cc2ccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc2cn1 587085589 VRZNHHGAXHKMLX-UHFFFAOYSA-N 378.863 4.264 0 1 GIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587168067 RWIGJMAZTCOJNE-AWEZNQCLSA-N 393.344 4.485 0 1 GIAF Cc1cccc(NC(=O)Cc2nc3cc(Br)cc(F)c3[nH]2)c1C 587239500 QCJVYBDQPSQOMF-UHFFFAOYSA-N 376.229 4.263 0 1 GIAF COc1ccccc1Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587240044 FQMJWSOONXOMLW-UHFFFAOYSA-N 386.411 4.313 0 1 GIAF C[C@@H]1C[C@]2(CC[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347517 BFMIRHLBNFICKA-ABDBXKCXSA-N 384.403 4.150 0 1 GIAF C[C@@]1(c2cc(O)cc(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356524 PXTHSXDEOJSKGQ-UNMCSNQZSA-N 380.371 4.217 0 1 GIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCCN1C(=O)OC(C)(C)C)CC2=O 587478475 SIYNXKKCMKOQQQ-LPHOPBHVSA-N 389.492 4.468 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3noc(C)n3)cc1)CC2=O 587482869 LBDNBPTUVDYYLM-HXUWFJFHSA-N 394.427 4.322 0 1 GIAF CN1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2F)CC1 587509215 XQWPZVYRVRUYFN-QHCPKHFHSA-N 394.490 4.163 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccc(F)cc2[nH]1 587569881 NGSGETDMSDREOM-FXAWDEMLSA-N 376.343 4.111 0 1 GIAF CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600972 CGQVVUMPWVNYDS-IEGYKGNPSA-N 378.424 4.118 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cccc(F)c32)N1 587738914 RUHPIIZBQSIQFB-MLCYQJTMSA-N 380.232 4.288 0 1 GIAF CCCC[C@]1(CC(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587799244 RJJQMTHOXBLVAE-KZULUSFZSA-N 386.305 4.461 0 1 GIAF COCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807623 MGFXYMOGMGDURU-BBATYDOGSA-N 380.257 4.195 0 1 GIAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587809528 UFBUXZSUSUCLIJ-MLCYQJTMSA-N 380.257 4.229 0 1 GIAF COCc1nc(Cl)cc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1 587861227 OMGAZFKDXUCYNG-UHFFFAOYSA-N 398.772 4.157 0 1 GIAF COc1ccc(/C=C/Cc2nc3c(C)c(Br)cnc3[nH]2)c(OC)c1 587929753 PQXALGSJACMGSZ-SNAWJCMRSA-N 388.265 4.302 0 1 GIAF CCOC(=O)C[C@@]1(c2ccc(F)c(C)c2)c2c(F)cccc2C[C@H]2CCCN21 963101852 MESQWDRMQNXZKR-WZONZLPQSA-N 385.454 4.491 0 1 GIAF C[C@]1(c2c[nH]c3c(Br)cccc23)NCCc2c(C(=O)O)cccc21 963148834 OQEGQRJPECLFOJ-IBGZPJMESA-N 385.261 4.038 0 1 GIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3cc(OCC(F)F)ccc3C2)cc1 1772590185 YGRSYTLPWCZXIY-OAHLLOKOSA-N 388.458 4.086 0 1 GIAF CSc1ccc(Cn2c(C)c(C(=O)NCc3cccc(C)c3)sc2=O)cc1 61929650 PABLFNANGLFIAV-UHFFFAOYSA-N 398.553 4.227 0 3 GIAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 775150 QSWVDTBQNDWZOC-BLLLJJGKSA-N 388.464 4.346 0 1 GIAF COCC(=O)N1CCC2(CC1)CCN(C(c1ccccc1)c1ccccc1)CC2 3956299 PJYOJPYRQHDAEW-UHFFFAOYSA-N 392.543 4.127 0 1 GIAF O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)c1cc2ccccc2oc1=O 6345194 TXYJRROQOSAWBJ-UHFFFAOYSA-N 398.827 4.471 0 1 GIAF Cc1nc2cccnc2n1-c1ccc(CC(=O)NCc2ccccc2Cl)cc1 6900756 AUTCXCUJJHNFCS-UHFFFAOYSA-N 390.874 4.241 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(C(=O)c3ccccc3)CC1)C2 13744643 YQBRYKBOTSCJNG-IBGZPJMESA-N 393.483 4.001 0 1 GIAF COC(=O)[C@H]1[C@@H](OC(c2ccc(C)cc2)c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C 27206529 BRDDKFGREBLJEO-GSPCLOLRSA-N 393.527 4.434 0 1 GIAF CCCC[C@]12C[C@@]1(C(=O)NCc1ccccc1)C(=O)Nc1ccc(Cl)cc12 34821562 USEREGWIQZTYGO-FGZHOGPDSA-N 382.891 4.427 0 1 GIAF O=c1c2cc(F)c(-c3ccc4c(c3)CNC4)cc2n(C2CC2)c2snc(O)c12 35090245 HWJHLIQKKAJFQU-UHFFFAOYSA-N 393.443 4.061 0 1 GIAF CNCCCOc1ccc(-n2c(-c3ccccn3)nc3cc(F)ccc32)cc1 40980519 BAMHLWXAOUZMMD-UHFFFAOYSA-N 376.435 4.215 0 1 GIAF Cc1nc2c(-c3ccc(C(F)(F)F)cc3)[nH]c(-c3ccc(O)cc3)cn-2c1=O 43018204 QBJUCNJNCSCKCL-UHFFFAOYSA-N 385.345 4.365 0 1 GIAF O=c1oc2ccccc2c(O)c1C1=NN(c2ccccc2)[C@@H](c2cccnc2)C1 49089828 SAGYZRUXMAOEQJ-LJQANCHMSA-N 383.407 4.249 0 1 GIAF CC(C)Cc1sc(N)nc1-c1ccc([P@](N)(=O)Oc2ccccc2)o1 66112029 JUGUJVNBINVEQD-DEOSSOPVSA-N 377.406 4.040 0 1 GIAF COc1cc2c3c(c1OCC1CCC1)-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 72118165 SNIAWMWFEIINKK-GOSISDBHSA-N 393.483 4.355 0 1 GIAF c1ccc(CNc2ncnc3c2nc(-c2cccs2)n3C[C@H]2CCCO2)cc1 82178528 JTRMUURXMCVZAF-MRXNPFEDSA-N 391.500 4.346 0 1 GIAF COCCn1c(CC(C)(C)C)nc2c(NCc3cccc(Cl)c3)ncnc21 82181403 HOXMJKLRVKKUKN-UHFFFAOYSA-N 387.915 4.327 0 1 GIAF c1csc(CNc2ncnc3c2nc(-c2cccs2)n3C[C@@H]2CCCO2)c1 82190525 ZROWTGWBRGLTKO-ZDUSSCGKSA-N 397.529 4.407 0 1 GIAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(OCC)cc2)cs1 82195951 WKJJAVBPAKJSTR-IBGZPJMESA-N 387.549 4.484 0 1 GIAF COc1cc2c(cc1OC)C(=O)C[C@](C)(c1cc3cc(OC)c(OC)cc3o1)O2 85996879 FVLFRCNARAMFCI-JOCHJYFZSA-N 398.411 4.348 0 1 GIAF O=C(Cc1ccccc1)N1CC[C@@H]2[C@H]1c1cc(-c3ccccc3)ccc1N[C@H]2CO 95877505 HPLLNSLMMJDLCP-CVJWPJSTSA-N 398.506 4.272 0 1 GIAF O=c1cc(C2=CC=C[C@H]3Sc4ccccc4S[C@H]23)oc(N2CCOCC2)c1 103044738 IQDUOPZMLAKYOJ-TZIWHRDSSA-N 397.521 4.065 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc4cc(Cl)ccc4n3)C2)cc1 142280635 AAPALKSRCHGDKE-AWEZNQCLSA-N 395.890 4.353 0 1 GIAF Cc1cc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 169301293 AEONKHQDKWWIPC-UWRIJYQHSA-N 381.564 4.433 0 1 GIAF Cc1c(-c2nc3cc(OC(C)C)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029449 OVCIVSJMLCEYQG-UHFFFAOYSA-N 380.473 4.500 0 1 GIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c[nH]1 587060629 KNLGUDVXSDKGCT-UHFFFAOYSA-N 391.649 4.455 0 1 GIAF Fc1cncc(Cl)c1Cc1nc2c(Br)cnc(Cl)c2[nH]1 587176130 OKKBELUPOYGPSL-UHFFFAOYSA-N 376.016 4.152 0 1 GIAF COC(=O)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1OC 587229546 HRYJNTJEWKXXNA-UHFFFAOYSA-N 388.427 4.032 0 1 GIAF CC(=O)OC[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346208 HYCXTDSYUSDOJS-UGKGYDQZSA-N 386.419 4.238 0 1 GIAF CCOC(=O)C(C)(C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348244 NCZAWPVPSNLPBQ-XMSQKQJNSA-N 386.419 4.238 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1cccc(OC(F)F)c1)O2 587382666 NOSFBPFNKXGBJT-GIWCCYDRSA-N 388.414 4.115 0 1 GIAF COc1cc2c3c(c1)O[C@H](CCc1cc(F)ccc1Br)[C@@H](C2)C3=O 587426783 PSVHYIAAUXWBAS-GDBMZVCRSA-N 391.236 4.346 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(C(C)(C)C)cc21 587480569 DRUDRENSFFCNIE-HSZRJFAPSA-N 379.456 4.455 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(Cc2ccccc2)c1 587583429 WDLTUQZIAZXDKL-URXFXBBRSA-N 398.418 4.340 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccncc1)c1ccncc1 587587745 PRSULDPTVUWCFU-NRFANRHFSA-N 396.402 4.088 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC1(CCOCC1)CC2 587608382 KNKIEOAJOXKYIH-LJQANCHMSA-N 380.440 4.463 0 1 GIAF O=C(Cc1ccccc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656057 VMQFDLZKYBBQRR-UHFFFAOYSA-N 394.352 4.364 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)nnc2Cl)N1 587702493 DMOKWDCBCRYKFS-CAAJLBCPSA-N 391.071 4.309 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cnn3C)cc2F)N1 587729293 GSNLIHGVYHPNRZ-YYSFKGJASA-N 392.247 4.238 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CN(C)C(=O)OC(C)(C)C)N1 587744423 ZWCLPZTXQZCNLX-BMIGLBTASA-N 387.293 4.030 0 1 GIAF COc1ccc(O)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805328 FXOUCBNNRDCBKW-XTZNXHDOSA-N 380.257 4.100 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@]1(C)CC[C@H]2C1(C)C 587816962 GMEIZAJQKRURFS-JOFYSIPBSA-N 380.301 4.343 0 1 GIAF COc1ccc(C[C@@H](C)c2nc3c(Br)ccnc3[nH]2)cc1OC 587925102 AMIJPVGUKNJZIJ-SNVBAGLBSA-N 376.254 4.084 0 1 GIAF COc1cccc(-c2cc(N[C@@H](C)c3cccc(NCC(=O)O)c3)nc(C)n2)c1 653748706 IYRQPINBMQEPEP-AWEZNQCLSA-N 392.459 4.130 0 1 GIAF C[C@]1(c2cccc(N3CCCC3)c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732164 XNMBXUWHBZMEBM-TZIWHRDSSA-N 388.433 4.196 0 1 GIAF COc1cccc2cc3c(nc12)[C@H](c1sc(N2CCCCC2)nc1C)NCC3 963055891 KIBOVCFBLNEUKD-HXUWFJFHSA-N 394.544 4.234 0 1 GIAF CN(C)CC1CCN([C@@H]2CCC[C@@]3(C2)c2c(F)cccc2C[C@@H]2CCCN23)CC1 963108554 PDBLASRIIKTPSF-SGIRGMQISA-N 399.598 4.258 0 1 GIAF O=C(c1ccc(O)cc1)N(CCc1cc(O)cc(O)c1)Cc1cccc(Cl)c1 1857578327 QVZAHGJQJRJFET-UHFFFAOYSA-N 397.858 4.342 0 1 GIAF CC(C)c1sc(N2CCN(C)CC2)nc1C(=O)Nc1ccc(F)cc1Cl 1857589612 RWEYRAILMRXFKJ-UHFFFAOYSA-N 396.919 4.063 0 1 GIAF Cc1c(C(=O)NN2C(=O)CS[C@]23CCCC[C@H]3C)[nH]c2ccc(Cl)cc12 1911575808 FCBSKUHIWDNKTA-WYRIXSBYSA-N 391.924 4.256 0 1 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]12C 2356582151 CDBIVUXQDDOZNF-SJDZULPBSA-N 388.460 4.319 0 1 GIAF CC[C@H]1[C@@H](c2cccc(OC)c2O)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 17250816 UWMPNVWZHCIJMI-OAJKGFPOSA-N 397.471 4.102 0 1 GIAF O=C(N/C(C(=O)N1CCCCC1)=C(\Cl)c1ccccc1)c1ccc(F)cc1 38148939 ZGHUGXPVJNBBCN-HNENSFHCSA-N 386.854 4.176 0 1 GIAF Cc1n[nH]c(C(F)(F)F)c1CC(=O)NCc1cccc(C(F)(F)F)c1Cl 43177558 RHZZVTGNHLWFTG-UHFFFAOYSA-N 399.722 4.268 0 1 GIAF CC1(C)OC[C@@H]([C@]2(C)C=C3[C@@H](O)C[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@H]3CC2)O1 49115265 VRLDAMQNTHAYBJ-OEQVYJHJSA-N 378.553 4.049 0 1 GIAF CC(C)NC(=O)[C@@]1(C)C[C@@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 65731609 ONJDWAYKGBYQHM-QTEQDKRBSA-N 380.488 4.205 0 1 GIAF in-vitro CC(=O)c1ccc(NC(=O)C(Br)(C(F)(F)F)C(F)(F)F)cc1 68574015 LNXGDLVLSYYOFE-UHFFFAOYSA-N 392.093 4.086 0 1 GIAF biogenic CC(C)(Nc1cc(N2CCC[C@@H](C(C)(C)O)C2)ncn1)c1ccc(Cl)cc1 73199026 SXMWPVLVJRMRDN-MRXNPFEDSA-N 388.943 4.465 0 1 GIAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccc(F)cc3)n2)C1 82140003 XFKWRFMRTXDNBP-HZPDHXFCSA-N 382.483 4.001 0 1 GIAF COc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(C)=O 84710768 UETYREJCFPOKDG-UHFFFAOYSA-N 399.516 4.078 0 1 GIAF COC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)C1 95569448 SYURIDRWNGCHJN-GOSISDBHSA-N 388.467 4.235 0 1 GIAF CC[C@H](Nc1ccc2ncn(-c3cc(OC(C)C)n[nH]3)c2n1)c1ccc(F)cn1 96167838 PRYJIOXSSHUJTR-AWEZNQCLSA-N 395.442 4.028 0 1 GIAF COP(=O)(OC)[C@H](OC(=O)COc1cccc(C)c1C)c1cccs1 103192142 HMLCGPTZUSLCRU-KRWDZBQOSA-N 384.390 4.472 0 1 GIAF Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4[C@]23c2ccc(C)cc2)cc1 103226533 KDHCKYRUYPAHHS-RUZDIDTESA-N 382.463 4.116 0 1 GIAF CC[C@]1(C(=O)NCCc2cc(Br)cs2)[C@@H](C)C1(Cl)Cl 103282921 HSAZOXSTUROZGE-PRHODGIISA-N 385.154 4.389 0 1 GIAF C[C@H](NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)c1nccs1 167499045 UMYYKORFXBCTTF-AWEZNQCLSA-N 392.484 4.182 0 1 GIAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C1CC1 261076021 AYPVCAPOVVHYNK-XGAFWQRZSA-N 396.575 4.276 0 1 GIAF O=C1c2ccccc2-c2cc(-c3ccccc3-n3ccnn3)nc3ccc(O)c1c23 586987436 AXTXRCGJNGZOQK-UHFFFAOYSA-N 390.402 4.400 0 1 GIAF Cc1csc(SCc2ccc(-c3nc4nc(=N)[nH]c(Cl)c4[nH]3)cc2)n1 587020009 BOVNGEKYIKHSKS-UHFFFAOYSA-N 388.909 4.143 0 1 GIAF COc1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc(Cl)c1O 587045660 AUFKWAWKKASEEO-UHFFFAOYSA-N 389.036 4.408 0 1 GIAF N=c1nc(O)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2[nH]1 587082213 IPIZARXHMPQNAQ-UHFFFAOYSA-N 388.818 4.007 0 1 GIAF CCOc1ccccc1[C@@](N)(c1nc2cc(OC)c(C)cc2[nH]1)C(F)(F)F 587092473 NLPIEYCVEYCGET-GOSISDBHSA-N 379.382 4.043 0 1 GIAF COc1nccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12 587129954 OWXRYRNLZSBTDD-YFKPBYRVSA-N 377.729 4.301 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(-c3c(F)ccc(F)c3OC)nc2c1 587133409 VSAGCDMIFAUVKW-UHFFFAOYSA-N 397.175 4.066 0 1 GIAF COc1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1F 587182670 NJHJIUDWQMBXFL-UHFFFAOYSA-N 386.139 4.121 0 1 GIAF C[C@@]1(c2cn3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332532 ANLBSSHZGRYBEW-GGAORHGYSA-N 388.398 4.453 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(OC)cc1)CC2=O 587471373 RCAXSDKTSNJFQM-QFIPXVFZSA-N 383.444 4.106 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cc(C)ccc1OC)CC2=O 587482184 SLIRUIAYRVXWLY-QHCPKHFHSA-N 398.455 4.387 0 1 GIAF CCCCN1C(=O)[C@@]2(CC(=O)c3ccc(O)c(CCC)c3O2)c2ccccc21 587485693 JUTVEYXYNZYVGF-HSZRJFAPSA-N 379.456 4.352 0 1 GIAF C[C@H](O)Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587606319 DMSMOQYTGJBFPR-IUZBSBKLSA-N 376.408 4.018 0 1 GIAF Cn1c2ccccc2c2cc(C(=O)n3ncc4ccc(Cl)cc4c3=O)sc21 587653927 OKHGHIGKCNFFOR-UHFFFAOYSA-N 393.855 4.445 0 1 GIAF O=C(Oc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655861 GJRNGUQJYOUMGD-UHFFFAOYSA-N 378.334 4.389 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3nc(F)ccc23)N1 587738507 OYUNILWTXHHBIH-VPTHRUTESA-N 378.220 4.227 0 1 GIAF COCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807621 MGFXYMOGMGDURU-ADLMAVQZSA-N 380.257 4.195 0 1 GIAF COc1ccc([C@@H](c2ccccc2)c2nc3c(S)nc(S)nc3[nH]2)cc1 587936755 LYJLTNNADHKRSX-CQSZACIVSA-N 380.498 4.119 0 1 GIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2csc(Cl)c2)N1 962704120 UILYDCIMDPTAAZ-YPMHNXCESA-N 379.762 4.248 0 1 GIAF COc1cc(OC)c([C@H]2c3ccsc3CCN2Cc2cccnc2)c(OC)c1 962994704 LLEGTFCTYPWAAP-JOCHJYFZSA-N 396.512 4.317 0 1 GIAF CC(=O)N1CCc2c(c(Nc3cccc(-c4ccncc4)c3)nn2CC2CC2)C1 1772585709 MKHZYJVBJCVUJD-UHFFFAOYSA-N 387.487 4.003 0 1 GIAF CCC(=O)N1CCOc2c(cc(-c3ccc(OC)c(Cl)c3)cc2OC)C1 1772642541 FGNWDZUYBIEPQI-UHFFFAOYSA-N 375.852 4.155 0 1 GIAF CSC1=NC=C2C(=Nc3n[nH]c(C)c3N=C2c2ccccc2C(F)(F)F)N1 1857654350 IDMDQNLKWPITHX-UHFFFAOYSA-N 390.394 4.107 0 1 GIAF CC(C)c1cc(=NC2CCCC2)[nH]nc1C(=O)NC12CC3CC(CC(C3)C1)C2 1857753083 BJHKUURXMYOROM-UHFFFAOYSA-N 382.552 4.075 0 1 GIAF C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](c3ccc(=O)oc3)CC[C@]12O 2356512573 YHPFWEDUGHFFTA-MPKKYLITSA-N 384.516 4.450 0 1 GIAF CCCCC[C@@H]1C=C[C@@H]2[C@@H](OC(C)=O)CC(=O)[C@H]2CC=CCCCC(=O)O1 2356566768 TYOJAIKYXCRSCC-JKBKZWBZSA-N 376.493 4.302 0 1 GIAF CC(=O)Nc1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccccc4)ccnc3O2)cc1 61907012 AOCFAWWJZQPHAP-QHCPKHFHSA-N 387.439 4.039 0 3 GIAF CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 103646561 MQGHGNFNEGKHAB-LJQANCHMSA-N 386.879 4.007 0 1 GIAF O=C(CCCN1CCN(c2ccccc2Cl)CC1)Nc1ccc(F)cc1F 28647143 VQWIFGLMYKBQQJ-UHFFFAOYSA-N 393.865 4.159 0 1 GIAF Cc1cccc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@H]3C2)n1 116822965 FAMXEDYJEDJJMM-NHCUHLMSSA-N 383.495 4.265 0 1 GIAF CC1(C)OC[C@]2(C[C@@]34C[C@H]2CC[C@@H]3[C@]2(C)CCCC(C)(C)[C@@H]2C(=O)[C@H]4O)O1 2356655546 GPDYNSLXYAITQJ-IFCPBXSVSA-N 376.537 4.091 0 1 GIAF Cc1ccc2c(c1)-n1c(nc3cc(Cl)ccc3c1=O)[C@H](CC(C)C)NC2=O 61949341 FUDLABVBZMMENS-KRWDZBQOSA-N 381.863 4.178 0 3 GIAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(Cl)cc2Cl)C1 36380569 MMZTXKSLBYLKDA-UHFFFAOYSA-N 399.347 4.050 0 1 GIAF Cc1cncn1CCCn1c(=S)[nH]c2sc3c(c2c1=O)CCCCCC3 138341644 RUXPVUOUZBSEBR-UHFFFAOYSA-N 388.562 4.375 0 1 GIAF CC[C@H](COC)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ncnc21 84689406 PNKDJBSTCTWPEN-GFCCVEGCSA-N 393.274 4.066 0 1 GIAF O=C1OCC2=C1[C@H](c1cc(Cl)cc(Cl)c1)c1cc3c(cc1N2)OCO3 40937300 OKWBOFQOTJZBDK-MRXNPFEDSA-N 376.195 4.090 0 1 GIAF Cc1ccc(C(C)(C)O)cc1-c1nnc2c(C)nc3cc(C(C)C)cnc3n12 145742164 GHSXQEOEHMFLKT-UHFFFAOYSA-N 375.476 4.307 0 1 GIAF Cc1nc(C)c(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2Cl)[nH]1 142682302 NUFFINXKOHEDDU-UHFFFAOYSA-N 390.874 4.458 0 1 GIAF COc1cc(C(=O)c2c(-c3ccc[nH]3)[nH]c3ccccc23)cc(OC)c1OC 95598150 BDPKRVOXTAYSCM-UHFFFAOYSA-N 376.412 4.420 0 1 GIAF CC1CCC(NC(=O)c2cc3cccnc3n(CCCCCCF)c2=O)CC1 299830360 IJDIEWXYLHHPDE-UHFFFAOYSA-N 387.499 4.235 0 1 GIAF Cc1nc(-c2[nH]c(CNc3ccccc3)nc2-c2ccc3ncnn3c2)ccc1F 473153686 CHSWHFWWHJQIOM-UHFFFAOYSA-N 399.433 4.241 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)c1ccccc1N[C@@H]2C 587791664 GWWMQCHNGBADQA-XCJKDKRRSA-N 389.268 4.015 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc[nH]c2)(C(F)(F)F)N1 587711386 XAQREHGLMFRZHQ-CLAHSXSESA-N 377.179 4.256 0 1 GIAF CCOc1ccc(-c2nn(C[C@H]3CCCO3)c(=O)c3ccccc23)cc1OCC 587668872 HIHYZVPBPVEETB-QGZVFWFLSA-N 394.471 4.040 0 1 GIAF COC(=O)c1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2c1 587065492 QUOLHAVNWWDMQJ-UHFFFAOYSA-N 380.835 4.472 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H]1CC[C@@]2(C)C1(C)C 587828811 PYMZQHKMOZORJX-NXRORBGOSA-N 380.301 4.343 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ncc(Cl)s2)N1 587852524 GVZJYZFNUFJOPH-UOWDBTKRSA-N 375.694 4.496 0 1 GIAF Cc1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(C(=O)O)=CO2 587531070 IGKWDQPRGIEHON-HSZRJFAPSA-N 376.408 4.095 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nc(O)oc3c2)N1 587778681 OHZAIJBXFFBNKK-DYBLOJMWSA-N 391.240 4.233 0 1 GIAF CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600966 CGQVVUMPWVNYDS-BSWISCRUSA-N 378.424 4.118 0 1 GIAF COC(=O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587013492 YEUGBAUWZKDUPA-UHFFFAOYSA-N 378.251 4.113 0 1 GIAF Cc1ccc([C@]2(CO)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587351696 JGTGFZGSGBMTQD-GMAHTHKFSA-N 378.399 4.086 0 1 GIAF Cc1ccc2c(ccc3nc(C4(NC(=O)OC(C)(C)C)CCC(O)CC4)[nH]c32)n1 587237248 OBOARZJKCRQWAY-UHFFFAOYSA-N 396.491 4.074 0 1 GIAF COc1cc2nc([C@@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1C 587112068 GPCTYEGTCMPZMU-IBGZPJMESA-N 391.393 4.298 0 1 GIAF CCCC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343759 KMTMYVLCVAOATD-NRFANRHFSA-N 397.446 4.052 0 1 GIAF COC(=O)c1ccc(C)c(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587661344 XPOGTYYHSVIMIK-UHFFFAOYSA-N 388.398 4.287 0 1 GIAF COc1ccc2c(c1)NCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587791652 GWFRWCHUOGMRCJ-NSPYISDASA-N 391.284 4.190 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CCCC[C@H]1C(=O)O)[C@@H](C2)C3=O 587451867 RSUIHOXWCMOIAK-XMODTWTHSA-N 392.451 4.229 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(-c3nc4ccccc4[nH]3)c2c1 587648953 DQXSPBOKHRUKFE-UHFFFAOYSA-N 379.363 4.134 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC[C@@H]3CO3)c(OC)c1)CC2=O 587483720 GCSJFUIKMLIAES-WNSKOXEYSA-N 398.455 4.012 0 1 GIAF O=C(O)CC[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603643 OOCOWWXFZKQKIM-DVXDUOKCSA-N 382.412 4.148 0 1 GIAF CCc1cnc([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)s1 963178202 JCPNNQSMKVJUHK-CHWSQXEVSA-N 390.814 4.066 0 1 GIAF COc1ccc2c(c1OC)[C@]1(CCN(Cc3ccccc3)C[C@H]1F)N(C)[C@H](C)C2 962625784 FUUFVJDQJAYIMU-NYQDVAGCSA-N 398.522 4.020 0 1 GIAF O=C(O)c1csc(-n2nc(-c3cccc(-c4ccccc4F)c3)cc2O)n1 1772618463 GQDQMCVTWKPESK-UHFFFAOYSA-N 381.388 4.206 0 1 GIAF CC(C)N(C[C@@H](O)COc1ccccc1[C@H](O)CCc1ccccc1)C(C)C 13529062 DNWOJSUBWJDTES-FYYLOGMGSA-N 385.548 4.211 0 1 GIAF CCN=c1cc(-c2ccc(C(=O)N[C@H](C)c3cccc(OC)c3)cc2)cc[nH]1 1857546833 RDUPVBJTHKQRTR-MRXNPFEDSA-N 375.472 4.102 0 1 GIAF Cc1c(C(=O)NCc2cccnc2)sc2ncnc(N(C)c3ccccc3)c12 2926887 QLTBVUHIBVATHP-UHFFFAOYSA-N 389.484 4.093 0 1 GIAF CS(=O)(=O)c1ccc(-c2ccc(F)c(F)c2-c2ccc3c(c2)OCO3)cc1 28349424 RNSDUBSZLCYQHW-UHFFFAOYSA-N 388.391 4.431 0 1 GIAF O=C(c1cccc(N2CCc3ccccc3C2)c1)N1CCc2ccc(O)cc2C1 103301259 TVYUQZFMHPVLCI-UHFFFAOYSA-N 384.479 4.153 0 1 GIAF OC[C@H]1CC[C@H](n2cnc3c(NC4CCCCCCC4)cc(Cl)nc32)O1 27320318 QRRLQZHQBPJCFO-RHSMWYFYSA-N 378.904 4.279 0 1 GIAF O=S(=O)(N[C@@H]1[C@H]2CC[C@@H]1Cc1ccc(F)cc1C2)c1ccc(Cl)s1 38140960 WXZPJLSSIKLDLT-PEBVRCNWSA-N 385.913 4.013 0 1 GIAF CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2C2CCCCC2)n[nH]1 49109803 QRHYMYBQSUQMRZ-UHFFFAOYSA-N 381.505 4.393 0 1 GIAF O=C1OCC2=C1[C@@H](c1cc(Cl)cc(Cl)c1)c1cc3c(cc1N2)OCO3 40937302 OKWBOFQOTJZBDK-INIZCTEOSA-N 376.195 4.090 0 1 GIAF CCOC(=O)[C@H](C)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 84670247 PCTMRCZSLFTMPG-HIGJEIRPSA-N 386.492 4.107 0 1 GIAF CCNC(=O)Nc1ccc(-c2nc(C3=CCOCC3)c3sccc3n2)cc1 45371040 IPWXWKUTJBMKOZ-UHFFFAOYSA-N 380.473 4.303 0 1 GIAF Cc1oc(-c2ccccc2)nc1Cc1ccc([C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 253664575 GKNLXVJBZRNFOJ-OKDJAKQTSA-N 393.439 4.172 0 1 GIAF CCC[C@@H](NC(=O)c1cocn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 473105541 SRERJMKNAVYTHG-MRXNPFEDSA-N 385.855 4.441 0 1 GIAF O=C(C[C@@H](CO)c1ccc(OCc2ccccc2)cc1)OCc1ccccc1 473155040 OMHHZBZLUWMHTR-QFIPXVFZSA-N 376.452 4.475 0 1 GIAF O=C1CSc2ccc(-c3nc4c(Br)cnc(Cl)c4[nH]3)cc2N1 587044368 URLLEGNLMPBYKA-UHFFFAOYSA-N 395.669 4.085 0 1 GIAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn2c1C=O 587587423 MTOZTSYTACOCJK-XUZZJYLKSA-N 399.402 4.469 0 1 GIAF Oc1nc(O)c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2n1 587368285 MSBYEWVRHWWNIB-UHFFFAOYSA-N 375.228 4.141 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc3oc(=N)[nH]c3c1)O2 587388504 CGLDTHULJVDDIW-HSZRJFAPSA-N 385.423 4.040 0 1 GIAF COc1ccc2c(c1)OC=C[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587840309 IETZIKYDFLAKSW-WYRIXSBYSA-N 390.252 4.281 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](Cc1c(Cl)nc(C)nc1Cl)CC2=O 587462764 SLXOQISQLKWNTC-JTQLQIEISA-N 381.259 4.326 0 1 GIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587080328 OXJKOKPFSGUUJC-OAHLLOKOSA-N 394.841 4.265 0 1 GIAF CC(C)CCOc1ccc(Br)cc1-c1nc2cc[nH]c(=N)c2[nH]1 586982094 PLRQLSFELAOSNE-UHFFFAOYSA-N 375.270 4.225 0 1 GIAF FC(F)(F)c1cc(Br)cc2nc(-c3cnc(Cl)nc3)[nH]c12 587086248 ZAZFOOJMCDZTCS-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc2cccc(O)c2n1 587660566 GZAQWRAOCJXAIF-UHFFFAOYSA-N 383.382 4.446 0 1 GIAF Cc1nc2sccn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587856614 OAUJGUIRCPTKJQ-XLKFXECMSA-N 380.286 4.229 0 1 GIAF C=C(NC(C)=O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587204480 VKPHGUPLYRFMKU-UHFFFAOYSA-N 386.249 4.011 0 1 GIAF O=C1C[C@@](CO)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587503708 CGAJZQDCQSBYEW-HXUWFJFHSA-N 376.374 4.437 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCCN(C(=O)OC(C)(C)C)C1)CC2=O 587473676 BCRBSHSKACJRIF-OAQYLSRUSA-N 375.465 4.080 0 1 GIAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2ccc(Cl)cc2[nH]1 586952744 GZSQWZUNQHYOLG-UHFFFAOYSA-N 390.877 4.141 0 1 GIAF COc1cc(Br)cc(C=O)c1OCc1nc2cccc(C)c2[nH]1 586980597 YJWFFGLIYWWPJJ-UHFFFAOYSA-N 375.222 4.034 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccccc2)N1 587742653 LLHYNBPOTWLMBD-BUXKBTBVSA-N 391.284 4.366 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(cnn3C)c2)N1 587755483 ABNNSFCDJRKTEG-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)cc2N1 587125443 FHXVSYWQPSPVTL-KSBSHMNSSA-N 390.291 4.148 0 1 GIAF COC(=O)C[C@@]1(C2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810013 SPBYKTZWKHVQNQ-VOJFVSQTSA-N 384.289 4.071 0 1 GIAF Cc1ccc([C@]2(C[C@H]3CC[C@@H](C(=O)O)C3)NCCc3c2c(C(C)C)nn3C)cc1 962920278 MHRDAGZGDXXWTK-RHGYRFJNSA-N 395.547 4.132 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]2(c1cccc(Cl)c1)c1ncco1 963256467 CIXRUOITCNZOPT-LJQANCHMSA-N 375.255 4.428 0 1 GIAF C[C@H](Oc1ccc(-c2ccc(F)cc2)cc1)C(=O)Cn1nnc2ccccc21 1772597048 BIHZQLSGJFXPJF-HNNXBMFYSA-N 375.403 4.274 0 1 GIAF C[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(N3CCC4(CCC(O)CC4)C3=O)cc2)C1 1772648102 IGCTYQJNPOEVBM-OYZUAJFISA-N 396.575 4.465 0 1 GIAF COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CC[C@@H]2CCCC[C@H]2C1 1772633139 FCDOGQROZFGSLY-ABSDTBQOSA-N 383.540 4.038 0 1 GIAF Cc1cccc(Cl)c1Nc1nc2cc(N3CCOCC3)ccc2n2cncc12 13860335 USIZQXISOMYKLX-UHFFFAOYSA-N 393.878 4.425 0 1 GIAF O=C(Nc1ccc(-n2c(O)c3c(c2O)[C@H]2CC[C@@H]3O2)c(Cl)c1)c1ccccn1 169689260 CPKGOVDZDFLUCO-GASCZTMLSA-N 397.818 4.095 0 1 GIAF Cc1nc([C@@H](NC(=O)c2cccc(-c3ccc(F)c(Cl)c3)n2)C2CC2)no1 207736366 AMDKVUYZLMDDAS-KRWDZBQOSA-N 386.814 4.114 0 1 GIAF CCN(c1ccccc1)c1ccc2cc(S(=O)(=O)N3CCCC3)ccc2n1 8599931 GWHNMFKVSRCLAG-UHFFFAOYSA-N 381.501 4.177 0 1 GIAF Cc1nc2ccc(F)cc2n1C1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 22671934 URHBUYKGLDIJIV-UHFFFAOYSA-N 387.405 4.168 0 1 GIAF Cc1noc(NS(=O)(=O)c2sccc2-c2ccccc2)c1Br 26579259 XEAVSGOYZRKLQG-UHFFFAOYSA-N 399.291 4.275 0 1 GIAF C[C@H]1CC[C@@H](C)N1Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O 43204863 GQNKLNZBZDEAMD-GASCZTMLSA-N 384.483 4.310 0 1 GIAF COc1cc(-c2nc(CN(C)CCc3ccccc3)co2)cc(OC)c1OC 72101369 KCTJAANGRDLAFN-UHFFFAOYSA-N 382.460 4.042 0 1 GIAF COc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1-n1cnc(C)c1 84596592 NKZYHNDTZFSDJC-UHFFFAOYSA-N 389.377 4.138 0 1 GIAF CCC(CC)CN1C(=O)S/C(=C\c2cc(N)c(O)c(C(F)(F)F)c2)C1=O 84672235 NGIRSFFIDMTVOT-QPEQYQDCSA-N 388.411 4.466 0 1 GIAF Cc1ccccc1N1CCN([C@H](C)c2ccc(Cl)cc2Cl)C(=O)C1=O 95552379 JZBRFCLMCFRNQO-CYBMUJFWSA-N 377.271 4.238 0 1 GIAF Cc1cc(=O)oc2c(-c3nn(-c4ccc(Cl)cc4)cc3C=O)c(O)ccc12 96939312 OATBEMWFSBMUOH-UHFFFAOYSA-N 380.787 4.126 0 1 GIAF c1cc([C@H]2CC[C@H](N3CCOCC3)CC2)ccc1OCCCN1CCCCC1 101437330 NFMCJKWXWBIFGH-DKXQDJALSA-N 386.580 4.300 0 1 GIAF S=C1COc2ccccc2CN1c1ccc(I)cc1 103203231 SHHQEPUVBXEXAU-UHFFFAOYSA-N 381.238 4.018 0 1 GIAF CC(=O)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 139332979 ZNWUIKRCOBPDFI-UHFFFAOYSA-N 380.451 4.498 0 1 GIAF CCN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 147509914 ASAYPXUWKXHIBA-UHFFFAOYSA-N 375.877 4.297 0 1 GIAF CC1=N[C@]2(N=C1N)c1cc(-c3cccc(Cl)c3)ccc1CC21CCOCC1 169708589 XUWDIJDGYAIURP-QFIPXVFZSA-N 379.891 4.344 0 1 GIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)cs1 587014125 LQEFKKGPRVPVJS-UHFFFAOYSA-N 387.509 4.404 0 1 GIAF CC(C)Oc1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 587014559 SVABJVLOYDRXDM-UHFFFAOYSA-N 388.493 4.498 0 1 GIAF CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587053587 FZUNOKVLQRTVJP-MDZDMXLPSA-N 396.299 4.290 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587077160 RSJZTGCCNUXCFE-UHFFFAOYSA-N 383.860 4.349 0 1 GIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccnc(Br)c2[nH]1 587078706 AEQHIJPGRPLCSP-LLVKDONJSA-N 390.672 4.098 0 1 GIAF O=C(O)c1ccc(-c2cc(-c3nc4c(Cl)ncnc4[nH]3)ccc2F)cc1F 587138456 JIKGJBHQJYKPRG-UHFFFAOYSA-N 386.745 4.317 0 1 GIAF Cc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 587238614 FEFSTQGWXFGHSD-AOSWFRPUSA-N 385.508 4.426 0 1 GIAF Cn1ncc(Cl)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326837 DDWIAWRIHRMQSN-XLIONFOSSA-N 386.810 4.193 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](NC(=O)OC(C)(C)C)c3ccccc31)O2 587392449 ZPRYEVDHLHKXJJ-JPYJTQIMSA-N 394.471 4.407 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1sc(-c4ccccn4)nc1C)[C@@H](C2)C3=O 587453679 YKWJTLZCOIAMQB-LHSJRXKWSA-N 378.453 4.185 0 1 GIAF CCC[C@]1(/C(=C/N(C)C)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587513737 UEUDSLFDHQJBSB-QYAIIROKSA-N 385.504 4.078 0 1 GIAF CC(C)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568402 CGFPZIZJOGVDTJ-XUZZJYLKSA-N 389.451 4.247 0 1 GIAF CCOC(=O)CC1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587593814 FCRGCGLGXFNCIX-NKTGRTDOSA-N 396.439 4.236 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587597187 QAHZAZRBGQYXGA-VEYYMALKSA-N 396.439 4.092 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3cc(F)ccc32)N1 587733746 OJYBAJXWLPXIFU-XTZNXHDOSA-N 378.216 4.411 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(/C=C/C(=O)O)cc2)N1 587825254 CBOZVKYSGXHPHD-IBKNCNEKSA-N 390.252 4.310 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1ccnc(-c3ccncc3)c1)N(C)[C@H](C)C2 962560634 CZDPMNFWEVGHNT-CMJOXMDJSA-N 375.472 4.127 0 1 GIAF Cc1ccc(C[C@@]2(C3CC3)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962967678 BTRZFMDRGMIXRZ-UTKZUKDTSA-N 391.845 4.374 0 1 GIAF O=C1CC[C@]2(CCN1Cc1ccccc1)c1c(F)cccc1C[C@@H]1CCCN12 963100942 JBLYYNPURIEKBN-RDPSFJRHSA-N 378.491 4.254 0 1 GIAF O=C(NCc1ccc([C@H]2NCCc3ccc(O)cc32)cc1)OCc1ccccc1 963329356 MTZPXYXNHOGFCJ-HSZRJFAPSA-N 388.467 4.054 0 1 GIAF COc1cccc2nc(C[C@@H]3CN(CC4CCCCC4)CC[C@@H]3CC(=O)O)[nH]c12 2356500974 JJAHUVDLAFVYOO-QZTJIDSGSA-N 399.535 4.107 0 1 GIAF O=C(Nc1ccc(Br)cn1)c1cccc2c1-c1ccccc1C2=O 2716160 HEOPNYKTUBJTEO-UHFFFAOYSA-N 379.213 4.308 0 3 GIAF COc1cc(C2=C[C@@H](c3ccc(Cl)cc3)N=C(S)N2)cc(OC)c1OC 58528798 FEWGHHLJHDOSMO-AWEZNQCLSA-N 390.892 4.337 0 1 GIAF CC=C(C)OC(=O)[C@H](C)[C@@H](C(=O)OC(C)=CC)c1cc(OC)c2c(c1)OCO2 2356382529 DLOGZYOXRJGVDW-RDTXWAMCSA-N 390.432 4.077 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3c(OC)cc(OC)c(C=CC(C)(C)O)c3O2)cc1 2356410648 QMJNQPPYYVEJAY-SFHVURJKSA-N 398.455 4.203 0 1 GIAF Cc1ccc(C(N)=O)cc1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12 68204804 DTAXEFSZDMLROF-UHFFFAOYSA-N 392.365 4.170 0 1 GIAF Cc1c(Br)cc2c(c1Br)O[C@@]1(CO)CC[C@@]2(C)[C@@H]1C 2356472318 SIPAMAWKUWFTJM-ULKVUYOBSA-N 390.115 4.331 0 1 GIAF CC=C(C)C(=O)O[C@]1(C)C(=O)C[C@@H]2[C@@H]1CC[C@@]1(C)[C@@H]2C(C)=CC[C@H]1OC(C)=O 2356544325 LCPAXKXEUBDQBL-BWMPLVCVSA-N 388.504 4.158 0 1 GIAF CCC[C@H](C)[C@H](OC(=O)C=Cc1ccccc1)[C@@H](C)[C@@H](O)CC=CC=CC(N)=O 2356598389 OJAGQZQYWOJBHT-RSKVWTTASA-N 399.531 4.033 0 1 GIAF Clc1ccccc1Cn1nnc2c(NC3CC3)nc(-c3ccccc3)nc21 28642887 FRINHNSXXXQKJX-UHFFFAOYSA-N 376.851 4.164 0 1 GIAF COc1ccc(CCc2noc(-c3cc4c(CCN(C)C)cccc4[nH]3)n2)cc1 36311425 UGVAJBNGOIFWCE-UHFFFAOYSA-N 390.487 4.116 0 1 GIAF C1=C(c2ccc(CCN3CCOCC3)cc2)[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 36289127 UNRGMCLRRBQICS-AOYPEHQESA-N 388.555 4.097 0 1 GIAF C[C@@]1(O)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 72109179 VVJCLCXPKFBKJE-HXUWFJFHSA-N 392.256 4.419 0 1 GIAF COc1cc(-c2nc(CN[C@@H]3CCc4ccccc43)co2)cc(OC)c1OC 72182270 IHFQZEOWQBELGX-GOSISDBHSA-N 380.444 4.145 0 1 GIAF O=C(O)C[C@@H](NC(=O)c1cncc(-c2ccccc2)c1)c1ccccc1Cl 223531644 WMTKYOLFXKOTOH-LJQANCHMSA-N 380.831 4.348 0 1 GIAF O=C(CSc1snnc1-c1ccc(F)cc1F)Nc1ccccc1F 40939663 BVSVUENHNAVGRB-UHFFFAOYSA-N 381.404 4.353 0 1 GIAF CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](C(=O)O)C(C)C)co2)cc1 82069960 WSOCBHCAIPYAJA-SFHVURJKSA-N 388.464 4.140 0 1 GIAF Cn1cc(-c2cc(C(C)(C)O)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144902334 RKMUQPZISDQQEA-HXUWFJFHSA-N 388.389 4.093 0 1 GIAF CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(CBr)CC[C@@H]3[C@H](CC(=O)O)C(=O)O[C@]32C1 299873042 CWCXONZIEDNVKI-AOFHMRJWSA-N 399.325 4.010 0 1 GIAF CC(C)c1csc2ncnc(N3CCC(COCCN4CCCC4)CC3)c12 653748734 QHYZJTQAPASLTN-UHFFFAOYSA-N 388.581 4.144 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3nc(Cl)ccc32)N1 587707204 UPZIUMOERIVBLD-XYZCENFISA-N 396.691 4.230 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4ccnc(Cl)c41)[C@@H](C2)C3=O 587421249 ORZBEOORDVPWID-AOMKIAJQSA-N 375.811 4.415 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2oc(CO)cc2c1 587619346 WZBANTRGAVQNFF-REWPJTCUSA-N 388.375 4.334 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ccc2nccn12 587551966 LUFYPFWHXVSVDF-UWJYYQICSA-N 392.798 4.396 0 1 GIAF CC[C@@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587700318 ALWTWNLKXXPTQZ-RTHLEPHNSA-N 382.195 4.249 0 1 GIAF CCO[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C12CCCC2 587601867 VDUDMZLWVYCPDP-MSYCTHLASA-N 380.440 4.462 0 1 GIAF COc1cc(OC)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587809099 POVAKPRFLALCRB-MGNBDDOMSA-N 380.257 4.229 0 1 GIAF CCCc1c(O)ccc2c1O[C@H]([C@H](Cc1ccccc1)C(=O)OCC)CC2=O 587480565 LDFAVODEWXJYQY-RXVVDRJESA-N 382.456 4.101 0 1 GIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)NCc1ccccc1 587622460 BNKFEMPQAINFRQ-UHFFFAOYSA-N 383.249 4.045 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(C)n(CC)n1 587859022 BAHBMDQOZXFUHX-UHFFFAOYSA-N 393.274 4.469 0 1 GIAF C[C@@]1(c2cccc(N3CCOC3=O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587513158 ICXSDHHEJZFWPK-QHCPKHFHSA-N 377.440 4.403 0 1 GIAF CCN1CCC[C@H]1Cn1c(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587429347 BGXOUEJJKNCVHO-IQOKHDRSSA-N 394.515 4.087 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-n3ccnc3)cs2)N1 587849793 VMVZYCKSPVJWKH-QGHHPUGFSA-N 392.297 4.459 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587161744 BXHWLNXEEMBRJT-IAGOWNOFSA-N 387.480 4.052 0 1 GIAF COc1n[nH]c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 587799017 VQRXBGYXVGZUHC-XLFHBGCDSA-N 390.256 4.097 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(OC)cc1)CC2=O 587481979 QRSVVMGCJHQPKM-QHCPKHFHSA-N 398.455 4.167 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1N1CCOC1=O)CC2=O 587475119 MDQTVRVGPFRKOY-JOCHJYFZSA-N 381.428 4.182 0 1 GIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1O 587808836 QWFGTMRUURKZKR-XTZNXHDOSA-N 380.257 4.100 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCNc1nc(Cl)ccc12 587551728 IXUKFFHTEYPPEY-UWJYYQICSA-N 394.814 4.113 0 1 GIAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc[nH]c(=N)c4[nH]3)c(Cl)cc12 587078179 KAYBUMGWOKOWOX-SNVBAGLBSA-N 398.850 4.223 0 1 GIAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(C3CCCC3)c(=O)c12 88345853 WZCZROOJBMBWTN-AWEZNQCLSA-N 388.475 4.264 0 1 GIAF COc1c(OCCCN2CCCC2)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772648757 PEOGSACHUGXMAT-UHFFFAOYSA-N 395.455 4.039 0 1 GIAF CN(Cc1c[nH]c2ccccc12)[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)cc1 169350913 NQJLIIKYIRJCHR-YADHBBJMSA-N 379.479 4.480 0 1 GIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)OC)cc21 1857576979 KVLLGOLYTAUSIY-UHFFFAOYSA-N 386.451 4.127 0 1 GIAF COc1cc2c(cc1OC)[C@H](CCc1c[nH]c3cc(F)ccc13)N(C=O)CC2 1857620406 RBONXQJLLSKVHK-FQEVSTJZSA-N 382.435 4.013 0 1 GIAF CC(C)CC(C/C=C1\C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C 1659272 XKEOGEXDEKIDNA-XROMRFNBSA-N 382.541 4.279 0 1 GIAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@]1(C)Oc3c(c(O)cc4c3COC4=O)C[C@H]12 2356463387 YHFZNBXTQFHWGR-RZRCNZQPSA-N 384.472 4.178 0 1 GIAF CS(=O)(=O)Nc1cccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)c1 4257417 MIVJHDGDOYNMED-UHFFFAOYSA-N 390.468 4.412 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@H]([C@@H](O)C(F)(F)F)C[C@@]43C)[C@@H]1CC[C@@H]2O 4804013 HTYHKJJOVXZDHV-JFVUOMQPSA-N 388.470 4.108 0 1 GIAF CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(Cl)cn2)[C@@H]1c1cccs1 6875284 NYZOSBLGRGWUQP-MSOLQXFVSA-N 397.887 4.346 0 1 GIAF CN1CCN(Cc2ccc3n2Cc2ccccc2S[C@H]3c2ccccc2)CC1 22939377 ZGTWROLAOLNDGR-DEOSSOPVSA-N 389.568 4.479 0 1 GIAF COc1cccc([C@@]23CCC[C@H](C2)N(C)C[C@@H]3OC(=O)c2ccccc2)c1OC 103009064 BEGZOARTFIXUBE-UTSGNWPNSA-N 395.499 4.055 0 1 GIAF CC(C)(C)OC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26398431 NBHMWIWFTLXHNU-IRNKEPLNSA-N 375.553 4.466 0 1 GIAF O=C1O[C@H](c2ccc(Cl)cc2)[C@@](Cn2cncn2)(c2ccc(Cl)cc2)O1 26009029 FCVFJIYHGGLUPU-SJLPKXTDSA-N 390.226 4.389 0 1 GIAF O=C(O)C[C@H]1CCN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64436534 BEAHZBHBRZMAIL-MOADCYBESA-N 375.512 4.420 0 1 GIAF COc1ccc2ccc(=O)oc2c1-c1cc(-c2ccc(SC)cc2)nc(N)n1 72120088 YBEQAVDLPQQQTF-UHFFFAOYSA-N 391.452 4.230 0 1 GIAF COc1cc(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)cc(OC)c1O 14683368 GLSGFPDIXHVCDU-UHFFFAOYSA-N 396.395 4.073 0 1 GIAF biogenic CC(=O)O[C@@H]1CCN([C@H]2CCCC[C@@H]2OCCc2cccc3ccccc23)C1 135984075 CAIVRDJURSBDII-NHTMILBNSA-N 381.516 4.348 0 1 GIAF CCCCNc1nc2c(ncn2-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1 40919267 ZNFMSWPAYZBEJW-UHFFFAOYSA-N 393.878 4.437 0 1 GIAF O=C1Nc2ccc(F)cc2/C1=C\c1ccc(-c2cccc(C(=O)NC3CC3)c2)o1 84710354 AZCMGIZOUJMZKI-XDHOZWIPSA-N 388.398 4.471 0 1 GIAF CCN1CC2=C(NC(=S)N[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 96282925 KEPFYNITFCEJQR-MBNYPGIVSA-N 397.494 4.157 0 1 GIAF Cc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3c(-c3ccccc3)ccc2=O)cc1 25236490 GNYLBQHQXATGQA-QUCCMNQESA-N 399.494 4.475 0 1 GIAF biogenic COc1ccc2c(c1)OC=C[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587840080 IBRVOGDFYNJVTD-WLRWDXFRSA-N 390.252 4.281 0 1 GIAF c1csc(-c2ccc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)s2)n1 587024075 NBYWSWXIVHTQFD-UHFFFAOYSA-N 382.514 4.247 0 1 GIAF Fc1c(Br)ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587040273 GTDZLTYIZLCPEN-ZIAGYGMSSA-N 392.297 4.411 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3ccc(Br)cc31)O2 587370578 GMYHLVNTSUEKHS-IBGZPJMESA-N 388.261 4.373 0 1 GIAF CN(c1ccc(-c2csc(-c3cccc4cnccc34)n2)cc1)S(C)(=O)=O 587923784 OEUJVQLLXUJONF-UHFFFAOYSA-N 395.509 4.421 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(C2CCCC2)c1 587580345 HRQUTCQXBGDBOT-UGKGYDQZSA-N 376.412 4.407 0 1 GIAF CCOC(=O)C[C@@]1(c2cccc(O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587525792 SBYJKGHDCNNHBN-HSZRJFAPSA-N 380.440 4.085 0 1 GIAF COc1ccc(-c2nc3ccc(F)c(F)c3[nH]2)c(I)c1 587180758 ZLPNUQCJQXRPFA-UHFFFAOYSA-N 386.139 4.121 0 1 GIAF CC[C@]1(c2c[nH]ccc2=N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338766 RLQGOUSHFDSYIZ-RBBKRZOGSA-N 378.403 4.003 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)ccn1 587538413 DTJMKCIGAZPIAT-LPHOPBHVSA-N 398.212 4.253 0 1 GIAF C[C@H](C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)C(=O)OC(C)(C)C 587595394 NJYFIXADRXMYBU-FSPWUOQZSA-N 384.428 4.090 0 1 GIAF CC[C@H](Oc1ccccc1F)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587154233 AJUJNJXQTOSFNS-HNNXBMFYSA-N 393.422 4.291 0 1 GIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587593286 LCRFFKYKWVJENT-OFNKIYASSA-N 392.407 4.286 0 1 GIAF COc1ccc2c(c1)OCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587832295 BGIKESQJLKRRIS-WYRIXSBYSA-N 392.268 4.157 0 1 GIAF Cc1c(-c2nc3cnc(C(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029485 PQVAVCKVCHMFQK-UHFFFAOYSA-N 391.378 4.126 0 1 GIAF C[C@@]1(C2CC(F)(F)C2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963187748 SOFPBHKARPJPHV-JSGCOSHPSA-N 383.744 4.218 0 1 GIAF COc1cccc([C@]2([C@H]3CC[C@@H](C(=O)O)C3)NCCc3cc(C)c(F)cc32)c1 962300550 PPPPWNUTAGZEOV-WLENULPWSA-N 383.463 4.033 0 1 GIAF COc1ccccc1N1CCN(C[C@@H]2CSC3(CCCCC3)S2)CC1 1772628103 GTCQGGCMEIGXAN-QGZVFWFLSA-N 378.607 4.326 0 1 GIAF Nc1ncc(Cn2cc(-c3cccc(C(F)(F)F)c3)c3ccccc32)c(N)n1 1772619480 TZZFGNIDHKLBES-UHFFFAOYSA-N 383.377 4.330 0 1 GIAF O=C(O)c1cccc(-c2ccn3nc(NC(=O)c4cccc(Cl)c4)nc3c2)c1 1857567032 CSIFTQDPHRSULX-UHFFFAOYSA-N 392.802 4.000 0 1 GIAF CCC(CC)N=c1[nH]nc(C(=O)NC2C3CC4CC(C3)CC2C4)cc1C(C)C 1857751394 UXOVHVGOPGOYSZ-UHFFFAOYSA-N 384.568 4.177 0 1 GIAF Cc1cc(C)c(C)c(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1C 3815566 NNYHIJGVHOAIGK-UHFFFAOYSA-N 392.507 4.428 0 1 GIAF O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccsc1 58591304 ZASNKCQMORAXHL-UHFFFAOYSA-N 392.889 4.455 0 1 GIAF OCCN1CCN([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 22441566 KZIRWQDAAMOPNE-GHTZIAJQSA-N 391.342 4.180 0 1 GIAF C[C@H](C=CC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356838887 MEFHLJCGADQRRZ-KRYSTCSFSA-N 388.548 4.462 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)c5ccc[nH]5)CC[C@H]4[C@H]3CC[C@@H]12 34315800 ADCZPIWAYHWQLK-XWHOINDGSA-N 380.532 4.453 0 1 GIAF CC(C)C(=O)Nc1ncc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)s1 72103710 MNUBQWQLHDHILB-LJQANCHMSA-N 387.892 4.070 0 1 GIAF COc1cc(/C(=C/c2ccc(Br)cc2)[C@H](C)O)cc(OC)c1OC 71319265 KLMIZVPZPYRCLJ-RGZVIEDOSA-N 393.277 4.396 0 1 GIAF Nc1ncc(-c2ccc(-c3ccccc3Sc3cnccn3)cc2F)cn1 224718674 SDUUKPVERAFPSZ-UHFFFAOYSA-N 375.432 4.473 0 1 GIAF Cc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1-c1ccncc1 49045339 SBUPGNUOQBIHSD-UHFFFAOYSA-N 389.224 4.022 0 1 GIAF COc1ccc(CCc2ccccc2N2C(=O)c3ccccc3C2=O)cc1OC 45288016 GPIKIQYFADSPRZ-UHFFFAOYSA-N 387.435 4.290 0 1 GIAF COc1ccc2c(O[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1 45321394 FKNPFDGOZHGKTD-HNNXBMFYSA-N 397.438 4.488 0 1 GIAF OC1CCC(Nc2nccc3[nH]c(-c4cccc(C(F)(F)F)c4)nc23)CC1 82081962 DEBXIOOSHQBAHF-UHFFFAOYSA-N 376.382 4.359 0 3 GIAF Nc1ccc(-c2ccccc2F)nc1C(=O)Nc1cnccc1-c1ccncc1 147120182 HGRGBTOFFWBXHE-UHFFFAOYSA-N 385.402 4.179 0 1 GIAF COC(=O)c1c(N)[nH]c(C(=O)c2ccccc2)c1-c1ccc(Br)cc1 95605700 XJAMLYLGRIKPTF-UHFFFAOYSA-N 399.244 4.044 0 3 GIAF COc1ccc(OC)c(-c2cc3cc(Br)cc(OC)c3oc2=O)c1 299821863 LBSNEPDWEWOQGS-UHFFFAOYSA-N 391.217 4.248 0 1 GIAF CCOc1cccc(-c2cn3c(-c4ccc(CCC(=O)O)cc4)cnc3cn2)c1 653775395 FSHBWMCCQSNCTQ-UHFFFAOYSA-N 387.439 4.479 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccccc2Cl)N1 587696107 KXEVMGAKFUGKHW-BTDLBPIBSA-N 384.676 4.012 0 1 GIAF O=C(O)COc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990145 VRKKLPODDJYPCQ-UHFFFAOYSA-N 397.386 4.282 0 1 GIAF CC(=O)C[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814269 SWNPORDZMYLAQY-BUXKBTBVSA-N 376.269 4.345 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](NC(=O)OC(C)(C)C)c3ccccc31)O2 587392447 ZPRYEVDHLHKXJJ-FDDCHVKYSA-N 394.471 4.407 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 587356809 RMXNPPQSHDWMKR-GGAORHGYSA-N 376.383 4.438 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(C(=O)O)[nH]c3ccc(OC)cc13)CC2=O 587484431 PAKDUPVAVKAHTG-SFHVURJKSA-N 395.411 4.239 0 1 GIAF CCOC(=O)CC[C@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799680 UEYCOBBUXOOZRN-BBATYDOGSA-N 384.289 4.071 0 1 GIAF O=C(/C=C\c1nc2cc(Br)c(F)c(F)c2[nH]1)Nc1ccccc1 587245333 VZJSUDCVVFSXBE-SREVYHEPSA-N 378.176 4.256 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(C)cnc3[nH]2)cc1 586950081 PCWAXXSFDCTXMT-UHFFFAOYSA-N 378.457 4.043 0 1 GIAF Cc1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(S)n1 587845722 RXWGOXLRICUBIU-QPFGOUBPSA-N 396.329 4.081 0 1 GIAF N=C(N)c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587150008 JPSDMIFCPHAOLA-IBGZPJMESA-N 378.382 4.294 0 1 GIAF CCCCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O 587666862 GOPVNBLMZNLADX-UHFFFAOYSA-N 393.487 4.446 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(F)c(F)cc2[nH]1 587000253 HRBZSNFZSJQYBO-ZDUSSCGKSA-N 391.219 4.327 0 1 GIAF O=C(O)/C=C/c1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600780 BJVNKJCSUMVQGQ-WAUSYEEPSA-N 388.375 4.193 0 1 GIAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(C)(C)C)n1 587579989 GJNBJEWPGPPKLH-PXNSSMCTSA-N 378.428 4.126 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C3CCCC3)C2)N1 587768796 MNFUMFFPMNLPFK-ORAYPTAESA-N 381.333 4.356 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccccn2)(c2ccccn2)N1 587770380 JBRUTMFJDWTTSO-ZDUSSCGKSA-N 398.279 4.204 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(COc1ccc3ccc(=O)oc3c1)CC2=O 587483405 FNGSWURGLQDNBA-HSZRJFAPSA-N 394.423 4.254 0 1 GIAF CC(=O)[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545578 HFFDUEAHLSZAJG-UGKGYDQZSA-N 394.810 4.492 0 1 GIAF Cc1cn2c(n1)[C@]1(CC=C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341514 WZXTXEIVYOXWJB-SIKLNZKXSA-N 376.387 4.165 0 1 GIAF O=C(c1ccc(F)c(F)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658303 KOIBMQAAWBQRDF-UHFFFAOYSA-N 380.325 4.169 0 1 GIAF CC(=O)Oc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587810300 KKDLYJKRJKFZPP-XTZNXHDOSA-N 378.241 4.137 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCCc4nc(Cl)cc(Cl)c41)[C@@H](C2)C3=O 587421552 PWTRITZMTWSOQF-JEOXALJRSA-N 376.239 4.376 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H]1CCOC1 587616872 NCNHQCOYHCAEDZ-QATBIIFWSA-N 388.419 4.286 0 1 GIAF C[C@@]1(c2c(N)sc3c2CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587618179 NNLVDUFBNROHHP-AVRDEDQJSA-N 393.464 4.402 0 1 GIAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cnc3ccoc3c2)N1 963177512 VFJVBRNYFATWMI-BLLLJJGKSA-N 396.752 4.188 0 1 GIAF NC(=O)Cc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1 1772571349 BNOPTUTUOHAXGJ-UHFFFAOYSA-N 387.365 4.010 0 1 GIAF CC(C)n1ncc2c(C(=O)N3CCc4cccnc43)cc(-c3cccs3)nc21 1772606866 WYMULIBEBIHSSZ-UHFFFAOYSA-N 389.484 4.339 0 1 GIAF CCN1c2ncc(CCc3cccc(F)c3)cc2C(=O)N(C)c2cccnc21 5842279 QHRNKMUAIFHYDI-UHFFFAOYSA-N 376.435 4.149 0 1 GIAF CNC[C@@H](O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1F 13122935 QDZZRQSBQUVQJI-OAQYLSRUSA-N 381.447 4.237 0 3 GIAF C[S@@](=O)c1sc(C(=N)N)cc1-c1nc(-c2ccc(Cl)cc2)cs1 13437910 FGEPGZOWAMUQGG-QHCPKHFHSA-N 381.935 4.213 0 1 GIAF NC1=N[C@H](c2ccc(Oc3ccccc3)cc2)N(c2cccc(Cl)c2)C(N)=N1 13559311 AEUZJUMNQCESKW-IBGZPJMESA-N 391.862 4.281 0 1 GIAF CC(=O)Nc1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1 13680218 BJFRPDPYFAOZFB-UHFFFAOYSA-N 376.416 4.263 0 1 GIAF CCSc1ccnc(C[S@](=O)c2nc3ccccc3n2CSC)c1C 13820828 NJDNYXISRUWZSD-RUZDIDTESA-N 391.587 4.480 0 1 GIAF Cc1ncn(-c2ccc(Nc3cc(-c4nocc4-c4cn[nH]c4C)ccn3)cc2)n1 103237330 SNAKELXBWICEIB-UHFFFAOYSA-N 398.430 4.068 0 1 GIAF CN(C)Cc1ccc([C@@H]2Nc3cccc4c(=O)[nH]nc(c34)[C@H]2c2ccccc2)cc1 118621873 JIVGZFFEZKZOGK-GMAHTHKFSA-N 396.494 4.283 0 1 GIAF CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccc(OC)cc1 103275888 SWJPFGXQAMIQKS-UHFFFAOYSA-N 388.427 4.349 0 1 GIAF COc1ccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 100092478 PGJUJVZPPAPDSV-BKFWDETESA-N 399.494 4.334 0 1 GIAF CN1C(=O)C[C@H](c2ccc(N)cc2)[C@@H]1[C@@H](O)c1ccc(-c2ccccc2)s1 28466350 HIVOJVHPOBIHAG-YHYVQYDKSA-N 378.497 4.045 0 1 GIAF NC(=O)c1cnc2cc(-c3ccncc3)ccc2c1Nc1n[nH]c2ccccc12 28959959 YFWDSODSWUACKP-UHFFFAOYSA-N 380.411 4.016 0 1 GIAF CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNC(=O)c2ccc(F)cc2)C=C1C 2356780142 MUBGTXXKFWIAQS-NSHGMRRFSA-N 375.484 4.363 0 1 GIAF COc1cccc([C@@H]2c3cc4c(cc3O[C@H](N3CCCCC3)[C@@H]2C)OCO4)c1O 31861161 NTGCRYUQXNVBHI-NZCIYTFRSA-N 397.471 4.102 0 1 GIAF C[C@@H]1CN(c2ccccc2Sc2ccc(Cl)cc2)[C@H](C)CN1CC(=O)O 36143350 JWJRJOKVXACSQY-HUUCEWRRSA-N 390.936 4.475 0 1 GIAF CN1C(=O)[C@@H](CN2CCCCC2)C[C@@H]1c1cnc(-c2ccccc2Cl)s1 35932081 BYRXTRIVTYAFPL-RHSMWYFYSA-N 389.952 4.469 0 1 GIAF CC(=O)OC[C@]12CC[C@H](OC(C)=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 13481133 SGEFHSHPYWPAKB-NJNJRUFASA-N 390.520 4.073 0 1 GIAF biogenic CC(=O)O[C@@]1(C)CC(=O)c2c(cc3cc(OCC=C(C)C)cc(O)c3c2O)C1 13480352 JZZYGSWFNIPCJJ-JOCHJYFZSA-N 384.428 4.047 0 1 GIAF biogenic Cc1c(C(=O)NN2C(=O)CS[C@]23CCC[C@@H](C)C3)[nH]c2ccc(Cl)cc12 1911577142 GNHIYXPZHXASQT-WYRIXSBYSA-N 391.924 4.256 0 1 GIAF C[C@H](Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Br)cc1 1911580595 XIDGBOASHAHDSO-GFCCVEGCSA-N 376.250 4.038 0 1 GIAF COc1ccccc1CNc1nc2cc(C(N)=O)ccc2n1CC1CCCCC1 49036022 OKNNIUBYAGNVNU-UHFFFAOYSA-N 392.503 4.336 0 1 GIAF O=C1[C@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccncc1 195405641 IBXQASRNSVVFOE-MESAYYPLSA-N 380.447 4.325 0 1 GIAF Cc1nc(-c2ccccc2)sc1-c1ccnn1-c1ccc(S(C)(=O)=O)cc1 653916013 SPIQOKZSPASBRN-UHFFFAOYSA-N 395.509 4.375 0 1 GIAF Clc1cccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)SC2)c1 653823235 KZYRIPLWMMBMBL-UHFFFAOYSA-N 392.875 4.347 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cnc3[nH]2)C[C@H]2CCCC[C@H]21 587026896 MZIQXJHQWYSSBQ-XYPHTWIQSA-N 384.480 4.233 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1N[C@@H]1c1ccccc1)[C@@H](C2)C3=O 587440777 QKJXQOHWXPTOCC-UOYQKJQJSA-N 383.447 4.051 0 1 GIAF CC(=O)NCCc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511614 MEDKXDMTTNFJLW-DEOSSOPVSA-N 377.484 4.125 0 1 GIAF C[C@H](Sc1ncccn1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586962461 SBEXKLNAONNUHE-ZETCQYMHSA-N 375.326 4.255 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C)c1Oc1cccnc1)CC2=O 587476123 PHMCNVILLRSHIN-IBGZPJMESA-N 393.443 4.280 0 1 GIAF CCOC(=O)C[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587792247 BDZHJLOJBBZMQI-FNFWKMNBSA-N 384.289 4.071 0 1 GIAF Cc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587027932 UMPKERBKRFFIQR-SZMVWBNQSA-N 380.517 4.403 0 1 GIAF Fc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1F 587117349 CELPJVIYIIHWBP-UHFFFAOYSA-N 395.129 4.062 0 1 GIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc3ncccc3c2[nH]1 587043837 VWNQCDNPOZKLBR-MRXNPFEDSA-N 380.860 4.420 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3nnco3)cc2)N1 587795374 OHYQOOLRAXGWMN-BTDLBPIBSA-N 388.240 4.262 0 1 GIAF CCCCOC(=O)[C@@H]1CCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587595176 JMXDQPXZNDWYJA-QUZZAMIASA-N 396.439 4.236 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@]1(c2ccccc2)CCOC1 587615233 FOXJGUAGNHLGID-OYDLWJJNSA-N 388.419 4.081 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3n[nH]c(Cl)c3c2)N1 587706367 PSRRZZBHPPPSJT-UOWDBTKRSA-N 395.663 4.137 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587453983 QOGWHQFRXPIVHD-UQBPGWFLSA-N 398.414 4.477 0 1 GIAF COC(=O)[C@H]1CC[C@H]([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587805179 HCIIHDDHLBZICY-UWCDFFNFSA-N 384.289 4.143 0 1 GIAF COc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587544494 DXNAXHMXWDBYQH-APWZRJJASA-N 383.787 4.152 0 1 GIAF COc1cc(OC)c([C@@H]2c3ccsc3CCN2Cc2cccnc2)c(OC)c1 962994706 LLEGTFCTYPWAAP-QFIPXVFZSA-N 396.512 4.317 0 1 GIAF Cc1ccc([C@@]2(C3CCCC3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1C 963548883 HUOAPQFTHDSIQR-XUZZJYLKSA-N 379.500 4.350 0 1 GIAF Cc1sc2c(c1C)CCN[C@]21CCN(C(=O)OCc2ccccc2)C[C@@H]1C 963011468 GVBVTAYHZXCACK-NYHFZMIOSA-N 384.545 4.385 0 1 GIAF Brc1ccc2c(c1)[C@@](c1ccncc1)(C1CCOCC1)NC1(CC1)C2 961617722 VSBZOLWSGHOFFP-OAQYLSRUSA-N 399.332 4.193 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@@H]1c1coc2ccc(F)cc2c1=O 962373580 NIALSLYEZCAOKS-OAQYLSRUSA-N 394.471 4.480 0 1 GIAF CN1CCC([C@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)CC1 963817755 PGJGWHSANXOHIA-VWLOTQADSA-N 389.543 4.450 0 1 GIAF O=C(OCc1ccccc1)N1CCC[C@H](C[C@H]2NCCc3ccc(O)cc32)C1 963351194 FNVUNVJUSMZNIA-XMSQKQJNSA-N 380.488 4.018 0 1 GIAF CCOC(=O)C[C@@]1(c2c(Cl)cccc2Cl)NCCc2c(C)ccnc21 963066232 FXTCQZUCKBQYDQ-IBGZPJMESA-N 379.287 4.039 0 1 GIAF CCOC(=O)CCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 1772635366 LMTCWDDBNDJEDJ-UHFFFAOYSA-N 392.463 4.114 0 1 GIAF CSc1ccccc1OCc1cc(C(=O)N[C@@H]2CCc3ccccc32)no1 11774579 WVPOPICAEKZFRN-QGZVFWFLSA-N 380.469 4.393 0 3 GIAF COc1ccc(COC(=O)C2=C(CC(C)C)NC(=O)N[C@H]2c2ccccc2)cc1 205384131 SJSDKQMCPZUKQS-NRFANRHFSA-N 394.471 4.093 0 1 GIAF Cc1cc(=N)[nH]c2cc(-c3ccc(OCc4cscn4)c(CN)c3)ccc12 1857565765 QMLWVSKDYLAYRJ-UHFFFAOYSA-N 376.485 4.117 0 1 GIAF COc1cccc(C(=O)Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1 1857573917 OPTQCAKSDKXFKS-UHFFFAOYSA-N 396.450 4.326 0 1 GIAF c1ccc(CC[C@H]2CCCN(CCN[C@H]3CCN(Cc4ccccc4)C3)C2)cc1 1857584625 BRUSHJCBLNVXBK-FTJBHMTQSA-N 391.603 4.195 0 1 GIAF O=C(C[C@@H]1CN2CCC1CC2)Nc1cc2cccc(Br)c2s1 3818272 KEUPMWVOFFHALI-CYBMUJFWSA-N 379.323 4.334 0 1 GIAF CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccs2)n2c(nc3ccccc32)N1 4597492 HFUZPWGCADLLMM-LJQANCHMSA-N 378.501 4.399 0 1 GIAF Cc1ccnc(NC(=O)Nc2sc3nc4n(c(=O)c3c2C)CC[C@H](C)CC4)c1 6750156 ARPGERGORJACRS-LLVKDONJSA-N 397.504 4.086 0 1 GIAF CCc1nnc(S[C@@H](CC)C(=O)NC2CCCC2)c2cc3oc(C)cc3n12 6894279 NDOHNZROFWCTEE-KRWDZBQOSA-N 386.521 4.276 0 1 GIAF CCC[C@H](C)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4cccc5c4[C@@]12CCN(C)[C@@H]3C5 27418049 ZWGNEGKIHHCRAQ-CAWGTKHSSA-N 379.544 4.343 0 1 GIAF C[C@@]1(COc2ccc(-c3ccc(F)cc3)cc2)CCn2cc([N+](=O)[O-])nc2O1 115603035 IQJFYFAKNUOHAE-FQEVSTJZSA-N 383.379 4.218 0 1 GIAF COc1ccc(NC(=O)[C@@H]2Cc3c(-c4ccc(Cl)cc4)ccnc3O2)cc1 61926453 PMJCJJCTOYCRAG-IBGZPJMESA-N 380.831 4.353 0 3 GIAF COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)O[C@H](C(C)C)C4)CO2 3197576 BHCBWJBSVOKHRJ-INIZCTEOSA-N 394.423 4.329 0 3 GIAF biogenic,in-vitro COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1ccccc1)CC(C)(C)CC3 218322097 JVHJMNINROTJNZ-GOSISDBHSA-N 377.488 4.183 0 1 GIAF c1ccc(-c2nc([C@@H](NCc3ccco3)C3CC3)oc2N2CCOCC2)cc1 72103743 JHFWXEUOVUSSDJ-IBGZPJMESA-N 379.460 4.012 0 1 GIAF CCc1ccc(-c2ccc(C(=O)NCC(=O)N3CCc4ccccc4C3)cc2)cc1 149093957 VJWFSQSWMJORNI-UHFFFAOYSA-N 398.506 4.231 0 1 GIAF COC(=O)[C@H]1[C@@H](O[C@H](c2ccccc2)c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 146432659 NYWOLUGCSRCGJB-MLBCHFTJSA-N 399.918 4.470 0 1 GIAF OCCNCc1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 145598795 XSBCFSHPIYHEQT-LJQANCHMSA-N 382.485 4.084 0 1 GIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@]1(C)CC[C@@]13CC[C@@H](C[C@@]21C)[C@@](O)(CO)C3 238772694 YMOUBIDEGPSLHS-OOWLSGMKSA-N 378.553 4.076 0 1 GIAF Cc1ccc(F)cc1C(=O)Nc1ccc(N2CC[C@H](N3CCC[C@@H]3C)C2)cc1 96929240 VRGKQMUSWKTAOP-UWJYYQICSA-N 381.495 4.449 0 1 GIAF OCCc1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 587183529 XNHJZIRJWZAXNQ-UHFFFAOYSA-N 398.631 4.023 0 1 GIAF COC(=O)c1sccc1-c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)o1 587411721 UXRKANWHPDXLQP-KRWDZBQOSA-N 383.425 4.392 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(C)cc1)CC2=O 587478852 HJQVQDAXZTYTHC-HSZRJFAPSA-N 382.456 4.467 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2=COCC2)(C(F)(F)Cl)N1 587706652 RKLNAKAZNWJJBF-XLKFXECMSA-N 396.634 4.454 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(F)ccc(C3OCCO3)c1Cl)O2 587381035 FKTVZWRYLOTHGB-OAHLLOKOSA-N 377.799 4.122 0 1 GIAF COc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587613151 NZQRBUVAEOBKMO-WFASDCNBSA-N 389.816 4.214 0 1 GIAF Cc1onc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)c1COc1ccc(Cl)cc1 587076859 XJBMPDGEVKSLML-UHFFFAOYSA-N 395.806 4.341 0 1 GIAF C[C@H](N)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340287 VPUGGTKMFSQTJN-RUGFAHKUSA-N 377.415 4.133 0 1 GIAF CCOc1ccccc1[C@@](N)(c1nc2cc(OC)c(Cl)cc2[nH]1)C(F)(F)F 587092399 LXRYAUYHRNRVET-QGZVFWFLSA-N 399.800 4.388 0 1 GIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 587784477 HMEWGGPDRDMIGH-OLZOCXBDSA-N 389.224 4.408 0 1 GIAF CC(C)(C)OC(=O)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347738 MNONCDVNORYIHS-OJAOPOQLSA-N 398.430 4.381 0 1 GIAF CCOC(=O)Cc1ccc2nc(CCCNc3cc(C)ccc3OC)[nH]c2c1 587229140 PXMOUELKTKIUCJ-UHFFFAOYSA-N 381.476 4.030 0 1 GIAF CCc1nccn1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344143 WAHPIMNGIHIYON-IRLDBZIGSA-N 380.419 4.108 0 1 GIAF Cc1c(-c2nc3c(Cl)ncc(Br)c3[nH]2)oc2c1[C@H](O)CCC2 586905645 XQZVTMDTUYMBLF-MRVPVSSYSA-N 382.645 4.312 0 1 GIAF C[C@]1(c2ccc(C(=O)O)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613259 NMBRPTXUQDBJIL-OXQOHEQNSA-N 382.393 4.029 0 1 GIAF COc1ccc(OC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587800395 GMBUCSKKZSOJSY-BBATYDOGSA-N 380.257 4.251 0 1 GIAF COc1ccc(-c2ccc(-c3nc4ccc(C(=N)N)cc4[nH]3)c(F)c2)c(F)c1 587153364 YZDJTWGFDZUNOV-UHFFFAOYSA-N 378.382 4.468 0 1 GIAF CCOC(=O)C[C@@]1(CC(F)(F)F)c2cccc(Br)c2CCN1C 963282116 VQFWWFWFMPDIQA-OAHLLOKOSA-N 394.231 4.038 0 1 GIAF Cc1c(O)ccc2c1[C@@H](c1cccc(SC(F)(F)F)c1)N[C@H](C(=O)O)C2 963521422 CBWFKQAOAXHBRC-XJKSGUPXSA-N 383.391 4.001 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@@]12CCCc1ccc(CN)cc12 962368646 BEWGAHWLGDNSOE-HSZRJFAPSA-N 377.557 4.184 0 1 GIAF Cc1ccc2c(c1)C(N1CCN(C3CCCCC3)CC1)=Nc1cccnc1N2 13492077 LUXHGZRXBPTYEH-UHFFFAOYSA-N 375.520 4.476 0 1 GIAF CCN(CC)C(=O)c1ccc([C@H](c2cccc(OC)c2)C2CCNCC2)cc1 13803488 WVTALGQYIOJJCG-QHCPKHFHSA-N 380.532 4.309 0 1 GIAF CCN(CC)CCCOc1ccc(Nc2nccc(N3CCCCC3)n2)cc1 1857593934 NDPPPLHWUXWYAH-UHFFFAOYSA-N 383.540 4.321 0 1 GIAF CN[C@@](c1nc2ccc(C#N)cc2[nH]1)(c1c(C)cc(C)cc1OC)C(F)(F)F 230474969 UCKKPCZNZHKBKC-LJQANCHMSA-N 388.393 4.085 0 1 GIAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](CO)[C@H](C)CC)cc1 775674 XJZOWDDNTIIMFO-PBHICJAKSA-N 388.508 4.175 0 1 GIAF COc1cc([C@@H]2[C@H]3C=CC=C4CC=CC(=C43)[C@H]3CCC(=O)N23)cc(OC)c1OC 5922963 UZISGKOETGDJKE-YZZKKUAISA-N 391.467 4.127 0 1 GIAF COc1cc([C@@H]2c3ccc(O)cc3CCc3cc(O)cc(OC)c32)ccc1O 14660023 LOCDKOPDFUVBHW-JOCHJYFZSA-N 378.424 4.099 0 1 GIAF biogenic,in-vitro CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2Cl)[C@H]1c1cccs1 20507898 MMVNGZPWVBJXCK-IAGOWNOFSA-N 397.887 4.346 0 1 GIAF COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@@H](c1ccsc1)O2 26177102 IVLBXYAEHGMERI-LJQANCHMSA-N 387.482 4.277 0 1 GIAF Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3C3(C2)OCCO3)CC1 40395636 DKEDARRBVROCEZ-HXUWFJFHSA-N 392.543 4.422 0 1 GIAF CSc1ccc(Sc2ccc(N(C)S(C)(=O)=O)cc2CN(C)C)cc1 40935958 CCLDYFDEDOTWJF-UHFFFAOYSA-N 396.603 4.017 0 1 GIAF C[C@@H](COC(=O)[C@@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12)O[N+](=O)[O-] 40974708 IIOBHBNTLZNXBM-QWRGUYRKSA-N 376.796 4.218 0 1 GIAF Cc1ccc(-c2c(C(=O)N(C)C3CCN(C)CC3)cnn2-c2ccccc2)cc1 58540922 YXTRVXVCOJNSHQ-UHFFFAOYSA-N 388.515 4.014 0 1 GIAF O=C(c1ccc2c(c1)OCCO2)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 95562800 XFTOJAOTBYKPOB-OAQYLSRUSA-N 384.435 4.449 0 1 GIAF COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OC[C@H]1CCCN(C)C1 95563703 VSZAJSFNWQEYEK-ROUUACIJSA-N 397.519 4.299 0 1 GIAF COc1ccc([C@@]2(C)Cc3cc(OCC(=O)O)c(Cl)c(Cl)c3C2=O)cc1 138765412 IMDWDKBQGAZAJS-LJQANCHMSA-N 395.238 4.162 0 1 GIAF COc1ccc(CCN2CCCC[C@@]23CCc2cc(OC)ccc2C3=O)cc1 207875761 ILXIOLYBYUYDIO-DEOSSOPVSA-N 379.500 4.300 0 1 GIAF C[C@@H](NC(=O)Nc1cc2n[nH]c([C@H]3CC3(F)F)c2cn1)c1ccc(F)cc1 219751142 COSNGKHMHXKUHQ-NOZJJQNGSA-N 375.354 4.102 0 1 GIAF CCOc1ccccc1N1C(=O)[C@H]2[C@H]3C=C(Cl)[C@@H](c4ccccc43)[C@H]2C1=O 252593066 BIUBPNDUNFZVLJ-WEFJBSGNSA-N 379.843 4.208 0 1 GIAF CC[C@H]1C[C@]2(C[C@@H](CC)N1)C(=O)N(Cc1ccccc1)C(=O)N2c1ccccc1 253666848 FUFYUAFRDIRSHD-IRJINJETSA-N 391.515 4.335 0 1 GIAF O=C(Nc1ccccc1-n1cccn1)c1cccc2c1[S@@](=O)c1ccccc1-2 253809897 VGHPNKOYGJFNLC-NDEPHWFRSA-N 385.448 4.272 0 1 GIAF O=c1sc2ccccc2n1CCCCCCN1CCN(c2ccccc2)CC1 299823222 DKEWOXIDURQEIM-UHFFFAOYSA-N 395.572 4.446 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 586915519 FEJZHDPRVCEQNA-ADLMAVQZSA-N 376.243 4.481 0 1 GIAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586995117 DFLUMMWXKQEVFA-HNNXBMFYSA-N 389.253 4.363 0 1 GIAF Nc1c(-c2nc3nc(Cl)c[nH]c-3n2)sc2cc(Br)ccc12 587032498 UBLJDVNBUOKTMV-UHFFFAOYSA-N 380.658 4.184 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3cc(Cl)cc(F)c3[nH]2)C(F)(F)F)n1 587094035 IKFQSBLQRUCDHC-ZDUSSCGKSA-N 379.766 4.113 0 1 GIAF Cc1cc(F)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 587119607 ZEJNQVAQIKFZLY-UHFFFAOYSA-N 391.166 4.231 0 1 GIAF Fc1cc2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc2cc1-n1cccn1 587134608 NXSSIOYECLXSOR-UHFFFAOYSA-N 382.317 4.400 0 1 GIAF COC(=O)c1ccc2nc(-c3cc(F)cc(-c4cccc(OC)c4)c3)[nH]c2n1 587160468 SWOBDDDBIYCATA-UHFFFAOYSA-N 377.375 4.226 0 1 GIAF O=C(O)COc1ccc(Br)cc1-c1cc2c3c(cccc3n1)CC2 587207236 DUJDPMAJWXUAFI-UHFFFAOYSA-N 384.229 4.226 0 1 GIAF CC(C)CCOc1cc2nc(Cc3cccnc3N)[nH]c2cc1Br 587253451 AGEZNLDFUQVVCL-UHFFFAOYSA-N 389.297 4.318 0 1 GIAF Cn1ccc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342929 QSCQIJHRRKJHSD-GMAHTHKFSA-N 377.415 4.461 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(-c3ccc(Br)cc3)[nH]1)O2 587372174 OGEUDUJURCCEAL-KRWDZBQOSA-N 398.260 4.436 0 1 GIAF Cc1ccc(Cn2nc(C)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587389296 GHLQBNLVCIYPPY-NRFANRHFSA-N 375.472 4.454 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccccc2)Oc2ccccc21 587412687 NXRKJDUZMTZNRF-XUZZJYLKSA-N 385.419 4.141 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCCc4sc(Br)cc41)[C@@H](C2)C3=O 587453025 OUXAGXWEEKOPSH-KPZWWZAWSA-N 391.286 4.498 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(C2CCCC2)c1 587580328 HRQUTCQXBGDBOT-DENIHFKCSA-N 376.412 4.407 0 1 GIAF CCCC[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597197 QAUZCRWCABGCDV-ICPLQIHGSA-N 398.455 4.482 0 1 GIAF COc1cc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587722582 SSVBSWRXXRTAPJ-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF CC(=O)Nc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587850191 YCQRNCZXWDWVOU-PWJLMRLQSA-N 383.286 4.232 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H]1Cc2ccccc2O1 587863256 WJJHFONPXBKCKC-KRWDZBQOSA-N 388.345 4.221 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)Nc1ccccn1 587864935 VRTFZKACLRZQDR-UHFFFAOYSA-N 378.379 4.218 0 1 GIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12CCc1ncccc12 961777846 OKKPNOAUVZIKEH-DEOSSOPVSA-N 391.515 4.423 0 1 GIAF Cc1ccc(C)c([C@]2(CC3OCCO3)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963113625 VDJPMVHAPFFNOU-RDPSFJRHSA-N 381.491 4.470 0 1 GIAF O=C1[C@@H](Cc2ccccc2)C[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1 6580870 KNIMVRKAZMLCST-ISJGIBHGSA-N 385.507 4.250 0 1 GIAF N=c1c2ccccc2nc2n1CC/C2=C\c1ccccc1I 101013635 RFLSPNMEACALKF-NOYHUVOJSA-N 399.235 4.065 0 1 GIAF NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNC2Cc3ccccc3C2)cc1 66058793 WAMNYXSYMFPZCW-UHFFFAOYSA-N 397.522 4.127 0 1 GIAF CC(=O)OC[C@H](CCO)CC[C@@]1(C)[C@@H]2CCC=C(C(=O)O)[C@]2(C)CC[C@H]1C 2356448042 NHICXBFHDXVLOW-IMYNKSMASA-N 380.525 4.192 0 1 GIAF CC[C@H](C)C[C@H](C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@H](C)c1cc(O)c(C)c(=O)o1 2356521028 HKDIFJFYZMZJPA-DOBOIMOESA-N 380.525 4.134 0 1 GIAF CCOC(=O)c1ccoc1-c1ccc2ncnc(NCc3csc(C)n3)c2c1 64732128 NWOZHVIIFQAKMT-UHFFFAOYSA-N 394.456 4.444 0 1 GIAF Cc1c(Cl)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1 71294917 FFENCJNTMAOQOD-UHFFFAOYSA-N 382.891 4.347 0 1 GIAF COc1cc(/C=C2\CCCN3C2=NOC[C@@H]3CC(C)C)ccc1-n1cnc(C)c1 95574005 SEMGDCNPEKJXOY-FHTAPLDASA-N 394.519 4.427 0 1 GIAF c1ccc(OCCNC[C@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1 142301647 BQBVUOHGBBXQLG-DEOSSOPVSA-N 389.495 4.014 0 1 GIAF CC(C)[C@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1ccc(Cl)cc1 96932406 LJUMNHOHIHZKRX-INIZCTEOSA-N 381.259 4.092 0 1 GIAF Nc1ncccc1C(=O)Nc1ccc2[nH]c(CCCOc3ccccc3)cc2c1 618010339 UCTCVYVTNHWDMZ-UHFFFAOYSA-N 386.455 4.409 0 1 GIAF C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(Cl)cc3)nn21 473096970 BLLHYNOHSXJZLV-CYBMUJFWSA-N 385.826 4.476 0 1 GIAF CCCn1cnc2cc(-c3nc4cc(OC)ncc4[nH]3)cc(Br)c21 587003166 GSQVARWYDHGFDV-UHFFFAOYSA-N 386.253 4.156 0 1 GIAF CCCc1ccc([C@@]2(CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447124 LTUQPFKBZGMFFN-WZONZLPQSA-N 380.440 4.155 0 1 GIAF CC(C)CCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595940 MAPDKUFUYOEFFF-UGKGYDQZSA-N 384.428 4.092 0 1 GIAF FC(F)(F)c1ncc2nc(-c3nc(Br)sc3C3CC3)nc-2[nH]1 587013285 RSNTUVNMVCFKCY-UHFFFAOYSA-N 390.188 4.087 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(OC)cc1)CC2=O 587485127 ZMSZMJPTSAGFMH-JOCHJYFZSA-N 384.428 4.079 0 1 GIAF COc1cc(Br)cc(C=O)c1OCc1nc2ccc(Cl)cc2[nH]1 586980173 PJNHAYVSMWMXRI-UHFFFAOYSA-N 395.640 4.379 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12COCc1cccc(Cl)c12 587551628 HSPHAOCOMQVXIS-UGKGYDQZSA-N 394.810 4.433 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3c(C(=O)O)cccc32)N1 587824938 DQDZTAHIKBPSIW-DGIBIBHMSA-N 390.252 4.010 0 1 GIAF COc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587544499 DXNAXHMXWDBYQH-VQIMIIECSA-N 383.787 4.152 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)nc1NC(=O)C(C)(C)C)O2 587380611 WSSIZCXYAWTDDW-HNNXBMFYSA-N 387.867 4.317 0 1 GIAF COC(=O)CCCC[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596480 VUVYHQKZAJOMHI-NQKDMWHGSA-N 398.455 4.482 0 1 GIAF CCOC(=O)[C@@H]1[C@H](C)CC=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587792761 CQRTWXJGLXJMKF-VAOGDNLBSA-N 396.300 4.093 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1nn(CC)cc1Br)CC2=O 587458128 GOZZWSJEXIJNPH-OAHLLOKOSA-N 379.254 4.030 0 1 GIAF Cc1cc(=O)oc2cc(OCc3cc(-c4ccc5c(c4)OCCO5)no3)ccc12 1772640532 HXSSOTFNAGMPLH-UHFFFAOYSA-N 391.379 4.107 0 1 GIAF COc1ccc([C@H]2C(=O)c3c(OC)cc(OC)cc3O[C@H]2c2cccnc2)cc1 13220573 KSVXEEMRTGJPEI-REWPJTCUSA-N 391.423 4.208 0 1 GIAF CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C(=O)O)o1 13739750 WFUZGZCNMROISX-UHFFFAOYSA-N 388.851 4.378 0 1 GIAF O=C(c1ccc(F)cc1)N1N=C(c2ccc(F)cc2)C[C@]1(O)c1ccc(F)cc1 1857775245 DCDYCJKMEFXZIM-QFIPXVFZSA-N 396.368 4.199 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4295397 UHNNDVPWVOQUTI-HBMCJLEFSA-N 384.476 4.143 0 1 GIAF CCCN(CCC)c1cc(C)nc2c(-c3c(C)cc(N(C)C)nc3C)cnn12 13583116 YUSMUHCLTFNPGE-UHFFFAOYSA-N 380.540 4.409 0 1 GIAF Cc1ccc(N2CC[C@@H](NC(=O)Nc3ccccc3Br)C2)cc1F 14973982 KTUAVJMNKVCKAO-CYBMUJFWSA-N 392.272 4.297 0 1 GIAF Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC[C@@H]2C)cc1 35816116 VHZWOLIOEMDWAI-SFHVURJKSA-N 391.515 4.337 0 1 GIAF CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)c(Cl)cn1 38215663 JMRBTHGMBQQAQI-LJQANCHMSA-N 398.894 4.014 0 1 GIAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(F)ccc(O)c2c1=O 96906840 HVMSSXOSTCXBHS-UHFFFAOYSA-N 389.382 4.260 0 1 GIAF COc1cccc(-c2ccc(N(C)S(=O)(=O)c3cccc(OC)c3)cc2)c1 96935505 YFYJPTJQMCYDHJ-UHFFFAOYSA-N 383.469 4.196 0 1 GIAF CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4cc(F)c(C)cc43)CC2)CC1 101638179 OFKIADWOPUKZHM-LMTLIKQPSA-N 390.499 4.417 0 1 GIAF CCN1C/C(=C\c2ccccc2F)C2=NC(=S)N[C@@H](c3ccccc3F)[C@@H]2C1 169730321 YWHIVJAXFRWJPG-ZWPJVJPNSA-N 397.494 4.370 0 1 GIAF CN(c1nc2cc(C(=O)O)ccc2nc1-c1cc2cc(F)ccc2o1)C1CC1 205429075 LJRGPOSGNRRDNU-UHFFFAOYSA-N 377.375 4.479 0 1 GIAF COc1ccc2c(c1OC)[C@@H](c1cc(Br)ccc1F)CC(=O)N2 219425250 NYFVHYVDNKTWQS-LLVKDONJSA-N 380.213 4.080 0 1 GIAF O[C@H](COc1cccc(-c2ccc3nc[nH]c3c2)c1)CN1CCc2ccccc2C1 219778372 YIIZZGTVZSAXRY-QFIPXVFZSA-N 399.494 4.028 0 1 GIAF CC(C)[C@@H]1CC[C@@]2(C)CCC[C@](O)(CO)[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1 238775314 SHCWSGOALRNDNR-JFFZDVAVSA-N 386.532 4.207 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 586915307 CIISIUVQZFVUAJ-UGSOOPFHSA-N 375.350 4.193 0 1 GIAF CC(=O)Nc1ccc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586989011 WERVLMGSRMVCMI-UHFFFAOYSA-N 396.402 4.483 0 1 GIAF Fc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1Br 587076021 NZNRAOXNOVOUGS-UHFFFAOYSA-N 392.619 4.366 0 1 GIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587112479 HQTQPUMADFMLMN-AWEZNQCLSA-N 389.356 4.149 0 1 GIAF CC(C)[C@H](c1nc2cc(Br)cnc2[nH]1)N(C)C(=O)OC(C)(C)C 587197586 JECKZANCDKPEQU-GFCCVEGCSA-N 383.290 4.284 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587233149 JFHQKCGJQKIDCU-VHSXEESVSA-N 381.379 4.045 0 1 GIAF Nc1ccc2c(c1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333795 IDYZHFSOEGTGTM-JTHBVZDNSA-N 375.399 4.314 0 1 GIAF CCC[C@@]1(C2CCNCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346988 KGXXZCATJXPZDP-GMAHTHKFSA-N 383.463 4.429 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1ccc(F)c(Cl)c1)O2 587381574 JHQZVSODTDFODM-IBGZPJMESA-N 377.799 4.095 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(C45CC6CC(CC(C6)C4)C5)n[nH]1)[C@@H](C2)C3=O 587438444 FPJPTEIMVMVYSE-YATVJBAUSA-N 390.483 4.375 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1N[C@H]1c1ccccc1)[C@@H](C2)C3=O 587440774 QKJXQOHWXPTOCC-UGZNWAIPSA-N 383.447 4.051 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(=O)O)cc4)o1)[C@@H](C2)C3=O 587455241 KUGVZXAKJCAIFD-BTYIYWSLSA-N 376.364 4.142 0 1 GIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(C(F)(F)F)ccc12 587505480 HHRRKKMEDNNUKD-HXUWFJFHSA-N 387.357 4.397 0 1 GIAF CN(C)Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587571460 LEDAGPYIQSICEF-NZQKXSOJSA-N 375.424 4.157 0 1 GIAF CCc1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn12 587588671 RFQCHTBXKSOHSX-XXBNENTESA-N 386.407 4.305 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCN(C1CCCC1)C2 587594972 NYTAJYJTYWFMHI-NZQKXSOJSA-N 379.456 4.131 0 1 GIAF CCOC(=O)[C@H]1CC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587595644 LJVLOPSKOGAQRU-STAGFUQPSA-N 396.439 4.092 0 1 GIAF COC(=O)CCCC[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596484 VUVYHQKZAJOMHI-UYGSHGSRSA-N 398.455 4.482 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(F)F)([C@H]2CCCCC2=O)N1 587721137 VXVXYMVYVHOKQW-NVTQBHAOSA-N 390.243 4.342 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)c(F)c2)N1 587725089 NGSWUMRCNFVAQN-PWJLMRLQSA-N 382.204 4.049 0 1 GIAF Cc1nc2ccccn2c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587773060 HSIZLPJHSBBMKU-WLRWDXFRSA-N 388.284 4.342 0 1 GIAF CC[C@]1([C@@H](C(=O)OC)C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808532 OHADRTNVMYWWNO-UCMVZMLTSA-N 386.305 4.173 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2C(=O)O)N1 587826379 KRTJHNBSDDIRKZ-MGNBDDOMSA-N 378.241 4.084 0 1 GIAF COc1ccc2c(c1)OC=C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587840307 IETZIKYDFLAKSW-NSPYISDASA-N 390.252 4.281 0 1 GIAF COc1ccc([C@@H](c2ccccc2)c2nc3nc(Br)c[nH]c-3n2)cc1 587933602 SECZPVPKVSZYAV-MRXNPFEDSA-N 395.260 4.256 0 1 GIAF COc1ccc(-c2cc(C(=O)N[C@H]3CCOc4ccccc43)co2)cc1OC 621430218 NMXQSTINIXMGIJ-KRWDZBQOSA-N 379.412 4.217 0 1 GIAF CCC[C@]1(CCC(C)=O)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963178392 JRMNHZYSVHTIBJ-NVXWUHKLSA-N 391.817 4.322 0 1 GIAF COc1cccc(C2=C[C@H](c3ccc(Br)cc3)NC(=S)N2)c1 1772577676 JVDAHZUNKRHREB-OAHLLOKOSA-N 375.291 4.018 0 1 GIAF CCCCC[C@@H]1C=C[C@H]2[C@H](CC=CCCCC(=O)O1)[C@H](O)C[C@H]2OC(C)=O 2356495068 DKLUJLHAYRSKSQ-XDWAVFMPSA-N 378.509 4.094 0 1 GIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](OC(C)=O)c3c(C)coc3C(=O)[C@H]12 2356559974 QJHPTOGFYPFVNS-NAAVVGRGSA-N 388.460 4.319 0 1 GIAF CC[C@H](C)[C@@H]1O[C@H](c2c(O)c(-c3ccccc3)cn(OC)c2=O)[C@H](C)C[C@@H]1C 2356738623 WGEGPIRBSMWCPA-OZPJSICHSA-N 385.504 4.428 0 1 GIAF OCCN1CCN([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 596855 KZIRWQDAAMOPNE-NQIIRXRSSA-N 391.342 4.180 0 1 GIAF O=C(Nc1ccc2c(c1)OCO2)c1oc(=O)c2ccccc2c1-c1ccccc1 2940008 CDVJFDKPPFWRKO-UHFFFAOYSA-N 385.375 4.441 0 1 GIAF Cc1cc(-c2c(F)cc3c4nn(C)c(=O)c-4cn(C4CC4)c3c2F)cc(C)n1 27406647 IERVWCOCTADCRG-UHFFFAOYSA-N 380.398 4.132 0 1 GIAF CCS(=O)(=O)N(Cc1cccnc1)c1cccc(OCc2ccccc2)c1 26840397 XOPZEZAYWQXOFC-UHFFFAOYSA-N 382.485 4.017 0 1 GIAF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1c2cccc1N1CCOCC1 103062786 NHEXLHUDZFZFTD-WIYYLYMNSA-N 378.472 4.094 0 1 GIAF Fc1cc(F)cc(CN2C[C@H]3[C@@H](CNc4nc(-c5ccccn5)cs4)[C@H]3C2)c1 101637795 NSSPIUDGJYCCFF-BCDXTJNWSA-N 398.482 4.273 0 1 GIAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)CCC3=C([C@]4(C)CCCC(C)(C)C4)CC[C@H]1[C@@H]32 2356805433 VILIFGZHAXVZTP-RMJIQZSRSA-N 376.493 4.498 0 1 GIAF O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCC[C@@H]3C3CCCCC3)c2s1 62224928 XEDUTQMPNJLZKT-HFTRVMKXSA-N 390.549 4.057 0 1 GIAF COc1cc2c(cc1OC)[C@@H]1C[C@H](N)[C@@H](c3cccc(C(C)C)c3)CN1CC2 34430653 DFRKXRAANPFWQN-FSSWDIPSSA-N 380.532 4.241 0 1 GIAF COc1cc2c(cc1OC)C(=O)N1C=C(c3cnc4ccccc4c3)C[C@H]1C=N2 49803713 CWDSXHHSIMFRBL-KRWDZBQOSA-N 385.423 4.224 0 1 GIAF O=C(OCCCF)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1cccc(/C=C\Br)c1)N2 40393554 VKZWZSZGPDLBNV-OCOSSBLBSA-N 396.300 4.179 0 1 GIAF Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(F)c(Cl)cc21 45496202 RUFDOJCBPILYMQ-UHFFFAOYSA-N 394.789 4.284 0 1 GIAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@]341 195193790 IYMLCJZYVKMKSH-VCKZZREYSA-N 398.506 4.458 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 586938065 UKGUIPZLZJDQLT-VIFPVBQESA-N 399.303 4.009 0 1 GIAF Cc1nn(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1Cl 587542913 AQOIOWAKJGTQDB-UWJYYQICSA-N 398.846 4.279 0 1 GIAF C[C@@H]1C[C@H](C(=O)O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354738 RFUQGYQRRMCHCE-VGMLCASCSA-N 384.403 4.150 0 1 GIAF CN1CCN(c2ccc3nc(-c4ccc5cc(Cl)ncc5c4)[nH]c3c2)CC1 587085423 RRWCEYHSLDYSKC-UHFFFAOYSA-N 377.879 4.183 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@H]1CC[C@]2(C)C1(C)C 587818303 PYMZQHKMOZORJX-ZUZKAXPWSA-N 380.301 4.343 0 1 GIAF COc1cc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587597501 ZBSFTKVSGUSDSN-NZQKXSOJSA-N 392.407 4.069 0 1 GIAF O=C1C[C@](C(=O)O)(c2ccc3c(c2)CCCC3)Oc2c1ccc1c2CCCC1 587529283 MUTCWVJDKPFPMB-XMMPIXPASA-N 376.452 4.390 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccc(O)c3n2)N1 587776453 CVPINRZSRCCNQI-DGIBIBHMSA-N 387.252 4.466 0 1 GIAF COc1cccc2c1CC[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602135 WOEWJEHYMIVYDG-URXFXBBRSA-N 388.419 4.290 0 1 GIAF COc1ccc([C@]2(CCN(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508465 WAXQXTVJEJBDRJ-DEOSSOPVSA-N 379.500 4.386 0 1 GIAF O=C(O)c1ccc(-c2cc(-c3nc4cnc(Cl)[nH]c-4n3)ccc2F)cc1F 587138971 YHLJQCFJEQEBTD-UHFFFAOYSA-N 386.745 4.268 0 1 GIAF O=Cc1ccc(OCc2occc2-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 586900888 NZAYUGAWODEXGE-UHFFFAOYSA-N 380.331 4.052 0 1 GIAF CCOC(=O)C[C@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799227 RHCVECBAOLKDJN-BBATYDOGSA-N 384.289 4.071 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C[C@H](C(=O)O)C2(C)C)N1 587832554 ZEKKCUNXGPXVEH-VVUFOAKVSA-N 384.289 4.085 0 1 GIAF COc1ccc2c(c1)OCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587832278 BGIKESQJLKRRIS-JEOXALJRSA-N 392.268 4.157 0 1 GIAF CC1(C)CN(c2ccc([C@]3(c4ccccc4)NCCc4ccc(O)cc43)cc2)C1=O 963342737 SIZWPJKQVZCYHP-SANMLTNESA-N 398.506 4.203 0 1 GIAF CCOC(=O)COc1ccccc1[C@@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963113037 YUEGBTVNJIKVRT-FDDCHVKYSA-N 383.463 4.052 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccc(-n2ccnc2)cc1 606854 CRNIOQZXORLTLC-ASBZNUFUSA-N 395.459 4.074 0 1 GIAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCOCc3ccccc32)cc1 13757944 PKJHHJMHOFCZLY-UHFFFAOYSA-N 386.451 4.424 0 1 GIAF Cc1ccn(-c2ccc3c(c2)NCC3(C)C)c(=O)c1-c1ccc2nc(N)ncc2c1 16052723 LHLGUOHREUTYTO-UHFFFAOYSA-N 397.482 4.041 0 1 GIAF in-vivo O=C(OCCOc1ccccc1)c1sc2ccccc2c1OC1CCNCC1 169307396 AFYRMHPDNVZAFQ-UHFFFAOYSA-N 397.496 4.268 0 1 GIAF Cc1ccnc(N2CCN(C(=O)N(CC3CC3)c3ccc(Cl)cc3)CC2)c1 169340555 INUZXQKBGCMTBG-UHFFFAOYSA-N 384.911 4.202 0 1 GIAF CC1(C)OCC(N)=N[C@](C)(c2cc(Nc3cncc(F)c3)ccc2F)C1(F)F 169702901 QDHCAUCHZFEKAE-GOSISDBHSA-N 396.388 4.120 0 1 GIAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)C[C@@H]12 205210662 PBKGYORJZSMJEE-RHSMWYFYSA-N 375.255 4.177 0 3 GIAF NC(=O)c1ccc(Oc2cccc(C(=O)N3CC[C@@H](c4ccccc4)C3)c2)cc1 1857753063 WDWIGSXTKMTQPI-HXUWFJFHSA-N 386.451 4.208 0 1 GIAF Cc1nn(C)c(C(=O)NC(c2ccccc2)c2ccccc2)c1Br 103195125 HMRPIRSSXHIJIA-UHFFFAOYSA-N 384.277 4.010 0 1 GIAF C[C@@H]1C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(C(=O)C(C)(C)C)cc1 27195276 IPCPSNUGFLGJAU-QVKFZJNVSA-N 394.471 4.008 0 1 GIAF Cn1c(=O)ccc2cc(COc3ccc4c(c3)CCN(C3CCC3)CC4)ccc21 103244678 JBIYYPWYTHJKBM-UHFFFAOYSA-N 388.511 4.071 0 1 GIAF Cc1cccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)c1 113391323 VGZURWBDIUDKNM-UHFFFAOYSA-N 395.470 4.410 0 1 GIAF CC(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCC1)C2 28955259 BLMFCUBJOMEWGH-UHFFFAOYSA-N 393.531 4.432 0 1 GIAF CN[C@@H](CCSC)c1nccc2c1[nH]c1ccc(O)c(Br)c12 2356625670 VHEJLRVZDXYLCG-NSHDSACASA-N 380.311 4.198 0 1 GIAF COc1ccc(CN(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 28825426 CNDOHBNSSCZYEQ-RLAPIPATSA-N 380.488 4.464 0 1 GIAF O=C(N1CC[C@]2(c3c[nH]c4ncccc34)C[C@H]12)C1(c2ccc(Cl)cc2)CC1 68197800 KXCFQRTUSWKVDX-PGRDOPGGSA-N 377.875 4.191 0 1 GIAF Fc1ccccc1NC(=S)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 504175500 AMMVHVUHCPVNCO-PZBISTMVSA-N 385.552 4.418 0 1 GIAF biogenic O=C(Nc1ccccc1Cl)c1cc([C@@H]2CCCCN2C(=O)OCCF)on1 61903517 NEEPLEOASXTWEZ-HNNXBMFYSA-N 395.818 4.213 0 3 GIAF O[C@@H](CCCN1CCN(c2nccc3sccc23)CC1)c1ccc(F)cc1 34186877 YZSXHWKLZRAMBW-IBGZPJMESA-N 385.508 4.071 0 1 GIAF CC1(C)Oc2ccc(-c3ccccc3)cc2[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1O 40503686 ZGSSQCRTIJGLTO-YADHBBJMSA-N 391.442 4.496 0 1 GIAF COc1ccc([C@H](N)c2ccc3sc(-c4ccnc(N)n4)c(C)c3c2)cc1 49045251 WOXPVFLBCQFWPE-IBGZPJMESA-N 376.485 4.306 0 1 GIAF COc1cccc(-c2csc(N3CCC[C@H]3C(=O)NC3CCCCC3)n2)c1 82192399 AZZNDCWNDFGQBF-IBGZPJMESA-N 385.533 4.236 0 1 GIAF CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Br)cc1 43072686 SWSWTYDWMFMKAF-UHFFFAOYSA-N 382.308 4.043 0 1 GIAF O=C(NCC1CCOCC1)c1cnc(Nc2cccc(F)c2)cc1C(F)(F)F 40877948 HZTRJTGVZCBDNG-UHFFFAOYSA-N 397.372 4.140 0 1 GIAF OCc1cc(COc2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)on1 45390071 GDDKNULSPACAGC-UHFFFAOYSA-N 392.255 4.332 0 1 GIAF CN(Cc1ccc(F)cc1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O 84653945 PFWCDRDAHPFCDI-UHFFFAOYSA-N 389.430 4.271 0 1 GIAF CCOC(=O)[C@@H](C)Oc1ccc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 84670246 PCTMRCZSLFTMPG-XSXQVXRUSA-N 386.492 4.107 0 1 GIAF C[C@H]1CCCN1[C@@H]1CC[C@H](c2ccc(N3CCC4(CCC(O)CC4)C3=O)cc2)C1 147075375 IGCTYQJNPOEVBM-FVKYJWGISA-N 396.575 4.465 0 1 GIAF COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C2=NC(=O)CS2)cc1 95578365 YKNCVASLEMNJKB-LJQANCHMSA-N 379.485 4.093 0 1 GIAF C[C@@H]1C[C@@H](O)[C@@]2(C)[C@@H](CCC(=O)[C@@H]2C)[C@@]1(C)COc1ccc2ccc(=O)oc2c1 238733206 XYUJBOZUFFMPGO-JMVJGELUSA-N 398.499 4.200 0 1 GIAF COc1cc(S(=O)(=O)c2csc3ccccc23)cc2c3c(oc12)CCNC3 147537455 NGARHIYYRXPVID-UHFFFAOYSA-N 399.493 4.135 0 1 GIAF C[C@@]1(c2ccc(F)c(NC(=O)c3ccc4ccccc4n3)c2)CCSC(N)=N1 96174340 FQAMTABCBYLSGA-NRFANRHFSA-N 394.475 4.293 0 1 GIAF O=C1COc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2N1 587105893 GQKLBFJSLMBEBW-UHFFFAOYSA-N 378.387 4.444 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(=O)C(F)(F)F)c2c1 587650030 UUZMJNXSEYLGNO-UHFFFAOYSA-N 385.338 4.123 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2c(s1)CCCC2 587615942 AIGPYJWUARIXPK-XLIONFOSSA-N 379.437 4.430 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ncco1 587590357 ZLBQIZXPHXDEHG-WMZHIEFXSA-N 385.375 4.286 0 1 GIAF O=C1O/C(=C/c2nc3c(Cl)c(Br)cnc3[nH]2)c2ccccc21 586906761 QFRBSFCUIPXSMZ-BJMVGYQFSA-N 376.597 4.042 0 1 GIAF Cc1cc(=NC(=O)c2c(C)[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c23)[nH]o1 587625210 BUFAUYGZDOPHPS-UHFFFAOYSA-N 391.271 4.485 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cc3ccc[nH]3)[nH]2)N1 587790869 JJJOKZBLTHGMRG-WLRWDXFRSA-N 388.284 4.459 0 1 GIAF COc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)c(I)c1 587180530 TZSJJWFKWSKDLY-UHFFFAOYSA-N 378.213 4.460 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc4c(cc32)OCO4)N1 587836579 AMZAOMMVFPCDDK-APBUJDDRSA-N 390.252 4.041 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 587356812 RMXNPPQSHDWMKR-GMAHTHKFSA-N 376.383 4.438 0 1 GIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 587934366 CUDNCSQBFUYLRB-CLAHSXSESA-N 396.672 4.220 0 1 GIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c1 586880606 ABGDRVYVIULZMM-UHFFFAOYSA-N 397.434 4.409 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(F)c(Br)cc41)[C@@H](C2)C3=O 587427034 GLUBCABRJRKBSU-ORAYPTAESA-N 389.220 4.186 0 1 GIAF CN[C@@H](c1cccnc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587221181 FVFAZUQTVNNVFF-LBPRGKRZSA-N 385.187 4.048 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)C(F)(F)C1 587132489 QYLWIXJIBSVYIM-ZETCQYMHSA-N 393.221 4.234 0 1 GIAF O=C(Nc1nc(Cc2nc3cnc4ccccc4c3[nH]2)cs1)c1cccs1 587019653 SJJIHPYSYYTQIV-UHFFFAOYSA-N 391.481 4.472 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)c3ccccc32)N1 587767780 KTEPGBYMDDKOFT-CWTRNNRKSA-N 375.285 4.206 0 1 GIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4c(C)ccc(C)c4[nH]3)CC2)cc1 586955534 QFZVWYVEWKEBSF-UHFFFAOYSA-N 383.517 4.056 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(=O)OCC)c(C)nc1C)CC2=O 587485670 JPPDAPINQAZYAH-QHCPKHFHSA-N 397.471 4.414 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccc(C(F)(F)F)n2)N1 587716350 UTCVNBSSEYOCPC-FUXBKTLASA-N 390.178 4.021 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nc(C)cc1C 587860029 LQPKEUQPJKXOSW-UHFFFAOYSA-N 393.274 4.409 0 1 GIAF O=C(O)c1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586959204 JMSWAHVVSYCNAK-NDEPHWFRSA-N 390.464 4.299 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cc3ccc[nH]3)[nH]2)N1 587791286 LBHAVZRSZCBDRJ-WYRIXSBYSA-N 388.284 4.459 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2[C@H]2CCCCO2)N1 587759467 LCOGVGBYVRBDQB-AFBMGJRZSA-N 394.288 4.107 0 1 GIAF CCOC(=O)C[C@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797108 LRCGDIRUYOTWRX-BBATYDOGSA-N 384.289 4.071 0 1 GIAF CCC[C@H](C)OC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597203 UGQOBQIRQDWFIX-BANJIEJESA-N 384.428 4.234 0 1 GIAF CN1C(=O)CS/C1=C/[C@]1(C(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587538524 PIZDKEHAWNIRBI-PSXBWXLBSA-N 385.529 4.362 0 1 GIAF C[C@]1(c2nc3cccc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171826 BPKISPIEZCBWAU-QGZVFWFLSA-N 375.197 4.093 0 1 GIAF O=C(O)C1([C@@]2(c3ccccc3)NC3(CC3)Cc3ccc(Br)cc32)CC1 961613808 HVNVRFHXZSSCRV-NRFANRHFSA-N 398.300 4.236 0 1 GIAF COc1ccc2c(C)nc(N3CCC(NC[C@@H](C)c4ccccc4)CC3)nc2c1 12037849 IKWDFJRPUYUTSO-QGZVFWFLSA-N 390.531 4.309 0 1 GIAF O=C(NCc1ccc(Cc2c[nH]cn2)cc1)Nc1cc(Cl)nc(Cl)c1 13439956 JRVPVKHCCBQREK-UHFFFAOYSA-N 376.247 4.024 0 1 GIAF COc1cccc(Cc2cc3c(cc2-c2ccc(S(C)(=O)=O)cc2)OCO3)c1 13530427 SEZSKLSFNCZNCK-UHFFFAOYSA-N 396.464 4.085 0 1 GIAF CC(=O)Nc1ccc(/C=C2\C(=O)Nc3ccc(C(=O)c4cccs4)cc32)cc1 13538905 HMLSVNDPXFOHDK-WQRHYEAKSA-N 388.448 4.430 0 1 GIAF O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccccn1 169295371 VFVLWHDKTBYUNI-SCPDWHHUSA-N 380.447 4.325 0 1 GIAF COc1ccc(NC2=C[C@@H](c3ccco3)N(c3ccc(OC)cc3)C2=O)cc1 206954776 KGVJMPFKQBQELQ-FQEVSTJZSA-N 376.412 4.381 0 3 GIAF CC[C@H](C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1OC 1857548999 NACKWJOTQQJFQC-LAUBAEHRSA-N 377.488 4.403 0 1 GIAF CNC(=O)Cc1ccc(N=c2cc(-c3cccc(Cl)c3)[nH]c3c2CCC3)cc1 1857605595 NKNXGHSIYQVARV-UHFFFAOYSA-N 391.902 4.345 0 1 GIAF Clc1ccccc1CCN1CCN(c2n[nH]c3c2CCc2ccccc2-3)CC1 840721 DBPSAINLCKSSJL-UHFFFAOYSA-N 392.934 4.193 0 1 GIAF CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N(C)C 4204558 MPAFMGNVEJGQLU-IRLDBZIGSA-N 380.488 4.389 0 1 GIAF CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl 4296619 UMTWVSSLAQIGMX-DOTOQJQBSA-N 381.234 4.313 0 1 GIAF O=S(=O)(c1ccccc1)n1ccc([C@H](O)c2ccc(Cl)cc2Cl)c1 6581620 MEHZGLFMVPOEDY-KRWDZBQOSA-N 382.268 4.114 0 1 GIAF CC(=O)O[C@]1(C)CC(=O)c2c(cc3cc(OCC=C(C)C)cc(O)c3c2O)C1 13480351 JZZYGSWFNIPCJJ-QFIPXVFZSA-N 384.428 4.047 0 1 GIAF biogenic,in-vitro COc1cc2c(cc1OC)CN(C(=O)[C@H](Cc1ccccc1)C(C)(C)C)CC2 13588111 QBEZKPQJLYALCQ-FQEVSTJZSA-N 381.516 4.494 0 1 GIAF CC(C)(C)c1ccc(C(C)(C)C)c(C(=O)C[C@@H](SCC(=O)O)C(=O)O)c1 28471304 QMWLWAUAUFJOFE-MRXNPFEDSA-N 380.506 4.125 0 1 GIAF Cc1ccc(NC(=O)c2c(NCc3ccncc3)cnn2C)cc1C(F)(F)F 28890028 APNXAJAHRAPJHH-UHFFFAOYSA-N 389.381 4.007 0 1 GIAF C[C@H](Nc1c(-c2c(F)ccc(F)c2F)c(Cl)nc2ncnn12)C(F)(F)F 35090942 OYOGQNDXMWICRO-YFKPBYRVSA-N 395.694 4.225 0 1 GIAF CCCCC[C@H](CC(C)C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 40408017 GRHRIEGGIDFSED-ZIAGYGMSSA-N 381.991 4.283 0 1 GIAF COC(=O)Nc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1 45318249 HTVQKYMLRXMMGS-UHFFFAOYSA-N 385.427 4.285 0 1 GIAF C[C@H]1CN(C)C[C@@H](C)N1C(=O)c1cn2c3c(cccc13)OC[C@H]2C1CCCCC1 58512463 BHDCYDBSKKIYSQ-FVJLSDCUSA-N 395.547 4.320 0 1 GIAF COc1cccc(CN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)c1 101152071 CCSZSHPNZBSEMO-WOJBJXKFSA-N 380.488 4.464 0 1 GIAF C[C@H](C(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1)c1ccccc1 164798037 REQSCPKUQWXMLT-AWEZNQCLSA-N 384.439 4.071 0 1 GIAF CCN1CC[C@]23C[C@@H]4Nc5ccccc5[C@H]4C[C@H]2[C@H]1Cc1ccc(OC)c(O)c13 169373361 MGSQVKPJFDAIBR-ITERFQPLSA-N 390.527 4.277 0 1 GIAF COc1cc(O)ccc1[C@H]1CC(=O)c2c(O)c(C)c3c(c2O1)C=CC(C)(C)O3 169646500 VVRPWWPKYFKUQV-QGZVFWFLSA-N 382.412 4.306 0 1 GIAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3cccc(C#N)c3)nn3ccnc23)n1 204928529 PZWFFIQEBVUCCF-INIZCTEOSA-N 395.470 4.395 0 1 GIAF COC(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1OC 587031873 BNRDCTOTLCOMHU-UHFFFAOYSA-N 393.468 4.366 0 1 GIAF Cc1nn(-c2cccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c2)c(C)c1Cl 587065582 SRLLNDZCYTWPAV-GOSISDBHSA-N 380.839 4.410 0 1 GIAF Cc1noc([C@@H]2CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)n1 587347099 OGFXWTICTBTDGS-LQBOVUBWSA-N 394.402 4.288 0 1 GIAF COC(=O)c1coc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587353905 OEDRCFVLVDMDOC-DENIHFKCSA-N 396.370 4.185 0 1 GIAF O=C(O)CC[C@@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353942 OHWFUSZWCBPWJP-IRLDBZIGSA-N 396.370 4.244 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccc4c(c3)OCO4)cs1)O2 587413467 OJUQIRUDDVPASU-GOSISDBHSA-N 380.425 4.136 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)([C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2=O 587474023 BWAQWOCAQGVABQ-RCDICMHDSA-N 389.492 4.326 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(OC[C@@H]3CO3)cc1)CC2=O 587482224 DBVWRYCFWHDQEN-UZUQRXQVSA-N 382.456 4.393 0 1 GIAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CC(=O)O 587524773 MTPIGJGLJUTKAM-QHCPKHFHSA-N 380.440 4.082 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)cn1 587579243 TZYDSNYNSLZVMY-NFBKMPQASA-N 384.391 4.281 0 1 GIAF CC(C)CCOC(=O)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795674 REWGACCBZUXSQT-SGTLLEGYSA-N 386.305 4.317 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587811232 VWSQSDNLEMTEGO-VOJFVSQTSA-N 392.268 4.307 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@]1(C)CC[C@@H]2C1(C)C 587816965 GMEIZAJQKRURFS-YFTNOKGMSA-N 380.301 4.343 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(C)CC(=O)C[C@@]3(C)C2)N1 587817112 ILRJDURXANAOKY-YWCBWXAZSA-N 380.301 4.487 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C3(C)COC3)cc2)N1 587835879 RDWQGEZRHQLCCZ-CWTRNNRKSA-N 390.296 4.500 0 1 GIAF Cc1c(F)ccc2c1[C@H](c1sc(=O)n(Cc3ccccc3)c1Cl)NCC2 962299523 OIIGQIYQLFZVAX-QGZVFWFLSA-N 388.895 4.294 0 1 GIAF COc1cccc2cc3c(nc12)[C@@H](c1coc(-c2cccc(F)c2)n1)NCC3 963060233 RWXVTHWORMPJRX-OAQYLSRUSA-N 375.403 4.273 0 1 GIAF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)cc1O 2356523512 UUXOUABMYCIFOZ-IRMYBRCSSA-N 388.504 4.470 0 1 GIAF CCCCN(C(=O)CCC)[C@@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356860183 UCNDSQVWNHBDBV-HSZRJFAPSA-N 396.531 4.482 0 1 GIAF COC(=O)N1CCCC[C@H]1c1cc(C(=O)Nc2cccc3c2CCCC3)no1 61903278 HIVABYDEVBLXJE-SFHVURJKSA-N 383.448 4.099 0 3 GIAF O=C(O)CSc1nnc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 2523632 DIEIVRJOITXWSZ-UHFFFAOYSA-N 380.256 4.418 0 1 GIAF Cc1csc2nc([C@H](C)NC(=O)/C=C/c3ccc(Cl)s3)oc(=O)c12 3584889 CMLDUDYCFNNJRL-DNQSNQRASA-N 380.878 4.163 0 1 GIAF CCOc1ccccc1NS(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 4732862 KQHKMPJVOHPQND-UHFFFAOYSA-N 393.468 4.429 0 1 GIAF COc1cccc(-n2c(SCc3ccccc3F)nc3ncccc3c2=O)c1 6805039 SKUSOMIREZVWAB-UHFFFAOYSA-N 393.443 4.221 0 1 GIAF CC(=O)NS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1 13477362 QJXSTPCPFJGXDQ-UHFFFAOYSA-N 390.464 4.327 0 1 GIAF Cc1cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)cc(C)n1 13759012 RPGNTCCOEVQWIP-UHFFFAOYSA-N 394.494 4.090 0 1 GIAF CC(C)[C@H]1C(=O)N2C(C(=O)OCc3ccccc3)=C(Cc3ccccc3)S[C@H]12 26391355 KVCHDIXLACHWHX-SIKLNZKXSA-N 393.508 4.371 0 1 GIAF CCS(=O)(=O)c1ccc(OC)c(-c2ccc([C@H](C)N3CCCCCC3)[nH]2)c1 28242730 UFIWJALMIXDJPT-INIZCTEOSA-N 390.549 4.421 0 1 GIAF Cc1cc(NC(=O)C(=O)c2cn(Cc3ccsc3)c3ccccc23)sn1 29409647 PPAOYFXVDPPOJB-UHFFFAOYSA-N 381.482 4.337 0 1 GIAF CC(C)c1cnn2c(Nc3cccc(Cl)c3)nc(N[C@@H](CO)C(C)C)nc12 42187870 XCRSLBLUJPTVDN-INIZCTEOSA-N 388.903 4.074 0 1 GIAF CC(C)[C@@H](C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1 84670372 HEVYJRZHYSRHDM-UEQSERJNSA-N 376.544 4.453 0 1 GIAF CN1CC/C=C/CCCCCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1=O 95921284 UIQMIQCVIZUPCD-FNORWQNLSA-N 379.884 4.235 0 1 GIAF in-vitro CC(=O)c1cccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)c1 101076748 YQAFGLMLMGDNLK-UHFFFAOYSA-N 391.492 4.482 0 1 GIAF Cc1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 103241848 JGHSBWAMLKSGST-UHFFFAOYSA-N 389.478 4.018 0 1 GIAF Cc1cn(-c2ccc3c(=O)n(Cc4cccc(C(F)(F)F)c4)ccc3c2O)cn1 103247223 BAFZDGGODDOWMV-UHFFFAOYSA-N 399.372 4.268 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@H]1c1ccccc1C(F)(F)F 169692144 PWPMTRPKIXBNDI-NVXWUHKLSA-N 397.393 4.280 0 1 GIAF CCCCC(C)(C)[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 195380087 MZFSUBMVKUYQSC-GVKJNHDZSA-N 392.536 4.102 0 1 GIAF COc1cc(CNC(=O)c2ccccc2-c2ccc(F)cc2)cc(OC)c1OC 299861654 IORHKCYZJGPJKE-UHFFFAOYSA-N 395.430 4.449 0 1 GIAF COc1cccc2[nH]c(-c3cccc(=O)n3CCOc3ccccc3Cl)nc12 587064149 NEKXTONIHSAVOP-UHFFFAOYSA-N 395.846 4.133 0 1 GIAF FC(F)(F)c1cncc(-c2nc3ccc(I)cc3[nH]2)c1 587115582 QJVUEGGNNLEZDM-UHFFFAOYSA-N 389.118 4.248 0 1 GIAF CC(C)(C)c1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2n1 587149181 MRPUEGWWNDZMQD-CYBMUJFWSA-N 384.430 4.050 0 1 GIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)cc(F)c2[nH]1 587174160 FORHPTWVCNAFHM-CYBMUJFWSA-N 391.219 4.327 0 1 GIAF Cc1c(Cl)ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c12 587234901 ASFWWFVIXPYDOK-UHFFFAOYSA-N 377.872 4.388 0 1 GIAF C[C@]1(c2cc(O)cc(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356519 PXTHSXDEOJSKGQ-IFMALSPDSA-N 380.371 4.217 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccccc2)Oc2ccccc21 587412688 NXRKJDUZMTZNRF-ZJSXRUAMSA-N 385.419 4.141 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(F)(F)C(F)F)cc1)[C@@H](C2)C3=O 587420291 FHSMLOSTEVSOQZ-GUYCJALGSA-N 382.309 4.421 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cccc(CNC(=O)OC(C)(C)C)c1)[C@@H](C2)C3=O 587433678 TYUSFZAEKWGYIM-UWJYYQICSA-N 395.455 4.209 0 1 GIAF CCCCCn1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587578515 APGSIFMBJLIMFP-SIKLNZKXSA-N 378.428 4.482 0 1 GIAF CC(C)Oc1ncccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586161 HWEKOXIETOXFKB-WMZHIEFXSA-N 391.423 4.451 0 1 GIAF COc1cccc2c1OCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611442 RLIFBSAGMFNTMB-CVDCTZTESA-N 390.391 4.040 0 1 GIAF Cc1cc(C(=O)O)sc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614339 RYDAITCKVQDXCS-CRAIPNDOSA-N 382.393 4.163 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccc(C(F)(F)F)n2)N1 587715065 RGLXXHJWTISALT-UHLUBPPHSA-N 390.178 4.021 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(=O)O)ccc2F)N1 587720145 RJPOGTDQVUNMJN-BCTVWOGZSA-N 382.204 4.049 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc3ccc(F)cc3[nH]2)N1 587736403 VWOQTPJOBAXSLJ-YYSFKGJASA-N 392.247 4.401 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3ccc(F)cc32)N1 587736655 WRDWSVMLXRGXKV-MLCYQJTMSA-N 379.248 4.321 0 1 GIAF CCOC(=O)[C@@H]1[C@H](C)CC=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587798519 OTFDEHBGKVYVBM-JWUMNEAUSA-N 396.300 4.093 0 1 GIAF CCOC(=O)c1ccsc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587844087 LZPRXFOZPNCLDU-PSLIRLAXSA-N 398.297 4.450 0 1 GIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587927380 PUGVKMXPKKSFOR-CQSZACIVSA-N 380.423 4.447 0 1 GIAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4CC=CC[C@H]4C)[nH]c3c2)cc1 587969851 ATTTWWXPABWJDL-RDTXWAMCSA-N 397.500 4.442 0 1 GIAF COC(=O)[C@]1(C)[C@@H](O)CC[C@]2(C)c3cc4c(cc3C(=O)C[C@H]21)[nH]c1ccccc14 653745173 YSJQFTPGPPBWEH-JSRBNTPPSA-N 391.467 4.115 0 1 GIAF CSCC1CCC2(CC1)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N21 962660439 HJHNSWTUSMDMJO-KGSCVUAUSA-N 384.545 4.082 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccc(O)c(C(F)(F)F)c2)N1)C(F)(F)F 962731445 SBHZHENPSWSARQ-DZGCQCFKSA-N 389.295 4.146 0 1 GIAF CSc1ccc([C@]2(C(C)C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963226330 LKPHNHDOEXDMBN-GGAORHGYSA-N 392.524 4.455 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](C[C@@H]1CCCN(Cc3ccccc3)C1)C2 1772622096 LKYMOSKDWXXCSI-ICSRJNTNSA-N 379.500 4.361 0 1 GIAF COCCS(=O)(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12 1857642880 XIKLPYOAQPVCPV-UHFFFAOYSA-N 380.469 4.376 0 1 GIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CC[C@]3(COC(=O)C3)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 2356663787 VMSPIYCFMMEMSY-XJRFDCAVSA-N 378.509 4.025 0 1 GIAF C[C@H](NC(=O)NC1CCCCC1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356695774 WOMKKYVSJZGTKG-NSHDSACASA-N 391.855 4.386 0 1 GIAF O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@H]2CCCCN2C(=O)C2CC2)on1 61904572 RXCPRHPKVXAAOR-MRXNPFEDSA-N 391.830 4.183 0 3 GIAF COC(=O)c1ccc(OCc2ccc3oc(=O)c(-c4ccccc4)nc3c2)cc1 1633398 GRBXHWPKQLQOAY-UHFFFAOYSA-N 387.391 4.221 0 1 GIAF FCCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 58575548 SNNROGFAGCOBBW-UHFFFAOYSA-N 382.479 4.489 0 1 GIAF NCCCCN(CCCNCCCc1ccccc1)CCCc1ccccc1 26569684 ZHBSCAAZEGXZMV-UHFFFAOYSA-N 381.608 4.273 0 1 GIAF Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@H]2CNCc1ccco1 2356843840 NPYQLEBYAVPENP-ZJOUEHCJSA-N 382.552 4.028 0 1 GIAF CC(C)C(=O)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1 28641997 GYBKTTNXKZFJGM-UHFFFAOYSA-N 386.887 4.267 0 1 GIAF CC(=O)Nc1ccc(Sc2nc(Nc3cc[nH]n3)c3ccccc3n2)cc1 34056390 WHSOGGOFMJGWDM-UHFFFAOYSA-N 376.445 4.206 0 1 GIAF CN(C)CCCSc1nc2c(Br)cc(Br)cc2[nH]1 136496832 BECDASDIEKOHCW-UHFFFAOYSA-N 393.148 4.132 0 1 GIAF CCOC(=O)c1cc(-c2nc(-c3ccnc(C)c3)n[nH]2)ccc1OCC(C)C 40391566 OJEOZWFDBFCDSG-UHFFFAOYSA-N 380.448 4.054 0 1 GIAF CCCCNC(=O)C1=C(C)Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 40413786 IAMJBNTYLSQYCP-QGZVFWFLSA-N 379.291 4.395 0 1 GIAF CC(C)CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2C[C@@H]1CCCO1 82177857 RWUKHIWUDMFCGM-INIZCTEOSA-N 385.899 4.394 0 1 GIAF c1cncc(-c2nc3c(NC4CCCCCC4)ncnc3n2C[C@H]2CCCO2)c1 82190233 UEKGIVLHMHVYKR-GOSISDBHSA-N 392.507 4.202 0 1 GIAF O=C1CCc2ccc(NC(=O)N[C@@H]3CC4(CCC4)Oc4ccc(F)cc43)cc2N1 144423782 UNTLHSLTNANOJC-GOSISDBHSA-N 395.434 4.278 0 1 GIAF Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Nc2c(F)cncc2F)s1 142668743 ULTJMTMGGUSBQD-UHFFFAOYSA-N 386.383 4.334 0 1 GIAF COC(=O)/C=C(\C)CC[C@@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@@]2(C)C(C)=C[C@@H](O)C[C@@H]21 95911944 JMMACFKOBKFRDJ-NQBARFFZSA-N 392.536 4.197 0 1 GIAF biogenic,in-vitro O=S(=O)(O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083251 KVSIXSSLBWVHLQ-UHFFFAOYSA-N 394.239 4.332 0 1 GIAF COc1cc(OC)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587527036 UKUQBJGQBXGBIK-HSZRJFAPSA-N 382.456 4.472 0 1 GIAF CC[C@@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587395168 KUGWBOPRZAHXEX-GCJKJVERSA-N 388.508 4.481 0 1 GIAF COC(=O)[C@H]1CC[C@H]([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587807010 KOLRXOCNWBQLKU-GUUCOKDPSA-N 384.289 4.143 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccccn1 587863849 BPDBDMSPPHKISL-UHFFFAOYSA-N 375.350 4.246 0 1 GIAF COc1cccc(OC)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587808510 QJUXHEILZKREFV-YPMLDQLKSA-N 380.257 4.229 0 1 GIAF COC(=O)c1sccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587846602 UYVLSLTXQQXFML-XLKFXECMSA-N 384.270 4.060 0 1 GIAF COc1cccc(OC)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587808901 REHVEVQVMGMIMS-YPMLDQLKSA-N 380.257 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C(F)(F)F)nc2)N1 587723035 UVCGZURXHVBLPQ-WPPNPWJKSA-N 390.178 4.021 0 1 GIAF N=c1nc(O)c2nc(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2[nH]1 587073952 REQAFNBMKVWMSB-NTCAYCPXSA-N 391.862 4.298 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@]1(C)CC[C@H]2C1(C)C 587826116 GMEIZAJQKRURFS-XENSBHABSA-N 380.301 4.343 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3CCCC3=O)c1)CC2=O 587473619 ADFIWIALFFTGGE-HSZRJFAPSA-N 379.456 4.352 0 1 GIAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccc4c(c3)OCCO4)[nH]c12 587638853 RMKLSFFQGDHMDE-UHFFFAOYSA-N 391.301 4.049 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc4c(cc3nc1O)OCO4)CC2=O 587488183 HTCPLMVFZBQONT-SFHVURJKSA-N 393.395 4.034 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc3c(s2)CCC3)N1 587857930 NMMNGJUTULQWBD-VVVCHXIZSA-N 381.314 4.331 0 1 GIAF CSc1nccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587379339 XYPHURPNLFGHAQ-RXVVDRJESA-N 396.443 4.318 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccc(Br)n1 587657741 ZBGIKMQZXLWNJE-UHFFFAOYSA-N 396.219 4.349 0 1 GIAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3ccccc3[nH]1)C(=O)OC2 586916357 XTMQGGXQWPZPBZ-MDWZMJQESA-N 392.455 4.378 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc4ccc(OC)cc4nc1Cl)[C@@H](C2)C3=O 587420331 JZMFAOVIEKQPOQ-VBKZILBWSA-N 381.815 4.394 0 1 GIAF COc1cccc(-c2ncc([C@@H]3c4c(F)cccc4C[C@H]4CCCN43)cn2)c1 963098071 FXAWTKDHZAWMNJ-XMSQKQJNSA-N 375.447 4.401 0 1 GIAF NC(=O)N1CCc2sccc2[C@H]1c1c(Cl)ccc(Br)c1F 962703409 CQAIHVVPNGPZPX-ZDUSSCGKSA-N 389.677 4.329 0 1 GIAF Nc1ncc(-c2cn(Cc3cccc(F)c3)c3c(F)cc(F)cc3c2=O)s1 1772653002 QAVZRPIMYKOUIF-UHFFFAOYSA-N 387.386 4.173 0 1 GIAF C[C@@H](c1nccc2ccccc12)N1CCC(C(=O)NCc2cccc(F)c2)CC1 169312129 NVGJOJDKMKUIJA-KRWDZBQOSA-N 391.490 4.463 0 1 GIAF O=C(c1cccc2ccccc12)N1CCN(Cc2c[nH]cn2)c2ccccc2C1 1487113 SDMFHWZUTGCUCX-UHFFFAOYSA-N 382.467 4.226 0 1 GIAF CC(C)Cn1ccc2c(OCC(=O)NC[C@@H]3CCCN4CCCC[C@@H]34)cccc21 2356426467 ADQYEARHKJBSSO-FPOVZHCZSA-N 397.563 4.057 0 1 GIAF CC(C)(C)OC(=O)N1CCC(n2ncc3c(Oc4ccccc4)ncnc32)CC1 103259068 LFIXINQTDGSXRT-UHFFFAOYSA-N 395.463 4.191 0 1 GIAF CC(C)CN1C[C@@H](CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc21 28571168 SBHYFFVEUPXWKL-LJQANCHMSA-N 381.495 4.363 0 1 GIAF CCCCC(=O)O[C@H]1Oc2c(O)cccc2-c2c1oc1cc(O)c(C)cc1c2=O 14814552 QGXIYXXRDGMFBG-QFIPXVFZSA-N 396.395 4.304 0 1 GIAF biogenic c1ccc(CCCNc2ncnc3c2nc(C2CC2)n3CCc2ccccn2)cc1 82221756 UPYHYZXKOWZMPQ-UHFFFAOYSA-N 398.514 4.386 0 1 GIAF Cc1cccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)Cc4ccccc4)cc23)c1 84655222 JTCGRDMMRLTULM-UHFFFAOYSA-N 385.467 4.440 0 1 GIAF in-vitro Cc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@@H](C)C(=O)Nc1ccccn1)C2 25206585 YWKWMCFVGQMSMA-IEBWSBKVSA-N 395.547 4.019 0 1 GIAF biogenic COc1ccc(N(C)c2cc(Br)cc(C(=O)NC3CC3)c2)cc1 96910985 HUZJMKBTGUFMFQ-UHFFFAOYSA-N 375.266 4.118 0 1 GIAF COc1ccc(CNC[C@@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)cc1 95554112 ZWILVXIZHVDAFA-QRFQSNJMSA-N 395.499 4.327 0 1 GIAF O=C(Nc1[nH]nc(-c2ccc(O)cc2)c1-c1ccc(O)cc1)c1ccc(O)cc1 653901687 BHAMVAHCQGEMLD-UHFFFAOYSA-N 387.395 4.113 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccncc3)CC2)N1 587765437 CEWKXBHCQCYONU-CYBMUJFWSA-N 390.300 4.013 0 1 GIAF Fc1cc(Br)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587042657 VIZSHOSOUCRUOG-GJZGRUSLSA-N 392.297 4.411 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(C[C@H](C)NC(=O)OC(C)(C)C)CC2=O 587471388 RPLVOLHSFVZLSZ-YEJXKQKISA-N 377.481 4.372 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CN(C)C)c2)N1 587741488 NMSBOEXNSXRSTN-CWTRNNRKSA-N 377.301 4.273 0 1 GIAF O=C(NCc1nc2cc(Cl)nc(Cl)c2[nH]1)c1cccc(C(F)(F)F)c1 587110966 HEUANGMRANPXJO-UHFFFAOYSA-N 389.164 4.214 0 1 GIAF O=C(O)CSc1ncccc1-c1nc2cc(SC(F)(F)F)ccc2[nH]1 586967467 YLSYUSVYYCGMQR-UHFFFAOYSA-N 385.392 4.414 0 1 GIAF Cn1nnc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1C(F)F 587127983 DJUKATVMSLMUHC-UHFFFAOYSA-N 396.117 4.077 0 1 GIAF C[C@@]1(c2cc(F)c(N)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558733 TWTIGYRRLVRASP-UTKZUKDTSA-N 383.350 4.130 0 1 GIAF CC[C@@]1(Cc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)CC(=O)c2ccccc2C1 587960681 NAXLHHGKQYLDRE-QHCPKHFHSA-N 392.455 4.126 0 1 GIAF Cc1cccc2c1OCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587831975 AQHFNEZXRRVVJE-BUXKBTBVSA-N 376.269 4.457 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)CNCC3)N1 587797410 SITIMBVRZYPNQW-ODXCJYRJSA-N 389.312 4.032 0 1 GIAF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccccc2F)c1O 587945721 PXOZNSVPRWYBND-MRXNPFEDSA-N 378.306 4.328 0 1 GIAF C[C@]1(CC(=O)C(F)(F)F)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962962218 WGUHMCNMSWWEOR-OAHLLOKOSA-N 395.343 4.094 0 1 GIAF Cc1cccc2c1[C@H](C1=COCCC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841188 JCBMXZHPHYCWKE-XLIONFOSSA-N 387.476 4.367 0 1 GIAF COC(=O)C(C)(C)[C@@H]1c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961782368 XYGYHQZYCFCCGK-SFHVURJKSA-N 388.508 4.078 0 1 GIAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)ncc12 1772617427 RVEHVJAEUCERKY-MRVPVSSYSA-N 380.235 4.156 0 1 GIAF C[C@@H]1CCCC[C@@H]1NC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1 5135459 PYTFYZUUDYGSOF-AEFFLSMTSA-N 399.560 4.086 0 3 GIAF Cc1ccc2c(c1)C(N1CCN(CCc3ccccc3)CC1)=Nc1cccnc1N2 13492081 OCMWTQCINJDJDB-UHFFFAOYSA-N 397.526 4.386 0 1 GIAF COc1ccc([C@@H]2C[C@](O)(c3ccccc3)Oc3cc(OC)cc(OC)c32)cc1 13661771 JBJMFUTWUSFFQF-GBXCKJPGSA-N 392.451 4.472 0 3 GIAF CN(Cc1ccccc1)C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 13682674 SUXAWRIGWWRSQD-UHFFFAOYSA-N 391.311 4.271 0 1 GIAF Cn1c(=O)ccc2c(NC(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)cccc21 169704940 FPFQYWQWBIOHBB-WBVHZDCISA-N 379.435 4.135 0 1 GIAF Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4ccccc4F)cc3)ccc12 1857538279 BBBDMVQFKWOHPN-UHFFFAOYSA-N 376.407 4.155 0 1 GIAF c1ccc(Sc2ccccc2-n2cc(Cn3ccc4cncnc43)nn2)cc1 1857541293 JVGNLOYELRJTPS-UHFFFAOYSA-N 384.468 4.212 0 1 GIAF CCOc1ccc2c(C)cc(=O)oc2c1COC(=O)/C=C/c1ccc(OC)cc1 1857609028 XSQFVLLIVRHOCF-KPKJPENVSA-N 394.423 4.265 0 1 GIAF CCCOC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 1857616293 POSLXRGJUCDABA-GOSISDBHSA-N 398.459 4.410 0 1 GIAF COc1cc2cc3c(c(O)c2c(O)c1/C=C/C(C)C)C(=O)C[C@@](C)(OC(C)=O)C3 1578517 KICSREDCVHEFSG-YQTDCCHMSA-N 398.455 4.380 0 1 GIAF CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@H]1OCc1ccccc1 5858325 BZRPIFDSLPXSTO-VXKWHMMOSA-N 394.423 4.154 0 1 GIAF Cc1cccc(CN(C[C@H]2CCCN2)C(=O)[C@@H](C)Oc2ccccc2Cl)c1 40412467 CTMCXHLPHYERMD-IEBWSBKVSA-N 386.923 4.197 0 1 GIAF COc1cc(OC)c2nnc3c(C)nc(-c4ccccc4C(F)(F)F)n3c2c1 84691023 ZYOUAODGFIHHBS-UHFFFAOYSA-N 388.349 4.289 0 1 GIAF O=C(OCCCO[N+](=O)[O-])c1onc(-c2ccc(Cl)o2)c1-c1ccccc1 96909037 FOOODYSAUYEUSU-UHFFFAOYSA-N 392.751 4.010 0 1 GIAF Cc1ccc(C)c(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)c1 100705170 ZFCBLPHTVKRCLW-UHFFFAOYSA-N 392.484 4.126 0 1 GIAF CCCCCCN1C[C@H]2[C@@H](C1)[C@]2(CCC)c1cccc(NS(C)(=O)=O)c1 102948639 JUCCUNKUZWGLKZ-AERCQKQUSA-N 378.582 4.238 0 1 GIAF O=S(=O)(N[C@@H]1[C@H]2CC[C@H]1Cc1c(F)cccc1C2)c1ccc(Cl)s1 195089165 YTBSSZLYKCFJCT-NVGCLXPQSA-N 385.913 4.013 0 1 GIAF O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@@H]1CCC[C@@H]2C=CC=C[C@H]21 253686953 HBNIAKXTMMHNGE-TUNNFDKTSA-N 390.527 4.315 0 1 GIAF Cc1ccc(F)c(-c2[nH]c(CNc3ccccc3)nc2-c2ccc3ncnn3c2)n1 473155327 RRDBKKJRGDARIV-UHFFFAOYSA-N 399.433 4.241 0 1 GIAF Cc1nc(COc2cccc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c2)cs1 587020002 BJGVRCPODSMUEJ-UHFFFAOYSA-N 383.404 4.411 0 1 GIAF Cc1onc(-c2nc3cc4c(cc3[nH]2)OCO4)c1COc1ccccc1Cl 587063611 QSFYTFOMQFDTBH-UHFFFAOYSA-N 383.791 4.487 0 1 GIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587067805 QAOQGZVLAZEJAL-OAHLLOKOSA-N 384.911 4.417 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cnc(Cl)[nH]c-4n3)cc2F)c1 587143306 ARRIOPULMNEELZ-UHFFFAOYSA-N 398.781 4.138 0 1 GIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cncc(C)c4[nH]3)cc2)cc1F 587147268 JMPWVOZVYNTMCR-UHFFFAOYSA-N 388.446 4.413 0 1 GIAF COC(=O)c1ccnc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 587148559 CHPARHUOJWEODQ-GOSISDBHSA-N 395.365 4.191 0 1 GIAF CC(=O)N[C@@H](Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)c1ccc(C)cc1 587217532 XAVBHVVLPJGKMM-QFIPXVFZSA-N 399.498 4.123 0 1 GIAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(OCc4ccccc4)cc3[nH]1)C2 587246158 DAPJEVDVOVRRCP-RUZDIDTESA-N 399.494 4.493 0 1 GIAF N=c1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2ccccc2[nH]1 587254684 WXDFKQHEKYHESO-UHFFFAOYSA-N 379.292 4.240 0 1 GIAF C[C@@]1(c2cc(O)cc(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356521 PXTHSXDEOJSKGQ-IRLDBZIGSA-N 380.371 4.217 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](NC(=O)OC(C)(C)C)c3ccccc31)O2 587392453 ZPRYEVDHLHKXJJ-WZONZLPQSA-N 394.471 4.407 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(F)cc(Br)cc1F)[C@@H](C2)C3=O 587422035 BVWJDVKKRWGESG-DYZYQPBXSA-N 381.172 4.225 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(OC)cc(OC)cc1OC)CC2=O 587479045 MBZLVADQKDIDNQ-JOCHJYFZSA-N 386.444 4.251 0 1 GIAF CCOC(=O)C[C@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587528072 ZBUPRLCHCZZCKT-DEOSSOPVSA-N 394.467 4.388 0 1 GIAF CSc1ccc(C(=O)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587613863 PMGWBAXTFWZSFA-PGRDOPGGSA-N 392.432 4.327 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2nsnc2c1 587620345 YHWSUBQNAQWANS-FXAWDEMLSA-N 376.393 4.100 0 1 GIAF O=C(COc1cccc(Cl)c1Cl)n1ncc2ccc(Cl)cc2c1=O 587651232 OYTDXGFPLKDKDI-UHFFFAOYSA-N 383.618 4.076 0 1 GIAF COc1c(F)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587721150 OYUHZCLEOZFDMR-BCTVWOGZSA-N 386.211 4.499 0 1 GIAF CC(=O)Nc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587744645 SDLUWVHIYDNIFY-MGNBDDOMSA-N 377.257 4.170 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2cccnc2)N1 587754768 MOHMWCKSARUZBW-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C=C1C=C(C)n2c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc2N1 587776404 XMKMOEJGQXULIU-BMLIUANNSA-N 389.272 4.208 0 1 GIAF CCOC(=O)C[C@]1([C@@H](C)CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587794813 GUKMYEUGISOGTD-VNBZBWLYSA-N 386.305 4.317 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)CNCC3)N1 587799494 XJWPYKUPUHPUKS-MPBGBICISA-N 389.312 4.032 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=Cc3cc(O)ccc3OC2)N1 587832319 BKCFJARCUFNWAM-APBUJDDRSA-N 390.252 4.345 0 1 GIAF O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccncc1 653751731 QWKYIMRQSGMPPV-UHFFFAOYSA-N 398.451 4.191 0 1 GIAF C=CN1CC[C@H]([C@]2(c3ccccc3)c3cc(OC)ccc3CCN2C(C)C)C1=O 962090475 LCRKRAZXPDDWSK-WIOPSUGQSA-N 390.527 4.197 0 1 GIAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@H]3c3c[nH]c4cccnc34)C2)cc1 962647737 WJAQADHHBVVMMZ-CJFMBICVSA-N 380.495 4.399 0 1 GIAF O=C(NCCc1nc(-c2cccc(F)c2)cs1)N1CCc2ccccc2C1 1772620853 HPEOCNQQGLTFFW-UHFFFAOYSA-N 381.476 4.260 0 1 GIAF COc1ccc(N2C(=O)CN(Cc3ccc(F)cc3Cl)C2=S)cc1Cl 1857641778 GOIRVQLSHZDUOM-UHFFFAOYSA-N 399.274 4.275 0 1 GIAF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=C2[C@@H](O)[C@](C)(O)CC1 1857770651 PAJAQJGAODSPPI-FYYLOGMGSA-N 388.504 4.175 0 1 GIAF C[C@H](N=c1cc(N[C@@H](C)C2CC2)[nH]c(-c2cccc(C(F)(F)F)n2)n1)C1CC1 1857774289 MEKMADZCSPFPMP-RYUDHWBXSA-N 391.441 4.400 0 1 GIAF CCc1ccc2nc(O)c(CN(CCN(C)C)C(=O)Nc3ccccc3)cc2c1 8582743 JBOMHIUVLRMMRT-UHFFFAOYSA-N 392.503 4.099 0 3 GIAF C[C@@]1(C(=O)Nc2cccc3cccnc23)CCN1Cc1ccccc1OC(F)F 61906514 GSVKXVKVXDFEBG-QFIPXVFZSA-N 397.425 4.439 0 3 GIAF COc1ccc(CN2C(=O)COc3ccccc3[C@@H]2c2nc3ccccc3[nH]2)cc1 95564587 LNHREUYMOPJAEJ-HSZRJFAPSA-N 399.450 4.082 0 3 GIAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](CO)[C@@H](C)CC)c1 775777 XWUVJRHCQIYQLS-YOEHRIQHSA-N 388.508 4.175 0 1 GIAF COc1cc(OC)cc(Oc2nc3cc(N)cc(N)c3nc2-c2ccccc2)c1 1866578 ZJAPPUPSNBIWFT-UHFFFAOYSA-N 388.427 4.271 0 1 GIAF O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1cccnc1 3825575 FEWIJNWBSWDYBM-UXBLZVDNSA-N 377.183 4.193 0 1 GIAF COc1cccc(CCN2CN=C(SCc3ccc(Cl)cc3)NC2)c1 58538220 MVPGBYYUZGYHKW-UHFFFAOYSA-N 375.925 4.001 0 1 GIAF CC(=O)Oc1ccc2c(C)cc(=O)oc2c1Cc1c(C)n(C)c2ccccc12 29061798 OCJPZLACMDZPNO-UHFFFAOYSA-N 375.424 4.418 0 1 GIAF Cc1cc(OC(F)(F)F)ccc1-n1sc(-c2c(F)cccc2F)nc1=O 103177788 CEKLGSHYXUXULS-UHFFFAOYSA-N 388.317 4.446 0 1 GIAF Cn1c(CC(=O)Nc2ccc(Cl)cc2)cs/c1=N\c1cccc(F)c1 29125233 DPPHVISOSHPGMG-PYCFMQQDSA-N 375.856 4.293 0 1 GIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)NC(C)(C)C)[C@H]3CC[C@H]12 26387574 NNVCQUGSNITOPM-ZJZKYWNMSA-N 388.596 4.381 0 1 GIAF O=C(O)CCC[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26735035 AMRRQZIEZDXBIE-XMMPIXPASA-N 386.451 4.495 0 1 GIAF O[C@@H](COc1ccc(OCc2ccccc2)cc1)CN1CCc2ccccc2C1 219732540 ZFHVQTAPWPBIPE-HSZRJFAPSA-N 389.495 4.064 0 1 GIAF CC[C@@H](C)NC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc(C)c1 82146072 RQJVAKKXEUZGIL-OAHLLOKOSA-N 378.476 4.494 0 1 GIAF COc1ccccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 225117822 YWWWSWNIXBDPCT-UHFFFAOYSA-N 397.481 4.168 0 1 GIAF Cc1cccc(-c2nc(N(C)CC(C)C)ncc2C(=O)N2CCC(C)CC2)c1 82160165 FMQOVQOFOBWTNB-UHFFFAOYSA-N 380.536 4.416 0 1 GIAF CN1Cc2ccc(NC(=O)N[C@H]3CC(C)(C)Oc4ccc(F)cc43)cc2NC1=O 143652804 VAVVIWKEPCJSPL-KRWDZBQOSA-N 398.438 4.227 0 1 GIAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NC[C@@H](O)c1ccccc1 299884692 UHNNDVPWVOQUTI-QHAWAJNXSA-N 384.476 4.143 0 1 GIAF COC(=O)C[C@@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 653827646 AEPANPSYHGALRL-QFIPXVFZSA-N 393.527 4.115 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2oc(=O)ccc2c1 587612506 VHYJGGFZQXPVJE-OFNKIYASSA-N 386.359 4.202 0 1 GIAF CCOC(=O)C[C@@]1(c2ccc(Cl)s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452200 MTYVXXBQYHFDLJ-CWTRNNRKSA-N 392.860 4.006 0 1 GIAF Cc1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(S)n1 587842868 GTSSERVQSXXDDD-RBHXEPJQSA-N 396.329 4.081 0 1 GIAF CCOC(=O)CCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349766 QNPKCPUVWBBWHG-UNMCSNQZSA-N 386.419 4.382 0 1 GIAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587810532 XUKVJTAEHFUZHA-YPMLDQLKSA-N 380.257 4.229 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(C)cc1Cl)[C@@H](C2)C3=O 587423214 UDKVEDJRRSLDIQ-LHSJRXKWSA-N 385.847 4.192 0 1 GIAF O=C1C[C@](CC2OCCO2)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587505909 QTPMQLMLHHSYHF-QHCPKHFHSA-N 382.431 4.328 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc(O)cc32)N1 587834684 STNFVHINPBWMKR-JEOXALJRSA-N 376.269 4.408 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1OC[C@@H]2C 587832740 CMHPNOURPYFLLT-CRTZDJKQSA-N 376.269 4.395 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc3ccc(F)cc3[nH]2)N1 587736395 VWOQTPJOBAXSLJ-DYBLOJMWSA-N 392.247 4.401 0 1 GIAF COc1cc2c3c(c1)OC1(CCC(O)(c4cccc(Cl)c4)CC1)[C@@H](C2)C3=O 587422244 XTADIXMKBVOMAK-YTXWROIDSA-N 384.859 4.297 0 1 GIAF CCCc1c(O)ccc2c1O[C@](Cn1ccnc1)(c1ccc(F)cc1)CC2=O 587466854 NKBJEKAOSKPZAM-JOCHJYFZSA-N 380.419 4.241 0 1 GIAF Cc1nc(Cl)c(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1C 587656412 ZPYXYUSNABIZMO-UHFFFAOYSA-N 398.800 4.391 0 1 GIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C(F)(F)F)ncc2[nH]1 587065685 XPCWBRUYORKBKC-UHFFFAOYSA-N 385.729 4.030 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@@]1(c1ccccc1)[C@@H]1CCCNC1 962401201 WFPDRCVDNFSWBQ-HYBUGGRVSA-N 391.584 4.388 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@@H](c2ccnc(Cl)c2Cl)N1)C(F)(F)F 962720187 ZDQRBODOEUWMOO-YPMHNXCESA-N 375.177 4.124 0 1 GIAF Fc1cccc2c1[C@@](CSc1nc[nH]n1)(c1ccccc1)N1CCC[C@@H]1C2 963119776 ZIUDYDPQROVUFA-DYESRHJHSA-N 380.492 4.000 0 1 GIAF C[C@@H](C1CCN(Cc2nc(Cc3ccccc3Cl)no2)CC1)N1CCCC1 12030075 FAMFPYTZTGPXAJ-INIZCTEOSA-N 388.943 4.010 0 1 GIAF CCCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358368 WVPDVLABXWPBJK-NRFANRHFSA-N 397.471 4.067 0 1 GIAF O=c1cc(N2CCOCC2)oc2cc(-c3cccc(OC(F)(F)F)c3)ccc12 13677159 ADRYKVQBRONROW-UHFFFAOYSA-N 391.345 4.195 0 1 GIAF CCO[C@@H](c1ccccc1)c1ccc2c(c1)CN(Cc1cn(C)nc1C)CCO2 14987012 TUYGZZWUCYOMDJ-DEOSSOPVSA-N 391.515 4.249 0 1 GIAF COc1ccc(-c2ccc(-c3cc(OC)c(OC)c(OC)c3)nc2)cc1OC 169312277 OWBDWVSTYOJTOV-UHFFFAOYSA-N 381.428 4.459 0 1 GIAF CCCn1c(-c2ccc(F)cc2)nc2c(NCCN3CCCCC3)nc(C)nc21 7991776 LHGCRJXNSUKLTR-UHFFFAOYSA-N 396.514 4.249 0 1 GIAF OC[C@@H]1O[C@H](c2ccc3c(c2)OCO3)C=C[C@H]1Oc1cc(Cl)cc(Cl)c1 7992646 JONOAXKZHQFNEU-WDYCEAGBSA-N 395.238 4.158 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4C=C(O)[C@H]5C[C@H]5[C@]4(C)[C@H]3CC[C@]12C 100738366 LNBRDPIYZGBLLR-FRUPJPKOSA-N 384.564 4.466 0 1 GIAF Cc1cc(NC(=O)c2c(NCc3ccncc3)ncn2C)ccc1C(F)(F)F 28889781 MZHJFERNDUVHJP-UHFFFAOYSA-N 389.381 4.007 0 1 GIAF COc1ccc(NC(=O)[C@@]2(C)CCN2Cc2ccc(OC(C)C)cc2)cc1OC 61904425 ZWZOUTLCBNZYFJ-HSZRJFAPSA-N 398.503 4.094 0 3 GIAF O=C(Nc1ccccc1)N1CCN(c2nc(-c3ccc(Cl)cc3)ns2)CC1 34836926 ARAUGGCZUKMXPG-UHFFFAOYSA-N 399.907 4.213 0 1 GIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1ccccc1 79091414 DQJSMPMSGCZRKT-PMACEKPBSA-N 391.467 4.398 0 1 GIAF O=S(=O)(c1ccc2c(c1)O[C@H]1CNCC[C@@H]21)c1ccccc1-c1ccccc1 73197838 INBPJOAKMDWORO-UNMCSNQZSA-N 391.492 4.024 0 1 GIAF CCCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(F)cc1 40424124 LUIGISMOFJJLFP-OAQYLSRUSA-N 386.467 4.300 0 1 GIAF O=C(Nc1ccc(F)cc1F)[C@H]1C(=O)N2c3ccccc3Oc3cccc1c32 84462507 VAYZAOXVEMTKCG-SFHVURJKSA-N 378.334 4.471 0 1 GIAF CCCC(=O)N(C)c1cccc(NC(=O)c2ccccc2Br)c1 84668753 SPDIVFLWCOQVLB-UHFFFAOYSA-N 375.266 4.464 0 1 GIAF CCN(C)c1ncc(C(=O)NCC2CC2)c(-c2ccc(-c3ccccc3)cc2)n1 82159291 PFELXLYIEGSUPU-UHFFFAOYSA-N 386.499 4.407 0 1 GIAF CCOc1cc(/C=C/c2cc(SC)nc(N)n2)ccc1O[C@@H]1CCCCO1 96914138 LIGSJVLTDHBDAA-QRBZPYHOSA-N 387.505 4.255 0 1 GIAF CCNC(=O)OCCN1C(=O)CCC12CCC(c1ccc(Cl)cc1)CC2 96019322 LARBIDGZDXHEED-UHFFFAOYSA-N 378.900 4.105 0 3 GIAF CC1=C2[C@H](OC(=O)/C=C/c3ccccc3)[C@H](C(C)C)CC[C@@]2(C)C(=O)C[C@@H]1O 238746219 UWFXUVFDMVGMOG-YIVCPDPRSA-N 382.500 4.334 0 1 GIAF COc1ccc2ccc(=O)oc2c1C1=NN[C@H](c2ccc(C(F)(F)F)cc2)C1 299862907 KHIHZYRYNORHMC-AWEZNQCLSA-N 388.345 4.259 0 1 GIAF COc1cccc([C@@]23CCC[C@@H](C2)N(C)C[C@H]3OC(=O)c2ccccc2)c1OC 299815109 BEGZOARTFIXUBE-SNYIIPAISA-N 395.499 4.055 0 1 GIAF COc1cc([C@@H]2COc3cc4c(c(OC)c3C2)C=CC(C)(C)O4)c(O)cc1O 653790521 XKABRFUGMYKKFY-LBPRGKRZSA-N 384.428 4.018 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccnc2N(C)C)N1 587692103 JSYSUJWVXRLELC-FVMDXXJSSA-N 398.707 4.326 0 1 GIAF COc1cc(F)c(F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587716053 ITIAWGJBIOVKDX-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1sc(-c4ccccn4)nc1C)[C@@H](C2)C3=O 587453682 YKWJTLZCOIAMQB-QKKBWIMNSA-N 378.453 4.185 0 1 GIAF COc1ccc(-c2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)s2)cc1 587653944 OPDGRFWDRXVGMN-UHFFFAOYSA-N 396.855 4.476 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Cl)ccc2OC(=O)[C@H]1C 587459481 DOUBDCBKLJJTQJ-WSVYEEACSA-N 386.831 4.414 0 1 GIAF Clc1ccc(-c2ccc(-c3nc4c(Br)cncc4[nH]3)cc2)nn1 587084551 BWDQOSVSQSYAMK-UHFFFAOYSA-N 386.640 4.498 0 1 GIAF Cn1ncc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c21 587578489 AHNXUOJLOOUYBH-AUSIDOKSSA-N 386.407 4.156 0 1 GIAF Cc1nn(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)c(C)c1Br 586979382 YHBIHKVSVDWCTH-UHFFFAOYSA-N 389.175 4.086 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc2cccnc12 587587969 QUGDUFKHNXQPDK-XXBNENTESA-N 385.375 4.349 0 1 GIAF CCn1ncc(Cl)c1C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587861163 LCRABYKYPBETNI-UHFFFAOYSA-N 398.772 4.136 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2nsnc12 587618659 PKKAMFBBOOJBNK-UZLBHIALSA-N 376.393 4.100 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCOc3ccc(O)cc32)[C@H]1c1ccc(F)cc1 587361432 YQHBQNKLXOFNAG-GMAHTHKFSA-N 392.382 4.274 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cn(C)nc1-c1ccccc1Cl)[C@@H](C2)C3=O 587417657 DUTSCWSJHIMWGF-QKKBWIMNSA-N 380.831 4.238 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)nc2sccn12 587619343 RZJNRBNMCYJHNI-CXAGYDPISA-N 398.827 4.458 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(COCc3ccccc32)[C@H]1c1ccc(F)cc1 587356604 KKCOAXLXZTZPBL-GMAHTHKFSA-N 376.383 4.316 0 1 GIAF Cc1cc(C(=O)O)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587826432 KVEBPLSMCCSSBS-BMLIUANNSA-N 378.241 4.218 0 1 GIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(Cl)ncc3[nH]2)cs1 587018900 CDBMCFBEVLWAPP-UHFFFAOYSA-N 384.852 4.303 0 1 GIAF CO[C@@H](C)COC1CCC(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CC1 587952603 UMFDHSPEPRTZQB-SYJJWHGVSA-N 394.519 4.472 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc(C)cn1)c1ccccc1F 963611879 QZUHMROUOPXQPA-UPCLLVRISA-N 392.474 4.372 0 1 GIAF C[C@]1(c2cccc(F)c2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172594 DEHRBALHEQEMIT-NVXWUHKLSA-N 387.760 4.360 0 1 GIAF O=C(O)CCCCC[C@@]1(c2ccc(F)c(F)c2)NCCc2nc3ccccn3c21 962985669 QPINHQYELLUMHE-QFIPXVFZSA-N 399.441 4.037 0 1 GIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2ccccc2)C(=O)OC)cc1 1772651583 UHIGBJXIBGOGHP-HTAPYJJXSA-N 383.488 4.075 0 1 GIAF CCC1=N[C@H](c2ccc(OCCN3CCCCC3)cc2)[C@H](c2ccc(O)cc2)N1 13607927 YSPZCXSHEWGXRL-BJKOFHAPSA-N 393.531 4.451 0 1 GIAF CN(c1ccc2ncsc2c1)c1nc(O)nc(NC(C)(C)c2ccccc2)n1 13611479 XYPPNIGENTYIOF-UHFFFAOYSA-N 392.488 4.302 0 1 GIAF Cc1ccccc1[C@H](CCOCCN1CCC[C@@H](C(=O)O)C1)c1ccccc1 13801390 BPRQUYYQWHMVSK-FYYLOGMGSA-N 381.516 4.330 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2cc(Br)cc3cccnc23)cc1 13815831 KVMDVIGVTUVGRS-UHFFFAOYSA-N 377.263 4.107 0 1 GIAF CCOc1cc(-c2ccccc2)cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953351 HCKRPPGEUVWKLE-NRFANRHFSA-N 389.455 4.274 0 1 GIAF CC(=O)Nc1cccc(-c2cccc([C@H](C)c3n[nH]c(=O)c4c3CCCC4)c2)c1 169207543 WFKMVGZQOHTJQX-HNNXBMFYSA-N 387.483 4.426 0 1 GIAF C[C@@H](c1cccc2cccnc12)N1CCC(C(=O)NCc2cccc(F)c2)CC1 169312123 QSTKNFZQDYFXGZ-KRWDZBQOSA-N 391.490 4.463 0 1 GIAF C[C@H](C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)cc1)c1ccccc1 1857749318 SCZTZKHHRWDIJY-AWEZNQCLSA-N 377.419 4.402 0 1 GIAF O=c1cc(Sc2ccc(-c3cccc(C(F)(F)F)c3)cc2)nc(O)n1O 1857774319 XCRSZKWDHUVLFK-UHFFFAOYSA-N 380.347 4.023 0 1 GIAF CN(Cc1nc2c(s1)CCCC2)C(=O)c1cc(CCc2ccccc2)no1 14988164 ODRIVTCIHYGTHF-UHFFFAOYSA-N 381.501 4.067 0 1 GIAF C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl 28820551 JKXQNLJIDQSBHK-LLVKDONJSA-N 383.300 4.384 0 1 GIAF Cc1c(C2CC2)nc2ccc(NC(=O)c3cnc(-c4ccc(F)cc4)cn3)cn12 43062655 WKZYDHCCCXGXRK-UHFFFAOYSA-N 387.418 4.369 0 1 GIAF Cc1ccccc1CNc1ncnc2c1nc(CC(C)C)n2C[C@H]1CCCO1 82180342 RURYBAJQZBGFTD-GOSISDBHSA-N 379.508 4.124 0 1 GIAF C[C@@H](C1CCCCC1)N1C(=O)CC(=O)N(CCc2ccc(Cl)cc2)C1=O 101678270 DUSDZHJBSIONSR-AWEZNQCLSA-N 376.884 4.032 0 1 GIAF CCc1cc(C(=O)N(Cc2ccc(Oc3ccc(F)cc3)cc2)C(C)=O)n(C)n1 103184177 AOVMDMBVXJYWET-UHFFFAOYSA-N 395.434 4.103 0 1 GIAF C[C@H](O)c1c(N(Cc2ccc(F)c(F)c2)S(C)(=O)=O)sc2ccccc12 115231899 XHVIXRFQHOBSEN-NSHDSACASA-N 397.468 4.199 0 1 GIAF COC[C@H](C)n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c-2c1=O 169730474 CPJKVFDTLGFAEC-JTQLQIEISA-N 394.302 4.230 0 1 GIAF CCc1ccc(-c2nc3ccc(C(=O)OC)c(OC)c3[nH]2)cc1Br 586976062 CAMFSVNTGADRIA-UHFFFAOYSA-N 389.249 4.350 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(Cc3sc(C)nc3C)nc2c1 587012745 UBRQSIGAZWMLEN-UHFFFAOYSA-N 394.294 4.166 0 1 GIAF CS(=O)(=O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587111306 DISMSENSUSAUOB-UHFFFAOYSA-N 391.374 4.200 0 1 GIAF Cn1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C(F)(F)F)c1 587113761 ZLSURLUBACJIHP-UHFFFAOYSA-N 388.143 4.048 0 1 GIAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(CO)cc4[nH]3)c(F)c2)c1 587138527 MCQIEDFJJCGCIV-UHFFFAOYSA-N 380.350 4.366 0 1 GIAF N[C@H](N=O)c1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587162141 DAMSEZRCIKFYKA-LJQANCHMSA-N 389.390 4.345 0 1 GIAF CC(C)(C)c1ccc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2n1 587162152 TXVJGSSWWANQDA-UHFFFAOYSA-N 384.846 4.355 0 1 GIAF COC(=O)c1cc2[nH]c(-c3cccc(NC(=O)CC(C)(C)C)c3)nc2cc1OC 587241814 IQNZJWZJROYBRX-UHFFFAOYSA-N 395.459 4.400 0 1 GIAF Nc1cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c2ccccc2c1 587252038 QSRAYPVBRHNIIA-UHFFFAOYSA-N 391.374 4.259 0 1 GIAF Cc1cc(Br)c2[nH]c(-c3cccc(-c4cnc(=N)[nH]c4)c3)nc2c1 587254861 RNSBXGQXUSTSGE-UHFFFAOYSA-N 380.249 4.170 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC1OCCO1)(c1cccc(F)c1)CC2=O 587468665 WJYUMOQALNMLRB-QFIPXVFZSA-N 386.419 4.108 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CC[C@]1(C)C(=O)OC 587477119 FCHGNFXEAQBYNV-DNQXCXABSA-N 394.467 4.331 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)c(OC)c(OC)c1)CC2=O 587477708 IJKSLCNLHYOJDS-JOCHJYFZSA-N 386.444 4.251 0 1 GIAF O=C1CC2(CC(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587522907 IZDMLILLEOSFMB-UHFFFAOYSA-N 376.452 4.423 0 1 GIAF CC(=O)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC(C)=O 587525233 RDHBDBYCQSEFNJ-NRFANRHFSA-N 394.423 4.123 0 1 GIAF COC(=O)[C@@H](C)[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587527132 VGADFPQMXKMRFA-OYLFLEFRSA-N 394.467 4.244 0 1 GIAF Cc1nc2ccccc2nc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588966 VXNVEBMVQGJLBG-XXBNENTESA-N 384.391 4.347 0 1 GIAF C[C@]1(c2ccc3[nH]c(O)cc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592519 YZQUBUDICZQINP-NFBKMPQASA-N 387.391 4.456 0 1 GIAF CCCCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2ccc(F)c(Cl)c12 587631865 XZCOIXRCYIDJGF-HNNXBMFYSA-N 394.874 4.057 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cncc(F)c2)(C2CC2)N1 587733087 NLCQWIHNEMKVSE-MLCYQJTMSA-N 379.248 4.310 0 1 GIAF CC(C)n1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587761633 BLUYIUCWCIFBFJ-SGTLLEGYSA-N 380.305 4.358 0 1 GIAF CCCn1ncc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587765835 UJMFMEBVPGDWLX-ZMZPIMSZSA-N 380.305 4.301 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(O)c3ccccc23)N1 587771042 BEPPRHKEIDLICQ-MGNBDDOMSA-N 387.252 4.466 0 1 GIAF CC(C)C[C@]1([C@H]2CCCNC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587791529 GDXBJTUTUCCFON-ZUEVXXBESA-N 383.349 4.363 0 1 GIAF CCOC(=O)C[C@]1(C2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793414 DYRYCFPIBKSJAE-HXPMCKFVSA-N 398.316 4.461 0 1 GIAF CC(=O)Oc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587808727 HIBJAUSDHWHBIX-XTZNXHDOSA-N 378.241 4.137 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc2ncccc2c1 587867546 IZDZCLSVFMPPJG-UHFFFAOYSA-N 398.344 4.209 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@](CC(=O)c3ccccc3)(c3ccccc3)c3cccc1c32 963022444 JELXPXTZJDRSLJ-NIYFSFCBSA-N 396.490 4.257 0 1 GIAF O=C(c1cccc2[nH]ccc12)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 2356645371 NMDPZSTUHAFXNS-PTRHGPIFSA-N 375.516 4.203 0 1 GIAF CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cccc(C(=O)O)c2)cs1 61926411 GAPRQIKDVHSYKU-KRWDZBQOSA-N 388.395 4.012 0 3 GIAF O=C(NC1CCCCC1)N1Cc2cc(-c3ccccc3)ccc2-n2nncc2C1 72139562 QUJZMKCEAXOFRS-UHFFFAOYSA-N 387.487 4.292 0 3 GIAF CCO[C@H]1OC(=O)c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c21)OCO4 1658033 JJXCEOLNFSCNNE-QFIPXVFZSA-N 392.363 4.170 0 1 GIAF biogenic Cc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@H](C)C(=O)Nc1ccccn1)C2 3841691 YWKWMCFVGQMSMA-PKOBYXMFSA-N 395.547 4.019 0 1 GIAF biogenic CC(=O)O[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]32)C1 3849739 CQNXXURIGGLIOE-LQHFQCQCSA-N 376.537 4.281 0 1 GIAF biogenic O=C1NC(=S)N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1 13652010 DUNNDSJABRRVJM-UHFFFAOYSA-N 394.327 4.306 0 1 GIAF O=C1NCN(c2ccccc2)C12CCN([C@H](c1ccccc1)C1CCCC1)CC2 28886092 KBBASJSNJUAETB-HSZRJFAPSA-N 389.543 4.346 0 1 GIAF O=C1NCN(c2ccccc2)C12CCN(C1c3ccccc3-c3ccccc31)CC2 28886109 QWPLZAGYDDIKMZ-UHFFFAOYSA-N 395.506 4.185 0 1 GIAF O[C@H]1COc2cccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 29127264 WBQUTHJYYXHACE-CQSZACIVSA-N 387.361 4.202 0 1 GIAF CS(=O)(=O)N(CCCCCCC(=O)O)Cc1ccc(-c2ccccc2)cc1 42921260 DBNKUVNDIMWAQJ-UHFFFAOYSA-N 389.517 4.150 0 1 GIAF O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCN3CCCCCC3)c12 45347803 MCPOSCCUUUPTRR-UHFFFAOYSA-N 382.529 4.419 0 1 GIAF in-vitro O[C@@H]1CN(CC2CCCCC2)[C@H](c2ccccc2)C[C@H]1n1cc(C2CC2)nn1 72105241 RPLSDUZTQXIMPH-YTFSRNRJSA-N 380.536 4.085 0 1 GIAF CO[C@H]1Cc2c(cnn2-c2ccccc2)C2(CCN(CC3CCCCC3)CC2)O1 72116462 VXFHKYALKRURJZ-HSZRJFAPSA-N 395.547 4.289 0 1 GIAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1F)c1cccs1 103190378 ANEIYFWLGDTPGG-OAHLLOKOSA-N 392.316 4.133 0 1 GIAF O=C(O)c1ccc(NC(=O)c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1 164779852 QVBYGTPDYVVXSB-UHFFFAOYSA-N 375.359 4.320 0 1 GIAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1(C)CCCCC1 222325857 VLOSGHYSCVRVJH-UHFFFAOYSA-N 389.503 4.354 0 1 GIAF COC(=O)[C@H]1C[C@]23CN(C)C[C@H](CCC4=C2[C@H]1CC4)[C@]31CC=C(C(C)C)OC1 238770036 UCEHABYXGSMTQX-JELMPRBYSA-N 385.548 4.174 0 1 GIAF CCC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC(=O)C(C)(C)C)cc1 299858851 UQPTUNNZRQYDPH-UHFFFAOYSA-N 389.473 4.032 0 1 GIAF CCCCOc1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1Br 586888166 BJDIDVWCHUZFCU-KRWDZBQOSA-N 391.265 4.292 0 1 GIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(Br)c2[nH]1 586962552 GBDQNXJVJJDYFR-LLVKDONJSA-N 379.283 4.373 0 1 GIAF COc1cccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 587001663 UWHOJSQCAABBEG-ZDUSSCGKSA-N 385.265 4.058 0 1 GIAF Clc1cccc(C2(c3nc4ccc(I)cc4[nH]3)CC2)n1 587083876 AJHDFQRVSNRWRP-UHFFFAOYSA-N 395.631 4.296 0 1 GIAF N[C@H](Cc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O)C(=O)O 587103893 KQDVKSWULUKPLO-LJQANCHMSA-N 394.430 4.068 0 1 GIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Br)ncc2[nH]1 587107528 BFZNFYPSBHCZIH-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF N[C@H](Cc1nc2cnc3ccccc3c2[nH]1)c1ccc(Br)cc1F 587143597 AJUMTVHJCSFYBP-CQSZACIVSA-N 385.240 4.255 0 1 GIAF N[C@@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@@H]1c1ccccc1F 587154373 DUWGFHPDGUILQH-BCTVWOGZSA-N 382.183 4.084 0 1 GIAF O=C(O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 587166129 NDDRCLKNLDOACI-UHFFFAOYSA-N 392.415 4.367 0 1 GIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 587168448 WOQQTWIVXXQLOS-AWEZNQCLSA-N 393.344 4.485 0 1 GIAF Cc1cc(Cl)ccc1C(=O)c1c(CO)oc2cc(Br)cnc12 587276610 OULSXKUOTLXOKU-UHFFFAOYSA-N 380.625 4.275 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(Br)c1OC)[C@@H](C2)C3=O 587413318 MSQMCWYLTPLWDA-DJJJIMSYSA-N 389.245 4.129 0 1 GIAF COc1cc2c3c(c1)O[C@](/C=C\N(C)C)(c1ccc(Cl)s1)[C@@H](C2)C3=O 587451527 PGFNGAFIWZVLLR-XBFOYSJQSA-N 375.877 4.128 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(OC)c1OC)CC2=O 587476866 GOUYSLZQQVOOKJ-JOCHJYFZSA-N 386.444 4.251 0 1 GIAF C[C@H]1CN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)C[C@@H](C)O1 587515132 QKMHXHGNEGCZFC-ZMPRRUGASA-N 392.499 4.281 0 1 GIAF COc1nccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548847 YEFFDRJROXWUBQ-LPHOPBHVSA-N 383.787 4.152 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(F)cc(F)cc12 587569419 KXLXYDUYPNIVKV-DENIHFKCSA-N 380.346 4.474 0 1 GIAF Cc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)O 587613365 ZEAVUNDEBUOVCV-SIKLNZKXSA-N 390.391 4.410 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccc(Cl)cc2)N1 587699588 LBTZVQASSYCLMI-QGHHPUGFSA-N 384.676 4.012 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(C(=O)O)c2)N1 587729431 GUCNTKJASKVDAC-VPTHRUTESA-N 382.204 4.049 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3nc2O)N1 587779789 WAGXZSTYFCJJCD-XTZNXHDOSA-N 387.252 4.466 0 1 GIAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C=O)c1O 587823847 WSRRIBFOBXRMAN-QGHHPUGFSA-N 378.241 4.038 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nsnc3c2)N1 587857650 MJPBKMHTGQPFAN-BCTVWOGZSA-N 378.270 4.217 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc3c(s2)CCC3)N1 587857970 NQMGIDREAJENCU-VVVCHXIZSA-N 381.314 4.331 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc(C[C@H]4CCC(=O)[C@H]4C)[nH]c3c2)cc1 587964023 YLKHAPHQBWDFKD-DZGCQCFKSA-N 378.428 4.300 0 1 GIAF CC(C)(CCc1ccncc1)[C@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962979306 SEHQYZNBYHSQGC-QAPCUYQASA-N 394.849 4.312 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccc(F)cc2)(C2CCC2)N1 963228819 JFTIZILGXTYZGQ-JTHBVZDNSA-N 376.431 4.017 0 1 GIAF CSc1ccc([C@]2(C(C)(C)C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963494206 YHXZPKSVARAIEM-JTSKRJEESA-N 385.529 4.311 0 1 GIAF FCCc1ccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)cc1 1857557122 CFUIJXFYQSPAMV-IBGZPJMESA-N 382.508 4.452 0 1 GIAF CSC1=NC=C2C(=Nc3n[nH]c(C)c3N=C2c2ccc(C(F)(F)F)cc2)N1 1857765367 XRDQQWGROHCCAE-UHFFFAOYSA-N 390.394 4.107 0 1 GIAF CC(C)C[C@H]1N[C@H](C(=O)NCc2ccc(F)cc2)Cc2c1[nH]c1ccccc21 1911582504 DEPULVQYXCJODH-RTWAWAEBSA-N 379.479 4.225 0 1 GIAF c1cnc2ccc([C@@H](c3nnnn3C3CCCCC3)N3CCCCC3)cc2c1 4230590 OLBARNXCIIDMBQ-NRFANRHFSA-N 376.508 4.302 0 3 GIAF Cc1cc(CCCCCOc2c(Cl)cc(-c3nnnn3C)cc2Cl)on1 3600031 NTMKCTAWDGSNJX-UHFFFAOYSA-N 396.278 4.272 0 1 GIAF CC(C)c1cccc(C(C)C)c1OS(=O)(=O)NC(=O)Oc1ccc(F)cc1 13747603 YJHGYHOHAKYKKR-UHFFFAOYSA-N 395.452 4.485 0 1 GIAF O=C(c1ccccc1O)N1CCc2c(n(Cc3ccc(O)cc3)c3ccccc23)C1 14946248 AKSNDKQKLRYZHT-UHFFFAOYSA-N 398.462 4.299 0 1 GIAF CCOc1ccc(-c2nn3c(=O)c4ccccc4nc3n2Cc2ccccc2)cc1 28713695 SQQAGDTUMHHFBW-UHFFFAOYSA-N 396.450 4.158 0 1 GIAF COC(=O)C[C@H](c1ccccc1)[C@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 34775684 KVSRYMGXCMOBPD-IFMALSPDSA-N 382.504 4.158 0 1 GIAF N=C(N)Nc1ccc(CCCCCCCCc2ccc(NC(=N)N)cc2)cc1 40566110 BYNSYPPIHKOREI-UHFFFAOYSA-N 380.540 4.423 0 1 GIAF CC(C)(C)[C@@H](CO)NCc1coc2cccc(OCC3CCCCC3)c2c1=O 53314088 OEQMESOVIVPDBC-HXUWFJFHSA-N 387.520 4.249 0 1 GIAF C[C@H]1C[C@H](Nc2cncc(Oc3ccc(-n4cncn4)cc3)n2)CC(C)(C)C1 82068725 YONPZQKEOPCATD-HOTGVXAUSA-N 378.480 4.476 0 1 GIAF 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GKJCZDPHVMVWMZ-UHFFFAOYSA-N 378.457 4.394 0 1 GIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@H]2CC[C@H](OC(C)=O)[C@@H](C)[C@]12C 2356471474 PZAGHSIXBWZOQH-BAXRHPEQSA-N 390.476 4.170 0 1 GIAF O=C1N=C(O)/C(=C(/C=C/c2c[nH]c3ccccc23)c2ccc(Cl)cc2)C(=O)N1 64504160 UKIAPODWYMYSQN-JXMROGBWSA-N 391.814 4.495 0 1 GIAF CCC[C@H](C)[C@H](OC(=O)C=Cc1ccccc1)[C@@H](C)[C@H](O)CC=CC=CC(N)=O 2356598387 OJAGQZQYWOJBHT-KLNOSBNDSA-N 399.531 4.033 0 1 GIAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)O2 26579189 IXQQMWIAXLMOHP-WCIQWLHISA-N 388.410 4.180 0 1 GIAF O[C@@H]1CCCC[C@@H]1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 216340428 MYPSDLYBBIYJDD-ZWKOTPCHSA-N 376.464 4.074 0 1 GIAF O=C1NC[C@H](c2ccc(F)cc2)C12CCN(C1(c3ccc(F)cc3)CCC1)CC2 40567873 ZCELQADAPOHGKO-OAQYLSRUSA-N 396.481 4.340 0 1 GIAF CC(C)CNc1ncnc2c1nc(-c1cccs1)n2CCN1CCCCC1 82178032 LZBZGIXJEUOXLX-UHFFFAOYSA-N 384.553 4.109 0 1 GIAF C#Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C(=O)O)c2)cc1 221234642 WFDJIIYWQKNANN-CCEZHUSRSA-N 392.414 4.236 0 1 GIAF c1ccc(-c2nc3c(NCc4cccs4)ncnc3n2C[C@@H]2CCCO2)cc1 82189987 PIMDJMICDOYAHJ-INIZCTEOSA-N 391.500 4.346 0 1 GIAF Cc1ccccc1CNc1ncnc2c1nc(C1CC1)n2CCc1ccccn1 82180526 JATLDISEWFFXMF-UHFFFAOYSA-N 384.487 4.262 0 1 GIAF c1cc2cc(-c3ccc4cc(C5=NCCCN5)[nH]c4c3)oc2cc1C1=NCCCN1 143832714 MUPDFXHZSQMPAU-UHFFFAOYSA-N 397.482 4.061 0 1 GIAF Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccc(Cl)cc2)s1 142675203 MFNDGADPFDDSRC-UHFFFAOYSA-N 386.786 4.468 0 1 GIAF O=C(O)C[C@@H](NC(=O)c1ccnc(Cl)c1)c1ccc(-c2ccccc2)cc1 261091022 DMKHHVTZDUXUQG-GOSISDBHSA-N 380.831 4.348 0 1 GIAF O=C1Nc2ccc(Cl)cc2[C@]12CCNc1c2cnn1Cc1ccc(Cl)cc1 299856372 BQRJJVQLEUNMNS-FQEVSTJZSA-N 399.281 4.292 0 1 GIAF COc1cc(CC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 587775051 YIMFTLQFCPTNSS-GTNSWQLSSA-N 379.273 4.200 0 1 GIAF Clc1cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c(Cl)n1 586966332 BMIYFQXXAZFKLN-UHFFFAOYSA-N 379.232 4.002 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cccc(N)c32)N1 587748180 VPOJENWOJOLTTF-JEOXALJRSA-N 375.285 4.285 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)c4ccccc4)cc1)[C@@H](C2)C3=O 587443484 QPPKPTZQIWSHHZ-CVDCTZTESA-N 386.403 4.403 0 1 GIAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(F)c(F)c2[nH]1 586936571 IVAMWVHQRPCAJL-HNNXBMFYSA-N 399.850 4.170 0 1 GIAF Cc1cnc2[nH]cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587592515 YZOAJLUGBQJJKJ-WMZHIEFXSA-N 386.407 4.454 0 1 GIAF Cc1nc2c(C)cccn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587772151 DRQWZFICOPFAIM-GTNSWQLSSA-N 388.284 4.476 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=Cc3cc(O)ccc3OC2)N1 587832323 BKCFJARCUFNWAM-GIGQVBGESA-N 390.252 4.345 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(C(=O)c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587422369 UCJBMAQZRMIJAG-LIRRHRJNSA-N 376.330 4.103 0 1 GIAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587338677 UPANHJJBSGEWSG-UGKGYDQZSA-N 396.345 4.009 0 1 GIAF Cc1nsc(N)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370323 AGUZHBQZBOSGBN-YLJYHZDGSA-N 384.432 4.153 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C(=O)OC)cn1 587865624 DSPZYGOAVZPWRN-UHFFFAOYSA-N 391.349 4.138 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(-c2ccccc2)c1 587583682 WOMMXTFRNJFZMZ-NFBKMPQASA-N 384.391 4.281 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OCC)[C@H]1Oc1ccccc1 587480044 MWRGEWBFWIEZSZ-YMPZKCBVSA-N 382.456 4.305 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Br)c1N)CC2=O 587456071 KDGHIRZDSKNSGL-MRXNPFEDSA-N 376.250 4.396 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccccc2Cl)N1 587696106 KXEVMGAKFUGKHW-BMLIUANNSA-N 384.676 4.012 0 1 GIAF CN(CCC[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3)N=O 587513608 SNFJUXATKODQAL-QFIPXVFZSA-N 379.460 4.215 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3ncon3)cc1)CC2=O 587487884 YIRPFMBVZDRTKM-IBGZPJMESA-N 380.400 4.013 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3c2cnn3C)N1 587755878 BDMGHZYZAOVAIB-NSPYISDASA-N 388.284 4.273 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cnc3[nH]2)C[C@H]2CCCC[C@@H]21 587026893 MZIQXJHQWYSSBQ-COXVUDFISA-N 384.480 4.233 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(O)cc1 587864292 JEGXEKRGURQKSD-UHFFFAOYSA-N 376.334 4.362 0 1 GIAF CCOC(=O)CC1CCC2(CC1)c1ccsc1CCN2Cc1cccn1C 962402082 ZEFIVYZLMHGADZ-UHFFFAOYSA-N 386.561 4.484 0 1 GIAF CCC[C@@]1(c2ccc3c(c2)OCO3)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962573075 MPLXVLGIRCCCMJ-NPMXOYFQSA-N 383.488 4.353 0 1 GIAF CCOC(=O)Nc1snc(C)c1[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963115357 VYUSHHJNLBEEHJ-YWZLYKJASA-N 389.496 4.443 0 1 GIAF O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1cn2ccccc2n1 1772589518 ULDMDFPXNRGXSE-UHFFFAOYSA-N 386.480 4.334 0 1 GIAF COc1cc(C(=O)NCCc2ccc(C(F)(F)F)cc2)ccc1-c1cn[nH]c1 1772649939 GYZHOJQCWGSTEZ-UHFFFAOYSA-N 389.377 4.077 0 1 GIAF Cc1cc(OC(=O)C(C)(C)C)cc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12 1772629893 XPTUUYCAUYXORX-UHFFFAOYSA-N 398.503 4.071 0 1 GIAF COc1cccc(-c2nc(Nc3cccc(NC(C)=O)c3)c3cccnc3n2)c1 1772597542 RHZGASIIAZAERO-UHFFFAOYSA-N 385.427 4.402 0 1 GIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCN(CCCc2ccccc2)CC1 13782165 KEELOVYNJHXCBL-UHFFFAOYSA-N 391.342 4.313 0 1 GIAF CCN(CC)c1nc(C)nc(N(CC)c2ccc(N(C)C)cc2C(F)(F)F)n1 13794520 PENCSZGSOKLHBQ-UHFFFAOYSA-N 396.461 4.269 0 1 GIAF CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2c(NC(C)=O)cccn12 13801062 KMCQTEGMZVXDCF-UHFFFAOYSA-N 392.503 4.151 0 1 GIAF Clc1ccc(N2CCN(Cc3cnn4c3ccc3ccccc34)CC2)cc1 13862506 LADZDZFEEAEQNW-UHFFFAOYSA-N 376.891 4.463 0 1 GIAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CC[C@@H](c4ccccc4F)C3)cccc21 169704942 NGJOCHXSRSVEDI-HUUCEWRRSA-N 379.435 4.135 0 1 GIAF CCN(C)CCOc1ccc2c(c1)C(C)(C)[C@H]1Oc3cc(F)ccc3[C@@H]1C2=O 205094270 ZUSHXHDVTSGFEB-IRLDBZIGSA-N 383.463 4.175 0 1 GIAF FC(F)(F)c1ccc(-n2cc(CN3CCc4c([nH]c5ccccc45)C3)nn2)cc1 1857536233 JOQWBCAZSPUNQK-UHFFFAOYSA-N 397.404 4.326 0 1 GIAF O=C(Nc1ccc(F)cc1F)[C@@H]1C(=O)N2c3ccccc3Cc3cccc1c32 26162980 GJLDPGXQDWKZDK-LJQANCHMSA-N 376.362 4.270 0 1 GIAF COC(=O)C[C@H](C)CC[C@@H]1C(COC(C)=O)=CC[C@@H]2[C@@](C)(CO)CCC[C@]12C 2356433818 VWSFDOGERZAPRR-NPNODJHLSA-N 394.552 4.280 0 1 GIAF COC(=O)C[C@H]1[C@@H](Cc2ccccc2)C[C@H]2[C@@H](Cc3ccccc3)C[C@@H]1N2C 27421120 XXQUTIIQIQULCG-LSBAASHUSA-N 377.528 4.360 0 1 GIAF O=c1ccccn1-c1ccc2c(c1)CN1CCC2(c2ccc(Cl)cc2)CC1 114348492 FMMKJZJKDJFMKF-UHFFFAOYSA-N 376.887 4.386 0 1 GIAF CC[C@H](C)C[C@H](C)[C@H](O)[C@H](C)C=C(C)[C@H](O)[C@@H](C)c1cc(O)c(C)c(=O)o1 2356521030 HKDIFJFYZMZJPA-TXMSUMALSA-N 380.525 4.134 0 1 GIAF S=C(Nc1ccnc2cc(Cl)ccc12)N1CCN(Cc2ccccc2)CC1 28950269 FUGKRXVLAOCXRO-UHFFFAOYSA-N 396.947 4.403 0 1 GIAF CN[C@H](Cc1ccccc1)[C@@H]1c2[nH]c3ccc(Br)cc3c2CCN1C 2356797903 OPHNYAFRPVFBDE-TZIWHRDSSA-N 398.348 4.290 0 1 GIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(C5CCCCC5)CC4)[C@H]3C=C12 504278131 DUGACSPHBUDFSB-YQHSJXJLSA-N 398.591 4.171 0 1 GIAF biogenic CN1[C@H]2CC[C@@H]1[C@@H]1COC(=O)CCCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 36093192 QLPRIWAESOJKJS-UWHLTILDSA-N 384.520 4.089 0 1 GIAF CC(C)NC(=N)c1ccc(O)c(-c2cc3ccc(C(=N)NC(C)C)cc3o2)c1 40860360 VRUCRQBQPHHKPI-UHFFFAOYSA-N 378.476 4.452 0 1 GIAF O=C(NC(=S)Nc1nc2cc(Br)ccc2s1)c1ccccc1 49783874 YRLAXTONUAHXJM-UHFFFAOYSA-N 392.303 4.186 0 1 GIAF O=C(Nc1cccc(Oc2ncnc3[nH]ncc23)c1)c1ccc(C(F)(F)F)cc1 95588378 RIGIEHDTVCPMDK-UHFFFAOYSA-N 399.332 4.416 0 1 GIAF C[C@H]([C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12CO)N(C)C 255271115 UCNIUVSOJLHWRM-DCTLDXQPSA-N 388.640 4.418 0 1 GIAF CN1[C@H]2CC[C@H]1[C@H]1COC(=O)CCCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 253677960 QLPRIWAESOJKJS-TUFLPTIASA-N 384.520 4.089 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1cccc(Cl)c1)(c1ccccn1)[C@@H](C2)C3=O 587417336 CBSZQTMIFFEJOY-HTAPYJJXSA-N 377.827 4.435 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc3c(c1)OCO3)CC2=O 587484981 PCGKNNMIADZEEM-LJQANCHMSA-N 392.411 4.170 0 1 GIAF O=C(O)c1cc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543974 CVTNCVZNTYGZFI-FXAWDEMLSA-N 396.782 4.447 0 1 GIAF COc1ccc(-c2nc3c(C)cnc(Cl)c3[nH]2)c(I)c1 587179874 HZEMUTSCTKNZCM-UHFFFAOYSA-N 399.619 4.200 0 1 GIAF CC(C)CCOc1ccc(Br)cc1-c1nc2cc(=N)[nH]cc2[nH]1 586981762 OAMQRNOYTCNOND-UHFFFAOYSA-N 375.270 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1ccccc1Cl)[C@@H](C2)C3=O 587420748 RHEHRFQRSCNLKH-JTSKRJEESA-N 377.827 4.435 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(cnn3C)c2)N1 587755511 AKHOWHHAHUIPEE-NSPYISDASA-N 388.284 4.273 0 1 GIAF Cn1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587580400 HXKHUHIJRPMWAJ-ZJSXRUAMSA-N 398.418 4.031 0 1 GIAF CN1[C@H]2CCC[C@@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332481 AKTCPWCQYHHEAG-FOHILQBSSA-N 381.447 4.276 0 1 GIAF CCCn1ncc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587764814 RHXNZZIXCAIXLK-ZMZPIMSZSA-N 380.305 4.301 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@H]1CC[C@@]2(C)C1(C)C 587818347 QVMJKZYGOKAJNN-NLWJUZDLSA-N 380.301 4.343 0 1 GIAF Fc1cnc(Br)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc12 587951517 WZMOKBYWFDQYSY-UHFFFAOYSA-N 380.261 4.345 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)cn2)N1 587753002 GUTOIPQSDLXQDY-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF N[C@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@H]1c1ccccc1F 587154376 DUWGFHPDGUILQH-ZKANADHPSA-N 382.183 4.084 0 1 GIAF CCCCc1ccc([C@@]2(C(=O)OCC)CC(=O)c3cc(C)cc(N)c3O2)cc1 587400529 QPCHGGMKRNJTPQ-HSZRJFAPSA-N 381.472 4.344 0 1 GIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 587785081 LDLVRFZMNMPLQL-KBPBESRZSA-N 376.334 4.405 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(C(=O)O)cccc32)N1 587824939 DQDZTAHIKBPSIW-GIGQVBGESA-N 390.252 4.010 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccccc2)N1 587826755 IYDXNVZVEKGXRK-HXPMCKFVSA-N 392.268 4.231 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc[nH]2)(C(F)(F)F)N1 587711655 XQTYTZPLSCRPRT-RMLUDKJBSA-N 377.179 4.256 0 1 GIAF Nc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333791 IDTCUOSETIPIOL-JTHBVZDNSA-N 391.398 4.150 0 1 GIAF CCn1cc(Cl)c(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)n1 587861097 MXZKBHISZJQBDL-UHFFFAOYSA-N 398.772 4.136 0 1 GIAF CN1CCN(c2ccc3nc(-c4cccc(-c5ccccc5)c4O)[nH]c3c2)CC1 586896382 CWGLIZRHTMNIGP-UHFFFAOYSA-N 384.483 4.354 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(N)cccc1Br)CC2=O 587456027 ITRLTHDJTJETLK-MRXNPFEDSA-N 376.250 4.396 0 1 GIAF Cc1cccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 586938643 QIUXEUHITVXNAG-MRXNPFEDSA-N 377.897 4.200 0 1 GIAF COc1cc([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c(Br)cc1O 963103788 LOSRIQUKUNZUOP-BFUOFWGJSA-N 392.268 4.412 0 1 GIAF COc1cc2c(cc1OC)[C@H]([C@@H]1CCN(Cc3ccccc3)C1)N(C)[C@H](C)C2 962645327 ZJSHLLZRKLETPL-YJLYGGOZSA-N 380.532 4.143 0 1 GIAF CCCCN(C)c1ncc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962731276 RFBZWMUEKLJQGQ-GOEBONIOSA-N 397.466 4.115 0 1 GIAF CCN(CC)CCOc1ccc2c(=O)c3ccc(Br)cc3[nH]c2c1 145340333 OBXQFDQOHSRWIA-UHFFFAOYSA-N 389.293 4.164 0 1 GIAF COc1ccc(-c2nc3ccc(-c4nc5ccc(C(=N)N)cc5[nH]4)cc3[nH]2)cc1 5889286 ZUMPAEXRWOLVKS-UHFFFAOYSA-N 382.427 4.066 0 1 GIAF CC(C)C(C/C=C1\C(=O)O[C@](CO)(COC(=O)C(C)(C)C)C1(C)C)C(C)C 13583248 KJZLQHREPYKCJR-JRVGGCGHSA-N 382.541 4.135 0 1 GIAF CC(=O)OCC(COC(C)=O)OC(=O)/C=C(\C)CCC1=C(C)CCCC1(C)C 14609773 WWSSOPUZTZPYPP-NTCAYCPXSA-N 394.508 4.278 0 1 GIAF CCOC(=O)[C@@H]1C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccccc2)[C@@H]1C 169715024 QENKGEVIUOCSBV-UZLBHIALSA-N 391.467 4.431 0 1 GIAF CCOC(=O)c1c(-c2ccccc2)nc(C)c([C@@H](O)OCC)c1-c1ccccn1 169715348 GNYJSBFZJBOYEN-QFIPXVFZSA-N 392.455 4.323 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cc2cc(F)ccc2n1C 167063211 DYSDXWPNOMDVOS-IFXJQAMLSA-N 396.462 4.444 0 1 GIAF COc1cc(-c2[nH]nc3ncc(-c4ccc(F)cc4)cc23)cc(OC)c1OC 1857606906 NHDZXYBERIJNQK-UHFFFAOYSA-N 379.391 4.457 0 1 GIAF CC(C)c1cc(C(=O)NC2C3CC4CC(C3)CC2C4)nnc1N1CCCCC1 1857752185 SQQAWKSSMIFCLC-UHFFFAOYSA-N 382.552 4.145 0 1 GIAF O=C(NCC[C@@H]1CN=C(c2ccccc2)c2ccccc2N1)c1ccc(F)cc1 13525947 NYFFROCIRWCNSC-HXUWFJFHSA-N 387.458 4.277 0 1 GIAF CN(C(=O)COc1c(Cl)cccc1Cl)[C@@H]1CCCC[C@H]1N1CCCC1 27887835 QXOXWUJXNQZXSV-IAGOWNOFSA-N 385.335 4.238 0 1 GIAF Cc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCN(C)CC3)n2)cc1 28474990 RCMIEROKIIDBNK-UHFFFAOYSA-N 383.499 4.352 0 1 GIAF CCCCOC(=O)Nc1ccc2cnn(Cc3ccc(C(=O)O)cc3OC)c2c1 29469306 NWXMDIYMLTXGPI-UHFFFAOYSA-N 397.431 4.140 0 1 GIAF O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(Cl)c1 43123160 KAEBDVFJWYJWBA-UHFFFAOYSA-N 375.925 4.092 0 1 GIAF CC(C)Cc1nc2c(NCc3cccc(Cl)c3)ncnc2n1C[C@H]1CCCO1 82221807 OCMAGKQUYPWVEE-QGZVFWFLSA-N 399.926 4.469 0 1 GIAF CC(=O)c1cccc(-c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)c1 96168805 DVDRDHOYLRCPIQ-UHFFFAOYSA-N 396.450 4.162 0 1 GIAF Cc1ccc(O/C=C2/Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)S2)cc1 103117369 HSSMKRPDFMHCBB-PDGQHHTCSA-N 388.456 4.171 0 1 GIAF Cc1cc(C)nc(NC(=S)N2CCN(c3cccc4ccccc34)CC2)c1 103254384 FUNLGWOKWODFMU-UHFFFAOYSA-N 376.529 4.371 0 1 GIAF COC(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CC(=O)O[C@H]1c1ccccc1 142735971 NWKBBOALVUSAHW-PKOBYXMFSA-N 378.346 4.096 0 1 GIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc(-n2cccn2)cc1 167084977 YLPBLVFJKJTIJN-IBGZPJMESA-N 391.471 4.143 0 1 GIAF O=Nc1c([C@H]2C(=O)Nc3ccc(OC(F)(F)F)cc32)[nH]c2ccc(O)cc12 169723360 IPSXIRLKTRBYCM-ZDUSSCGKSA-N 377.278 4.254 0 1 GIAF C[C@H]1c2ccc(CN(C)C)cc2CCN1C(=O)c1cc2cc(Cl)ncc2n1C 299835329 YNEAIUBIXURTMM-AWEZNQCLSA-N 396.922 4.048 0 1 GIAF COC(=O)c1cc2[nH]c([C@H](C)CC(=O)c3ccc(Cl)cc3)nc2cc1OC 587070705 VAQOJRSPBMXOGV-LLVKDONJSA-N 386.835 4.388 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587161746 BXHWLNXEEMBRJT-IRXDYDNUSA-N 387.480 4.052 0 1 GIAF CC(=O)OC[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346206 HYCXTDSYUSDOJS-KNQAVFIVSA-N 386.419 4.238 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)(c1c(N)sc3c1CCC3)O2 587415576 UWOUNZMORGGBHY-JOCHJYFZSA-N 391.496 4.014 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)ncc1F)CC2=O 587471646 LTIOOOPIRNHMNN-HNNXBMFYSA-N 380.213 4.348 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc3c4c(c1O)CCCN4CCC3)CC2=O 587483263 LOSPHLWUXKGMGC-NRFANRHFSA-N 393.483 4.456 0 1 GIAF CCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C2CC2)n1 587583669 WKTSRNLRKYVFQK-XMSQKQJNSA-N 376.412 4.189 0 1 GIAF CCCCOC(=O)CC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594795 JEBBVBJWMCDKMI-SIKLNZKXSA-N 384.428 4.236 0 1 GIAF CCOC(=O)C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595202 JWUDWDSNGWCVEK-AVRDEDQJSA-N 384.428 4.092 0 1 GIAF CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2c(C(=O)O)cccc12 587636797 JDKVQPFDBBZWMV-UHFFFAOYSA-N 388.217 4.472 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(F)c(O)cc32)N1 587731896 LZCLWHBAZVAJMC-LZVRBXCZSA-N 380.232 4.157 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C)NC(=O)OC(C)(C)C)N1 587750671 UVNYKHCAPJXYCN-YHAQOWFVSA-N 387.293 4.077 0 1 GIAF Cc1nc2ccccn2c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774127 LQIBZOOANZYDQY-JEOXALJRSA-N 388.284 4.342 0 1 GIAF COc1ccc2c(c1)CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587808960 OYTPPIOWWXZPPV-WLRWDXFRSA-N 376.269 4.321 0 1 GIAF CC(C)C1=CC=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)C(=O)C1 587822980 NVHQUWUCLOVVEJ-HXPMCKFVSA-N 378.285 4.429 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CCO[C@H]1C21CCCC1 587839295 QZOYUKMVVAWHMC-ZXCFCYKVSA-N 380.301 4.297 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2scc3c2OCCO3)N1 587851269 IEYAAPFTIAJDIW-RMLUDKJBSA-N 384.270 4.045 0 1 GIAF CCOC(=O)[C@H](CC)[C@@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644319 QLLAONCARJSRGY-SLSDLSHTSA-N 392.543 4.238 0 1 GIAF CCc1cc(OC)ccc1[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962691243 BTFROWWXZRXADL-ZWKOTPCHSA-N 397.368 4.104 0 1 GIAF O=C(c1cccc(F)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 1772589772 RVICREDFQQJBFY-SFHVURJKSA-N 386.373 4.303 0 1 GIAF CC(C)[C@@H]1N=C(c2ccccc2)c2ccccc2N(CCCCC(=O)O)C1=O 1772592642 QANQJKCDHBTYRV-NRFANRHFSA-N 378.472 4.150 0 1 GIAF Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cc(N)cc(C(=O)O)c2)c1 1772645845 QTGJBGPHXCYGOR-UHFFFAOYSA-N 388.349 4.495 0 1 GIAF CC1=C2[C@H](OC(=O)C=Cc3ccccc3)[C@H](C(C)C)CC[C@]2(C)C(=O)C[C@H]1O 2356494846 UWFXUVFDMVGMOG-PLXZFBFJSA-N 382.500 4.334 0 1 GIAF CC[C@@H](NC(=O)c1cccc2c1C(=O)N(Cc1cccnc1)C2)c1ccccc1 203474618 SQTHQWZKHCQCIS-OAQYLSRUSA-N 385.467 4.119 0 3 GIAF COCC(=O)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1 4237987 LMHDBFQNVSLDMN-UHFFFAOYSA-N 392.543 4.127 0 1 GIAF CN(CCOc1ccccc1)C[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 13517523 MYMXZYVALFYXSE-XMMPIXPASA-N 389.495 4.314 0 1 GIAF O=c1cc(N2CCOCC2)oc2c(-c3ccccc3C(F)(F)F)cccc12 13677251 BXFXAYNSKNYURB-UHFFFAOYSA-N 375.346 4.315 0 1 GIAF COc1cc2c(cc1OCc1ccccc1)CCN=C2C(=O)c1cccc(O)c1 27556441 AWYIUDPXJOUHAR-UHFFFAOYSA-N 387.435 4.208 0 1 GIAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN(C)C 29560576 CBVZLUIKUXDQLU-UHFFFAOYSA-N 390.846 4.115 0 1 GIAF CC(C)NS(=O)(=O)c1cccc(-c2ccc(CCN3CCC[C@@H]3C)cc2)c1 43018706 AJSKKEBQWSIBTH-SFHVURJKSA-N 386.561 4.067 0 1 GIAF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)cc3)c2)cc1 72315811 XOWVXIRCAYYBIV-UHFFFAOYSA-N 392.402 4.420 0 1 GIAF COc1ccc2oc(O)c/c(=N\C3CCN(C/C=C/c4ccccc4)CC3)c2c1 101028333 VZFMYWBHEYLPMY-ZYDZLLHBSA-N 390.483 4.226 0 1 GIAF CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2cccc(F)c2O1 143654635 JLWJQMMAHWBRAE-QGZVFWFLSA-N 383.423 4.134 0 1 GIAF Cc1ccncc1N1C[C@@H](C(F)(F)F)N(c2ccc3ncsc3c2)C1=O 169706608 DGYDDXHGXNDZMD-HNNXBMFYSA-N 378.379 4.377 0 1 GIAF CC(C)Oc1ccc(-c2nc(-c3ccc(C(=O)O)cc3)cc3[nH]nc(N)c23)cc1 204818120 ZIUVIQIQMRGTKY-UHFFFAOYSA-N 388.427 4.360 0 1 GIAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(F)c3C2=O)c(Cl)c1 473154424 HHRZBUWNLICHOO-UHFFFAOYSA-N 398.777 4.433 0 1 GIAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 586941362 SJSQGWIFRAXNFU-VAWYXSNFSA-N 383.517 4.259 0 1 GIAF Cc1c(Br)cnc2[nH]c(-c3cc(Br)cc(C=O)c3)nc12 586982904 RRYILXKHNQBEHD-UHFFFAOYSA-N 395.054 4.271 0 1 GIAF COC(=O)[C@@H](c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O)C(C)C 586990269 BTMDSUJHDDRAAA-QGZVFWFLSA-N 375.424 4.373 0 1 GIAF CCc1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 586999479 CEVVUMIKYTZRCZ-UHFFFAOYSA-N 385.217 4.367 0 1 GIAF CCS(=O)(=O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587067891 AXKCBFSSJZCESZ-UHFFFAOYSA-N 386.864 4.067 0 1 GIAF Cc1ccc2c3c(c4c(nc13)[C@H](Cn1cncn1)CCC4)-c1ccccc1C2=O 587096190 FJTKNFISFYZZBA-HNNXBMFYSA-N 380.451 4.466 0 1 GIAF CN1CCN(c2ccc3nc(-c4ccc(C(F)(F)F)cc4F)[nH]c3c2)CC1 587110135 SWFBLVRIQNRIJI-UHFFFAOYSA-N 378.373 4.140 0 1 GIAF COC(=O)c1cc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2cn1 587149872 NURUBOHNVIRSBZ-LJQANCHMSA-N 376.391 4.085 0 1 GIAF CCCC(=O)O[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348154 MTLHQOOMGOARCH-ZTHZXAOBSA-N 386.419 4.381 0 1 GIAF O=C1C2CC3CC1CC(C2)C31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354311 QHVBYQFFXLRICX-PHFIOPHOSA-N 392.426 4.264 0 1 GIAF CCOc1ccc([C@]2(CCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399843 MMYLOXQGFNYQRK-QFIPXVFZSA-N 383.444 4.092 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4ccc(Br)cc14)[C@@H](C2)C3=O 587418252 OCPXVONNIOICAO-ORAYPTAESA-N 384.229 4.428 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(F)cc(C)cc1Br)[C@@H](C2)C3=O 587424762 ULBREEPHNNGRCV-VOJFVSQTSA-N 377.209 4.394 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cc(C)cc(C)c1)CC2=O 587480517 KVEGDDLFZNBGGP-HSZRJFAPSA-N 382.456 4.385 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(S(=O)(=O)CCC)c1)CC2=O 587487970 OTMPLBOXFMHFGM-HXUWFJFHSA-N 388.485 4.235 0 1 GIAF C[C@@]1(c2c(F)c[nH]c3nccc2-3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567765 FGVLHDJZHRLTGB-AVRDEDQJSA-N 390.370 4.236 0 1 GIAF CCOC(=O)C1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587792286 BIDNCMYLFLQXAN-OMTHAAKESA-N 384.289 4.071 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3oc(CO)cc3c2)N1 587832812 LBNPWWCPXCPLQD-DGIBIBHMSA-N 390.252 4.450 0 1 GIAF COC(=O)CC[C@]1(c2ccccc2)c2cccc(Br)c2CCN1C 963279665 IKVQLLIHCILNNL-FQEVSTJZSA-N 388.305 4.134 0 1 GIAF C[C@@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2 1911586071 ORFXTXYARYWSKK-GQKRIFGNSA-N 386.854 4.406 0 1 GIAF COc1ccc([C@H]2CC(=O)c3c(OC)cc(OC)c(C=CC(C)(C)O)c3O2)cc1 2356410647 QMJNQPPYYVEJAY-GOSISDBHSA-N 398.455 4.203 0 1 GIAF CN[C@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356418461 KHBOEHDNAZWJMH-LRRHHXOYSA-N 389.624 4.365 0 1 GIAF Cc1ccc(C)c(-n2cc(CNCCc3cnccn3)c(-c3ccccc3)n2)c1 20541278 FFAQZBJIGLDKCL-UHFFFAOYSA-N 383.499 4.278 0 3 GIAF CCCCc1c(O)n(-c2ccccc2)c(SCC(=O)c2ccccc2)nc1=O 101962374 JCYBHBUGKYPCPW-UHFFFAOYSA-N 394.496 4.256 0 3 GIAF Cc1cccc(CNC(=O)N[C@@H]2CCCCN(Cc3cccc(Cl)c3)C2=O)c1 199357955 UOCABUMUKNHESA-HXUWFJFHSA-N 399.922 4.029 0 3 GIAF COc1ccc(-c2cccc3c2COCC(=O)N3Cc2ccccc2)cc1OC 205207194 XKKJQAVXTOGEMK-UHFFFAOYSA-N 389.451 4.434 0 3 GIAF CSc1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1 2111906 NSHCNXGVXDQJDQ-OAQYLSRUSA-N 377.469 4.130 0 1 GIAF biogenic O=C(O)CCCCCCCn1nnnc1C(c1ccccc1)c1ccccc1 13727572 SJQAFBIQCFOUDW-UHFFFAOYSA-N 378.476 4.279 0 1 GIAF CC(C)c1ccc2c(CCNS(=O)(=O)c3ccccc3)cc(C(=O)O)c-2cc1 13826275 ZAJRRDSSESAQIO-UHFFFAOYSA-N 397.496 4.134 0 1 GIAF COc1cc(C[C@@H](C)[C@H](C)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O 14437607 IBXZKLJADNJZFN-ZIAGYGMSSA-N 390.476 4.190 0 1 GIAF biogenic,in-vitro CC(C)(Oc1ccc(CCNC(=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)O 26399727 JWESYXWOLAVEQI-UHFFFAOYSA-N 396.270 4.208 0 1 GIAF O=C(C(=O)N1CCC[C@H]1C(=O)SCCCc1ccccc1)C1CCCCC1 27104280 CFTNUVBIHRIZGX-IBGZPJMESA-N 387.545 4.019 0 1 GIAF Brc1ccc([C@]2(Cn3ccnc3)OC[C@@H](c3ccccc3)O2)cc1 28768275 ITAPOIQZNBPLNJ-RBUKOAKNSA-N 385.261 4.287 0 1 GIAF COC(=O)C[C@@H](c1ccccc1)[C@H](C(=O)N(C(C)C)C(C)C)c1ccncc1 34987712 KYWHGTBFANPAHY-RBBKRZOGSA-N 382.504 4.158 0 1 GIAF Nc1cc(-n2cc(C(=O)C(=O)Nc3ccncc3)c3ccccc32)ccc1Cl 45340245 MIBSNCMMVMONBY-UHFFFAOYSA-N 390.830 4.083 0 1 GIAF COc1ccc(OC)c([C@H]2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1 62224408 QMCLIYXZDAYHLF-KRWDZBQOSA-N 395.478 4.327 0 1 GIAF O=C(O)C1=Cc2cc(Cl)cc(-c3ccc(C(=O)O)cc3)c2O[C@@H]1C(F)(F)F 66066619 NFHVCPLGEDPFFM-HNNXBMFYSA-N 398.720 4.497 0 1 GIAF C[C@]1(O)c2ccccc2-c2c1c(-n1ccnc1)nc1ccc(Br)cc21 72109178 VVJCLCXPKFBKJE-FQEVSTJZSA-N 392.256 4.419 0 1 GIAF CC(C)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1C[C@@H]1CCCO1 82188691 XBQCJUFHWDYJAR-WMZOPIPTSA-N 379.508 4.344 0 1 GIAF CCc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1 101462843 IWKMXHIFDGSHAC-VVOJOOEHSA-N 387.476 4.389 0 1 GIAF Cc1nc(-c2ccc(F)cc2)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)o1 103291389 QTGQTAAERFRSPY-UHFFFAOYSA-N 399.853 4.405 0 1 GIAF CCSc1ccccc1C(=O)NCCCCCC(=O)Nc1ccccc1N 117587636 ZWBWPHRGGVEAOY-UHFFFAOYSA-N 385.533 4.310 0 1 GIAF CCN(C(=O)CC(C)C)c1cc(C(=O)N[C@H](C)CO)cc(-c2ccc(C)cc2)c1 142639684 SHPZKSUROHZUHN-GOSISDBHSA-N 396.531 4.172 0 1 GIAF Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C(=O)c1ccc(Cl)cc1 143775754 ARRSOLITLZPWFN-UHFFFAOYSA-N 391.652 4.121 0 1 GIAF COc1ccccc1-n1cnc2cc(Nc3nnc(C)c4ccccc34)cnc21 200652331 GEGCGYLKHLIGEC-UHFFFAOYSA-N 382.427 4.424 0 1 GIAF COc1cccc(Cn2nc(-c3cccc(Cl)c3)c3c2CCN(C(C)=O)C3)c1 204893136 PSJXUKRBYYNTCL-UHFFFAOYSA-N 395.890 4.165 0 1 GIAF COc1ccc(-c2cccc(C(=O)N[C@@H](CC(=O)O)c3ccccc3C)n2)cc1 223416934 WMEHTHKFDRYNAP-NRFANRHFSA-N 390.439 4.011 0 1 GIAF COc1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587028392 XOPGKZIMMUMRCG-XIRDDKMYSA-N 396.516 4.103 0 1 GIAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)n1 587116791 AZIYRNQETFWBKD-UHFFFAOYSA-N 376.169 4.406 0 1 GIAF Brc1nccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587231714 FOOGESIBKBXWGU-UHFFFAOYSA-N 383.249 4.270 0 1 GIAF CCc1nccn1Cc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587390320 MEJNGIACVBKMSJ-NRFANRHFSA-N 391.471 4.100 0 1 GIAF CN1CCCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc(C=O)c21 587512869 GFJXFUSKRYYZKK-QFIPXVFZSA-N 375.468 4.467 0 1 GIAF COC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587591711 HIKYKOGLBDNMKT-WMZHIEFXSA-N 390.391 4.056 0 1 GIAF CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2cccc(F)c12 587636846 LPCWZOHTJIRTKC-GFCCVEGCSA-N 376.428 4.208 0 1 GIAF CC(=O)c1cc(N)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587744029 GAUSRAWUZKAHSE-DGIBIBHMSA-N 391.284 4.171 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nn(C)cc3c2)N1 587757228 GJFIPYISOSGDAM-JEOXALJRSA-N 388.284 4.273 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)nn2C)N1 587763908 NHBNITQSWSRRLO-QGHHPUGFSA-N 380.305 4.243 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCN2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790495 DAYOXPZOAFZXCT-WLRWDXFRSA-N 391.284 4.190 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(-c2ccccc2)n1C 587863050 PCWIMYCYVZOVOY-UHFFFAOYSA-N 399.376 4.362 0 1 GIAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2c1ccc(Br)cn1 962706794 OOOJHTAJGMLCKQ-UGSOOPFHSA-N 393.325 4.436 0 1 GIAF CN(Cc1cnc2ccccc2n1)c1nc(-c2cccnc2)nc2ccccc12 1857556381 OOEISRKKKNEDPE-UHFFFAOYSA-N 378.439 4.271 0 1 GIAF O=C(Nc1ccc(Cl)cc1)[C@@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61905122 LYCGXXGZZGWADA-IBGZPJMESA-N 394.814 4.073 0 3 GIAF COc1ccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)[nH]n2)c(C)c1 61927271 MWQJZBYVEKMIPL-UHFFFAOYSA-N 389.377 4.343 0 3 GIAF CNC(=O)c1ccc2c(c1)-c1[nH]nc(-c3ccc(-c4ccc(O)cc4)cc3)c1C2 28822281 BXFBPASIVPFGDZ-UHFFFAOYSA-N 381.435 4.380 0 1 GIAF CN1Cc2cc(OCCCN3CCCCC3)ncc2[C@H](c2ccccc2F)C1 28883522 NSQUWNMLCJNORP-NRFANRHFSA-N 383.511 4.053 0 1 GIAF COc1ccc([C@H]2c3c(ccc4ccccc34)O[C@H]3N=C(S)NC(=N)[C@H]23)cc1 64446968 UXKXKYXXXUUSRZ-HFSMHLIXSA-N 389.480 4.181 0 1 GIAF COc1ccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)cc1 64527376 SSEFPVKVLWTADE-UHFFFAOYSA-N 383.835 4.203 0 1 GIAF C[C@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28527984 BNZXWZGNVGNTIB-INIZCTEOSA-N 379.479 4.443 0 1 GIAF CCCCCN1C(=O)[C@@](CCC(=O)O)(c2ccc3c(c2)OCO3)c2ccccc21 71331798 DOOGLNMQEADVFA-QHCPKHFHSA-N 395.455 4.103 0 1 GIAF O=C(O)COc1ccc(-c2ccccc2)cc1C(=O)c1cnn(-c2ccccc2)c1 36127037 GBCOHXIVTPCPMJ-UHFFFAOYSA-N 398.418 4.234 0 1 GIAF COC(=O)C[C@H](C)CC[C@@H]1C(COC(C)=O)=CC[C@@H]2[C@](C)(CO)CCC[C@@]12C 238766596 VWSFDOGERZAPRR-VLBSGNKRSA-N 394.552 4.280 0 1 GIAF O=C(O)c1cncc(N2C[C@H]3C[C@@H](c4ccccc4C(F)(F)F)C[C@H]3C2)c1 473121708 QVAVBKAFWLDBPC-XMQYKBBCSA-N 376.378 4.429 0 1 GIAF C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccoc1)c1ccc(F)cc1 299877275 GYYGGNFFYYLXPU-UQIDSAAFSA-N 378.403 4.388 0 1 GIAF CC(C)(C)c1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586921778 FWAUKSWQDCQSCX-UHFFFAOYSA-N 382.529 4.366 0 1 GIAF C[C@]1(c2cc(F)cnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569004 JJLQYSYTOQVJIU-OXJNMPFZSA-N 385.778 4.457 0 1 GIAF COCC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587789488 CIQGTHGQJSSDGO-YJYMSZOUSA-N 378.285 4.403 0 1 GIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2c(C)ccc(C)c2[nH]1 586984086 GYOHUDRQTDOZPB-INIZCTEOSA-N 386.293 4.362 0 1 GIAF Cc1nc(Br)sc1-c1nc2c(C)c(Br)cnc2[nH]1 587010614 DPGLUBWZRQRYJK-UHFFFAOYSA-N 388.088 4.223 0 1 GIAF COc1ccc(Br)cc1-c1nc2cccc3c2c(c1CC(=O)O)CC3 587206942 AOQLJKSUSOOLJY-UHFFFAOYSA-N 398.256 4.399 0 1 GIAF Cn1cc([C@@H]2C[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)C2(C)C)cn1 587581770 MNIZEDBCUYAIBP-BTCOZLQPSA-N 390.439 4.040 0 1 GIAF FC(F)(F)c1c(Br)ccc2nc(-c3cnc(Cl)nc3)[nH]c12 587086187 WLFADNZAMLCOAJ-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)O)s2)N1 587844485 ATHRKOMPTFNVGM-ZKANADHPSA-N 384.270 4.146 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3c(F)cccc32)N1 587738721 QIQWJVFCQFGCKW-XTZNXHDOSA-N 379.248 4.321 0 1 GIAF COc1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183721 HPFWRCMIMPNQJN-CMDGGOBGSA-N 376.197 4.347 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2[C@H]2CCCCO2)N1 587759471 LCOGVGBYVRBDQB-HWOJHCLVSA-N 394.288 4.107 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccccc2)N1 587740722 KGTIXKPFPDRISJ-KOAHPJHOSA-N 389.312 4.441 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCc3c(O)cccc32)[C@H]1c1ccc(F)cc1 587352534 KWRJMBALSXEDQG-GMAHTHKFSA-N 376.383 4.438 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O 587449389 JLWNPRJVDJEGRL-YADARESESA-N 386.403 4.085 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc2cc(F)c(F)cc2[nH]1 587867429 FAYTYKIXQDXNAG-UHFFFAOYSA-N 395.291 4.116 0 1 GIAF C[C@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517409 MTAIBCVIFRWTNW-LFVRLGFBSA-N 399.487 4.073 0 1 GIAF Cc1nsc(N)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370320 AGUZHBQZBOSGBN-PXNSSMCTSA-N 384.432 4.153 0 1 GIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12CCCn1nccc12 961751094 QXNSDXIAGROEDA-HSZRJFAPSA-N 394.519 4.072 0 1 GIAF Cc1cc2cc([C@@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c(Cl)nc2cc1C 963525275 LYEXVKWXBZICRP-PXNSSMCTSA-N 396.874 4.207 0 1 GIAF CNc1ccccc1[C@@]1(C(F)(F)F)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963609233 MXGYDEDWHDRPOP-HXPMCKFVSA-N 380.410 4.086 0 1 GIAF Cc1ccnc2c1CCN[C@@]21C=C2C=C[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@H]2CC1 963085964 IFIRJOOTGBMDLA-NTJJNODXSA-N 390.571 4.441 0 1 GIAF Cc1cc2c(cc1O)[C@@H](CCCc1cccc(C(F)(F)F)c1)N[C@H](C(=O)O)C2 963508720 MANMBOZZBIEHDB-MSOLQXFVSA-N 393.405 4.382 0 1 GIAF COc1ccc(CCN[C@]2(Cc3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1OC 13590280 GOTLBDMBTPMJPE-DFIYOIEZSA-N 396.575 4.178 0 1 GIAF O=C(NC1CCCCC1)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 15968166 HXVRWQIBTABCIW-FYYLOGMGSA-N 399.494 4.087 0 1 GIAF biogenic COc1ccc(C(=O)C[C@@]2(OC)C(=O)N(C)c3c(Cl)ccc(Cl)c32)cc1 205122100 RNBAPEDZAFVIQH-IBGZPJMESA-N 394.254 4.093 0 1 GIAF COc1cc2c(cc1OC)-c1nc3ccc(F)cc3c(NCCCN(C)C)c1C2 1857549692 YPQKYOKIJZGKHU-UHFFFAOYSA-N 395.478 4.326 0 1 GIAF COc1ccccc1CSC(=S)NCc1nc(O)c2cc(C)sc2n1 1857629879 HOLYEKHVLCFXTP-UHFFFAOYSA-N 391.543 4.022 0 1 GIAF CC(=O)N(Cc1ccccc1)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 763120 RILPRIQNRXRHOS-OAQYLSRUSA-N 392.499 4.361 0 1 GIAF C[C@@H]1C(=O)c2ccc(O)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1 12353836 LSKIAVDUXFFGTG-MWTRTKDXSA-N 381.472 4.209 0 1 GIAF COc1ccc(NCc2ccc(C(=O)Nc3ccccc3O)cc2)cc1OC 14970807 BWIHVHAXBCNDLB-UHFFFAOYSA-N 378.428 4.274 0 1 GIAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@H]([C@@H](C)C(=O)NC1CCCC1)C2 25206622 MPLGIVPDFJPLHF-MJGOQNOKSA-N 386.580 4.044 0 1 GIAF biogenic OC[C@@H]1CC[C@H](n2cnc3c(NC4CCCCCCC4)cc(Cl)nc32)O1 27320312 QRRLQZHQBPJCFO-WMLDXEAASA-N 378.904 4.279 0 1 GIAF Cc1ccc([C@@H]2C[C@H]3C(=O)c4ccccc4NC(=O)[C@@H]3[C@@]2(O)c2ccccc2)cc1 40763368 OVMCROABUFVYQO-KNZHSQOXSA-N 397.474 4.438 0 1 GIAF O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(Cl)c1 43019052 UCEGXYYVNUOUTE-UHFFFAOYSA-N 376.287 4.251 0 1 GIAF C[C@@]1(C(=O)O)CCN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64448981 WVFQWSQTENHWCH-SDUSCBPUSA-N 375.512 4.420 0 1 GIAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1N[C@H]1C[C@@H](C)CC(C)(C)C1 82204102 BCWCBRQGZQITIZ-MJGOQNOKSA-N 394.567 4.133 0 1 GIAF N[C@@H](CS[C@@](Cc1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(=O)O 84706022 OTLCMKQJGDNWTD-GMAHTHKFSA-N 395.499 4.457 0 1 GIAF Cc1nn(C)c(Oc2ccccc2)c1C(=O)N1CCCC[C@@H]1c1cccnc1 95589744 JPMIRJARZDDPJF-LJQANCHMSA-N 376.460 4.283 0 1 GIAF O=C(Nc1cc(-c2ccccc2)no1)c1nc(C2CC2)ccc1Nc1cncnc1 96167415 QAKXXHRGFHPJGF-UHFFFAOYSA-N 398.426 4.400 0 1 GIAF CC[C@@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 169349335 UWPNKBCSKDRBJI-PQNGQFLHSA-N 387.483 4.193 0 1 GIAF Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1ccc(OCC(=O)O)c(F)c1 473086963 JDQRCQUDNBMUCU-AWEZNQCLSA-N 389.423 4.127 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(O)cc3[nH]2)C[C@H]2CCCC[C@@H]21 587025851 IRMKMUKHYYYKKQ-CCKFTAQKSA-N 381.501 4.405 0 1 GIAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(Br)c(F)c(F)c2[nH]1 587059806 XLAHNOUHSZCIQS-JTQLQIEISA-N 386.627 4.500 0 1 GIAF Cc1c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)nnn1Cc1ccc(Cl)cc1 587073588 JYAXESPQYWCBNE-UHFFFAOYSA-N 392.772 4.245 0 1 GIAF Cc1ccc2c(ccc3nc(CNC(=O)c4cccc(C(F)(F)F)c4)[nH]c32)n1 587110826 DEQIXAMIXNQMIB-UHFFFAOYSA-N 384.361 4.368 0 1 GIAF O=C(NCc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1cccc(C(F)(F)F)c1 587111195 KSUTUYVYGKGPKO-UHFFFAOYSA-N 389.711 4.443 0 1 GIAF Cc1cc(F)c2nc(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)[nH]c2c1 587124878 MSTBCHZMTTWOQX-UHFFFAOYSA-N 387.358 4.247 0 1 GIAF CC(C)Oc1cc2nc([C@@H](N)c3ccc(F)cc3F)[nH]c2cc1Br 587152064 YLZROZBGPJAYAC-INIZCTEOSA-N 396.235 4.439 0 1 GIAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc(C(F)(F)F)c2[nH]1 587193481 BHBIMRVJAXDXDM-CYBMUJFWSA-N 386.418 4.099 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3ccc4c(c3[nH]2)CCCC4)CCC(O)CC1 587236626 BRZYKFSGIPSIBM-UHFFFAOYSA-N 385.508 4.097 0 1 GIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(OC(C)C)cc3[nH]2)cc1 587244743 LHEQWELBDAQYKJ-UHFFFAOYSA-N 390.443 4.490 0 1 GIAF C[C@]1(c2ccc(Cl)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326934 DKSRLPCRUGZLMB-AZUAARDMSA-N 384.794 4.249 0 1 GIAF COc1ncccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336128 JDIWSPTUICAHMP-UGKGYDQZSA-N 379.387 4.209 0 1 GIAF COC(=O)[C@](C)(O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363307 QFJPUGUENXTCOB-JOCHJYFZSA-N 377.396 4.037 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(O)[nH]c3cc(Br)ccc13)O2 587370326 FFYNUOLAEDIGDN-HNNXBMFYSA-N 387.233 4.233 0 1 GIAF COc1ccc(Br)c2c1CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587371163 IZCRGUTXZSBBSH-IBGZPJMESA-N 388.261 4.155 0 1 GIAF COc1cc(Br)cc(F)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587381281 GFRZIVUXRJHANG-OAHLLOKOSA-N 380.213 4.194 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C=C(c4ccncc4)Oc4ccccc41)[C@@H](C2)C3=O 587436789 TZQGEJJWZBMOQC-MHECFPHRSA-N 383.403 4.167 0 1 GIAF CC(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587577162 JHKLYERAUDUMKV-UGKGYDQZSA-N 375.380 4.054 0 1 GIAF Cc1nc(O)c(Cl)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587694372 HKFMAWAZZIWSRW-QPFGOUBPSA-N 399.691 4.448 0 1 GIAF CCOC(=O)C[C@]1(CC2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587795348 IMXGGUHSTZNIFV-ZMZPIMSZSA-N 384.289 4.071 0 1 GIAF COC(=O)[C@@H]1CCC(C)(C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587808988 PPBJAOAMBWEIQH-BLWXERESSA-N 398.316 4.317 0 1 GIAF COC(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587812547 ZPJQGWIQVMXWGT-WLRWDXFRSA-N 392.268 4.173 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(C(=O)O)cc32)N1 587826022 JGKZXNFVAAODEK-GIGQVBGESA-N 390.252 4.010 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C(F)(F)F)cn1 587867996 GSKFPKYZXUDQKB-UHFFFAOYSA-N 388.271 4.376 0 1 GIAF COc1ccc(-c2ncccc2CN2CCN(c3cccc(C)c3C)CC2)cn1 621476392 NIZSUJXNGOFMED-UHFFFAOYSA-N 388.515 4.091 0 1 GIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1cn2cccc(Br)c2n1 963093799 BCCAIYDLLJNHRM-KBXCAEBGSA-N 386.268 4.346 0 1 GIAF Cc1ccc(ON2C(=O)[C@@H](NC(=O)OCCCCC3CCCCC3)[C@@H]2C)cc1 1772617076 VHODITWBWRFEID-PXNSSMCTSA-N 388.508 4.365 0 1 GIAF Fc1ccc(-c2nc3ccccn3c2-c2ccnc(NC3CCOCC3)n2)cc1 1857584756 HSPKUFMEMMXAGY-UHFFFAOYSA-N 389.434 4.188 0 1 GIAF O=C(Nc1ccc(-c2ccccc2)cc1)C1CCN(Cc2ncccc2O)CC1 1857586460 ZJLXFIOJCBCAFC-UHFFFAOYSA-N 387.483 4.305 0 1 GIAF Cc1ccsc1C(=O)N1CC[C@@]1(C)C(=O)NCc1cccc2ccccc12 61930071 LFMPMFZPSNMMFY-QFIPXVFZSA-N 378.497 4.131 0 3 GIAF Oc1noc(C2CCNCC2)c1Cc1ccc2cccc(Br)c2c1 13607802 PCMYNFZJGYIEBP-UHFFFAOYSA-N 387.277 4.354 0 1 GIAF Oc1ccc2c(c1Cl)CCN(C(=S)NCCc1ccc(Cl)cc1)C2 29123166 VPWVMICURIBMBZ-UHFFFAOYSA-N 381.328 4.174 0 1 GIAF CCc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)n1 73296503 VBUVGSCCBSYFOT-UHFFFAOYSA-N 391.519 4.302 0 1 GIAF CC1(C)OC(c2ccc(S(C)(=O)=O)c(Cl)c2)=C(c2ccc(F)cc2)C1=O 138251507 DGBLSVCEWJDWKU-UHFFFAOYSA-N 394.851 4.129 0 1 GIAF CCc1cccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1 167439140 FYJACSBXDMRQAE-UHFFFAOYSA-N 387.483 4.054 0 1 GIAF Cc1ccc(CCC(CCc2ccc(C)cc2)NCCCNCCCN)cc1 169315408 PTYHPHPBFUNKRB-UHFFFAOYSA-N 381.608 4.156 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4CC(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@]12C 169714081 YVZMTHUNKWMORW-FZIKJVDYSA-N 386.580 4.373 0 1 GIAF CCCCCCN1C[C@@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(OC)cc1 195392803 ZAUXEZACOUTYCB-XPWALMASSA-N 398.551 4.093 0 1 GIAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)cc2sc(N3CCCCC3)nc12 208127555 UNJPULAMSOGVTR-UHFFFAOYSA-N 390.896 4.191 0 1 GIAF CN(C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl)c1ccccc1N 299824769 BWBIWCHYBAQMTG-UHFFFAOYSA-N 389.242 4.435 0 1 GIAF NC(=O)c1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)cc1 299857084 CKAZXHNCDNJMBV-UHFFFAOYSA-N 375.359 4.434 0 1 GIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 586882424 SMODYAAVEKWIDL-UHFFFAOYSA-N 394.438 4.053 0 1 GIAF CCCn1cnc2cc(-c3nc4cccc(C(=O)O)c4[nH]3)cc(Br)c21 587004737 ZOBFUOPMRZWFOU-UHFFFAOYSA-N 399.248 4.450 0 1 GIAF CCS(=O)(=O)c1ccc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2c1 587095213 BFXMASBEUSMGTG-UHFFFAOYSA-N 382.407 4.275 0 1 GIAF CC(C)OC(=O)C1(c2nc3cc(F)cc(Br)c3[nH]2)CC(F)(F)C1 587131294 CKMMODRJAOPFEZ-UHFFFAOYSA-N 391.187 4.083 0 1 GIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(F)c1 587143804 AOPVXXNEAXQJKS-UHFFFAOYSA-N 388.402 4.327 0 1 GIAF Cc1cc(Br)c2[nH]c(Cc3cc(F)cc4c3OCOC4)nc2c1 587172158 XUQLUVFQXVNTGK-UHFFFAOYSA-N 377.213 4.230 0 1 GIAF CCOC(=O)CNc1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1 587224481 ITDKLGUWRXIGRC-UHFFFAOYSA-N 392.228 4.107 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3nc4cc(Cl)ccc4o3)CC1)O2 587380053 OUHKTQYCQRWLIJ-UHFFFAOYSA-N 397.862 4.376 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(CNC(=O)OC(C)(C)C)c1)O2 587387194 NYPXOTQBOFOCDN-IBGZPJMESA-N 382.460 4.308 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccccc1OC)CC2=O 587469497 IRPDTGUBCZVOEM-QFIPXVFZSA-N 383.444 4.106 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)CC2=O 587471387 RPLVOLHSFVZLSZ-LRTDBIEQSA-N 377.481 4.372 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)Oc1ccc3c(c1)OCO3)CC2=O 587491716 PGGIOWBBVFECOQ-MCMMXHMISA-N 384.428 4.265 0 1 GIAF O=C(NC1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1)OCc1ccccc1 587510464 HDBSIMYRFISVGO-UHFFFAOYSA-N 391.467 4.358 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c2ccc(F)c1F 587571583 QOIRDIZIYUILIM-GCJKJVERSA-N 380.346 4.474 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ncc[nH]1)c1cccs1 587609370 BSHXMUDIXNMZFF-UWJYYQICSA-N 390.420 4.082 0 1 GIAF Cc1c(-c2cc(Br)ccc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587650012 OFWCSARXANVUII-UHFFFAOYSA-N 382.254 4.448 0 1 GIAF COc1cc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587722583 SSVBSWRXXRTAPJ-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccccc3)no2)N1 587793197 KGNSPUHBPGERAN-QFYYESIMSA-N 388.240 4.262 0 1 GIAF CC(=O)Nc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850513 ZKIMQOIAHPBWQU-PWJLMRLQSA-N 383.286 4.232 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CSc1ccccn1 587863341 GOXNGJINDAUNLK-UHFFFAOYSA-N 393.390 4.405 0 1 GIAF CC[C@@H](C(=O)n1nc2cc1Oc1ccc(F)cc1-2)n1cc(Br)cn1 587872047 GDXPTFXLCNSNDC-ZDUSSCGKSA-N 391.200 4.045 0 1 GIAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(N(C)C)cc1 618005066 IWQVVQXQGSZHHO-OAHLLOKOSA-N 382.489 4.184 0 1 GIAF CCCC[C@@H](CNC)N1CCN(CCc2c[nH]c3ccccc23)[C@H](C(C)C)C1 653725376 MDZSNTSODQDUDB-URXFXBBRSA-N 384.612 4.131 0 1 GIAF C[C@@]1(c2cc3cc(O)ccc3s2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963222602 GVQHFGDGBCUXNW-XMSQKQJNSA-N 390.464 4.018 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccccc1)[C@@H](N)c1ccccc1 963613751 VVKGOOVNJHIPCC-WGXRPPGPSA-N 388.511 4.182 0 1 GIAF CC1(C)OC(=O)N([C@H]2CC[C@H](NC(=O)c3ccc[nH]3)CC2)[C@H]1c1ccccc1 1772629233 RMIBXQIAPNJYOC-LNLFQRSKSA-N 381.476 4.028 0 1 GIAF C[C@H](C(=O)N=c1cc[nH]cc1)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 1857635960 PQUBSMMDULWTMA-ZDUSSCGKSA-N 386.377 4.403 0 1 GIAF O=C(Nc1cccc2ncsc12)N1CCN(c2cccc3[nH]ccc23)CC1 1857650613 FHXPZOILFJDFHI-UHFFFAOYSA-N 377.473 4.132 0 1 GIAF N[C@H](c1ccccc1)c1ccc(C(=O)Nc2nc3ccc(O)cc3s2)cc1 1911585633 WMHWSQSRVLCBCN-LJQANCHMSA-N 375.453 4.302 0 1 GIAF COC(=O)c1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CN(C)C)C=C3C)[nH]c2c1 2356747037 KKPWGDIESLLPLN-OTWHNJEPSA-N 383.536 4.308 0 1 GIAF CCN(CC)C(=O)c1cccc(-c2csc([C@H](O)c3ccc(OC)cc3)n2)c1 61903172 NKOFJYXOIKTAOU-HXUWFJFHSA-N 396.512 4.382 0 3 GIAF CN(Cc1ccccc1)[C@@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C 95567344 XFMMVTKSXXRUII-FQEVSTJZSA-N 375.476 4.396 0 3 GIAF Cn1c(=O)sc2cc(C(=S)N3CCC(Cc4ccccc4)CC3)ccc21 1652422 ZOKJTQKFJOHAFR-UHFFFAOYSA-N 382.554 4.230 0 1 GIAF COc1ccc(-c2nc3c4nsnc4ccc3n2C)cc1Br 20854400 RNDGSENHPIUIGX-UHFFFAOYSA-N 375.251 4.016 0 1 GIAF COc1ccccc1N1CCN(CCCCOc2ccc3c(c2)CCC3)CC1 26495969 ASIBWUUWEAHDOF-UHFFFAOYSA-N 380.532 4.165 0 1 GIAF CC(=O)Nc1ccc(Cn2ccc(OCc3ccccc3)cc2=O)c(Cl)c1 29047639 JYAIMARCLUWEQU-UHFFFAOYSA-N 382.847 4.087 0 1 GIAF O=C(O)c1ccc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)cc1 35332994 QWCHFYISAYIJQM-UHFFFAOYSA-N 396.196 4.101 0 1 GIAF O=C(c1ccc(Cl)cc1)N1CCN(Cc2ccc(-c3ccncc3)cc2)CC1 40937550 ZVSOQMNOCJWZQN-UHFFFAOYSA-N 391.902 4.360 0 1 GIAF CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccnc2OC)c1 43060260 XIDWGLCCNBGPKR-UHFFFAOYSA-N 380.492 4.262 0 1 GIAF COc1cc2nc(N3CCCC3)nc(NCCc3ccc(F)cc3)c2cc1OC 82130121 DUNFTHUITWERTJ-UHFFFAOYSA-N 396.466 4.041 0 1 GIAF O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)[C@@H](Cc2ccccc2)NC1=O 101446017 VHIJAUIYYZURPY-HXUWFJFHSA-N 390.483 4.226 0 1 GIAF O=C(NC(=O)c1c(F)cccc1F)OCc1ccc(-c2ccccc2F)o1 103212790 FTDKXGUPPKYTSB-UHFFFAOYSA-N 375.302 4.431 0 1 GIAF O=C(Nc1ccc(Br)cc1)c1c(O)cc(-c2ccccc2)oc1=O 103276739 RNSZMRKQBBZETJ-UHFFFAOYSA-N 386.201 4.027 0 1 GIAF CN(C)Cc1cccc([C@H]2c3n[nH]c(=O)c4cccc(c34)N[C@@H]2c2ccccc2)c1 118624529 JROUHZIBVBIHNE-FYYLOGMGSA-N 396.494 4.283 0 1 GIAF Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)C(C)(C)C(=O)N3)oc2ccccc12 206469694 RVBSHRUYJYRNJW-MDZDMXLPSA-N 389.455 4.038 0 1 GIAF Nc1nc(N)c2c(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]c2n1 222801393 BIHWLSDQBFEANX-UHFFFAOYSA-N 380.249 4.219 0 1 GIAF in-vitro CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]3C4=C(/C(=C/CCC)OC4=O)[C@H](C[C@@H]3O)[C@H]21 238731111 XJWHYHJLIGBXTB-VGEXTBBZSA-N 396.483 4.098 0 1 GIAF CC[C@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 586886663 CPFANCNCWKCLOI-JLTOFOAXSA-N 385.489 4.276 0 1 GIAF CN(C)CCOc1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586894958 HVAINZPFCXRSHL-UHFFFAOYSA-N 387.483 4.330 0 1 GIAF COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)OCCO4)ccc1Br 586976425 KEYXMTSWGDPGMD-HYXAFXHYSA-N 387.233 4.276 0 1 GIAF Fc1cnc(Br)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 587077517 VORQUAMYSZIKNX-LLVKDONJSA-N 395.619 4.130 0 1 GIAF COc1cc(OC)c2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c1 587168479 XPJQDMXCEPNGRR-INIZCTEOSA-N 384.411 4.088 0 1 GIAF COC(=O)c1cccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 587191518 VMNAMUHCLHZPPL-SFHVURJKSA-N 395.459 4.306 0 1 GIAF O=C(Nc1ccccc1)c1ccc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)cc1 587245367 WPYFFKSXGCMZGM-UHFFFAOYSA-N 375.359 4.320 0 1 GIAF CC[C@]1(c2cn(C)nc2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342460 NPVINAFMRMMZFI-RBBKRZOGSA-N 380.419 4.238 0 1 GIAF COC(C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC 587346648 JXNFGQIAMWBCQP-IRLDBZIGSA-N 388.435 4.294 0 1 GIAF O=C1C[C@](Cn2ccnc2)(c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587504856 NRFRCRZXWJKPQG-QHCPKHFHSA-N 376.431 4.462 0 1 GIAF CCOC(=O)[C@@]1(c2ccc(OCC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523557 KBVTVDAUTIOWNH-DEOSSOPVSA-N 394.467 4.388 0 1 GIAF C[C@@]1(c2cc(F)c(N)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558734 TWTIGYRRLVRASP-UWJYYQICSA-N 383.350 4.130 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1Cc1cccnc1 587576915 LGWDFQILBGUXCS-QPPBQGQZSA-N 398.418 4.340 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccn(Cc2ccccc2)n1 587581436 LFSMFZNWJHVWMS-QPPBQGQZSA-N 398.418 4.340 0 1 GIAF CCCCC[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597493 QROSPHGMLNILRI-AVRDEDQJSA-N 384.428 4.236 0 1 GIAF COC(=O)c1c(-c2cccc(I)c2)[nH]c2cccc(F)c12 587634762 QOTUKGRZMKJDQR-UHFFFAOYSA-N 395.171 4.365 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(-c3cccc(F)c3)c(C(=O)C(F)(F)F)c2c1 587648713 FZXDDTPOJCARIH-UHFFFAOYSA-N 385.338 4.123 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc[nH]c32)N1 587801209 DRCYUKGJHBZSLE-XTZNXHDOSA-N 378.289 4.062 0 1 GIAF COC(=O)C1(C)CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587803871 CGVTWCOSCGRTCY-IPPDQLOFSA-N 384.289 4.071 0 1 GIAF COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587808220 PQXLBFURPNQGNK-YPMLDQLKSA-N 380.257 4.100 0 1 GIAF CN1C(=O)CCc2cc([C@@H]3c4ccsc4CCN3Cc3cccn3C)ccc21 962397784 LYFMDIXYNIFYTH-HSZRJFAPSA-N 391.540 4.143 0 1 GIAF COc1ccc2c(c1)[C@]1(C=CN2C)c2cccc(F)c2CCN1[C@H]1CCSC1 962713649 SHYSVKULLQCZOQ-HJPURHCSSA-N 396.531 4.405 0 1 GIAF C[C@]1(c2cc(CN3CCOCC3)cs2)c2c(F)cccc2C[C@@H]2CCCN21 963099698 IOUDAZPUYVREOP-AVRDEDQJSA-N 386.536 4.003 0 1 GIAF CCC(=O)[C@@H](CCC(=O)OC)[C@]1(CC)NCCc2c(Cl)cc(Cl)cc21 963119721 HQGNANSKDWMQKD-KUHUBIRLSA-N 386.319 4.293 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@]21CCN(C(=O)OC(C)(C)C)CC[C@@H]1C 963269248 GZBJDXILSYZTKK-QKKBWIMNSA-N 394.943 4.357 0 1 GIAF Nc1ncccc1-c1cc(Cc2ccc(OCCc3cccc(F)c3)nc2)no1 1857547945 KBKHBXOIAVMDQH-UHFFFAOYSA-N 390.418 4.065 0 1 GIAF Nc1c(C(=O)NCc2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1 1857598591 IFIQVPBPPQNMHM-UHFFFAOYSA-N 394.784 4.057 0 1 GIAF CC(=O)Nc1nc(C)c(-c2cc(Cl)c3c(c2)CN([C@H](C)C2CC2)C3=O)s1 1857637572 SDQPODDUDFEPDG-SNVBAGLBSA-N 389.908 4.485 0 1 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@@H](C)[C@]12C 2356582145 CDBIVUXQDDOZNF-CCIFJCQYSA-N 388.460 4.319 0 1 GIAF COc1cccc(CNc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c1 61906211 WETBFRGHUBGOJN-UHFFFAOYSA-N 377.469 4.283 0 3 GIAF CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 61927185 CDGUYXDPYFMYQR-ZDUSSCGKSA-N 375.412 4.104 0 3 GIAF O=C(Nc1ccc(Br)cc1)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2 263590852 VVXDVYPVFHDBLQ-VJUNAUMWSA-N 379.298 4.261 0 3 GIAF O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 767804 DOMZMSRNJFKBDH-FPOVZHCZSA-N 394.471 4.338 0 1 GIAF Cc1c(CN2CCN(C(=O)Nc3cccnc3)CC2)sc2ccc(F)cc12 43023933 KMBKQDKTIYJZPP-UHFFFAOYSA-N 384.480 4.094 0 1 GIAF Cc1ccc2nc(CCc3ccccc3)n(-c3ccc(C(=O)O)cc3)c(=O)c2c1 58569235 PRINHAMBHBTIRS-UHFFFAOYSA-N 384.435 4.178 0 1 GIAF c1ccc2c(-c3cn(C[C@@H]4Cc5c([nH]c6ccccc56)CN4)nn3)cccc2c1 64526429 OFZLBWHZZNDTJA-KRWDZBQOSA-N 379.467 4.294 0 1 GIAF C[C@@H](Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1)CC(C)(C)C 66124282 RFWXOMAPNSYTBP-NSHDSACASA-N 383.851 4.494 0 1 GIAF CCCCCNc1ncnc2c1nc(CCc1ccccc1)n2C[C@H]1CCCO1 82186669 QBMZGJZZHWUTKU-LJQANCHMSA-N 393.535 4.393 0 1 GIAF Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5cc(F)cc(F)c5)c4)c3c2)cn1 96282981 ATZJNUYRMAFPBF-UHFFFAOYSA-N 390.397 4.153 0 1 GIAF Cc1nc(NC(=O)[C@H]2C(=O)N3c4ccccc4CCc4cccc2c43)sc1C 100658619 PBPKXHSCECWCRL-SFHVURJKSA-N 389.480 4.259 0 1 GIAF CO[C@@]1(CO)C[C@@]23CC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]2CC[C@@H]1C3 238740542 MLWZOEODCMKKCC-RZNBLONSSA-N 378.553 4.338 0 1 GIAF O=C(/C=C\c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 299853678 OJALHTBIRLQALG-LWAXHKBTSA-N 391.298 4.103 0 1 GIAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587024249 QZWCJVJXBHPVPH-UHFFFAOYSA-N 375.500 4.209 0 1 GIAF O=C(Nc1ccccc1Cl)c1nc2c(I)cccc2[nH]1 587060186 DVYOUBXJYUMYMZ-UHFFFAOYSA-N 397.603 4.073 0 1 GIAF CC1=C(c2ccc3nc(-c4ccc(C(F)(F)F)cc4F)[nH]c3c2)NNC(=O)C1 587110011 QAMTYGBNLJIKED-UHFFFAOYSA-N 390.340 4.143 0 1 GIAF NC(=O)c1cccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587150735 NWIAUSZQFDCOBU-LJQANCHMSA-N 379.366 4.108 0 1 GIAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(F)c(C)cc2[nH]1 587181247 PHZWMJXAJGOFJR-SECBINFHSA-N 398.223 4.450 0 1 GIAF CN[C@@H](c1cccnc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587222945 MGCYXNDROJOAJZ-ZDUSSCGKSA-N 385.187 4.048 0 1 GIAF CCOC(=O)CNc1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 587227743 UZLKJCBFFDDXEQ-UHFFFAOYSA-N 379.338 4.104 0 1 GIAF CCOC(=O)[C@H](CC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351878 VNLHYWJQRURBKD-JLMWRMLUSA-N 386.419 4.238 0 1 GIAF CCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587377712 PAVHHFPUSHWHGO-QGZVFWFLSA-N 376.250 4.445 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](/C=C1/SCC(=O)N1C)(C(C)(C)C)CC2=O 587497587 XIMQWDMPJHRBML-DGKKPVBHSA-N 389.517 4.141 0 1 GIAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)n1 587551894 KXFHYKKKCVWROM-YLJYHZDGSA-N 396.830 4.210 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]1SCCS[C@@H]12 587617838 LCXNGDCFKOLSDX-CPLUKWAASA-N 386.494 4.104 0 1 GIAF COC(=O)c1c(-c2ccccc2C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587649919 MYNXNTNOMPFHQQ-UHFFFAOYSA-N 397.374 4.044 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccc(C(F)(F)F)n2)N1 587716353 UTCVNBSSEYOCPC-UHLUBPPHSA-N 390.178 4.021 0 1 GIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805834 HWMNRFWFFIZQFV-WLRWDXFRSA-N 394.284 4.403 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H]2CCOC2)N1 587836707 XLQJYABXIIHGMV-AUJRIZCKSA-N 390.296 4.403 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCCC3)s2)N1 587852120 DHUTYLPASKNCNA-MGPLVRAMSA-N 396.329 4.269 0 1 GIAF COc1ccc2c(c1OC)[C@@](CC(=O)C(F)(F)F)(CC(C)C)N(C)[C@H](C)C2 962558134 AUTHNQXVLOCDCP-YJYMSZOUSA-N 387.442 4.343 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cnc(-c3cccs3)s2)N1 963229368 KMGKSLPWBVULIS-YJBOKZPZSA-N 393.493 4.108 0 1 GIAF C[C@H]1[C@@H](c2ccccn2)OC(=O)N1C(=O)NCCc1cccc2ccccc12 1772643347 PBHQUQCOHHOVEX-YWZLYKJASA-N 375.428 4.069 0 1 GIAF CC=Cc1cc(OC)c(O[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 2356339618 QZBRVSFQZQNRIB-SZNDQCEHSA-N 388.460 4.255 0 1 GIAF O=c1[nH]c2ccc(N3CCC(Cc4ccccc4)CC3)nc2nc1-c1ccccc1 2500067 YNCKHNDFFANHLU-UHFFFAOYSA-N 396.494 4.444 0 1 GIAF Cc1cc(NC(=O)CN2C(=O)C[C@H](c3ccccc3)Sc3ccccc32)no1 4162773 ZRXMFAODDOEIIE-GOSISDBHSA-N 393.468 4.192 0 1 GIAF CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N(C)C 4205032 IZGGVUXLSMMTSF-IEBWSBKVSA-N 390.842 4.058 0 1 GIAF Clc1ccc(CN2CCN(CCCOc3cccc4cccnc34)CC2)cc1 43073943 UAHDDEPGCCRCQB-UHFFFAOYSA-N 395.934 4.475 0 1 GIAF Fc1ccc(OC2CN(c3nccc(NCc4ccccc4Cl)n3)C2)cc1 45335174 AKDJTEXSZCAPQJ-UHFFFAOYSA-N 384.842 4.149 0 1 GIAF CCC1(CC)c2c(ccc(OC)c2OC)CC2=[N+]1CCc1cc3c(cc12)OCO3 72106801 OWXQAJSSEMBYPV-UHFFFAOYSA-N 394.491 4.062 0 1 GIAF CC(=O)c1nc(C(=O)NCCc2c[nH]c3ccccc23)cc2c1[nH]c1ccccc12 73197047 PCOBOAPRWGQQGA-UHFFFAOYSA-N 396.450 4.373 0 1 GIAF biogenic CC[C@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc(C)c1 82146412 QNMMJDYOVUPWIY-BZSNNMDCSA-N 380.536 4.463 0 1 GIAF N[C@@H](CS[C@@](Cc1ccccc1)(c1ccccc1)c1cccc(O)c1)C(=O)O 84706015 MAMGUVPVCXVLOC-GMAHTHKFSA-N 393.508 4.024 0 1 GIAF CCCCOc1c(OC)ccc2cc3[n+](cc12)CCc1cc2c(cc1-3)OCO2 95595891 FTSHHMRHCYPCEP-UHFFFAOYSA-N 378.448 4.267 0 1 GIAF CC(C)=CCc1c2c(c(O)c3cc(C(C)(C)O)oc13)C(=O)[C@@H]1C=CC=C(O)[C@@H]1N2 95909931 FSPOYVYBSQSARA-KZULUSFZSA-N 395.455 4.479 0 1 GIAF biogenic,in-vitro CCCOc1cccc(-c2cccc([C@@H]3C[C@H]3[C@]3(C)CC(=O)N(C)C(N)=N3)c2)c1 96933654 YLMCNCOJWRFDFU-IMSXRSKXSA-N 391.515 4.181 0 1 GIAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)c4ccc(F)cc4)C[C@@H]2N3)cc1 100106133 QJHRKHZDWGYWMB-BKFWDETESA-N 386.470 4.381 0 1 GIAF CC(=O)O[C@@H]1O[C@H]2OC(=O)C[C@@H]1[C@@H]2[C@]12CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 140541314 FNZALXOIBWQNEG-YKWJQLNSSA-N 376.493 4.044 0 1 GIAF CC(C)CNc1nc(C2CC2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12 169283929 FDJJCUFQMYVZTH-UHFFFAOYSA-N 389.503 4.234 0 1 GIAF Nc1ncc(-c2ccc(-c3ccccc3Sc3ccncn3)cc2F)cn1 224804945 BSYNSLQPDUSLPB-UHFFFAOYSA-N 375.432 4.473 0 1 GIAF O=C1CCc2cc3nc(-c4nc(Br)sc4C4CC4)[nH]c3cc2N1 587012446 JONBCRLLCUIJGA-UHFFFAOYSA-N 389.278 4.211 0 1 GIAF COc1cc2nc(COc3c(C=O)cc(Cl)cc3OC)[nH]c2cc1Cl 587064808 GXTAHVBFFNBVLW-UHFFFAOYSA-N 381.215 4.278 0 1 GIAF CCOC(=O)[C@H]1C(=O)Cc2nc3c(C)ccc4c3c(c2[C@@H]1C)-c1ccccc1C4=O 587096338 CXUDEGTWMDCKMF-RNODOKPDSA-N 399.446 4.163 0 1 GIAF Fc1c(F)c(-c2nc3c(F)cnc(Br)c3[nH]2)c(F)c(F)c1S 587134134 IRDFYWPFNQLQDH-UHFFFAOYSA-N 396.138 4.372 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(/C=C\c3ccc(F)cc3F)[nH]c2c1 587150015 IZOSEKVZNZKFKD-UITAMQMPSA-N 391.443 4.090 0 1 GIAF Fc1cccc(Cn2nnc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)c2Cl)c1 587162545 WVWITVBOXBMTMU-UHFFFAOYSA-N 397.628 4.364 0 1 GIAF COc1cc(N)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341755 ZXOHVNSWFLYJMK-JTHBVZDNSA-N 393.414 4.396 0 1 GIAF COC(=O)[C@@](C)(O)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363308 QFJPUGUENXTCOB-QFIPXVFZSA-N 377.396 4.037 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1cccs1)([C@H](O)c1cccs1)[C@@H](C2)C3=O 587448718 BOPJYIZGUDOZKO-SVIJTADQSA-N 384.478 4.195 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587453981 QOGWHQFRXPIVHD-DFBJGRDBSA-N 398.414 4.477 0 1 GIAF O=C1C[C@](Cn2ccnc2)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587502983 JULMZYZSWIXNJL-QHCPKHFHSA-N 376.431 4.462 0 1 GIAF C[C@H](Oc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(=O)O 587526588 YJJOVTDQCAIAIR-LFVRLGFBSA-N 380.440 4.298 0 1 GIAF O=C(O)/C=C\C1=COc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531668 KQBUFHITIFZYNZ-PFQQOQBSSA-N 388.419 4.343 0 1 GIAF CCn1ncc([C@@]2(C(C)C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587583149 TWURWLIDTQCCBI-NZQKXSOJSA-N 392.455 4.430 0 1 GIAF CCCn1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587584232 ZBGWAGZMKFMKBE-SIKLNZKXSA-N 378.428 4.318 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1nccs1 587620404 YZXILDUWZSDUEH-YLJYHZDGSA-N 390.420 4.342 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(O)c(F)c2)N1 587723649 YHSXNSZTFBKLBR-QPFGOUBPSA-N 386.211 4.370 0 1 GIAF C[C@H]1CN(C(C)(C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)O1 587757901 BOEVGLRQRHVUTC-ZIVKBKJYSA-N 399.348 4.051 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587800844 ZYGWNYCHXNGOFR-SRBZOADZSA-N 384.289 4.071 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2/C=C/C(=O)O)N1 587828264 ODZGRCSOUMYGLK-QIZODCKISA-N 390.252 4.310 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3oc(=O)ccc3c2)N1 587837574 ISCZEIGRBJQNLE-DGIBIBHMSA-N 388.236 4.318 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nnc2c(n1)[nH]c1c(C)cccc12 587873190 WMGXKIDKODINPF-UHFFFAOYSA-N 388.406 4.205 0 1 GIAF O=C(O)c1ccc2c(c1)CCC[C@]21NC2(CC2)Cc2ccc(Br)cc21 961614828 MDIIISHSTZEWRO-NRFANRHFSA-N 398.300 4.406 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@]2(c1ccccn1)c1ccc(F)cc1F 963256817 FVWHOUFSDPWFOC-NRFANRHFSA-N 386.829 4.459 0 1 GIAF COc1cc2nccc([C@H](OC(C)=O)c3ccc4c(ccn4C)c3)c2cc1OC 1772647876 ZPNILTGHEGYIDH-HSZRJFAPSA-N 390.439 4.396 0 1 GIAF NC(=S)c1cccc(-c2cn(CCCC(F)(F)F)c3cc(N)ccc23)n1 1857534075 NALSIHARUXQDPA-UHFFFAOYSA-N 378.423 4.262 0 1 GIAF COc1ccc(CCNC(=O)NC(=O)c2ccc(Oc3ccccc3)cc2)cc1 1857651263 JWRMMCKIPMSJOF-UHFFFAOYSA-N 390.439 4.170 0 1 GIAF CN(C)C(=O)c1ccc(OCCCCCC2CCC3(CC2)OCCO3)cc1 1857758915 QXOQRBIWKPDCSG-UHFFFAOYSA-N 375.509 4.261 0 1 GIAF CC(C)=CCCC(C)=CCC[C@@](C)(O)[C@H]1Cc2c(O)cc3c(c2O1)CNC3=O 2356346900 CNUACMUVPKQEDD-NFBKMPQASA-N 385.504 4.163 0 1 GIAF COc1cc([C@@H]2c3c(cc4c(c3OC)OCO4)C[C@H](C)[C@H]2C)cc2c1OCO2 2356656003 NZWRYANDYKYMPU-VNBZBWLYSA-N 384.428 4.121 0 1 GIAF CC1=C2C3=C[C@@]4(C)O[C@]5(CC(C)C)NC(=O)[C@]3(C(=O)C[C@H]2CCCC1)[C@H]5[C@H]4C 2356728212 CFVDPKHKEWPBHC-FODLOSGWSA-N 383.532 4.306 0 1 GIAF CCOC(C(=O)OC[C@H]1CCCN1C(C)C)(c1ccccc1)c1ccccc1 2033020 UBUVOKZFCAPGJD-JOCHJYFZSA-N 381.516 4.383 0 1 GIAF COc1ccc(-c2coc3cc4c(c(OC)c3c2=O)C=CC(C)(C)O4)c(O)c1 13311972 HVEWGSVMGTYARC-UHFFFAOYSA-N 380.396 4.367 0 1 GIAF biogenic,in-vitro CCCN(CC1CC1)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12 13583156 OGEPBWVHDWHFGF-UHFFFAOYSA-N 392.551 4.409 0 1 GIAF Cc1cn2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc2c(C)n1 13861647 ZBIOPWMVRURMTE-UHFFFAOYSA-N 395.459 4.223 0 1 GIAF Cc1nc2ccc(Cl)cn2c(=O)c1CCN1CCc2oc3ccccc3c2C1 27865233 GZFYZEHGCPEJAC-UHFFFAOYSA-N 393.874 4.003 0 1 GIAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCNC(=O)Nc3ccc(C)cc3)ccc21 28565799 CYAXXSZDGPTFBI-FPOVZHCZSA-N 396.487 4.336 0 1 GIAF CN1CCN(CCCCNc2cc(-c3ccc(F)cc3)nc3ccccc23)CC1 28642375 GYTNXIPUVHURRQ-UHFFFAOYSA-N 392.522 4.480 0 1 GIAF Fc1ccc(Sc2ncnc3c2ncn3[C@@H]2COc3ccccc3CO2)cc1 40861247 LLTWNFNFEVUVFK-KRWDZBQOSA-N 394.431 4.224 0 1 GIAF Fc1ccc(Cn2c(N3CCC(n4cccn4)CC3)nc3ccccc32)cc1 43066274 SDEZSIUXMXPOCO-UHFFFAOYSA-N 375.451 4.262 0 1 GIAF CCN1CCN(CCCCCCOc2ccc(CN(CC)CC)cc2)CC1 49037397 XZPGIQUZCJGMEY-UHFFFAOYSA-N 375.601 4.105 0 1 GIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCOc2c1cccc2N1CCCCC1 66077947 BWUZDTXKQFBCBM-GOSISDBHSA-N 391.475 4.199 0 1 GIAF O=S(=O)(Nc1ccc2cccnc2c1O)c1ccc(-c2ccccc2)cc1 66103264 MMPMIOYHRSNFRM-UHFFFAOYSA-N 376.437 4.408 0 1 GIAF COc1ccccc1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1F 66258571 CZSBRVBLBITUPK-LVSMMTLPSA-N 383.463 4.453 0 1 GIAF Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)NCC3CCCCC3)C(C)C)co2)cc1 82069983 BMRRXJIQJGAFQT-FQEVSTJZSA-N 397.519 4.101 0 1 GIAF CCCc1nc2c(NCc3ccc(F)cc3)ncnc2n1CC[C@@H]1CCCN1C 82185981 DSBYZRSSVQSYSU-SFHVURJKSA-N 396.514 4.014 0 1 GIAF C[C@H]1C[C@@H](O)[C@]2(C)[C@H](C)C(=O)CC[C@@H]2[C@@]1(C)COc1ccc2ccc(=O)oc2c1 86052705 XYUJBOZUFFMPGO-JFHCGGETSA-N 398.499 4.200 0 1 GIAF in-man Cc1ccccc1N1CCN(Cc2cccc(C(F)(F)F)c2Cl)C(=O)C1=O 95565569 SGGRCOILOJPPQP-UHFFFAOYSA-N 396.796 4.043 0 1 GIAF CNC(=O)Oc1ccc(OC/C=C/COc2ccc(C(F)(F)F)cc2)cc1 103214394 MKIVJWWOEWOGJQ-NSCUHMNNSA-N 381.350 4.438 0 1 GIAF FC(F)(F)c1cc(-c2nc3cc(Cl)ncc3[nH]2)c(Br)cn1 587114764 HDBWNIZKSBMJRQ-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)cc2N1 587127085 RFABIIFOWBHCLE-LHLIQPBNSA-N 390.291 4.148 0 1 GIAF CSc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144521 NUFZEHDGJDXJFY-CYBMUJFWSA-N 380.286 4.429 0 1 GIAF COC(=O)c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2n1 587152317 ZHWGUGVZLFCDED-SFHVURJKSA-N 395.365 4.191 0 1 GIAF N[C@H](N=O)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587159086 MGELSTQHYFXRSR-HXUWFJFHSA-N 386.390 4.432 0 1 GIAF C[C@@]1(c2ncc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332076 ILQDSGKEXMFQQO-GHTZIAJQSA-N 385.341 4.479 0 1 GIAF C[C@]1(c2cccc(O)c2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334637 JVAUHWOFYRGPNT-SIKLNZKXSA-N 379.387 4.093 0 1 GIAF CC(=O)OC[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346207 HYCXTDSYUSDOJS-SIKLNZKXSA-N 386.419 4.238 0 1 GIAF O=C1C[C@@H](c2ccc(I)o2)Oc2c1ccc1c2CCCC1 587508399 VNZVBFZGPPHZPN-HNNXBMFYSA-N 394.208 4.470 0 1 GIAF COc1nc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554390 XERHIXQRPQXRFL-APWZRJJASA-N 383.787 4.152 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]c3nccc-3cc2F)N1 587726829 LGUUKNGLXLGVHE-PWJLMRLQSA-N 378.220 4.179 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccncn2)N1 587778417 NAYDNWOYPWWVDO-RBZFPXEDSA-N 398.279 4.204 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3nnco3)cc2)N1 587796175 PLRKIZWPCYBUHM-QGHHPUGFSA-N 388.240 4.262 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(O)cc3C2)N1 587830485 CNUDPBAZEMDDEX-WLRWDXFRSA-N 376.269 4.212 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nsnc23)N1 587859651 YBEDYGXAAVMIGR-VXJOIVPMSA-N 378.270 4.217 0 1 GIAF CCOc1cc([C@@]2(C)c3c(ccc(OC)c3OC)C[C@H](C)N2C)ccc1OC 962621017 AYVBCEPWXZSNHZ-WNSKOXEYSA-N 385.504 4.251 0 1 GIAF CC[C@H](C)[C@]1(C(C)C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963148374 QAGJTWBZUSIBKB-PTAUBWNISA-N 382.526 4.287 0 1 GIAF C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccccc1)c1ccccc1 1772581751 LADAPKJTWXIYQL-SFHVURJKSA-N 384.483 4.290 0 1 GIAF CSc1ccc(C[C@]2(O)c3cc(Cl)c(Cl)cc3C3=NCCN32)cc1 1857540482 VFSBAFYNYUXLBD-SFHVURJKSA-N 379.312 4.179 0 1 GIAF CCn1c(=O)cc(C2CC2)c2cc(-n3c(-c4ccc(C)cc4)cn(C)c3=O)ccc21 1857550091 GQHCKUGXFIZXEK-UHFFFAOYSA-N 399.494 4.364 0 1 GIAF Fc1ccccc1Nc1nc2nonc2[nH]c1=Nc1ccc(C(F)(F)F)cc1 1857563356 WHINJNSDEFXMSG-UHFFFAOYSA-N 390.300 4.080 0 1 GIAF COc1ccc(-c2nc(Cl)cc(Nc3ccc(OCCN(C)C)cc3)n2)cc1 1857767719 VUJKMOXGZYRVLR-UHFFFAOYSA-N 398.894 4.490 0 1 GIAF CC(=O)OC[C@]12CC[C@H](OC(C)=O)C[C@@H]1CC[C@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]12 2356459599 SGEFHSHPYWPAKB-ALUMOEOXSA-N 390.520 4.073 0 1 GIAF O[C@H]1CN(CC2CCCCC2)[C@@H](c2ccccc2)C[C@@H]1n1cc(C2CC2)nn1 61923861 RPLSDUZTQXIMPH-VJBWXMMDSA-N 380.536 4.085 0 3 GIAF CC(=O)N(Cc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 756203 NDCXTIDCKTUGDY-FQEVSTJZSA-N 380.488 4.039 0 1 GIAF O=c1c(-c2ccc(Cl)cc2)nnc2n(Cc3ccccc3)c3ccccc3n12 1647483 JBEODJZFKWDKRZ-UHFFFAOYSA-N 386.842 4.413 0 1 GIAF CCCCNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OC 4207481 IQSONPCLZDUUSP-AZUAARDMSA-N 386.879 4.357 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCO 4212805 NQJIAXUNYXPWFV-GOTSBHOMSA-N 394.515 4.476 0 1 GIAF Cc1cnc(NC(=O)/C(=C/C2CCCC2)c2ccc(S(C)(=O)=O)cc2)s1 64540140 BKPACVDMVCTNRZ-GZTJUZNOSA-N 390.530 4.067 0 1 GIAF CCCCCCN1C[C@H]2[C@@H](C1)[C@]2(C)c1cccc(NS(=O)(=O)C(C)C)c1 102948642 DWOWQHRBEPAFKK-AERCQKQUSA-N 378.582 4.236 0 1 GIAF COc1ccc(-c2nn3c(COc4ccc(SC)cc4)nnc3s2)cc1 28708995 XHEAFXFCQSLIER-UHFFFAOYSA-N 384.486 4.162 0 1 GIAF CS(=O)(=O)c1ccc(-n2nc(-c3ccc(Cl)cc3)c3c2CCCC3)cc1 27706019 OEGAQBIDXGHOKS-UHFFFAOYSA-N 386.904 4.475 0 1 GIAF Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1 40951133 ZUOJFKLDYLRBKL-UHFFFAOYSA-N 375.453 4.140 0 1 GIAF O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1 95894129 ZHPMKBYOCIZHEW-SMIHKQSGSA-N 399.494 4.068 0 1 GIAF Cc1nn(C)c(Oc2ccccc2)c1C(=O)N1CCCC[C@H]1c1cccnc1 95589745 JPMIRJARZDDPJF-IBGZPJMESA-N 376.460 4.283 0 1 GIAF COc1cccc2c1CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587804595 BIHVDVIYQDMDEH-NSPYISDASA-N 376.269 4.321 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)c3ccccc32)N1 587771136 VRMZBBBCCFYKQX-HXPMCKFVSA-N 375.285 4.206 0 1 GIAF COc1cc(-c2nc3cc(C)c(Cl)cc3[nH]2)ccc1OCC(=O)NC(C)C 587220820 GPMFPOVEFDWJPV-UHFFFAOYSA-N 387.867 4.104 0 1 GIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC(C)=O 587522704 HEGVKRXRPGDTRA-IBGZPJMESA-N 396.439 4.214 0 1 GIAF Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1ccccc1 587580082 GYQPERLDGKGEBH-QPPBQGQZSA-N 398.418 4.496 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(Br)cnc4o1)[C@@H](C2)C3=O 587419114 WXGJXLJFCKRDJJ-YVEFUNNKSA-N 386.201 4.088 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H](C(=O)O)C2(C)C)N1 587831225 WNZBXFSZVLHJRV-FRGUTSHISA-N 384.289 4.085 0 1 GIAF O=C(O)/C=C/c1ccccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 586878305 CIBRAUVIFATTGV-AATRIKPKSA-N 379.160 4.368 0 1 GIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncnc2ccccc12 587655880 CSRJSAWCUIKWOE-UHFFFAOYSA-N 386.361 4.274 0 1 GIAF CC(C)CN1C(=O)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518994 SLFNFRLTITULOP-DEOSSOPVSA-N 375.468 4.429 0 1 GIAF Oc1cc(-c2ccccc2Cl)c(O)n1-c1nc(N2CCCCC2)ncc1F 587946194 RLDFMDRZPHXWCU-UHFFFAOYSA-N 388.830 4.128 0 1 GIAF COc1cc2c3c(c1)O[C@](c1cccnc1)(c1ccc(F)cc1F)[C@@H](C2)C3=O 587427774 VGXFSWOGPBCQKI-HTAPYJJXSA-N 379.362 4.060 0 1 GIAF COc1cc2c(cc1F)[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574097 YTLHYVNJRJMFIE-NZQKXSOJSA-N 392.382 4.343 0 1 GIAF O=C1C[C@@H](c2c(F)cccc2N2CCOCC2)Oc2c1ccc1c2CCCC1 587502403 DLOWDQCHZYIEBR-NRFANRHFSA-N 381.447 4.248 0 1 GIAF CC(C)Oc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589617 WCFKFQRQQYPLJO-GHTZIAJQSA-N 377.396 4.277 0 1 GIAF CCc1cc(OC)ccc1[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962691240 BTFROWWXZRXADL-ROUUACIJSA-N 397.368 4.104 0 1 GIAF Cc1ccccc1C[C@@]1(CO)CCCN(C(=O)c2cc(-c3ccccc3)no2)C1 13596660 AEBIUOGVKXTRFJ-DEOSSOPVSA-N 390.483 4.107 0 3 GIAF O=C(NC1CCC(CCN2CCN(c3ccccc3)CC2)CC1)c1cccs1 13778680 CEJURZXMIYUTSE-UHFFFAOYSA-N 397.588 4.249 0 1 GIAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@@H]4[C@@H]3CC[C@@H]12 169321995 NNVCQUGSNITOPM-OTTOILDPSA-N 388.596 4.381 0 1 GIAF COC(=O)c1cccc(NC(=O)NC2CCN(C/C3=C\CCCCCC3)CC2)c1 169362883 RXRCNBDAXTXFBE-LSCVHKIXSA-N 399.535 4.340 0 1 GIAF O=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 1857753524 CNMKKLGKUOVNHL-UHFFFAOYSA-N 399.498 4.484 0 1 GIAF CCc1c(C(=O)N[C@@H](CO)Cc2ccccc2)[nH]c2ccc(C(F)(F)F)cc12 1857763815 QNHQLBLUWHLFSC-OAHLLOKOSA-N 390.405 4.083 0 1 GIAF CCCn1c(-c2ccc(F)cc2)nc2c(NCC3CCN(C)CC3)nc(C)nc21 7991790 BGFYUJMBBZGUGR-UHFFFAOYSA-N 396.514 4.105 0 1 GIAF CCCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1 13525169 CUAONCDEYDRODA-UHFFFAOYSA-N 390.892 4.385 0 1 GIAF CC(C)C[C@H](CSc1ccc(Br)cc1)N1CCN(C)CCC1=O 13830689 ORKHBYZUQKDOHF-MRXNPFEDSA-N 399.398 4.120 0 1 GIAF C[C@H](c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccc([N+]#N)cc1 26499402 UAVZMUHWDQZXRS-OAHLLOKOSA-O 396.902 4.314 0 1 GIAF Cn1cc([C@H](C(=O)Nc2ccc3ccccc3c2)P(=O)(O)O)c2ccccc21 28604288 SZKMOUMPHADFFC-HXUWFJFHSA-N 394.367 4.189 0 1 GIAF Fc1ccc2[nH]cc(CCCN[C@H]3COc4c(ccc5ncccc45)C3)c2c1 28821565 QAFKQHROGWDLNJ-GOSISDBHSA-N 375.447 4.381 0 1 GIAF Cc1ccc(NC(=O)CSc2nnc(C)n2-c2ccc(F)cc2)c(Cl)c1 35002792 KFXAWRLFQWJVRG-UHFFFAOYSA-N 390.871 4.407 0 1 GIAF CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)COCc1ccccc1 35190763 JUVYQSSPPOIVNJ-UHFFFAOYSA-N 397.906 4.365 0 1 GIAF CCc1nn(Cc2ccccc2)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12 36242944 CYCNELSQCHFXPX-UHFFFAOYSA-N 395.466 4.025 0 1 GIAF CC(C)(C)OC(=O)c1cc2c(cn1)[nH]c1ccc(I)cc12 64527188 RQCRZVPWNJSJSP-UHFFFAOYSA-N 394.212 4.276 0 1 GIAF COc1cc2c(c(O)c1Cc1ccccc1O)C(=O)C[C@H](c1ccc(O)cc1)O2 71331901 SCYWNQTZQMNLGR-LJQANCHMSA-N 392.407 4.109 0 1 GIAF biogenic CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2ccc(F)cc2)n1 82140470 XTXWPIDYXAERSH-CALCHBBNSA-N 398.526 4.493 0 1 GIAF O=C1c2cnn(C3CCCCCC3)c2CCCN1[C@@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 101668620 WMVRFCCRSLJNEF-ZIGBDRAKSA-N 397.563 4.106 0 1 GIAF CNC(=O)c1ccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1 143267651 PFFMVESBLRFNBU-NRFANRHFSA-N 383.369 4.492 0 1 GIAF c1ccc(CN2C[C@@H]2COc2cccc3c[n+](Cc4ccccc4)ccc23)cc1 169329856 RVIXBLIWKFDYEZ-RIBGEGAISA-N 381.499 4.439 0 1 GIAF C=C(Br)C(=O)Nc1cccc(/C=C/C(=O)NCc2ccc(C)cc2)c1 169348575 JTXSXYLVFZZHOR-ZHACJKMWSA-N 399.288 4.172 0 1 GIAF Cc1nc(/C=C/[C@@H]2C/C=C/CCC[C@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O2)cs1 195341304 OAXHQZGPHDPLOS-HLLULHTPSA-N 391.533 4.099 0 1 GIAF COc1ccc2c(c1OC)[C@H](c1cc(Br)ccc1F)CC(=O)N2 219425177 NYFVHYVDNKTWQS-NSHDSACASA-N 380.213 4.080 0 1 GIAF S=C1Nc2c(oc3ncccc23)[C@H](c2cccc(OCc3cccnc3)c2)N1 299826476 PCPHCZCRTIQJOL-KRWDZBQOSA-N 388.452 4.191 0 1 GIAF COc1ccc(-c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)o2)cc1 299834200 KXTAZAIAWNTXFO-UHFFFAOYSA-N 393.439 4.171 0 1 GIAF O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccccc1Cl 299837026 OCTFFHBZTFAJDF-UHFFFAOYSA-N 389.842 4.356 0 1 GIAF CCOc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 473100605 IIBNQEGKVRTWPJ-OAHLLOKOSA-N 395.434 4.221 0 1 GIAF Cc1c(-c2nc3c(F)c(F)c(F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029331 MNCXMDOYEHPFTC-UHFFFAOYSA-N 376.363 4.130 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3cncc(Cl)c3[nH]2)[C@@H]1c1ccccc1Cl 587061198 LGBBKQVUFRKNSA-DIFFPNOSSA-N 375.259 4.342 0 1 GIAF Clc1ccc2c(c1)C[C@@H](c1nc3ccc(I)cc3[nH]1)O2 587080302 LXTWWCPGGUFUQZ-AWEZNQCLSA-N 396.615 4.497 0 1 GIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587114406 TTXQSFBLXLGEGW-SNVBAGLBSA-N 375.350 4.259 0 1 GIAF FC(F)(F)c1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cn1 587118768 OQPIFKDWWHWZAH-UHFFFAOYSA-N 375.276 4.118 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccnc4cc(Br)ccc14)[C@@H](C2)C3=O 587419010 RANOMKNHCKFNSU-YWZLYKJASA-N 396.240 4.495 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccncc21 587492970 YZYRPIPPUOLYRY-XMMPIXPASA-N 385.419 4.193 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Br 587543158 HWEYYTVXLOEJDR-CRAIPNDOSA-N 398.212 4.253 0 1 GIAF C[C@]1(C(=O)c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572983 UHYDBQMXXZGLNJ-GCJKJVERSA-N 378.355 4.135 0 1 GIAF CC(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587616042 YRXUHCYSAWNTEL-YLJYHZDGSA-N 381.409 4.115 0 1 GIAF Cc1cccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)c1 587648913 JHUXEPXPMWJZMW-UHFFFAOYSA-N 381.375 4.292 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2=COCC2)(C(F)(F)F)N1 587709339 LBSXKHLJSBIUEG-XLKFXECMSA-N 380.179 4.184 0 1 GIAF 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CC(=O)c1c[n+](Cc2ccccc2C)ccc1C[C@H]1Cc2cc(C)ccc2C1=O 1772644821 ZCRIJMJHFHJQDW-QHCPKHFHSA-N 384.499 4.440 0 1 GIAF Cc1ccc(Oc2cc3c(cn2)nc(COc2cccc(C(=O)O)c2)n3C)cc1 1857758330 QMSODTPQJKTFTH-UHFFFAOYSA-N 389.411 4.346 0 1 GIAF CC[C@@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H](CC(=O)OC)[C@](C)(CC(=O)OC)[C@H]3CC[C@@]12C 2356393773 SIZQRHSXXDKFNH-DJFJZVJVSA-N 392.536 4.177 0 1 GIAF CC1(C)CC[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@]2(C)[C@@H]3C(=CC[C@@H]12)CO[C@@H]3O 2356403803 VCKBZSACDFEBME-ALFMLFBKSA-N 398.499 4.055 0 1 GIAF COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)C[C@@H](C)[C@H](C)C2 2356519391 ZFLHWWNSAUWBLR-VXGBXAGGSA-N 384.428 4.199 0 1 GIAF CC(C)(C)OC(=O)N1CCc2onc(-c3ccc(Br)cc3)c2C1=O 61920904 IAHAPAOQVRUMOJ-UHFFFAOYSA-N 393.237 4.038 0 3 GIAF CC1CCC(CN2CCC(CN3C(=S)NC[C@@H]3Cc3ccccc3)CC2)CC1 61924323 SSCUHULPLTWPDA-IRSIHTCSSA-N 399.648 4.326 0 3 GIAF Cc1cnc(-c2nc3ccccc3n2[C@H](C(=O)NC(C)(C)C)c2ccccc2)cn1 95568582 QABRXPCEKHZNKG-NRFANRHFSA-N 399.498 4.306 0 3 GIAF CCOc1cc2nc(=S)n(CCN3CCCC[C@@H]3C)c(O)c2cc1OCC 253530869 KHSHAAPXVXDUPN-AWEZNQCLSA-N 391.537 4.143 0 3 GIAF CC(=O)N(Cc1ccccc1)[C@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 763119 RILPRIQNRXRHOS-NRFANRHFSA-N 392.499 4.361 0 1 GIAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nc(O)c32)cc1OC 103954172 JJEOJCVQBMDLEO-HNNXBMFYSA-N 399.472 4.135 0 1 GIAF C1=C([C@H](c2nnnn2C2CCCCC2)N2CCCCC2)COc2ccccc21 57613746 AFGGQOIKESIMPW-OAQYLSRUSA-N 379.508 4.181 0 3 GIAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@@H](C)NCc1ccccc1 114100733 CPONKKBYJGICCK-LJQANCHMSA-N 396.531 4.011 0 1 GIAF CCN(CC)[C@@H](C)c1cccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 28340143 YSIMPMRBLCPSEO-NYHFZMIOSA-N 383.488 4.293 0 1 GIAF O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N(Cc2ccccc2)c2ccccc21 29133479 YEQKJKZQLXZDFA-QFIPXVFZSA-N 395.462 4.056 0 1 GIAF CC(=O)c1ccc(N2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)cc1 26899561 NQGQHDCXPXKBBE-UHFFFAOYSA-N 379.435 4.006 0 1 GIAF CC=C(C)C(=O)OC=CCc1cc(OC)c(OC(=O)[C@H](C)CC)c(OC)c1 2356530644 PGKIVNNPCDKGEQ-OAHLLOKOSA-N 376.449 4.221 0 1 GIAF CN(C)CCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 38411528 KSXGYXRHMMQMJD-OAQYLSRUSA-N 377.536 4.179 0 1 GIAF CN1C(=O)[C@H](CN2CCCCC2)C[C@H]1c1cnc(-c2ccccc2Cl)s1 35932083 BYRXTRIVTYAFPL-YOEHRIQHSA-N 389.952 4.469 0 1 GIAF C=C1CCCC(C)(C)[C@@H]2CC[C@](C)(C3=COC[C@@H]3[C@H](OC(C)=O)C(=O)OC)[C@@H]12 14697193 VNQGYNWFBJULMG-DRZZBXNQSA-N 390.520 4.420 0 1 GIAF biogenic CCCN(CCC)C(=O)c1c(C)nc2n1CCC(=O)N2c1c(C)cc(C)cc1C 49053575 ZMCQOEJYVAWCDH-UHFFFAOYSA-N 396.535 4.447 0 1 GIAF CC(=O)O[C@H]1O[C@@H]2OC(=O)C[C@@H]2[C@@H]1[C@]1(C)CC[C@@H]2C(C)(C)CCC[C@@]23C[C@@H]13 238749705 BYXHBZMLQCONFJ-KNRDSRBJSA-N 376.493 4.044 0 1 GIAF CC[C@](O)(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ncnc(N)c23)cc1 96168377 CWZGGFCIDUGSFC-DEOSSOPVSA-N 399.498 4.287 0 1 GIAF Cc1ncc(C)c(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)n1 653634441 CNHZQWRCJQVKTD-AWEZNQCLSA-N 389.455 4.153 0 1 GIAF O=C(/C=C\c1ccccc1)N1N=C(c2ccncc2)O[C@@H]1c1c[nH]c2ccccc12 653720624 NJJVKCRTCMPQCH-AGXIJRPPSA-N 394.434 4.496 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1 653717442 HCEYSZYRKLLAQJ-UHFFFAOYSA-N 385.466 4.124 0 1 GIAF COc1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 587019856 XXWSDJRCSOSUQV-UHFFFAOYSA-N 379.445 4.263 0 1 GIAF Cn1cc2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2n1 587581460 LGRDOJNLSSGGJM-OFNKIYASSA-N 386.407 4.156 0 1 GIAF O=C(COc1ccccc1-c1nc2cc(Cl)ncc2[nH]1)Nc1ccccc1F 587154486 QEBNHYKWORKKQA-UHFFFAOYSA-N 396.809 4.435 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]3[C@H]1CCN3C(=O)OC(C)(C)C)O2 587402372 ZPYSRWLOFHUJBA-ZWWNWMABSA-N 386.492 4.091 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@H](c3ccco3)C2)N1 587828405 NCNAWBXLFGCAJS-RGIROJJOSA-N 392.268 4.448 0 1 GIAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(C(=O)O)cc4[nH]3)ccc12 586917766 GBVZWJRGDDGDCY-UHFFFAOYSA-N 392.411 4.289 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3c(F)cccc32)N1 587738813 QVCHTMCKVJVAGY-MLCYQJTMSA-N 379.248 4.321 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccccc3OC2)N1 587835868 RBYQJKYIDQZJSX-BUXKBTBVSA-N 376.269 4.343 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCN(Cc4ccccc4)CC1(C)C)[C@@H](C2)C3=O 587435245 DYFQOBQKJHCWMM-CYFREDJKSA-N 377.484 4.114 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)c[nH]c3nccc2-3)N1 587729918 IFHHYGXBUWFRIN-NIVTXAMTSA-N 392.247 4.353 0 1 GIAF O=C1c2ccc(O)cc2O[C@@](Cc2cccs2)(C(=O)O)[C@H]1c1ccc(F)cc1 587371704 CWASKXGJRIICHQ-GHTZIAJQSA-N 398.411 4.018 0 1 GIAF CCCOc1cc2nc(C(C)(C)SCC(=O)O)[nH]c2cc1Br 586959695 PHCINWUOGGWBQP-UHFFFAOYSA-N 387.299 4.167 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3c(C)ccnc3[nH]1)N2 587030574 FYRGWUOLSPEHDC-HBZGRHIISA-N 385.518 4.393 0 1 GIAF Brc1cc2c(cc1/C=C\c1nc3cc4cn[nH]c4cc3[nH]1)OCO2 586998779 ODWHOTRLYDBMLD-UPHRSURJSA-N 383.205 4.101 0 1 GIAF O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc2O1 587354782 BDOFFVXKNOGHPV-GMAHTHKFSA-N 390.366 4.095 0 1 GIAF OCCc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586976529 GHJJAVBVPNTWAC-UHFFFAOYSA-N 381.657 4.093 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-n3ccnc3)c2)N1 587757459 VRZNETJROQUMBV-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF C/C=C/CC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590622 CTZDCJFCXAGFCF-TUNLBVKRSA-N 382.412 4.012 0 1 GIAF COC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587827812 LEFRXIDEMDQJPP-DYBLOJMWSA-N 396.256 4.074 0 1 GIAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587011576 ILJXJBZTWPCSPR-UHFFFAOYSA-N 393.863 4.291 0 1 GIAF COC(=O)c1cc2nc(C3CCC(N)CC3)[nH]c2c(F)c1Nc1ccccc1 587256895 UBQDAHGAPHVAMZ-UHFFFAOYSA-N 382.439 4.217 0 1 GIAF Clc1ccccc1-c1nc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)co1 587060824 NLQXFAZQPMFGPP-UHFFFAOYSA-N 394.862 4.371 0 1 GIAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 914431224 MENQCIVHHONJLU-ACEYYGGSSA-N 398.565 4.422 0 1 GIAF CN1C(=O)C[C@H]2CN[C@@](c3ccc(F)cc3Cl)(C(F)(F)F)c3cccc1c32 963040002 ZWCZDJQKOFGIFO-XTZNXHDOSA-N 398.787 4.338 0 1 GIAF COCCCN1CCc2ccc(OC)cc2[C@@H]1c1ccc(-n2ccnc2)c(F)c1 961318042 FGLPHTBQVUZPQK-QHCPKHFHSA-N 395.478 4.004 0 1 GIAF CC(=O)Oc1ccc(Br)c([C@H]2NCCc3ccc(F)c(C)c32)c1 962303960 YTBZDHCABKEULK-GOSISDBHSA-N 378.241 4.057 0 1 GIAF COc1ccc2c(c1OC)[C@](Cc1ncccc1C)(C(F)(F)F)N(C)[C@@H](C)C2 962560537 CQVAQDPAVMJHRG-VBKZILBWSA-N 394.437 4.284 0 1 GIAF CCOP(=O)(CCC(=O)N(Cc1ccccc1)c1ccccn1)OCC 1772569716 CWSVQLGMSHNKCN-UHFFFAOYSA-N 376.393 4.271 0 1 GIAF CC(C)=CCC[C@H](C)CN1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1 12714488 ACTZNLVSJNXYJN-NRFANRHFSA-N 389.628 4.168 0 3 GIAF CNc1nc(Nc2ccc(-c3cnco3)c(OC)c2)nc(-c2ccccc2C)n1 13445183 RLPAQDZBCCRCRR-UHFFFAOYSA-N 388.431 4.296 0 1 GIAF Cc1noc2c1C(=O)C[C@H](CN1CCC(c3c[nH]c4cc(F)ccc34)CC1)C2 169322309 GLBUSOXIXYZDKN-AWEZNQCLSA-N 381.451 4.228 0 1 GIAF O=C(N[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1)c1ccccc1Cl 169322516 PHTWUOCMAGLKNE-VLIAUNLRSA-N 379.891 4.313 0 1 GIAF O=c1cc(-c2ccccc2)oc2ccc(OCCCCN3CCC(O)CC3)cc12 12356285 GUFWLMZMZSIYHJ-UHFFFAOYSA-N 393.483 4.076 0 1 GIAF CC(C)[C@H]1C(=O)N2C(C(=O)OCc3ccccc3)=C(c3ccccc3)S[C@H]12 26377213 QISYIUCLWWOGGY-LAUBAEHRSA-N 379.481 4.286 0 1 GIAF O=S(=O)(NCCCCCCCCc1c[nH]cn1)c1ccc2ccccc2c1 29490010 RBCVLJAJDFYFGI-UHFFFAOYSA-N 385.533 4.425 0 1 GIAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4F)cc3)nc2c1 64526528 UMTHYZRGNSKLPP-UHFFFAOYSA-N 395.459 4.286 0 1 GIAF COc1ccccc1Nc1c(C(N)=O)cnc2cc(-c3c(C)noc3C)ccc12 84596975 AAGMEVHCYCZNLO-UHFFFAOYSA-N 388.427 4.358 0 1 GIAF CCc1cc(Nc2nccc(-c3ccccn3)n2)cc2cc(C(=O)N(C)C)[nH]c12 145333678 CHCKEWILXMMPDV-UHFFFAOYSA-N 386.459 4.028 0 1 GIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cccc(-n2cccn2)c1 167275318 DWOODTIOFBPZLY-LJQANCHMSA-N 391.471 4.143 0 1 GIAF COCCN1CCC[C@H](c2cc3c(-c4cc(F)ccc4OC)ccnc3[nH]2)C1 226066533 SYQVFVMDZQBOEU-HNNXBMFYSA-N 383.467 4.203 0 1 GIAF CCOc1cccc([C@]2(N3CCN(c4ccccc4N)CC3)[C@H]3C[C@H](C)C[C@H]32)c1 261158743 QJXIPVWSPUFINC-YNKZSDBMSA-N 391.559 4.361 0 1 GIAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)c(F)cc2[nH]1 586939970 YNDQZLKMLBAPLP-MRXNPFEDSA-N 399.850 4.170 0 1 GIAF COC(=O)c1cc2[nH]c(CCCOc3ccc(Cl)cc3C)nc2cc1OC 587066866 TZEJCURBNIJGJU-UHFFFAOYSA-N 388.851 4.332 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1c(C)[nH]c3ccccc3c1=O)O2 587395905 VWGQNXWQNSZDFD-HSZRJFAPSA-N 376.456 4.084 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CCC[C@H](C1)N3C(=O)OC(C)(C)C)O2 587397526 BPMMZRRXEPXOID-YEZVWNJWSA-N 386.492 4.233 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](CCc1cccc(CC(=O)OCC)c1)CC2=O 587477638 DKOXJIXOSULUBP-GOSISDBHSA-N 396.483 4.417 0 1 GIAF COc1nccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548849 YEFFDRJROXWUBQ-QFBILLFUSA-N 383.787 4.152 0 1 GIAF COc1ccc2c(c1)NCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595081 MNPBWWMAFMXXTI-REWPJTCUSA-N 389.407 4.074 0 1 GIAF CCc1nn(C)c(CC)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587753592 BFUGSHPGRLZMMD-YPMLDQLKSA-N 380.305 4.070 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2cccnc2)N1 587774019 KYVTUSQRHBGIFE-ADLMAVQZSA-N 377.257 4.006 0 1 GIAF CCOC(=O)C1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CCCC1 587792228 BAZVPJAZMWQVCJ-KZULUSFZSA-N 398.316 4.461 0 1 GIAF COC(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587846812 IFTFFDXISKQSPE-HUTHGQBESA-N 398.297 4.234 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc3c(s2)CCC3)N1 587857932 NMMNGJUTULQWBD-XLFHBGCDSA-N 381.314 4.331 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2ccsc2)(c2ccc(F)cc2F)N1 962892604 DFDFVSXVGPNREQ-PXNSSMCTSA-N 389.398 4.056 0 1 GIAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2ccccn2)(C2CC2)N1 963177617 DHDQMNMVAKSSIC-SCLBCKFNSA-N 396.796 4.006 0 1 GIAF COc1cccc(-c2cnc3c(NC=O)cc(-c4ccc(N(C)C)cc4)cn23)c1 61906609 CHXRYANFJZSYEU-UHFFFAOYSA-N 386.455 4.311 0 3 GIAF COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)c2ccccc2)c1C 628440 RYLQZQIWNKAVGJ-UHFFFAOYSA-N 379.437 4.326 0 3 GIAF aggregator Cc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccc(F)cc2)cc1 2724730 CEUMUPUURKHUQJ-QFIPXVFZSA-N 392.405 4.457 0 3 GIAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 4215782 OJDDWOUTTXHPHK-QZHFEQFPSA-N 380.554 4.285 0 1 GIAF CC=C(C)C(=O)O[C@]1(C)C(=O)C[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](OC(C)=O)CC=C(C)[C@H]21 2356544326 LCPAXKXEUBDQBL-RIIRBUSZSA-N 388.504 4.158 0 1 GIAF CN[C@@H](Cc1ccccc1)[C@@H]1c2[nH]c3ccc(Br)cc3c2CCN1C 2356797902 OPHNYAFRPVFBDE-PZJWPPBQSA-N 398.348 4.290 0 1 GIAF COCc1cccc(-c2csc([C@H](NC(C)=O)c3ccc(F)c(F)c3)n2)c1 61904926 OISQBOFITODOOZ-LJQANCHMSA-N 388.439 4.460 0 3 GIAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2Cl)C(=O)[C@@]31C 2111601 CUSCWRPTJPUFFN-OAQYLSRUSA-N 395.846 4.070 0 1 GIAF biogenic NC1=N[C@](c2ccccc2)(c2cccc(Cc3ccc(F)cc3)c2)C2=NCCCN12 35794563 HNKINZGWDMPNGM-RUZDIDTESA-N 398.485 4.093 0 1 GIAF CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(C)CC2)cc1 45284211 CBAXBKFTFAZJRB-UHFFFAOYSA-N 381.520 4.107 0 1 GIAF CCCC(=O)Nc1cccc(N(C)C(=O)c2ccccc2Br)c1 84668754 RHJDDSOFWLTLKX-UHFFFAOYSA-N 375.266 4.464 0 1 GIAF CCN(CC)CCOc1ccc(/C=C2\CCn3c2nc2ccccc2c3=O)cc1 40379771 JYXQZWJZHPOXSH-HTXNQAPBSA-N 389.499 4.061 0 1 GIAF CCc1ccccc1[C@@H]1CC(c2cccc(Br)c2)=NN1C(N)=S 40828513 USWRZWKFRUXAHL-KRWDZBQOSA-N 388.334 4.406 0 1 GIAF Cc1scc(C(=O)N[C@H](c2ccccn2)C2CC(O)C2)c1-c1ccccc1 230554207 XCPZOJRUROBNRZ-BPZDKFOGSA-N 378.497 4.361 0 1 GIAF O=C(CSc1nncnc1-c1ccccc1Cl)N1CCCc2ccccc21 95560129 MVOSVAOPSBEDDE-UHFFFAOYSA-N 396.903 4.264 0 1 GIAF C/C=C/COc1ccc(C(=O)Cc2cccc([C@]3(C)CCSC(N)=N3)c2)nc1 96172032 VMQOQMHMMJYGOO-SIAOZKNOSA-N 395.528 4.129 0 1 GIAF Nc1ccc(-c2ccc3nc(/C=C\C(=O)Nc4ccc(F)cc4)[nH]c3c2)cc1N 587167166 OHDCKXXSXJYVPI-KTKRTIGZSA-N 387.418 4.185 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C[C@@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587798947 QFWIPHVPOFESLN-QULAYQROSA-N 398.316 4.317 0 1 GIAF COc1ccc2c(c1)NCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595075 MNPBWWMAFMXXTI-NFBKMPQASA-N 389.407 4.074 0 1 GIAF CCC(=O)OC1=C(C)OC=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587829745 CERBZARLSQFTCS-XTZNXHDOSA-N 396.256 4.046 0 1 GIAF CCc1nn(C)c(CC)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587758591 QXNBGZDQQSPWOO-MGNBDDOMSA-N 380.305 4.070 0 1 GIAF COC(=O)c1cc2[nH]c(-c3cc(F)c(C)cc3Br)nc2cc1OC 587137929 SMLNRTIKHARHPZ-UHFFFAOYSA-N 393.212 4.235 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ncccc3C2)[C@@H]1c1ccc(F)cc1 587350057 WOORBFLUXPJLDB-FYYLOGMGSA-N 375.399 4.213 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc(F)ccc32)N1 587731128 KNCLBWCXWUNBOK-MLCYQJTMSA-N 380.232 4.288 0 1 GIAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587808860 QZKCYYDMBWKZHI-XTZNXHDOSA-N 380.257 4.229 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccccc3OC)c1)CC2=O 587475724 OGMCBVVZVUTLKC-NRFANRHFSA-N 378.428 4.246 0 1 GIAF CN(C)Cc1csc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587612298 JBMDZMFPFUHCMQ-SIKLNZKXSA-N 395.480 4.392 0 1 GIAF COC(=O)c1ccnc2[nH]c(-c3sc(-c4ccccc4)nc3C(F)F)nc12 587128921 TZMCWTBYWCTHEG-UHFFFAOYSA-N 386.383 4.473 0 1 GIAF CCCOc1cc2c(cc1[C@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)O[C@@H](C)C2 587455107 ITWBWGVKNGRZBD-QHLKIINSSA-N 380.440 4.296 0 1 GIAF CC[C@@]1(c2ccc(O)c(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594622 OZGFJNLTVWCUTB-REWPJTCUSA-N 392.407 4.374 0 1 GIAF CCS(=O)(=O)c1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2c1 586975737 FGCVRJWRELIIND-UHFFFAOYSA-N 393.306 4.018 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)[nH]1 587548142 SGAPLVZMRALAOP-YJBOKZPZSA-N 386.201 4.186 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cn1 587547163 PVEZYLZXIHPMIS-VQIMIIECSA-N 398.212 4.253 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C[C@H]2CCCCC23OCCO3)N1 587840493 YCIVHFOODKLKOI-XPKDYRNWSA-N 398.316 4.487 0 1 GIAF C[C@H](NC(=O)OC(C)(C)C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587751183 WUCRKPCVTLEGHG-FTGAXOIBSA-N 387.293 4.077 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1C[C@@H]1c1ccccc1 587868901 WSUOICUQEMZZAP-CABCVRRESA-N 387.361 4.416 0 1 GIAF Fc1cc(-c2nc3cc(Br)cc(F)c3[nH]2)cc(N2CCCC2)n1 587177420 IMSBJPARQNDXRY-UHFFFAOYSA-N 379.208 4.266 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)c3ccccc3C)CC1)CC2=O 587475136 JOXUJAMOWVJEBU-UHFFFAOYSA-N 393.483 4.293 0 1 GIAF C[C@@]1(c2sc(=N)[nH]c2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587506688 LCEPWMKYQIZRCR-KRWDZBQOSA-N 382.407 4.334 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1ncccc1-c1cccnc12 587779791 WAXDRSFNVQMJCF-LLVKDONJSA-N 396.263 4.185 0 1 GIAF Cc1cc2c(cc1F)[C@@](C)(c1sc3c(c1C)C(=O)N/C(=C/Cl)N3)NCC2 962144411 KOTWZIOLQGCDRK-HTJTXACHSA-N 391.899 4.106 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cccnc1NC(=O)OC(C)(C)C 963270885 RSLFEHCRCJPWQK-QGZVFWFLSA-N 389.883 4.326 0 1 GIAF COc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(C)c2)cc1OC(C)C 116229616 NYELPSPJJUSESF-UHFFFAOYSA-N 377.824 4.395 0 1 GIAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC(F)C1 1772574442 KNBPVYBCUKTPKI-UHFFFAOYSA-N 391.324 4.235 0 1 GIAF NC(=O)C1CCN(Cc2c(CC3CCCCC3)[nH]c3ccnc(Cl)c23)CC1 1772614723 KNQRJUZZUIRVCZ-UHFFFAOYSA-N 388.943 4.036 0 1 GIAF O=C(O)CSc1c2c(nc3cc(C(=O)NC4CCCCCC4)ccc13)CCC2 5035124 ZDMLORXBEHDDGG-UHFFFAOYSA-N 398.528 4.353 0 1 GIAF CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C1(O)CCCCC1)/C=C/C=C3CO 169296449 JDSAJKMBHSVGSW-SUOHOHBTSA-N 386.532 4.177 0 1 GIAF O=C(N[C@@H]1CC=C(c2c[nH]c(=O)c3ccccc23)CC1)N1Cc2ccccc2C1 165748407 OFTHZLBEYYOKDW-LJQANCHMSA-N 385.467 4.189 0 1 GIAF CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@@H](O)CC)cc1 773514 XHOHEDYSQUMEIW-KRWDZBQOSA-N 398.434 4.047 0 1 GIAF Brc1ccc(Nc2ncnc3c2ncn3Cc2ccccc2)cc1 53314177 LGBRLFNQMISESG-UHFFFAOYSA-N 380.249 4.381 0 1 GIAF Cc1ccc2nc(C[C@H]3CN(Cc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302773 ZWWAMXXDTGRULW-MOPGFXCFSA-N 377.488 4.027 0 1 GIAF O=C(NC1CCCCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccc(F)cc2)cc1 100107913 KKQZKEDHPFGRLM-JKHIJQBDSA-N 393.506 4.275 0 1 GIAF O=C(NCc1cccs1)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 103584890 LOMQHRXYOPSXSN-UHFFFAOYSA-N 380.498 4.193 0 1 GIAF Cc1c(-c2cn(C(C)C)c(=O)c3c2CCCC3)c2cc(F)ccc2n1CC(=O)O 117015794 PJZWXMYBIRCOKM-UHFFFAOYSA-N 396.462 4.462 0 1 GIAF Cc1cc(C)nc(N2C[C@H]3CCN(C(=O)c4ccccc4-c4ccccc4)C[C@H]32)n1 116828664 MZDGWJKFCYEWNJ-NFBKMPQASA-N 398.510 4.111 0 1 GIAF CCc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(OC)cc3)n2C)cc1 29124633 QMCOGQVZNPRSFC-LNVKXUELSA-N 381.501 4.071 0 1 GIAF COc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 29471522 HDZBESGTKUCGOC-UHFFFAOYSA-N 387.911 4.090 0 1 GIAF CCCCN(C=O)c1c(CC)nc2c(OCCOc3ccc(F)cc3)cccn12 61902467 GMRDPSVBBKLOMN-UHFFFAOYSA-N 399.466 4.257 0 3 GIAF Cc1cccc(N2CCN(c3cc(Sc4ccccc4)nc(N)n3)CC2)c1C 33793998 FZSUWUIXPVERRD-UHFFFAOYSA-N 391.544 4.153 0 1 GIAF O=C(NC1CCCCC1)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 15968167 HXVRWQIBTABCIW-GGAORHGYSA-N 399.494 4.087 0 1 GIAF biogenic COC(=O)c1ccc2[nH]c(C3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 40949503 ADTCNFSULLSHQL-UHFFFAOYSA-N 376.412 4.073 0 1 GIAF NCCCCN1CCCNCCCCCCC(=O)CCCCCCCCC1=O 14516568 NEJPUSYTUHUCJN-UHFFFAOYSA-N 395.632 4.188 0 1 GIAF biogenic COc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1OC 45289333 OYXKKTJMBBRJMX-UHFFFAOYSA-N 387.435 4.290 0 1 GIAF C[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCCC1=CCCCC1 82083141 PZLBMZNKTIQSAC-OAHLLOKOSA-N 398.532 4.012 0 1 GIAF CS(=O)(=O)c1cccc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1 146996212 RCAPVAFENYNOHS-UHFFFAOYSA-N 388.452 4.177 0 1 GIAF C[C@@H](Oc1cc(-c2ccc3ncccc3c2)cc2ncccc12)[C@H]1CNC(=O)C1 146141159 VVFZKWRNJPYNAF-DNVCBOLYSA-N 383.451 4.353 0 1 GIAF COc1ccc(-c2csc(C3=C(C)NC(=O)N[C@@H]3c3cccc(O)c3)n2)cc1 145393619 GNAYHLKZGRHQQQ-LJQANCHMSA-N 393.468 4.309 0 1 GIAF CCCCCOc1c(OC)ccc2c1CCN(CCc1ccc(O)cc1)C2=O 146813149 HXCHKKDMCJKNLG-UHFFFAOYSA-N 383.488 4.211 0 1 GIAF COc1cc(-c2nc(-c3c[nH]c4ccccc34)c(C)nc2O)cc(OC)c1OC 299839529 SKOHQMIWMJGAEO-UHFFFAOYSA-N 391.427 4.332 0 1 GIAF COC(=O)c1csc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587850338 YOQDNOSIMPBWNI-XLFHBGCDSA-N 398.297 4.234 0 1 GIAF O=C1CCc2cc3nc([C@@H]4CCCN4Cc4ccc(Cl)cc4)[nH]c3cc2N1 587075837 KNVLKKJAOBBORR-IBGZPJMESA-N 380.879 4.438 0 1 GIAF COc1ccc(C)cc1NCCCc1nc2ccc(Br)c(O)c2[nH]1 587227953 DPXJEGVUWQUMQF-UHFFFAOYSA-N 390.281 4.393 0 1 GIAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587085165 MKOXSVOTQGMEOO-UHFFFAOYSA-N 392.846 4.446 0 1 GIAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587202797 HPNVITWECSDUTI-UHFFFAOYSA-N 389.818 4.267 0 1 GIAF COc1cc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587597505 ZBSFTKVSGUSDSN-REWPJTCUSA-N 392.407 4.069 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)o1 587546554 WQRBDLDZSSBHKO-CRAIPNDOSA-N 387.185 4.451 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc3c2OCOC3)N1 587734054 QDDACIZYRJSMNQ-VVVCHXIZSA-N 396.231 4.217 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2CCC3(CC2)OCCO3)N1 587837567 IPTXXFKVDPCUFX-MLGOLLRUSA-N 398.316 4.487 0 1 GIAF COC(=O)C[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587805609 IAHKBZXXVPVOKA-YNKQFZHNSA-N 384.289 4.071 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(N)cccc21 587468049 AFOKKNWLLVKVOO-VWLOTQADSA-N 399.446 4.380 0 1 GIAF CN(C)c1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569219 FXHWJHXQMBSDIP-REWPJTCUSA-N 375.424 4.335 0 1 GIAF CCOC(=O)Cc1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2c1 586975424 CKIMIEGNSXTCGO-UHFFFAOYSA-N 387.277 4.330 0 1 GIAF Cc1cc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)no1 587580845 ZPEJOCKKEROBRO-DENIHFKCSA-N 388.379 4.182 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncccc1-c1nc(C2CC2)no1 587871466 IEPOYAUKPGKAPP-UHFFFAOYSA-N 391.406 4.400 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)cccc1N(C)C)O2 587378297 UCVTXIMYXUDLDE-INIZCTEOSA-N 375.266 4.112 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CCCC(=O)CC3)nc2c1 586884647 RCCQBSHRLVXESA-SNVBAGLBSA-N 379.254 4.119 0 1 GIAF CC(=O)Oc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587813720 WSMRXXIDRRYGOY-MLCYQJTMSA-N 378.241 4.137 0 1 GIAF FC(F)(F)Oc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587040313 GZPJMWMYIPXCGR-HZPDHXFCSA-N 379.407 4.408 0 1 GIAF COc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1Br 587872897 SIJBRDMJVUQFEW-UHFFFAOYSA-N 389.180 4.255 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c1cnn3[C@H]1CCCCO1)O2 587389991 FAYZUXPCFJDNBI-NHCUHLMSSA-N 377.444 4.333 0 1 GIAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4C[C@H]5C=C[C@@H]4C5)[nH]c3c2)cc1 587967360 NTJZHDONMRCUML-PMUMKWKESA-N 395.484 4.052 0 1 GIAF CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(N)cc2O1 587746823 OHJLLBSASDGISO-APBUJDDRSA-N 389.268 4.244 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@H](c2c(F)cc(F)cc2Cl)N1)C(F)(F)F 962728230 DANMPIDRTYGODP-DZGCQCFKSA-N 375.724 4.353 0 1 GIAF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(-c4cccc(F)c4F)o3)c3cccc1c32 963036600 XUDAFUNHFOPEPX-AMXDTQDGSA-N 380.394 4.368 0 1 GIAF CCC[C@]1(CCC(C)=O)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963178390 JRMNHZYSVHTIBJ-DOTOQJQBSA-N 391.817 4.322 0 1 GIAF CCC[C@]1(C(=O)OC)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961779769 HVNXIDWDLBDGNI-JOCHJYFZSA-N 388.508 4.006 0 1 GIAF CCc1ccccc1[C@]1(c2ccccc2OC)NCCc2nc3ccccn3c21 962984821 NXJSFYSLMCRYHB-RUZDIDTESA-N 383.495 4.343 0 1 GIAF C[C@H](COCc1ccccc1)[C@H]1N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962704877 DQKBZVIYDKYYQJ-NIKGAXFTSA-N 377.406 4.226 0 1 GIAF C[C@H](c1cccc(Cl)c1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1cccnc1 1772590138 SPOAJSVUIFJJSO-FOIQADDNSA-N 393.874 4.165 0 1 GIAF C[C@H]1CN(C[C@@H](O)COc2cccc(CNC3CCCC3)c2)Cc2ccccc21 1772580863 NLFFHISKVLNNGK-WMZHIEFXSA-N 394.559 4.078 0 1 GIAF CC(=O)[C@@H](CCCCCCC(=O)O)CCC[C@H](O)COc1ccc(F)cc1 169316932 YXEJLBHGDXMBNT-HKUYNNGSSA-N 382.472 4.366 0 1 GIAF CCOC(=O)N1c2ccccc2N([C@H](Cc2ccccc2)C(=O)OC)C[C@@H]1CC 169362639 FLCQLSGXRGOKDJ-GHTZIAJQSA-N 396.487 4.032 0 1 GIAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H]1CCCC[C@H]1O 775484 RLXLABMXFXLVQQ-HZPDHXFCSA-N 386.492 4.071 0 1 GIAF CCc1ccc([C@H]2C[C@@H](c3cc(OC)c(OC)c(OC)c3)n3ncnc3N2)cc1 2915478 DBFVIQYAXSKETO-MSOLQXFVSA-N 394.475 4.013 0 1 GIAF CC1(C)COC(c2c(-c3ccccc3)noc2C[S@@](=O)c2ccccc2)=N1 5741552 YJIQVCOGDCQHOW-MHZLTWQESA-N 380.469 4.205 0 1 GIAF CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@H]([C@@H](C(C)=O)C(=O)OC)O1 7992232 JDTQVVQXMHVUQK-NHCUHLMSSA-N 390.476 4.465 0 1 GIAF C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2ccc(O)cc2)cc1 12918353 QHQZLLNWULXNRK-GCKMJXCFSA-N 381.472 4.299 0 1 GIAF O=S(=O)(Nc1ccncc1Oc1ccc(Cl)cc1Cl)C(F)(F)F 13586688 KJCDNRSCHQWHKE-UHFFFAOYSA-N 387.166 4.442 0 1 GIAF Cc1nc2cc(C(C)C)c(-c3ccc(Cl)c(OCC(=O)O)c3)cc2c(=O)[nH]1 13679434 CZGRHESPSHXNFQ-UHFFFAOYSA-N 386.835 4.139 0 1 GIAF CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](O)C(C)C 13974089 CCMLBTWPLDKEBS-HKUYNNGSSA-N 396.539 4.227 0 1 GIAF CN(CC[C@@H]1CN(C)C(=S)c2cccnc2O1)Cc1ccc(C(C)(C)C)cc1 26279610 XJBVHMJFSVNXIB-LJQANCHMSA-N 397.588 4.270 0 1 GIAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1nnc(C2CC2)s1 26670378 AFBGBORDJVRQJT-UHFFFAOYSA-N 380.495 4.205 0 1 GIAF O=C(c1c(F)cccc1F)N1CCc2c(cnn2-c2ccc(F)cc2Cl)C1 28708535 FKNKJXZKATYROQ-UHFFFAOYSA-N 391.780 4.142 0 1 GIAF Brc1ccc([C@H]2CO[C@](Cn3ccnc3)(c3ccccc3)O2)cc1 28768657 PKKSVUFZENJNBX-MOPGFXCFSA-N 385.261 4.287 0 1 GIAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@H](CO)C(C)C)c2)[nH]1 40936069 NIDKGCPDHANJIH-MRXNPFEDSA-N 386.496 4.429 0 1 GIAF FCCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 58581033 YVFOUXAUJUJYKV-UHFFFAOYSA-N 382.479 4.489 0 1 GIAF Clc1cc(-c2ccc(CNCCCN3CCOCC3)cc2)nc2ccccc12 64516793 ICDJQQMVCTVASB-UHFFFAOYSA-N 395.934 4.367 0 1 GIAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3)n2)C1 82133295 UMNPDHOAWGOMDN-HDICACEKSA-N 378.520 4.252 0 1 GIAF CCCSc1c(C(=O)NC2CCCCC2)cnn1[C@H]1CC[C@H](C(=O)O)CC1 101580066 HLKJXRGYFOSRLT-FZNQNYSPSA-N 393.553 4.264 0 1 GIAF CCc1ccc([C@H]2C[C@@H](NC(=O)NC(C)(C)C)CN(C(=O)C3CCCC3)C2)cc1 114341272 ZNFJCDBBFZBHED-LEWJYISDSA-N 399.579 4.221 0 1 GIAF CCC(CC)N(Cc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(Cl)cc1 115752945 YAGYWQLXJIWAKJ-UHFFFAOYSA-N 395.908 4.418 0 1 GIAF O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2)c1ccco1 137675975 AMFUZQUDWFCPBN-GOSISDBHSA-N 383.411 4.237 0 1 GIAF COc1nn(-c2ccccc2)c2cc(-c3ccc(N4CCNCC4)cc3)ccc12 147359824 ICLSTRFLCKHNME-UHFFFAOYSA-N 384.483 4.111 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cc2ccccc2n1C 167133509 ZPHZFRUOGBYSMV-HNAYVOBHSA-N 378.472 4.305 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169309532 GNWBLLYJQXKPIP-MLNIDPKRSA-N 388.596 4.334 0 1 GIAF COc1cc([C@@H]2CC(c3ccccn3)=NN2c2ccccc2)cc(OC)c1OC 169328248 MDHKXHUJXIFILY-FQEVSTJZSA-N 389.455 4.463 0 1 GIAF O=C(Nc1cc(Cl)ccc1OC1CCNCC1)c1csc2cccnc12 220630925 PPIGWXNYCGUCMZ-UHFFFAOYSA-N 387.892 4.333 0 1 GIAF CC(C)COc1cc2nc([C@H](N)Cc3cscn3)[nH]c2cc1Br 587027381 BZVFXHIMIIVWPA-GFCCVEGCSA-N 395.326 4.059 0 1 GIAF CCOC(=O)Cc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587080836 SZOMRTLIAMMXHE-INIZCTEOSA-N 396.878 4.046 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)C(F)(F)F)n1 587094103 JWLWTGFENREYRR-ZDUSSCGKSA-N 397.756 4.252 0 1 GIAF Cc1ccc2c3c(cc(-c4cnc5nncn5c4C)nc13)-c1ccccc1C2=O 587096832 LAXRNJVEWUBVAP-UHFFFAOYSA-N 377.407 4.168 0 1 GIAF O=C(/C=C/c1nc2cc(Br)cc(F)c2[nH]1)Nc1ccc(F)cc1 587167859 YXMPRFAHTGTHFV-AATRIKPKSA-N 378.176 4.256 0 1 GIAF COc1cc(F)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587381853 MFDCAUVYPVECFH-HNNXBMFYSA-N 380.213 4.194 0 1 GIAF COc1cc2c(cc1OC)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)CC(C)(C)O2 587411856 KXNLANLWHWMZMS-QFIPXVFZSA-N 383.444 4.016 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(C)c1Oc1ccccc1)[C@@H](C2)C3=O 587432039 MHLGCKRPGSDPAV-HRAATJIYSA-N 376.412 4.018 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(Br)cnn1CC)CC2=O 587457989 OYKVIYLCIMFPHP-GOSISDBHSA-N 393.281 4.204 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H]([C@]1(C)CCN(C(=O)OC(C)(C)C)C1)CC2=O 587479997 VUUHVHHMOCJEGF-XMSQKQJNSA-N 389.492 4.326 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OC)OCCCO3)CC2=O 587493616 UOSVTAFNEGTNER-LJQANCHMSA-N 384.428 4.221 0 1 GIAF COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587559675 YUJKACAQPWDJEX-WIYYLYMNSA-N 394.354 4.021 0 1 GIAF COc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587700048 UHYCZVZWEJZXFM-GLEZIHRCSA-N 385.664 4.269 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)(F)F)(C2CC2)N1 587704733 JSGNJMBOOAPALC-ANRSDYALSA-N 394.206 4.249 0 1 GIAF COc1c(F)cc(F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587722132 QZYIONQIZJQARZ-BCTVWOGZSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)cc2F)N1 587724688 LGUYLIVGZKBQIV-BCTVWOGZSA-N 382.204 4.049 0 1 GIAF Cc1ccnc2c1c([C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)cn2C 587755560 HUKDBXLCKRUNEM-BBATYDOGSA-N 388.284 4.407 0 1 GIAF COC(=O)C[C@@]1(C2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587810015 SPBYKTZWKHVQNQ-ZMZPIMSZSA-N 384.289 4.071 0 1 GIAF COC(=O)c1ccc(F)c(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1 587861542 TUYLOMOIAFFDNY-UHFFFAOYSA-N 394.324 4.492 0 1 GIAF C[C@H]1CCc2cc(-c3nccn3C)ccc2N1C(=O)c1cc(Cl)c(O)cc1O 653633828 HGWPYDZYRWUXAC-LBPRGKRZSA-N 397.862 4.133 0 1 GIAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)cc1F 653696834 HGRRBZCKZYRNEW-UHFFFAOYSA-N 378.359 4.088 0 1 GIAF C[C@@H](C(=O)Nc1ccc(-n2c3c(c4nc[nH]c(=N)c42)CCC3)cc1)c1ccccc1 1857551653 LRJZQARIEAUSMB-OAHLLOKOSA-N 397.482 4.064 0 1 GIAF CCCc1nc2c(N)cccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1 1857578743 CNBCPXYBKWFXGF-UHFFFAOYSA-N 384.483 4.385 0 1 GIAF OCC1(CCOc2ccccc2)CCN(Cc2ccc3cccc(F)c3n2)CC1 12305300 SODIBTJXLGXZNB-UHFFFAOYSA-N 394.490 4.418 0 3 GIAF CN1OC[C@@H]2CN3C4(C[C@@H]21)c1ccccc1C3(c1ccccc1)c1ccccc14 199736981 PHYLDDSQKVVVPD-WHEOHWNYSA-N 380.491 4.117 0 3 GIAF Oc1ccc(-c2nnc(SCCN3CCCCC3)n2Cc2ccccc2)cc1 4130549 LKPADWYHKJTHMU-UHFFFAOYSA-N 394.544 4.277 0 1 GIAF C[C@]12CC[C@@H]3c4ccc(O)c(I)c4CC[C@H]3[C@@H]1CC[C@@H]2O 13651796 CPQGZIFQJRQAPQ-ZHIYBZGJSA-N 398.284 4.214 0 1 GIAF COc1ccc2oc(=O)cc(NC3CCN(C/C=C/c4ccccc4)CC3)c2c1 13673191 RABIRYOYVRATMT-VMPITWQZSA-N 390.483 4.391 0 1 GIAF CN1CCOC[C@H]1Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 13781958 VPECISRBELGQJE-LJQANCHMSA-N 384.479 4.356 0 1 GIAF COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2F)ccc1O 16009702 NAGZFNUFYITIPH-OFAXGOBFSA-N 385.479 4.408 0 1 GIAF Cc1oc(-c2ccccc2)nc1COc1ccc(C[C@H]2SC(=O)NC2=O)cc1 26579009 RREZFAPTUNHCBM-GOSISDBHSA-N 394.452 4.123 0 1 GIAF CC(C)c1nc2c(Nc3ccc(Cl)cc3)nc(N3CCC(=O)CC3)nc2[nH]1 26725222 QJCGCTHKPLYOEC-UHFFFAOYSA-N 384.871 4.043 0 1 GIAF COc1ccc([C@@H]2[C@H]([C@@H](O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 27876293 JBUUXMRKJQWOHR-KMDXXIMOSA-N 387.479 4.393 0 1 GIAF CC[C@@](O)(NC1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1 28707258 CIGKRUOWOUHAPV-VWLOTQADSA-N 388.511 4.289 0 1 GIAF Nc1n[nH]c2nc(-c3cc(Br)ccc3O)cc(-c3ccccc3)c12 28882955 CZDDKQGCFAHRBQ-UHFFFAOYSA-N 381.233 4.342 0 1 GIAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2cccc(C)n2)/C1=C(/O)OCCc1ccccc1 29488675 RNFQZMIJMSQGOK-VZFXBBDVSA-N 393.443 4.485 0 1 GIAF CCc1cccc2c(C3=C(Br)C(=O)NC3=O)c(-c3ccccc3)[nH]c12 40916509 FQDUVYXFXQPEDH-UHFFFAOYSA-N 395.256 4.160 0 1 GIAF COc1ccc(CCc2nnc3n2N=C(c2ccc(Cl)cc2)CS3)cc1 45316149 GNTGDYZSWPXVST-UHFFFAOYSA-N 384.892 4.083 0 1 GIAF COc1ccc(OC)c(-c2cc(NCCCN(C)c3ccccc3)ncn2)c1 82161023 ZAUIVHSPUCHFNA-UHFFFAOYSA-N 378.476 4.099 0 1 GIAF CCN1C(=O)[C@@](CC)(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 96299796 UTXCMSKCFYPXAI-QHCPKHFHSA-N 397.950 4.130 0 1 GIAF CCN1CC[C@]23C[C@H]4Nc5ccccc5[C@@H]4C[C@H]2[C@@H]1Cc1ccc(OC)c(O)c13 101352414 MGSQVKPJFDAIBR-MUNBIWSKSA-N 390.527 4.277 0 1 GIAF C[C@@H](Oc1cc(=O)oc2ccccc12)C(=O)NC12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2 101549828 FPELOZBZQOVRQQ-WGYYMXKTSA-N 395.499 4.426 0 1 GIAF CC[C@@]1(C(=O)NCCc2csc(Br)c2)[C@@H](C)C1(Cl)Cl 103296656 QRHUTWNFVBWOPE-PELKAZGASA-N 385.154 4.389 0 1 GIAF CCc1ccc([C@@H]2C[C@@H](NC(=O)C(C)(C)C)CN(C(=O)C3CCCC3)C2)cc1 113934375 HIPFDKHTVIPUJW-NHCUHLMSSA-N 384.564 4.286 0 1 GIAF O=C1CCc2ccc(OCCCN3CCCCC3)cc2N1Cc1ccccc1 169308745 BYSCMHOLDXGENA-UHFFFAOYSA-N 378.516 4.421 0 1 GIAF COc1ccc([C@@H]2CC(=O)N[C@H]3CCCC[C@H]3N2Cc2ccccc2)cc1OC 299845694 PBSSDXVPVMQJOQ-HBMCJLEFSA-N 394.515 4.078 0 1 GIAF COc1ccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2c1 586967668 CLOZSJMNMSHQAZ-UHFFFAOYSA-N 385.880 4.406 0 1 GIAF Cc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1F 587018502 FAOMCFNUZXANEX-UHFFFAOYSA-N 381.432 4.496 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(Br)c(F)cc2[nH]1 587041365 FNJSCAGNBNJXJM-LBPRGKRZSA-N 386.290 4.085 0 1 GIAF CC(C)OC(=O)C1(c2nc3cc(Br)cc(F)c3[nH]2)CC(F)(F)C1 587131316 DSHFAULEQRNXDF-UHFFFAOYSA-N 391.187 4.083 0 1 GIAF Fc1cccc(Cn2nnc(-c3nc4ccc5ncccc5c4[nH]3)c2Cl)c1 587161779 QYOZKKSOSFURIY-UHFFFAOYSA-N 378.798 4.210 0 1 GIAF Fc1ccc2[nH]c(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c(Cl)c2c1 587173950 BBGDSBRQIXCIPO-UHFFFAOYSA-N 384.842 4.336 0 1 GIAF CC(C)[C@H](c1nc2ccnc(Br)c2[nH]1)N(C)C(=O)OC(C)(C)C 587198089 SQCWLDZQBMGEEJ-GFCCVEGCSA-N 383.290 4.284 0 1 GIAF CCOC(=O)CNc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 587225720 RYYJVKHAQDKKNJ-UHFFFAOYSA-N 399.450 4.436 0 1 GIAF O=C1C[C@@H](c2ccc(F)c(N3CCOCC3)c2)Oc2c1ccc1c2CCCC1 587506862 QHMWKHNJUHJOJE-QFIPXVFZSA-N 381.447 4.248 0 1 GIAF COc1ccc2c(c1)[C@@H](CC(=O)O)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587528055 YWMHEBFYYCDHHX-OWJWWREXSA-N 392.451 4.397 0 1 GIAF CCOC(=O)C(CC)(CC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596824 PITIYHGDKLRRLU-AVRDEDQJSA-N 398.455 4.482 0 1 GIAF COc1cccc2c1CC[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602134 WOEWJEHYMIVYDG-QPPBQGQZSA-N 388.419 4.290 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587724563 JHCAHJACLOJYDH-XYZCENFISA-N 396.231 4.138 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccco2)N1 587739449 GXAMYQQVCKODET-RQTBGOTGSA-N 379.273 4.034 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cccc(N)c32)N1 587744108 GGKUOPNQNNJOTB-WYRIXSBYSA-N 375.285 4.285 0 1 GIAF COc1cccc(C)c1-c1nc2c(Br)cnc(Br)c2[nH]1 587786354 KVNWHWYSNNCFDH-UHFFFAOYSA-N 397.070 4.467 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2cccc(C=O)c2)N1 587797825 XNEGDZWWGZRZSU-BUXKBTBVSA-N 392.268 4.229 0 1 GIAF CC[C@]1(c2ccc(O)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807341 NCJBQIKMMPDFDE-JEOXALJRSA-N 394.284 4.490 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)N1CCCC1 587866797 PWQPKLYHZSOOFZ-CYBMUJFWSA-N 381.398 4.092 0 1 GIAF Cc1cc(CN2CCC(C)CC2)c(C)c([C@H]2NCCc3nc4ccccn4c32)c1 962985502 FVWMOBVHSMHYDY-XMMPIXPASA-N 388.559 4.418 0 1 GIAF CN1CCc2c(Br)cccc2[C@@]12CCC[C@@H]2NC(=O)OC(C)(C)C 963278421 BBZOWLHTWRJPAV-QFBILLFUSA-N 395.341 4.210 0 1 GIAF CC(C)c1cc(-c2ccc(F)nc2F)nn(Cc2ccc(Cl)cc2)c1=O 1911582669 MPMMTRKGSRXEEU-UHFFFAOYSA-N 375.806 4.409 0 1 GIAF Cc1ccccc1-c1nc(CN2CCC(C(=O)NCc3ccco3)CC2)c(C)o1 4110710 CQOYLHCFJGDMML-UHFFFAOYSA-N 393.487 4.080 0 3 GIAF O=C(O)c1c(F)cccc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O 29466877 SWXPUBGJUPFVLM-KSFYIVLOSA-N 378.399 4.476 0 1 GIAF Cc1ccc(N2CCc3ncnc(N[C@H](C)c4cc(F)cc(F)c4)c3C2)nc1 114995139 STMMULZVHSKPDR-CQSZACIVSA-N 381.430 4.194 0 1 GIAF COc1ccc(CNC(=O)c2ccc(-c3cccnc3)c3ccoc23)cc1OC 61930802 VBYOTLPOZNOELH-UHFFFAOYSA-N 388.423 4.442 0 3 GIAF c1ccc(CN2CCN(c3ccc([C@H]4CC(c5ccncc5)=NO4)cc3)CC2)cc1 28961990 SQILNFKMEMKHIH-RUZDIDTESA-N 398.510 4.270 0 1 GIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@H](OC(C)=O)[C@@]13CC(=O)[C@@H](CC[C@@H]12)C3 2356784074 NCSYZCFTTYSTDM-OQIABNLHSA-N 390.520 4.073 0 1 GIAF CCc1c(O)nc(SCC(=O)c2ccc(OC)cc2)nc1Cc1ccccc1 66251135 HCVYANPJFKJLEK-UHFFFAOYSA-N 394.496 4.319 0 1 GIAF CCCN1CCO[C@@H]2c3cc(C(=O)Nc4ccc(OC)cc4)ccc3CC[C@H]21 34549256 HBXAUVWJLFTKDA-FGZHOGPDSA-N 380.488 4.046 0 1 GIAF CCCCCC[C@H]1C(=O)O[C@@H]1C[C@H](CCCCC)OC(=O)[C@H](NC=O)C(C)C 238782306 WWGVIIVMPMBQFV-MTQWCTHYSA-N 397.556 4.151 0 1 GIAF COc1c(-c2ccc(C)c(O)c2CC=C(C)C)oc2cc(O)cc(O)c2c1=O 95914470 RUZILUVYYREOBK-UHFFFAOYSA-N 382.412 4.403 0 1 GIAF biogenic,in-vitro CCCNC(=O)/C=C/c1c(/C=C/c2ccc(OC)cc2)cc(OC)cc1OC 95589773 JGXOQTMNIZJDRX-UXKPLKHMSA-N 381.472 4.422 0 1 GIAF O=S(=O)(Nc1ccccc1)c1ccc(-c2nccn2Cc2ccccc2)cc1 299825121 WJXSOMFZMISVNK-UHFFFAOYSA-N 389.480 4.399 0 1 GIAF COc1cc2c3c(c1)O[C@@](C(=O)c1cccs1)(c1cccs1)[C@@H](C2)C3=O 587452690 STGQFWYNJOYKJF-RNODOKPDSA-N 382.462 4.344 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1sc(Nc4cccnc4)nc1C)[C@@H](C2)C3=O 587453821 ZTLBAOOEPUOOBG-BTYIYWSLSA-N 393.468 4.262 0 1 GIAF CC(=O)N[C@@H](Cc1nc2ccc(C)c(C)c2[nH]1)c1ccc(Br)cc1 586983960 BHLHAMRIGLLYGO-KRWDZBQOSA-N 386.293 4.362 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)c(F)cc1Br)[C@@H](C2)C3=O 587424722 SYHHVVIDVWSZCW-VOJFVSQTSA-N 393.208 4.094 0 1 GIAF CCOc1cc(/C=C\c2nc3c(S)nc(S)nc3[nH]2)ccc1OC(F)F 587130937 RJZJPLKNGGQOOT-XQRVVYSFSA-N 396.444 4.101 0 1 GIAF O=C1C[C@](C(=O)c2ccccn2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587515759 QUBHHPKVALUICU-XMMPIXPASA-N 384.435 4.099 0 1 GIAF COc1cccc(NC(=O)c2c(-c3cccnc3)[nH]c3c(C(=O)O)cccc23)c1 587637462 DCBQCMSZEGCIOZ-UHFFFAOYSA-N 387.395 4.189 0 1 GIAF OC1(c2nc3ccc(Br)c(F)c3[nH]2)CCC(C(F)(F)F)CC1 587124506 AXEFIFLJNCFKLC-UHFFFAOYSA-N 381.167 4.405 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(N(C)C)nc3ccccc3c1O)CC2=O 587467705 GKVDWVITAMDPBB-LJQANCHMSA-N 392.455 4.371 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCCC(=O)O)(c1ccc(Cl)s1)O2 587409864 JTGGLHCZIAJDKJ-SFHVURJKSA-N 379.865 4.408 0 1 GIAF COc1ccc(-c2n[nH]cc2[C@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1OC 963113566 RSXSARULHBVXMN-HJPURHCSSA-N 393.462 4.343 0 1 GIAF CN(C)C(=O)c1ccc2c(c1)[C@@](C)(c1ccc3c(c1)-c1ccccc1C3)NCC2 962925425 MPEUVLSSNKGRDG-AREMUKBSSA-N 382.507 4.369 0 1 GIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](Cc2ccccc2)(C2CC2)N1 962967425 NCXQYBJXARPDQO-OXJNMPFZSA-N 377.818 4.065 0 1 GIAF Cc1cc(NC(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)ccc1O 167052195 HHQRNWVISFWTLY-UHFFFAOYSA-N 383.411 4.373 0 1 GIAF O=C(O)c1cccc2c1CCN[C@@]2(c1ccc(Cl)c(Cl)c1)c1ncco1 963118254 BCOQNMDJLLGPMW-LJQANCHMSA-N 389.238 4.117 0 1 GIAF COc1ccccc1[C@@]1(C(F)(F)F)NCCc2cc3cccc(OC)c3nc21 963055674 JLVNVUZRIUZSBC-HXUWFJFHSA-N 388.389 4.204 0 1 GIAF COc1ccc(F)c(F)c1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772653351 WJABBERYRCTDMU-CYBMUJFWSA-N 377.318 4.374 0 1 GIAF O=C(C[C@@H](c1ccc(Cl)cc1)c1ccccn1)NCCCCc1c[nH]cn1 13490229 ANIHOXRCRZIORL-IBGZPJMESA-N 382.895 4.119 0 1 GIAF CCCN(CCO)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 13553446 OTOXJVRJQRHSJI-UHFFFAOYSA-N 393.318 4.459 0 1 GIAF Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc3c(c2)CCS3(=O)=O)cc1 13589002 ZBVXKIVUFPALRK-UHFFFAOYSA-N 392.402 4.196 0 1 GIAF Cc1ccc(S(=O)(=O)n2ccc([C@@H](O)c3ccc(Cl)cc3Cl)c2)cc1 6522668 VGKDVUNPIGDWEB-GOSISDBHSA-N 396.295 4.422 0 1 GIAF O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CNc1ccccc1 13529348 YHTIQUARFRYUQD-OAQYLSRUSA-N 375.468 4.354 0 1 GIAF O=C(c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1)N1CCCC1 13684476 XYOXPSRJMKQTOQ-UHFFFAOYSA-N 395.466 4.437 0 1 GIAF CCC(=O)c1c(O)n(O)c2cc(NC(=O)/C=C/c3ccccc3Cl)ccc12 18038033 ZRSXGWBSYHWQPC-JXMROGBWSA-N 384.819 4.482 0 1 GIAF C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)ccc1Cl 28820541 CCHLSFVEQIXFHR-NSHDSACASA-N 383.300 4.384 0 1 GIAF N[C@H]1CN(c2nccc(-c3ccsc3)n2)C[C@H]1c1ccc(Cl)cc1Cl 36310955 ISIAZPQCRKPGLU-HOCLYGCPSA-N 391.327 4.443 0 1 GIAF c1ccc(Sc2ncnc3c2ncn3[C@H]2COc3ccccc3CO2)cc1 40393349 YHOMQVWHSJQNAS-QGZVFWFLSA-N 376.441 4.085 0 1 GIAF O=c1cc(NCCCN[C@H]2CCOc3c(Cl)cccc32)[nH]c2ccccc12 45301756 UEULZSPDPPMAIP-KRWDZBQOSA-N 383.879 4.097 0 1 GIAF CC/C=C(\C)Cc1c(O)ccc([C@H]2COc3cc(O)cc(O)c3C2=O)c1OCC 59588993 DPDHIKPNCJBMFF-JIOITTSWSA-N 398.455 4.460 0 1 GIAF biogenic,in-vitro O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccn2)nc2ccccc12 66111632 JQRWFPGHIAHAEQ-UHFFFAOYSA-N 383.367 4.192 0 1 GIAF CC[C@@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1C1CCC1 88345625 KFMQGNZMAPLSFW-MRXNPFEDSA-N 388.475 4.264 0 1 GIAF COc1cc(C(F)(F)F)cc(C)c1C(=O)C[C@H]1COCC[C@@H]1N1CCCC1 96170677 WVSSYYHBJJJBAT-HOCLYGCPSA-N 385.426 4.096 0 1 GIAF O=C1OCC(OCCOC(=O)c2cc(Cl)ccc2Cl)=C1c1ccccc1 96914289 SVCVOFUQPKQNAN-UHFFFAOYSA-N 393.222 4.135 0 1 GIAF COc1ccc(N2C=C(c3ccccc3)[C@@H]3C(n4nc(C)cc4C)=NC=N[C@H]32)cc1 98085505 OMJYBGMVTDULRR-GOTSBHOMSA-N 397.482 4.301 0 1 GIAF CCC(=O)c1ccc(OCCCCOc2ccc(F)c(C(=O)O)c2)c(C)c1O 169351438 RFEQZFYDZPGTDR-UHFFFAOYSA-N 390.407 4.369 0 1 GIAF Cc1ncsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(N)c1 169710824 QYSGVHHIIBJAQX-UHFFFAOYSA-N 379.489 4.227 0 1 GIAF CCOC(=O)n1cc2[nH]c(C)c(CN)c(-c3ccc(Cl)cc3Cl)c-2c1=O 169730468 GCCMRGFXUCCOQG-UHFFFAOYSA-N 394.258 4.027 0 1 GIAF Cc1c(-c2nc3ccccc3o2)cc(C(C)(C)C)n1CCCN1CCNCC1 220754797 NTQXUUVJVGMBEM-UHFFFAOYSA-N 380.536 4.198 0 1 GIAF O=C(O)c1cccc(CNc2n[nH]c(Nc3cc(Cl)cc(Cl)c3)n2)c1 220908122 TZEPICQGSUEDEF-UHFFFAOYSA-N 378.219 4.165 0 1 GIAF Cc1cc(Br)c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1F 587137866 PHFANBYVJMITCB-UHFFFAOYSA-N 376.229 4.142 0 1 GIAF Clc1cc(I)cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587183998 NFJBPHNOAKKZGL-UHFFFAOYSA-N 394.603 4.364 0 1 GIAF Nc1ccc(C(=O)CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 587251769 NQUWXBGMTPMDLJ-UHFFFAOYSA-N 384.308 4.010 0 1 GIAF Cc1[nH]nc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345299 IQTQOEGIFYNJDU-UNMCSNQZSA-N 378.403 4.154 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(F)c(F)c1O)O2 587382913 VMIDJSULXLFCSJ-LBPRGKRZSA-N 384.176 4.030 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(N3CCC[C@@H](C)C3)ccc1N)O2 587396508 SZTZPEMWTRONLV-FATZIPQQSA-N 379.504 4.276 0 1 GIAF COc1cccc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512765 PGTWWJCXZHNNCP-QHCPKHFHSA-N 379.456 4.327 0 1 GIAF C[C@]1(c2nc3ccc(F)cc3[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567578 DZLUFVLVXUWZFW-GCJKJVERSA-N 390.370 4.285 0 1 GIAF C[C@]1(c2cnc3ccccc3n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588899 VDVQXAHQOZUUDV-NFBKMPQASA-N 384.391 4.212 0 1 GIAF CCn1ncc(Cl)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587699053 RIBWLNDPHNLJJD-JDNHERCYSA-N 386.696 4.256 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(c3ccc(F)cc3)C2)N1 587728189 FDUUHDCJBWAAMZ-BUXKBTBVSA-N 393.275 4.367 0 1 GIAF CNc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1N 587743568 OWEOALJTKCTENN-YPMLDQLKSA-N 378.289 4.010 0 1 GIAF CCOc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1N 587746921 IZOLAJLBAPDTJT-WLRWDXFRSA-N 393.300 4.367 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(C)(C)N2C[C@@H](C)O[C@H](C)C2)N1 587757840 BOEVGLRQRHVUTC-JJFYZRJRSA-N 399.348 4.051 0 1 GIAF CCCOc1cc2nc(-c3cccc(OC)c3O)[nH]c2cc1Br 587787008 OVOOOSUHZMFISC-UHFFFAOYSA-N 377.238 4.495 0 1 GIAF CCC(=O)OC1=C(C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587813615 WAWYYRZTPXEGEG-ZMZPIMSZSA-N 382.273 4.339 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(C(=O)O)ccc32)N1 587824386 BKTWJPMPCDGSBG-OVWNDWIMSA-N 390.252 4.010 0 1 GIAF Cc1cccc2c1OCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587831980 AQHFNEZXRRVVJE-HXPMCKFVSA-N 376.269 4.457 0 1 GIAF C[C@H](O)Cc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587835470 XEYWXWLRVHCQNI-UFYHVXEKSA-N 378.285 4.135 0 1 GIAF COC(=O)CC[C@@]1(c2ccc(OC)cc2)NCCc2c(Cl)cc(Cl)cc21 963113036 UMMYTBYHEMRBQF-FQEVSTJZSA-N 394.298 4.345 0 1 GIAF CCOc1ccc2c(c1OC)CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)[C@@H]2C 1772587102 OCNZUVWMFVQZPS-DLBZAZTESA-N 396.531 4.410 0 1 GIAF O=C(O)C[C@@H]1CCCN1c1ccc(OCc2ccc(Cl)cc2Cl)cn1 1772598300 DKJOCNYBJXKBFL-AWEZNQCLSA-N 381.259 4.411 0 1 GIAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)N(C)C)cc21 1857587082 KVZXILGNQGMDSA-UHFFFAOYSA-N 399.494 4.042 0 1 GIAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccccn3)cc21 1857750862 FEKVOIYCAPBRPC-UHFFFAOYSA-N 375.384 4.038 0 1 GIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@]1(COC(=O)O1)C3 2356664766 HRGBLXKHLLJXCT-XGSMODIZSA-N 376.493 4.478 0 1 GIAF CCOC(=O)c1csc(CCCCCCc2nc(C(=O)OCC)cs2)n1 5811040 XACFDCPXQBGOLL-UHFFFAOYSA-N 396.534 4.299 0 1 GIAF CNC(=S)[C@@]1(c2cccnc2)CCCC[C@@H]1CCNC(=O)c1ccc(F)cc1 13590025 GTUMDGGPUWQZIP-VGSWGCGISA-N 399.535 4.016 0 1 GIAF COc1ccc(CNC[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1OC 13651336 LPZZOYUHFGKRBK-QHCPKHFHSA-N 385.504 4.208 0 1 GIAF CCCC[n+]1cc2cc(OC)c(OC)cc2c2c1-c1cc3c(cc1C2)OCO3 26498786 KCEMLTPIXXVOSJ-UHFFFAOYSA-N 378.448 4.245 0 1 GIAF C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@]132 27625022 HZADOWFVVLRJEB-KHQJZPMISA-N 378.468 4.163 0 1 GIAF CC(C)c1ccc(C(=O)c2cnc(OCC3CCN(C(C)C)CC3)n2C)cc1 40410879 MGOONGLDZKMQMT-UHFFFAOYSA-N 383.536 4.274 0 1 GIAF C[C@H]1C[C@H](O)[C@]2(C)[C@H](C)C(=O)CC[C@@H]2[C@@]1(C)COc1ccc2ccc(=O)oc2c1 86052703 XYUJBOZUFFMPGO-HKVQPUEUSA-N 398.499 4.200 0 1 GIAF in-man O=C1C[C@H](c2cccc(Cl)c2)C(=O)N1CN1CCC(Cc2ccccc2)CC1 96938041 FSBLEBAPNHVGBH-OAQYLSRUSA-N 396.918 4.095 0 1 GIAF CN(C)c1ccc(-c2cc(=O)c3cc([125I])ccc3o2)cc1 101408524 MVKVWWKDDYBNOJ-HGTLKWEASA-N 389.209 4.131 0 1 GIAF CNc1ncc(-c2ccnc(Nc3cnc4ccccc4c3)n2)c(CC2CC2)n1 200573112 GCJHXHBCNCJIPK-UHFFFAOYSA-N 383.459 4.220 0 1 GIAF Cc1nc(-c2cc(C(=O)N3CC(c4ccc(C#N)cc4)C3)ccc2C2CCC2)n[nH]1 220786685 PIISJIUUAMMZEV-UHFFFAOYSA-N 397.482 4.159 0 1 GIAF COC(=O)c1cc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2c(F)c1Nc1ccccc1 586898502 ILMXEKDVDOOMQX-XBXGTLAGSA-N 383.423 4.251 0 1 GIAF CC1(C)COc2c(-c3nc4ccc(S(=O)(=O)C(F)(F)F)cc4[nH]3)cccc21 586913012 ZBURHYQHJYPJEM-UHFFFAOYSA-N 396.390 4.193 0 1 GIAF O=C(O)COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586989502 LQTTXYVSVWUJQR-UHFFFAOYSA-N 397.386 4.282 0 1 GIAF O=S(=O)(c1ccc2nc(CNc3ccccc3Cl)[nH]c2c1)C(F)(F)F 587061133 BACFUUNMOKXFNY-UHFFFAOYSA-N 389.786 4.122 0 1 GIAF Fc1cccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1C(F)(F)F 587098869 YCPGFBVCLNFGBL-UHFFFAOYSA-N 379.357 4.220 0 1 GIAF COc1ccc(C(=O)c2ccccc2-c2nc3cc4c(cc3[nH]2)OCO4)cc1F 587144064 HYKDEXWIFSABAI-UHFFFAOYSA-N 390.370 4.337 0 1 GIAF COC(=O)c1cc(F)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587571676 OFWZBHGGTZJBNI-RXVVDRJESA-N 394.354 4.021 0 1 GIAF COc1ccc(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594567 OSEKOWZHOQNJGN-REWPJTCUSA-N 392.407 4.286 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2[C@H]1CCOC1 587619675 YOBVIJHQSKDYLS-MJISLDTMSA-N 380.440 4.319 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC=C2Br)N1 587680405 IWWDDDKKDLVDGP-RMLUDKJBSA-N 375.079 4.390 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)nnc2Cl)N1 587706532 QGMDFTMAOYHWSR-DAZKTRTLSA-N 391.071 4.309 0 1 GIAF COc1c(F)ccc(F)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587716731 DRMBNQUXJDYPNE-ZKANADHPSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(c3ccccc3)C2)N1 587770744 TWTDIZRXDYBADJ-DJJJIMSYSA-N 375.285 4.228 0 1 GIAF COc1ccc2c(c1)NCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587789237 ANTNMWXOELZHFD-WYRIXSBYSA-N 391.284 4.190 0 1 GIAF CC1(C)COC(c2cccc(-n3c(O)ccc3OCCc3ccccc3)c2)=N1 587935674 PJNSDTSXMKVBSY-UHFFFAOYSA-N 376.456 4.360 0 1 GIAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587952872 DPSROCDLBFSUGX-AWEZNQCLSA-N 395.484 4.106 0 1 GIAF CC(=O)OCC(=CCCC(C)=CCO)[C@@H]1CC=C(CCC=C(C)C)C(=O)O1 2356479112 DBVLRYKUPZMATI-NRFANRHFSA-N 376.493 4.183 0 1 GIAF COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCc2ccco2)cc1 644204 PVBKHLONPNEUIX-UHFFFAOYSA-N 384.819 4.124 0 3 GIAF COc1cc(Br)c([C@@H](C)NC(=O)c2ccc(C)cc2)cc1OC 668030 BISVRZJEXDGHJW-GFCCVEGCSA-N 378.266 4.266 0 3 GIAF Brc1ccc2nc(-n3ccnc3)nc(NCc3ccccc3)c2c1 834473 DFGDYDPZOZQRCU-UHFFFAOYSA-N 380.249 4.190 0 1 GIAF Cc1c2c(c(O)c3c1O[C@]1(C)CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]1C3)C(=O)OC2 2356369808 IRHNVLPQCCHRLJ-DUUCSIHASA-N 398.499 4.486 0 1 GIAF CCCCN(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 28823205 FBUMZIOJTRMPJC-UHFFFAOYSA-N 388.316 4.481 0 1 GIAF O=C(Nc1ccccc1Cl)c1cc([C@H]2CCCCN2C(=O)OCCF)on1 61903518 NEEPLEOASXTWEZ-OAHLLOKOSA-N 395.818 4.213 0 3 GIAF CCCCNC(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3OC)c2c1 29472190 SCQVJOPHXHPHPK-UHFFFAOYSA-N 395.459 4.318 0 1 GIAF O=C1Cc2nncn2-c2ccc(Cl)cc2N1c1ccccc1C(F)(F)F 34778512 WUPUJNGRFGXFGI-UHFFFAOYSA-N 378.741 4.160 0 1 GIAF C/C(=C\[C@@H](O)C/C(C)=C/CCc1ccoc1)CC[C@@H](O)[C@]1(C)CCC(=O)O1 35950662 RUOCTYFLHGRTMP-LKYGDWGJSA-N 376.493 4.093 0 1 GIAF Cc1ccccc1CNc1ncnc2c1nc(C(C)C)n2CC[C@H]1CCCN1C 82180457 MLJSPAXPTLBWIA-LJQANCHMSA-N 392.551 4.355 0 1 GIAF O=C1Nc2cc(C(=O)O)ccc2/C1=C(\c1ccccc1)c1nc2ccccc2[nH]1 84741224 HLKARGIXQHWNKN-VXPUYCOJSA-N 381.391 4.172 0 1 GIAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3F)n2)C1 82152312 IEDOGDIVOFGOOW-IAGOWNOFSA-N 396.510 4.391 0 1 GIAF CC[C@H](C)OC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl 98083581 KBVLILOVEKFCNX-JTQLQIEISA-N 379.815 4.178 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2cccnc2)no1 587862959 NAADRAMMHKOSAN-UHFFFAOYSA-N 387.321 4.012 0 1 GIAF CC(C)Oc1ccc2nc([C@@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2c1 587147927 DCPDZBWBBAAGGC-CQSZACIVSA-N 385.414 4.144 0 1 GIAF COc1cccc2c1[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587809410 QHOLGIZLRLYLCF-NSPYISDASA-N 376.269 4.321 0 1 GIAF Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 587410670 VOYRHIDGOJYTQU-RBBKRZOGSA-N 399.512 4.006 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)cc1N(C)C)[C@@H](C2)C3=O 587413756 PTDMQGUJPMCFQL-LIRRHRJNSA-N 388.261 4.012 0 1 GIAF COc1c(Cc2ccccc2)cc(O)n1-c1cccc(C2=NC(C)(C)CO2)c1 587934083 ARKFVTNDHQCSNB-UHFFFAOYSA-N 376.456 4.338 0 1 GIAF COc1cc(C)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587596070 UJHIMSPTTYWCGB-CVDCTZTESA-N 392.407 4.426 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(Br)ccc(O)c3n1)O2 587372341 PJIKUDLOGPTVAE-KRWDZBQOSA-N 399.244 4.300 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(Cc3ccco3)CC2)N1 587766235 GIHAQBUFHYEJNE-CYBMUJFWSA-N 393.300 4.207 0 1 GIAF CCOc1ccccc1[C@](N)(c1nc2cnc3ccccc3c2[nH]1)C(F)(F)F 587091209 CCNCPSGKQGNNTO-IBGZPJMESA-N 386.377 4.274 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(N2CCCC2)c1 587596993 SUCATXRUCMGYGE-REWPJTCUSA-N 388.423 4.090 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]([C@@H](F)C(=O)OCC)C1)CC2=O 587464906 YXXLMCDMPXOMFN-NVMYHKGLSA-N 378.440 4.140 0 1 GIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587558123 QFWYULGBBLGUIF-SIKLNZKXSA-N 380.371 4.417 0 1 GIAF O=C1C[C@H](c2nc3cc(Cl)c(F)c(F)c3[nH]2)CN1Cc1ccc(F)cc1F 587147885 CJZWNQHDCCBJPT-VIFPVBQESA-N 397.759 4.289 0 1 GIAF COc1ccc(-c2ccc(-c3nc4cnc(Cl)[nH]c-4n3)c(O)c2)cc1OC 587928105 YIYHFICMIXGLHX-UHFFFAOYSA-N 382.807 4.015 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Cl)c2)([C@@H](C)O)N1 587704460 UMZXXVMCICWCPR-PJYBLOJUSA-N 398.703 4.400 0 1 GIAF C/C=C/CC[C@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587803679 BFJPFGYBKDFWLS-PNENFHPVSA-N 384.289 4.237 0 1 GIAF CC(C)CCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795672 REWGACCBZUXSQT-KPZWWZAWSA-N 386.305 4.317 0 1 GIAF COCCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587791911 JTCJJAWYYGVPSL-BLVKFPJESA-N 394.284 4.237 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3oc(CO)cc3c2)N1 587832814 LBNPWWCPXCPLQD-GIGQVBGESA-N 390.252 4.450 0 1 GIAF Cn1nc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(Cl)c1C(F)(F)F 587873701 HKFDUDXMBDXXKM-UHFFFAOYSA-N 386.692 3.889 0 1 GIAF CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600989 CGQVVUMPWVNYDS-VQDLLJBESA-N 378.424 4.118 0 1 GIAF CC(C)Oc1cc2nc(-c3cc(CO)ccc3F)[nH]c2cc1Br 587141046 VMIMZCSSJRAEQT-UHFFFAOYSA-N 379.229 4.411 0 1 GIAF O=C(O)CCCC[C@]1(c2ccc(Cl)cc2)NCCc2nc3ccccn3c21 962988083 WTAXJVBFMJHFFP-OAQYLSRUSA-N 383.879 4.022 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@]3([C@H]1CCCCCC1=O)C(F)(F)F 963059435 RETDJJRQHFRSKT-YWZLYKJASA-N 392.421 4.296 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1c[nH]nc1-c1cc2ccccc2o1 963637594 SWMBKLXKEVEQOJ-ZAMGYDSWSA-N 389.455 4.464 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCC(=O)O)c1cc(C)c(C)cc1C 963632717 GURMLHVEQHTPOL-OSPHWJPCSA-N 397.515 4.272 0 1 GIAF O=c1cc(OCc2cccc(Cl)c2)nc2ccc(Oc3cccnc3)cn12 1772634638 NRJNVAHQQJOPPW-UHFFFAOYSA-N 379.803 4.114 0 1 GIAF Cc1ccc2c(Sc3cccc(C(=O)O)n3)c(C)n(-c3cnn(C)c3)c2c1 1772620379 MBAOKDCORYOFPP-UHFFFAOYSA-N 378.457 4.225 0 1 GIAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O/C(=C\CCCCCC(=O)O)C[C@@H]21 5820810 ITVMMMCBRSJVKT-HSGSPTTCSA-N 380.525 4.189 0 1 GIAF CC(=O)C[C@H]1c2cc(C(F)(F)F)ccc2S(=O)(=O)N1C1CCCCC1 12479383 BMOMQALHJRUSPJ-HNNXBMFYSA-N 375.412 4.063 0 3 GIAF CC(C)n1nc(C(=O)NC2CCN(CCc3ccccc3)CC2)c2ccccc21 13779607 APRJLRLJBAXHOO-UHFFFAOYSA-N 390.531 4.054 0 1 GIAF CCOc1cc(-c2ccccc2)cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953346 HCKRPPGEUVWKLE-OAQYLSRUSA-N 389.455 4.274 0 1 GIAF COc1ccc2c(c1)sc1nc(CCC(=O)c3ccc(OC)c(O)c3)cn12 1857546936 YLIWBWSVWHTJCZ-UHFFFAOYSA-N 382.441 4.087 0 1 GIAF COc1cccc(-c2cccc(NC(=O)CCc3cccc4c3[C@@H](O)OC4)c2)c1 1857621393 LBDPTGKTUHTEDA-DEOSSOPVSA-N 389.451 4.455 0 1 GIAF CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl 773332 VXGMIFHKWZDKBV-NVXWUHKLSA-N 381.234 4.313 0 1 GIAF CN1[C@H]2CC[C@@H]1CC(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 1660269 MHCSKANEQAAFNH-ZKSIIRFLSA-N 384.470 4.433 0 1 GIAF CC(C)C1=NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21 5962501 XRHANBWAKSYPEN-UHFFFAOYSA-N 384.483 4.377 0 1 GIAF in-vivo O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccn1 13609284 CEBQSUQQKDWGCV-VQHVLOKHSA-N 377.183 4.193 0 1 GIAF O=c1cc(N2CCOCC2)oc2c(-c3ccc(OC(F)(F)F)cc3)cccc12 13677218 JCAFZWAYGDTXSQ-UHFFFAOYSA-N 391.345 4.195 0 1 GIAF O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=C/[C@@H](O)c3ccc4c(c3)CCC4)[C@H](O)C[C@H]2C1 26147551 RZPKRKCFVWBKBT-GMHSMBKZSA-N 396.527 4.353 0 1 GIAF Cn1c(Cc2nn(C)c(=O)c3ccccc23)ccc1SCc1ccccc1 26567596 ULVZTQYPFUJVKF-UHFFFAOYSA-N 375.497 4.155 0 1 GIAF CN1[C@@H]2C[C@H](C(=O)O)[C@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 26988451 RFSBZRWCRLFPFN-ZGXWSNOMSA-N 387.426 4.007 0 1 GIAF O=C(O)c1ccc2c(c1)[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 27110234 WJAIXKHFYYKSIQ-YADHBBJMSA-O 384.411 4.283 0 1 GIAF NC(=O)c1cccc(-c2cnc([C@H](O)CCCCCCc3ccccc3)o2)n1 36079977 LMNHLVODNPUVQB-LJQANCHMSA-N 379.460 4.062 0 1 GIAF O=S(=O)(Nc1ccc(OCc2ccc3ccccc3n2)cc1)C(F)(F)F 40641194 NJDIYONTNGASDE-UHFFFAOYSA-N 382.363 4.075 0 1 GIAF Clc1ccc(CN2CCN(CCCOc3ccc4ncccc4c3)CC2)cc1 43073396 YQMGYTQXFLJQKN-UHFFFAOYSA-N 395.934 4.475 0 1 GIAF CN(C)C(=O)c1ccc(-c2cc3c(Nc4cccc(O)c4)nccc3n2C)cc1 82078160 NNWJEDJXJOJDTQ-UHFFFAOYSA-N 386.455 4.391 0 1 GIAF c1nc(NC2CCCCCC2)c2nc(-c3ccoc3)n(C[C@@H]3CCCO3)c2n1 82190275 AJPDGAAZAQYWOW-KRWDZBQOSA-N 381.480 4.400 0 1 GIAF CCCn1cc(-c2ccccc2)nc1C(=O)c1cc(OC)c(OC)c(OC)c1 95584008 GQCWPPDMTWULNQ-UHFFFAOYSA-N 380.444 4.217 0 1 GIAF Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5ccc(F)c(F)c5)c4)c3c2)cn1 96282973 FPQUAATUWBOAGG-UHFFFAOYSA-N 390.397 4.153 0 1 GIAF O=S(=O)(c1ccc(Cl)cc1)[C@]1(c2cc(F)ccc2F)CC[C@H](O)CC1 100420076 RCTIQFHQOVGEJY-PPUGGXLSSA-N 386.847 4.222 0 1 GIAF COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)C(C)(C)c3nnsc32)cc1 103278525 ZRAXYGBQUWQSFZ-IEBWSBKVSA-N 381.501 4.267 0 1 GIAF Cc1cc(Nc2ccc(C(F)(F)F)c(F)c2)n2nc(C(C)(F)F)nc2n1 116844123 HOTDSHUZUQSKJD-UHFFFAOYSA-N 375.276 4.446 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(OCCF)c1 167102532 MWNFJPWQSWLDKS-CRAIPNDOSA-N 387.451 4.162 0 1 GIAF COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(C)=O)nn32)cc1 169687539 UFOKRKLHQFRDJD-GOSISDBHSA-N 395.850 4.012 0 1 GIAF Cc1ccnc(NC(=S)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)c1 198797178 BTAVWIDYKYNYMA-UHFFFAOYSA-N 381.332 4.216 0 1 GIAF COc1nc(NCCc2ccc(F)cc2)nc(-c2cc3cc(C)ccc3[nH]2)n1 206745965 RJVIEEHKJWUBPH-UHFFFAOYSA-N 377.423 4.131 0 1 GIAF CC(=O)O[C@@H]1[C@H](C(C)C)[C@@H](OC(=O)C=C(C)C)C/C(C)=C/CC[C@]2(C)O[C@H]12 238746125 CSDVZHYNOKGRFJ-BRTWAYQUSA-N 378.509 4.356 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 299813244 RUDATBOHQWOJDD-RKNJJOJISA-N 392.580 4.478 0 1 GIAF Cc1cc(C)c2[nH]c([C@@H](N)Cc3ccc(I)cc3)nc2c1 587183144 AZVJQFIQDNVUMP-AWEZNQCLSA-N 391.256 4.027 0 1 GIAF O=C(O)c1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 587183703 HCJLFURNUGBPKN-BQYQJAHWSA-N 390.180 4.036 0 1 GIAF CC[C@@]1(c2cnn(C)c2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342432 NKUHTVVRXUWXIJ-IRLDBZIGSA-N 380.419 4.238 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCCc4c(Br)cccc41)[C@@H](C2)C3=O 587417351 LRSBKRKSECDXFN-YWZLYKJASA-N 385.257 4.437 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCCc4ncc(C(F)(F)F)cc41)[C@@H](C2)C3=O 587423277 TVPFRINYJXXGMF-LIRRHRJNSA-N 375.346 4.088 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)([C@@H](C)N1CCCc4cc(C)ccc41)[C@@H](C2)C3=O 587443212 LLYVNXAIKPOTOO-YIEPVFBUSA-N 377.484 4.351 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(N3CCCC3)ccc1N)CC2=O 587475941 RGBVQPURISSKQN-QHCPKHFHSA-N 380.488 4.408 0 1 GIAF CC(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587581259 VHDJOTATPGKZTA-REWPJTCUSA-N 389.407 4.362 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnn1-c1ccccc1 587582380 PBWZYIYZBVYZSK-NFBKMPQASA-N 384.391 4.281 0 1 GIAF CCO/C=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587707577 VZWHSYIRXVQARJ-OOMMFRSMSA-N 382.195 4.430 0 1 GIAF COC(=O)C[C@H](C)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587783692 YTGQKWFTLNPPFA-SSDOTTSWSA-N 379.176 4.086 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587823722 VUBWUZOVDXWTPY-WBXKNRTHSA-N 382.317 4.135 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN1CCCCCC1 587864378 ZIAAKUFWIBXPOD-UHFFFAOYSA-N 395.425 4.484 0 1 GIAF CC1(C)Cc2c(cnn2-c2ccc(S(C)(=O)=O)cc2)-c2[nH]c3ccccc3c21 621478229 IOQCMPIICCXIMM-UHFFFAOYSA-N 391.496 4.258 0 1 GIAF c1ccc(-c2cnc3c(Nc4ccc(N5CCOCC5)cc4)nccc3n2)cc1 653724791 UXNGTVMJGBIVEX-UHFFFAOYSA-N 383.455 4.272 0 1 GIAF CC(C)c1nn(C)c2c1[C@@H](C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)NCC2 962920542 NEONIHNWJGVIAT-GDBMZVCRSA-N 378.561 4.060 0 1 GIAF C[C@@]1(C[C@@H]2C=CCC2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962926820 VMIWGDMETUXGSU-XFEVJDRUSA-N 379.456 4.355 0 1 GIAF O=C(O)c1cc(Br)c([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)s1 963098484 ICTFAGUJCXBSAB-XHDPSFHLSA-N 396.281 4.458 0 1 GIAF COC[C@@H]1C(=O)O[C@H]2CC(C)=CCC=C(C(=O)OC)CCC=C(C)CC[C@H]21 2356448373 BNSYBIBYECIBTQ-UFYCRDLUSA-N 376.493 4.137 0 1 GIAF COc1ccccc1-c1cnc([C@@H](O)c2cccc(CN3CCCCC3)c2)[nH]1 61906196 LZPREVNMUQFJSH-QFIPXVFZSA-N 377.488 4.153 0 3 GIAF O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 2951086 GQAIPLQSFXPSBO-UHFFFAOYSA-N 396.406 4.475 0 3 GIAF aggregator FC(F)Oc1ccc(-c2nnc3n2[C@H](CCCc2ccccc2)CNC3)cc1 103303068 XZRWDQJUYUQTBS-QGZVFWFLSA-N 384.430 4.214 0 1 GIAF NC(=S)N1N=C(c2ccccn2)C[C@@H]1c1ccc(OCc2ccccc2)cc1 103193245 ZFMDFMIYNQCRIW-OAQYLSRUSA-N 388.496 4.055 0 1 GIAF CC(=O)C1=NN(c2cc(F)ccc2F)C[C@]1(CCCN(C)C)c1ccccc1 28953459 HBHHQROCMYJFKL-JOCHJYFZSA-N 385.458 4.010 0 1 GIAF COC(=O)[C@@H]1[C@@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 27213113 NYWOLUGCSRCGJB-WIYBCGNWSA-N 399.918 4.470 0 1 GIAF CC[C@H](CO)Oc1cc(NC(=O)c2cccc(F)c2)c2ncn(C(C)C)c2c1 61949060 BEBZRPMBQIUXAP-MRXNPFEDSA-N 385.439 4.158 0 3 GIAF COc1cccc(OC)c1-c1c2nccc(-c3ccc(F)cc3F)c2cc[n+]1[O-] 73160480 XWAAUXLCOGNSMI-UHFFFAOYSA-N 394.377 4.498 0 1 GIAF CC(C)NC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(O)c(C(=O)O)c2c1 35086920 VHXQDKTZZXQAFZ-UHFFFAOYSA-N 384.819 4.097 0 1 GIAF N=C(N)c1ccc2[nH]c(-c3ccc4nc(-c5ccc(F)c(F)c5)[nH]c4c3)nc2c1 45495197 OSALDKLIXSLHTJ-UHFFFAOYSA-N 388.381 4.335 0 1 GIAF CC(C)=CC[C@H]1Cc2cc([C@@H]3CC(=O)c4ccc(O)cc4O3)ccc2O[C@H]1O 95486081 CZCONLMTHFNNBM-VSUDMRMVSA-N 380.440 4.325 0 1 GIAF biogenic,in-vitro O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCSC[C@H]3[C@@H]2C(=O)N1c1ccccc1 254077169 LXYBVCDNTFPEED-NLCWTHGUSA-N 388.492 4.291 0 1 GIAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccc(C(F)(F)F)cc2O[C@@H]31 473087349 FEUJCEVKMRGNOB-IBGZPJMESA-N 388.345 4.285 0 1 GIAF COc1cccc2c(CCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12 653797950 VMBUHOAFMYIKNM-UHFFFAOYSA-N 395.466 4.345 0 1 GIAF c1ccc(CNc2nc(NCc3ccccc3)n3nc(-c4ccco4)nc3n2)cc1 653773270 VWEYZPFNBQUCID-UHFFFAOYSA-N 397.442 4.004 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)CCO3)N1 587837142 ZRWBCZXDOFPIBE-NSPYISDASA-N 376.269 4.321 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1c(C)[nH]c3ccccc13)CC2=O 587481753 HPAWCQFYFCVJAY-QFIPXVFZSA-N 379.412 4.080 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccnc1Br)CC2=O 587457689 BBUAAIDGYPLVCS-GOSISDBHSA-N 376.250 4.383 0 1 GIAF O=S(=O)(CCc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc2c(c1)CCC2 586921028 VLVHHUNNARSPOW-UHFFFAOYSA-N 395.311 4.375 0 1 GIAF Clc1[nH]c2ccccc2c1-c1nc2cc(I)cnc2[nH]1 587088370 YQDUIWRWCMYXJA-UHFFFAOYSA-N 394.603 4.364 0 1 GIAF CCC[C@H](C)OC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989830 REMCJNUDFJIOGL-ZDUSSCGKSA-N 375.424 4.426 0 1 GIAF O=[S@@](Cc1nc2ccc(CO)cc2[nH]1)C(c1ccccc1)c1ccccc1 586959185 JHMONEGZXWHESC-MHZLTWQESA-N 376.481 4.094 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)NCc1ccco1 587863467 LAKBYERLFBHGLE-UHFFFAOYSA-N 381.379 4.093 0 1 GIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Br)cc2[nH]1 586963923 SJAFBHYMWDLQID-LBPRGKRZSA-N 379.283 4.373 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(N)CC[C@@]2(C)C3(C)C)N1 587745696 KGCPOVOUYHNYOJ-OKPZZFFVSA-N 381.333 4.245 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2COc3ccccc3O2)N1 587828918 BAPWHQIRLOPAHI-CYXMAGCYSA-N 392.268 4.178 0 1 GIAF COC(=O)[C@@H](C)[C@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587524291 LKRGCSYUPWIHAI-MYYSRTQBSA-N 394.467 4.244 0 1 GIAF Cn1ncc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587584234 ZBRPYHIQNPMKEN-NFBKMPQASA-N 386.407 4.156 0 1 GIAF COc1cncc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587166142 NLIPRCORQXUFRR-UHFFFAOYSA-N 379.420 4.073 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cccnc3[nH]2)c1 587050002 LLNLAIXAKCHVKG-CMDGGOBGSA-N 383.839 4.002 0 1 GIAF COc1cc(N)c(I)cc1-c1nc2ccc(C)c(C)c2[nH]1 587179119 QFTWALVWVGVBOC-UHFFFAOYSA-N 393.228 4.042 0 1 GIAF Cc1cc2c(cc1F)[C@](C)(c1sc3c(c1C)C(=O)N/C(=C\Cl)N3)NCC2 962144414 KOTWZIOLQGCDRK-XOVNIXPASA-N 391.899 4.106 0 1 GIAF Cc1sc2c(c1C)CCN[C@]2(C)c1ccc(O)c(I)c1 963004379 CHJRTZNFXTXUNH-MRXNPFEDSA-N 399.297 4.084 0 1 GIAF CCn1nccc1[C@@]1(C)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816480 CDTGDMLVMKEABS-XMMPIXPASA-N 386.499 4.373 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccc[nH]1)C(Cl)(Cl)Cl 963607669 JWEPKNSYRZKVRV-QLJPJBMISA-N 389.710 4.180 0 1 GIAF CN1[C@H]2CC[C@@H]1CC(=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 13470040 NNRPWFPWLGYDNQ-OYRHEFFESA-N 382.454 4.353 0 1 GIAF COc1cc(F)ccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1 13861810 WUIQAMHNESRRCX-UHFFFAOYSA-N 398.503 4.444 0 1 GIAF CCc1ccc([C@@H]2C[C@@H](c3cc(OC)c(OC)c(OC)c3)n3ncnc3N2)cc1 2915479 DBFVIQYAXSKETO-ROUUACIJSA-N 394.475 4.013 0 1 GIAF N[C@H](COc1cncc2nc(-c3ccncc3)ccc12)Cc1c[nH]c2ccccc12 14957568 DQIXTEDFNFZMCM-SFHVURJKSA-N 395.466 4.122 0 1 GIAF in-vivo CN(Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2)CC1CC1 27325320 IVBUXHBONVHYLJ-UHFFFAOYSA-N 391.906 4.114 0 1 GIAF COc1ccc2c(c1)c(CCCC(=O)O)c(C)n2C(=O)c1ccc(N(C)C)cc1 28119897 VCZXMQJAXOSWNB-UHFFFAOYSA-N 394.471 4.120 0 1 GIAF CO[C@@H](Cc1scnc1C(=O)Nc1nccs1)c1ccc(Cl)cc1 28463323 KJQIFQRGDDYBLM-LBPRGKRZSA-N 379.894 4.436 0 1 GIAF CC(=O)Oc1ccc2oc(C(=O)c3cc4cc(OC(C)=O)ccc4o3)cc2c1 28647216 UACDZFCKAGJOFV-UHFFFAOYSA-N 378.336 4.261 0 1 GIAF in-vivo COc1ccc(Cn2c(Cl)nc3c(-c4ccc(Cl)o4)ncnc32)cc1 28877919 LSMMAKSAAJUQCG-UHFFFAOYSA-N 375.215 4.450 0 1 GIAF CCOC(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 29039041 OQUHEOGMDDNVOX-UHFFFAOYSA-N 395.484 4.496 0 1 GIAF C[C@H](CCC(=O)O)C1=CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 33820968 JWCVBRQHSRBFQY-HZGGBFQVSA-N 390.564 4.398 0 1 GIAF C[C@H]1C[C@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1 40847492 WDVFSNIVMZTNHY-NWDGAFQWSA-N 394.566 4.048 0 1 GIAF COCCn1c(-c2ccc(C)o2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181261 DFMGGDMXVKDDKH-UHFFFAOYSA-N 397.866 4.307 0 1 GIAF CCC1=C(c2nc(C3CCCCC3)c[nH]2)[C@H](c2ccc(O)c(F)c2)NC(=O)N1 84603047 FFUYQONVIRZCKY-IBGZPJMESA-N 384.455 4.477 0 1 GIAF CCCN(CCC)C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2 95589737 GMUVSKSENWOOGW-UHFFFAOYSA-N 391.515 4.065 0 1 GIAF Cc1noc(-c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)n1 103290244 NCOYZGPRWXMZKM-UHFFFAOYSA-N 384.244 4.153 0 1 GIAF CN1CC2CCC1([C@H](NC(=O)c1c(N)cccc1Cl)c1ccccc1)CC2 145654600 DMUSIJAABIIKCS-YOMPXFNTSA-N 383.923 4.268 0 1 GIAF COCCn1cnc2c1-c1ccc(OC)c(c1)OC/C=C/COc1cccc-2c1 169337164 WLMNHVYCQAHXMQ-ONEGZZNKSA-N 392.455 4.200 0 1 GIAF CCCCN(C=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169713952 CHFVUVDSWHAXBF-LXFXUZJTSA-N 388.596 4.477 0 1 GIAF Cc1cc2nc(CSc3ncccc3C(=O)O)[nH]c2cc1Br 586966331 BKKUZZHIRKAPTP-UHFFFAOYSA-N 378.251 4.019 0 1 GIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 586971906 ASRIUUSORFBHAO-OAHLLOKOSA-N 394.422 4.087 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Cl)cc(C)c4[nH]3)cc12 587038889 UPPHLSALGDKJEO-JTQLQIEISA-N 387.896 4.272 0 1 GIAF FC(F)C(F)(F)c1nc2c(Br)ccc(Br)c2[nH]1 587089290 OZVNJCYVTUKDMR-UHFFFAOYSA-N 375.945 4.445 0 1 GIAF Cc1nc2ncc(-c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)c(C)n2n1 587098509 YKQWBAZXQPDUAB-UHFFFAOYSA-N 391.434 4.476 0 1 GIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587197047 HICDHCZBBBITED-SNVBAGLBSA-N 388.265 4.241 0 1 GIAF CCOC(=O)CNc1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 587226667 DUTJLPOLOJYDOO-UHFFFAOYSA-N 381.329 4.363 0 1 GIAF CN(C)CCOc1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587229436 GPSGEBGCJDIMFS-UHFFFAOYSA-N 387.487 4.177 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnn1-c1ccccc1 587582382 PBWZYIYZBVYZSK-OFNKIYASSA-N 384.391 4.281 0 1 GIAF COC(=O)CCCC[C@H](C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596482 VUVYHQKZAJOMHI-RWAHWCJQSA-N 398.455 4.482 0 1 GIAF CC(C)Oc1ncccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587775027 YDHUKWQCEGICPK-GTNSWQLSSA-N 379.273 4.394 0 1 GIAF CCOC(=O)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796364 JWDZBLHEGYOKQE-VOJFVSQTSA-N 386.305 4.317 0 1 GIAF CCc1ccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)s1 587869760 RBQPOSRCEJACNU-UHFFFAOYSA-N 381.379 4.285 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(O)cc(-c2ccccc2)n1 587871488 IWMHNHGAFJYNHG-UHFFFAOYSA-N 376.391 4.240 0 1 GIAF CC(C)(C)OC(=O)N1CCC[C@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1 587875721 LFKPZRHBEPAGNM-LBPRGKRZSA-N 387.411 4.082 0 1 GIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Br)cc4[nH]1)(C3)C2 587950591 SOECGKJMFYJANT-NFAYLAGKSA-N 389.293 4.479 0 1 GIAF CN(C)C(=O)c1ccc(-c2cnc3cnc(-c4ccc5c(ccn5C)c4)cn23)cc1 653758400 UBZTUEWMDPIMEV-UHFFFAOYSA-N 395.466 4.257 0 1 GIAF O=C(CC1CCN(Cc2ccccc2)CC1)NCCc1c[nH]c2ccccc12 653882150 PDZMHDSORBHDFP-UHFFFAOYSA-N 375.516 4.129 0 1 GIAF Cc1cccc2[nH]cc([C@@H]3N[C@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)c12 962634013 JPKZSJMXWGOLPF-FUHWJXTLSA-N 390.361 4.063 0 1 GIAF CC[C@H](C)[C@@]1(C(C)C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963148370 QAGJTWBZUSIBKB-CFZJUORYSA-N 382.526 4.287 0 1 GIAF CCCCC[C@@]1(c2ccc(O)cc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963227253 GDMSHNIBGMEOKH-VWNXMTODSA-N 390.483 4.363 0 1 GIAF O=C(CC(=O)Nc1ccc2c[nH]nc2c1)Nc1ccc(Cl)c(C(F)(F)F)c1 1857564717 PKBRSNPBNAXDFS-UHFFFAOYSA-N 396.756 4.202 0 1 GIAF O=C(NC1CC1)c1ccc(-c2cnc3cnc(/C=C/c4ccccc4)cn23)cc1 1857618815 WCYTXYFMKFNFDL-IZZDOVSWSA-N 380.451 4.459 0 1 GIAF CN1CCN(c2cc(-c3ccncc3)c(-c3ccc4cc(F)ccc4c3)nn2)CC1 1911582108 DWYNWJSIUIDKFP-UHFFFAOYSA-N 399.473 4.250 0 1 GIAF C[C@@H](C=CC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356814119 BXUVIKFICAYYEQ-IJJVPTHTSA-N 390.564 4.254 0 1 GIAF O=C1CN(C(=O)c2c(F)cccc2F)[C@@H](c2ccccc2)c2cc(F)ccc2N1 2456705 XGZGHRDTOYEJRY-NRFANRHFSA-N 396.368 4.288 0 1 GIAF CCc1c(C)[nH]c2c1C(=O)C[C@@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)C2 3951734 RORBQRBRHNFMGK-INIZCTEOSA-N 396.506 4.365 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N1CCOCC1 4216529 VJEUMXHRVYKLRF-RTBURBONSA-N 396.890 4.352 0 1 GIAF CCCc1cc(-c2ccccc2)cc(CCC)[n+]1-c1ccc(S(N)(=O)=O)cc1 27992080 WNEPIMRACQOHSP-UHFFFAOYSA-N 395.548 4.183 0 1 GIAF C/C=C/C=C/C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3OC)c2c1 29473894 UGYHUFIHRMKREA-VNKDHWASSA-N 390.439 4.467 0 1 GIAF CN(C(=S)N1CCC(c2cccc(Br)c2)=N1)C1CCCCC1 40847168 QXHCYKWIGULRLB-UHFFFAOYSA-N 380.355 4.408 0 1 GIAF Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2cccnc2)c2cccnc12 40866150 XGFVMXZAPHWFJT-UHFFFAOYSA-N 399.385 4.177 0 1 GIAF O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)c(Cl)c1 43071223 OJGCUCNESMAFSG-UHFFFAOYSA-N 390.314 4.247 0 1 GIAF CCN(C(=O)c1ccc2c(c1)OCO2)c1ccnc(N[C@@H](C)c2ccccc2)n1 49073425 DREOUPUURXFLBM-HNNXBMFYSA-N 390.443 4.045 0 1 GIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCOc2cc(OC(F)(F)F)ccc21 66098922 CHVBTEZXWRYVOG-CQSZACIVSA-N 392.337 4.107 0 1 GIAF CN1CCC(COCc2cncc(Br)c2)(c2ccccc2)CC1 95589459 DNYAHFKJMPYBQK-UHFFFAOYSA-N 375.310 4.024 0 1 GIAF Cc1c(OCCCCN2CCOCC2)ccc2c(=O)cc(-c3ccccc3)oc12 96271250 RONHWZKWQSMGNP-UHFFFAOYSA-N 393.483 4.260 0 1 GIAF Cc1ccc(-c2c(CN)c(CC(C)C)nc(C)c2C(=O)OCCCC(=O)O)cc1 150017260 SIKIONMLELBHNF-UHFFFAOYSA-N 398.503 4.044 0 1 GIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccs1 169715371 NVMVEZOLTCXCNY-ROUUACIJSA-N 397.496 4.460 0 1 GIAF CCOC(=O)C1=C(c2cccc(F)c2)N=C(C)[C@@H](C(=O)SCC)[C@H]1CC 169721233 AVLRLVTVFLQJOA-HZPDHXFCSA-N 377.481 4.497 0 1 GIAF OC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NCc1cccc(-c2ccc(C(F)(F)F)cc2)n1 216149241 KOJVYWWELKBPMH-BPQOCRPUSA-N 376.422 4.264 0 1 GIAF Fc1ccc(Cn2cc(CCCOc3cccc4cccnc34)nn2)cc1F 299834437 XXSCLRJATNLCHH-UHFFFAOYSA-N 380.398 4.164 0 1 GIAF Cc1cc(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)ccc1Br 586976371 ITORIPHKSPIDQX-UHFFFAOYSA-N 388.309 4.165 0 1 GIAF COc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Cl 587195117 BSEHCOXPPCGYPI-GFCCVEGCSA-N 395.887 4.141 0 1 GIAF CC(C)Oc1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587196944 DEEUFSBYPIMPDN-MRXNPFEDSA-N 389.496 4.266 0 1 GIAF Cc1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c12 587238406 DBIDSGARVVAIDA-ICSGCJEQSA-N 385.508 4.426 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O 587420715 QVVOBGKXUUYBMD-LIRRHRJNSA-N 377.223 4.391 0 1 GIAF CCCc1c(O)ccc2c1O[C@H]([C@H](CNC(=O)OC(C)(C)C)C(C)C)CC2=O 587471602 ULNJZFPACONNJB-APWZRJJASA-N 391.508 4.475 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(N3CCCC3)ccc1N)CC2=O 587475938 RGBVQPURISSKQN-HSZRJFAPSA-N 380.488 4.408 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(OCC)c(OC)c1)CC2=O 587483156 VNIDENNBZIRNOE-SFHVURJKSA-N 386.444 4.467 0 1 GIAF O=C1C[C@H](c2c(F)cccc2N2CCOCC2)Oc2c1ccc1c2CCCC1 587502408 DLOWDQCHZYIEBR-OAQYLSRUSA-N 381.447 4.248 0 1 GIAF O=C(NCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)OCc1ccccc1 587511210 JLWKUGVQCAGDOF-GOSISDBHSA-N 379.456 4.216 0 1 GIAF CN(C)c1nccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541021 CYAMFDVTBUZSCZ-XLIONFOSSA-N 396.830 4.210 0 1 GIAF COc1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587558434 SFMDJZWAWBABNK-WIYYLYMNSA-N 384.334 4.382 0 1 GIAF CCCOc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586757 JPMPIHFPFGAHFR-NQIIRXRSSA-N 377.396 4.279 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(-c3ccccc3)no2)N1 587794548 NBCFHBDICOIPSM-QLJPJBMISA-N 388.240 4.262 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C)(C)[C@H]1CC[C@@]2(C(=O)O)C1 587825681 HWFDYEKLZWGMOU-GDPFPQQOSA-N 396.300 4.229 0 1 GIAF COC(=O)c1ccsc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587847353 WOIHHPPNSJQMFF-RTHLEPHNSA-N 384.270 4.060 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccccc1F 587861127 OHQITTGGYBFXLK-UHFFFAOYSA-N 394.324 4.436 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C)cc(OC)n1 587865897 OFPIAYMMBZOUPW-UHFFFAOYSA-N 378.354 4.064 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1cnn(-c3ccccc3C)c1)N(C)[C@@H](C)C2 962624816 LCVTZVNIMKQBRX-HJPURHCSSA-N 377.488 4.164 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(c1cc(F)ccc1-n1ccnc1)N(C)[C@H](C)C2 962640070 YVDBGVVRMHDAHS-CMJOXMDJSA-N 395.478 4.169 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](c2ccc(F)cc2)(C2CCC2)N1 963228815 JFTIZILGXTYZGQ-FYYLOGMGSA-N 376.431 4.017 0 1 GIAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccccc2C(F)(F)F)cc1OC 1911575899 OJTUSZMRCJTIQM-JKSUJKDBSA-N 394.389 4.297 0 1 GIAF Cc1ccc2nc(CO[C@@H]3CN(Cc4cn(C)c5ccccc45)C[C@H]3F)[nH]c2c1 2356299478 IDCNSLDDQZDXCO-XMSQKQJNSA-N 392.478 4.102 0 1 GIAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356608748 UFUIABFILCOVIM-SUAPAQTQSA-N 394.511 4.181 0 1 GIAF CC1(C)CO[C@]2(C[C@@]34C[C@H]2CC[C@@H]3[C@]2(C)CCCC(C)(C)[C@@H]2C(=O)[C@H]4O)O1 2356781500 ISGRVSGPQTWWAS-CEAXBORRSA-N 376.537 4.091 0 1 GIAF Cc1[nH]n(-c2cc(C(F)(F)F)ccc2Cl)c2nc(C(F)(F)F)nc(=O)c1-2 103668920 KJHOAPJZNTYUPC-UHFFFAOYSA-N 396.678 4.060 0 3 GIAF Cc1cccc(C)c1NC(=O)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 205209127 QUZZGNJIVCVDLM-CJNGLKHVSA-N 387.842 4.363 0 3 GIAF O=C(c1ccc(O)cc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(O)cc1 596587 HJJOEFXQLUXTPC-HSZRJFAPSA-N 384.435 4.367 0 1 GIAF CCCn1c(-c2ccc(F)cc2)nc2c(NCC(C)(C)CN(C)C)nc(C)nc21 7991779 KQEKISUVJCPMKH-UHFFFAOYSA-N 398.530 4.351 0 1 GIAF OC[C@H]1O[C@@H](c2ccc3c(c2)OCO3)C=C[C@@H]1Oc1cc(Cl)cc(Cl)c1 13783162 JONOAXKZHQFNEU-HHXXYDBFSA-N 395.238 4.158 0 1 GIAF CCO[C@]1(C)c2ccoc2C[C@@H]2[C@@H]1CC[C@@]1(O)[C@@]2(C)CCC[C@@]1(C)C(=O)OC 15118812 ZHQLIGJFVLXIBU-VEGVZZKRSA-N 390.520 4.214 0 1 GIAF biogenic Fc1ccc([C@H]2OCO[C@]2(Cn2cncn2)c2ccc(Cl)cc2Cl)cc1 26007102 IYNBKLYQSXFWSV-QZTJIDSGSA-N 394.233 4.365 0 1 GIAF CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N(CC)CCN(C)C)cc1 28762701 MDHKYXCZLYWXMY-HSZRJFAPSA-N 381.564 4.142 0 1 GIAF CC(C)(C)N/C=C1\N=C2CN=C(c3ccccc3)c3cc(Cl)ccc3N2C1=O 38174146 BSBNPXKYLZXDNR-ATVHPVEESA-N 392.890 4.166 0 1 GIAF COc1ccc2[nH]c3c(c2c1)[C@@H]1CCN(C1)[C@H]3C(=O)O[C@@H](C)c1ccccc1 40781691 QOYBOGLFRNMXIM-GZWGPKMKSA-N 376.456 4.325 0 1 GIAF Nc1nc(Nc2ccc(C(F)(F)F)nc2)sc1C(=O)c1ccccc1F 71296497 CXBZUFRMBVLFPL-UHFFFAOYSA-N 382.342 4.253 0 1 GIAF CC(C)Cc1ccc([C@H](C)C(=O)CN2C(=O)C[C@H](Cc3ccccc3)C2=O)cc1 101225600 SIEDODCWJQDLIJ-AVRDEDQJSA-N 391.511 4.176 0 1 GIAF Cc1ccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)cc1 113392159 AIVRYRUTCDXZNB-UHFFFAOYSA-N 395.470 4.410 0 1 GIAF CCN(CC)CCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Cl 118636496 WNMFDPVDFOGTSU-UHFFFAOYSA-N 382.980 4.428 0 1 GIAF CC[C@H](C)C(=O)Oc1ccc([C@@H](O)CNC(C)(C)C)cc1OC(=O)[C@@H](C)CC 149639882 HQLFPHIXYWCPLH-ZOBUZTSGSA-N 393.524 4.011 0 1 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC[C@H](C)c4ccccc4)ncc23)ccn1 261087139 CUWBSWCWQOQRBR-AWEZNQCLSA-N 386.459 4.254 0 1 GIAF Cc1cc(Br)cc2nc(CSc3ncccc3C(=O)O)[nH]c12 586967452 XVKXAIPZEMRNLC-UHFFFAOYSA-N 378.251 4.019 0 1 GIAF CCOc1cc2oc(=O)c(-c3nc4ccccc4[nH]3)cc2cc1Br 587000726 TUUZXZUCPZQIKA-UHFFFAOYSA-N 385.217 4.498 0 1 GIAF FC(F)(F)Oc1ccc2c(-c3nc4nc(Br)ccc4[nH]3)n[nH]c2c1 587126735 FYGBJDYJGUQDBZ-UHFFFAOYSA-N 398.142 4.162 0 1 GIAF COC(=O)c1cccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c12 587198203 BKJLGFRZVWUTES-IBGZPJMESA-N 395.459 4.315 0 1 GIAF Cc1cc(Br)c2[nH]c(CCNC(=O)OCc3ccccc3)nc2c1 587228233 KLVNHJMIJXNRBV-UHFFFAOYSA-N 388.265 4.103 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)c(F)cc1F)[C@@H](C2)C3=O 587424632 QLVDDLZWIZYNFT-VOJFVSQTSA-N 395.199 4.399 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(=N)[nH]c1C(F)(F)F)CC2=O 587464533 SEYFAOLNLFJCBG-INIZCTEOSA-N 386.395 4.113 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OCC)[C@H]1Oc1ccccc1 587480038 MWRGEWBFWIEZSZ-MDNUFGMLSA-N 382.456 4.305 0 1 GIAF COc1ccc(F)c(F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559846 ZRZSDOWPXIVQCX-UTKZUKDTSA-N 384.334 4.382 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(NC(=O)OC(C)(C)C)CC2)N1 587744754 SSHHLLTYYGSVOO-BONVTDFDSA-N 399.304 4.221 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCN2C(=O)OC(C)(C)C)N1 587759857 HRKKSSJPKVNJQI-ZXIHIIQKSA-N 399.304 4.173 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(N3CCCC3)c2)N1 587765593 KIQCPXLXHSXZKI-BUXKBTBVSA-N 390.300 4.207 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3nc2O)N1 587779787 WAGXZSTYFCJJCD-MGNBDDOMSA-N 387.252 4.466 0 1 GIAF CC/C=C/CCOC(=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790761 GITXFISSRZHUGF-SZRIQHFXSA-N 384.289 4.237 0 1 GIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O 587804937 DMSBDILUGGSTJJ-MLCYQJTMSA-N 380.257 4.100 0 1 GIAF COc1ccc(/C=C\Cc2nc3ccc(Br)c(O)c3[nH]2)c(OC)c1 587929140 RPDQTUNADFGZEC-ARJAWSKDSA-N 389.249 4.304 0 1 GIAF CC(C)c1ccc(C(=O)Nc2cccc(COc3cncc(C(N)=O)c3)c2)cc1 653895480 ZTZWGUVAUIDEOV-UHFFFAOYSA-N 389.455 4.135 0 1 GIAF C[C@@]1(c2ccc(S(=O)(=O)C(F)F)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963118999 YLGAHIWZLOSSLG-MGPUTAFESA-N 395.446 4.106 0 1 GIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](CCc2ccc(O)cc2)N1 963187419 UNLUNYHTQJBWTP-IRXDYDNUSA-N 399.796 4.337 0 1 GIAF Cc1ccc([C@@]2(c3ccco3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1C 963219087 CMXKWOAPNKFLGT-WIOPSUGQSA-N 398.462 4.335 0 1 GIAF COc1cccc(CN(C(=O)c2ccccc2)[C@@H](C(=O)O)c2ccccc2)c1 1772642814 UUXTWNPSTXTQDF-OAQYLSRUSA-N 375.424 4.164 0 1 GIAF CN1c2ccc(F)cc2C(=O)N2CCn3c(cc4cc(OC5CCC5)ccc43)[C@H]21 1857567317 SKRHAMKDRRMOHX-QFIPXVFZSA-N 391.446 4.316 0 1 GIAF O=S(=O)(c1ccc(Cl)cc1)N1N=C2CCC[C@@H]2[C@H]1c1ccc(F)cc1 1857573746 MUTKWCOAWULTEF-FUHWJXTLSA-N 378.856 4.381 0 1 GIAF COc1cc(OC)c(OC)cc1CC(=O)c1ccc2c(c1OC)C=CC(C)(C)O2 1857575803 PXXUFFIIMIAHLC-UHFFFAOYSA-N 398.455 4.331 0 1 GIAF Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(N2CC(O)C2)n1 1857768971 HKTNYTUUDGHJJL-UHFFFAOYSA-N 380.517 4.054 0 1 GIAF COC(=O)[C@@H]1CC[C@@H]2[C@]3(C)CCCC(C)(C)[C@@H]3C[C@H](OC(C)=O)[C@]23C=NC[C@H]13 2356579979 JMTFDESUPHRFIQ-UICJWRGCSA-N 389.536 4.041 0 1 GIAF O=C(NCCCN1CCCCC1)c1ccc2c(c1)NC(=O)c1ccccc1S2 5132684 LTPFNIUBEYTRLN-UHFFFAOYSA-N 395.528 4.009 0 3 GIAF O=S(=O)(NCc1ccccc1)c1ccccc1NCc1ccc(Cl)cc1 61944862 MYQPAFYBGMPDGL-UHFFFAOYSA-N 386.904 4.431 0 3 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H](C)CC(=O)O)C(C)=CC[C@@H]2[C@]1(C)CO 13330284 WXXXQWIDGYTIKY-AXLUGCSJSA-N 380.525 4.190 0 1 GIAF O=C(N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21)OCc1ccccc1 13455346 FVDAKKSMPCAEBA-LSDHHAIUSA-N 395.242 4.230 0 1 GIAF COc1ccc(-n2nc(-c3ccncc3)c(-c3ccc(F)cc3)n2)cc1OC 13489716 DAQVSIVWFOBCLY-UHFFFAOYSA-N 376.391 4.153 0 1 GIAF COc1ccc2c(c1)C[C@@H](n1c(CCNCc3ccccc3)c[nH]c1=S)CO2 13681210 AMHOPCZYGXZAKW-LJQANCHMSA-N 395.528 4.063 0 1 GIAF COc1cc2cc3c(c(O)c2c2c1C=CC(C)(C)O2)C(=O)C[C@](C)(OC(C)=O)C3 14883297 DGSRXKGBZHMWTF-HSZRJFAPSA-N 396.439 4.189 0 1 GIAF biogenic O[C@H](CNCCC1c2ccccc2Oc2ccccc21)COc1ccccc1 26402906 UNPADGJRWPUROV-GOSISDBHSA-N 375.468 4.344 0 1 GIAF CN1CC=C(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccccc23)CC1 28130446 FPRZVIQCJRSZQP-UHFFFAOYSA-N 386.904 4.251 0 1 GIAF CCN(c1ccc(-c2csc(-c3ccnc(Cl)c3)n2)cc1)S(C)(=O)=O 30447370 ZTSKMJBTTUMSPI-UHFFFAOYSA-N 393.921 4.311 0 1 GIAF COc1ccc([C@@H]2CC(Nc3nc4ccc(C)cc4s3)=NN2C(C)=O)cc1O 45260115 NZEHWWJFXZWGPK-HNNXBMFYSA-N 396.472 4.038 0 1 GIAF CC(C)CCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 49069975 RIOGGQLIXYALOI-UHFFFAOYSA-N 386.561 4.207 0 1 GIAF Cn1c(=O)c(Nc2ccc(F)cc2)cc2cnnc(-c3ccc(F)cc3F)c21 64426564 XNBPLUFEJLLDJO-UHFFFAOYSA-N 382.345 4.156 0 1 GIAF CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4ccoc34)n2)c1 64526634 URINSIYUETWWNG-UHFFFAOYSA-N 380.429 4.114 0 1 GIAF CNC(=O)c1cccc2c1c(Sc1ccc(Cl)cc1)c(C)n2CC(=O)O 73196391 HJYPGIVRQSXSLB-UHFFFAOYSA-N 388.876 4.199 0 1 GIAF O=C(O)CCCCNC(=O)c1ccccc1NC(=O)c1ccc2ccccc2c1 169333668 VLCVGZJISDPOCZ-UHFFFAOYSA-N 390.439 4.077 0 1 GIAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)C1 299845492 AXJXHEHQTGYGND-MBSDFSHPSA-N 392.547 4.068 0 1 GIAF Cc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c(C)s2)cc1 587013450 XFQNRSVACCLEQD-UHFFFAOYSA-N 376.441 4.301 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3c(C)ccc(C)c3[nH]2)cc1 587044004 XDTYAUZIZDRTBT-KRWDZBQOSA-N 381.501 4.466 0 1 GIAF CC(C)(C)c1cccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587204450 YSGIIAHZKVNCMK-QGZVFWFLSA-N 395.459 4.303 0 1 GIAF C[C@]1(c2cc(Cl)ncn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334845 ZJEWQGPLYFLLNO-UYAOXDASSA-N 384.794 4.249 0 1 GIAF Cc1n[nH]c(C)c1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346126 LFJKYAZELCQCTO-IRLDBZIGSA-N 380.419 4.232 0 1 GIAF CC1(C)[C@H]2C[C@@H]1[C@](C)(O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346814 AJVUKXMVTFSSAH-HKHSSWLGSA-N 396.458 4.446 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)c(Br)c1F)O2 587381835 LYILTIVSAQFNBV-KRWDZBQOSA-N 382.204 4.499 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c(F)cc1F)[C@@H](C2)C3=O 587424754 UEXMOWAAICIPRJ-DYZYQPBXSA-N 381.172 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4N[C@@H]1c1ccccc1)[C@@H](C2)C3=O 587440713 QCYARLARYOYWMM-UODBTFMRSA-N 397.430 4.231 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C(F)(F)F)cccc21 587464469 RCDRJKTXBASCRF-IBGZPJMESA-N 391.345 4.176 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587480001 VVCHJBMQZAGOMF-CRAIPNDOSA-N 375.465 4.078 0 1 GIAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1NC(C)=O 587511625 MIUGXCBQHPZHES-QHCPKHFHSA-N 379.456 4.413 0 1 GIAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc(N2CCCCC2)n1 587513237 IXVQFGMZSIZSTL-OAQYLSRUSA-N 377.488 4.361 0 1 GIAF COc1ccc2[nH]c(C(=O)O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587526257 QKRJWLGZKNQZRL-LJQANCHMSA-N 391.423 4.460 0 1 GIAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587531266 JZQCOLHDBGBRCN-HSZRJFAPSA-N 376.408 4.095 0 1 GIAF COc1ccc(F)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587556802 KFZRYRKTUCAIQQ-UGKGYDQZSA-N 380.371 4.417 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Cn1cccn1 587581520 LUGBMAMGDBTRGM-XUZZJYLKSA-N 398.418 4.340 0 1 GIAF COC(=O)c1cc(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594976 QFHFKWRSNXJFRO-DENIHFKCSA-N 390.391 4.190 0 1 GIAF Cc1ccccc1NCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659755 CCVIGRJQXUSITR-UHFFFAOYSA-N 387.414 4.263 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(N3CCCC3)c2)N1 587769237 YJNKPQPAAAYXIJ-CWTRNNRKSA-N 390.300 4.207 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2cccnc2)N1 587771340 BWXGKOPSTSYSJW-BBATYDOGSA-N 377.257 4.006 0 1 GIAF CCOC(=O)CC1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587792713 CGJIOSRKQJNZFU-GLIABKTBSA-N 398.316 4.461 0 1 GIAF CCC[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800277 WOWZHYJCCVTXNM-BVRBVLIYSA-N 386.305 4.317 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3nsnc23)N1 587859649 YBEDYGXAAVMIGR-AYVTZFPOSA-N 378.270 4.217 0 1 GIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587925987 FARBGANIPXHRNE-QGZVFWFLSA-N 383.492 4.062 0 1 GIAF COc1ccc(/C=C\Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(OC)c1 587928422 BWTZUZMKWZGLNF-HYXAFXHYSA-N 378.407 4.161 0 1 GIAF Cc1c([C@@]2(C)NCCc3ccc(F)c(C)c32)sc2c1C(=O)N/C(=C/Cl)N2 962149531 WVICEOOVDQZWGB-RNNBRSHQSA-N 391.899 4.106 0 1 GIAF CC(=O)Nc1ccc(Br)cc1[C@]1(C)NCCc2ccc(F)c(C)c21 962297487 JIKSZKPXMKHLAL-IBGZPJMESA-N 391.284 4.264 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccc(O)c(Cl)c2Cl)N1)C(F)(F)F 962768627 RLHMPMVKQACUCC-NHYWBVRUSA-N 390.188 4.434 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OCC4CC4)ccc3C2)cc1 1772578015 KVTKJOKBXOLQIG-KRWDZBQOSA-N 378.516 4.231 0 1 GIAF COc1cc(Nc2ncnc3ccc(C(F)(F)F)cc23)cc(OC)c1OC 1857547601 OGYXEJMRZBYWMY-UHFFFAOYSA-N 379.338 4.418 0 1 GIAF O=C(Nc1ccc(Nc2nccc(=NC3CCCC3)[nH]2)cc1)NC1CCCCC1 1911582582 SBVXVFSOIMALOF-UHFFFAOYSA-N 394.523 4.451 0 1 GIAF CC1(C)CO[C@]2(C[C@@]34C[C@H]2CC[C@@H]3[C@]2(C)CCCC(C)(C)[C@H]2C(=O)[C@@H]4O)O1 2356781502 ISGRVSGPQTWWAS-KHOIAIOJSA-N 376.537 4.091 0 1 GIAF Cc1cccc(C)c1NC(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 205209089 QUZZGNJIVCVDLM-CZUORRHYSA-N 387.842 4.363 0 3 GIAF COc1ccc(NS(=O)(=O)c2c(F)c(Cl)c(F)c(Cl)c2F)cc1 1996295 JAOHKGJZZPPKCS-UHFFFAOYSA-N 386.178 4.220 0 1 GIAF COc1ccccc1CNC(=O)C1(NC(=O)Nc2ccc(C)cc2)CCCCC1 4967921 HOXCIEGNFDSDLZ-UHFFFAOYSA-N 395.503 4.144 0 3 GIAF CCN1c2ncc(OCc3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21 6385152 YSOORCJLQNLHPL-UHFFFAOYSA-N 394.862 4.457 0 1 GIAF CCc1nc2n(c1C(=O)N(CC)CC1CC1)CCN2c1c(C)cc(C)cc1C 28331927 IAUZRRKTDSNUCY-UHFFFAOYSA-N 380.536 4.395 0 1 GIAF COc1ccc(OC)c([C@H]2CC(c3cc4ccccc4nc3C)=NN2C(C)=O)c1 103273625 XHJOJYFSEFIIPJ-JOCHJYFZSA-N 389.455 4.258 0 1 GIAF NCCCSC[C@@H](COc1ccc(-c2ccccc2)cc1)SCCCN 27655940 JLGWTADYOJMCGU-OAQYLSRUSA-N 390.618 4.265 0 1 GIAF O=C1CCCN1CCc1ccc(C2=CC[C@H]3CN(Cc4ccccc4)C[C@H]23)cc1 29127946 ZBSRSMRKEMXADB-ZCYQVOJMSA-N 386.539 4.387 0 1 GIAF CCN1CCCCC[C@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 28242743 QHUAVXDRCSLDHT-FQEVSTJZSA-N 390.549 4.421 0 1 GIAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(C)cc1 61923676 JOAXJGDCRUOOCX-VJBWXMMDSA-N 382.552 4.393 0 3 GIAF O=C(COCc1ccncc1)N1CCC(c2ccc(Cl)cc2Cl)CC1 64559873 MSZAMNQPWRCIKI-UHFFFAOYSA-N 379.287 4.311 0 1 GIAF CC(=O)O[C@@H]1[C@@H]2c3c(ccc4c(=O)cc(-c5ccccc5)oc34)O[C@H]2OC1(C)C 1607778 XTIQPKJOGKMOSY-NNWRFLSQSA-N 392.407 4.003 0 1 GIAF biogenic CS(=O)(=O)c1ccc(/C(=C\CC2CCCC2)C(=O)Nc2nccs2)cc1 38446842 COSUEEHOZUFBOZ-GZTJUZNOSA-N 390.530 4.149 0 1 GIAF Cc1ncccc1[C@H](OC1CN(C(=O)N2CCCCC2)C1)c1ccc(Cl)cc1 73275769 MHHLAYLURKGANI-OAQYLSRUSA-N 399.922 4.440 0 1 GIAF CSc1nc(Cl)cc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)n1 73157200 FGKLOLHFTQCZNI-CYBMUJFWSA-N 390.292 4.423 0 1 GIAF COCCn1c(-c2ccccc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82187653 YNGBYANPLNNWBD-QGZVFWFLSA-N 387.487 4.355 0 1 GIAF CCCCCNC(=O)[C@H](C1CC1)n1c(=O)c(-c2ccccc2)nc2ccccc21 95569961 YNYROUWNIOXSMB-QFIPXVFZSA-N 389.499 4.321 0 3 GIAF Clc1cnccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1 96168791 MFYIOLZNZUYWFD-UHFFFAOYSA-N 389.846 4.008 0 1 GIAF CCCCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790256 FBFPRLMIKCWKGY-KZULUSFZSA-N 386.305 4.461 0 1 GIAF Cc1cc(Br)c2[nH]c([C@H](N)Cc3c[nH]c4ccc(F)cc34)nc2c1 587175707 ZKFMSEFWSJGETA-CQSZACIVSA-N 387.256 4.497 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C)c(C)c3[nH]2)cc1 587044007 XHJDPOYRYZLMAY-SFHVURJKSA-N 381.501 4.466 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1cc(Cl)cn1 587861276 QEPVVRRKBJTVHO-UHFFFAOYSA-N 398.772 4.158 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccccc1Cl)CC2=O 587458987 AVGBYGSTCYQASZ-NRFANRHFSA-N 388.847 4.422 0 1 GIAF COc1ccc(-c2nc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cs2)cc1 587450954 MJFAWIBEFDQQLP-FOIQADDNSA-N 379.437 4.316 0 1 GIAF CCN(C)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587739368 GOFVLAMWVVBIKA-BBATYDOGSA-N 378.289 4.063 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc5c(c4[nH]3)CCCC5)cc12 587037579 KJLVWFOBENRMJO-GFCCVEGCSA-N 393.516 4.189 0 1 GIAF CSc1ncc2c(n1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992907 AJDUSVVHBHLKCK-UHFFFAOYSA-N 397.459 4.429 0 1 GIAF COc1nccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586959134 IUGPJOCIWNJRMH-HHHXNRCGSA-N 377.469 4.005 0 1 GIAF COc1ccc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)[nH]c2n1 587928194 ZRSNAEBZPNYEEE-UHFFFAOYSA-N 377.400 4.023 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(-c3ccccc3)no2)N1 587793193 KGNSPUHBPGERAN-HWPZZCPQSA-N 388.240 4.262 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(-c3ccccc3)no2)N1 587794542 NBCFHBDICOIPSM-HWPZZCPQSA-N 388.240 4.262 0 1 GIAF Cc1ncc(-n2c(O)cc(-c3ccccc3Cl)c2O)nc1Br 587940720 LDMYAFPODKQMLF-UHFFFAOYSA-N 380.629 4.070 0 1 GIAF CCOC(=O)[C@@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587526975 SMHQQJSACAUYAE-DEOSSOPVSA-N 389.451 4.471 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)(c1ccc(Cl)cc1)CC2=O 587462007 MJQVIDLUKSCGSE-NRFANRHFSA-N 388.847 4.422 0 1 GIAF COc1cc2c(cc1F)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587729145 GIQNRJRXGGQFPR-APBUJDDRSA-N 394.259 4.460 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(NC(=O)OC(C)(C)C)CC2)N1 587744752 SSHHLLTYYGSVOO-BMIGLBTASA-N 399.304 4.221 0 1 GIAF CCOC(=O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 587532028 MJELUQPEYOLMDO-DEOSSOPVSA-N 390.435 4.266 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]2NC(=O)OC(C)(C)C)N1 587742075 JFJMUEDQFWAQPI-QEIWDELWSA-N 399.304 4.005 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2-c2ccccc2)N1 587755619 BCJUQBRFJYDVDO-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(CC)nc(-c2ccccn2)n1 587871115 AGUNYGCTMCBZKY-UHFFFAOYSA-N 389.434 4.492 0 1 GIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c(C)n(C)n(-c2ccccc2)c1=O 963243579 SRMMNBWLUSWGOG-SBUREZEXSA-N 375.516 4.230 0 1 GIAF CN1C(=O)[C@]2(c3ccc(F)cc3C[C@@H]3CCCN32)c2cc(Cl)cc(Cl)c21 963114700 WFHSKPSCFBMYBX-XOBRGWDASA-N 391.273 4.373 0 1 GIAF Cc1cc2[nH]c(C(=O)CCCC(=O)O)c(CCc3ccccc3)c2cc1C(=O)O 1772612593 JTDHYCSDPLWLEE-UHFFFAOYSA-N 393.439 4.397 0 1 GIAF COc1cc([C@@H]2[C@@H]3C=CC=C4CC=CC(=C43)[C@H]3CCC(=O)N23)cc(OC)c1OC 5922959 UZISGKOETGDJKE-PMAPCBKXSA-N 391.467 4.127 0 1 GIAF CC(=O)N1c2ccc(C)cc2[C@H]2CN(CCCC(=O)c3ccc(F)cc3)CC[C@H]21 169331291 BIFQSVSSXVTMQB-FYYLOGMGSA-N 394.490 4.322 0 1 GIAF CCN(Cc1cc(F)ccc1-c1cn(CC(=O)O)c2ccccc12)C(=O)C1CC1 208605205 XHSAFCKXDOCODN-UHFFFAOYSA-N 394.446 4.291 0 1 GIAF COc1cc([C@@H]2c3cccc4cccc(c34)[C@@H]3CCC(=O)N32)cc(OC)c1O 1654638 JQULMCAJNKZANR-HTAPYJJXSA-N 375.424 4.329 0 1 GIAF CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(Cl)cn2)[C@H]1c1cccs1 6875282 NYZOSBLGRGWUQP-QZTJIDSGSA-N 397.887 4.346 0 1 GIAF O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 101003507 AOAZPUWLTLFVEI-QQXRRDQMSA-N 375.268 4.036 0 1 GIAF COc1cccc(-c2cc3nc(NCc4ccccc4F)n(C)c(=O)c3s2)c1 61904795 LPPHXRWPILLZQU-UHFFFAOYSA-N 395.459 4.422 0 3 GIAF CS(=O)(=O)c1nc(-c2ccc(F)cc2)c(-c2ccc(C(F)(F)F)cc2)[nH]1 28220302 UPMUXXFTEAEENA-UHFFFAOYSA-N 384.354 4.305 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)ccc31)[C@@H]1CC[C@H](C2)N1 72316665 DCGVXRIATHGRTP-DYVFJYSZSA-N 386.904 4.014 0 1 GIAF c1ccc(Cn2nnnc2CNCCC(c2ccccc2)c2ccccc2)cc1 73168596 ZHYCFASNRHNSMP-UHFFFAOYSA-N 383.499 4.033 0 1 GIAF Cc1cc(-c2cc(F)cc(F)c2)ncc1[C@H]1CCCN1C(=O)c1cnccn1 72176660 UVXYVSZVIGUGKP-HXUWFJFHSA-N 380.398 4.103 0 1 GIAF CCCc1cn(C)nc1-c1ccnc(Nc2ccc(-n3nc(C)nc3C)cc2)c1 71340771 LPVMAESUPSOGDY-UHFFFAOYSA-N 387.491 4.376 0 1 GIAF CC(C)(C)c1cc(NC(=O)Nc2ccc(C(=O)Nc3ccccn3)cc2)no1 49032539 PFDQUEBOFMXKRP-UHFFFAOYSA-N 379.420 4.263 0 1 GIAF Cc1nc2ccc(NC3CCOCC3)cc2n2c(-c3ccccc3Cl)nnc12 95593129 YDOZLNHCYOKRDQ-UHFFFAOYSA-N 393.878 4.497 0 1 GIAF COc1cc2ncnc(Nc3ccc(Br)cc3)c2c(OC)c1OC 96916666 AGUHDFYFHVJTTM-UHFFFAOYSA-N 390.237 4.162 0 1 GIAF COc1cc(OC)c([C@@H]2CCCc3cc(OC)c(OC)c(OC)c32)cc1OC 238774490 WWCBCIRRNKHDOI-AWEZNQCLSA-N 388.460 4.206 0 1 GIAF C[C@@H]1C[C@H]1C(=O)Nc1snc(-c2ccc3nn(C)cc3c2)c1-c1ccccn1 95587996 TXNDLRUNCXZKOT-IUODEOHRSA-N 389.484 4.353 0 1 GIAF COc1cc(-n2c(-c3cccc4cc[nH]c34)cccc2=O)cc(OC)c1OC 96929957 JLNRNSQOVFYTQA-UHFFFAOYSA-N 376.412 4.012 0 1 GIAF COc1ccc(-c2cc(C(=O)N3CCN=C3Cc3ccccc3)co2)cc1OC 621431137 PPFNPBVPIYZBKR-UHFFFAOYSA-N 390.439 4.061 0 1 GIAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c(Cl)c1 653733787 URJRCICJSDOPRN-OKILXGFUSA-N 386.835 4.173 0 1 GIAF Cn1nc(C(C)(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580778 JGDSKJCXVPVNPI-NQIIRXRSSA-N 378.428 4.126 0 1 GIAF COc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1F 587183972 MSCNVVLZVRLGQL-AATRIKPKSA-N 394.187 4.486 0 1 GIAF O=C1C[C@@H](c2cnc3cnc(Br)cn23)Oc2c1ccc1c2CCCC1 587500275 VVCNOVSSHVBLGO-INIZCTEOSA-N 398.260 4.077 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3n[nH]cc32)N1 587799158 WRRAQDQGZGTBDM-YPMLDQLKSA-N 378.289 4.062 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(O)c(F)c2)N1 587721754 QNTXPIXVSOXOQJ-CQLKUDPESA-N 386.211 4.370 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 586916870 PFEFYJVCWXGWRY-XIKOKIGWSA-N 375.350 4.193 0 1 GIAF Cc1nccn1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339225 FMNKPPNQGBJWFV-IFMALSPDSA-N 380.419 4.244 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc4c(Br)c[nH]c4c1)[C@@H](C2)C3=O 587418707 UZOLZNOHIHWWDE-ORAYPTAESA-N 384.229 4.428 0 1 GIAF O=C(O)CCc1ccc(-c2cccs2)n1-c1ccnc(Br)c1 587939603 GWPSLDQAMDTDQP-UHFFFAOYSA-N 377.263 4.381 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C(F)(F)F)nc2)N1 587710148 BVNDBFMLBVBMNI-WPPNPWJKSA-N 390.178 4.021 0 1 GIAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CO 587801712 NBYYWMCUTRVHFO-WLRWDXFRSA-N 394.284 4.103 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)C(C)(C)C 587205495 RRCZPGMBBSTGJX-KRWDZBQOSA-N 389.496 4.206 0 1 GIAF COc1cccc(-c2cc(CN3CCN(C)CC3)nc3c2oc2ccccc23)c1 587362583 HTCFRNDRJMAXIW-UHFFFAOYSA-N 387.483 4.404 0 1 GIAF CC(C)c1nn(C)c2c1[C@H](c1nc3cc(Br)ccc3s1)NCC2 962921428 TWZQNEBMZVQSSF-MRXNPFEDSA-N 391.338 4.151 0 1 GIAF COc1ccc(F)cc1[C@@]1(C[C@@H](C)CC(=O)O)NCCc2cc(Cl)ccc21 963391651 WCKBMDNRSDDXNN-ZSEKCTLFSA-N 391.870 4.378 0 1 GIAF C[C@]1(C[C@H]2C=CCC2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962926819 VMIWGDMETUXGSU-VSUDMRMVSA-N 379.456 4.355 0 1 GIAF C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@]12NCCc1cc(Cl)ccc12 963391425 SVLSUKUNELBMMB-ZHRRBRCNSA-N 384.907 4.360 0 1 GIAF Cc1nn(Cc2ccc(-c3nc4cccc(C)c4[nH]3)cc2F)c(C)c1CC(=O)O 1772648204 VPKPPAGKHOKCJY-UHFFFAOYSA-N 392.434 4.166 0 1 GIAF Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)[nH]n1 11661552 IKBRDQWGXWXGCB-SFHVURJKSA-N 389.455 4.246 0 3 GIAF CS(=O)(=O)c1ccc(-c2cc3c(cc2C(=O)C2CCCCC2)OCO3)cc1 13530413 UQLRDELKINLTSD-UHFFFAOYSA-N 386.469 4.249 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc(OC(F)F)cc1 167311052 OPDJWYZBEUMZKV-CJNGLKHVSA-N 391.414 4.415 0 1 GIAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3ccnc3Cl)cc2n1 205639860 GNTKVRBKZSNXHG-UHFFFAOYSA-N 380.810 4.038 0 1 GIAF FC(F)(F)Cc1cc2c(NC3CCN(Cc4ccco4)CC3)ncnc2s1 1857584301 NEQDITGBQUFLDA-UHFFFAOYSA-N 396.438 4.466 0 1 GIAF CNC(=O)C=Cc1c[nH]c(=N)c2c(-c3ccc4sc(C)nc4c3)csc12 1857623808 XNEPVLVYFUGJLF-UHFFFAOYSA-N 380.498 4.053 0 1 GIAF COc1ccc(-c2cc3c(=N[C@H](CCO)c4ccccc4)nc[nH]c3s2)cc1 1857635809 ZUGXPJMQFRAGHH-LJQANCHMSA-N 391.496 4.324 0 1 GIAF C[C@@H](N=c1cc(N[C@H](C)C2CC2)[nH]c(-c2cccc(C(F)(F)F)n2)n1)C1CC1 1857764063 MEKMADZCSPFPMP-VXGBXAGGSA-N 391.441 4.400 0 1 GIAF C[C@]1(O)CC(=O)O[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1 13730468 ZHHBFCYFYVLXKD-VGOFRKELSA-N 394.496 4.292 0 1 GIAF CCN1CCc2cc(OC)cc(Br)c2[C@@H]1Cc1ccccc1O 13805164 TYEIZCYTFJEVNL-KRWDZBQOSA-N 376.294 4.325 0 1 GIAF COc1cc(C[C@H](C)[C@H](C)[C@@H](OC(C)=O)c2ccc3c(c2)OCO3)ccc1O 14646548 PKUUYHBOLBVMTE-FBJOKTGGSA-N 386.444 4.249 0 1 GIAF biogenic O=C1Nc2ccccc2C(c2ccccc2)=N[C@@H]1NCCc1c[nH]c2ccccc12 26294621 LDENWABUYQBHOJ-DEOSSOPVSA-N 394.478 4.116 0 1 GIAF O=C(Nc1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1)C1CCOCC1 28570345 RWOFIHYHMILOTJ-UHFFFAOYSA-N 392.434 4.391 0 1 GIAF Cc1cncn1CCCN1Cc2cc(Cc3ccccc3)sc2NC1=S 45253193 UQCIRXOGINVNMD-UHFFFAOYSA-N 382.558 4.447 0 1 GIAF COc1ccc([C@@H](Cc2ccc(C(F)(F)F)cc2)c2cn(C)c(N)n2)cc1 45261090 DVSAFYDQSGWQHQ-QGZVFWFLSA-N 375.394 4.404 0 1 GIAF CCOC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(C)cc1 100705403 LHBGMYJZDCHNLJ-UHFFFAOYSA-N 393.468 4.195 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(\O)OCC)[C@@H]1c1ccc(Br)o1 102335078 RTTCPVGYQYMILG-WSTOHFRZSA-N 398.253 4.243 0 1 GIAF Cc1nnc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCC(O)CC3)c2)o1 115621027 JCJPTNWSXJYHNK-UHFFFAOYSA-N 389.455 4.145 0 1 GIAF CC(C)(C)OC(=O)N1CC[C@@H](c2nc(-c3cnc(-c4ccccc4)nc3)c[nH]2)C1 145206461 RWVRGUVVRCJSHW-MRXNPFEDSA-N 391.475 4.258 0 1 GIAF O=c1cc(C(F)(F)F)nc2c(-c3ccc(Cl)cc3)c(C(F)(F)F)[nH]n12 169724626 ZKSKYSLVVDEIEE-UHFFFAOYSA-N 381.663 4.381 0 1 GIAF COc1ccc2c(c1)CC[C@@]1(CCCCN1CCc1ccccc1OC)C2=O 207875989 GCDYGKBRAGWHFK-DEOSSOPVSA-N 379.500 4.300 0 1 GIAF COc1cc2c(c(OC)c1OC)[C@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 219425510 ZLKDFZIQKNAZBY-JTQLQIEISA-N 382.243 4.493 0 1 GIAF Cc1cc(N2C[C@@H]3C[C@@H]4CCCN4[C@H]3C2)ccc1NC(=O)c1cc(F)ccc1C 299845185 OZIJFYRIQYIVKS-NYDSKATKSA-N 393.506 4.368 0 1 GIAF Clc1ccnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc12 587018516 FQJCFNQTRYRGMQ-UHFFFAOYSA-N 384.848 4.097 0 1 GIAF CC1=C(c2ccc3[nH]c(-c4ccc(-c5nccs5)s4)nc3c2)NNC(=O)C1 587024165 OVLGZGCLWBWTDI-UHFFFAOYSA-N 393.497 4.170 0 1 GIAF CN(C)CCOc1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029046 FOBRXJUTWZSUMX-UHFFFAOYSA-N 394.500 4.206 0 1 GIAF Cc1ccc2c3c(cc(CC(=O)Nc4nccs4)nc13)-c1ccccc1C2=O 587100968 BTZCWGXBGAVBOL-UHFFFAOYSA-N 385.448 4.392 0 1 GIAF FC1(F)Oc2cc3nc(Cn4nc(C(F)(F)F)cc4C4CC4)[nH]c3cc2O1 587117693 IMFOIYBQTTWWBA-UHFFFAOYSA-N 386.280 4.025 0 1 GIAF NCc1cccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587246861 XJRCVWFJSXCWNR-UHFFFAOYSA-N 386.171 4.350 0 1 GIAF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccn1 587338229 NKASEJOLRTWKBO-UNMCSNQZSA-N 379.387 4.209 0 1 GIAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1O 587377616 NWSNRJRIKFFLPW-OAHLLOKOSA-N 392.249 4.151 0 1 GIAF COc1cc2c3c(c1)O[C@@](Cc1ncc[nH]1)(c1ccc(Cl)cc1F)[C@@H](C2)C3=O 587428221 YBTLXPWYGFKBNC-BTYIYWSLSA-N 398.821 4.096 0 1 GIAF O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccncc21 587515748 QOTIUHLMRYTDIZ-RUZDIDTESA-N 381.431 4.414 0 1 GIAF C[C@H](N(C)C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574195 VUFLGXZNNIOOCL-SWDVRCMSSA-N 389.451 4.199 0 1 GIAF CCN(CC)c1ccc(-c2nn(C(=O)C3CCC3)c(=O)c3ccccc23)c(O)c1 587665632 SYSQXLAEDGNLQT-UHFFFAOYSA-N 391.471 4.056 0 1 GIAF CCOC(=O)C[C@]1(CC2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587793392 DTEHQEHKMGAPRW-ZMZPIMSZSA-N 384.289 4.071 0 1 GIAF COC(=O)CC1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587805155 GXZAUYQVBUEASO-VQQRXRCHSA-N 384.289 4.071 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@]1(C)CC[C@H]2C1(C)C 587817551 MGADWBINPZIUPX-CZZIFTSRSA-N 380.301 4.343 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2CCC(=O)O)N1 587826100 GHWBBZOFYXWOPM-YNKQFZHNSA-N 384.289 4.373 0 1 GIAF COC(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587847539 LGTIFYWKCHPAPH-HUTHGQBESA-N 398.297 4.234 0 1 GIAF Cc1cc(C)n(Cc2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)o2)n1 587876718 XGMFKGQLRTYFLP-UHFFFAOYSA-N 378.363 3.938 0 1 GIAF COc1cccc(-c2cc(O)cc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)c1 587933647 UIIJGRODLPVHEW-UHFFFAOYSA-N 386.333 4.372 0 1 GIAF O=C(c1cccc2ccccc12)N1CCC(n2nc(-c3ccccc3)oc2=O)CC1 653723323 ROFWXNDXUHNJBK-UHFFFAOYSA-N 399.450 4.134 0 1 GIAF CCCc1nnc(-c2ccc([C@H]3N[C@@H](C)Cc4c(OC)ccc(OC)c43)cc2)o1 963583954 RTKPSMFMYVIFMP-RCDICMHDSA-N 393.487 4.330 0 1 GIAF COc1cc(C(=O)c2cccc(-c3ccc(C(C)=O)cc3)n2)cc(OC)c1OC 1857549678 SCDWBJNMZXZSJH-UHFFFAOYSA-N 391.423 4.208 0 1 GIAF Cc1noc(C)c1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(-c2cc[nH]n2)cc1 1857570931 AKSNYNJHAYPMMV-QZTJIDSGSA-N 392.459 4.309 0 1 GIAF COc1ccc(Nc2cc3c(cn2)nc(-c2ccc(OC)c(OC)c2)n3C)cc1 82083105 IIURDGJOYCMHSV-UHFFFAOYSA-N 390.443 4.405 0 3 GIAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccc(F)c2)cc1 13762102 QCQYWHNLZXADIL-UHFFFAOYSA-N 384.354 4.101 0 1 GIAF COc1cccc2c1O[C@@H](CN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)CN2 13916881 BPBCGWPBILSOFV-QGZVFWFLSA-N 393.462 4.278 0 1 GIAF CCCN(CC1CC1)c1cc(Cc2c(OC)cc(OC)cc2OC)nc(C)n1 28364261 YBSLSRNODKPYCP-UHFFFAOYSA-N 385.508 4.028 0 1 GIAF NC(=O)[C@@H](NCc1ccc(OCc2cccc(Cl)c2)cc1)c1ccccc1 28711479 UGAZPYAMTAVKDF-NRFANRHFSA-N 380.875 4.235 0 1 GIAF CC(C)Oc1ccc(C(=O)N(CCc2ccccc2Cl)[C@@H]2CCNC2)cc1 28823599 WKBLWULSQKTKRQ-LJQANCHMSA-N 386.923 4.174 0 1 GIAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc4ncccc4c3)C[C@H]1C=N2 43200380 IWVNYWQNPQXEPO-KRWDZBQOSA-N 385.423 4.224 0 1 GIAF C[C@@H]1c2c[nH]nc2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 45256345 OTXHDBQTORDBPA-SNVBAGLBSA-N 377.828 4.139 0 1 GIAF CCCCNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085390 WNTOAWQWWFRJPN-FQEVSTJZSA-N 391.471 4.016 0 1 GIAF CC(C)CNc1ncnc2c1nc(-c1ccc(Cl)cc1)n2C[C@H]1CCCO1 82177858 RWUKHIWUDMFCGM-MRXNPFEDSA-N 385.899 4.394 0 1 GIAF O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)O)c1cccc(F)c1 84708981 NURAZTMCVVNBMC-UHFFFAOYSA-N 378.359 4.029 0 1 GIAF CC1(C)CCC[C@@]2(C)[C@H]1C[C@H](O)[C@H]1C[C@@H](OC(=O)CC(=O)O)[C@@]3(C)CC[C@]12C3 85998960 DJKCFSCOAVLGIR-MEJZBLFSSA-N 392.536 4.167 0 1 GIAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]ncc34)n(-c3ccccc3)c(=O)c12 88346006 NSBUFITVVLLFGE-HNNXBMFYSA-N 396.454 4.139 0 1 GIAF COc1ccc(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)cc1 95604492 XFKAKYFNZPOZED-KRWDZBQOSA-N 380.410 4.409 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4cccc(Cl)c4)ccc31)[C@H]1CC[C@H](C2)N1 100632331 DCGVXRIATHGRTP-CXAGYDPISA-N 386.904 4.014 0 1 GIAF Nc1nc(-c2cccc(Br)c2)cc(-c2cc3ccccc3oc2=O)n1 103206064 OLHIWBYXRBLHIA-UHFFFAOYSA-N 394.228 4.262 0 1 GIAF O=C(Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1)c1ccc2nn[nH]c2c1 117456684 HFJSXSSYTIJJEV-UHFFFAOYSA-N 384.443 4.151 0 1 GIAF COc1cccc(C(=O)N2CCC(F)(F)[C@H](Oc3ccc4ccccc4n3)C2)c1 145987992 QZXSVMSMRJTFPZ-LJQANCHMSA-N 398.409 4.172 0 1 GIAF CC(=O)N[C@H](C)CCc1ccc(C2CN(c3cccc(C(F)(F)F)n3)C2)cc1 149959818 ZUUIBDOTBNKIRF-CQSZACIVSA-N 391.437 4.161 0 1 GIAF Nc1ncc(-c2ccc(CN3CCCCC3)s2)cc1C(=O)Nc1ccncc1 150065057 KEZNARMJBJOFQB-UHFFFAOYSA-N 393.516 4.026 0 1 GIAF Cc1nc2c(o1)C[C@H](CN1CC=C(c3c[nH]c4cc(F)ccc34)CC1)CC2=O 169322323 UKBFTRTZQMOGIC-CQSZACIVSA-N 379.435 4.138 0 1 GIAF CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4cccc(F)c4n3)cc2)[nH]o1 473108509 MPKXKXXYPFMWKI-UHFFFAOYSA-N 393.422 4.492 0 1 GIAF Clc1c(Br)cnc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc12 587016422 LKKPDWUDHIVHNP-MRVPVSSYSA-N 385.674 4.349 0 1 GIAF COc1nccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587165794 FMNTYNCXYMBCLC-UHFFFAOYSA-N 379.420 4.073 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@H](C)CC(=O)O)[C@@H](C2)C3=O 587421209 UGXXJZQVWHFZQH-BSPLBBPOSA-N 386.831 4.102 0 1 GIAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cccc4ccccc14)[C@@H](C2)C3=O 587446314 BYDWBXNZDAKIEJ-CYFREDJKSA-N 388.419 4.356 0 1 GIAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cccc4ccccc14)[C@@H](C2)C3=O 587446316 BYDWBXNZDAKIEJ-YADARESESA-N 388.419 4.356 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1sc4nc(C)nc(C)c4c1C)[C@@H](C2)C3=O 587450094 DHZDPMJOVBGCOR-LHSJRXKWSA-N 380.469 4.288 0 1 GIAF C[C@@H](CC(=O)O)[C@]1(c2ccc(N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511613 QPEAFRAYYGKOFD-PSLXWICFSA-N 379.456 4.119 0 1 GIAF CN(CCC[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3)N=O 587513604 SNFJUXATKODQAL-JOCHJYFZSA-N 379.460 4.215 0 1 GIAF COc1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587555312 GGYWJLDIAFBYJX-UGKGYDQZSA-N 396.370 4.251 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)OC(F)(F)O2 587559196 ZMXISEYPMLFNKD-PXNSSMCTSA-N 398.317 4.417 0 1 GIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1C 587581859 XMCSBKMSZMUABK-WMZHIEFXSA-N 391.423 4.168 0 1 GIAF Cn1cc2c([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc2n1 587584024 YKPVUOMWYYMECP-OFNKIYASSA-N 386.407 4.156 0 1 GIAF COCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594243 NMLGWDNYMIUQLW-DENIHFKCSA-N 378.380 4.078 0 1 GIAF CC(C)OC(=O)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587622055 VVVJBXROOCXHEU-UHFFFAOYSA-N 390.159 4.391 0 1 GIAF CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccc(C(F)(F)F)cc1 587650333 SBRHFSIKXSUEBW-UHFFFAOYSA-N 395.402 4.384 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3[nH]c(Cl)ncc2-3)N1 587705726 OEHYTGALAYSVEE-WJWGPLDTSA-N 395.663 4.088 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)N[C@@H](C)COC 587859500 JXABNFRBSLTWTH-JTQLQIEISA-N 388.320 4.013 0 1 GIAF COc1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)c(OC)c(OC)n1 962666396 MACYVVIBBPTYJG-NRFANRHFSA-N 376.456 4.010 0 1 GIAF Cc1nc(-c2cccc3ccccc23)sc1C(=O)N(C)Cc1ccn(C)n1 1772637316 NISWUTAONUMMMS-UHFFFAOYSA-N 376.485 4.277 0 1 GIAF Cc1cc(N2CC[C@@]3(CCN([C@@H](C)c4cc5ccccc5n4C)C3)C2)nc(C)n1 1857562794 GJHZMSUVYCJCRY-MHECFPHRSA-N 389.547 4.249 0 1 GIAF Clc1ccc(CN=c2nc3c(c[nH]2)CN(Cc2ccccc2)CC3)cc1Cl 1857609787 CPJZELGWFDAPML-UHFFFAOYSA-N 399.325 4.376 0 1 GIAF CCCc1nc2ccc(Cl)cn2c1C(=O)NCCOc1ccc(Cl)cc1 1857619549 YYMFPAMRYNPYPZ-UHFFFAOYSA-N 392.286 4.402 0 1 GIAF C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H](c2ccccc2)[C@H]1C(=O)c1ccccc1 2356314165 OAYJGVAWFFIKCD-BDCACXIJSA-N 382.463 4.109 0 1 GIAF CC(=CCc1cc(C(=O)O)ccc1O)CCC=C(C)CC[C@H](O)[C@@H](C)C(=O)O 2356718207 NTUPPVZJNOAYQQ-APWZRJJASA-N 390.476 4.168 0 1 GIAF Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2CC2CCCCC2)cc1 61923672 QFKTVSIMNBHXAU-SGNDLWITSA-N 394.563 4.393 0 3 GIAF Cc1ccccc1-c1cc2nc(NCCc3ccncc3)n(C)c(=O)c2s1 61929167 AKTHYINZAQUEMF-UHFFFAOYSA-N 376.485 4.020 0 3 GIAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccccc1OC 4207480 IQSONPCLZDUUSP-QUCCMNQESA-N 386.879 4.357 0 1 GIAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)c(Cl)c1 100912853 GBSHIUSLZXGHTO-RKMBCSFTSA-N 396.712 4.142 0 1 GIAF CCOC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccccc1 100705493 ICOPGYCMYXTXKA-CYBMUJFWSA-N 393.468 4.275 0 1 GIAF O=C1Nc2c(-c3ccncc3)cccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 28884285 FSLIGIKOUXQTGA-UHFFFAOYSA-N 394.430 4.446 0 1 GIAF CC(=O)OCn1c2c(c3cc(Br)ccc31)CC(=O)Nc1ccccc1-2 27106814 OSRDDNNWUABMRA-UHFFFAOYSA-N 399.244 4.086 0 1 GIAF C[C@H](NC(=O)Cc1ccccc1)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 2356756167 BUWQZDOVQUFDEA-LBPRGKRZSA-N 384.819 4.113 0 1 GIAF O=C(Nc1ccc(-c2ccco2)cc1)C1CCN(C(=O)CCc2ccco2)CC1 621476343 BJXMGZSUCZRPLS-UHFFFAOYSA-N 392.455 4.350 0 1 GIAF CCCc1c(C(=O)N(CC)CC)c2ccccc2n2cnc(C(=O)OCC)c12 653829381 LENOIFMYGFHJCM-UHFFFAOYSA-N 381.476 4.099 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cccc(C(=O)OC)c13)CC2=O 587482814 KJLKPCKYWCYVCS-IBGZPJMESA-N 379.412 4.319 0 1 GIAF Fc1c(Cl)cc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1F 586966459 FASJLZJTKXHENJ-UHFFFAOYSA-N 379.779 4.232 0 1 GIAF C=C(C(=O)O)c1cc(O)n(-c2ccc(CCCC)cc2Br)c1O 587936963 OGCJLJYGBFRJIW-UHFFFAOYSA-N 380.238 4.091 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccsc1)([C@@H](O)c1ccsc1)[C@@H](C2)C3=O 587451077 HTWQXULJVRSBMI-YSSFQJQWSA-N 384.478 4.195 0 1 GIAF Cc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344349 BZAPAZBQJUEHRZ-NFBKMPQASA-N 389.382 4.046 0 1 GIAF O=C(O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 587542021 HGKJWPQGIQKCLF-XLIONFOSSA-N 396.782 4.447 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C2(C)CC2)(C(F)F)N1 587723012 URNCXGKLUHSPQE-HUTHGQBESA-N 390.243 4.342 0 1 GIAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586906023 BQOSZXYTAIIRIV-SSDOTTSWSA-N 393.159 4.033 0 1 GIAF CCOC(=O)C[C@]1(CC2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795346 IMXGGUHSTZNIFV-VOJFVSQTSA-N 384.289 4.071 0 1 GIAF CCO/C=C/[C@]1(C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328736 KECFZHIKYAZGJT-ODBONLNUSA-N 378.346 4.444 0 1 GIAF CO/C(C)=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587701331 CIPDJQCOZSJJDN-LEJLCQMHSA-N 382.195 4.430 0 1 GIAF O=C(CSCc1nc2ccc(O)cc2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114446 UFTFYIRBYQUWDS-UHFFFAOYSA-N 381.379 4.159 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4cccc(Br)c4C[C@H]1C)[C@@H](C2)C3=O 587419251 XLNYZWACVAVBLF-YERPZDBWSA-N 385.257 4.293 0 1 GIAF CC[C@]1(Cc2nc3ccc(S(=O)(=O)CC)cc3[nH]2)CC(=O)c2ccccc2C1 587959047 BPQLSAZOBQBBGY-JOCHJYFZSA-N 396.512 4.125 0 1 GIAF CC1=C(c2ccc3nc(-c4ncsc4-c4ccccc4)[nH]c3c2)NNC(=O)C1 587028320 QZDRBPMSFFJJDB-UHFFFAOYSA-N 387.468 4.109 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cncc(F)c2)(C2CC2)N1 587734429 RHZQNZMKVUAMPX-XTZNXHDOSA-N 379.248 4.310 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(F)cc1)CC2=O 587465898 IFJFMWWKPVOOCW-JOCHJYFZSA-N 386.419 4.298 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCN2C(=O)OC(C)(C)C)N1 587759855 HRKKSSJPKVNJQI-CKUKBARFSA-N 399.304 4.173 0 1 GIAF COC(=O)c1cc(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587812424 ZBGVWKFFTYMXNY-VOJFVSQTSA-N 392.268 4.307 0 1 GIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 587232855 DMILKNWFJXPBQA-WPRPVWTQSA-N 399.264 4.020 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Cl)cnc2[nH]1 587004752 YLWFXXFWQYUPMY-LBPRGKRZSA-N 390.672 4.098 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](c3nccn3C)C2)N1 587754773 MOUSBQRBQUOQOY-BBEGDGIKSA-N 392.316 4.409 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(Cc3ccc(Cl)cc3)nn1)CC2=O 587458605 AVOLMIYBBKQHGF-HXUWFJFHSA-N 397.862 4.344 0 1 GIAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@](Cc2ccccc2)(C2CC2)N1 962967428 NCXQYBJXARPDQO-UZLBHIALSA-N 377.818 4.065 0 1 GIAF CCOC(=O)Nc1[nH]c2ccc(Br)cc2c1[C@](C)(O)C(F)(F)F 205200423 BEVFGAZMKXSNOQ-ZDUSSCGKSA-N 395.175 4.269 0 1 GIAF CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc21 1772646890 JPJBCKSRGYPABG-JKSUJKDBSA-N 399.930 4.486 0 1 GIAF Cc1cc(C)nc(SCC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)n1 1772608003 XVRLUEPMZNSGHV-UHFFFAOYSA-N 377.469 4.055 0 1 GIAF COc1ccc(-c2ccc3c(c2)N(Cc2cc(F)cc(F)c2)C(=O)COC3)cn1 205218655 VACNXPXNYFKNLU-UHFFFAOYSA-N 396.393 4.099 0 3 GIAF Cc1c(C)c2ccc(OC3CCN(CC(=O)c4ccccc4)CC3)cc2oc1=O 1857607021 XBOQNZPZRIVLIZ-UHFFFAOYSA-N 391.467 4.136 0 1 GIAF Nc1ccnc2c1c(-c1c[nH]c3nccc-3c1)nn2[C@H]1CCc2ccccc2C1 1857763597 BOKUZXSCWAITFO-SFHVURJKSA-N 380.455 4.238 0 1 GIAF COC(=O)c1cccc(OCc2nc3ccc(Oc4ccccc4)nc3n2C)c1 204539805 HFIQOPNVWJEPCD-UHFFFAOYSA-N 389.411 4.126 0 1 GIAF CCN(CC)SN(C(=O)NC(=O)c1c(F)cccc1F)c1ccccc1 103201970 XPKIBNPQYJBDOD-UHFFFAOYSA-N 379.432 4.226 0 1 GIAF Cc1ccc(C)c(C2=C(OC(=O)CC(C)(C)C)C3(CCC(=O)CC3)NC2=O)c1 103210517 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4.112 0 1 GIAF CC(C)(C)Cc1nc2c(NCc3ccccc3)ncnc2n1C[C@@H]1CCCO1 82178717 PYHLLUOFMFPELI-KRWDZBQOSA-N 379.508 4.206 0 1 GIAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccc(F)cc2)C1 82140185 JLRPPIATZWWMLZ-JKSUJKDBSA-N 384.499 4.390 0 1 GIAF CC1=CC2=C[C@H](C)C[C@@]23O[C@]2(CC(C)(C)C[C@@H]2[C@@]1(O)C(F)(F)F)[C@@H](C)C3=O 96928255 IRZKZPQRMWKJCR-DKTHUWJDSA-N 384.438 4.355 0 1 GIAF FC(F)(F)Oc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1 95602152 OJGVJKYLJQAYDC-UHFFFAOYSA-N 395.391 4.298 0 1 GIAF COc1ccc(OC)c(-c2cc(-c3ccc(C(=O)NCC4CC4)s3)on2)c1 653838503 HDWZOLOIBMRXHI-UHFFFAOYSA-N 384.457 4.227 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCN1Cc1ccccc1 587872374 KPIVHUVLNOKBDD-FQEVSTJZSA-N 379.435 4.003 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ncnc2Cl)N1 587704162 IDZUUZLYEYTCJL-PWCHPLFNSA-N 391.071 4.309 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(F)c(O)cc32)N1 587727456 CMLDZFBKOOATLI-NIVTXAMTSA-N 380.232 4.157 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc[nH]c32)N1 587804572 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COc1cccc(OC)c1[C@]1(c2cnccc2C)NCCc2ccc(F)c(C)c21 962294213 AXTNOBJALXWSFC-XMMPIXPASA-N 392.474 4.292 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]21CCN(C(=O)OC(C)(C)C)CC[C@H]1C 963269249 GZBJDXILSYZTKK-SPLOXXLWSA-N 394.943 4.357 0 1 GIAF Cc1ccc(F)c([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1F 962635444 IYELJOFLJCHBRZ-GOTSBHOMSA-N 396.437 4.184 0 1 GIAF CN(C)C(=O)Oc1ccccc1[C@@H]1c2ccsc2CCN1Cc1cccn1C 962397094 JHXLULCYPKEDSH-OAQYLSRUSA-N 395.528 4.295 0 1 GIAF CCCCOc1ccccc1[C@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973227 JQHXMBPAASQLKE-DNVCBOLYSA-N 395.833 4.485 0 1 GIAF CCOc1cc([C@H]2NCCc3ccc(O)cc32)ccc1OCc1cccnc1 963339984 DGRSDVXQBNOHTJ-HSZRJFAPSA-N 376.456 4.000 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(c3ccsc3CCN2Cc2cccnc2)[C@@H](C)C1 962994422 DDBTXONVZZJVFC-AQOAWAETSA-N 384.545 4.396 0 1 GIAF O=C1NC(=O)c2c1c1c3c4c2-c2ccccc2[C@H]4[C@H]2CC[C@@H](O2)[C@@H]3c2ccccc2-1 1772632492 KHTOCSUDHUSQFO-BDXSIMOUSA-N 391.426 4.356 0 1 GIAF O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@@H]1CCCc2ccccc21 13742612 GPHIUMQUEWFRCO-JOCHJYFZSA-N 388.511 4.276 0 1 GIAF CC(C)(C)N1CCO[C@H](COc2ccc(NC(=O)NC3CCCCC3)cc2)C1 1857608422 PSVUAGRHPQWOOO-FQEVSTJZSA-N 389.540 4.019 0 1 GIAF CC(C)Cn1cc(C(=O)NC2CCCCC2)c2c3ccccc3n(C)c2c1=O 2466209 CCLIKIRQJXMSHU-UHFFFAOYSA-N 379.504 4.212 0 1 GIAF O=C(NN1CCCCC1)c1cnc(OCC2CC2)c(-c2ccc(Cl)cc2)c1 103247941 SWPXYHKNFLVXKH-UHFFFAOYSA-N 385.895 4.322 0 1 GIAF Cc1ccc(C(=O)Oc2ccccc2N2C(=O)[C@H]3CC[C@H](C)C[C@H]3C2=O)cc1 104096877 BIVKITRJRSZAIZ-RYQLBKOJSA-N 377.440 4.140 0 1 GIAF COC(=O)[C@H]1[C@@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 27213109 NYWOLUGCSRCGJB-PPGORRQASA-N 399.918 4.470 0 1 GIAF Cc1sc(-n2cccc2CNCCCN(C)c2ccccc2)c(C(=O)O)c1C 21935450 CPDURAWDNHUAOK-UHFFFAOYSA-N 397.544 4.470 0 1 GIAF CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCCC(=O)N1CCSCCCC(=O)O 28477015 YDLAYOPDBXENMD-LLSOJIOMSA-N 399.597 4.099 0 1 GIAF CCCCC[C@@H]1C=C[C@@H]2[C@H](OC(C)=O)CC(=O)[C@@H]2CC=CCCCC(=O)O1 2356566769 TYOJAIKYXCRSCC-WERVVEIQSA-N 376.493 4.302 0 1 GIAF CCCCc1ncc(CO)n1Cc1ccc(OCc2ccccc2C(=O)O)cc1 28764036 NEUPVVHTRBIBGJ-UHFFFAOYSA-N 394.471 4.044 0 1 GIAF CC[C@H](O)c1nc2c(C(F)(F)F)cccc2c(O)c1C(=O)Nc1nccs1 29229660 DWLLKAMTJGNQAT-JTQLQIEISA-N 397.378 4.111 0 1 GIAF Nc1ncnc2[nH]nc(-c3cccc(OCc4c(Cl)cccc4Cl)c3)c12 64479748 OKVMRMKMAISZAE-UHFFFAOYSA-N 386.242 4.488 0 1 GIAF O=C(Nc1ccc(N2CCCCC2)cc1)c1nnc(Nc2ccccc2F)o1 38209209 HLMJBIMRZWRNII-UHFFFAOYSA-N 381.411 4.195 0 1 GIAF O=C(Nc1ccc(Nc2ccccc2)nc1)c1nnc(Nc2ccccc2F)o1 35907381 VNQMVRNFJVTDAJ-UHFFFAOYSA-N 390.378 4.343 0 1 GIAF CC1=NN(C(=O)Nc2cccc(C)c2)C(C)=NN1C(=O)Nc1cccc(C)c1 34096708 NHSRXOMNAAGLSG-UHFFFAOYSA-N 378.436 4.352 0 1 GIAF 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@](C)(O)CC(=O)O 196190687 RAJWFJLYEVWRML-UGOYFBGJSA-N 378.553 4.232 0 1 GIAF O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCSC[C@H]3[C@H]2C(=O)N1c1ccccc1 254077168 LXYBVCDNTFPEED-FCNFAXOHSA-N 388.492 4.291 0 1 GIAF CCNC(=O)Nc1cc(-c2cccnc2)c(C(=O)Nc2cccc(Cl)c2)cn1 299822688 BAXCKUWTBMMQAP-UHFFFAOYSA-N 395.850 4.191 0 1 GIAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3ccc4ccccc4c3)c2)c1 653912816 CJADTVRMEGJXFN-UHFFFAOYSA-N 397.434 4.165 0 1 GIAF C[C@@]1(COc2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566953 CNPBRRZKYBHUNX-UGKGYDQZSA-N 398.361 4.470 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(N2CCCC2)c1 587596992 SUCATXRUCMGYGE-OFNKIYASSA-N 388.423 4.090 0 1 GIAF FC(F)(F)Sc1ccc(/C=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 587125205 OPKXKVUODOXBMQ-BAQGIRSFSA-N 388.378 4.321 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc3c(Cl)n[nH]c23)N1 587701242 AREITOMBALZIPI-MLXNANBUSA-N 395.663 4.137 0 1 GIAF CCn1cc([C@]2(CC)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587344192 WIMARBLUFCSPNJ-IRLDBZIGSA-N 380.419 4.412 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)F)(C2(C)CC2)N1 587715653 CGPNVKMQYRRHIG-HUTHGQBESA-N 390.243 4.342 0 1 GIAF CC(C)N(C)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587743141 VUHQWKTUYMSVMS-CWTRNNRKSA-N 392.316 4.451 0 1 GIAF Cc1cnc2[nH]cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587592517 YZOAJLUGBQJJKJ-XXBNENTESA-N 386.407 4.454 0 1 GIAF CCOC(=O)Cc1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587133211 MJQTYTNHNSSXNO-UHFFFAOYSA-N 395.217 4.345 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3cccnc3c2)N1 587779165 QMQNCBQMJCSWAK-WLRWDXFRSA-N 386.268 4.329 0 1 GIAF CCOc1cc(OCC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCC)c1 587400484 PWDMIEUHRVSJSK-HXUWFJFHSA-N 385.460 4.480 0 1 GIAF C[C@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)N(C)C 587190984 KCXZGOQPCFNLPM-CYBMUJFWSA-N 388.309 4.397 0 1 GIAF Cn1cc(-c2ncc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)s2)cn1 587021507 KRHHQGOQLCTPDT-UHFFFAOYSA-N 385.452 4.318 0 1 GIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 587787029 UDPJIUUSZBFCBQ-NEPJUHHUSA-N 389.224 4.408 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)c4cc(OC)c(OC)cc41)[C@@H](C2)C3=O 587443600 RLHRHXPWUAKVDW-HJPURHCSSA-N 380.440 4.037 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(COc3ccc(C)cc3)nc2c1 587565912 WZDFANBVXGYLPM-UHFFFAOYSA-N 389.249 4.390 0 1 GIAF CC1(C)Oc2ccc(C(=O)O)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587530204 BMJWZRKQZGTHDE-HSZRJFAPSA-N 378.424 4.295 0 1 GIAF C[C@@]1(CC(=O)C(F)(F)F)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962962216 WGUHMCNMSWWEOR-HNNXBMFYSA-N 395.343 4.094 0 1 GIAF C[C@@]1(Cc2ccncc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963711 WXXKUAFPKZWIFI-IBGZPJMESA-N 376.422 4.210 0 1 GIAF O=C1OCC[C@@H]1Oc1cccc([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1 962666402 MAYXUXIIQPIYHN-UPVQGACJSA-N 385.463 4.283 0 1 GIAF CCOC(=O)Nc1[nH]c2ccc(Br)cc2c1[C@@](C)(O)C(F)(F)F 205200439 BEVFGAZMKXSNOQ-CYBMUJFWSA-N 395.175 4.269 0 1 GIAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(Cc3ccccc3Cl)C(=O)N21 12480362 ZEZDUMRAUZWUOA-GOSISDBHSA-N 393.874 4.446 0 3 GIAF COc1ccc(S(=O)(=O)N(CCCC(=O)C2CCC2)c2ccccc2)cc1 1857615944 MPLYDNKSSFKNQI-UHFFFAOYSA-N 387.501 4.040 0 1 GIAF CC(=O)OC[C@]1(C)C[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@](C)(O)CC=C3CC[C@@H]21 1857765912 FHRYUUGDSQIOFS-PTROGCMSSA-N 392.536 4.175 0 1 GIAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 773890 HFSFWDAOBGMTOI-MOPGFXCFSA-N 392.455 4.051 0 1 GIAF CC1=NC(C)=C([N+](=O)[O-])[C@@H](c2ncccc2C)/C1=C(/O)OCCc1ccccc1 29482649 OOGCJMZCAXYUBX-SBOLGIJOSA-N 393.443 4.485 0 1 GIAF CCN1CC[C@@H]2[C@H](C1)c1ccc(C)cc1[C@H]2c1ccc(COC(=O)NC)cc1 27863386 SPFFQDIFNJWWBQ-MZYLBHOOSA-N 378.516 4.422 0 1 GIAF COc1ccc(-c2nnc(-n3c(-c4ccccc4)nc4ccccc4c3=O)o2)cc1 103204760 ROFANCPSWVJUIA-UHFFFAOYSA-N 396.406 4.111 0 1 GIAF COC(=O)c1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc1 104074257 PIUIFKUNWUIVAP-LJQANCHMSA-N 383.444 4.233 0 1 GIAF COc1ccccc1CNC(=O)Nc1nc([C@@H](N)CCc2ccccc2)cs1 61907068 YAJJEBGOPIURII-KRWDZBQOSA-N 396.516 4.106 0 3 GIAF COc1ccc(OC)c(-c2cc(-c3ccc(O)cc3)nc(N3CCCC3)n2)c1 28528838 NHUJHQXNMLSOFN-UHFFFAOYSA-N 377.444 4.134 0 1 GIAF CC[C@H](C)C(=O)O[C@@H]1CCC[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](O)CC(=O)O3)[C@H]21 2356520007 VXDSGTRNDFHIJB-WTAGLSBMSA-N 392.536 4.029 0 1 GIAF COC(=O)C=C(C)CC[C@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@]2(C)C(C)=C[C@@H](O)C[C@@H]21 2356674467 JMMACFKOBKFRDJ-URWNEQQLSA-N 392.536 4.197 0 1 GIAF COc1cc(C(=O)c2cc(-c3ccc(F)cc3)sc2N)cc(OC)c1OC 35931962 IZTZDWNPERULKL-UHFFFAOYSA-N 387.432 4.393 0 1 GIAF O=C1OCC2=C1[C@H](c1cc(Cl)ccc1Cl)c1cc3c(cc1N2)OCO3 42922776 WFLMMFXRAUEPIK-MRXNPFEDSA-N 376.195 4.090 0 1 GIAF NC(=S)N1N=C(c2cccc(Br)c2)C[C@@H]1c1ccccc1Cl 40951774 MCTQWKDAIFYHEN-OAHLLOKOSA-N 394.725 4.497 0 1 GIAF C[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(Cl)nc3Cl)oc2c1 138751566 DPWPMUSGLLXNQL-MRVPVSSYSA-N 375.215 4.057 0 1 GIAF Cc1ccc(C(=O)NC[C@@]2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)cc1 45321595 MFSRBEVIEUEEMZ-QGZVFWFLSA-N 398.768 4.398 0 1 GIAF Cc1ccccc1[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NC(C)C)CC1 40896137 SMAJIXOOJCUMFD-NRFANRHFSA-N 385.939 4.473 0 1 GIAF O=C(Nc1cc[nH]c(=O)c1)c1cc(OC(F)(F)F)ccc1OC1CCCCC1 143155363 KXHVTNRVAJHNTH-UHFFFAOYSA-N 396.365 4.237 0 1 GIAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)C1 299845699 PLOHAMWJMYYAHV-MBSDFSHPSA-N 392.547 4.068 0 1 GIAF CC(=O)C[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587736079 YTCCENHLHJULSA-WYRIXSBYSA-N 394.259 4.484 0 1 GIAF COc1cc(OC)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587812544 ZZAYGRHKBDTLCB-JEOXALJRSA-N 394.284 4.403 0 1 GIAF O=[S@@](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)CC1CC1 586959778 QJPJPZNUHFMMJB-OAQYLSRUSA-N 381.217 4.003 0 1 GIAF Cc1nccc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc12 587028212 WQNCKTIJDJYLQR-SZMVWBNQSA-N 380.517 4.403 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nnn(Cc3ccccc3)c1C)CC2=O 587475426 LTSOCPIEIIAEHL-HSZRJFAPSA-N 391.471 4.174 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(Cc3ccc(F)cc3)c1)CC2=O 587466282 KCWBVMSPVXCFKM-NRFANRHFSA-N 380.419 4.435 0 1 GIAF Cc1cc(C(=O)O)cc(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605959 CGDJCXYTYQAJGN-SIKLNZKXSA-N 390.391 4.410 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3cn(C)nc23)N1 587759672 LXQMONUURPCRAA-NSPYISDASA-N 388.284 4.273 0 1 GIAF CCOC(=O)C[C@@]1(CC2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347047 KUHQUJRTMGSZMG-JTHBVZDNSA-N 398.430 4.382 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCN(C)C)(c2cccs2)N1 587846109 GPSPJCGYIWNINH-XIKOKIGWSA-N 397.357 4.379 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccncc2)(c2ccncc2)N1 587780116 YMGDLHVVZHHLRJ-ZDUSSCGKSA-N 398.279 4.204 0 1 GIAF O=C(O)COc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586989442 IVPJJKBYXLUSDI-UHFFFAOYSA-N 397.386 4.282 0 1 GIAF CCOc1ccccc1C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867508 GXTJUTZJTRUCFL-UHFFFAOYSA-N 391.349 4.060 0 1 GIAF FC(F)(F)Oc1cc(Br)cc2nc(CCOCC3CC3)[nH]c12 587784279 OKUXTJPAWOXWIG-UHFFFAOYSA-N 379.176 4.193 0 1 GIAF O=C(O)c1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587185235 ZUHRJIDMJXMZNH-QPJJXVBHSA-N 390.180 4.036 0 1 GIAF Cc1ccncc1[C@@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962901797 SEJUUMMDJWZLQI-UNMCSNQZSA-N 396.849 4.073 0 1 GIAF CCOC(=O)CC[C@]1(c2ccccc2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962572765 QIUPNRMKFAXTRH-XDHUDOTRSA-N 397.515 4.167 0 1 GIAF COc1ccc2occ([C@H]3NCCc4c(Cl)cc(Cl)cc43)c(=O)c2c1 963101488 BOZIKKLBRUQAIW-SFHVURJKSA-N 376.239 4.344 0 1 GIAF CC1(C)C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](c5ccoc5)C[C@H]5O[C@]54[C@@H]3[C@H](O)C[C@@H]12 13298244 KYAONONRIXUXQW-MCRVLINDSA-N 396.527 4.489 0 1 GIAF in-vitro CCC(=O)[C@H]1[C@@H](c2ccc(/C=C/I)cc2)C[C@@H]2CC[C@H]1N2 13439771 ZSIIPJGEQMLBAQ-RUJCAILXSA-N 395.284 4.296 0 1 GIAF COCCN(C)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)nn(C)c12 13553425 HROVNJRYFDSFMK-UHFFFAOYSA-N 379.291 4.333 0 1 GIAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2C2CCCCC2)c1 169706969 SZCLCGVTQXXXTJ-SFHVURJKSA-N 394.519 4.082 0 1 GIAF O=Nc1c([C@H]2C(=O)Nc3c2cccc3C(F)(F)F)[nH]c2ccc(C(=O)O)cc12 169729510 UNCYMSKRQGJFEU-LBPRGKRZSA-N 389.289 4.367 0 1 GIAF Cc1ccc(C(=O)c2nc(N=c3cc(C)[nH][nH]3)c3ccc(Cl)cc3n2)cc1 1857774579 XZQZGIIDBZOCRI-UHFFFAOYSA-N 377.835 4.020 0 1 GIAF CSCc1cn(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(Cl)cc2)n1 3814581 BGJCSBGDLULOSI-UHFFFAOYSA-N 392.933 4.459 0 1 GIAF Brc1cnc2c(NCc3cncnc3)cc(-c3ccccc3)cn12 3820146 LZLKFNBMXXLTLX-UHFFFAOYSA-N 380.249 4.166 0 1 GIAF in-vivo C[C@@H]1C=C(CCCCCCCCCCCC[C@@H]2C(=O)O[C@H](C)[C@@H]2O)C(=O)O1 14421076 OUGUBSKRYFRNBT-JYBIWHBTSA-N 380.525 4.462 0 1 GIAF biogenic COc1cc2cc3c(c(O)c2c2c1C=CC(C)(C)O2)C(=O)C[C@@](C)(OC(C)=O)C3 14883298 DGSRXKGBZHMWTF-QHCPKHFHSA-N 396.439 4.189 0 1 GIAF biogenic COC(=O)[C@@H]1C[C@@]23CN(C)C[C@@H](CCC4=C2[C@@H]1CC4)[C@]31CC=C(C(C)C)OC1 14955721 UCEHABYXGSMTQX-UGMLOIQZSA-N 385.548 4.174 0 1 GIAF biogenic C[C@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1 26400264 HVQFTLQVTZRSOZ-XTUQDRMESA-N 394.559 4.349 0 1 GIAF O=C1NC(=O)[C@@H](Cc2ccc(OCc3nc(-c4ccccc4)cs3)cc2)S1 26578079 LROPPGYGCFVJLT-QGZVFWFLSA-N 396.493 4.283 0 1 GIAF CCC(=O)OC1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1 27203142 FNNWGCIYGGPDLV-UHFFFAOYSA-N 380.275 4.372 0 1 GIAF COc1cc(N[C@H](C)CCCN2C(=O)[C@H](C(C)C)NC2(C)C)c2ncccc2c1 28522082 LSPPUZWYYVSPQJ-UZLBHIALSA-N 398.551 4.017 0 1 GIAF CC[C@](O)(NC1CCN(C(=O)c2ccc3ccccc3c2)CC1)c1ccccc1 28707286 UNJCTGAEWMSMIV-RUZDIDTESA-N 388.511 4.289 0 1 GIAF CC[C@@H]1NC(=O)[C@@](CCN(C(C)C)C(C)C)(c2ccccc2)[C@@H]2CCCCN21 28756167 WDKQQRCLEKNRIX-ZDXQCDESSA-N 385.596 4.154 0 1 GIAF CC[C@]1(CCCCN2CCN(c3ccccc3)CC2)C(=O)Nc2ccccc21 29053005 RZMXKHIEINISHR-XMMPIXPASA-N 377.532 4.279 0 1 GIAF CC(C)N1CCC(Sc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1 34339227 SQJARQXLOZMWCM-UHFFFAOYSA-N 377.941 4.269 0 1 GIAF COc1ccc(C(=O)N2c3ccccc3[S@](=O)c3ccc(OC)cc32)cc1 72110208 MELARSNUFTZQIL-HHHXNRCGSA-N 379.437 4.162 0 1 GIAF CN(Cc1ccccc1)c1ncc(-c2ccc(CNC[C@@H]3CCCO3)cc2)cn1 84671747 DLAHTKBWOJEKFT-QHCPKHFHSA-N 388.515 4.049 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc(-n2ccnc2)c1 100035906 SCKCGIGTXSIKIU-ASBZNUFUSA-N 395.459 4.074 0 1 GIAF COc1ccc(-n2cc(CN[C@H]3CC[C@H](O)CC3)c(-c3cccc(F)c3)n2)cc1 101860010 PKMNJNBSKMAENZ-TYKWCNGQSA-N 395.478 4.080 0 1 GIAF O=C(O)[C@H]1[C@@H](Cc2c[nH]c3ccccc23)CCN1C(=O)c1ccc2ccccc2c1 103255423 KJXIJMCTHOJNEM-WZONZLPQSA-N 398.462 4.479 0 1 GIAF CN(C)c1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O 114711707 UNMXEZXMCCEAAD-UHFFFAOYSA-N 382.552 4.212 0 1 GIAF CN(C)Cc1cccc([C@H]2Nc3cccc4c(=O)[nH]nc(c34)[C@H]2c2ccccc2)c1 117889039 SNFZYJVSHCYGBE-JTHBVZDNSA-N 396.494 4.283 0 1 GIAF CCOC(=O)C1=C(c2ccc(F)cc2)N=C(C)[C@H](C(=O)SCC)[C@@H]1CC 169721236 BUXRJNSRGYWWBC-HOTGVXAUSA-N 377.481 4.497 0 1 GIAF O=C1C[C@@H](C2CCCCC2)NC(=O)[C@@H]1C(=O)Nc1ccc(C2CCCCC2)cc1 169727299 DGRYMTJBTZFZBW-UNMCSNQZSA-N 396.531 4.327 0 1 GIAF CC(C)C1=CC[C@@]2(C)[C@H](O)[C@@H](O)C[C@](C)(OC(=O)/C=C\c3ccccc3)[C@@H]2C1 238787445 GIVYBSDWYHUABS-YOHNAXPGSA-N 384.516 4.126 0 1 GIAF C[C@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)NCc3cccs3)cc2)C1 261139858 MWATVQYCLGPJBC-LPHOPBHVSA-N 384.549 4.133 0 1 GIAF COC(=O)[C@]1(Cc2ccccc2C(F)(F)F)CC(=O)O[C@]1(C)c1ccccc1 299838724 QWNMTFDNUIKFLD-UXHICEINSA-N 392.373 4.270 0 1 GIAF Fc1ccc(O[C@H]2C[C@H](NCc3cccc4cn[nH]c34)C2)cc1C(F)(F)F 299865756 ULPRPHUWJUFLKB-CTYIDZIISA-N 379.357 4.420 0 1 GIAF O=C(O)/C=C/c1ccccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 586882485 VPKBWXIZILZVAS-AATRIKPKSA-N 378.613 4.139 0 1 GIAF Cc1ncc(-c2nc3cncc(Br)c3[nH]2)c(C)c1Br 586978727 DNWRZKCWNUSMFM-UHFFFAOYSA-N 382.059 4.162 0 1 GIAF COc1cc(OC)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 587017656 OGSMKLSQLISVQN-UHFFFAOYSA-N 379.441 4.306 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(CNc3ccccc3Cl)nc2c1 587060252 HUPABESVNYYDIG-UHFFFAOYSA-N 394.656 4.378 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587078823 BRQJIVZVSQMUIN-VIFPVBQESA-N 382.748 4.497 0 1 GIAF OC1(c2nc3cc(Br)c(F)cc3[nH]2)CCC(C(F)(F)F)CC1 587124505 AVTQTTKZULPEEU-UHFFFAOYSA-N 381.167 4.405 0 1 GIAF CN(C)CCOc1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 587143118 XDVJOVGDUOZQGL-UHFFFAOYSA-N 378.245 4.072 0 1 GIAF O=C1c2ccc(O)cc2O[C@@](c2ncc[nH]2)(c2ccco2)[C@@H]1c1ccc(F)cc1 587348954 SSQFWKYSWMPUQP-KNQAVFIVSA-N 390.370 4.150 0 1 GIAF CC(C)CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581437 HOIUYEKOLGENMP-FQEVSTJZSA-N 381.472 4.235 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]cc1-c1ccccc1 587593323 IRUOZYNHUHUTCY-CVDCTZTESA-N 384.391 4.485 0 1 GIAF COC(=O)c1ccc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587718777 OFGQVJRVIMTHDZ-HUTHGQBESA-N 396.231 4.138 0 1 GIAF CCOC(=O)C[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587792253 BDZHJLOJBBZMQI-YNKQFZHNSA-N 384.289 4.071 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(C[C@@H](C)O)c2)N1 587835102 UXVJBNURKMFENP-CRTZDJKQSA-N 378.285 4.135 0 1 GIAF Cc1nc(N(C)C)sc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587854904 UNJAVGOKUPWRHC-CLAHSXSESA-N 384.318 4.043 0 1 GIAF CCOC(=O)c1sc(-n2nc(-c3cccc(F)c3)cc2OCC)nc1C 587871788 BRAKBRJLMLHNRI-UHFFFAOYSA-N 375.425 4.019 0 1 GIAF CCCc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)s1 962638694 NKWUXDZDTARPAI-HOCLYGCPSA-N 385.407 4.288 0 1 GIAF Cc1ncc2c(n1)CCC[C@@]21c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962644518 RHFGVOMTVSUGJO-ATIYNZHBSA-N 396.538 4.112 0 1 GIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2csc(Cl)c2)N1 962704116 UILYDCIMDPTAAZ-DGCLKSJQSA-N 379.762 4.248 0 1 GIAF CCCCNC[C@]1(c2ccc(O)cc2)NCCc2c(Cl)cc(Cl)cc21 963119687 HEFFDWYKUDBQQZ-HXUWFJFHSA-N 379.331 4.478 0 1 GIAF O=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(NC(=O)C3CC3)cc21 1857565381 PDXHJPPVTUEBIN-UHFFFAOYSA-N 389.238 4.071 0 1 GIAF NC(=O)C1CCN(c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)CC1 36381454 YKWYKGWGJNJYKQ-UHFFFAOYSA-N 379.485 4.304 0 3 GIAF O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 767588 ZPZZQMICCIVEQF-JTHBVZDNSA-N 388.442 4.276 0 1 GIAF O=C(CCCN1CCN(c2ccccc2F)CC1)Nc1ccc(Cl)cc1 28646925 UXYXOTWBETTYJO-UHFFFAOYSA-N 375.875 4.020 0 1 GIAF CC(=O)O[C@H]1C[C@@H]2[C@@H]3CC[C@H]4C(=O)CCC[C@]4(C)[C@H]3[C@@H](OC(C)=O)C[C@]2(C)C1 2356436772 ZIHQYPUMMFHRCD-PZLACAJNSA-N 390.520 4.072 0 1 GIAF CCOc1ccccc1Cn1ncc(Cl)c(Oc2ccc(OC)cc2)c1=O 73351354 UFPAKYOLRMNGSM-UHFFFAOYSA-N 386.835 4.145 0 1 GIAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2ccc(F)cc2)C1 82140497 KRKKKXUUWOBHAM-GASCZTMLSA-N 382.483 4.223 0 1 GIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](OC(=O)[C@H](C)N)CC[C@]4(C)[C@H]3CC[C@]12C 45291215 UHFDEMLDIONMFY-VYIMKSKESA-N 387.564 4.413 0 1 GIAF CN(C)CCNCc1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1 95589010 IHNDVQAJDJUVJJ-UHFFFAOYSA-N 398.514 4.087 0 1 GIAF C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)C3CC3)c(C(F)(F)F)c2)C1 261160636 QUVLTPSEQSBWKS-CJNGLKHVSA-N 381.442 4.117 0 1 GIAF COc1ccc([C@H](c2ccccc2)c2nc3c(S)nc(S)nc3[nH]2)cc1 587936754 LYJLTNNADHKRSX-AWEZNQCLSA-N 380.498 4.119 0 1 GIAF CC1(C)[C@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O 587604666 VEASUAYMNPSCQR-UFTMPFERSA-N 378.424 4.118 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(O)ccc1O 587864192 GNPKUAJHOXZQME-UHFFFAOYSA-N 392.333 4.067 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(=O)OCC)cc1)CC2=O 587478605 GOPNAEKILKYDFM-HSZRJFAPSA-N 398.455 4.167 0 1 GIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587150598 NHXSOSYYKAZNTG-RXMQYKEDSA-N 378.688 4.395 0 1 GIAF CC(C)Oc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589618 WCFKFQRQQYPLJO-NQIIRXRSSA-N 377.396 4.277 0 1 GIAF C[C@]1(c2ccc(C(=O)O)o2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347465 BSXYGFBDOQHPSZ-WIYYLYMNSA-N 382.343 4.097 0 1 GIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)n1 587552240 OZOXAPUYLXDRGN-YLJYHZDGSA-N 383.787 4.152 0 1 GIAF O=C1C[C@H](c2ccc(N3CCOCC3)c(F)c2)Oc2c1ccc1c2CCCC1 587506069 OMDHGJTUOCYNIH-JOCHJYFZSA-N 381.447 4.248 0 1 GIAF Clc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2n1 587183946 LSZXHDPLNRVIGI-DAXSKMNVSA-N 381.604 4.386 0 1 GIAF Brc1cnc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 587007177 NHDAMTMDCYTCFD-UHFFFAOYSA-N 393.042 4.026 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc3c(c1)OCCO3)CC2=O 587483176 DXIZMBVIZKDXCC-QHCPKHFHSA-N 382.456 4.473 0 1 GIAF CC(=O)Oc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587808721 HIBJAUSDHWHBIX-MGNBDDOMSA-N 378.241 4.137 0 1 GIAF O=C(O)Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516968 YKUVIEWEZLQLOQ-NRFANRHFSA-N 375.424 4.311 0 1 GIAF COc1ccc(-n2nc3c4ccccc4c[n+](Cc4ccccc4)c3c2O)cc1 13448365 OVCJEGPNQDWGOL-UHFFFAOYSA-O 382.443 4.229 0 1 GIAF CCCCC[C@@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCCCCCC(=O)O 169622205 DTTMKDYOUCSFNN-OCWFAQLZSA-N 396.568 4.213 0 1 GIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)[C@@H]5C[C@H]5[C@]4(C)[C@H]3CC[C@]12C 169724665 DEAVUWHJOWDMKM-IBIVMFHYSA-N 384.564 4.030 0 1 GIAF CNC(=O)[C@H](CCCCCCC(=O)NC1c2ccccc2-c2ccccc21)N=O 169724768 GCLAISIYNLVKHY-FQEVSTJZSA-N 393.487 4.094 0 1 GIAF O[C@H](CNCCc1cc2ccccc2[nH]1)COc1cccc2[nH]c3ccccc3c12 26254865 GMZAUTZMDBRCFL-LJQANCHMSA-N 399.494 4.374 0 1 GIAF COc1ccc(Cl)cc1-c1nc(C)sc1NC(=O)c1cnn2cccnc12 68248266 XJIGRSGPENMQAL-UHFFFAOYSA-N 399.863 4.076 0 1 GIAF NC(=O)[C@@H](NC(=S)Nc1cccc(Cl)c1)c1c(Cl)cccc1Cl 26376402 KSUSMKTVXTXVHT-ZDUSSCGKSA-N 388.707 4.160 0 1 GIAF Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)cc31)CCNC2 64573763 UGLZLXCRIVBPML-UHFFFAOYSA-N 389.886 4.295 0 1 GIAF COc1ccc2[nH]c3c(c(=O)c2c1)C(=O)C[C@H](c1ccc(C(F)(F)F)cc1)C3 27085759 VATBZNCQULVFBT-GFCCVEGCSA-N 387.357 4.468 0 1 GIAF CC(=O)OCC(C)=CCCC(=CCCC(C)=CCCC1=CC(=O)OC1)C(=O)O 2356587645 RTVZIYCFNOJLDA-UHFFFAOYSA-N 390.476 4.277 0 1 GIAF Cc1nn(C)c(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1Br 34302346 NGROPWHKWCULHH-LLVKDONJSA-N 378.314 4.280 0 1 GIAF CC(C)=CCc1c(O)cc(O)cc1C(=O)c1c(O)cc(O)c2c1OC(C)(C)C=C2 3630064 NHYPUSZEORKJCF-UHFFFAOYSA-N 396.439 4.433 0 1 GIAF biogenic CCOc1ccccc1-c1nc(CN(C)[C@@H]2CCN(Cc3ccccc3)C2)co1 72181255 DSUOBVBDVBIAHH-OAQYLSRUSA-N 391.515 4.447 0 1 GIAF CCOc1cc2c(cc1OCC)C(c1cc3ccccc3s1)=NNC(=O)C2 38446170 GZHJMAVOLIEASV-UHFFFAOYSA-N 380.469 4.123 0 1 GIAF COc1ccc2c(c1OC)[C@@H]([C@@H](C)O)N(C)c1c-2ccc2cc3c(cc12)OCO3 14451117 KGXGGTSECNVCSW-XUSGNXJCSA-N 393.439 4.124 0 1 GIAF biogenic COc1ccc(COC(=O)C2=C(C(C)C)NC(=O)N[C@@H]2c2cccc(C)c2)cc1 40503600 FACDGWGMRDBCSP-OAQYLSRUSA-N 394.471 4.011 0 1 GIAF COC(C)(C)[C@H](O)CC/C(C)=C\COc1c2ccoc2cc2oc(=O)ccc12 198439252 DXUCGAHPDLXISA-BZPDREMPSA-N 386.444 4.430 0 1 GIAF CCCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3o2)cc1 40556739 NVOLWWPNJZEPIH-UHFFFAOYSA-N 393.852 4.021 0 1 GIAF Cc1cc(Oc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc(C(F)(F)F)c1 45373600 GLTYUVHJUPCRDF-GFCCVEGCSA-N 382.363 4.095 0 1 GIAF Cc1cc(Oc2ncccc2C(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C1CC1 221000717 IRQUYIIBOAXVDP-UHFFFAOYSA-N 399.397 4.280 0 1 GIAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F 82150739 FSIDJOFCUKTZSW-HNAYVOBHSA-N 382.483 4.191 0 1 GIAF Cc1ccccc1CNc1ncnc2c1nc(C1CC1)n2CC[C@@H]1CCCN1C 82180532 IFYZQJDMFBNURT-IBGZPJMESA-N 390.535 4.109 0 1 GIAF Cc1ccc(-n2nc(C)c(CC(=O)NCc3ccc(F)cc3Cl)c2C)cc1 95565083 VGBWAGWGPKAKPV-UHFFFAOYSA-N 385.870 4.449 0 1 GIAF Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1ccc(OCC(=O)O)c(F)c1 473086965 JDQRCQUDNBMUCU-CQSZACIVSA-N 389.423 4.127 0 1 GIAF CCOC(=O)c1cc(-c2ccc(OC(=O)NC3CCCCC3)cc2)nn1CC 299857529 FJHGLNWJVBEZNE-UHFFFAOYSA-N 385.464 4.168 0 1 GIAF COc1cc(NC(=O)[C@H](C)n2ncc3c(=O)oc4ccccc4c32)ccc1Cl 299823648 RPUUERRTFZTESM-NSHDSACASA-N 397.818 4.004 0 1 GIAF COC(=O)c1ccc(OC(C)C)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587398865 FYNULEAYIZDBRI-QFIPXVFZSA-N 383.444 4.032 0 1 GIAF COC(=O)c1ccnc2[nH]c([C@@H](Nc3ccccc3)c3ccccc3F)nc12 587148677 DDKCVTCUYNWACI-KRWDZBQOSA-N 376.391 4.085 0 1 GIAF CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)C(F)(F)C(F)(F)F 587650363 SWUFCAZZYJOWCG-UHFFFAOYSA-N 397.365 4.249 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(OC)c(C)cc3[nH]2)cc1 587041454 FTKNDUQYDKPTPG-GOSISDBHSA-N 397.500 4.166 0 1 GIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCCN1C(=O)OC(C)(C)C)CC2=O 587478472 SIYNXKKCMKOQQQ-APWZRJJASA-N 389.492 4.468 0 1 GIAF Cc1cc(Br)ccc1-n1cccc1-c1nc2nc(Cl)c[nH]c-2n1 586980530 WAQYHPOGAXXQJZ-UHFFFAOYSA-N 388.656 4.487 0 1 GIAF Fc1c(Br)ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587040268 GTDZLTYIZLCPEN-KBPBESRZSA-N 392.297 4.411 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCn1nc(C)cc1C 587862449 ATPWWGWHEYGATE-UHFFFAOYSA-N 392.381 4.121 0 1 GIAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H](N)C(C)(C)C)[nH]c4c3)o2)cc1 587259498 SMYKFZUIMSEAFT-QGZVFWFLSA-N 377.448 4.334 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OC(F)(F)C(F)F)[C@@H](C2)C3=O 587419603 CZTGTMFLUUTZQN-YVEFUNNKSA-N 382.309 4.421 0 1 GIAF Cc1ccc2nc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[nH]c2c1 587588806 LSVNYODCIPUMRY-AUSIDOKSSA-N 386.407 4.454 0 1 GIAF CC(C)Oc1cc2nc(-c3cnc([C@H](C)O)s3)[nH]c2cc1Br 587021321 HIYXHBJTBVFLNK-QMMMGPOBSA-N 382.283 4.289 0 1 GIAF C[C@]1(CCc2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605564 BCVWCFBXAAQHGQ-NZQKXSOJSA-N 376.408 4.451 0 1 GIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2c(Cl)cccc2N2CCCCC2)N1 962898940 NBWIMAHJWJGCLE-PXNSSMCTSA-N 388.870 4.158 0 1 GIAF CCCC(CCC)N1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CC1 13561107 HYRYASYRSWOAIL-UHFFFAOYSA-N 378.944 4.416 0 1 GIAF COc1ccc2c(c1)CCN[C@H]2CCCC[C@@H]1NCCc2cc(OC)ccc21 169325968 ODNILEIXZDOZKV-ZEQRLZLVSA-N 380.532 4.338 0 1 GIAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@@H]4[C@H](C2)N(CC2CC2)CC[C@@]341 169331968 IYMLCJZYVKMKSH-XCUDUSTGSA-N 398.506 4.458 0 1 GIAF CCOC(=O)c1c(-c2ccccc2)nc(C)c([C@H](O)OCC)c1-c1ccccn1 169715349 GNYJSBFZJBOYEN-JOCHJYFZSA-N 392.455 4.323 0 1 GIAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(F)cn3)cc21 1857628819 CGGZHNVEWJZCQG-UHFFFAOYSA-N 393.374 4.177 0 1 GIAF COC(=O)CCc1ccc(OCc2oc(-c3ccccc3OC)nc2C)cc1 1857639483 DZHLDLVIMLRUBO-UHFFFAOYSA-N 381.428 4.343 0 1 GIAF COc1cccc(CSC(=S)NCc2nc(O)c3cc(C)sc3n2)c1 1857747595 JIQPTQPDZPOLKY-UHFFFAOYSA-N 391.543 4.022 0 1 GIAF Fc1ccc(Cn2nnc3c2CCN(c2ccc(C(F)(F)F)cc2)C3)cc1 1857772237 BAQUCMONBLVCEU-UHFFFAOYSA-N 376.357 4.047 0 1 GIAF O=C(CCC(=O)n1ncc2ccc(Cl)cc21)N[C@@H]1CCCc2ccccc21 6768493 NQVOGBIPTTWWSF-GOSISDBHSA-N 381.863 4.304 0 1 GIAF COc1ccc([C@@H]2CC(c3cc4ccccc4nc3C)=NN2C(C)=O)cc1OC 103273640 RTXOSMSWZRCTJT-NRFANRHFSA-N 389.455 4.258 0 1 GIAF Brc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114335342 RKFCSIVIFMVTFQ-SFHVURJKSA-N 385.309 4.402 0 1 GIAF Brc1cnn2c(NCOc3cccnc3)cc(-c3ccccc3)nc12 28959130 DJTAYMHBNPHQLL-UHFFFAOYSA-N 396.248 4.002 0 1 GIAF Cc1c(C)c2ccc(OCCCN3CCN(c4ccccc4)CC3)cc2oc1=O 27109770 LNAQGJPALKPMLJ-UHFFFAOYSA-N 392.499 4.001 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)O)CC[C@@]32O)C1 2356471430 WXPLTPNJECKYBN-CZNFCUOYSA-N 378.553 4.073 0 1 GIAF CC=C(C)C(=O)O[C@@H](c1cc2c(c(OC)c1)COC2)[C@@H](C)OC(=O)C(C)=CC 2356514414 FPNDMJFSLCQGMU-FOIQADDNSA-N 388.460 4.174 0 1 GIAF CC(=CCc1cc(C(=O)O)ccc1O)CCC=C(C)CC[C@H](O)C(C)(C)O 2356689791 YYGRLLZNBMWBAX-FQEVSTJZSA-N 376.493 4.218 0 1 GIAF CCOc1ccccc1-c1nc(CNCc2cc(OC)c(OC)c(OC)c2)co1 72139702 XRXFLTZXPJNONN-UHFFFAOYSA-N 398.459 4.056 0 1 GIAF Cc1nc(CN(C)c2ncnc3cc(-c4ccc5c(c4)OCO5)ccc23)cs1 36382595 UREVGNFBUMFWPB-UHFFFAOYSA-N 390.468 4.427 0 1 GIAF CCOC(=O)c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 45196397 MEPOOKVQDJKKOW-IFXJQAMLSA-N 395.421 4.136 0 1 GIAF COc1cc(NC(=O)CCCCOc2cccc(Br)c2)ccn1 299868561 RTYHBMARWHFBIT-UHFFFAOYSA-N 379.254 4.041 0 1 GIAF CCN(CC)c1ccc(-c2nn(C(=O)C(C)(C)C)c(=O)c3ccccc23)c(O)c1 587667987 WWQDVJOPEVANAA-UHFFFAOYSA-N 393.487 4.302 0 1 GIAF CS(=O)(=O)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587954886 BURUWHOIAYPHMS-LJQANCHMSA-N 376.481 4.341 0 1 GIAF O=C(c1ccc(Cl)nc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656055 VJEICZSITRWRQY-UHFFFAOYSA-N 397.768 4.079 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C(=O)OC)(c1c(C)[nH]c3ccccc13)CC2=O 587485966 SHLFPXHQWWOSQG-QHCPKHFHSA-N 393.439 4.168 0 1 GIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(C)nc4[nH]3)c2)cc1 586931363 RXZVSZMSFYRYFZ-UHFFFAOYSA-N 392.484 4.067 0 1 GIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(F)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587238400 DAYOIJIVMZIREL-FQWGINHLSA-N 389.471 4.257 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1 587059820 YNNBUEYZILNNDB-UHFFFAOYSA-N 391.924 4.032 0 1 GIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cnc3ccccc3c2[nH]1 587042789 MJBZDLTZZLHMHE-MRXNPFEDSA-N 380.860 4.420 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(C(=O)O)cc32)N1 587827104 NQJNDNONHFNECE-DGIBIBHMSA-N 390.252 4.010 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(C)nn(C)c3nc1Cl)CC2=O 587460835 KIBSDHILIDMSCP-KRWDZBQOSA-N 385.851 4.295 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3(CCOCC3)CC2)N1 587832711 CCYRIQCCAOSLLW-ORAYPTAESA-N 380.301 4.465 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cc(C)cc(F)c2[nH]1)c1ccc(Br)cc1 586985831 SKRDZLGBUDAUMK-HNNXBMFYSA-N 390.256 4.193 0 1 GIAF c1ccc(Cc2ncc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)s2)cc1 587021338 ILJOMMWWZUHKLF-UHFFFAOYSA-N 390.512 4.109 0 1 GIAF CCOc1ccc(OCC)c([C@@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1 962568678 LERHUSHCJZTDEB-WNSKOXEYSA-N 385.504 4.467 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cc2ccc(Cl)cc2nc1O 963257584 KZVHBIVODXJROD-GOSISDBHSA-N 375.255 4.491 0 1 GIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1cn2cccc(Br)c2n1 963093802 BCCAIYDLLJNHRM-KDOFPFPSSA-N 386.268 4.346 0 1 GIAF COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)[nH]c3ccccc23)cc1 13477351 XUIMZWHJUVXRFX-UHFFFAOYSA-N 378.453 4.158 0 1 GIAF CN1C(=O)[C@H](NC(=O)c2cc3cc(-c4ccccc4)ccc3[nH]2)Cc2ccccc21 13587908 VEXJZPDEENFCNR-JOCHJYFZSA-N 395.462 4.152 0 1 GIAF O=C(NCc1ccncc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959154 CADGSMIYKABFOV-UHFFFAOYSA-N 377.835 4.050 0 1 GIAF Cc1c(NC2CCC(N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 3987090 RVONHYLJCYPGQH-UHFFFAOYSA-N 388.878 4.256 0 1 GIAF CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(Cl)cn2)[C@H]1c1cccs1 6875287 NYZOSBLGRGWUQP-ZWKOTPCHSA-N 397.887 4.346 0 1 GIAF CONC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 38496268 IGMMMLUHECJTEB-ZRDIBKRKSA-N 385.427 4.163 0 1 GIAF COc1cc(OC)nc(Oc2ccc(C)cc2C(=O)c2ccc(Cl)cc2)n1 40401993 UVTPTGUFBYNXCY-UHFFFAOYSA-N 384.819 4.479 0 1 GIAF OCCNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Cl)cc(F)c1N[C@H]2c1ccccc1 49784410 CGEBAEQLGLRATL-DFPKUZHUSA-N 390.886 4.064 0 1 GIAF COC(=O)[C@@]1(Cc2cccc(C(F)(F)F)c2)CC(=O)O[C@]1(C)c1ccccc1 73167295 PSEUHRVPNNBMDC-WOJBJXKFSA-N 392.373 4.270 0 1 GIAF CCCOc1ccc(-c2cc(OCCN3CCOCC3)c3ccccc3n2)cc1 96271010 UEZMZCBRXXSOOV-UHFFFAOYSA-N 392.499 4.402 0 1 GIAF O[C@@H](CNc1cc(-c2ccc(C(F)(F)F)c(F)c2)ncn1)c1ccccc1 103261213 MTEBDARWCYAFDR-KRWDZBQOSA-N 377.341 4.447 0 1 GIAF N#Cc1cc(OC(F)(F)F)cc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)c1 117405878 XAERKLIJSNPEDC-MRXNPFEDSA-N 386.333 4.120 0 1 GIAF CC[C@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@@H]1c1ccccn1 169343408 PLEATYFGVZEHES-YMTOWFKASA-N 380.227 4.206 0 1 GIAF Cc1cc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1F 586939245 SFXLKFDGGCRAIW-KRWDZBQOSA-N 395.887 4.339 0 1 GIAF Clc1cnc(Br)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)n1 587005871 XKZBXTXXVJTTTO-UHFFFAOYSA-N 379.432 4.138 0 1 GIAF CCOC(=O)C[C@@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096319 CKVOKSGPTXSUEM-SFHVURJKSA-N 387.435 4.380 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc4c(cc3nc1Cl)OCCO4)O2 587380311 SLTYVFOJYTWWDE-QGZVFWFLSA-N 396.830 4.257 0 1 GIAF COc1c(Br)ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F 587383221 ZJPACSRLNUPCAG-CQSZACIVSA-N 380.213 4.194 0 1 GIAF CCOc1cc(N(CC)CC)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429734 QVIRDOUDIAPAIT-JPYJTQIMSA-N 381.472 4.429 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C=O)c(O)c4)cc1)[C@@H](C2)C3=O 587453514 ZCPBGEGLTVCRQN-YADARESESA-N 386.403 4.369 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2CC[C@H]1N(Cc1ccccc1)C2 587488664 RKZMOBSEBSMYCV-VXWZWFMZSA-N 377.484 4.343 0 1 GIAF CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587588253 QERSKZKNMIXDDT-SIKLNZKXSA-N 377.396 4.063 0 1 GIAF CC(=O)Oc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599844 ICJIYAANXQGGII-NZQKXSOJSA-N 390.391 4.195 0 1 GIAF Cc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587655885 GUSRDOYJPAXSLH-UHFFFAOYSA-N 376.362 4.339 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(Cl)cc2)N1 587699576 LBTZVQASSYCLMI-BMLIUANNSA-N 384.676 4.012 0 1 GIAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F 587721624 PVKJUXAMOUMZCK-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cccn2)(C(C)(C)C)N1 587762711 ZSGUPLKZPFWGBJ-XIKOKIGWSA-N 380.305 4.261 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C(=O)O)C(C)(C)C2)N1 587825004 FJWSUYOLTSYOPF-GDAOTKPNSA-N 384.289 4.229 0 1 GIAF COc1cccc([C@@]2(OCC3CCCCC3)SC=C(C)n3c2noc3=O)c1 653905142 GGRCSNVIQUQMQA-HXUWFJFHSA-N 388.489 4.208 0 1 GIAF Cc1ccc([C@@]2(c3ccc(O)cc3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963020470 GBQULBRAWJOHRM-GKVSMKOHSA-N 384.479 4.046 0 1 GIAF CCC[C@@]1(CC(=O)OC)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817515 OCZRBYMZBRMLGB-DEOSSOPVSA-N 392.499 4.451 0 1 GIAF O=C(Nc1cccc(CN2CCC(C(=O)NC3CCCCC3)CC2)c1)C1CCC1 1772581627 XZHAIDMIRVVWCN-UHFFFAOYSA-N 397.563 4.086 0 1 GIAF C[C@H]1[C@H](NC(=O)OCCCCC2CCCCC2)C(=O)N1OC1CCCCC1 1772601699 SIEWSAHKEYQEAD-LPHOPBHVSA-N 380.529 4.327 0 1 GIAF CNC(=O)c1ccc(Oc2ccc3c(C)c(C(=O)OC(C)C)sc3c2)cn1 1772609044 XLZNHZBIZBJAJV-UHFFFAOYSA-N 384.457 4.322 0 1 GIAF COc1ccc2c(c1)CCN(c1cccc(-c3nc4cc(OC)ccc4[nH]3)n1)C2 1857549986 JFVPJYHTMWUGOU-UHFFFAOYSA-N 386.455 4.205 0 1 GIAF Cc1ccc(C(=O)Nc2sc(C(=O)Nc3ccccc3)c(C)c2C(N)=O)s1 1857551805 GTCDLRJSHSZLCC-UHFFFAOYSA-N 399.497 4.030 0 1 GIAF COc1cc(-c2cnc3ccc(Cc4ccccc4)nn23)cc(OC)c1OC 1857582155 KFPRCJLJFOJXAM-UHFFFAOYSA-N 375.428 4.013 0 1 GIAF Oc1ccc2c([C@H](O)CNCCCc3ccc4ccccc4c3)ccc(O)c2n1 1857596262 DKVWUTVZDWXCEK-JOCHJYFZSA-N 388.467 4.055 0 1 GIAF CC(C)[C@]12C[C@@H](O)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@H]2OC(=O)C=Cc1ccccc1 2356402957 VWHNJBKOOIZSEF-GHCRRHGUSA-N 384.516 4.222 0 1 GIAF O=C(c1cc2ccccc2[nH]1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 2356608864 WBRTWSCEFCHASR-ZZTDLJEGSA-N 375.516 4.203 0 1 GIAF CCOc1ccccc1C1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N(C)C 771959 IZGGVUXLSMMTSF-PKOBYXMFSA-N 390.842 4.058 0 1 GIAF CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)N[C@H]1CCCC[C@@H]1O 775617 OITOAASEOFPTFR-GJZGRUSLSA-N 394.874 4.465 0 1 GIAF Cc1cc(NC(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c23)no1 1340400 UEYJIDFDGLNJJZ-UHFFFAOYSA-N 376.507 4.459 0 3 GIAF C[C@H](N)C(=O)N1CCCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 3823290 ZWZNNGSIKNFQSW-QFBILLFUSA-N 388.404 4.023 0 1 GIAF O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)c1cccc(F)c1 4922825 ORAARQDOHVSIAU-UHFFFAOYSA-N 375.447 4.405 0 3 GIAF CCOC(=O)c1cc(C)n(CC2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1C 6942008 CZVYOQGMDUIIRN-PBPGXSGUSA-N 388.552 4.347 0 1 GIAF CCOc1ccc2c(c1)SC1=N[C@](c3ccccc3)(C(F)(F)F)NC(=O)N12 6962280 TYWGVUOCJPYFQT-QGZVFWFLSA-N 393.390 4.492 0 1 GIAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)COC1c3ccccc3CCc3ccccc31)C2 101631212 ZLBYCENAJCLADM-WOJBJXKFSA-N 391.511 4.060 0 1 GIAF FC(F)(F)c1ccc2nc(N3CCNCC3)c(Sc3ccccc3)nc2c1 25967429 OBRJYVVLWMQMIE-UHFFFAOYSA-N 390.434 4.209 0 1 GIAF CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cnn(C)c4)c3c2C)cc1 28569438 ZLPPGUFKCSTQNE-UHFFFAOYSA-N 390.491 4.090 0 1 GIAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C(=O)C[C@H]2c1ccc(=O)oc1 2356529632 NTLOERPHSXBROY-FTCQUIPXSA-N 384.516 4.306 0 1 GIAF COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 36384285 KCVPYLOTKBPXRJ-PZJWPPBQSA-N 390.483 4.123 0 3 GIAF Cn1cc([C@H]2CCN([C@@H]3Cc4cccc5cccc3c45)C[C@@H]2O)c2cccnc21 36221544 VOHINDSZXQXORW-YSZBQJHXSA-N 383.495 4.174 0 1 GIAF O=S(=O)(Nc1cccc(OCc2nc3ccccc3s2)c1)C(F)(F)F 40505974 MUNDLIJXBAXEAF-UHFFFAOYSA-N 388.392 4.137 0 1 GIAF c1csc(CNc2ncnc3c2nc(-c2cccs2)n3C[C@H]2CCCO2)c1 82190528 ZROWTGWBRGLTKO-CYBMUJFWSA-N 397.529 4.407 0 1 GIAF CCOc1cccc(C2(N3CCN(c4cccnc4)CC3)[C@H]3CC(C)C[C@H]32)c1 96272394 CUKMJOAAPROTTA-SYQRVOMBSA-N 377.532 4.174 0 1 GIAF Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(S(C)(=O)=O)cc2)cc1 95564186 QBZVBEGQOWKIBV-OAQYLSRUSA-N 392.480 4.170 0 1 GIAF CC(C)c1ccccc1OCCN1CCC(NC(=O)c2ccc(F)cc2)CC1 653696831 HEYFBJDCLPTMGF-UHFFFAOYSA-N 384.495 4.222 0 1 GIAF COc1ccc(C(C)(C)[C@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653766951 MWHMLNOXKUIYCI-HXUWFJFHSA-N 399.487 4.303 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc(N)ccc32)N1 587744992 ITKWEAOTNMDSFW-NSPYISDASA-N 375.285 4.285 0 1 GIAF CC(C)N1CCc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2C1 587534940 GNIOTFJOABYVPT-IBGZPJMESA-N 382.529 4.495 0 1 GIAF COc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587700044 UHYCZVZWEJZXFM-ANRSDYALSA-N 385.664 4.269 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)cc1F)CC2=O 587467072 PVUVPGADGJJZSR-OAQYLSRUSA-N 385.435 4.027 0 1 GIAF CCC[C@H](C)OC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587788798 AMPCIEMNZHODSR-SOZUMNATSA-N 386.305 4.460 0 1 GIAF CCOc1cc(O)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587801634 MVSSGPDKUQPDLA-MGNBDDOMSA-N 380.257 4.316 0 1 GIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587069227 GDSHRXUQJBZNOU-MRXNPFEDSA-N 391.906 4.333 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CCC[C@@H](C1)N3Cc1ccccc1)O2 587401617 ULBWIACJPREDCR-OALUTQOASA-N 376.500 4.498 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)CC(C(=O)O)C3)N1 587828731 UXYGRAOTTAVNTC-GXMYENCNSA-N 396.300 4.373 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)([C@H](C)C(=O)OC)CC2=O 587475611 BECURCSXTUTJPF-FATZIPQQSA-N 398.455 4.023 0 1 GIAF CCS(=O)(=O)Nc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531715 IXNCXSUIRUECTF-JOCHJYFZSA-N 399.512 4.208 0 1 GIAF C[C@]1(c2nc3ccc(F)c(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174425 PIDHMQOFZFWVGY-QGZVFWFLSA-N 393.187 4.232 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(Br)=COc2ccc(F)cc21 587383658 DLGYGFYOFAQMBO-GOSISDBHSA-N 390.208 4.206 0 1 GIAF COc1ccccc1/C=C1\N2CCC(CC2)[C@]12CC(=O)c1cc(C)cc(N)c1O2 587395624 SPKQGMJOGLABRM-RWTNITNYSA-N 390.483 4.057 0 1 GIAF CCOC(=O)c1c(-c2c(F)c(F)c(F)c(F)c2F)[nH]c2c(C(=O)O)cccc12 587638562 ZWOIELULSKBUMS-UHFFFAOYSA-N 399.271 4.405 0 1 GIAF CCOC(=O)C[C@@]1(C2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596778 OTXZIEZPYZNRKW-OFNKIYASSA-N 396.439 4.236 0 1 GIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(N)c1C 587581860 XMCSBKMSZMUABK-XXBNENTESA-N 391.423 4.168 0 1 GIAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C(C)C 587584287 ZHNQDDZTGIJOOB-KNQAVFIVSA-N 378.428 4.355 0 1 GIAF Cc1nc2ccccc2nc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587780301 ZYCOVSAXTCKSFF-GIGQVBGESA-N 386.268 4.463 0 1 GIAF C[C@H](O)[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587696162 CXFQQNWQGCDDIN-LIBAHTEVSA-N 398.703 4.400 0 1 GIAF Cc1cn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)nc2s1 587617750 KULUXPUYVWLQBO-OXQOHEQNSA-N 392.436 4.421 0 1 GIAF CC(C)C[C@]1([C@@H]2CCCNC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595811 ONJCDJOBIQVASI-AYPBNUJASA-N 381.472 4.138 0 1 GIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Br)c(F)cc2[nH]1 586880650 ANVAIIHVYOOXIJ-UHFFFAOYSA-N 389.224 4.393 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C)c(C)cc3[nH]2)cc1 587043987 WYAQCXHBKLLDJF-LJQANCHMSA-N 381.501 4.466 0 1 GIAF CC1(C)CC(Nc2ccccc2N)=C[C@@]2(C1)N[C@H](C(=O)O)Cc1cccc(F)c12 962903636 XJZOYOHOPGUCJO-CVDCTZTESA-N 395.478 4.018 0 1 GIAF Fc1ccc(-n2ncc([C@H]3c4ccsc4CCN3Cc3cccnc3)n2)cc1 963019848 YSWJCHYYSIKJEC-OAQYLSRUSA-N 391.475 4.011 0 1 GIAF O=C(O)CCCCC[C@@]1(c2cc(F)cc(F)c2)NCCc2ccc(O)cc21 963339790 CAZRGAVQPWEXEA-NRFANRHFSA-N 375.415 4.095 0 1 GIAF CC(C)(C)OC(=O)N1CC(F)([C@H]2NCCc3cccc(-c4ccccc4)c32)C1 962669943 PYPKXZNOIVHUPY-FQEVSTJZSA-N 382.479 4.499 0 1 GIAF CC(C)(c1ccccc1)[C@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972529 JGEWGLSRDWKXGV-FOIQADDNSA-N 379.834 4.410 0 1 GIAF CCC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCC[C@@H](C)C1 12642190 CGJMHQXJKFOQGH-UZLBHIALSA-N 378.524 4.188 0 3 GIAF O=C(CCC(=O)N1CCN(C2CCCCCC2)CC1)c1ccc(Cl)cc1 13561101 ZKRUNAFITAFCRA-UHFFFAOYSA-N 376.928 4.170 0 1 GIAF CC1=CS[C@@](OCc2ccccc2)(c2ccc(Cl)cc2)c2noc(=O)n21 13642027 FHMVWZNEGCQUDB-IBGZPJMESA-N 386.860 4.473 0 1 GIAF COc1ccc(-c2nc(C3=NNC(=O)CC3)sc2-c2ccc(OC)cc2)cc1 13735880 HXCNTFPNKWGNMS-UHFFFAOYSA-N 393.468 4.108 0 1 GIAF COc1ccc(C(=O)c2c(C)n(CCN3CCSCC3)c3ccccc23)cc1 13742521 ZTUHICMFEBMGTQ-UHFFFAOYSA-N 394.540 4.238 0 1 GIAF Cc1c(C(=O)c2ccc(Cl)cc2)c2ccccc2n1CCN1CCOCC1 13742547 OEFXBBIBIQDPED-UHFFFAOYSA-N 382.891 4.166 0 1 GIAF Cc1c(C(=O)c2cc3ccccc3o2)c2ccccc2n1CCN1CCOCC1 13742599 RXEVJTKPTYQXDL-UHFFFAOYSA-N 388.467 4.259 0 1 GIAF COc1ccccc1NC(=O)C[C@@]1(C)N=C(c2cccc3ccccc23)N(C)O1 205228310 UXWWTBZRPSABKI-QHCPKHFHSA-N 389.455 4.217 0 3 GIAF CCOc1ccc(-c2cnn(C(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1 1857575875 OQDZZSWXCAAEAA-UHFFFAOYSA-N 396.443 4.302 0 1 GIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CC(=O)O)[C@](C)(O)CC[C@@H]21 2356332700 ISGZIAHLYCQZFM-MMGCJVFTSA-N 380.525 4.334 0 1 GIAF Cc1ccc2c(c1)-c1onc(C(=O)N3CCCC[C@H]3c3cccnc3)c1CO2 6792936 IVCXFKFEMIEJHP-SFHVURJKSA-N 375.428 4.305 0 1 GIAF Cc1nn(CCc2nc(-c3ccco3)cs2)c2[nH]c(=O)cc(C(F)(F)F)c12 8607182 GDGXVOBKKYVQCD-UHFFFAOYSA-N 394.378 4.011 0 1 GIAF O=C(C1CC1)[C@H](c1ccccc1F)N1C(=O)S/C(=C\c2ccc(O)cc2)C1=O 103264297 XGAKNQQNYMJIMZ-PNDHZVEESA-N 397.427 4.288 0 1 GIAF O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCc3c(Cl)cccc31)CC2 28886354 PHIUGKIKOMWSRX-NRFANRHFSA-N 395.934 4.146 0 1 GIAF Oc1cccc(-c2c(-c3ccncc3)nn3c(C4C[C@H]5CC[C@H](C4)N5)ccnc23)c1 100095819 XDBBGTIPWPBPQD-RTBURBONSA-N 397.482 4.162 0 1 GIAF Cc1ccc(CNCC2(F)CCN(C(=O)C34CCCC(CCC3)C4)CC2)nc1 64527423 FCIDDIZCYAQZIH-UHFFFAOYSA-N 387.543 4.171 0 1 GIAF CCCCCc1cc2c(c(C(=O)NCC(N)=O)c1)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2 45371952 GCUHDOKPPLNQHJ-IEBWSBKVSA-N 398.547 4.245 0 1 GIAF CCCCC[C@](C)(O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC(=O)C(F)(F)CC/C=C\C[C@@H]21 40465280 JDUYYVZXUCCOCQ-WDUCWBJASA-N 386.479 4.158 0 1 GIAF O=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc(CN2CCCC2)cc1 45244856 RXUSHGWGUPCMPA-UHFFFAOYSA-N 378.447 4.151 0 1 GIAF CCOc1cc([C@@H](Nc2ccc(C(=N)N)cc2)c2ncc[nH]2)ccc1OC(C)C 137976768 BHBMIBBTFMPJDB-HXUWFJFHSA-N 393.491 4.081 0 1 GIAF CCN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccc(F)cc1 82141580 DIJWGZNYHIEVPF-UHFFFAOYSA-N 396.441 4.168 0 1 GIAF Cc1ccc(CCNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccco3)n2)cc1 82142191 SAEMXDVQNXKHMZ-UHFFFAOYSA-N 392.503 4.428 0 1 GIAF O=C(O)c1ccc(CNc2n[nH]c(Nc3cc(Cl)cc(Cl)c3)n2)cc1 220908035 GMYQYEPAYURFMV-UHFFFAOYSA-N 378.219 4.165 0 1 GIAF N#Cc1ccc(Oc2ccc(-n3cc(C[C@H](O)CO)c4ccccc43)cc2)cc1 146665245 DDBQOPSHFXNCCG-FQEVSTJZSA-N 384.435 4.190 0 1 GIAF O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 95893763 SULGBIVQAKFELB-ZLNRFVROSA-N 391.515 4.058 0 1 GIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2ccc(F)cc2F)n1 261071635 AFCKXOLHDSMNSQ-FQEVSTJZSA-N 396.393 4.281 0 1 GIAF CCC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](OC)c2ccccc2)cc1 299870600 WNZTYSXRFYQBCW-HSQYWUDLSA-N 385.504 4.039 0 1 GIAF Cc1c(C)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1O 587607857 IPYBSGCDLRBGMZ-MBSDFSHPSA-N 392.407 4.432 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCCc4cccc(Br)c41)[C@@H](C2)C3=O 587417074 JATGTVQBFOYXBE-XOBRGWDASA-N 385.257 4.437 0 1 GIAF Oc1nncc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c12 587069474 DLUWZVDQENVROY-TWGQIWQCSA-N 378.819 4.461 0 1 GIAF CC(C)n1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587761631 BLUYIUCWCIFBFJ-KPZWWZAWSA-N 380.305 4.358 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ncc[nH]2)N1 587790602 IRIJBOACOBVPRH-HXPMCKFVSA-N 386.268 4.137 0 1 GIAF Cn1cc([C@@]2(c3cccc(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587500339 BDQZMFGAJSCUBE-QHCPKHFHSA-N 376.431 4.347 0 1 GIAF CCOc1ccc(Br)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587377090 KVZTUYPCMMYITD-QGZVFWFLSA-N 376.250 4.445 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3cn(C)nc23)N1 587759674 LXQMONUURPCRAA-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4ccc(O)cc41)[C@@H](C2)C3=O 587452285 KNKUQLZQKCOXAC-DFBJGRDBSA-N 398.414 4.477 0 1 GIAF COc1ccc(OC)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587809239 RYLVPESLPZGJCQ-MLCYQJTMSA-N 380.257 4.229 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)(c2ccccc2Cl)N1 587693554 DUMMRWQRXRKPCX-BTDLBPIBSA-N 384.676 4.012 0 1 GIAF Cc1cc2c(cn1)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349298 UHYTVRDSCMEXTB-GGAORHGYSA-N 375.399 4.435 0 1 GIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C(F)(F)F)ncc4[nH]1)(C3)C2 587950866 OOVUXPDYAKGSRY-CCHVVGMOSA-N 379.382 4.130 0 1 GIAF O=C1C[C@@H](c2cc3cc4c(cc3nc2O)OCO4)Oc2c1ccc1c2CCCC1 587527282 RWKQYSIAEJVVTA-IBGZPJMESA-N 389.407 4.254 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(NC(=O)OC(C)(C)C)s1)O2 587412588 JKFKTRWCQUHCTL-ZDUSSCGKSA-N 375.450 4.087 0 1 GIAF COc1cccc(OC)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587808507 QJUXHEILZKREFV-XTZNXHDOSA-N 380.257 4.229 0 1 GIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 587051647 QSGJQNABBCNAOD-UHFFFAOYSA-N 375.787 4.315 0 1 GIAF C[C@]1(C[C@@H]2C[C@H]3CC[C@H]2C3)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962700385 JEKBDXZJHVDPCL-XIDLIOLXSA-N 385.401 4.485 0 1 GIAF C[C@@]1(CSc2ccccc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962675825 WZIZSKQFTDMPDV-PKTZIBPZSA-N 392.524 4.341 0 1 GIAF COc1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c(OC)c(OC)n1 962666397 MACYVVIBBPTYJG-OAQYLSRUSA-N 376.456 4.010 0 1 GIAF COc1cccc(C(=O)[C@@H]2CCCN(CC3=Cc4cc(OC)ccc4OC3)C2)c1 13593352 OZOBZXYHHIYAJK-LJQANCHMSA-N 393.483 4.075 0 3 GIAF COc1cccc(NC(=O)NCCCOc2cccc(CN3CCCCC3)c2)c1 13725194 GZJDRJSWKKELOI-UHFFFAOYSA-N 397.519 4.272 0 1 GIAF COc1ccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC 14970783 LMZMJYFRBVPBFO-UHFFFAOYSA-N 377.444 4.150 0 1 GIAF C[C@]12CC[C@@H]3[C@@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCCCC1 169714132 DAGOSUFXFGLMMG-YCSQAVAASA-N 384.564 4.272 0 1 GIAF CC[C@@H](C)CNC(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 201446738 FRAPSOIHLNRKQP-OAHLLOKOSA-N 387.553 4.100 0 3 GIAF O=C(c1ccc(Cl)cc1)N1CCN2Cc3ccccc3-n3cccc3[C@H]2C1 27521865 LLBNRPPLFILYDY-OAQYLSRUSA-N 377.875 4.143 0 1 GIAF Nc1nccc(-c2c(-c3ccc(F)cc3)[nH]c3cc(C4CCNCC4)ccc23)n1 45496191 PEHRQIJQFNPLJC-UHFFFAOYSA-N 387.462 4.480 0 1 GIAF Cn1cc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn23)cn1 96168207 KRMFCRHRRXQDDX-UHFFFAOYSA-N 382.427 4.171 0 1 GIAF CNC(=O)c1ccccc1-c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144740186 BWBGNVRXIYRVQS-OAQYLSRUSA-N 383.369 4.492 0 1 GIAF N#Cc1cc(C(=O)O)cc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 145463777 RTOPKVYJUWSIGT-UHFFFAOYSA-N 384.317 4.476 0 1 GIAF C[C@@H](N=O)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)c(C(N)=O)c2)c1 169728265 BYAXDVFUOONWNJ-LLVKDONJSA-N 388.855 4.323 0 1 GIAF C/C=C(/C)C(=O)O[C@@H](C)[C@@H](OC(=O)/C(C)=C\C)c1cc2c(c(OC)c1)COC2 238748277 FPNDMJFSLCQGMU-KPBAMNMISA-N 388.460 4.174 0 1 GIAF CN1CCN(c2ccc3nc(CCCCCCCCCCCO)[nH]c3c2)CC1 586894513 JLZSQUDFQBZKCX-UHFFFAOYSA-N 386.584 4.360 0 1 GIAF Cc1onc(-c2nc3c(C(=O)O)cccc3[nH]2)c1COc1ccccc1Cl 587063231 JHXZSGFFFLUYFD-UHFFFAOYSA-N 383.791 4.457 0 1 GIAF Clc1ccc(CN2CCC[C@H]2c2nc3nc(Br)c[nH]c-3n2)cc1 587073269 DYFBBFRKVPMIKR-LBPRGKRZSA-N 392.688 4.058 0 1 GIAF C[C@@]1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175298 XPNOJVNPKYSYSC-KRWDZBQOSA-N 380.297 4.229 0 1 GIAF Cc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1C 587187816 LAVGYXBOKZBYKH-UHFFFAOYSA-N 388.212 4.099 0 1 GIAF COc1cc(OC)c2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 587219199 NOKPKRKGYDAGIK-HXUWFJFHSA-N 387.439 4.100 0 1 GIAF COc1ccc(C)cc1NCCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 587229404 XCYHSVCAELVASC-UHFFFAOYSA-N 379.439 4.249 0 1 GIAF CC(=O)Nc1cccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587242869 WJLDHUDQOAANRW-UHFFFAOYSA-N 380.192 4.153 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4CCc4cc(O)ccc41)[C@@H](C2)C3=O 587449938 KKYJVLDNXBAING-SQJMNOBHSA-N 384.431 4.191 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H]([C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)CC2=O 587479988 VUUHVHHMOCJEGF-GCJKJVERSA-N 389.492 4.326 0 1 GIAF COc1ncc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498519 OIOGCSMXVDGYDV-KRWDZBQOSA-N 388.261 4.438 0 1 GIAF Cc1cc(=O)oc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(O)ccc12 587530704 GQXJIYKQJRRZEA-IBGZPJMESA-N 376.408 4.392 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1[nH]ccc1Br 587540430 ORFRSRUGFXITNZ-RDTXWAMCSA-N 386.201 4.186 0 1 GIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1F 587558112 PYCMBWCGPBNBRH-WIYYLYMNSA-N 384.334 4.382 0 1 GIAF Cc1cccc(OCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1C 587564201 OBICEEOGEZEVDK-UHFFFAOYSA-N 384.379 4.052 0 1 GIAF CC(C)COc1cccc(OCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587565906 MNJRIXKXUSXHGM-UHFFFAOYSA-N 376.359 4.498 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]c2nccc-2cc1F 587567189 FXLJNVUQUXOMDR-UZLBHIALSA-N 376.343 4.062 0 1 GIAF COc1cc2c(cc1F)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574101 YTLHYVNJRJMFIE-REWPJTCUSA-N 392.382 4.343 0 1 GIAF CCCCCNC(=S)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658979 XCQHKDNYFBAGGJ-UHFFFAOYSA-N 387.455 4.255 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3cn(C)nc23)N1 587756853 FXXNNELPKSPPKI-JEOXALJRSA-N 388.284 4.273 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3cccnc3c2)N1 587776176 BNRPHWHELZOZAB-NSPYISDASA-N 386.268 4.329 0 1 GIAF COc1ccc(-c2nc3cccc(I)c3[nH]2)c(OC)c1C 587786890 HSKHEGYBHMSBSX-UHFFFAOYSA-N 394.212 4.160 0 1 GIAF CCOC(=O)c1ccsc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587846956 VMWYXKJEGVPPQT-BJOHPYRUSA-N 398.297 4.450 0 1 GIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)c(Br)cc2[nH]1 587961392 FRNVXDCRXBJHEC-HTQZYQBOSA-N 386.087 4.246 0 1 GIAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1nc2ccccc2s1 963197089 XYUFCIQSHWRVER-FQEVSTJZSA-N 396.512 4.054 0 1 GIAF O=C(OCc1ccccc1)N1CCC[C@@H](C[C@@H]2NCCc3ccc(O)cc32)C1 963351191 FNVUNVJUSMZNIA-AVRDEDQJSA-N 380.488 4.018 0 1 GIAF Cc1nnc2n1-c1cnc(Nc3ccc(C(C)C)cc3)nc1N(C1CCCC1)C2 1857606863 SVYNQBDGFOUXDV-UHFFFAOYSA-N 389.507 4.495 0 1 GIAF O=c1cc(-c2ccccc2)oc2cc(OC[C@@H]3CS3)cc(OC[C@H]3CS3)c12 1857632983 ADBHQMYOHIXRRC-CVEARBPZSA-N 398.505 4.448 0 1 GIAF CC(C)[C@]12C=C3[C@H](O)C[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]3C[C@H]1OC(C)(C)O2 2356490127 XVQABXWHRIIOBL-ASDGGRSKSA-N 392.536 4.141 0 1 GIAF COc1cc(C(=O)O[C@@H]2CC(C)=CCC3=C(C)[C@](O)(C(C)C)C[C@@H]32)ccc1O 2356633004 JYYOKKXDQOIMGH-JXHRLWIKSA-N 386.488 4.390 0 1 GIAF COc1cc(CCC(=O)C[C@H](CC[C@H]2C=CC=C[C@H]2C)OC(C)=O)ccc1O 2356776467 WVDQLESPUBZZMA-BSIFCXSSSA-N 386.488 4.383 0 1 GIAF O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCc2sccc2C1 12431474 KLCGGIXYWABPKI-UHFFFAOYSA-N 392.839 4.306 0 3 GIAF COc1ccc(-c2nc(-c3ccc([125I])cc3)no2)cc1 101509931 DZTZRXWOWYIREQ-RFLHHMENSA-N 376.170 4.017 0 1 GIAF COc1ccc(-c2nn3c(COc4ccc(C)cc4)nc(=S)nc3o2)cc1 103176882 CMJIOIWWMQOXSA-UHFFFAOYSA-N 380.429 4.010 0 1 GIAF Cc1ccc(O)c(C2=CC3=NNC(=O)[C@H]3[C@H](c3cccc(Br)c3)C2)c1 102958497 GVBRBUVRHJSWLW-LPHOPBHVSA-N 397.272 4.136 0 1 GIAF CCC[C@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4cccc5c4[C@@]12CCN(C)[C@@H]3C5 27418045 ZWGNEGKIHHCRAQ-PJMAEZRHSA-N 379.544 4.343 0 1 GIAF COc1ccccc1CNc1nc(-c2ccccc2CO)c2sccc2n1 61905804 VMVXWMMDJAYZRV-UHFFFAOYSA-N 377.469 4.471 0 3 GIAF COc1ccc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)cc1CC=C(C)C 117205010 HYMQFPWZFNOJGG-UHFFFAOYSA-N 382.412 4.397 0 1 GIAF Cc1noc(C)c1Cn1cc(NC(=O)C(c2ccccc2)c2ccccc2)cn1 116674050 CWEYWDXIODSLJW-UHFFFAOYSA-N 386.455 4.307 0 1 GIAF O=C1Cc2c(c3cc(C(F)(F)F)ccc3[nH]c2=O)-c2cc(Cl)ccc2O1 28526703 UGMKZYJIDVMZEA-UHFFFAOYSA-N 379.721 4.329 0 1 GIAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1ccc(C)cc1Br 2356298547 KIIBPNLBELDIBA-ILXRZTDVSA-N 396.398 4.164 0 1 GIAF O=C(N[C@H]1CCN(CCc2ccc(Cl)cc2)C1)C12CC3CC(CC(C3)C1)C2 26495767 BDIRBTIHOFXWTG-FCSDKFEESA-N 386.967 4.289 0 1 GIAF CCCC(=O)c1cnc2c(OCCO)cccc2c1Nc1ccc(O)cc1C 26669003 JVNWZTKHGIXKON-UHFFFAOYSA-N 380.444 4.346 0 1 GIAF Cc1cc(C)c2oc(NC(=O)CC3CCN(C(=O)OC(C)(C)C)CC3)nc2c1 66104910 SXUWHZITUVQVJR-UHFFFAOYSA-N 387.480 4.420 0 1 GIAF O[C@@H](COc1cccc(-c2ccc3[nH]ncc3c2)c1)CN1CCc2ccccc2C1 219735189 VEXLUJFDKVPWTG-HSZRJFAPSA-N 399.494 4.028 0 1 GIAF C[C@@H](CCC1CCN(Cc2ccc3c(c2)Nc2nccnc2S3)CC1)C(=O)O 38359016 GFMKRMHHQGGHBQ-AWEZNQCLSA-N 398.532 4.398 0 1 GIAF Cc1ccc(CNc2ncnc3c2nc(C2CC2)n3CC[C@@H]2CCCN2C)cc1 82179397 JUEOBKYFAIDQOY-IBGZPJMESA-N 390.535 4.109 0 1 GIAF COCCn1c(C2CCCCC2)nc2c(NCc3ccc(F)cc3)ncnc21 82185692 QHMNXVCLHRGQNC-UHFFFAOYSA-N 383.471 4.272 0 1 GIAF Cc1ccc(S(=O)(=O)n2ccc(-c3c(-c4ccc(F)cc4)noc3C)n2)cc1 199256229 HTPZGSABLDKTQO-UHFFFAOYSA-N 397.431 4.198 0 3 GIAF CC(C)(C)[C@H]1CC[C@H](NC(=O)N2CCN(c3ncccc3Cl)CC2)CC1 253641083 OYWBBTWPTZBRPZ-WKILWMFISA-N 378.948 4.172 0 1 GIAF COC(=O)c1cc2[nH]c(-c3ccc(CO)cc3)nc2c(F)c1Nc1ccccc1 586895223 AGNRSCHBDRJJFQ-UHFFFAOYSA-N 391.402 4.392 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CCC(=O)O)cc2)N1 587829630 RQIKACGARJVNJH-WYRIXSBYSA-N 392.268 4.229 0 1 GIAF CCC[C@]1(C2CCNCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346982 KGXXZCATJXPZDP-FYYLOGMGSA-N 383.463 4.429 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc(/C=C\c3ccc(F)cc3F)nc-2[nH]1 587151537 RYAPFEKVXQDWGW-CLFYSBASSA-N 379.370 4.071 0 1 GIAF COc1nc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554391 XERHIXQRPQXRFL-LPHOPBHVSA-N 383.787 4.152 0 1 GIAF CC(C)(C)c1ccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c2c1 586923057 XDRUHYKEWTXQMT-UHFFFAOYSA-N 382.529 4.366 0 1 GIAF O=C(O)c1cc(F)cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c12 587782521 ODVBYHGLIBLUJW-UHFFFAOYSA-N 378.359 4.352 0 1 GIAF O=C1CCc2cc3nc(/C=C/c4c(F)c(F)c(F)c(F)c4F)[nH]c3cc2N1 587133976 GVYLDMRCWMXRIH-NSCUHMNNSA-N 379.288 4.314 0 1 GIAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(Br)cc(Cl)c2[nH]1 587094717 UBHRJPOPFYODLY-YFKPBYRVSA-N 384.583 4.108 0 1 GIAF CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1Cc1ccco1 587517369 MBAPUIYNUPUOIJ-QHCPKHFHSA-N 377.440 4.199 0 1 GIAF CCOc1ccccc1[C@@](N)(c1nc2ccc(C(C)(C)C)nc2[nH]1)C(F)(F)F 587092958 PGLKXHUPECSKQP-LJQANCHMSA-N 392.425 4.419 0 1 GIAF O=C1CSc2ccc(-c3nc4cc(F)cc(Br)c4[nH]3)cc2N1 587042266 BZPMMOAXDSRTMB-UHFFFAOYSA-N 378.226 4.176 0 1 GIAF CN(C)CCOc1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587092640 XWKRLGLWIFWJET-UHFFFAOYSA-N 396.438 4.220 0 1 GIAF C[C@@H](Oc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(=O)O 587526591 YJJOVTDQCAIAIR-QKFKETGDSA-N 380.440 4.298 0 1 GIAF COc1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cc1Cl 587028988 DSZDDVFGFYPQQS-UHFFFAOYSA-N 386.864 4.375 0 1 GIAF COC(=O)C[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587805607 IAHKBZXXVPVOKA-RRUGBERISA-N 384.289 4.071 0 1 GIAF COc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587592714 JTCVRNYUPHRHCS-NZQKXSOJSA-N 392.407 4.421 0 1 GIAF O=C1C[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587147912 CWJXQKMEUZIASC-NSHDSACASA-N 395.331 4.376 0 1 GIAF CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCC2)[C@H]1c1c[nH]c2ccccc12 2469387 CPUXQGIRJMCVBT-FCHUYYIVSA-N 387.483 4.137 0 1 GIAF Cc1cc(F)c(Cl)cc1NC[C@@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 1857566216 PJKDFQYNBVBUQX-RDTXWAMCSA-N 396.915 4.287 0 1 GIAF Cc1cc(N2CC[C@]3(CCN([C@H](C)c4ccc5c(c4)OCCO5)C3)C2)cc(C)n1 1857604783 NYDMOOQKCUYFHM-DVECYGJZSA-N 393.531 4.133 0 1 GIAF Cc1ccc2c(ccc3[nH]cc(CNc4ccc(NS(C)(=O)=O)cc4)c32)n1 1657717 ICNHBZYZNGJVTR-UHFFFAOYSA-N 380.473 4.008 0 1 GIAF CC(=O)OCC/C=C/C=C/C=C/CCc1ccc(OC(C)=O)c(OC(C)=O)c1 13339823 IKBCWIYBJPDKHH-WUJFNTSISA-N 386.444 4.092 0 1 GIAF CO[C@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCCCC1 13529089 IBROBEZGYAHQTA-FYYLOGMGSA-N 383.532 4.233 0 1 GIAF CN(C)CCc1c[nH]c2ccc(NS(=O)(=O)c3cccc4ccccc34)cc12 13611720 VIFGXFJFKMSNKU-UHFFFAOYSA-N 393.512 4.226 0 1 GIAF O=C1O[C@H](c2ccccc2Cl)[C@@](Cn2cncn2)(c2ccccc2Cl)O1 26006448 BXYIZXJCUAYVBX-SJLPKXTDSA-N 390.226 4.389 0 1 GIAF Cc1nc(-c2ncn3c2CN=C(c2ccccc2)c2c(Cl)cccc2-3)no1 26389172 KOKMQHAJYJIDFH-UHFFFAOYSA-N 375.819 4.235 0 1 GIAF C[C@]12CC[C@]3(OCc4cccc(Br)c4)C[C@@H]1CCC[C@@]2(CO)O3 29487175 DFRVMDQTYMURIH-DSLXNQLJSA-N 381.310 4.414 0 1 GIAF Brc1cnc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 38424635 IRYINCVHUYEJBP-UHFFFAOYSA-N 380.249 4.395 0 1 GIAF CCCCNC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1 82132463 SOGBPPFMNXLAAN-UHFFFAOYSA-N 392.478 4.467 0 1 GIAF CC(C)n1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@H]1CC[C@@H](C2)N1 82153138 LFEAFGOATXWVAQ-HNAYVOBHSA-N 380.513 4.404 0 1 GIAF Cc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccc(F)c(Cl)c1 101556668 RVONHYLJCYPGQH-BETUJISGSA-N 388.878 4.256 0 1 GIAF CCOc1cc(CCn2cnc3c4cc(C)ccc4nc-3c2O)ccc1OC 103533815 OLKMVACWLNKORO-UHFFFAOYSA-N 377.444 4.200 0 1 GIAF Cc1nnc(N2CCC(Oc3cc(C(F)(F)F)ccc3Cl)CC2)nc1C 165986135 PRDNSHYLILKQEH-UHFFFAOYSA-N 386.805 4.208 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169324620 UVYBXVJYKDNRLY-KFVKPLSUSA-N 386.580 4.460 0 1 GIAF CS(=O)(=O)c1cc(C(=O)O)c(NCc2ccccc2)cc1Nc1ccccc1 169341361 WVJHXVHQYSCTEU-UHFFFAOYSA-N 396.468 4.144 0 1 GIAF CC(=O)N1Cc2nc(-n3c(C)cc4ccccc43)nc(NCc3ccccc3)c2C1 208135945 ROBRRYPDZPRDFQ-UHFFFAOYSA-N 397.482 4.203 0 1 GIAF c1ccc2c(c1)N[C@H]([C@@H]1[C@H]([C@H]3Nc4ccccc4S3)O[C@@H]3CCCN13)S2 263607832 SKSITQFSDMBHNB-RMMWZPCPSA-N 383.542 4.264 0 1 GIAF O=C1Nc2ccccc2/C1=C\c1cc[n+](Cc2cccc(Br)c2)cc1 299834916 SROROAWBHZEENT-UHFFFAOYSA-O 392.276 4.278 0 1 GIAF Cc1cc(N2CCC(NC(=S)Nc3ccccc3)CC2)c2ccccc2n1 299866116 OKFZVARNDOVISV-UHFFFAOYSA-N 376.529 4.499 0 1 GIAF Cc1ccc(/C=C/c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1F 587146451 MLCWFDKZRAFYCM-QPJJXVBHSA-N 384.354 4.474 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CN)(c1ccc([C@H](C)OCC)cc1)CC2=O 587473217 REACHQUTSJPVCO-WNSKOXEYSA-N 383.488 4.262 0 1 GIAF CNC(=O)COc1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587514965 YZTICDUJPMZWNY-NRFANRHFSA-N 393.483 4.014 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2c(cc1Cl)OCO2 587551444 FLHHTKXDQSCXJO-WIYYLYMNSA-N 396.782 4.477 0 1 GIAF CC(C)N(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587570006 HUVSJYQLFNIFPI-NFBKMPQASA-N 390.439 4.335 0 1 GIAF CCN(CC)[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587573654 UCFLZGZIOPPVKC-ZRCGQRJVSA-N 381.472 4.377 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(-c2ccccc2)no1 587585550 FYIFCRRLPYERRZ-YLJYHZDGSA-N 386.363 4.145 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3[nH]cnc(Cl)c2-3)N1 587705737 OHOXTMYBSDPYFY-UOWDBTKRSA-N 395.663 4.088 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(O)c(F)c2)N1 587723651 YHSXNSZTFBKLBR-WNWIJWBNSA-N 386.211 4.370 0 1 GIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805827 HWMNRFWFFIZQFV-NSPYISDASA-N 394.284 4.403 0 1 GIAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C=O)c1O 587823712 VOOJNQSLBOJOSS-QGHHPUGFSA-N 378.241 4.038 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1cc(C)cn1 587866246 HFIWHUUVAMFXDN-UHFFFAOYSA-N 392.381 4.203 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1cnn(-c3ccccc3C)c1)N(C)[C@@H](C)C2 962624831 LCVTZVNIMKQBRX-QMHKHESXSA-N 377.488 4.164 0 1 GIAF CCOC(=O)c1nc(C)sc1[C@]1(C)N[C@H](CC)Cc2c1[nH]c1ccccc21 962945899 HJIWQTPONKXVAT-LRTDBIEQSA-N 383.517 4.297 0 1 GIAF C[C@H](CC[C@@H]1NCCc2ccc(O)cc21)N(C)C(=O)OCC[Si](C)(C)C 963328198 DUNATJFTCRXLGC-BEFAXECRSA-N 378.589 4.154 0 1 GIAF O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(N3CCCCC3)ccc21 1857602606 RXEUMDMUKRZJPA-UHFFFAOYSA-N 393.487 4.165 0 1 GIAF Cc1c(C(=O)NN2C(=O)CS[C@]23CCCC[C@@H]3C)[nH]c2ccc(Cl)cc12 1911575807 FCBSKUHIWDNKTA-WLRWDXFRSA-N 391.924 4.256 0 1 GIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@@H]2[C@@]1(C)CO 2356424283 MIINYRAQNGHRNA-MGFHSNFOSA-N 378.509 4.110 0 1 GIAF CC(C)=CCC[C@](C)(O)[C@H](O)CCC(C)=CCc1cc(C(=O)O)ccc1O 2356484856 JXAFVRIAOQJYNY-IRLDBZIGSA-N 376.493 4.218 0 1 GIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@H]12)[C@H]1C[C@@H](C(=O)O)[C@H]3O1 2356796140 MWDJGWPPQHFEID-NSFZSTHBSA-N 388.504 4.262 0 1 GIAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 5734913 KXGVEGMKQFWNSR-IXXXIYJDSA-N 392.580 4.478 0 3 GIAF in-vitro O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4049934 UJFMWAPPYXSSDJ-TZIWHRDSSA-N 394.471 4.338 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)NCCO 4212797 NQJIAXUNYXPWFV-DHIUTWEWSA-N 394.515 4.476 0 1 GIAF CCCC=C1C(OC)=CC(=O)O[C@]12Cc1oc(=O)cc(OC)c1[C@H](CCC)C2 2356347474 STQISBYNTWSPOY-JLCFBVMHSA-N 388.460 4.031 0 1 GIAF CNc1nc(-c2cccc(NC(=O)c3ccco3)c2)cn1C(=O)OC(C)(C)C 103267342 LVVGMLWVACRKAD-UHFFFAOYSA-N 382.420 4.220 0 1 GIAF CCOC(=O)[C@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 61896509 VCQOEPRGGJPUDW-INIZCTEOSA-N 377.912 4.344 0 3 GIAF CNC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113656940 MGFSZAHJUZQYSI-UHFFFAOYSA-N 396.494 4.366 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)CCC[C@](O)(CO)[C@@H]2[C@@H]1OC(=O)C=Cc1ccccc1 2356508214 SHCWSGOALRNDNR-QJRASEFVSA-N 386.532 4.207 0 1 GIAF CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2ccc(C(=O)O)s2)cc1 36486340 BKVIUNNZVOCFGC-MRXNPFEDSA-N 387.501 4.456 0 1 GIAF COc1ccc(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 71318394 RQTSEHDYNZPYGE-UHFFFAOYSA-N 386.411 4.038 0 1 GIAF Cc1oc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccccc1Cl 40836227 ADTFUWLJJXOMFD-UHFFFAOYSA-N 397.884 4.060 0 1 GIAF CO[C@H]1C[C@@]2(CC[C@]3(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]23C)CO1 238742852 FZZTZQBZRHIDKL-CYIOOFRESA-N 394.552 4.471 0 1 GIAF O=C(c1ccc(Oc2ncccc2[C@H]2CCOC2)cc1)c1nc2ccccc2[nH]1 142745584 RLULHYKXDSLNFG-INIZCTEOSA-N 385.423 4.485 0 1 GIAF CCc1ccc(-c2ccc(CNCCP(=O)(O)O)nc2-c2ccccc2)cc1 96174494 JBIULGDAYSRKTQ-UHFFFAOYSA-N 396.427 4.245 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@]1(C)CC[C@H]2C1(C)C 587816964 GMEIZAJQKRURFS-XHACYQPTSA-N 380.301 4.343 0 1 GIAF O=C(/C=C/c1nc2cc(Br)c(F)c(F)c2[nH]1)Nc1ccc(F)cc1 587166675 GAOQHLNYLVTTKO-AATRIKPKSA-N 396.166 4.395 0 1 GIAF O=S(=O)(c1ccc2nc(CCCCc3cccc(O)c3)[nH]c2c1)C(F)(F)F 586896036 HABPXCTXXZMIQF-UHFFFAOYSA-N 398.406 4.127 0 1 GIAF COc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1OC 587017098 GRLHMDHBCXTTCP-UHFFFAOYSA-N 379.441 4.306 0 1 GIAF Cc1ncc(-n2c(O)cc(-c3cccc(Cl)c3)c2O)nc1Br 587939321 BRLKVLJCICIKPP-UHFFFAOYSA-N 380.629 4.070 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(F)c(Br)c2[nH]1 587043486 RKYJJUFEYXILID-JTQLQIEISA-N 386.290 4.085 0 1 GIAF CC(=O)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)c1 586988977 VAPDKZXJQRWGLI-UHFFFAOYSA-N 396.402 4.483 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H]2C([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2C1 587518337 GEDMEMBBEPUBBL-ZHALLVOQSA-N 383.488 4.012 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3nn(C)cc23)N1 587761141 SLYVBYOTXZQKRJ-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cncc(Cl)c4[nH]3)c2)c1 587232166 MGMVVCRIODKEJY-UHFFFAOYSA-N 376.847 4.229 0 1 GIAF CCn1ncc([C@]2(CC)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587763735 LRUMOXOGZMRROY-ZMZPIMSZSA-N 380.305 4.301 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-n3ccnc3)cs2)N1 587849690 VMVZYCKSPVJWKH-BMLIUANNSA-N 392.297 4.459 0 1 GIAF COC(=O)c1cc2[nH]c(Cc3ccc(C)c(C(F)(F)F)c3)nc2cc1OC 587095621 NJXROASSGLTUEU-UHFFFAOYSA-N 378.350 4.276 0 1 GIAF Clc1ccnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 586997867 DLXSZRVPXGDZLH-UPHRSURJSA-N 378.613 4.273 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3cc(C(F)(F)F)ccc3n1C)O2 587383816 VVHQOCBRJMNIPU-MRXNPFEDSA-N 375.350 4.189 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3nc[nH]c32)N1 587801208 DRCYUKGJHBZSLE-MLCYQJTMSA-N 378.289 4.062 0 1 GIAF CC1=C(Oc2ccccc2)[C@]2(NCCc3ccc(O)cc32)c2ccc(O)cc2O1 963342654 RDIMSPYWYNOFHF-DEOSSOPVSA-N 387.435 4.190 0 1 GIAF COc1cc([C@H]2NCCc3c2sc(C)c3C)ccc1OC(=O)c1ccncc1 963031023 SMYWJIMNFKQIPR-HXUWFJFHSA-N 394.496 4.223 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@]12CCC[C@@H](c1ccnn1C)C2 962369383 DAWFDIMZYSVONJ-VGOFRKELSA-N 380.561 4.432 0 1 GIAF Clc1cccc(C[C@]2(COc3cncc(Br)c3)CCCNC2)c1 1857589613 RXGBULCCROTTCB-GOSISDBHSA-N 395.728 4.489 0 1 GIAF COc1ccc2nc(-c3cccnc3-c3cc(OC)c(OC)c(OC)c3)[nH]c2c1 1857596320 MBTSUJWRLIRABZ-UHFFFAOYSA-N 391.427 4.326 0 1 GIAF O=c1c2ccccc2ncn1CCCn1c(Cc2ccccc2)nc2ccccc21 704302 YLKJQWMGOQDLRI-UHFFFAOYSA-N 394.478 4.427 0 1 GIAF Cc1cccc2sc(NC(=O)CCCN3C(=S)NC(C)(C)C[C@@H]3C)nc12 3654885 RNFPVSQFOQFUOH-ZDUSSCGKSA-N 390.578 4.071 0 1 GIAF CCOc1ccccc1C1=NOC[C@]1(C)C(=O)NCc1ccc(C(C)(C)C)cc1 4153794 FTIIGPQUPFTYKU-DEOSSOPVSA-N 394.515 4.440 0 1 GIAF CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc3nc(-c4ccccc4)oc13)C2 101372614 ZXDOWRQWHIUDFJ-QZTJIDSGSA-N 375.472 4.240 0 1 GIAF CCc1cc(CC)n(C[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)n1 118643215 YFGJKTCILASHFF-RHNCMZPLSA-N 388.943 4.354 0 1 GIAF CC[C@@H](CO)Oc1cc(NCc2ccccc2OC)c2ncn(C(C)C)c2c1 61948967 NWOBJDDCRODNLZ-KRWDZBQOSA-N 383.492 4.388 0 3 GIAF CC(C)C[C@H]1COc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1 72141277 BWZMLKKZIOCKPF-INIZCTEOSA-N 397.899 4.477 0 1 GIAF CCCC[C@H](C)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN[C@@H]3C5 40510524 YMMSTFUUPZBVDO-PQNMLEPYSA-N 395.543 4.097 0 1 GIAF COc1ccc(Oc2nc(NCc3ccco3)nc(N3CCC(C)CC3)n2)cc1 82066610 NQSVNIPTAVTQDQ-UHFFFAOYSA-N 395.463 4.114 0 1 GIAF NCCCCCNc1nc(Nc2cccc(F)c2)nc(-c2cccc(F)c2)n1 45390904 NJKACHMBWJJYDA-UHFFFAOYSA-N 384.434 4.101 0 1 GIAF CCSC(=S)SCC(=O)c1cccc(NC(=O)c2cccnc2)c1 40935867 ODEJQVXPGWPXQR-UHFFFAOYSA-N 376.528 4.288 0 1 GIAF Brc1cccc(/C=C/c2nnc(-c3ccc4c(c3)OCCO4)o2)c1 96269804 FXYKNQQGXRTHKG-QPJJXVBHSA-N 385.217 4.441 0 1 GIAF COc1ccc([C@H]2O[C@@H](CCc3ccccc3)Cc3[nH]c(=S)[nH]c(=O)c32)cc1 95567221 SCDSIMDTQVLGOA-FXAWDEMLSA-N 394.496 4.105 0 3 GIAF CC[C@H](C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(-n2ccnc2)c1=O 653790075 DCSRHXRFMMEINK-NSHDSACASA-N 378.810 4.074 0 1 GIAF O=C(O)c1ccnc2cc(OCc3ccc(Cl)c(OC(F)(F)F)c3)[nH]c12 653736197 ZMBZYRJHWCFIQA-UHFFFAOYSA-N 386.713 4.392 0 1 GIAF Fc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c(F)c1F 587001779 GYEKIUPXDGJKCW-UHFFFAOYSA-N 395.182 4.335 0 1 GIAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(Br)c(F)c3[nH]2)cc1 587934767 GADVIQOLFSEWFJ-JDNHERCYSA-N 379.229 4.310 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1c(F)cccc12 587569040 JUUWCGZFTLHUHQ-GCJKJVERSA-N 378.355 4.171 0 1 GIAF COCCOc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593469 DPONDOFEVPSFEQ-OFNKIYASSA-N 392.407 4.120 0 1 GIAF CCOC(=O)CNc1ccc(-c2nc3c(Br)cc(C)cc3[nH]2)cc1 587227594 PTJJOIZLDYNUSL-UHFFFAOYSA-N 388.265 4.276 0 1 GIAF Oc1ccc(OCc2ccccc2)cc1-c1nc2nc(Br)c[nH]c-2n1 587782065 GHDCUQQSAHRYPM-UHFFFAOYSA-N 397.232 4.019 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccccc1CO[C@H]1CCCCO1)[C@@H](C2)C3=O 587455636 OPKGKOKIEXOLCU-GREBRCKQSA-N 380.440 4.227 0 1 GIAF COc1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1OC 587218188 GNPYITPYVIEBRJ-OAQYLSRUSA-N 387.439 4.100 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(OCc4ccccc4)ccc1O)[C@@H](C2)C3=O 587444832 VOULHIUXXOTOKU-CYFREDJKSA-N 388.419 4.469 0 1 GIAF C[C@]1(c2nc3c(s2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617114 IQBKWCJZZIUPBN-UWJYYQICSA-N 379.437 4.214 0 1 GIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587601014 PWIPAQNTZVSHAD-KNQAVFIVSA-N 378.380 4.112 0 1 GIAF CN(C)c1ccc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508234 AEQMQNWHHAQGQH-XMMPIXPASA-N 392.499 4.384 0 1 GIAF Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnn1C(C)C 587763094 HXMKBRNMXKNMPT-VOJFVSQTSA-N 380.305 4.472 0 1 GIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 587041006 SHDVZOPDYRVFLZ-QMMMGPOBSA-N 375.281 4.247 0 1 GIAF CC(=O)N[C@H](Cc1nc2ccc(Br)c(C)c2[nH]1)c1ccc(C)cc1 587207829 XDQZLIOLLDGPQU-QGZVFWFLSA-N 386.293 4.362 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(c3ccc(F)cc3)C2)N1 587733011 NJCFKHVQWPVUKJ-CWTRNNRKSA-N 393.275 4.367 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](/C(=C/N(C)C)c1ccc(OC)cc1)CC2=O 587470381 TUYCIAUNXPWPAC-PGPKDTDWSA-N 381.472 4.290 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C[C@@H](C)C(=O)O)(c1cccc(F)c1)CC2=O 587465723 GHFUACPISHUVND-DMZKTXOQSA-N 386.419 4.455 0 1 GIAF C[C@@H](O)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371677 COVZZLTWVBZRDS-RHZWSATBSA-N 384.428 4.228 0 1 GIAF FC(F)(F)Oc1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587039113 CGDXJFFFDITBSW-ZFWWWQNUSA-N 379.407 4.408 0 1 GIAF c1ccc(CN2CC[C@@]3(C2)c2ccsc2CCN3Cc2cccnc2)cc1 962997050 PYXFCQGKBKZJCK-HSZRJFAPSA-N 375.541 4.303 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@]21CCC[C@@H](NC(=O)OC(C)(C)C)C1 963268982 CPLSKAVPSXNBBE-XCLFUZPHSA-N 380.916 4.157 0 1 GIAF COc1cc2c(cc1OC)[C@]1(CCCc3c1[nH]c1ccc(N)cc31)N(C)[C@@H](C)C2 962635948 VGHMWLBXQKOUJL-BSEYFRJRSA-N 391.515 4.224 0 1 GIAF CCOc1ccnc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c1 962642113 NOFPRJWOPXJXFL-BWKNWUBXSA-N 385.511 4.317 0 1 GIAF O=C(O)[C@@]1(C2CCCCC2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949943 DAKXPNZARBQPFA-FQEVSTJZSA-N 397.437 4.217 0 1 GIAF Cn1cc(C2=C(c3c4n(c5ccccc35)CCCC4)C(=O)NC2=O)c2ccccc21 13861101 VPTSHTDSHSZINV-UHFFFAOYSA-N 395.462 4.037 0 1 GIAF CCOC(=O)c1c[nH]c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2c1=O 169323684 LTLHOSNYJIXONG-UHFFFAOYSA-N 391.345 4.194 0 1 GIAF CC[C@@H]1CC[C@H](C)N(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C1 3955314 MGGUYQNXKXLTRC-LSDHHAIUSA-N 380.467 4.475 0 1 GIAF CCN(CC)c1nc(C)cc(NC(=S)Nc2cccc(Br)c2)n1 103168776 RSPCTNSOBBGJSK-UHFFFAOYSA-N 394.342 4.203 0 1 GIAF CC[C@@H](Cc1cc(C)c(O)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C 103251384 QAIBFISDVFSRKN-IBGZPJMESA-N 375.534 4.234 0 1 GIAF C[C@]12C=CC(=O)C[C@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@]132 27632679 WVVRDXVBWQZBIM-MPAAGGRHSA-N 380.484 4.243 0 1 GIAF Nc1onc(-c2ccoc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28569400 GKRCOVFDQVNRIW-UHFFFAOYSA-N 392.255 4.496 0 1 GIAF C[C@H]([C@H](c1ccc2cc(OCC(C)(C)C(=O)O)ccc2c1)n1ccnc1)N(C)C 28123965 YLMRCYCGLCIPMC-IIBYNOLFSA-N 395.503 4.065 0 1 GIAF COc1cccc(-c2cc(N)c(C(=O)c3cc(OC)c(OC)c(OC)c3)s2)c1 35065325 JTLQMUSHBPLIEY-UHFFFAOYSA-N 399.468 4.263 0 1 GIAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2ccc(F)cc2)C1 82140748 MOWYTHHCHPIFDB-HZPDHXFCSA-N 382.483 4.001 0 1 GIAF Cc1csc2c(OC[C@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 653672871 NXIGYZMSZLTTFL-QGZVFWFLSA-N 376.485 4.011 0 1 GIAF CSc1ncc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587848744 XRNJXNUVJMNKOC-HUTHGQBESA-N 396.329 4.206 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3SCCS[C@H]32)N1 587857761 UNODTYGHGMMXDS-OSBCIYBTSA-N 388.371 4.329 0 1 GIAF O=C(CNc1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657830 AGQNBVJHTBRDMT-UHFFFAOYSA-N 391.377 4.094 0 1 GIAF O=C1C[C@H](c2ccc(OC(F)(F)C(=O)O)cc2)Oc2c1ccc1c2CCCC1 587508211 TZTROAHMXJUJMT-GOSISDBHSA-N 388.366 4.328 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Br)cn1 587866616 HFSZMOUUSKBTDY-UHFFFAOYSA-N 399.170 4.119 0 1 GIAF CCCCCS(=O)(=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587410654 UUNHUJXZAPCNGG-FQEVSTJZSA-N 387.501 4.248 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(F)ccc(F)c32)N1 587727387 BZCMZLBOASTUGT-LZVRBXCZSA-N 398.222 4.427 0 1 GIAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccc(OC(F)(F)F)cc1 587638370 XHUCYUJQDAWHEC-UHFFFAOYSA-N 378.306 4.325 0 1 GIAF COC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614345 RZBMRAJOGBCKQN-DYESRHJHSA-N 396.420 4.117 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)C1CCCC1 587226784 SNDHGERPZFZJGK-OAHLLOKOSA-N 377.416 4.156 0 1 GIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(S(=O)(=O)O)ccc2[nH]1 587066926 UOKVWHYOLSVKBI-UHFFFAOYSA-N 387.848 4.229 0 1 GIAF N[C@H](Cc1cscn1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587029330 OJWQAYVVQKSZEG-SECBINFHSA-N 380.317 4.300 0 1 GIAF N[C@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(Br)cc1 586998169 YNCUHIIBLQCEOJ-SNVBAGLBSA-N 386.080 4.270 0 1 GIAF CCCCOc1ccccc1[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973230 JQHXMBPAASQLKE-KXBFYZLASA-N 395.833 4.485 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(c3ccsc3CCN2Cc2cccnc2)[C@H](C)C1 962994441 DDBTXONVZZJVFC-RADWXHQJSA-N 384.545 4.396 0 1 GIAF O=C(O)C1(c2ccccc2)CC2(C1)c1ccsc1CCN2Cc1cccnc1 963002599 CMDMFICEYVUVLF-UHFFFAOYSA-N 390.508 4.213 0 1 GIAF COc1ccc(Cl)cc1NC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579703 NCZRXAFDSDJXMJ-QGZVFWFLSA-N 381.303 4.315 0 1 GIAF Cc1ncnc(N2CC(F)C2)c1-c1ccc(Oc2nccc3[nH]ccc23)cc1F 169705973 CFRREJQRARCNGC-UHFFFAOYSA-N 393.397 4.418 0 1 GIAF Cc1ccc(-c2ccc3c4[nH]ncc4c(=O)n(CC(F)(F)F)c3c2)c(Cl)n1 204887369 UNSXVWDBLGGKAU-UHFFFAOYSA-N 392.768 4.464 0 1 GIAF COc1cc(Br)cc2cc(-c3ccnn3-c3ccccc3)c(=O)oc12 1857562925 DXXMNFVMUFWCLV-UHFFFAOYSA-N 397.228 4.417 0 1 GIAF COc1ccc(-c2c[nH]c3ccc(-c4cncc(NCCN(C)C)n4)cc23)cc1 1857751935 XHQCKTYOEPETON-UHFFFAOYSA-N 387.487 4.274 0 1 GIAF Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1[C@@H]1CCCNC1 1857766470 OTCHZGLOUPBKMQ-HSZRJFAPSA-N 381.564 4.344 0 1 GIAF CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC[C@H](O)CC)cc1 775101 CONAAZYBIALGFD-OAHLLOKOSA-N 398.434 4.047 0 1 GIAF CO[C@H]1[C@@H](Cc2ccc(C[C@@H]3C=C(C)[C@@H](O)C[C@@H]3C(C)(C)O)cc2)C=C[C@H]1C 2356370184 MQWKANHJNPOKSF-PTYXBGBWSA-N 384.560 4.323 0 1 GIAF CCOC(=O)c1c(C(F)(F)F)csc1NC(=O)Cc1ccc(OC)cc1 66073810 RBMVEUBRPUKTBV-UHFFFAOYSA-N 387.379 4.133 0 1 GIAF CC[C@@H]1c2ncccc2C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 29050713 DJLLOPXCLRKKSC-HXUWFJFHSA-N 396.454 4.036 0 1 GIAF O=C1Nc2c(Br)cccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 28884174 OFATZIAUDOCNFS-UHFFFAOYSA-N 396.240 4.147 0 1 GIAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(Cl)cccc2Cl)N1 66102123 CMPSVFOWDPJLPK-CRAIPNDOSA-N 375.255 4.251 0 1 GIAF C=C(c1ccccc1)c1cccc(N(Cc2cccnc2)S(=O)(=O)CC)c1 26848383 UCZUTGUMYWCUCY-UHFFFAOYSA-N 378.497 4.499 0 1 GIAF CC(=O)c1ccc(CCCCCOc2c(C)cc(-c3nnn(C)n3)cc2C)o1 27413619 GMZRJVYJXGKTQU-UHFFFAOYSA-N 382.464 4.081 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@]2(C)C[C@H](OC(C)=O)C[C@H]32)C1 2356524505 GVPGOBSHOOZRBN-QXMZLCCYSA-N 390.520 4.072 0 1 GIAF NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1cccc(Cl)c1 40981100 CGYQIDZVXVYVAI-UHFFFAOYSA-N 383.860 4.418 0 1 GIAF CC[C@@H](C)[C@H]1O[C@@H](c2c(O)c(-c3ccccc3)cn(OC)c2=O)[C@H](C)C[C@@H]1C 96900883 WGEGPIRBSMWCPA-YFNGHYIGSA-N 385.504 4.428 0 1 GIAF Cn1nccc1[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581755 MHHQWOUTBWUBEC-XLHILCRZSA-N 390.439 4.184 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccc(F)cc2[nH]1 587569882 NGSGETDMSDREOM-PXNSSMCTSA-N 376.343 4.111 0 1 GIAF CC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(F)cc2C1 587510807 WWPRQMZAJPNWDB-DEOSSOPVSA-N 393.458 4.317 0 1 GIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587600681 OZIAGBRERKVJHJ-KNQAVFIVSA-N 378.380 4.112 0 1 GIAF COC(=O)c1ccc(-c2ncccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587393331 GFBPAUKWFBEZJP-HXUWFJFHSA-N 388.423 4.132 0 1 GIAF CO/C(C)=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587707320 TXXMAEVXFZONDO-CMPRUQNBSA-N 382.195 4.430 0 1 GIAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)c(F)cc2[nH]1)C[C@@H]1CCCO1 587197861 VZWADOHFDVKTES-NSHDSACASA-N 383.851 4.272 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Br)c[nH]2)N1 587679933 GBIXJMHZTCHGMP-UOWDBTKRSA-N 388.078 4.302 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccco3)n(C)n2)N1 587763536 JXPGKPCIMAVIGN-MGNBDDOMSA-N 390.256 4.205 0 1 GIAF CCN1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587515829 WDBLDBSRUMWYMC-XMMPIXPASA-N 390.527 4.414 0 1 GIAF CCOC(=O)C[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523387 IRDQJSIIYZRGOP-DEOSSOPVSA-N 394.467 4.388 0 1 GIAF CC[C@@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587395167 KUGWBOPRZAHXEX-AVRDEDQJSA-N 388.508 4.481 0 1 GIAF CCOC(=O)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116113 OBFZESGRTLXHQS-UHFFFAOYSA-N 386.333 4.369 0 1 GIAF CCOC(=O)C[C@]1(CC2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793391 DTEHQEHKMGAPRW-VOJFVSQTSA-N 384.289 4.071 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccnc2c1O 587589530 XQRIXROGFOGUQY-WZONZLPQSA-N 385.375 4.349 0 1 GIAF CC(C)N(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587570008 HUVSJYQLFNIFPI-NZQKXSOJSA-N 390.439 4.335 0 1 GIAF Cn1ncc2cc(F)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587567260 COMUOQAOBYKHIM-UGKGYDQZSA-N 390.370 4.121 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nc2c(s1)CCCC2 587615938 AIGPYJWUARIXPK-FXAWDEMLSA-N 379.437 4.430 0 1 GIAF Cc1ccc([C@]2([C@H](C)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587826267 KBRXKGRSSNOMFV-JMERFSKESA-N 378.285 4.055 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)O)cc2)N1 587825194 GJRGWHUJFUXBBI-MGNBDDOMSA-N 378.241 4.084 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cc3ccc[nH]3)[nH]2)N1 587790868 JJJOKZBLTHGMRG-NSPYISDASA-N 388.284 4.459 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(c1cc(F)c(OC)c(F)c1)N(C)[C@@H](C)C2 962620389 HHUNZCQRLQFGTJ-QKVFXAPYSA-N 377.431 4.131 0 1 GIAF Cc1cc2c(cc1O)[C@](C)(Cc1cccc(Cl)c1Cl)N[C@H](C(=O)O)C2 963491408 NITPASJJGUODIK-KXBFYZLASA-N 380.271 4.064 0 1 GIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1c(-c2ccccc2)nn2cc[nH]c(=O)c12 963244590 WQWUQSCOBZUXIL-SBUREZEXSA-N 398.510 4.436 0 1 GIAF CC(C)(C)[C@]1(CCCCCC(=O)O)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963219247 DJZFTFDLKQZJBO-AUSIDOKSSA-N 398.503 4.110 0 1 GIAF Oc1ccc(-c2nc(C[C@]3(O)CC[C@@H](Cc4ccc(Cl)cc4)CC3)no2)cn1 1772642882 NOVQAHSUHZIICZ-GGYDESQDSA-N 399.878 4.197 0 1 GIAF COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(CO)n32)c1OC 13441509 PHSKAHODMOJUMX-UHFFFAOYSA-N 398.850 4.097 0 1 GIAF CC(C)N(C[C@H](O)COc1ccc(C(=O)CCc2ccccc2)cc1)C(C)C 13529219 ROPGZQQRTXTXRG-QFIPXVFZSA-N 383.532 4.361 0 1 GIAF CCC(CC)N1CCN(C(=O)CCC(=O)c2ccc(C(F)(F)F)cc2)CC1 13561112 OPKPBHGRCGXRNB-UHFFFAOYSA-N 384.442 4.001 0 1 GIAF c1cncc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)c1 13819816 CXMKJARIDJFGGI-UHFFFAOYSA-N 399.498 4.323 0 1 GIAF O[C@H](c1ccccc1)[C@@H](c1ccccc1)N1CCN(CCc2ccccc2)CC1 169334392 RFKXNDDAXMWNQB-CLJLJLNGSA-N 386.539 4.322 0 1 GIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc(-n2cccn2)cc1 167085087 YLPBLVFJKJTIJN-LJQANCHMSA-N 391.471 4.143 0 1 GIAF C[C@@H]1O[C@@H](O[C@H](C)CCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 207538058 GOMRKSMHAWREDI-TWHPPBISSA-N 388.545 4.014 0 1 GIAF in-vitro CC(C)(O)[C@H]1CC[C@H](NC(=O)c2cnc3cc(OC(F)(F)F)ccc3c2)CC1 1857583463 UCEBNYUCVVYYQH-SHTZXODSSA-N 396.409 4.193 0 1 GIAF COc1cc2c(cc1-c1cnn3ccc(-c4ccnc5[nH]ccc45)cc13)CNC2 1857758369 BKSVZHDDIIUZBB-UHFFFAOYSA-N 381.439 4.156 0 1 GIAF COc1ccc(C(=O)N2CCC3(CCCN(Cc4ccccc4)C3)CC2)cc1 3956355 AUTHVWTYZHDMLG-UHFFFAOYSA-N 378.516 4.214 0 1 GIAF O=C(Nc1cccc(F)c1)N1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1 3956384 SRDCPICKCAZTTE-QFIPXVFZSA-N 397.450 4.345 0 1 GIAF Cc1ccc(-n2c(SCc3ccccn3)nc3nnc(C)c-3c2N)cc1Cl 103623422 UNBSLYKXPAURRS-UHFFFAOYSA-N 396.907 4.307 0 1 GIAF CCOC(=O)N1c2ccccc2N(C(=O)OCC)C1CC(=O)c1ccccc1 103286493 ICFFSCZOPHGZKK-UHFFFAOYSA-N 382.416 4.225 0 1 GIAF COc1cc2sc(-c3c(-c4cccnc4Cl)n[nH]c3N)nc2cc1F 114400276 LXMBHKHXRGNWDB-UHFFFAOYSA-N 375.816 4.132 0 1 GIAF CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(C3CCCCC3)cs2)cc1 103233640 FMUWLZYBMYXLSB-UHFFFAOYSA-N 392.546 4.166 0 1 GIAF O=C(Nc1cc(F)ccc1F)[C@@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32 100658556 UYDYGHBMEHKGCU-LJQANCHMSA-N 394.352 4.409 0 1 GIAF Cc1cccc(NC(=O)N[C@@H]2N=C(C3CCCC3)c3ccccc3N(C)C2=O)c1 29557522 OHNITXIZGXJEII-NRFANRHFSA-N 390.487 4.099 0 1 GIAF COc1cccc(-c2ccc3c(c2)C[C@@H]2OC(=O)[C@@](C)(CCCCC(=N)N)[C@@H]32)c1 27432203 IHKFYTGOIRWQFJ-SSPYTLHUSA-N 392.499 4.430 0 1 GIAF CCc1nc2c(OCc3ccc(OC)cc3)cccn2c1N(C)C(=O)C(C)C 61906984 NGSIEWKBFWHPAW-UHFFFAOYSA-N 381.476 4.103 0 3 GIAF CC(C)(C)c1ccc(C(=O)N2CC[C@@]2(C)C(=O)Nc2ccc3[nH]cnc3c2)cc1 61908284 ZWWJSFDMSRJCJR-QHCPKHFHSA-N 390.487 4.104 0 3 GIAF Cc1n[nH]c2ccc(-c3nnc(NC[C@@H](N)Cc4ccc(Cl)cc4)s3)cc12 35983627 VFMSDTSKEUYQCV-HNNXBMFYSA-N 398.923 4.025 0 1 GIAF CC[C@@H](C)NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1 82133395 CPEHUPONHMEKIE-MRXNPFEDSA-N 392.478 4.466 0 1 GIAF C[C@@H](CN[C@@H]1COc2ccccc2SC1)CSc1cccc(F)c1N 42922350 JWQOYZVGECDHJA-UONOGXRCSA-N 378.538 4.279 0 1 GIAF CC1CCN(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccccc2)CC1 82133347 WULBJDXSYWFXTF-UHFFFAOYSA-N 378.520 4.252 0 1 GIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2cc(C(F)(F)F)nc2C1 95565580 UVLLICGVXSEJTH-UHFFFAOYSA-N 397.706 4.230 0 1 GIAF O=C(Nc1cccc2cccnc12)c1ccc(N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 96909107 YSJAMXFHVDNFTJ-MXKPZRPRSA-N 395.462 4.272 0 1 GIAF CC(C)CN(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccccn1 95553129 UHOZWOWPCJHMBX-UHFFFAOYSA-N 386.517 4.113 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Br)[nH]2)N1 587680366 IRGFQQSYHMKUNS-JKYUHCHBSA-N 388.078 4.302 0 1 GIAF COc1cccc(C)c1-c1nc2c(I)cnc(Cl)c2[nH]1 587786334 KIVPWBDXPZOHSM-UHFFFAOYSA-N 399.619 4.200 0 1 GIAF C[C@]1(c2nc3cccc(OC(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175509 ZINBCUAPFLJFDB-QGZVFWFLSA-N 380.297 4.229 0 1 GIAF COC(=O)c1cc2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2cc1OC 587074851 DNMJFZHIHSDQHG-SFHVURJKSA-N 399.878 4.349 0 1 GIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1cccc(Cl)c1C 587650131 YDFHRMWIDPJHOV-UHFFFAOYSA-N 376.865 4.094 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCN([C@@H](C)c4ccccc4)[C@@H](C)C1)[C@@H](C2)C3=O 587436297 PQYJUWACYFCCEB-LAMNTMBASA-N 377.484 4.427 0 1 GIAF Cc1c(Br)cc2nc([C@H](C)NC(=O)CC(F)(F)F)[nH]c2c1C 587094883 VNNHBLIOAQPWPK-QMMMGPOBSA-N 378.192 4.072 0 1 GIAF CC(=O)Oc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587807505 DDCSWEXFSANBOS-WLRWDXFRSA-N 392.268 4.311 0 1 GIAF Clc1cncc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586998641 MZCQUJHBFCTRLS-UPHRSURJSA-N 378.613 4.273 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cn2cccn2)(C(C)(C)C)N1 587756345 DCDUWZPGSJQKCE-XIKOKIGWSA-N 380.305 4.261 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC2CCCCC2)(C(=O)O)N1 587828683 PJMQEIZXAOZWGR-BBATYDOGSA-N 384.289 4.373 0 1 GIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(C)=O)cc2[nH]1 587112125 HGKMEGHJSPGPNJ-IBGZPJMESA-N 389.377 4.184 0 1 GIAF COc1cc(N)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1OC 586988060 XGOJAYALDJIDNX-UHFFFAOYSA-N 398.418 4.418 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1N(C)C)O2 587377564 NMPPDXTYGHGYNN-QGZVFWFLSA-N 375.266 4.112 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(OC[C@@H]3CO3)cc1)CC2=O 587492698 RSZSOWQGIOHJAO-HOYKHHGWSA-N 396.483 4.479 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CC[C@H]4CN(Cc5ccccc5)C[C@@H]4C1)[C@@H](C2)C3=O 587441036 CVVXLOWDDONSRC-QTVKBMQASA-N 389.495 4.114 0 1 GIAF CC(C)[C@@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340964 IMIUJXSXYBQHSZ-SIKLNZKXSA-N 380.419 4.175 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@@]3(C=C(Nc4ccccc4F)CCC3)c3cccc1c32 963031709 OKXSAGBYHCZKIO-CMJOXMDJSA-N 377.463 4.254 0 1 GIAF COc1ccc(-n2ncc([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)c2C)cc1 963093670 ANWMQQRIOBVJBS-AUSIDOKSSA-N 377.463 4.438 0 1 GIAF C[C@]1(c2nc(Br)ccc2F)c2c(F)cccc2C[C@@H]2CCCN21 963111907 WINOHSNDHHCUMD-KPZWWZAWSA-N 379.248 4.406 0 1 GIAF CCc1ccc(-c2nc(-c3ccnc(C)c3)c3n2C[C@@H](C)OCC3)cc1OC 1772633027 GBXBLCKGNHBAHJ-MRXNPFEDSA-N 377.488 4.453 0 1 GIAF Cc1sc2c(nc(N3CCN(Cc4ccccc4)CC3)c3cccn32)c1C 13755978 BKNVUCYNQODGLA-UHFFFAOYSA-N 376.529 4.488 0 1 GIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CC[C@H](c2nc(C(F)(F)F)cs2)C1 169704984 MZEPFERSLWBFLU-VHSXEESVSA-N 395.410 4.496 0 1 GIAF OCCn1cc(-c2cnc3ccc(N(CC4CC4)c4ccccc4)cc3n2)cn1 204156722 OPKYWWXALAAUOX-UHFFFAOYSA-N 385.471 4.034 0 1 GIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(OCc3ccccc3)c2cn1)c1ccccc1 209378993 RXEODTYPTTZLPP-OAHLLOKOSA-N 387.443 4.420 0 1 GIAF CC(C)(C)OC(=O)n1c(C2=CC(=O)N(C(C)(C)C)[S@]2=O)cc2ccccc21 1857558667 VXYIQPFTORVWOH-MHZLTWQESA-N 388.489 4.070 0 1 GIAF COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)cc1OC 13471264 SNUBHAJWZFBQHA-HVVVRDPLSA-N 375.515 4.106 0 1 GIAF Cc1ccc2c(c1)c1c3c(c4c(c1n2CCCO)Cc1ccccc1-4)C(=O)NC3 13530068 KOOCDLWQCUGJSQ-UHFFFAOYSA-N 382.463 4.300 0 1 GIAF COc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)ccc23)cc1F 28959818 UCTLQMSCRIEVRP-UHFFFAOYSA-N 388.402 4.287 0 1 GIAF C[C@]12CC[C@]3(OCc4cccc(Br)c4)C[C@H]1CCC[C@@]2(CO)O3 29487177 DFRVMDQTYMURIH-XGXHKWSGSA-N 381.310 4.414 0 1 GIAF O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@H]1CCN(Cc2ccccc2)C1 34802159 XTFLNWJPCXKOPL-DEOSSOPVSA-N 397.522 4.230 0 1 GIAF Cc1c(Cc2c(F)cccc2F)nc(Sc2ccc(F)cc2F)[nH]c1=O 34820510 KUFNFQHBXOOMBQ-UHFFFAOYSA-N 380.366 4.377 0 1 GIAF CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(-c4cnn(C)c4)cc32)CC1 64540598 MKRIRFBTLSNVCR-OAQYLSRUSA-N 390.556 4.083 0 1 GIAF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCC1CCCCC1 82088027 UTRXEHMXDHVECW-LJQANCHMSA-N 399.560 4.261 0 1 GIAF O=c1[nH]c2ncc(-c3ccc(-c4cnco4)cc3)nc2n1CC1CCCCC1 82157494 FBUAMMUFCNRJOI-UHFFFAOYSA-N 375.432 4.022 0 1 GIAF Cc1onc(-c2ccc(F)c(F)c2)c1COc1ccc(C(=O)NC(C)C)cn1 141429034 PNTZHPLHKAMZAC-UHFFFAOYSA-N 387.386 4.040 0 1 GIAF CC(C)(C)OC(=O)N1CC[C@H](c2nc(-c3cnc(-c4ccccc4)nc3)c[nH]2)C1 145206307 RWVRGUVVRCJSHW-INIZCTEOSA-N 391.475 4.258 0 1 GIAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccccc2OC)cc1 169360900 CXUONQXREPWOEC-GLTMSDAXSA-N 389.495 4.401 0 1 GIAF CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2[C@@H](C)c2ccc(F)cc2)C1 204890901 DBIXCDNXQFZNLL-AWEZNQCLSA-N 381.426 4.342 0 1 GIAF CCCCC/C=C\C[C@@H]1O[C@H]1C/C=C\C/C=C\CCCC(=O)OC(CO)CO 535385368 OKCHDUJPLFYNPT-VHFGNRHZSA-N 394.552 4.240 0 1 GIAF in-vitro O=S(=O)(CCc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc2c(c1)CCC2 586920299 HKDZBROQEQVGJE-UHFFFAOYSA-N 394.418 4.087 0 1 GIAF COc1cc(/C=C/c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1Br 586977550 QTOMTCSXBJVBKD-HWKANZROSA-N 399.170 4.265 0 1 GIAF Cc1nn(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c(C)c1Br 586978834 JTYKJQAEAZDMIK-UHFFFAOYSA-N 389.175 4.086 0 1 GIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cnc(Br)cc2[nH]1 587147511 PGQSZVDMENWEKH-UHFFFAOYSA-N 390.191 4.066 0 1 GIAF Cc1c(Br)cnc2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc12 587234301 ZHEWOCUKFDUKIG-CMPLNLGQSA-N 395.301 4.190 0 1 GIAF C[C@@H]1CC2(CC[C@]13Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1)OCCO2 587356951 LOHPXCXNYPCXML-IJIZOXLDSA-N 398.430 4.192 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(Br)c1OC)[C@@H](C2)C3=O 587413320 MSQMCWYLTPLWDA-ORAYPTAESA-N 389.245 4.129 0 1 GIAF Cc1nn2c(=O)c3ccccc3[nH]c2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523240 HAJFPIXZQGWGPB-FQEVSTJZSA-N 399.450 4.070 0 1 GIAF Cc1cnc(Cl)nc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551898 KXOURISQKQZJJI-YWZLYKJASA-N 382.803 4.021 0 1 GIAF C[C@]1(c2cnn(-c3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582362 OTYVUNBMSYWYIX-XUZZJYLKSA-N 398.418 4.455 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ccnc2N(C)C)N1 587692101 JSYSUJWVXRLELC-ABKXIKBNSA-N 398.707 4.326 0 1 GIAF COC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587721967 XGVKOQKDDNDDMZ-VVVCHXIZSA-N 396.231 4.138 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCO)(c2ccc(F)cc2)N1 587728809 FVMCQWGUJANZGE-BLVKFPJESA-N 396.275 4.278 0 1 GIAF CCCCOc1cc2nc(C[C@@H](C)CC(=O)OC)[nH]c2cc1Br 587783266 LBBRWBMQHDIHJY-LLVKDONJSA-N 383.286 4.246 0 1 GIAF CCN(CC)C(=O)/C(=C/c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1 653850661 AXGYBDOBAAYNNX-QGOAFFKASA-N 399.487 4.130 0 1 GIAF COCCCN1CCc2ccc(OC)cc2[C@@H]1c1c(Cl)cncc1Cl 961322686 KSMIIPTWBMMKLH-LJQANCHMSA-N 381.303 4.381 0 1 GIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2scnc2Cl)N1 963169117 HALVUOYPJVOENV-ZJUUUORDSA-N 397.205 4.157 0 1 GIAF COc1ccc(C)cc1-c1nc2sccn2c1[C@H]1NCCc2ccc(O)cc21 963328159 CUYYOEWJQAJYED-IBGZPJMESA-N 391.496 4.321 0 1 GIAF O=C(COc1ccc(-c2ccc(Cl)cc2)cc1)Cn1nnc2ccccc21 1772608167 PYYMNHLUGLVWMI-UHFFFAOYSA-N 377.831 4.400 0 1 GIAF Nc1ccccc1NC(=O)/C=C/c1ccc(CN2CCc3ccccc3C2)cc1 1772656718 ROSWDEPODHUBKM-BUHFOSPRSA-N 383.495 4.479 0 1 GIAF CC(C)=CCCC(C)=CCCC(C)=CCO[C@H](C(=O)O)[C@H](CC(=O)O)C(=O)O 2356412630 WNCOHPCRBBRDAX-HKUYNNGSSA-N 396.480 4.051 0 1 GIAF CCN(CC)CC[C@@H](c1ccc(N(C)C)cc1)c1c(O)cc(OC)cc1OC 13661586 YISIWGOCRXXZLD-FQEVSTJZSA-N 386.536 4.339 0 3 GIAF COc1ccc(C[C@@H](N)c2csc(NC(=O)Nc3ccc(OC)cc3)n2)cc1 61897728 RHRRZHXIVSZXMX-QGZVFWFLSA-N 398.488 4.047 0 3 GIAF COCCc1ccc(O[C@]2(C)CCN(Cc3cccn3-c3nccs3)C2)cc1 61903446 DKCBWBOBXVOPKC-JOCHJYFZSA-N 397.544 4.166 0 3 GIAF CC(C)(C)c1ccc(C(=O)N2CC[C@]2(C)C(=O)Nc2ccc3[nH]cnc3c2)cc1 61908283 ZWWJSFDMSRJCJR-HSZRJFAPSA-N 390.487 4.104 0 3 GIAF Cc1ccc2c(c1)-n1c(nc3ccc(Cl)cc3c1=O)[C@H](CC(C)C)NC2=O 61949338 IFOUUVRZLKAFDJ-KRWDZBQOSA-N 381.863 4.178 0 3 GIAF CC[C@@H](C)N(C[C@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC 597241 YNGZJSALRCLELM-SMOSDQRPSA-N 380.960 4.091 0 1 GIAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@H]1CCCC[C@H]1O 775483 RLXLABMXFXLVQQ-JKSUJKDBSA-N 386.492 4.071 0 1 GIAF CC(C)[C@@H]1C/C=C/C[C@H](C)Oc2ccccc2C(=O)N(C)[C@@H](C(C)C)C(=O)N1 100087493 LWHPZOYAMURLFL-QOCPPALMSA-N 386.536 4.041 0 1 GIAF CC(C)N1CCC(Oc2ccc3c(c2)cc2n3C[C@@H](C)N(CC3CC3)C2=O)CC1 64528139 MYTSILBAQHYOET-QGZVFWFLSA-N 395.547 4.147 0 1 GIAF COc1cccc([C@H](NC(C)=O)c2nc(-c3cccc(NC(C)=O)c3)cs2)c1 61906256 ZUOLOWODCCVHPL-FQEVSTJZSA-N 395.484 4.003 0 3 GIAF COc1ccc(NC(=O)[C@@]2(C)Cc3c(-c4ccccc4)ccnc3O2)cc1OC 61903913 HZMMPRUELAHNQS-HSZRJFAPSA-N 390.439 4.098 0 3 GIAF Cc1ccc(Oc2nc(N)n3ncc(-c4ccc(Cl)c(Cl)c4)c3n2)cn1 27902074 BTRCIIOXEOEOKM-UHFFFAOYSA-N 387.230 4.176 0 1 GIAF COc1ccc(C2=NN(CCc3ccccc3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26571134 FDJPZBHXIZZOLP-UXHICEINSA-N 392.499 4.299 0 1 GIAF CCOc1ccc(-c2nc(CN(C)CCc3ccc(OC)c(OC)c3)co2)cc1 72183610 FUPIBVHHCWPHDZ-UHFFFAOYSA-N 396.487 4.432 0 1 GIAF Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(OC(F)(F)F)cc3)sc2n1 70454758 MJVWPSGVRPHCIG-UHFFFAOYSA-N 395.406 4.324 0 1 GIAF O[C@@H](COc1cccc(-c2ccc3nc[nH]c3c2)c1)CN1CCc2ccccc2C1 219778438 YIIZZGTVZSAXRY-JOCHJYFZSA-N 399.494 4.028 0 1 GIAF O=C1OC2(CCN(c3nc4c(C(F)(F)F)cccc4[nH]3)CC2)c2ccccc21 40975770 OYMGEHJIAFYRKS-UHFFFAOYSA-N 387.361 4.248 0 1 GIAF O[C@@H](CCN1CCC(O)(Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 84670323 JZHYJRPFUZJBQH-FQEVSTJZSA-N 394.342 4.487 0 1 GIAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(NC5CCCCC5)n4)c3c2)s1 145436282 NZRCHCMMQGWKLZ-UHFFFAOYSA-N 391.504 4.470 0 1 GIAF O=C(OCCCF)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1cccc(/C=C\Br)c1)N2 253798470 VKZWZSZGPDLBNV-HDWRGTOZSA-N 396.300 4.179 0 1 GIAF CN1C[C@](O)(c2ccc(-c3nc4ccccc4s3)cc2)O[C@@H]2CCCC[C@H]21 261138427 MQFQMFCHONDGDU-WOIUINJBSA-N 380.513 4.382 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c(OC)s1)[C@@H](C2)C3=O 587454472 ZPGXBQRQJAZBMW-VFZGTOFNSA-N 381.247 4.017 0 1 GIAF COc1ccc(C)cc1NCCCc1nc2cncc(Br)c2[nH]1 587229151 QBSKPLLNPWUXIJ-UHFFFAOYSA-N 375.270 4.082 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587190312 HKDVKOFOBFOYQP-QGZVFWFLSA-N 399.422 4.357 0 1 GIAF CCOC(=O)[C@H](CC)[C@]1(c2cccc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587401284 VRJHCOIYOXOSPM-FDDCHVKYSA-N 381.472 4.336 0 1 GIAF COC(=O)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587807535 LSZNRWWGKGAIJB-WYRIXSBYSA-N 392.268 4.173 0 1 GIAF FC(F)(F)c1cnc2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 587077535 VVKNNMGEFRLZHH-UHFFFAOYSA-N 393.756 4.465 0 1 GIAF CN(C)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587572695 PXOVPDXOXYUYMR-OFNKIYASSA-N 375.424 4.335 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 586939725 SDDDNHSDVFOFAK-LLVKDONJSA-N 397.422 4.326 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3nn(C)cc23)N1 587757699 HNMKSLZLODFKOL-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF COc1cc(F)cc(OC)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587726499 JKGIPVWASATJAQ-LZVRBXCZSA-N 398.247 4.368 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1cccnc1 587394818 JXUOCPYSNFUPTO-NRFANRHFSA-N 390.439 4.266 0 1 GIAF O=C(O)c1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1F 587013275 RIYCKLVSSZWSQD-UHFFFAOYSA-N 382.214 4.164 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)nc1 587591933 GNXFTOKCZDHJTQ-NFBKMPQASA-N 388.423 4.090 0 1 GIAF CCOC(=O)CC[C@]1(c2cccc(Cl)c2Cl)NCCc2ccc(O)cc21 963341993 PVRXYEVBBVNFTH-HXUWFJFHSA-N 394.298 4.432 0 1 GIAF Cc1cc2c(cc1C)C(Cl)=C(COC[C@@H](O)CN1CCCCC1)CCC2 1772623765 WISLNLOPGGNRKA-FQEVSTJZSA-N 377.956 4.453 0 1 GIAF COc1ccc(-c2cs/c(=N\CC3CCNCC3)n2-c2ccccc2)cc1 19851177 NGRNUTGGTMECEG-GYHWCHFESA-N 379.529 4.115 0 1 GIAF NC1=N[C@@H](CCc2ccc(N[C@@H](c3cccc(F)c3)C(F)(F)F)cc2)CO1 169701200 NJDIBHDPNQDWHK-IRXDYDNUSA-N 381.373 4.187 0 1 GIAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 13483704 PXHCARRJGFGPAC-UVWRGOKSSA-N 390.564 4.398 0 1 GIAF Cc1ccc(-c2nc(CNS(=O)(=O)c3ccc(Cl)cc3)c(C)o2)cc1 21020176 AHNBGOMCQMLRCA-UHFFFAOYSA-N 376.865 4.090 0 1 GIAF CCc1nc(-c2ncn3c2CN=C(c2ccccc2)c2c(Cl)cccc2-3)no1 26389168 OSBWGEOWFPWDSP-UHFFFAOYSA-N 389.846 4.489 0 1 GIAF CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@H](C)[C@@H](c3ccccc3)N12 26963501 SWJWVTBKVUVWHZ-UZLBHIALSA-N 385.471 4.492 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1cccc([C@H](C)N3CCCCC3)c1)C2 28132564 ZEOPUBHBRCLSHH-HJPURHCSSA-N 395.499 4.437 0 1 GIAF CC(C)=CCC/C(C)=C\CC/C(C)=C\CC(P(=O)(O)O)P(=O)(O)O 29123586 QBAOBDKNTDWTHR-FBXUGWQNSA-N 380.358 4.477 0 1 GIAF CC[C@@H]1NC(=O)[C@](CCN(C(C)C)C(C)C)(c2ccccc2)[C@H]2CCCCN12 34079785 WDKQQRCLEKNRIX-CQOQZXRMSA-N 385.596 4.154 0 1 GIAF Fc1ccc2[nH]cc(CCN3CCC[C@H](c4ccnc(NC5CC5)n4)C3)c2c1 40405987 BSUPTTROFNUYJX-INIZCTEOSA-N 379.483 4.093 0 1 GIAF in-vitro COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1Cl 58569548 CMZIZPHUPWAIAP-QGZVFWFLSA-N 377.868 4.090 0 1 GIAF Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@H]2CCN(C3CCC3)C2)cc1 72123274 DNXMXCCCVCPJES-NRFANRHFSA-N 388.515 4.033 0 1 GIAF Cc1nc(C)c(-c2ccc3cc(CCN4CCC[C@@H]4C)ccc3n2)cc1C(N)=O 72177171 CPBHHACTFPYERR-HNNXBMFYSA-N 388.515 4.039 0 1 GIAF COCCn1c(-c2ccsc2)nc2c(NCCCc3ccccc3)ncnc21 82221736 RBBISJQAFYKGJO-UHFFFAOYSA-N 393.516 4.246 0 1 GIAF COc1cnc(-c2ccccn2)nc1NCc1ccc(F)cc1C(F)(F)F 84688242 WZTXCIJAMBUMOO-UHFFFAOYSA-N 378.329 4.317 0 1 GIAF CC(=O)NCCCc1nc(-c2nc(C)cs2)c(-c2ccc3ncsc3c2)[nH]1 95561720 SDJAGWMYZWQCMW-UHFFFAOYSA-N 397.529 4.187 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCCCC1 169714133 DAGOSUFXFGLMMG-VPOPLMJOSA-N 384.564 4.272 0 1 GIAF CC(C)(NC(=O)c1nn(-c2ccc(F)cc2F)c2c1C[C@H]1C[C@@H]21)c1ccccc1 215558722 HZJISAONKFNAPO-CZUORRHYSA-N 393.437 4.475 0 1 GIAF OCc1ccc(-c2nc3c(Br)ccc(Br)c3[nH]2)cc1 586895690 UDOKDNMMHLMEIX-UHFFFAOYSA-N 382.055 4.247 0 1 GIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Br)cc2[nH]1 586963922 SJAFBHYMWDLQID-GFCCVEGCSA-N 379.283 4.373 0 1 GIAF Cc1cc(Br)ccc1OCc1nc2cc3c(cc2[nH]1)NC(=O)CC3 586981501 QARLCGFBCNETMR-UHFFFAOYSA-N 386.249 4.098 0 1 GIAF Brc1cncc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587002952 IJHWJRKCGALMNG-UHFFFAOYSA-N 393.042 4.026 0 1 GIAF CN(C)C(=O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587017843 QYIWTFVFJAQRHE-UHFFFAOYSA-N 383.864 4.104 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 587026472 UUHXOIWHWRUVHA-UHFFFAOYSA-N 395.575 4.088 0 1 GIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(Cl)ccnc2[nH]1 587198620 NSKHTVXWBFEQST-UHFFFAOYSA-N 377.835 4.137 0 1 GIAF COC(=O)[C@@H]1CCCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346327 BIFRSSCEIAVAPM-GREBRCKQSA-N 398.430 4.382 0 1 GIAF C[C@@]1(CC2(C(=O)O)CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352609 MUXIQCQZRDESOB-RXVVDRJESA-N 384.403 4.294 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCCN(Cc4ccccc4)C1(C)C)[C@@H](C2)C3=O 587445765 YAHPOKJRPDVVQR-CYFREDJKSA-N 377.484 4.256 0 1 GIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCC(=O)O 587525986 XELFTJMUNVIMOV-FQEVSTJZSA-N 396.439 4.134 0 1 GIAF CC(=O)[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587732938 OSHOFALHUXKRHQ-MGNBDDOMSA-N 380.232 4.094 0 1 GIAF CC(=O)Nc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587746450 ZQQRQVMFGOZOOT-JEOXALJRSA-N 391.284 4.344 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-n2cccn2)N1 587758832 JNPIDJVHCPHMJI-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587800916 HYEDVJWJLMUALL-MLCYQJTMSA-N 380.257 4.316 0 1 GIAF COc1ccc(CCCc2nc3cc(Br)c(C)nc3[nH]2)c(OC)c1 587929610 YULJVHXZSUGVIR-UHFFFAOYSA-N 390.281 4.221 0 1 GIAF COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OC[C@@H]1CCCO1 653850212 YPSQQALJBJERNM-ZDUSSCGKSA-N 399.422 4.093 0 1 GIAF C[C@]1(c2cc3cc(O)ccc3s2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963222595 GVQHFGDGBCUXNW-GCJKJVERSA-N 390.464 4.018 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@H]2C(=O)Cc1cccc(Br)c1 963257591 LBIKWOXOOXBLBM-SFHVURJKSA-N 394.696 4.110 0 1 GIAF COc1cc(NC(=O)c2ccc(-c3cn[nH]c3)c3ccoc23)cc(OC)c1OC 61896175 FBWWPLJDFCRPFQ-UHFFFAOYSA-N 393.399 4.101 0 3 GIAF CC(C)Oc1ccc(F)cc1-c1cc(C(=O)N2CCc3ccccc3C2)[nH]n1 61907525 BWZHOIYLHJTDAN-UHFFFAOYSA-N 379.435 4.202 0 3 GIAF CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NC[C@H](O)CC 4310527 QAJHKACOFFCVDL-ZNOIYHFQSA-N 398.906 4.380 0 1 GIAF Nc1nc(-c2ccccc2Br)cc(-c2cc3ccccc3oc2=O)n1 103206066 KHSLGNYAJLVJNH-UHFFFAOYSA-N 394.228 4.262 0 1 GIAF c1ccc2c(c1)c1cc[n+]2CCCC[n+]2ccc(c3ccccc32)NCCCN1 28379596 JQPOIABCQPKOIF-UHFFFAOYSA-P 384.527 4.276 0 1 GIAF CC(C)[C@@H]1CC[C@@]2(C)[C@H]3[C@H]1O[C@]1(C=Cc4ccccc4)OC[C@@]3(CC[C@H]2O)O1 2356493904 KCBJXTPRNWHMEW-WAWLIOBHSA-N 384.516 4.381 0 1 GIAF CC[C@H](C)C(=O)c1c(O)c(C)c(O)c2c1O[C@@](C)(CCC=C(C)C)[C@@H](O)C2 2356552795 CNFWCPMUKRVISB-ODIUBACGSA-N 376.493 4.436 0 1 GIAF CC(=O)CC[C@@H]1[C@@H]2[C@H](O)[C@@H](C(C)C)[C@H](OC(=O)/C=C/c3ccccc3)C[C@@]21C 34238691 MZRGOEIFXVZAOF-DVUOHMAFSA-N 384.516 4.270 0 1 GIAF O=C(c1ccc(Oc2ncccc2-c2cccnc2)cc1)c1nc2ncccc2[nH]1 139292461 KZENGBHRFVVWAA-UHFFFAOYSA-N 393.406 4.438 0 1 GIAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82136373 FTLKSZLFZTTWRC-KXBFYZLASA-N 382.483 4.191 0 1 GIAF c1ccc(CCn2c(C3CC3)nc3c(NCc4cccs4)ncnc32)nc1 82178298 BERUQDHYVSJNLF-UHFFFAOYSA-N 376.489 4.015 0 1 GIAF O=C1CCCN1CCCNc1cc(Oc2ccc(-c3ccccc3)cc2)ncn1 82067660 YIGKDCSHJJAFFF-UHFFFAOYSA-N 388.471 4.360 0 1 GIAF Cc1c(COc2cccc(F)n2)cncc1-c1cc2c(cc1F)N(C)C(=O)CC2 221049657 QDMUYGNVQHGOLQ-UHFFFAOYSA-N 395.409 4.218 0 1 GIAF Cc1cccc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)cc2C)n1 43204808 CQKNWRAJYFJUFS-ICSRJNTNSA-N 378.520 4.014 0 1 GIAF CC(C)n1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2)CC3)n1 141187612 OCQWTSBBTMURNF-UHFFFAOYSA-N 399.502 4.088 0 1 GIAF CNC(=O)c1ccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1 143267829 PFFMVESBLRFNBU-OAQYLSRUSA-N 383.369 4.492 0 1 GIAF CCCc1c(-c2ccc(OC)c(OC)c2)[nH]c2c(OC)ccc(OC)c2c1=O 141822347 OSTCLUSJTWXHEU-UHFFFAOYSA-N 383.444 4.182 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cnc(SC)nc1SC)CC2=O 587491674 MSBVLFWBAASZEP-HNNXBMFYSA-N 376.503 4.285 0 1 GIAF Cc1cc(Br)ccc1OCc1nc2cc(C(=O)O)c(F)cc2[nH]1 586980563 ACSBGZDNYMBLPZ-UHFFFAOYSA-N 379.185 4.050 0 1 GIAF COc1cc(OC)c2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c1 587168480 XPJQDMXCEPNGRR-MRXNPFEDSA-N 384.411 4.088 0 1 GIAF O=C(O)c1cccc2c(-n3ccnc3)c(-c3ccccc3Br)[nH]c12 587636713 FHGBCNYHVHJNKS-UHFFFAOYSA-N 382.217 4.481 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)c(OC)c1)[C@@H](C2)C3=O 587414720 WTZRXZGDCCGDKD-ORAYPTAESA-N 389.245 4.129 0 1 GIAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(Br)c(F)c3[nH]2)cc1 587934768 GADVIQOLFSEWFJ-XXFAHNHDSA-N 379.229 4.310 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccnc1SC 587863098 CMPOUDWXFJLMNM-UHFFFAOYSA-N 393.390 4.383 0 1 GIAF CCOC(=O)C1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCC1 587347596 LQATVRSPBGWQGG-DENIHFKCSA-N 398.430 4.382 0 1 GIAF COc1ccc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587693125 CXNBFRGQLAUMCB-GLEZIHRCSA-N 385.664 4.269 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cccc(C)c1)CC2=O 587481538 NBJVUFNJNAWULC-QHCPKHFHSA-N 382.456 4.467 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3ccccc3c2=O)N1 587839210 DTRJMGKNOSRRJL-XTZNXHDOSA-N 388.236 4.318 0 1 GIAF FC(F)(F)Oc1cc(Br)c2[nH]c(CCOCC3CC3)nc2c1 587784105 LEXCDGGRISPNSH-UHFFFAOYSA-N 379.176 4.193 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587420879 JPLBFCZLYUKFCZ-PGRDOPGGSA-N 377.827 4.435 0 1 GIAF C[C@@H](Sc1ncccn1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586962455 SBEXKLNAONNUHE-SSDOTTSWSA-N 375.326 4.255 0 1 GIAF COc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Cl 587127153 SWTYAZYUFQWAJR-WPPNPWJKSA-N 385.777 4.396 0 1 GIAF Cc1ccc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587355610 VOYQOPGPSPBZQX-NFBKMPQASA-N 392.382 4.179 0 1 GIAF CN[C@@H](c1cccnc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587225580 XWNCYHANXZPUIB-LBPRGKRZSA-N 385.187 4.048 0 1 GIAF COC(=O)c1cccc2c1c([C@H]1c3cc(OC)ccc3CCN1C(C)C)cn2C 962089485 JVQJPBCOOYAJDJ-HSZRJFAPSA-N 392.499 4.329 0 1 GIAF CCCc1nnc(-c2ccc([C@@H]3N[C@H](C)Cc4c(OC)ccc(OC)c43)cc2)o1 963583951 RTKPSMFMYVIFMP-PEBXRYMYSA-N 393.487 4.330 0 1 GIAF COCCn1nc(C)c([C@]2(C)NCCc3cccc(-c4ccccc4)c32)c1C 962674330 WFXMOUWOUIXNSE-DEOSSOPVSA-N 375.516 4.223 0 1 GIAF CCOc1ccnc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962642121 NOFPRJWOPXJXFL-PXDATVDWSA-N 385.511 4.317 0 1 GIAF CC(C)COc1ccc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962729677 JFJUPTDETVOIBY-MOPGFXCFSA-N 377.406 4.457 0 1 GIAF Cc1cc2cc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)ccc2[nH]1 13441676 CBFKPANXJWRIIF-UHFFFAOYSA-N 389.455 4.238 0 1 GIAF COc1cc2c(cc1O)O[C@H]1c3c(cc4c(c3OC)C=CC(C)(C)O4)OC[C@@H]21 14613207 CEAWIMABVSITMV-YEJXKQKISA-N 382.412 4.203 0 1 GIAF biogenic CCCCN(CC)c1nc(C)nc2c1NCCN2c1ccc(C(C)=O)cc1C 14975093 CQBYFIKAPGAYHV-UHFFFAOYSA-N 381.524 4.486 0 1 GIAF C/C=C/c1cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc2c(NCC(C)C)n1 169220318 PJTRJBMDSXNEFE-SNAWJCMRSA-N 389.503 4.390 0 1 GIAF O=C(c1cc(F)cc(F)c1)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 201474311 KRMGFAILXPTSOG-LLVKDONJSA-N 375.400 4.096 0 3 GIAF CC(C)S(=O)(=O)c1ccc2[nH]ccc(=Nc3ccc4ncsc4c3)c2c1 1857568534 XXUZHBQHZWBYMN-UHFFFAOYSA-N 383.498 4.192 0 1 GIAF C[C@H]1C[C@H](C)CN(c2ccc3[nH]c(=O)c(CSCc4ccccc4)nc3n2)C1 766812 AUVZNTLBDVGMMH-HOTGVXAUSA-N 394.544 4.234 0 1 GIAF COc1cccc(Cn2c(C)c(CNCc3cccc(C)c3)c(C(=O)O)c2C)c1 8614240 XGWOSEOVWHXHTF-UHFFFAOYSA-N 392.499 4.458 0 1 GIAF aggregator CCCCCn1cc(C(=O)NCc2ccc(OC)cc2)c(=O)c2ccccc21 13678307 WMZZLLUSLFAGGN-UHFFFAOYSA-N 378.472 4.130 0 1 GIAF CCCC1([C@@H](O)C/C=C/[C@@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O)CCC1 26169462 HJVBXPOYFHMZAS-TVKDHNQNSA-N 392.536 4.031 0 1 GIAF Cc1cccc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)cc2)c1 27090270 WXAWQCYWZHWVTR-UHFFFAOYSA-N 380.391 4.474 0 1 GIAF CCc1ccc(NC(=O)Cc2cs/c(=N/c3ccc(C(C)=O)cc3)n2C)cc1 29124890 ZXRJZOVZVOETGP-ZNTNEXAZSA-N 393.512 4.265 0 1 GIAF CO[C@H](C)C(=O)N(c1ccccc1)[C@H]1CCN(CCc2cccs2)C[C@H]1C 34114409 LZKVXBQOOPUNCP-OPYAIIAOSA-N 386.561 4.069 0 1 GIAF O=c1cc(NCCCN[C@@H]2CCOc3c(Cl)cccc32)[nH]c2ccccc12 45301754 UEULZSPDPPMAIP-QGZVFWFLSA-N 383.879 4.097 0 1 GIAF O=C(N[C@@H](c1cccc(Cl)c1)C1CCNCC1)c1ccc2cnccc2c1 72179882 OCQHKPAKNNORHZ-OAQYLSRUSA-N 379.891 4.359 0 1 GIAF COc1ccc(Br)c(-c2nnc3n2N[C@@H](c2ccccc2)S3)c1 73294538 KIZUVBHTUYLWEI-OAHLLOKOSA-N 389.278 4.064 0 1 GIAF CC1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2)CC1 82133345 AGKJYOSAYKTCOY-OALUTQOASA-N 392.547 4.498 0 1 GIAF Cc1ccc(CNc2ncnc3c2nc(C2CC2)n3CC[C@H]2CCCN2C)cc1 82179398 JUEOBKYFAIDQOY-LJQANCHMSA-N 390.535 4.109 0 1 GIAF COCCn1c(-c2ccccc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184767 PCDYGXSUIRDBDI-UHFFFAOYSA-N 393.878 4.405 0 1 GIAF CCCCCNc1ncnc2c1nc(-c1ccoc1)n2CCc1ccccn1 82186300 NUVKYAATWOPANC-UHFFFAOYSA-N 376.464 4.326 0 1 GIAF COC/C=C/c1ccc2c(c1)[C@H](COC(C)=O)[C@H](c1ccc(OC)c(OC)c1)O2 95486004 HKPBKTJFDWPYQN-IDDCSHTPSA-N 398.455 4.144 0 1 GIAF biogenic,in-vitro COc1ccc(CNC[C@H]2CCC[C@@H](CNCc3ccc(OC)cc3)C2)cc1 95587885 JNZDNHDIVPTPOV-SZPZYZBQSA-N 382.548 4.390 0 1 GIAF O=C1[C@H]2c3[nH]c4ccccc4c3[C@H]3CCSC[C@H]3[C@@H]2C(=O)N1c1ccccc1 105482390 LXYBVCDNTFPEED-SOHDHNSJSA-N 388.492 4.291 0 1 GIAF COC1CCN(c2nccc(Nc3cc4c(ccn4C4CCCC4)cn3)n2)CC1 219082815 BYMFSZLMPVZBJV-UHFFFAOYSA-N 392.507 4.300 0 1 GIAF in-vitro CC(C)C[C@@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 223659038 GAWOTTYOWRROJP-OAHLLOKOSA-N 381.549 4.417 0 1 GIAF O=[S@@](CCCc1nc2cc(F)cc(F)c2[nH]1)c1ccc(Br)cc1 586961967 ZUEMRKYIULSBMW-QHCPKHFHSA-N 399.260 4.344 0 1 GIAF Cc1nn(Cc2nc3cc(Br)cc(C)c3[nH]2)c(C)c1Br 586978669 ARLMXQIVKGXQHP-UHFFFAOYSA-N 398.102 4.258 0 1 GIAF CCc1c([C@@H](CC)C(=O)OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991310 JGUATVZDQJSONM-CYBMUJFWSA-N 375.424 4.381 0 1 GIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 587198588 MHBKTXUGAUDBHG-UHFFFAOYSA-N 393.447 4.492 0 1 GIAF Cc1csc(Cl)c1C(=O)c1c(CO)oc2cc(Br)cnc12 587275597 CDTUMJJWGPLHJW-UHFFFAOYSA-N 386.654 4.337 0 1 GIAF CCC[C@@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351973 VSVKPVQZOBZPAG-IRLDBZIGSA-N 386.419 4.382 0 1 GIAF C[C@@]1(c2cc(C(=O)O)co2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353198 MLIZSVGMCDGFJG-NQIIRXRSSA-N 382.343 4.097 0 1 GIAF COC(=O)c1ccc(OC(C)C)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587398858 FYNULEAYIZDBRI-JOCHJYFZSA-N 383.444 4.032 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC3CCOCC3)nc1)CC2=O 587486786 LMPLPAFVVRXYQA-FQEVSTJZSA-N 383.444 4.004 0 1 GIAF COC(=O)[C@H](C)[C@@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587524288 LKRGCSYUPWIHAI-IZHWHUGBSA-N 394.467 4.244 0 1 GIAF CCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(C)C)n1 587579263 CYWSOWMJKIAVBB-PGRDOPGGSA-N 378.428 4.435 0 1 GIAF CCc1cc(OC)c(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587592194 JBUURNCIMYUYDY-AUSIDOKSSA-N 392.407 4.372 0 1 GIAF C[C@]1(c2c(N)sc3c2CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587618304 NNLVDUFBNROHHP-XMSQKQJNSA-N 393.464 4.402 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2ccc(F)c(F)c2)N1 587725288 ORGBHGMUEISUJV-BCTVWOGZSA-N 384.195 4.325 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ncc(F)cc23)N1 587734375 RBGBRRIQFDIKPT-BCTVWOGZSA-N 378.220 4.227 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C[C@H]2N=O 587742945 VDPMDMIPTADXIE-AQQIJUCISA-N 375.241 4.057 0 1 GIAF COc1cc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587768035 CKHAGAOHZHVELY-MGNBDDOMSA-N 379.273 4.232 0 1 GIAF CCOC(=O)c1[nH]c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587794423 UWIGXDDSXCNDOL-DYZYQPBXSA-N 395.272 4.025 0 1 GIAF CCC(=O)OC1=C(C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587813588 VWHMJFGWFVKONG-ADLMAVQZSA-N 382.273 4.339 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2CCC(=O)O)N1 587829222 RCPPOVJFKNBOJZ-YNKQFZHNSA-N 384.289 4.373 0 1 GIAF COC(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587847545 LGTIFYWKCHPAPH-XYZCENFISA-N 398.297 4.234 0 1 GIAF CCOC(=O)CCCC[C@@]1(C2CCCC2)c2ccsc2CCN1C(N)=O 962710389 LVCCYCXVTDHUBV-HXUWFJFHSA-N 378.538 4.194 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(C=C(c3ccccc3)Oc3ccccc32)N1 962920909 NBKWBPFHQQOWIT-CYFREDJKSA-N 387.410 4.102 0 1 GIAF CCOC(=O)[C@@H]1CCc2ccoc2[C@@]12N[C@H](CC)Cc1c2[nH]c2ccccc12 962958336 PSFRKQPBRFWCFT-KFCXZAFISA-N 378.472 4.054 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2C1(CCC(N)=S)CCCCC1 963608653 LMMSKVSSMDMTTE-VLIAUNLRSA-N 376.566 4.296 0 1 GIAF COCC(C)(C)[C@H]1c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963842028 UUPZWSUDQNWFGI-VQIMIIECSA-N 391.508 4.345 0 1 GIAF COc1cc(F)c(CCCNc2cc(Cl)ccc2-n2cncn2)cc1OC 1857565869 BTTUVWXWPWQYAH-UHFFFAOYSA-N 390.846 4.122 0 1 GIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1[C@](C)(C(=O)OC)CCC[C@]12C 2356670062 YSYZPARABHAHEC-CLMCDVRKSA-N 378.509 4.193 0 1 GIAF CO[C@]1(c2cc(O)ccc2O)C=C(CCC=C(C)CCC(=O)C(C)C)C(=O)O1 2356804060 AAKOJKILQYULNF-JOCHJYFZSA-N 388.460 4.112 0 1 GIAF COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccnc3)c2)cc1 4659786 QOYLFBHTWZFSFI-UHFFFAOYSA-N 381.819 4.248 0 3 GIAF CCN1C(N(C)CCc2cccs2)=N[C@@H](c2ccccc2)C(C(=O)OC)=C1C 15937388 QXILAYFCODZUNQ-FQEVSTJZSA-N 397.544 4.102 0 3 GIAF O=C(O)c1cccc(-c2csc([C@@](O)(c3ccccc3)C(F)(F)F)n2)c1 61907311 XXAZZTJZQZXIQS-KRWDZBQOSA-N 379.359 4.307 0 3 GIAF CC(C)CC(C/C=C1\C[C@](CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C 1659270 XKEOGEXDEKIDNA-YISAHFMGSA-N 382.541 4.279 0 1 GIAF CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)[n+](C)c1-c1ccccc1 2022436 KTSBDIPORAODJT-UHFFFAOYSA-N 386.537 4.373 0 1 GIAF Cc1ccc(CCNS(=O)(=O)c2ccc3[nH]c(-c4ccccc4)nc3c2)cc1 4873399 GAGVBLBATWHHEX-UHFFFAOYSA-N 391.496 4.059 0 1 GIAF CC[C@@H](Sc1nncn2c1cc1oc(C)cc12)C(=O)NCc1ccc(C)cc1 6894066 PZCVDMIQXVTRQF-LJQANCHMSA-N 394.500 4.279 0 1 GIAF CCNCCCNCCCCCCCNCCCNCC1CCCCCC1 26658500 PKGJERBIBKUPFE-UHFFFAOYSA-N 382.681 4.066 0 1 GIAF NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCCC(F)(F)F)C3)nc1 28825045 VDOHQZQHJVCMBN-UHFFFAOYSA-N 393.409 4.064 0 1 GIAF Nc1nc(-c2c(-c3ccc(F)cc3)nn3c(NC4CCCC4)cccc23)c[nH]1 28890508 FAFZZEYJZBQYRF-UHFFFAOYSA-N 376.439 4.467 0 1 GIAF CCNC(=O)c1ccc2c(c1)nc(Cc1ccc(OCC)cc1)n2CC1CC1 40849068 IKMYJSYOOYHKEF-UHFFFAOYSA-N 377.488 4.186 0 1 GIAF CCCN(CC1CC1)c1nc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12 40917953 GDZGXQSSIIIYMF-UHFFFAOYSA-N 379.508 4.352 0 1 GIAF Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cn4ccccc4n3)cc2)n1 43011899 SZSYBSJMCBCOQS-UHFFFAOYSA-N 381.439 4.376 0 1 GIAF O=C(Nc1cccc(F)c1)Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1 45336084 NCIJENIIDWWRGV-UHFFFAOYSA-N 378.363 4.432 0 1 GIAF Cc1ccc(/C=C(/C2=NCCCN2Cc2ccc(Cl)nc2)[N+](=O)[O-])s1 59085505 MVZNKQJZLURCPS-DHDCSXOGSA-N 376.869 4.027 0 1 GIAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccco2)C1 82142350 TVQIWVNWOTXFDY-SJORKVTESA-N 382.508 4.378 0 1 GIAF Nc1ncnn2c(C3CCC3)nc(-c3ccc(C(=O)c4ccccc4)cc3F)c12 96168315 CADXEXXIHNDCCN-UHFFFAOYSA-N 387.418 4.011 0 1 GIAF O=C1NC(=O)/C(=C/c2ccc(OCCOC3CCCCC3)c(Cl)c2)S1 96282297 GBQLHOTZILANFI-WJDWOHSUSA-N 381.881 4.392 0 1 GIAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)C1 96929231 PLOHAMWJMYYAHV-FDDCHVKYSA-N 392.547 4.068 0 1 GIAF O=C(Nc1nc(Cl)c2cn(CCc3ccccc3)nc2n1)c1ccc(F)cc1 103263548 BGZVPALPZNCIET-UHFFFAOYSA-N 395.825 4.114 0 1 GIAF Cc1c(N(Cc2ccc(Cl)c(Cl)c2)N=O)ccc2nc(N)nc(N)c12 169344371 GZSYMTJZGIUEHH-UHFFFAOYSA-N 377.235 4.097 0 1 GIAF O=C1O[C@H](CN2C=CN3CCCCC[C@H]32)CC1(c1ccccc1)c1ccccc1 169351847 OJMXVAUEGJBCIM-XZOQPEGZSA-N 388.511 4.277 0 1 GIAF COC(=O)N1C2=C(c3ccccc3[C@@H]1CC(=O)O)[C@@H]1O[C@H](C2)c2ccccc21 195356237 GLKGSBGQSUVJBZ-YRISNDGFSA-N 377.396 4.212 0 1 GIAF OB1OCc2ccc(-n3cccc3Sc3ccc(Cl)c(Cl)c3)cc21 221692555 APRPLHZKZAYNGJ-UHFFFAOYSA-N 376.073 4.153 0 1 GIAF COc1ccc([C@@H]2CC(=O)N[C@@H]3CCCC[C@H]3N2Cc2ccccc2)cc1OC 299845695 PBSSDXVPVMQJOQ-NJYVYQBISA-N 394.515 4.078 0 1 GIAF Cc1cc(C(=O)O)nc(N2C[C@H]3C[C@H](c4ccccc4C(F)(F)F)C[C@H]3C2)n1 474609937 XODSGAMMDBEEFN-BTTYYORXSA-N 391.393 4.132 0 1 GIAF Clc1cnc(Cl)c2[nH]c(-c3cnn4cccc(Br)c34)nc12 587006847 QFBORKVLAJFXSS-UHFFFAOYSA-N 383.036 4.342 0 1 GIAF FC(F)(F)c1ncc2nc(-c3csc(-c4ncccc4Cl)n3)nc-2[nH]1 587017298 IXFUNTVRBGQIOY-UHFFFAOYSA-N 382.758 4.162 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3ccc4c(c3[nH]2)CCCC4)C(F)(F)F)n1 587094400 RHIIWRGASYKHDF-KRWDZBQOSA-N 381.423 4.199 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Sc3ccccc32)[C@H]1c1ccc(F)cc1 587371978 GWYKYEQDHVPJRB-UGKGYDQZSA-N 392.407 4.418 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1c(C)cccc1Cl)[C@@H](C2)C3=O 587424105 XHGRWBHPWWUULO-QKKBWIMNSA-N 385.847 4.192 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccc(F)cc4)c1C)[C@@H](C2)C3=O 587429759 WUIKFCOEDLWEED-JTSKRJEESA-N 378.403 4.126 0 1 GIAF CCOC(=O)[C@H](CC(C)C)n1cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432670 YXFHETFLRXRDLF-TVTNDZMWSA-N 397.471 4.136 0 1 GIAF CCOC(=O)[C@@H](CC)[C@]1(c2cccc(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440617 HGBCFJFCJWDIHX-IECBHUPTSA-N 394.467 4.236 0 1 GIAF CCN[C@H](C)[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587753169 GLTGOABTNOHWPU-LRDNONRASA-N 391.328 4.364 0 1 GIAF Oc1nc(S)nc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 587784126 LVKKWODISUZCEF-FLIBITNWSA-N 376.441 4.097 0 1 GIAF CCOC(=O)CC1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587799931 VBTFJGSYHNYOBO-GLIABKTBSA-N 398.316 4.461 0 1 GIAF C[C@@H](O)Cc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587835468 XEYWXWLRVHCQNI-HNYWDRBLSA-N 378.285 4.135 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(C)nc(SC)n1 587863723 RRFXQMIGZPZTBT-UHFFFAOYSA-N 380.395 4.387 0 1 GIAF Cc1c(F)ccc2c1[C@H](c1ccc(I)cc1F)NCC2 962143611 IICYXRBDCDXZCD-INIZCTEOSA-N 385.195 4.113 0 1 GIAF Cc1ccc2c(c1)C(=O)[C@H]([C@@H]1c3ccsc3CCN1Cc1ccco1)C(=O)O2 962699736 AMAVBPVMLUWERD-PMACEKPBSA-N 393.464 4.167 0 1 GIAF CC[C@]1(c2ccc(Br)cc2F)NCCc2c1c(C(C)C)nn2C 962918038 MRQPQVFFYRHADI-GOSISDBHSA-N 380.305 4.244 0 1 GIAF COc1ccc([C@@H]2[C@H]3C=CC=C[C@@H]3C(=O)N2c2ccc3nc[nH]c3c2)cc1F 1772654574 WGJVCYNPCKHATC-CKJXQJPGSA-N 375.403 4.157 0 1 GIAF Fc1ccc(COc2ccc(CNc3cccc(-c4nn[nH]n4)c3)cc2)cc1 1857615627 QAPYTHHFLSDTIT-UHFFFAOYSA-N 375.407 4.197 0 1 GIAF Cc1cccc(C2=NN(C(=O)Cc3ccc(Cl)cc3)[C@](O)(C(F)(F)F)C2)c1 1857638162 XVCQYLVMIYHESG-GOSISDBHSA-N 396.796 4.078 0 1 GIAF N=c1sc2cc(OC(F)(F)F)ccc2n1CCn1cc(C2CCCC2)nn1 1857747817 RADQSPXPDKLTNM-UHFFFAOYSA-N 397.426 4.030 0 1 GIAF COc1cc(O)ccc1[C@@H]1CC(=O)c2c(O)c(C)c3c(c2O1)C=CC(C)(C)O3 2356417242 VVRPWWPKYFKUQV-KRWDZBQOSA-N 382.412 4.306 0 1 GIAF CCCCNC(=O)c1sc2ncnc(N3CCc4ccccc4C3)c2c1C 2931591 LLCUUEOFKKITPL-UHFFFAOYSA-N 380.517 4.092 0 3 GIAF C[C@]1(C(=O)N2CCCCC2)CCN1C(=O)c1ccccc1CCc1ccccc1 61898222 QWFIJOXOXPFGOS-RUZDIDTESA-N 390.527 4.089 0 3 GIAF C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CBr 13521345 LUHNMRYTDWWUNV-URNBORRASA-N 395.337 4.435 0 1 GIAF Cc1cc(C)c2c(n1)N=C(c1ccc(-n3c(C)nc4cnccc43)cc1)CC(=O)N2 13743162 HPDPZQPMNFMUFQ-UHFFFAOYSA-N 396.454 4.204 0 1 GIAF C1=C(CCN2CCN(c3cccc4c3OCCO4)CC2)c2ccccc2CCC1 13743678 GXSXVVWXSRXEPP-UHFFFAOYSA-N 390.527 4.390 0 1 GIAF CC(C)(C)NC(=O)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 27085927 QMFUKPSCWBVUJU-GHAOYRIXSA-N 386.580 4.205 0 1 GIAF COc1cccc(NC(=O)NCCCN2CCC[C@H](Cc3ccccc3)C2)c1 29402571 QHRGJOOBZYAGCN-HXUWFJFHSA-N 381.520 4.162 0 1 GIAF COc1c(C/C=C(\C)CO)cc(C(=O)O)cc1C/C=C(\C)[C@H](O)CC=C(C)C 31167219 OEMOEHNEHVNPSL-VRBJEUMGSA-N 388.504 4.081 0 1 GIAF CCN(CC)CC(=O)N1C[C@H](c2ccccc2)Oc2c(C)c(C)c(OC)c(C)c21 101656901 RWJBRBTVKREYLN-HXUWFJFHSA-N 396.531 4.429 0 1 GIAF C[C@H](/C=C/C(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924396 BXUVIKFICAYYEQ-APOROQGKSA-N 390.564 4.254 0 1 GIAF C[C@@]1(c2cc(Cl)cc(NC(=O)c3ccc(Cl)cn3)c2)CCSC(N)=N1 141480660 ISFYHTGWOJKTMA-KRWDZBQOSA-N 395.315 4.308 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cccc(OC4CCCC4)c3)C2)cc1 142186718 WUGQYUNULRGEAL-KRWDZBQOSA-N 394.515 4.473 0 1 GIAF O=C1CCc2ccc(NC(=O)N[C@H]3CC4(CCC4)Oc4ccc(F)cc43)cc2N1 144412152 UNTLHSLTNANOJC-SFHVURJKSA-N 395.434 4.278 0 1 GIAF COc1ccc(-c2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)c(OC)c1 169312275 NOZZBEBNQRQPGG-UHFFFAOYSA-N 381.428 4.459 0 1 GIAF CC(C)(C)C1=NN(c2ccc(S(=O)(=O)O)cc2)[C@@H](c2ccc(F)cc2)C1 218487948 XYSLSXGNOVODGL-QGZVFWFLSA-N 376.453 4.426 0 1 GIAF CC(=O)OC[C@]1(C)C[C@@H](O)C[C@@]2(C)[C@H](CC[C@@H](C)CC(=O)O)C(C)=CC[C@@H]21 238776935 GXBYKTXXIICGPG-PMRIDKAVSA-N 380.525 4.190 0 1 GIAF COc1cc(OC)c(C(=O)Nc2ccc(-c3cccnc3)cc2F)c(OC)c1 299832124 KZIMTHXEZLWUNM-UHFFFAOYSA-N 382.391 4.166 0 1 GIAF CSc1sc(-c2nc3cccnc3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920798 YOPMHBQUNGCHFC-UHFFFAOYSA-N 387.939 4.244 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3cc(Cl)ncc3[nH]2)[C@@H]1c1ccccc1Cl 587061048 IATLIRRNPGOHPH-DIFFPNOSSA-N 375.259 4.342 0 1 GIAF Oc1ncnc2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587072167 WRFJKXILQFUTRZ-TWGQIWQCSA-N 378.819 4.461 0 1 GIAF C[C@@H](c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)c1ccccc1C(F)(F)F 587098706 SNYGVVYZSRNAIF-CQSZACIVSA-N 388.437 4.485 0 1 GIAF CCC1=C(C)N[C@H]2c3nc4cccc5c4c(c3CCN2C1=O)-c1ccccc1C5=O 587107368 RFMAOFAEHUTZNC-XMMPIXPASA-N 395.462 4.117 0 1 GIAF C[C@@H](c1nc2ncc[nH]c-2n1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199555 IJHYHIDJNZCUTJ-AWEZNQCLSA-N 399.454 4.246 0 1 GIAF CC[C@]1(C2(C(=O)OC)CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345914 ADCMOSRRABAXFB-XXBNENTESA-N 398.430 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3c(Br)cc(C)cn13)O2 587373018 OWJBOGASRSAWQU-MRXNPFEDSA-N 386.249 4.002 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4ccc(Br)cc14)[C@@H](C2)C3=O 587418248 OCPXVONNIOICAO-DJJJIMSYSA-N 384.229 4.428 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc2c(c1)CCO2 587608292 JWOJQFHUZPRESA-IFMALSPDSA-N 388.419 4.290 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2=COCC2)(C(F)(F)Cl)N1 587706651 RKLNAKAZNWJJBF-RTHLEPHNSA-N 396.634 4.454 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)c[nH]c3nccc2-3)N1 587732512 MPYAJHMZSWOZDE-BCTVWOGZSA-N 378.220 4.179 0 1 GIAF COc1cccc(-c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c1O 587786440 LINWOSNAYOJQGK-UHFFFAOYSA-N 377.238 4.494 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587823717 VUBWUZOVDXWTPY-AJIVVGLMSA-N 382.317 4.135 0 1 GIAF Oc1cc(-c2ccc(F)cc2)c(O)n1NCc1ccccc1Br 587940482 KZWPNGNTZDULQM-UHFFFAOYSA-N 377.213 4.212 0 1 GIAF Nc1nc2cc(-c3ccccc3)ccc2c(=O)n1C[C@H]1C[C@H](c2ccccc2)CO1 653784998 RNOWCBRECJJYFL-LEWJYISDSA-N 397.478 4.218 0 1 GIAF O=S(=O)(Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1)c1ccccc1 1857541653 XZWNQDCWARRXBC-UHFFFAOYSA-N 382.460 4.189 0 1 GIAF COc1ccc(OC)c2c1C[C@H]1c3cc(Cc4ccccn4)sc3CCN1C2 1857643363 HBODCSTXGPKTQL-FQEVSTJZSA-N 392.524 4.407 0 1 GIAF CCCc1ccc([C@@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)s1 1857761280 KAYQGRXLMYKZRI-HXUWFJFHSA-N 388.496 4.442 0 1 GIAF CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 4786988 SYXGQKHLXSLQJL-OAQYLSRUSA-N 390.487 4.202 0 3 GIAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 773888 HFSFWDAOBGMTOI-RTBURBONSA-N 392.455 4.051 0 1 GIAF Cc1cccc(-c2nc(C[S@@](=O)CC(=O)N[C@H](C)c3ccccc3)c(C)o2)c1 5057948 JFWORTVDCIYIFT-HJWYETAXSA-N 396.512 4.085 0 1 GIAF Cc1c(NC(=O)C23C[C@H]4C[C@H](CC(C)(C4)C2)C3)c(=O)n(-c2ccccc2)n1C 13150420 GIQAEFHRBOMOMH-WDXRGRCHSA-N 379.504 4.029 0 1 GIAF CC1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Cc3c(Cl)cccc3Cl)nc21 13475189 BSNUXTKZOYCUGV-UHFFFAOYSA-N 388.254 4.008 0 1 GIAF CC(=O)Nc1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1 13680231 DUPYXLAIMCPQTQ-UHFFFAOYSA-N 376.416 4.263 0 1 GIAF CC(C)n1cc2c3c(cccc31)[C@H]1C=C(COC(=O)C3CCC3)CN(C)[C@@H]1C2 13793986 ZLPGUKPHNGXVBD-IFMALSPDSA-N 378.516 4.446 0 1 GIAF CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(Cl)cc4)oc23)CC1 25988419 PFFIKDZTCQXWLA-UHFFFAOYSA-N 383.831 4.244 0 1 GIAF CCCCC(O)(CCCC)c1n[nH]c(-c2cccc(C(F)(F)F)c2)nc1=O 27553131 KLYALCWFZOVDRY-UHFFFAOYSA-N 383.414 4.419 0 1 GIAF CC(C)N(c1nc2c(ncn2-c2ccccc2)c(=O)n1-c1ccccc1)C(C)C 40919278 AXJGEEYRJNPULJ-UHFFFAOYSA-N 387.487 4.195 0 1 GIAF CCCN(CCC)c1nc2c(c(-c3ccc(C)cc3C)c(C)n2C)c(=O)n1C 71329547 UDJXZALLWKIJIJ-UHFFFAOYSA-N 380.536 4.491 0 1 GIAF CCCOc1cccc(-c2[nH]c3cc(OC)ccc3c(=O)c2C(=O)OCC)c1 95552652 HLZLABVDBYMCKV-UHFFFAOYSA-N 381.428 4.169 0 1 GIAF O[C@H](CCOc1cccc2[nH]c3ccccc3c12)CN1CCOc2ccccc21 96939733 CGYGANPUCOWZMT-QGZVFWFLSA-N 388.467 4.350 0 1 GIAF COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nc(O)c32)c1 104038936 GXIODKXDINALTR-HNNXBMFYSA-N 399.472 4.135 0 1 GIAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc2occc(=O)c2c1 115764943 MVQZOCIHSJQUGJ-UHFFFAOYSA-N 381.819 4.497 0 1 GIAF O=C1NC(=O)/C(=C/c2cccc(OCCOC3CCCCC3)c2Cl)S1 115794367 SBYXYOQIZOCPES-PTNGSMBKSA-N 381.881 4.392 0 1 GIAF COc1cccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3c3ccccc3)n2)c1 142130169 MXKKZDXOIVAYTQ-HNAYVOBHSA-N 390.443 4.356 0 1 GIAF COC(=O)C[C@@H]1[C@@H]2C[C@H](Cc3ccccc3)[C@@H](C[C@H]1Cc1ccccc1)N2C 195314232 XXQUTIIQIQULCG-BAHGYDIPSA-N 377.528 4.360 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586888646 WYDQATXYVAVDJQ-LIRRHRJNSA-N 383.245 4.395 0 1 GIAF N[C@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 586997755 UKYFXHDCBOVQMZ-SNVBAGLBSA-N 386.627 4.500 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(OC)nc4[nH]3)cc2F)c1 587144150 RSXFXTIGUQSFFQ-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF Nc1ccc2oc(-c3nc4cccc(I)c4[nH]3)cc2c1 587252156 RXBGFZBNIMJGQT-UHFFFAOYSA-N 375.169 4.163 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(N)cc4ccccc34)[nH]c2c1 587252297 VVIFHKCFOMPXPY-UHFFFAOYSA-N 394.500 4.044 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nnn(-c3ccc(Cl)cc3)c1C)O2 587380258 RVKPVOXQMBOGGE-HXUWFJFHSA-N 382.851 4.000 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCCc4ccc(Br)cc41)[C@@H](C2)C3=O 587416611 DLUGGLWZFQAOHW-OXJNMPFZSA-N 385.257 4.437 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4COc4cc(F)ccc41)[C@@H](C2)C3=O 587429626 VWMMAUHSGVJIHM-CYFREDJKSA-N 388.394 4.418 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]1NC(=O)OCc1ccccc1)CC2=O 587470035 KXEBIZCQILFCAR-NZQKXSOJSA-N 395.455 4.138 0 1 GIAF COc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccnc1Br 587499034 QJMDEXLEROKDES-MRXNPFEDSA-N 388.261 4.438 0 1 GIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OCCC(=O)O 587525987 XELFTJMUNVIMOV-HXUWFJFHSA-N 396.439 4.134 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)nc1Cl 587551595 HJSKORVBXVFRSD-CZUORRHYSA-N 389.194 4.192 0 1 GIAF COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(F)ccc12 587637007 SPPQYMHDMLMCRM-GFCCVEGCSA-N 376.428 4.208 0 1 GIAF COc1nccc(Cl)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587696276 SVDYHZPAWRAVMM-AYVTZFPOSA-N 385.664 4.269 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cnn3C)cc2F)N1 587729290 GSNLIHGVYHPNRZ-DYBLOJMWSA-N 392.247 4.238 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc(F)ccc32)N1 587734029 QASSVAZAUIPOPX-MLCYQJTMSA-N 380.232 4.288 0 1 GIAF CCCCOC(=O)CC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789279 BGXHDBUAAZRVMK-SGTLLEGYSA-N 386.305 4.461 0 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O=C(Oc1ccc(Cl)cc1OC(=O)c1ccccc1O)c1ccccc1O 49067893 UUKWBOSXPLSJOJ-UHFFFAOYSA-N 384.771 4.190 0 1 GIAF CCN(CC)CCCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OC 73158646 MHFFMADEEGAIBW-UHFFFAOYSA-N 397.471 4.285 0 1 GIAF Cc1ccc(Cn2cnc(C(=O)N(C#N)Cc3ccccc3Cl)c2C)cc1 82152434 GDEWKZWFJTYGEF-UHFFFAOYSA-N 378.863 4.325 0 1 GIAF CC1CCC2(CC1)S[C@@H](C)C(=O)N2NC(=O)C12CC3CC(CC(C3)C1)C2 95559551 JDXGCWZADJHICA-CYROMPHXSA-N 376.566 4.104 0 1 GIAF COc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)c(OC)c1 103996451 WCFMLLQNPQMYII-HXUWFJFHSA-N 385.460 4.464 0 1 GIAF COc1ccc(-c2noc(CCCCCCC(=O)Nc3ccccc3N)n2)cc1 138073051 MBYDBOTUIXEYNK-UHFFFAOYSA-N 394.475 4.459 0 1 GIAF COC1CCC2(CC1)Cc1ccc(-c3cncc(F)c3)cc1[C@@]21N=C(C)C(N)=N1 169708536 IQIVZKLXTXCLSL-HXJXPZHGSA-N 392.478 4.004 0 1 GIAF COc1ccccc1[C@H]1C[C@H]2CSC(N)=N[C@@]2(c2ccc(F)cc2F)CO1 221091171 HGPSDSIQICAGTA-UOXRKKOCSA-N 390.455 4.008 0 1 GIAF C/C(=C\COc1ccc2ccc(=O)oc2c1)CC[C@H]1[C@]2(C)CC[C@@H](O)[C@@]1(C)CO2 238742995 CTQYKKGZEKTFJL-QZFCZOCVSA-N 398.499 4.464 0 1 GIAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CNCc3ccc4occc4c3)[C@@H]2CC1 299807104 NVIYWVWPGLFIDI-LPVXIZACSA-N 395.499 4.358 0 1 GIAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 586889934 OCRIAIAZFZGRGI-QFYYESIMSA-N 389.249 4.169 0 1 GIAF Cc1cc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1F 587003449 KRTVQZTUSAKEGO-JTQLQIEISA-N 389.224 4.408 0 1 GIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(F)c(Br)c2[nH]1 587069229 GFDSVDBEETWHAX-JTQLQIEISA-N 382.664 4.403 0 1 GIAF CCC[C@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351976 VSVKPVQZOBZPAG-RBBKRZOGSA-N 386.419 4.382 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1nccn1CC)CC2=O 587471488 RRPXCOGPXPSELS-HSZRJFAPSA-N 376.456 4.470 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1)(C(=O)OCC)CC2=O 587481342 LGBXECONMYJOFT-HSZRJFAPSA-N 382.456 4.245 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc4c(cc3nc1O)OCO4)CC2=O 587488178 HTCPLMVFZBQONT-GOSISDBHSA-N 393.395 4.034 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)cc(F)c12 587571656 RNCNRJJOHKIQAP-SIKLNZKXSA-N 380.346 4.474 0 1 GIAF CC(=O)c1c(C)[nH]c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587587780 HVJSKEDTCZYVKF-AUSIDOKSSA-N 391.423 4.417 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C[C@H]1CCCCC12OCCO2 587606420 CJKYWWLZXOVUKV-YSGRDPCXSA-N 396.439 4.046 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nn(C)c3ccccc23)N1 587766768 XBZBNYILRFRUPG-JEOXALJRSA-N 388.284 4.273 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2ccccn2)N1 587769375 FXPDWRFSCXELFZ-ZUOKHONESA-N 398.279 4.204 0 1 GIAF CC[C@]1([C@H](C(=O)OC)C(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808529 OHADRTNVMYWWNO-KQYVJACZSA-N 386.305 4.173 0 1 GIAF CCCNc1cc(OCC)c(Br)cc1-n1c(O)c(C)c(C)c1O 587936956 OBAHSASYRPFKLT-UHFFFAOYSA-N 383.286 4.488 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1ccc(O)cc1OC(F)(F)F)N(C)[C@@H](C)C2 962641709 UDCTUGDPJXMFKU-JEOXALJRSA-N 397.393 4.274 0 1 GIAF CCC[C@H](O)[C@@]1(CCC)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963178963 FKAGCQSYYWEKBN-ZOBUZTSGSA-N 393.833 4.114 0 1 GIAF NC(=O)CCc1cccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)c1 1857638249 FJLRBWPMBPSWOY-UHFFFAOYSA-N 387.487 4.454 0 1 GIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@H]2[C@@]1(C)CO 2356424285 MIINYRAQNGHRNA-VTRMHMOVSA-N 378.509 4.110 0 1 GIAF C[C@H](NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 767193 GYYGGNFFYYLXPU-ZKYUUJBMSA-N 378.403 4.388 0 1 GIAF CC(C)(CO)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774767 QGVZGHPEIPYONJ-UHFFFAOYSA-N 390.892 4.472 0 1 GIAF Cc1ccc(SC[C@H](CF)O[C@H](C)n2cnc3c(Cl)nc(N)nc32)cc1 1855779 ISLNYJOKMLBOQG-NEPJUHHUSA-N 395.891 4.036 0 1 GIAF O=C1CN(C(=O)c2cccs2)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2456481 CEHYYCHVLGWCKN-IBGZPJMESA-N 384.407 4.210 0 1 GIAF CCc1ccc([C@H]2C[C@@H](c3ccc(OC)c(OC)c3OC)n3ncnc3N2)cc1 2915273 DGPGFLRIXBIHMU-MSOLQXFVSA-N 394.475 4.013 0 1 GIAF Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NC(C)C)CC1 5043735 JNPDCZYCWBZUNU-UHFFFAOYSA-N 375.900 4.040 0 1 GIAF CC(C)N(CCNC(=O)c1ccc(Cc2nc3ccccc3[nH]2)cc1)C(C)C 8584320 GDVBNPMONWFRLR-UHFFFAOYSA-N 378.520 4.002 0 1 GIAF Cc1c[nH]c(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1 13610420 ZAKVPALBELHKFH-UHFFFAOYSA-N 386.459 4.157 0 1 GIAF COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@@H]1O[C@H]3[C@@H](C)[C@@H]1C)OCO2 17970202 CYJVZLGKOMMOJB-LXQUVBGXSA-N 398.411 4.226 0 1 GIAF CCOCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27556057 ULAOQWBWDVCIMV-DJIMGWMZSA-N 376.518 4.465 0 1 GIAF CCCCCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N 27876473 HZAODGQGYBPYAP-UHFFFAOYSA-N 390.466 4.391 0 1 GIAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(-c2ccc(O)cc2)s1 34056625 SJDXYOKFUIYJMJ-ZPMCFJSWSA-N 379.481 4.169 0 1 GIAF Cc1ccc(-n2ncc3c(N4CCC[C@@H](C(F)(F)F)C4)ncnc32)c(C)c1 40847707 MPOUFYHFTBIYSO-CQSZACIVSA-N 375.398 4.211 0 1 GIAF C[C@@H](CN[C@@H]1COc2ccccc2SC1)CSc1cccc(F)c1O 43079951 YMBJDJPWPUCCGT-UONOGXRCSA-N 379.522 4.402 0 1 GIAF CCOc1ccccc1-c1nc(CN2CCN(Cc3ccccc3)CC2)co1 72181716 GXDBIAODBIQEKZ-UHFFFAOYSA-N 377.488 4.058 0 1 GIAF Brc1ccccc1-c1nc(CN2CCN(c3ccccc3)CC2)co1 72186417 TVUOWSCQHNOBCL-UHFFFAOYSA-N 398.304 4.426 0 1 GIAF Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)NCC2CC2)c1 82146083 HVRACIWNHOHVBV-IAGOWNOFSA-N 378.520 4.074 0 1 GIAF Cc1cccc(-c2nc(N3CCCCC3)ncc2C(=O)NCc2ccccc2)c1 82146462 XJTWWWNLWOAKPJ-UHFFFAOYSA-N 386.499 4.372 0 1 GIAF CC(=O)SCCC(=O)NCCCCNc1c2c(nc3ccccc13)CCCC2 84727291 ODNHORRQJLFLLT-UHFFFAOYSA-N 399.560 4.092 0 1 GIAF CCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cc(OC)c(Cl)cc2c1=O 95553326 FHOCSIPWXXEJBA-UHFFFAOYSA-N 387.819 4.042 0 1 GIAF Cc1cccc(-c2n[nH]c(SCCCN3CCN(c4ccccc4)CC3)n2)c1 96934132 VFAVIAKAMCZXIL-UHFFFAOYSA-N 393.560 4.085 0 1 GIAF O=c1c2c[nH]c3ccc(Br)cc3c-2nn1-c1nc2ccccc2s1 102827655 YPJVOLKXFRFEFV-UHFFFAOYSA-N 397.257 4.191 0 1 GIAF CC(C)n1cc(-c2cc(CO)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cn1 144911266 NBUBABYXZQXDPT-HXUWFJFHSA-N 388.389 4.402 0 1 GIAF Cn1cc(-c2cnc3ccc(N(CC4CC4)c4cccc(C#N)c4)cc3n2)cn1 219339392 LDCGBICMQUGNFW-UHFFFAOYSA-N 380.455 4.450 0 1 GIAF O=C(O)C[C@H](NC(=O)c1cccc(-c2ccccc2Cl)n1)c1cccc(F)c1 261124164 JYTTZIXGBAIORP-IBGZPJMESA-N 398.821 4.487 0 1 GIAF COc1ccc([C@H]2C[C@]3(N(C)C)C[C@@H](O)[C@@H]2[C@H](c2ccc(OC)cc2)C3)cc1 299810475 ZKWMIFWZIBHEBK-QWQGWLCTSA-N 381.516 4.046 0 1 GIAF O=C(CCSc1nnc(-c2ccncc2)s1)Nc1ccccc1Cl 473084650 TTYLMZDNGTWQBN-UHFFFAOYSA-N 376.894 4.374 0 1 GIAF Cc1ccc(-c2nc(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)cs2)o1 587017082 RLSYOMKNDVVZPL-UHFFFAOYSA-N 379.489 4.007 0 1 GIAF CC(C)COc1cc2nc(-c3nc(Cl)cnc3N)[nH]c2cc1Br 587086732 LHUXPYJIQWEEKF-UHFFFAOYSA-N 396.676 4.053 0 1 GIAF Cc1csc([C@](O)(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)C(F)(F)F)n1 587094953 WVNIYONDAJGYAR-GFCCVEGCSA-N 397.209 4.022 0 1 GIAF CC(C)Oc1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2c1 587110824 DCRXDOJBYXYNKQ-UHFFFAOYSA-N 377.366 4.299 0 1 GIAF Cc1c(Cl)ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc12 587118906 SJGDOWLBSQRJHR-UHFFFAOYSA-N 381.745 4.443 0 1 GIAF Cc1cc2[nH]c(-c3cc(Cl)cc(I)c3)nc2c(C)n1 587183396 YZSIQQCYJOZCCJ-UHFFFAOYSA-N 383.620 4.500 0 1 GIAF CC(=O)N[C@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(C)cc1 587206349 LGEIYTOSWMMENQ-OAHLLOKOSA-N 379.357 4.449 0 1 GIAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccn1 587337960 NKASEJOLRTWKBO-IFMALSPDSA-N 379.387 4.209 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(-c3ccc(F)cc3F)c1C)O2 587385769 PYADNPQVPHTOTL-LJQANCHMSA-N 383.398 4.364 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1N1CCSCC1)CC2=O 587497008 BJNMBWOCBWGWOJ-CTNGQTDRSA-N 375.534 4.040 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCN(c1ccc(F)cc1)C2 587567418 AHQWJBIUQPDPMZ-REWPJTCUSA-N 391.398 4.142 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3cnn(C)c3c2)N1 587761461 UOAAGNTWKVYKHI-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF COc1ccc(OC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587802863 VLNCFBLXLAJHAB-MEDUHNTESA-N 380.257 4.251 0 1 GIAF CC[C@@]1(c2ccc(O)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808187 PLRVPWUMFIAZAU-WLRWDXFRSA-N 394.284 4.490 0 1 GIAF COc1ccc(-c2ccc(-c3nc4ccc(CO)cc4[nH]3)c(O)c2)cc1OC 587928123 YWABHTQGMZAMNA-UHFFFAOYSA-N 376.412 4.112 0 1 GIAF O=C(c1ccc(O)cc1O)N1CCCc2cc(-c3ncccc3Cl)ccc21 653677647 RTVPWYJBMHEYTA-UHFFFAOYSA-N 380.831 4.406 0 1 GIAF CN(C)CCC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 653821697 RFAZLOIPDUCEQS-UHFFFAOYSA-N 387.846 4.056 0 1 GIAF Cc1cccc2[nH]cc([C@H]3N[C@@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)c12 962634008 JPKZSJMXWGOLPF-AEFFLSMTSA-N 390.361 4.063 0 1 GIAF COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1OC(=O)C=C(C)C 1857554027 VWCATIAWNDHMCI-UHFFFAOYSA-N 379.412 4.441 0 1 GIAF C[C@@H](Oc1cc(-c2cnn(C3COC3)c2)cnc1N)c1cc(F)ccc1Cl 1911571298 GEIMDABMHWDGHY-LLVKDONJSA-N 388.830 4.031 0 1 GIAF CO[C@H]1[C@@H](Cc2ccc(C[C@@H]3C=C(C)[C@H](O)C[C@@H]3C(C)(C)O)cc2)C=C[C@H]1C 2356370183 MQWKANHJNPOKSF-AABJVZIXSA-N 384.560 4.323 0 1 GIAF 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@](C)(O)CC(=O)O 2356450360 RAJWFJLYEVWRML-STSMAGRRSA-N 378.553 4.232 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215891 ZPCXAUOJBCUVFD-BVSLBCMMSA-N 398.503 4.013 0 1 GIAF CN1[C@@H]2CC[C@@H]1[C@@H]1COC(=O)CCCCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 101093927 VSVUJKJXMNJRFE-CIAFKFPVSA-N 398.547 4.479 0 1 GIAF O[C@@H](c1ccc2c(c1)CN(Cc1c[nH]c3ccccc13)CCO2)c1ccccn1 55401582 CKIKSALVNHWTDQ-DEOSSOPVSA-N 385.467 4.039 0 1 GIAF C[C@@H]1C[C@H](c2ccccc2)n2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2N1 64548424 HVKXQZMYNPFSIT-DRFBCEGUSA-N 390.531 4.375 0 1 GIAF COc1ccc(COC(=O)C2(c3ccc(Cl)c(Cl)c3)CCNCC2)cc1 64549717 DETLYVFHLDMBAQ-UHFFFAOYSA-N 394.298 4.367 0 1 GIAF CCN1CCC(N(Cc2ccco2)C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 20532287 QHNVVPFIXOQPDZ-UHFFFAOYSA-N 385.552 4.244 0 1 GIAF C[C@H]1CN(c2cccc([C@H](C)NC(=O)/C=C/c3ccc(F)cc3)c2)C[C@H](C)O1 26743344 SJGNGOUFWLNZRG-JETRETHDSA-N 382.479 4.330 0 1 GIAF CC[C@@H](NC(=O)C1CCCC1)[C@@H](O)C1CCN(c2ccc(Cl)cc2)CC1 43207872 SYHYSBBZLJOCBL-UXHICEINSA-N 378.944 4.002 0 1 GIAF CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccc2c(c1)OCO2 35190748 LTFYKCCWNKVXHI-UHFFFAOYSA-N 397.862 4.191 0 1 GIAF COc1ccc([C@H]2/C=C/CN(CC(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 34961610 FZDZRMOMSMXZRC-NVIZVJJSSA-N 396.506 4.432 0 1 GIAF COc1ccc(C(=O)[C@H]2C[C@@H]2CN(Cc2ccccn2)Cc2ccccn2)cc1 84687679 NIVYIAHSNREEBH-XXBNENTESA-N 387.483 4.006 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c[nH]c(=N)s1)(c1ccccc1Cl)O2 587413059 LTXHYVJZQMCTET-LJQANCHMSA-N 385.876 4.009 0 1 GIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587077508 ZWGGWEGGHSAAQI-UHFFFAOYSA-N 379.803 4.438 0 1 GIAF COCCOC[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792857 LQEJURAAWQRZEF-XIKOKIGWSA-N 388.321 4.027 0 1 GIAF CC[C@H](C)n1cc(Cl)c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)n1 587081149 WIVLKFOEBLGJCI-NSHDSACASA-N 397.870 4.110 0 1 GIAF Cc1ccccc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655869 GLVXPWNNTIKTKL-UHFFFAOYSA-N 376.362 4.339 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cn(Cc3ccc(F)cc3)nn1)CC2=O 587465544 FPFRLMCSJBMPBL-JOCHJYFZSA-N 395.434 4.004 0 1 GIAF N[C@@H](c1ccsc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587025212 JKEIATNGKKDLDD-JTQLQIEISA-N 376.201 4.454 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)C(F)(F)F)n1 587093925 ICAZPMQHXQFDFO-ZDUSSCGKSA-N 395.328 4.339 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccccc4)Oc4ccccc41)[C@@H](C2)C3=O 587452079 CZRHHDARVDBGLE-VVMVZBAXSA-N 398.414 4.041 0 1 GIAF CCOC(=O)[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(C)C 586990547 YWUQCMIAAPOFOM-IBGZPJMESA-N 375.424 4.455 0 1 GIAF CC(C)(C)Oc1ccc(O)n1-c1nn(COc2ccccc2F)cc1Cl 587946664 VPBUHSTZYBUAMR-UHFFFAOYSA-N 379.819 4.386 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccco2)N1 587739447 GXAMYQQVCKODET-IPJYDZLXSA-N 379.273 4.034 0 1 GIAF COc1cc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587770914 KOPZVWOOLDXDCW-YPMLDQLKSA-N 379.273 4.232 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(Cl)nc32)N1 587706901 SKYVICNTPTWZIJ-VVVCHXIZSA-N 381.676 4.361 0 1 GIAF C[C@H](O)Cc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587835471 XEYWXWLRVHCQNI-UYSIFFEZSA-N 378.285 4.135 0 1 GIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccnc(Br)c2[nH]1 587108399 LVPNNSCYVMTIBO-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF O=C1COc2ccc(-c3[nH]c4cc(F)ccc4c3C(=O)C(F)(F)F)cc2N1 587633401 CORNPSHZEAEFQP-UHFFFAOYSA-N 378.281 4.050 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccco1)(c1cc3ccccc3nc1C=O)O2 587394594 IITCJDDVAQKNTC-XMMPIXPASA-N 398.418 4.440 0 1 GIAF CCOC(=O)C[C@@]1(c2ccc(F)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587380565 AUUQOBXQRKPCTH-HXUWFJFHSA-N 391.826 4.184 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C=C(C)Oc4ccc(Br)cc41)[C@@H](C2)C3=O 587418303 OOCHHLCGVGGIGC-MGPUTAFESA-N 399.240 4.397 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)nc1OC)CC2=O 587475882 QQMRDMQPXXZBHK-IBGZPJMESA-N 382.460 4.055 0 1 GIAF Cc1cc2c(cc1F)[C@@H](c1ccc(S(=O)(=O)CC3CCCC3)cc1)NCC2 962090194 HARDBASWHVEASF-JOCHJYFZSA-N 387.520 4.333 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2[nH]c3ccccc3c2Cl)N1 963239625 XRDGNJYRPRISGP-IEBWSBKVSA-N 377.831 4.058 0 1 GIAF COc1cccc2cc3c(nc12)[C@H](Cc1c(Cl)nc(C)nc1Cl)NCC3 963051380 FFCBZLVMYOYNIS-AWEZNQCLSA-N 389.286 4.078 0 1 GIAF CCN(CCNC(=O)Nc1ccccc1Br)c1ccc(C)cc1 14973944 VLVGQHWNCOHWAP-UHFFFAOYSA-N 376.298 4.406 0 1 GIAF Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C1(C)C 1857642436 ZEMGFPMQOJSMIA-RTWAWAEBSA-N 377.463 4.376 0 1 GIAF Cc1nc(C=C[C@@H]2CC=CCCC[C@H](C)C(=O)[C@@H](C)[C@H](O)CC(=O)O2)cs1 2356336844 OAXHQZGPHDPLOS-STEAMIEHSA-N 391.533 4.099 0 1 GIAF CCn1c(C(=O)NCC2(CO)CCCC2)nc2c(-c3ccccc3)cccc21 103258727 NLCGCOGDJHLNFD-UHFFFAOYSA-N 377.488 4.006 0 1 GIAF COc1cc2nc(Nc3c(C)cccc3Cl)c3cnc(CO)n3c2cc1OC 26568612 XULKLHXWPSHHTF-UHFFFAOYSA-N 398.850 4.097 0 1 GIAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356810704 BASPEALOGWANGT-MVSZQRDJSA-N 392.580 4.478 0 1 GIAF CN(C)c1ccc(-c2nnc3c4ccccc4c(N4CCCC4)nn23)c(Cl)c1 34216070 DPXSJUBFEOTLHI-UHFFFAOYSA-N 392.894 4.264 0 1 GIAF COc1ccc2cc(-c3n[nH]c4ccc(-c5nc(CN(C)C)n[nH]5)cc34)ccc2c1 34635823 NNCWHNAPEGGXIG-UHFFFAOYSA-N 398.470 4.238 0 1 GIAF COc1cc(CN(C)Cc2coc(-c3cccc(F)c3)n2)cc(OC)c1OC 72183641 MDGVQLPQZMVMLW-UHFFFAOYSA-N 386.423 4.139 0 1 GIAF CCNC(=O)c1cc(-c2sc(-c3cccnc3)nc2-c2ccccc2)n[nH]1 49050024 HBFJVICIUVNZPP-UHFFFAOYSA-N 375.457 4.012 0 1 GIAF CC[C@H](C)NC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccc(F)cc1 82140595 ZFAUSZBAXZNPEB-ZDUSSCGKSA-N 382.439 4.325 0 1 GIAF O=C1N(Cc2cc3ccccc3s2)C[C@@H]2CN(Cc3ccsc3)CCN12 45372037 FUFYDOFZRWWSBZ-KRWDZBQOSA-N 383.542 4.085 0 1 GIAF CN(Cc1ccc(F)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 40393521 XHEVWFBOOGHGSO-GOSISDBHSA-N 389.858 4.134 0 1 GIAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@H](OC(=O)c2ccccc2)CC1 261173963 UJRZVCXNABEDEE-GKXISKAGSA-N 396.531 4.423 0 1 GIAF CCn1ncc([C@@]2(C(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587583148 TWURWLIDTQCCBI-NFBKMPQASA-N 392.455 4.430 0 1 GIAF COc1ccc(Br)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587378980 YIYLWHDZUTUGCO-SFHVURJKSA-N 376.250 4.229 0 1 GIAF CN(C)c1ccc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508231 AEQMQNWHHAQGQH-DEOSSOPVSA-N 392.499 4.384 0 1 GIAF COc1ccc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2n1 586981473 PRQCRAWNKHSJCP-UHFFFAOYSA-N 383.249 4.495 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(C)c3ccccc32)N1 587771130 VRMZBBBCCFYKQX-BUXKBTBVSA-N 375.285 4.206 0 1 GIAF COc1ccc2c(c1)OCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607118 GDTVOEPJLPBKDW-OFNKIYASSA-N 390.391 4.040 0 1 GIAF O=C(c1c[nH]c2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661068 LXKDYYVGNHVEEE-UHFFFAOYSA-N 383.382 4.372 0 1 GIAF O=C(COc1ccccc1-c1nc2cncc(Cl)c2[nH]1)Nc1ccccc1F 587154854 TWUGCRMQMXQVCR-UHFFFAOYSA-N 396.809 4.435 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992117 NWVOFVZGEZKBMQ-MLGOLLRUSA-N 387.435 4.381 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(F)c1Br)[C@@H](C2)C3=O 587424694 SHGGXYKATAVIDW-SGTLLEGYSA-N 377.209 4.260 0 1 GIAF CCOC(=O)C[C@]1(C2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587793412 DYRYCFPIBKSJAE-CWTRNNRKSA-N 398.316 4.461 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)CC2=O 587474518 FTGDEBGBZUHRQY-RCDICMHDSA-N 389.492 4.468 0 1 GIAF Brc1nc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(C2CC2)s1 587012835 KYOIJMZWAKRQMV-UHFFFAOYSA-N 392.278 4.488 0 1 GIAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@]3(Cc4cccc5cccc3c45)N12 962632631 GULVHQWAGFAUCH-UIOOFZCWSA-N 394.474 4.286 0 1 GIAF CC(C)COc1ccc([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962729678 JFJUPTDETVOIBY-OALUTQOASA-N 377.406 4.457 0 1 GIAF Cc1ncc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCCCC2)cn1 1772649794 CTBPIVWIDXCSFF-QGZVFWFLSA-N 393.318 4.049 0 1 GIAF O=C([C@@H]1C2CCC(CC2)N1C(=O)CCCC=C(C1CC1)C1CC1)N1CCCC1 13756434 ZAWCYFXSMULAPC-XPJNUEMQSA-N 384.564 4.295 0 1 GIAF COC[C@@H]1C(=O)O[C@H]2C/C(C)=C/C/C=C(\C(=O)OC)CC/C=C(\C)CC[C@@H]21 14445709 BNSYBIBYECIBTQ-XMGFYUGLSA-N 376.493 4.137 0 1 GIAF Clc1ccc(C2(c3ccc(-c4ncnc5nc[nH]c45)cc3)CCNCC2)cc1 14961053 HPWBHQIUIBFTQC-UHFFFAOYSA-N 389.890 4.343 0 1 GIAF in-vivo O=C(c1ccc(F)c(Cl)c1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205220099 VWBQQIFPBSGJLB-BONVTDFDSA-N 397.208 4.147 0 3 GIAF O=c1c(-c2ccc(O)cc2)c(O)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12 1857596183 RSPOBTIHMPIJDT-UHFFFAOYSA-N 395.418 4.435 0 1 GIAF COc1cc2occ(-c3ccc(CN4CCCCC4)cc3)c(=O)c2cc1OC 1857657052 SJPMKCPGKRWOAG-UHFFFAOYSA-N 379.456 4.463 0 1 GIAF O=C(NC1CCCC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2 3042078 OQTFFJFAAAGYHE-UHFFFAOYSA-N 384.476 4.137 0 1 GIAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NCCOc1ccccc1 4216071 YZXCGOVUBVTJMN-NHCUHLMSSA-N 384.476 4.489 0 1 GIAF CC(C)CCNC(=O)c1cn(C2CCCC2)c(=O)c2c1c1ccccc1n2C 4904650 XMCCHAGLDXXMNO-UHFFFAOYSA-N 379.504 4.384 0 1 GIAF COc1ccc(C(=O)N(C)CCCNc2ccnc3cc(Cl)ccc23)cc1 35190702 KCIFCAMVQFSDRY-UHFFFAOYSA-N 383.879 4.471 0 1 GIAF COCCn1c(-c2ccc(C)o2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188379 YEOKSSVUPBBLHQ-OAHLLOKOSA-N 391.475 4.257 0 1 GIAF O=C(O)Cn1c(SCc2ccccc2Br)nc2ccccc21 84652907 MCCAKIQLOZTVJW-UHFFFAOYSA-N 377.263 4.176 0 1 GIAF CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 87666870 IDNSINQXOXDMHW-UHFFFAOYSA-N 389.499 4.470 0 1 GIAF CN(C)C(=O)O[C@@H](c1cnccc1C(F)(F)F)c1ccnc2ccccc12 103189006 DXORFRHBGRXCFR-QGZVFWFLSA-N 375.350 4.436 0 1 GIAF CCOC(=O)C1=C(C)N=C2CCCC(O)=C2[C@@H]1c1coc2ccccc2c1=O 103351611 JVPYKGBIYYDDQG-LJQANCHMSA-N 379.412 4.164 0 1 GIAF Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(C(=O)O)CC3)cc12 114711726 NJDOLTATPJIJRP-UHFFFAOYSA-N 389.521 4.285 0 1 GIAF COc1ccc(C(=O)Nc2ccc(-c3cccnc3)cc2F)c(OC)c1OC 299835860 YUKAHJKGUHIFIQ-UHFFFAOYSA-N 382.391 4.166 0 1 GIAF O=C(O)c1cc(Br)cc2[nH]c([C@H]3Cc4ccccc4S3)nc12 319470029 QGXNVNWOSBVXOA-CYBMUJFWSA-N 375.247 4.413 0 1 GIAF O=S(=O)(Cc1ccccc1-c1nc2cncc(Cl)c2[nH]1)c1ccccc1 586922070 PWKLPLHADCBWGV-UHFFFAOYSA-N 383.860 4.252 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 586939046 XXKYMCXZARNHRH-VIFPVBQESA-N 399.303 4.009 0 1 GIAF COC(=O)c1ccc2nc(-c3ccc(OC)cc3C(F)(F)F)[nH]c2c1OC 587098013 OLZXIINGKIQUPB-UHFFFAOYSA-N 380.322 4.053 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(Cl)c(F)c1)O2 587382328 PVSDBCFCMFTBPO-LJQANCHMSA-N 377.799 4.095 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)[nH]c(-c3ccco3)nc1=S)O2 587409638 IUACYDCZCNBYPL-HXUWFJFHSA-N 381.457 4.479 0 1 GIAF CCc1nn(C)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552034 MLJPDOMEHMXOKR-LPHOPBHVSA-N 384.819 4.044 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCN2C(=O)OC(C)(C)C)N1 587759854 HRKKSSJPKVNJQI-AKWBHNSASA-N 399.304 4.173 0 1 GIAF Cc1ccc2nc(C)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 587771033 BDOPAUINUSJXDX-ZMZPIMSZSA-N 388.284 4.476 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccc(O)c3n2)N1 587779818 WKUOAGLFMBQELI-OVWNDWIMSA-N 387.252 4.466 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C)cc(OC)n1 587860594 YPOFIGCDOFBGAW-UHFFFAOYSA-N 379.247 4.352 0 1 GIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(-n5cccn5)c(F)cc4[nH]1)(C3)C2 587949874 DTFONFLIFBLLNI-BXBLUCELSA-N 394.450 4.041 0 1 GIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](Cc2ccccc2Cl)N1 962690431 AGWHQNMRXOIQGX-CVEARBPZSA-N 387.760 4.381 0 1 GIAF CC(C)COc1ccc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962729680 JFJUPTDETVOIBY-RTBURBONSA-N 377.406 4.457 0 1 GIAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc(S(C)(=O)=O)c(OC)c1 963234007 DTQJHIGDXTXFJS-OPAMFIHVSA-N 387.545 4.019 0 1 GIAF Cn1nccc1-c1cc(NCc2ccccc2)c2nnn(-c3cccc(O)c3)c2c1 1857576933 XWUBALPEECWQOO-UHFFFAOYSA-N 396.454 4.139 0 1 GIAF CN(C)C(=O)c1cccc(-c2cn3c(-c4ccc5c(ccn5C)c4)cnc3cn2)c1 1857584252 NUADCVPNYOCWRH-UHFFFAOYSA-N 395.466 4.257 0 1 GIAF COc1cc2c(cc1O)[C@@H](CC(C)=O)N(C)c1c-2ccc2cc3c(cc12)OCO3 2356532291 IQHRTYFNMIQPGB-GOSISDBHSA-N 391.423 4.420 0 1 GIAF CN(CC[C@@H]1CN(C(=O)C2CCCCC2)CC[C@H]1CC(=O)O)c1ccccc1 2356832794 IDJQPXGWCZFISJ-VQTJNVASSA-N 386.536 4.033 0 1 GIAF Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 627321 BMNCVISEUQFTER-SJORKVTESA-N 380.444 4.077 0 1 GIAF OC1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)CC1 1341245 XHZHLECUMQFCMX-UHFFFAOYSA-N 388.446 4.164 0 3 GIAF COCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3)o2)C[C@@H]1C(C)C 2356302436 VKTJFSUJROMQIP-PCCBWWKXSA-N 383.536 4.370 0 1 GIAF CCCc1nc2c(C)ccnc2n1Cc1ccc(O[C@H](CCC)C(=O)O)cc1 29337455 OCRZHCYMFUQPSM-GOSISDBHSA-N 381.476 4.373 0 1 GIAF Cc1oc(-c2ccc(Cl)cc2)nc1CCCC[C@H]1CO[C@@](C)(C(=O)O)OC1 101160871 YVZGBQZOQTXCAU-OYOVHJISSA-N 393.867 4.480 0 1 GIAF COC(=O)CC(C)(C)C(=O)[C@@H]1CC[C@@H]2C1=CC[C@H]1c3ccc(N)cc3CC[C@H]21 2356482521 OGTSVFPURVFERY-VNYTWHDVSA-N 381.516 4.430 0 1 GIAF COCCSc1ccc(C[C@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 45320617 POZWNJMOJKSPRM-YWZLYKJASA-N 379.953 4.333 0 1 GIAF COc1ccc(C(=O)c2c[nH]c3c(OC)c(OC)c(OC)cc23)cc1Cl 95592717 OJPWBYVFWNQFMJ-UHFFFAOYSA-N 375.808 4.087 0 1 GIAF O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCSC[C@@H]3[C@H]2C(=O)N1c1ccccc1 254077170 LXYBVCDNTFPEED-NVRFMJDISA-N 388.492 4.291 0 1 GIAF C[C@H]1c2ccccc2C(=O)N1c1ccc(NC(=O)c2ncccc2N)cc1Cl 653845109 QBPZOMXQDOXIOW-LBPRGKRZSA-N 392.846 4.291 0 1 GIAF CCOC(=O)C[C@@]1(CC2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597700 RNDWVKOYOBUSIH-NFBKMPQASA-N 396.439 4.236 0 1 GIAF Clc1cnc2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 586998414 IZYAUHHZZLUCIC-UPHRSURJSA-N 378.613 4.273 0 1 GIAF O=c1c2cc(Cl)ccc2cnn1C(=S)Nc1ccccc1C(F)(F)F 587652068 VIWFSGPSGIRPLJ-UHFFFAOYSA-N 383.782 4.314 0 1 GIAF FC(Br)(Br)c1nc2c(Cl)cnc(Cl)c2[nH]1 587087558 DMSQQFUSHUYENC-UHFFFAOYSA-N 377.826 4.134 0 1 GIAF C[C@](O)(C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607316 HWVHICKUEIBMAY-WSRPGDSVSA-N 394.467 4.300 0 1 GIAF O=c1cccc(-c2nc3cc(F)ccc3[nH]2)n1CCOc1ccccc1Cl 587064315 POWZKDGSJYSAAK-UHFFFAOYSA-N 383.810 4.263 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(F)cc1F)CC2=O 587468506 XJSLBOPNKMXNSS-OAQYLSRUSA-N 390.382 4.348 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Br)n1 587549828 YLJATDBLIZVZAC-LPHOPBHVSA-N 398.212 4.253 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]c3nccc-3cc2F)N1 587728861 UCHZVDHUKRLZLC-GLEZIHRCSA-N 378.220 4.179 0 1 GIAF C[C@@H](Oc1ccc(F)cc1)c1nc2cccc(I)c2[nH]1 587168021 CYRCZYSSJNUQMS-SECBINFHSA-N 382.176 4.447 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-c2ncon2)cc1 587587406 GOAUCHNZDLERLY-WIYYLYMNSA-N 386.363 4.145 0 1 GIAF CCOC(=O)[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587526976 SMHQQJSACAUYAE-XMMPIXPASA-N 389.451 4.471 0 1 GIAF COc1cc2c(cc1OC)[C@](C)(c1occc1Br)N(C)[C@@H](C)C2 962620444 HWQWUBVCPDDFJV-BBATYDOGSA-N 380.282 4.199 0 1 GIAF COC(=O)CC[C@]1(c2ccc(OC)cc2)NCCc2c(Cl)cc(Cl)cc21 963113042 UMMYTBYHEMRBQF-HXUWFJFHSA-N 394.298 4.345 0 1 GIAF Cc1cc(C)c(-n2cccn2)c([C@@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962730075 LPDPDOHCQFWCNA-RBUKOAKNSA-N 399.416 4.224 0 1 GIAF Cc1ccnc2c1CCN[C@]2(c1c(F)cccc1Br)C(F)(F)F 963067834 APCPROVKHHSTNL-HNNXBMFYSA-N 389.190 4.243 0 1 GIAF COc1cc2c(cc1OC)[C@@H](C1CCN(c3cccc(C)n3)CC1)N(C)[C@@H](C)C2 962628233 LQDKBVCDDMSOEI-BXKMTCNYSA-N 395.547 4.241 0 1 GIAF Brc1ccc2c(c1)[C@H](c1ccnc(Br)c1)NC1(CC1)C2 961746001 CCSZRVZSLFIUGC-HNNXBMFYSA-N 394.110 4.374 0 1 GIAF C[C@@H]1[C@@H](c2ccccc2O)c2cc3c(cc2O[C@H]1NNc1ccccc1)OCO3 16958624 BBXMIJIOSXULBG-JRVVOHRXSA-N 390.439 4.224 0 1 GIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc2c(c1)CCCN2 167049756 CNZJIRFXWPIYAV-LJQANCHMSA-N 380.488 4.316 0 1 GIAF CC1=C(C(=O)O[C@@H](C)C(F)(F)F)[C@@H](c2ccoc2)N2C(=N1)Nc1ccccc12 1857607480 USGGIXUYELPVSJ-MEDUHNTESA-N 391.349 4.390 0 1 GIAF C[C@@H](C(=O)Nc1ccc2c(c1)COC2=O)c1ccc(C(=O)c2ccccc2)cc1 1857640773 DLYYFLSJYVOBAM-OAHLLOKOSA-N 385.419 4.330 0 1 GIAF O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773340 NUZOAKRRZBPTBJ-ZWKOTPCHSA-N 380.419 4.181 0 1 GIAF C[C@@]12C[C@H](NC(=O)N1c1ccccc1F)c1cc(Br)ccc1O2 2498604 ICGSIBIWMNFGKA-SUMWQHHRSA-N 377.213 4.358 0 1 GIAF Cc1ccc(CNC(=O)[C@H]2CCCN(c3nc4ccccc4n4cccc34)C2)cc1 6782627 FIYGXSDDSFXERH-FQEVSTJZSA-N 398.510 4.329 0 1 GIAF CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CCN1CCCC1 7991824 KTXGCPLYSXQQGT-UHFFFAOYSA-N 378.524 4.110 0 1 GIAF O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC1CCCCC1 27189442 FURCQFVZVJNZAB-HDJSHQJTSA-N 389.495 4.291 0 1 GIAF CC1CCC(NC(=O)[C@]2(C)Cc3ccccc3C(=O)N2C2CCCCC2)CC1 20387595 SLDAKEJPTZONTE-FJDUUPPCSA-N 382.548 4.471 0 1 GIAF COc1cccc(CN(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2)c1 101152054 CCSZSHPNZBSEMO-PMACEKPBSA-N 380.488 4.464 0 1 GIAF Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N[C@H](C)/C(F)=C/CCCc1ccccc1 26388834 GCMXFAGNVBGNHO-JENYOXNISA-N 398.522 4.260 0 1 GIAF O=C(O)c1cn(C2CC2)c2c(F)c(CNc3ccc(F)cc3)c(F)cc2c1=O 27311287 MDQLQUBEMZUHOM-UHFFFAOYSA-N 388.345 4.064 0 1 GIAF CN(C)CCn1cc2c(n1)N(C)c1ccc(Cl)cc1N(c1ccccc1)C2=O 66252838 KQKFPMCHVHBOJI-UHFFFAOYSA-N 395.894 4.158 0 1 GIAF CC(C)(CCCN1CCC[C@H](C(F)(F)F)C1)S(=O)(=O)c1ccccc1 28571554 DPCAHAOUMBAXKR-HNNXBMFYSA-N 377.472 4.293 0 1 GIAF CC1=C[C@H](CNC(=O)c2cccnc2)[C@H](C(C)C)C[C@@H]1CC(=O)NC1CCCC1 2356745918 DWQWUJJSBZGDQV-SJBKTWHCSA-N 397.563 4.115 0 1 GIAF CCCCN(C(=O)CCC)[C@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356860184 UCNDSQVWNHBDBV-QHCPKHFHSA-N 396.531 4.482 0 1 GIAF O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccncc1 137865674 IBXQASRNSVVFOE-BJESRGMDSA-N 380.447 4.325 0 1 GIAF O=C(C[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1 84632455 DSVISRDBBLQUBI-DNQXCXABSA-N 399.490 4.131 0 1 GIAF O=C1c2ccccc2-n2nnc(-c3ccccc3)c2[C@H]2c3ccccc3CCN12 95604084 GHHLNCJUPACTPR-JOCHJYFZSA-N 378.435 4.036 0 3 GIAF COC(=O)C[C@H](C)CC[C@H]1C(COC(C)=O)=CC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C 238760005 KJGJWCMSMYHAKT-DJIOSBNXSA-N 394.552 4.279 0 1 GIAF COc1cc(OC)c([C@H]2COc3c(ccc4c3CCC(C)(C)O4)C2=O)cc1OC 95486054 YWJBVFLXWBJTKS-MRXNPFEDSA-N 398.455 4.175 0 1 GIAF biogenic,in-vitro O=C(O)C[C@@H]1CCCCN1c1nc(NCc2ccc(F)cc2)c2ccccc2n1 299820386 BDQVWOPGFIJKTN-KRWDZBQOSA-N 394.450 4.215 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3nc(Cl)ccc32)N1 587706702 RVWSQAWRPYUZGA-VVVCHXIZSA-N 381.676 4.361 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](CCc1cccc(C3OCCO3)c1)CC2=O 587493761 VSBUCLQFFJRQFP-KRWDZBQOSA-N 382.456 4.357 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nc(-c2ccc(C)cc2)no1 587870655 OWJMVCHFEONVEL-UHFFFAOYSA-N 392.390 4.135 0 1 GIAF Cc1cc(-c2nc3ncncc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587061094 JKOHSSYAHOFSHU-UHFFFAOYSA-N 389.850 4.083 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncc(-c2ccccc2)[nH]1 587590648 SXGKZWKOTIBHGW-SIKLNZKXSA-N 384.391 4.485 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@]1(C)CC[C@H]2C1(C)C 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CNC(=O)c1cccc(-c2cccc(Cc3nc4c(Cl)ccnc4[nH]3)c2)c1 587231695 FDBRVTWTLBNUTD-UHFFFAOYSA-N 376.847 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(c3ccccc3)C2)N1 587770745 TWTDIZRXDYBADJ-ORAYPTAESA-N 375.285 4.228 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3c2cnn3C)N1 587755880 BDMGHZYZAOVAIB-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ncccn1 587587581 OPASQHQNWIRLJU-RDPSFJRHSA-N 396.402 4.088 0 1 GIAF Cc1ccccc1OCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661381 YKSDUHQSKSHPSX-UHFFFAOYSA-N 388.398 4.230 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)OCCCO3)N1 587833307 FTGAUPSLTWKILE-JEOXALJRSA-N 392.268 4.373 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CCCCN1C(=O)OCc1ccccc1)O2 587396615 USJFVMDGQOLVLI-FPOVZHCZSA-N 394.471 4.102 0 1 GIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)C(C)(C)C 587207054 ZWYSCLMDTYFMBK-GFCCVEGCSA-N 386.418 4.459 0 1 GIAF COC(=O)c1c(C2CC(F)(F)C2)[nH]c2c1c(Br)cc1n[nH]cc12 587622966 VRJHNKQAIPUPAF-UHFFFAOYSA-N 384.180 4.106 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCN([C@H](C)c4ccccc4)[C@@H](C)C1)[C@@H](C2)C3=O 587436304 PQYJUWACYFCCEB-ZFLJKGDWSA-N 377.484 4.427 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)c(Br)c1F)[C@@H](C2)C3=O 587422272 CREIDIKXBNEPCB-VOJFVSQTSA-N 395.199 4.399 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cnc3ccccc3c2Cl)N1 963238472 ZDXZVCGDFPIYDJ-TZIWHRDSSA-N 389.842 4.125 0 1 GIAF OC1(c2cn(CCCNc3ccnc4cc(Cl)ccc34)nn2)CCCCC1 199099305 FAZFIHSKDOXUJU-UHFFFAOYSA-N 385.899 4.134 0 1 GIAF Clc1ccccc1CN1CCc2nc(Nc3ccc4c(c3)OCO4)ncc2C1 15779166 VULFPRDJSLUKRC-UHFFFAOYSA-N 394.862 4.161 0 1 GIAF C[C@@H](c1cccc2cnccc12)N1CCC(C(=O)NCc2cccc(F)c2)CC1 169312127 OJJUBNLUESFDRE-KRWDZBQOSA-N 391.490 4.463 0 1 GIAF O=c1cc(-c2cnn(Cc3ccc(OC(F)(F)F)cc3)c2)[nH]c2ccccc12 146346904 FWOPLJJBIVIYAH-UHFFFAOYSA-N 385.345 4.339 0 1 GIAF C[C@]12C[C@H](NC(=O)N1c1ccc(F)cc1)c1cc(Br)ccc1O2 2498619 SVXUDUAQUJQQKY-YOEHRIQHSA-N 377.213 4.358 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@H]4[C@@H]3CC[C@@H]12 3782601 RIGMJQYSJWLGJZ-GXESYUSNSA-N 386.580 4.157 0 1 GIAF CCN(CC)C(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 13681940 VGGFHJKLCAAIOU-VTCXYMOVSA-N 385.548 4.094 0 1 GIAF O=C1NCCN1CCN1CCC[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)C1 13862734 XTOXNGQJKCDLHX-IBGZPJMESA-N 388.515 4.040 0 1 GIAF CS(=O)(=O)c1ccc(-c2c(-c3ccc(F)cc3)csc2CC(=O)O)cc1 28012040 XCNOLPZPOYQZHV-UHFFFAOYSA-N 390.457 4.252 0 1 GIAF CSc1ccc(OCc2ccccc2)c(C(=O)Nc2ccc(C(=O)O)cn2)c1 28523240 SGVBMRQPHGWPCB-UHFFFAOYSA-N 394.452 4.333 0 1 GIAF Fc1ccc2[nH]cc(CCCN[C@@H]3COc4ccc5ncccc5c4C3)c2c1 28821544 SUYYHJRBIBNGLJ-KRWDZBQOSA-N 375.447 4.381 0 1 GIAF Oc1ccc2c(c1Cl)CN(C(=S)NCCc1ccc(Cl)cc1)CC2 29123105 UXUYVNIWHFRNKS-UHFFFAOYSA-N 381.328 4.174 0 1 GIAF CC(C)(C)[C@H](C(=O)Nc1ncc(N2CCOCC2)s1)c1ccc(Cl)cc1 45385222 RMKYWYVUNRDOEM-INIZCTEOSA-N 393.940 4.402 0 1 GIAF CC(C)Cc1sc(N)nc1-c1ccc([P@@](=O)(O)Oc2ccccc2)o1 66111726 HKVGLUWLPAKINX-UHFFFAOYSA-N 378.390 4.074 0 1 GIAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1C[C@H](F)CN1C(=O)c1cnccn1 72176627 MBZPPLOZGLHLMF-OXJNMPFZSA-N 396.853 4.426 0 1 GIAF COc1ccccc1CCNc1ncc(-c2ncc(C)o2)c(-c2ccco2)n1 82166311 QZPDTHCVQIYOTD-UHFFFAOYSA-N 376.416 4.363 0 1 GIAF COc1ccc([C@]2(C)Cc3cc(OCC(=O)O)c(Cl)c(Cl)c3C2=O)cc1 138765517 IMDWDKBQGAZAJS-IBGZPJMESA-N 395.238 4.162 0 1 GIAF Cn1ccc(-c2ccc(CNC(=O)c3c(Cl)cccc3Cl)cc2)cc1=O 147210236 SNIYXAMBBPVCFT-UHFFFAOYSA-N 387.266 4.289 0 1 GIAF O=C(O)CCC/C=C/C[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1CCNC(=O)Nc1ccccc1 169325745 QDCBWGKZRZYILC-LYUJPSGTSA-N 386.492 4.193 0 1 GIAF CC(C)C[C@H](Nc1cccc(O)c1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1 202050796 FTMBNJPJFUAMIW-KRWDZBQOSA-N 395.488 4.344 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3c(OC)cc(OC)c(/C=C\C(C)(C)O)c3O2)cc1 238763986 QMJNQPPYYVEJAY-LENZSSGSSA-N 398.455 4.203 0 1 GIAF COC(=O)CCCCCCC[C@@H](O)[C@@H](CCCCCCCC(=O)OC)OC 238780752 BJCDRXBSMHOVFY-RTBURBONSA-N 388.545 4.170 0 1 GIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2cccc(F)c2C)n1 261101228 GJELIUXFGVJZPW-NRFANRHFSA-N 392.430 4.450 0 1 GIAF O=C(O)/C=C\c1ccccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 586880716 BEBUYRYOPPHWDC-WAYWQWQTSA-N 378.613 4.139 0 1 GIAF O=C(O)c1cc(Br)cc2nc(/C=C/c3ccc(F)cc3F)[nH]c12 587151424 ZLCMIKSFIXVRRH-DUXPYHPUSA-N 379.160 4.472 0 1 GIAF Cc1nc(O)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336162 JHUGVDYYEJLHGI-RBBKRZOGSA-N 379.387 4.215 0 1 GIAF CO[C@@H]1[C@H](C)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C12CCC2 587353771 MHCSZFOUSLWTMB-DSDSEKLFSA-N 382.431 4.464 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(=O)OC(C)(C)C)cc1)[C@@H](C2)C3=O 587442427 WRARPEOMEXYYHO-OXJNMPFZSA-N 382.412 4.498 0 1 GIAF CC/C=C/C[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443905 QNUFJODRXFDIBI-VJLIRVSOSA-N 384.472 4.127 0 1 GIAF COc1cc2c3c(c1)O[C@](c1cccs1)([C@H](O)c1cccs1)[C@@H](C2)C3=O 587448704 BOPJYIZGUDOZKO-CJMONDIMSA-N 384.478 4.195 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cc(F)ccc1F)CC2=O 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COCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587806574 KAHRHXVIIMGTBT-BBATYDOGSA-N 380.257 4.195 0 1 GIAF COc1ccc2c(c1)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587808959 OYTPPIOWWXZPPV-NSPYISDASA-N 376.269 4.321 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C(=O)O)(c2ccccc2)N1 587820519 AGFSVCHPYPQMNQ-GIPFXMNKSA-N 390.252 4.007 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCN(C)C)(c2cccs2)N1 587850581 ZYRKHSFGPIHFOV-KZULUSFZSA-N 397.357 4.379 0 1 GIAF Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874327 VGJFFFSNNOFPER-SECBINFHSA-N 380.301 4.220 0 1 GIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(F)c(Br)c3[nH]2)cc1 587936435 LHCDYBZKDWQXDL-ABKXIKBNSA-N 379.229 4.310 0 1 GIAF COc1ccc(-c2c[nH]nc2[C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962616512 AERZDXGNRPOPRC-RCDICMHDSA-N 393.487 4.068 0 1 GIAF Cc1ccncc1[C@@]1(c2cccc(Cl)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962920868 MUHVIYHJTDEDIF-SIKLNZKXSA-N 396.849 4.073 0 1 GIAF CCc1cccnc1[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963206923 ZRDSDQNMJVGTIK-SCLBCKFNSA-N 398.812 4.179 0 1 GIAF O=C(c1cccc(F)c1)N1CCC(F)(F)[C@H](Oc2ccc3ccccc3n2)C1 1772589771 RVICREDFQQJBFY-GOSISDBHSA-N 386.373 4.303 0 1 GIAF COc1cc(C(=O)c2cncc(-c3ccc(C)c(O)c3)c2)cc(OC)c1OC 1857607869 QIIFEOYSKKDKKZ-UHFFFAOYSA-N 379.412 4.019 0 1 GIAF C[C@@]12C[C@H]3C[C@@](C(=O)NC4CC5(CC(N)C5)C4)(C1)C[C@@](c1ccccc1)(C3)C2 1911572866 YNCVBLDQRSIDKT-YDLBWQIYSA-N 378.560 4.301 0 1 GIAF CC[C@H](C)C(=O)c1c(O)c(C)c(O)c2c1O[C@@](C)(CCC=C(C)C)[C@H](O)C2 2356552793 CNFWCPMUKRVISB-IATAILRESA-N 376.493 4.436 0 1 GIAF CCCCC(=O)N(Cc1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccnc1 2356863068 UPKALZKYVMZTMA-QFIPXVFZSA-N 397.519 4.384 0 1 GIAF CC(=O)c1cccc(NC(=O)N2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)c1 11998037 YFQRYFJWUGNBAK-HNNXBMFYSA-N 386.398 4.294 0 3 GIAF O=C1NC(=O)c2cc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)ccc21 4263877 LWQRKJRRBJIBQX-UHFFFAOYSA-N 399.431 4.099 0 1 GIAF Cc1ccc2c(=O)n3c(nc2c1)[C@@H](CC(C)C)NC(=O)c1ccc(Cl)cc1-3 61949373 BJYRGJDNOILFHE-QGZVFWFLSA-N 381.863 4.178 0 3 GIAF COc1ccccc1N1CCN(CCCCNc2ccc3ccccc3n2)CC1 29135576 SVLOMAHKFFJJIC-UHFFFAOYSA-N 390.531 4.258 0 1 GIAF CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(Cl)cc1)C2 28105152 ZCXLVQYDLLUFKR-SQUIKTEWSA-N 399.918 4.499 0 1 GIAF O=C(O)[C@@H]1CCCN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64448826 GJQONOYIKURBSD-RQTOMXEWSA-N 375.512 4.420 0 1 GIAF COC(=O)[C@@]1(C)[C@H]2CC(=O)c3cc4[nH]c5ccccc5c4cc3[C@@]2(C)CC[C@H]1O 2356447273 YSJQFTPGPPBWEH-SCDRESIJSA-N 391.467 4.115 0 1 GIAF COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(CC=C(C)C)c3O[C@H]1CO2 2356675170 JPCIZGFTOQPFOD-AOMKIAJQSA-N 382.456 4.398 0 1 GIAF Cc1[nH]c(C)c(-c2ccc(-c3ccc4c(c3)OCO4)nc2)c(=O)c1Br 36474794 KARYMVSYJXFUNC-UHFFFAOYSA-N 399.244 4.212 0 1 GIAF O=C1c2ccccc2C(=O)N1CCCCN1[C@H]2CC[C@@H]1Cc1[nH]c3ccccc3c12 36093045 ZFVCOZSVRXMIIP-ZHRRBRCNSA-N 399.494 4.306 0 1 GIAF COc1ccc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)cc1 218389664 IGUFQYBODOEHLI-QHCPKHFHSA-N 389.495 4.160 0 1 GIAF Cc1ccccc1/C=C1\CN(C)CC2=C1NC(=S)N[C@H]2c1ccccc1C 71333860 VCKGPSLFLGLOAS-JMOSNPTESA-N 375.541 4.105 0 1 GIAF Cc1cnc(NCCc2ccc(F)cc2)nc1NCCC(=O)Nc1ccccc1 45357448 VZQHUVWRKPZBIS-UHFFFAOYSA-N 393.466 4.019 0 1 GIAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)C1 82140788 OEMRIFYMRKKLQK-IRXDYDNUSA-N 396.510 4.391 0 1 GIAF Cc1cc(C)c(-c2csc(N(CC(=O)O)C(=O)c3ccccc3)n2)c(C)c1 40379583 QJUWBNGQSUWXFG-UHFFFAOYSA-N 380.469 4.467 0 1 GIAF Nc1c(C(=O)Nc2cccc(Br)c2)sc2nc3c(cc12)CCC3 197750870 IVOQVAUCNBIYOL-UHFFFAOYSA-N 388.290 4.382 0 1 GIAF COC[C@H]1CCCN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139133114 AVQGHOKXWZYGAQ-KRWDZBQOSA-N 391.475 4.270 0 1 GIAF COc1cc(C(=O)NCc2csc(-c3ccccc3)n2)ccc1-c1cn[nH]c1 221702303 IOWMDCFGYMFPDV-UHFFFAOYSA-N 390.468 4.139 0 1 GIAF Cc1c[nH]c2ncc(-c3cc([C@H]4CCN(C)C(=O)C4)n(C4CC(F)(F)C4)n3)cc12 146495183 NHHVQYGJZSGNMT-ZDUSSCGKSA-N 399.445 4.041 0 1 GIAF O=C(N[C@H]1CCC[C@@H](NC(=O)c2cccc(Cl)c2)C1)c1cccc(Cl)c1 95585969 HWGZRRMCVQFHPS-HDICACEKSA-N 391.298 4.464 0 1 GIAF COc1cc(-c2cc(=O)n3nc(-c4ccc(Cl)cc4)nc3[nH]2)ccc1Cl 143318752 OZYBZQPFUXUBMW-UHFFFAOYSA-N 387.226 4.067 0 1 GIAF Fc1ccc(-c2c(-c3ccc4[nH]ncc4c3)nnn2CC2CCOCC2)cc1 146762772 WWKXHAYLEYNBPR-UHFFFAOYSA-N 377.423 4.054 0 1 GIAF CC(=O)O[C@@H]1C/C(C)=C/CC[C@H](C)CC(=O)CC2=C[C@@H](OC2=O)[C@@H]1C(C)C 96915200 QWGSYRKRZRCPAG-COMGUSOZSA-N 376.493 4.158 0 1 GIAF O=C(c1ccc(-c2cccs2)cc1)N1CCN(C(=O)c2cccc(F)c2)CC1 473114002 LBBWEMZHJDSYTR-UHFFFAOYSA-N 394.471 4.152 0 1 GIAF Cc1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1C 586969585 NGDOKWGPTZZCFV-UHFFFAOYSA-N 380.429 4.251 0 1 GIAF CCC[C@H](C)OC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793349 NPRXEKIEIOMDRU-SOZUMNATSA-N 386.305 4.460 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(Cc3ccccc3)c1)CC2=O 587474366 CRHCQQGDFPZZPC-HSZRJFAPSA-N 376.456 4.470 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccccn2)(c2ccccn2)N1 587767449 ARTBJZDLOHUAFW-CYBMUJFWSA-N 398.279 4.204 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CCNC(=O)OC(C)(C)C)cc1)O2 587387352 PJSIDCPJSBLOKI-FQEVSTJZSA-N 396.487 4.351 0 1 GIAF O=C(O)c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587183253 WDLYHPLHSKOKBS-UHFFFAOYSA-N 398.587 4.186 0 1 GIAF COc1ccc(Cn2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587657281 TXKWIJCHZCKDFL-UHFFFAOYSA-N 378.378 4.399 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(C2(C)CC2)N1 587723000 UPRAKFMUBHNPNK-HUTHGQBESA-N 390.243 4.342 0 1 GIAF COC(=O)c1cccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587158699 KLCPMFBPLOYXQA-UHFFFAOYSA-N 386.386 4.495 0 1 GIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 587784479 HMEWGGPDRDMIGH-STQMWFEESA-N 389.224 4.408 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(C[C@H](N)c3cccc4ccccc34)nc2c1 587259607 XJOYTTDCJKJOHN-KRWDZBQOSA-N 379.847 4.399 0 1 GIAF COc1ccc(F)c(F)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559844 ZRZSDOWPXIVQCX-DYESRHJHSA-N 384.334 4.382 0 1 GIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Br)cc(C)c3[nH]2)cc1 587938653 YCKKCJCFKJHWEO-PIGZYNQJSA-N 375.266 4.480 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(C)CC(=O)C[C@@]3(C)C2)N1 587819221 UHHYPBPHWKZELL-YWCBWXAZSA-N 380.301 4.487 0 1 GIAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(O)nc(O)nc2[nH]1 587072748 WDYUICSRSKZFCY-TXCQAMFQSA-N 391.258 4.437 0 1 GIAF CC[C@@H](c1nc2cc(C)c(F)cc2[nH]1)n1cc(I)c(C)n1 587185809 ORAZHAYASVZOPT-AWEZNQCLSA-N 398.223 4.119 0 1 GIAF COc1cccc(C(=O)Cn2cnc3cc(-c4ccc(C)cc4)sc3c2=O)c1 958061061 HOEGYAJTXVQJLN-UHFFFAOYSA-N 390.464 4.325 0 1 GIAF COCCn1cnc2c1-c1ccc(OC)c(c1)OC/C=C\COc1cccc-2c1 13829238 WLMNHVYCQAHXMQ-ARJAWSKDSA-N 392.455 4.200 0 1 GIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-n2ccnc2)c1 166404644 LOCBGVIBPMVXJC-IBGZPJMESA-N 391.471 4.143 0 1 GIAF CN[C@H]1C[C@H]2c3[nH]c4c(-c5cccc(C)c5)cccc4c3CCN2C[C@H]1[C@H](C)O 203468694 ZWVBQQLXQVBPIE-KKPKCPPISA-N 389.543 4.031 0 3 GIAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccccc2)c1F 207193125 JZQJCFPNAGFNDZ-BLLLJJGKSA-N 376.859 4.015 0 1 GIAF CCCN1CCC(N(CCOC)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 1857757425 WMXSUWSORZZXFA-UHFFFAOYSA-N 387.446 4.060 0 1 GIAF CCc1c(C(=O)N[C@@H](CO)Cc2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12 1857761560 NKDOVTDNXAHICT-OAHLLOKOSA-N 391.298 4.371 0 1 GIAF O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1ccccc1 774929 LIEZNINCWXVADD-MSOLQXFVSA-N 380.419 4.181 0 1 GIAF Cc1cc2c3c(ccc4[nH]cc(c43)CN2c2ccc(NS(C)(=O)=O)cc2)n1 1863792 KHPQSSGQTNODDD-UHFFFAOYSA-N 378.457 4.048 0 1 GIAF CC[C@@H](C)n1c(SCC(=O)OCc2ccccc2)nc2ccsc2c1=O 2925298 AZNJQMFZSFGWMG-CYBMUJFWSA-N 388.514 4.265 0 1 GIAF COc1ccc(Br)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22938135 IWYYILZQWTZMBD-HKUYNNGSSA-N 375.310 4.041 0 1 GIAF Cc1nnc([S@@](=O)c2nc3cc(Cl)c(Cl)cc3nc2C(C)C)s1 28950921 ILPPTKOCXQWZDU-HSZRJFAPSA-N 387.317 4.387 0 1 GIAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@]1(COC(=O)O1)C3 2356664764 HRGBLXKHLLJXCT-GDDIOVTOSA-N 376.493 4.478 0 1 GIAF COC(=O)[C@@]1(C)[C@H]2CCc3cc4[nH]c5ccccc5c4cc3[C@@]2(C)CC[C@H]1O 2356712867 QGSPVLSFRSZVTG-SCDRESIJSA-N 377.484 4.475 0 1 GIAF NC(=O)[C@H](NC(=S)Nc1ccc(Cl)cc1)c1c(Cl)cccc1Cl 26376367 IEAYWMAICPUKDU-CYBMUJFWSA-N 388.707 4.160 0 1 GIAF FC(F)(F)c1cccc(-c2cc3nc(NCCCn4ccnc4)ccn3n2)c1 61905336 ZIESYXKSZBPCHK-UHFFFAOYSA-N 386.381 4.114 0 3 GIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(C(C)=O)cc3)cc2)C[C@H]2CC[C@@H]1N2C 34228949 QOGDDOWLBRAWFT-BXXSPATCSA-N 377.484 4.296 0 1 GIAF Cc1c(C(=O)NN2C(=O)CS[C@]23CCC[C@H](C)C3)[nH]c2ccc(Cl)cc12 1911577141 GNHIYXPZHXASQT-WLRWDXFRSA-N 391.924 4.256 0 1 GIAF O=C(Cc1ccccc1Cl)N1CCC(c2nc(-c3cccs3)no2)CC1 71319027 XVOJAQFJNQBRDW-UHFFFAOYSA-N 387.892 4.400 0 1 GIAF Cc1ccccc1-c1nc(N2CCC(O)CC2)ncc1-c1nc(C)c(C)s1 82177494 XVJGYMANYZOKOE-UHFFFAOYSA-N 380.517 4.153 0 1 GIAF CC(C)(C)OC(=O)C1CCN(c2ccc(C(=O)Nc3ccc(O)cc3)cc2)CC1 40915501 LJQQFELKPQWJQQ-UHFFFAOYSA-N 396.487 4.203 0 1 GIAF O=C(N[C@H](CO)c1ccc(Cl)cc1Cl)[C@@H]1CCCCc2ncsc21 220883273 VGQSTOOFAOPYQH-IUODEOHRSA-N 385.316 4.110 0 1 GIAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)C1 82152492 HHTKMTLPOQHACE-HZPDHXFCSA-N 382.483 4.001 0 1 GIAF CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccn4)cc3)nc2c1 95596960 DPKUOHAURWMUFA-UHFFFAOYSA-N 379.441 4.211 0 1 GIAF Cc1ccccc1NC[C@H](O)COc1ccc2c(c1)OC1(CCCC1)CC2=O 95588129 DUSBTELZGAFTNM-KRWDZBQOSA-N 381.472 4.125 0 1 GIAF Cn1cc([C@@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C2(C)C)cn1 586986576 CZFIGVIZYKOPDM-OAQYLSRUSA-N 381.435 4.308 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(N3CCOCC3)c1)CC2=O 587467863 SYLCNCMFYRQWCL-OAQYLSRUSA-N 385.435 4.027 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCNc3ccc(Br)cc31)O2 587371577 KYCMCUQBAGMCDN-LJQANCHMSA-N 387.277 4.406 0 1 GIAF Cc1ccc(-n2ccnc2SCc2nc3ccc(CCO)cc3[nH]2)c(C)c1 586966180 IUOWJQNQHGWQLL-UHFFFAOYSA-N 378.501 4.193 0 1 GIAF Cn1cc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2n1 587581793 MUGKWSLKHCIMIJ-XXBNENTESA-N 386.407 4.156 0 1 GIAF CCC[C@]1([C@H](C)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355265 XBBQCAFASMXKGX-OEVHLYDDSA-N 386.419 4.238 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3cc4c(cc3[nH]2)OCO4)[C@@H]1c1ccccc1Cl 587062621 YSQHBCPKIPSROP-BLVKFPJESA-N 383.835 4.022 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3nccs3)CC2)N1 587854215 QNRKAXKHMZDDLX-NSHDSACASA-N 396.329 4.075 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(F)F)([C@@H]2CCCCC2=O)N1 587721129 VXVXYMVYVHOKQW-BHOZQUNFSA-N 390.243 4.342 0 1 GIAF CC(C)OC(=O)C1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC(F)(F)C1 587130455 KEMROVDGIMZYIM-UHFFFAOYSA-N 380.288 4.339 0 1 GIAF N[C@H](COCc1ccccc1)c1ncc(-c2ccc(OC(F)(F)F)cc2)[nH]1 1772606612 UEKKKCYZHUSYAU-MRXNPFEDSA-N 377.366 4.192 0 1 GIAF COc1ccc(C(C)(C)C)cc1-c1cncc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772624787 QRAAMCGPCKJKEX-GOSISDBHSA-N 395.459 4.353 0 1 GIAF OCC1(CCc2ccccc2)CCN(Cc2cccn2-c2cccnc2)CC1 13637195 KSACWQKQWKGSAM-UHFFFAOYSA-N 375.516 4.080 0 3 GIAF CCN(CC)C(=O)/C=C(\C)c1ccc(OCc2ccccc2)c(OCC(=O)O)c1 13782701 PCEMFRKVINDCHQ-GHRIWEEISA-N 397.471 4.001 0 1 GIAF CCOc1ncccc1-c1nc2cc(-c3cnc(N)nc3)ccc2n1C(C)(C)C 169259374 DWCWSXDKJPOINU-UHFFFAOYSA-N 388.475 4.291 0 1 GIAF CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)N[C@H]1CCCC[C@H]1O 775615 OITOAASEOFPTFR-LSDHHAIUSA-N 394.874 4.465 0 1 GIAF O=C(NC1CCCCC1)[C@H](c1ccco1)N(Cc1ccco1)C(=O)c1ccco1 1341817 HEXMJJGHWGOAEY-FQEVSTJZSA-N 396.443 4.298 0 3 GIAF CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 4079747 DVAXTTZOVDLKQN-FYYLOGMGSA-N 387.483 4.086 0 1 GIAF OCCCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28469964 CUWDPXUBEXNWCF-UHFFFAOYSA-N 379.479 4.445 0 1 GIAF O=C(Nc1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1)[C@H]1CCOC1 28571307 DGTWHZKHMUDXOY-INIZCTEOSA-N 378.407 4.001 0 1 GIAF CC(C)=CCC/C(C)=C/CC(CC=C(C)C)(P(=O)(O)O)P(=O)(O)O 29123706 FNYHAYNWVHCDNF-XNTDXEJSSA-N 380.358 4.477 0 1 GIAF COc1c2c(cc3c1[C@@H]1Oc4cc5c(cc4[C@@H]1CO3)OCO5)OC(C)(C)CC2 14613183 QQYQFSONAPRYKI-YEJXKQKISA-N 382.412 4.137 0 1 GIAF biogenic CN(CCOc1ccc(F)cc1C(C)(C)C)C(=O)Nc1ccccc1C(=O)O 218611101 OAKYILGOKPISAD-UHFFFAOYSA-N 388.439 4.364 0 1 GIAF CCOc1ccccc1-c1nc(CN2CCN(c3ccc(F)cc3)CC2)co1 72185422 MEBNMAAPXJTSIK-UHFFFAOYSA-N 381.451 4.202 0 1 GIAF CC(=O)N1c2ccccc2C[C@]1(Cc1ccccc1)C(=O)OCc1ccccc1 84758343 NGCUUQPCZYTOLO-RUZDIDTESA-N 385.463 4.321 0 1 GIAF Cc1ccc(Nc2cc([C@@H]3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)nc1 221708360 WNRYAYNPCFHWOV-LJQANCHMSA-N 387.487 4.252 0 1 GIAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4ccc(F)cc43)cc21 143518854 SUMCHROIMMFTIR-QGZVFWFLSA-N 397.450 4.159 0 1 GIAF CCN(CC)[P@](N)(=O)O[C@H](C[C@H]1NC(C)(C)C[C@@H](C)O1)c1ccccc1 299809824 YTSDEBSCKWKCGY-LHKSRUOXSA-N 383.473 4.046 0 1 GIAF CC(C)c1cc(OC(C)(C)C)n(-c2nc(N3CCCCC3)ncc2F)c1O 587946254 VDVAJVUITTWJDE-UHFFFAOYSA-N 376.476 4.403 0 1 GIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586971960 CGYVWXCBWJNKQB-ZDUSSCGKSA-N 395.315 4.375 0 1 GIAF COc1n[nH]c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc12 587791478 FWOWHSHGWGONOS-XYZCENFISA-N 390.256 4.097 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc(N)ccc32)N1 587744993 ITKWEAOTNMDSFW-WLRWDXFRSA-N 375.285 4.285 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccn1)(c1ccccc1Cl)[C@@H](C2)C3=O 587417226 AUSWIXYVFLHOMF-KSFYIVLOSA-N 377.827 4.435 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3c(C(=O)O)cccc32)N1 587824937 DQDZTAHIKBPSIW-APBUJDDRSA-N 390.252 4.010 0 1 GIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587052419 SJLMSVULQGIYNZ-QGZVFWFLSA-N 391.858 4.395 0 1 GIAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(O)nc(O)nc2[nH]1 587072747 WDYUICSRSKZFCY-QESQTXLRSA-N 391.258 4.437 0 1 GIAF COc1cc2c3c(c1)OC1(CCN(Cc4ccc(Cl)cc4)CC1)[C@@H](C2)C3=O 587422414 PRJZKMSGSIXXAG-SFHVURJKSA-N 383.875 4.131 0 1 GIAF COc1cc2c(cc1OC)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](N=O)C2 587508315 UWBGGEFACDEYJE-GGAORHGYSA-N 393.439 4.134 0 1 GIAF CCCCCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593100 BYQOCNPQCNURIN-SIKLNZKXSA-N 384.428 4.236 0 1 GIAF CS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587533444 TVHMPWCNHKHOBI-LJQANCHMSA-N 390.888 4.329 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(CC3(CCN(C(=O)OC(C)(C)C)CC3)C1)O2 587402097 XUSGIKZKTUPARI-UHFFFAOYSA-N 386.492 4.092 0 1 GIAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)s1 587648665 DTLDMPUNSYWOCF-UHFFFAOYSA-N 387.404 4.191 0 1 GIAF Cc1nc(O)c(Cl)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587696578 LGFMVRZYORZVOR-RBHXEPJQSA-N 399.691 4.448 0 1 GIAF FC1(c2nc3c(I)cnc(Cl)c3[nH]2)CCCCC1 587132120 KKIOJSYMYOQZKJ-UHFFFAOYSA-N 379.604 4.345 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN(C)C)cc2)N1 587740321 JFCRHZMPBQKJMW-CWTRNNRKSA-N 377.301 4.273 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)C2)N1 587770700 SQNRGRYRZLFGCX-XOBRGWDASA-N 389.312 4.224 0 1 GIAF COCc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC 587592757 KEYPCUFFPMPBJG-OFNKIYASSA-N 392.407 4.250 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@]2(C)CCc1c(C)[nH]c2ccccc2c1=O 963271118 SNWYPVITWDMPLT-HSZRJFAPSA-N 396.918 4.492 0 1 GIAF C[C@]1(C2CCSCC2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962931957 ZQRWKKIYKLXFKU-RBBKRZOGSA-N 399.512 4.142 0 1 GIAF Cc1c([C@]2(C)NCCc3ccc(F)c(C)c32)sc2c1C(=O)N/C(=C\Cl)N2 962149525 WVICEOOVDQZWGB-BNOPAZPUSA-N 391.899 4.106 0 1 GIAF Cc1ccc2c(c1)[C@@]1(CC(C)(C)O2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732179 XPZBRDUFEQOERW-UTKZUKDTSA-N 389.417 4.445 0 1 GIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)cc2-n2cncn2)N1 962958199 PDJFIFIPGXBTET-XOBRGWDASA-N 377.879 4.416 0 1 GIAF NC(=O)N1CCc2sccc2[C@]12CC(=O)C[C@H](c1c(F)cccc1Cl)C2 962717591 ULRFGNPTGWPTOR-WLRWDXFRSA-N 392.883 4.210 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2ncc(-c3ccccc3)s2)N1 963240128 YADPCRVIQOGEOQ-ICSRJNTNSA-N 387.464 4.047 0 1 GIAF CCOC(=O)[C@]1(c2cccc(Cl)c2Cl)NCCc2ccc(F)c(C)c21 962379951 VWXODTGRTXOUDW-LJQANCHMSA-N 382.262 4.393 0 1 GIAF COc1ccc(C(=O)[C@H]2CCCN(Cc3cccn3-c3ccccn3)C2)c(C)c1 11667976 MFGGANWOTSXZQA-IBGZPJMESA-N 389.499 4.284 0 3 GIAF Cc1cccc2c(CCCN3CCN(c4cccc5c4OCCO5)CC3)c[nH]c12 13674834 DLWMCYZLTYRCLS-UHFFFAOYSA-N 391.515 4.002 0 1 GIAF O=C(NCCCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1 169307399 ZJWCKBQFMRUZPC-UHFFFAOYSA-N 394.540 4.395 0 1 GIAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 169723998 RSKNYKPRUPTLBG-DOTOQJQBSA-N 395.858 4.442 0 1 GIAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cncc(-c2cncc(F)c2)c1 205909014 HZUSSBYGSRREPT-UHFFFAOYSA-N 377.297 4.434 0 1 GIAF COc1ccc(C(=O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1 1857634693 DWWKGKUUDMKLDN-UHFFFAOYSA-N 397.515 4.432 0 1 GIAF N[C@@H]1CCC[C@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc5ccccc45)c3c2)C1 1857744863 WKHKPYJZGLRMEQ-DLBZAZTESA-N 399.498 4.338 0 1 GIAF O=C(CN1CCCCC1)Nc1ccc2ncnc(Nc3ccc(Cl)cc3)c2c1 1857748885 YBASOAOXMBABHU-UHFFFAOYSA-N 395.894 4.451 0 1 GIAF COc1cccc(CN2C[C@H](C)NC(=O)c3sc4ccc(OC)cc4c32)c1 3647035 KHIVJUGWFVBXIC-ZDUSSCGKSA-N 382.485 4.057 0 1 GIAF CC=C(C)OC(=O)[C@@H](C)[C@@H](C(=O)OC(C)=CC)c1cc(OC)c2c(c1)OCO2 2356382526 DLOGZYOXRJGVDW-KBXCAEBGSA-N 390.432 4.077 0 1 GIAF CC(=O)NCC(C[C@@H]1C[C@@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 103231442 HNHGRDMXIHUIFC-LQLSTCSOSA-N 376.544 4.372 0 1 GIAF Cc1noc(C)c1Cn1cc(-c2ccnc(N)n2)c2cc(Br)ccc21 103297226 DLWYCZUBEJVNJW-UHFFFAOYSA-N 398.264 4.096 0 1 GIAF CC(C)NC(=O)c1cc([C@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)on1 61929661 KCBMOPAFRVUFIQ-LJQANCHMSA-N 383.492 4.304 0 3 GIAF CC(C)c1cc(NCc2cccs2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29131735 FPVPADRYAMLFAX-UHFFFAOYSA-N 387.530 4.344 0 1 GIAF COc1cc(SC)ccc1[C@H]1CC(c2c(O)cc(C)oc2=O)=NCCS1 28899062 JWCHAQAEIWBLDS-QGZVFWFLSA-N 391.514 4.052 0 1 GIAF CCCNC(=O)c1cc([C@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)on1 61927429 OOPWFOWULQFKQG-LJQANCHMSA-N 383.492 4.305 0 3 GIAF CC(C)(O)c1cc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)s1 26266875 SFBGMMQOTOMLPM-UHFFFAOYSA-N 391.489 4.096 0 1 GIAF COc1ccc2c(OC)c(C(=O)c3cc(OC)c(OC)c(OC)c3)ccc2c1 45497282 YTXLCDNDYOYCRA-UHFFFAOYSA-N 382.412 4.114 0 1 GIAF CS(=O)(=O)c1ccc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 49071647 XSYGBUPIFYBVBL-QFIPXVFZSA-N 376.481 4.446 0 1 GIAF O=C(C[C@@H](CO)c1cccc(OCc2ccccc2)c1)OCc1ccccc1 473160637 YVOTUGOPAZKAEW-QFIPXVFZSA-N 376.452 4.475 0 1 GIAF COc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1F 587019212 VGGLCQLSXZMNMO-UHFFFAOYSA-N 397.431 4.196 0 1 GIAF CC[C@@]1(c2ccc(O)c(OC)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807343 NCJBQIKMMPDFDE-WLRWDXFRSA-N 394.284 4.490 0 1 GIAF CCn1cc([C@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587515687 OIDFQGDFWMVUIA-FRHQNKJESA-N 379.504 4.026 0 1 GIAF Cc1[nH]c(C(=O)O)c(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989761 QFYIPORYURXVEA-UHFFFAOYSA-N 384.391 4.462 0 1 GIAF CC(C)C[C@]1([C@H]2CCCNC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595815 ONJCDJOBIQVASI-LERMDLETSA-N 381.472 4.138 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@@H](C3(C)C)[C@@]2(C)O)N1 587829059 VUBWUZOVDXWTPY-MTGNXQINSA-N 382.317 4.135 0 1 GIAF O=C1C[C@H](Cc2nc3cc(Cl)cnc3[nH]2)c2c(Br)cccc2O1 587001915 APLBWOVJXHRQCX-QMMMGPOBSA-N 392.640 4.009 0 1 GIAF CCCn1nc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587756005 JCDKRDQQNYBNNB-YPMLDQLKSA-N 380.305 4.435 0 1 GIAF C[C@@]1(c2nc3ccc(F)cc3[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567580 DZLUFVLVXUWZFW-XMSQKQJNSA-N 390.370 4.285 0 1 GIAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2nc(Br)c[nH]c-2n1 587163635 QBVUEJVFSCXRON-UHFFFAOYSA-N 397.207 4.104 0 1 GIAF COCCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587790849 HDJANSZMOWFCDM-BLVKFPJESA-N 394.284 4.237 0 1 GIAF COc1ccc(/C=C\Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(OC)c1 587928431 CJLZPQMDJCLUAO-ARJAWSKDSA-N 398.772 4.250 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587819582 BFTCQPQQBTXCEJ-WHTRQGBUSA-N 382.317 4.135 0 1 GIAF N=C(N)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586988227 GZTHSLUADCQBFH-UHFFFAOYSA-N 380.407 4.124 0 1 GIAF COc1cccc([C@@H]2NCCc3ccc(F)c(C)c32)c1OCc1ccccn1 962369969 CEQGFHMYHQLENP-QFIPXVFZSA-N 378.447 4.352 0 1 GIAF Nc1nc2cc([C@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN34)ccc2o1 962642980 OVFARIOHJUFAFV-YKSBVNFPSA-N 396.494 4.246 0 1 GIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1c1cncc(O)c1 961777235 BZOCRYCWYFMAET-FQEVSTJZSA-N 381.476 4.028 0 1 GIAF NC(=O)[C@@H]1CCCN(Cc2c(CC3CCCCC3)[nH]c3ccnc(Cl)c23)C1 1772628437 JEURCLXAYKYUEU-OAHLLOKOSA-N 388.943 4.036 0 1 GIAF COc1ccc2oc(=O)c(C(=O)C(F)(F)F)c(Nc3ccc(C)c(O)c3)c2c1 1772642018 NJPNWPSEHVJZOB-UHFFFAOYSA-N 393.317 4.304 0 1 GIAF NC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1 1772637458 XVPURPYMCSUTHD-HXUWFJFHSA-N 378.859 4.209 0 1 GIAF Cc1cc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Oc4ccccc4)cc3)C2)[nH]n1 11661553 IKBRDQWGXWXGCB-GOSISDBHSA-N 389.455 4.246 0 3 GIAF Cc1sc(C)c2[nH]c([S@@](=O)Cc3nccc(OC(C)C)c3Cl)nc12 13448864 ITSLELCXOCAZQO-XMMPIXPASA-N 383.926 4.385 0 1 GIAF CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc21 13538322 AUZUZIZPNYPPHU-UHFFFAOYSA-N 399.930 4.486 0 1 GIAF COc1cccc(C(F)(F)F)c1C(=O)N[C@@]1(c2ccccc2)CCCN(C)C1 169335848 OJRZZWFUZJCQPX-FQEVSTJZSA-N 392.421 4.065 0 1 GIAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1C(=O)N1CCCC1 169720795 MWOOFQXRXCRPCL-DLBZAZTESA-N 377.275 4.124 0 1 GIAF O=C(Nc1ccc(F)cc1F)[C@H](NCCc1ccc(O)cc1)c1ccccc1 1857642263 XNBYDERYHMVWOE-OAQYLSRUSA-N 382.410 4.183 0 1 GIAF O=C(NC[C@H]1CCCO1)c1ccc2c(c1)sc1nc(-c3ccccc3)cn12 6748760 HKPIFOZOISOSNY-MRXNPFEDSA-N 377.469 4.125 0 1 GIAF COc1cc2c(cc1OC)[C@H](C(=O)c1ccc3c(c1O)C=CC(C)(C)O3)CCO2 13434210 SYOGFYMIPOYTIT-CYBMUJFWSA-N 396.439 4.343 0 1 GIAF biogenic CC(C)Oc1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 13528593 ZCPKXKQZCABKRQ-UHFFFAOYSA-N 384.453 4.165 0 1 GIAF CC(C)c1ccc2c(c1)[C@@H](N1CCN(CCO)CC1)C[C@@H]2c1ccc(F)cc1 22937893 LUZRJLPCCNZOME-VWNXMTODSA-N 382.523 4.136 0 1 GIAF CO[C@@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(-c3ccccc3)c21 29055961 FCNXGYVVSPWIJU-JOCHJYFZSA-N 375.472 4.039 0 1 GIAF COc1cc(NCCCCCCN2C[C@H](C)N[C@@H](C)C2)c2nccc(C)c2c1 29567866 WPPLOZHBWCFVOJ-OALUTQOASA-N 384.568 4.206 0 1 GIAF O=C(c1ccccc1N1Cn2c(ccc2-c2ccccc2)C1=O)N1CCCCC1 64549458 KHHBKFYFMHFBOI-UHFFFAOYSA-N 385.467 4.399 0 1 GIAF in-vivo Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 72135006 BEJDZVFFWORYPM-BHDDXSALSA-N 394.544 4.075 0 1 GIAF Cc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCc3ccccc3)n2)cc1 82192032 USQHUIJHOBRBHA-FQEVSTJZSA-N 377.513 4.404 0 1 GIAF CCCS(=O)(=O)c1ccc2[nH]c([C@H]3CCO[C@@H](c4ccccc4)C3)nc2c1 95574365 SEGIVIKFYDDEGE-OXJNMPFZSA-N 384.501 4.382 0 1 GIAF CC(C)c1cc(CNc2nc(Cl)cc(Nc3cc(C(C)C)[nH]n3)n2)on1 140861206 PIZQGHPCSMEXHK-UHFFFAOYSA-N 375.864 4.444 0 1 GIAF O=C(O)CNCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145474848 XPZJMEVUPGSQHO-SFHVURJKSA-N 396.468 4.176 0 1 GIAF COC(=O)C[C@@H]1[C@@H](Cc2ccccc2)C[C@H]2[C@H](Cc3ccccc3)C[C@H]1N2C 169307671 XXQUTIIQIQULCG-UDIRQSBCSA-N 377.528 4.360 0 1 GIAF Cc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 169355932 BEJDZVFFWORYPM-BHIFYINESA-N 394.544 4.075 0 1 GIAF COc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 205695252 HIYIDNUQBSBYRJ-RTWAWAEBSA-N 390.395 4.139 0 1 GIAF Oc1ncnc2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc12 586998558 MOQKHDBCCSLWHL-SOFGYWHQSA-N 383.205 4.251 0 1 GIAF Brc1n[nH]c2ccc(-c3nc4cncc(Br)c4[nH]3)cc12 587008466 WJSCNYTUDQBFHF-UHFFFAOYSA-N 393.042 4.026 0 1 GIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2c(F)cnc(Cl)c2[nH]1 587043507 QXEZHKSYSFWPFZ-SNVBAGLBSA-N 383.235 4.059 0 1 GIAF CNc1cc(Cl)ccc1-c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587066317 ACKXYDIWXLGDTO-UHFFFAOYSA-N 394.656 4.474 0 1 GIAF COC(=O)c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1OC 587068241 NGYMEXAVCOQBQT-UHFFFAOYSA-N 382.807 4.069 0 1 GIAF Cc1c(Br)cnc2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc12 587116385 VMMXSVGBBHJXHU-UHFFFAOYSA-N 394.582 4.102 0 1 GIAF C[C@@]1(c2nc3cccc(OC(F)(F)F)c3[nH]2)C=C(c2ccccc2F)NO1 587155156 IGTPFSSSPFRPMV-KRWDZBQOSA-N 379.313 4.392 0 1 GIAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cccnc3[nH]2)c1C 587165631 HBCGGQWKYDCMID-UHFFFAOYSA-N 392.434 4.293 0 1 GIAF C[C@H](N)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340282 VPUGGTKMFSQTJN-OAJKGFPOSA-N 377.415 4.133 0 1 GIAF COC(C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC 587346652 JXNFGQIAMWBCQP-UNMCSNQZSA-N 388.435 4.294 0 1 GIAF O=C(O)CC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351700 KTKPMLFYNUFBOG-JLUKAZENSA-N 384.403 4.294 0 1 GIAF COc1ccc(Br)c2c1CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587371165 IZCRGUTXZSBBSH-LJQANCHMSA-N 388.261 4.155 0 1 GIAF CCOC(=O)C[C@]1(Cc2cc(C)cc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587399147 ILOBQLFMJCZANN-QHCPKHFHSA-N 381.472 4.094 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)cc1OC)[C@@H](C2)C3=O 587414583 WIEMKBNUHWQKPR-IFXJQAMLSA-N 389.245 4.129 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cccc1N1CCOCC1)CC2=O 587467836 USOUTPANTGMJMM-FQEVSTJZSA-N 385.435 4.027 0 1 GIAF O=C(Cc1ccccc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658588 PMEHEVXNXMSGPP-UHFFFAOYSA-N 376.362 4.225 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2ccc(F)c(F)c2)N1 587726067 UDQYQSPBXPHFLL-VPTHRUTESA-N 384.195 4.325 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2oc3cccnc3c2N)N1 587748682 XSTOVXTUNVMRAN-DYBLOJMWSA-N 390.256 4.109 0 1 GIAF COc1ncc(C)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587773513 ZAGIQEVKTZOAAK-BBATYDOGSA-N 379.273 4.098 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccc(O)c3n2)N1 587779817 WKUOAGLFMBQELI-GIGQVBGESA-N 387.252 4.466 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3nc2O)N1 587780137 YSCPFWPNHJKEOF-XTZNXHDOSA-N 387.252 4.466 0 1 GIAF COC(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587807534 LSZNRWWGKGAIJB-WLRWDXFRSA-N 392.268 4.173 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(=O)C[C@@H](c3ccco3)C2)N1 587828403 NCNAWBXLFGCAJS-MJCKAROISA-N 392.268 4.448 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc4c(c32)CCO4)N1 587834246 KKBWAZYFBSIKLE-YBTHPKLGSA-N 388.280 4.247 0 1 GIAF COc1cc(C(=O)O)ccc1-n1nc(-c2ccccc2C(F)(F)F)cc1OC 587863204 UPXOMOZWFXSPND-UHFFFAOYSA-N 392.333 4.274 0 1 GIAF O=C(c1nc2cc(C(F)(F)F)ccc2s1)N1CCN(c2ccccc2)CC1 653841641 HPUWYPJLRQBYGA-UHFFFAOYSA-N 391.418 4.278 0 1 GIAF O=C(O)c1ccc(N2CCC3(CC2)c2ccc(F)cc2C[C@H]2CCCN23)cc1 963096664 FXQGCLOFKZBXAK-HXUWFJFHSA-N 380.463 4.040 0 1 GIAF O=C(Cn1ccc(-c2cccc(Cl)c2)n1)Nc1cnn(Cc2ccccc2)c1 1857641268 RBWROVXEUDONDC-UHFFFAOYSA-N 391.862 4.087 0 1 GIAF COCC=Cc1ccc2c(c1)[C@@H](COC(C)=O)[C@H](c1ccc(OC)c(OC)c1)O2 2356708240 HKPBKTJFDWPYQN-XXBNENTESA-N 398.455 4.144 0 1 GIAF O=C(CCCN1C(=O)c2ccccc2Sc2ncccc21)N1CCCCCC1 6797043 WQLOAYFZWWLIAS-UHFFFAOYSA-N 395.528 4.376 0 1 GIAF O=c1cc(C(F)(F)F)[nH]c2c(-c3ccc(Cl)cc3)c(C(F)(F)F)nn12 101404877 ILSPOVWKPGFMLZ-UHFFFAOYSA-N 381.663 4.381 0 1 GIAF CC(C)(Nc1nc(O)nc(Nc2ccc3ncsc3c2)n1)c1ccccc1 8582014 BJNCGWGKNWXUIL-UHFFFAOYSA-N 378.461 4.278 0 1 GIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(C(C)=O)cc3)cc2)C[C@@H]2CC[C@@H]1N2C 100801297 QOGDDOWLBRAWFT-GSPCLOLRSA-N 377.484 4.296 0 1 GIAF CCCNC(=O)c1cc([C@H]2CCCCN2C(=O)c2ccc3ccccc3c2)on1 61907162 ZUNWVZQVYOIGAQ-HXUWFJFHSA-N 391.471 4.335 0 3 GIAF Nc1c(C(=O)Nc2ccccc2C(=O)O)sc2nc3c(cc12)CCCCCC3 22079216 GMENZMGQONCOCB-UHFFFAOYSA-N 395.484 4.488 0 1 GIAF CC1=C[C@H](CNC2CCCC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356838915 MELQBRWTEDNELO-NLWGTHIKSA-N 397.567 4.399 0 1 GIAF CCCCN(C=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 36189670 CHFVUVDSWHAXBF-ILYSDODGSA-N 388.596 4.477 0 1 GIAF CC(C)CN(C=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 36189612 NXXBOHRMYWWVFA-ILYSDODGSA-N 388.596 4.333 0 1 GIAF O=C(O)Cc1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1 40935945 WDRSPZUQPOLNID-UHFFFAOYSA-N 379.199 4.250 0 1 GIAF CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2C[C@@H](C)C[C@H](C)C2)n1 82066830 NWUZHJPRZHIYIC-HRCADAONSA-N 385.512 4.365 0 1 GIAF O=C(c1cccc2ccccc12)N1[C@H]2CC[C@H]1[C@H](COc1ccc(F)cn1)C2 220716484 KILRUPZFIUOIAS-MDKPJZGXSA-N 376.431 4.446 0 1 GIAF NCc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)cc1 49073394 WOHISNQXTSCFOC-HSZRJFAPSA-N 397.526 4.496 0 1 GIAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 43204907 PCUQHNTZXLPGNX-WJJPVSRMSA-N 381.564 4.433 0 1 GIAF CCOC(=O)NCCN[C@H](CC(C)C)C1(c2ccc(OCC)cc2)CCC1 199947626 BKVALIDOPGIDPZ-HXUWFJFHSA-N 376.541 4.257 0 1 GIAF COc1ccc2c([C@H]3CCc4ccc(Br)cc43)ncnc2c1OC 474609650 RYUWLGDIHZMPLI-ZDUSSCGKSA-N 385.261 4.488 0 1 GIAF CC[C@H](C)NC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 299886102 WOELPXYAWAVPSG-OAGGEKHMSA-N 384.499 4.293 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=COc1ccc(F)cc12 587569478 LQIRWWSKEZQWDU-KNQAVFIVSA-N 376.339 4.295 0 1 GIAF COc1cc(N2CCOCC2)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518251 DKAOYMYDCOLBRA-HSZRJFAPSA-N 393.483 4.117 0 1 GIAF CCCN(CCC)S(=O)(=O)c1ccc(C(=O)c2coc3ccccc23)cc1 587281166 ZJCIAARSJUNZKL-UHFFFAOYSA-N 385.485 4.475 0 1 GIAF CC1=C(c2ccc3nc([C@@H](C)SCc4ccccc4)[nH]c3c2)NNC(=O)C1 586961196 GFJKSDHXFXQUDH-CQSZACIVSA-N 378.501 4.313 0 1 GIAF CSc1ncc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587846241 PPGONFVJWYCFFC-VVVCHXIZSA-N 396.329 4.206 0 1 GIAF CC(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587581257 VHDJOTATPGKZTA-NZQKXSOJSA-N 389.407 4.362 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)nn1CC 587866130 ULXZDHFVLFLGDE-UHFFFAOYSA-N 392.381 4.181 0 1 GIAF CCCn1ncc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587765833 UJMFMEBVPGDWLX-VOJFVSQTSA-N 380.305 4.301 0 1 GIAF C[C@]1(c2ccc(O)c3nc(O)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587521346 BEAPKYAYGFZELU-HSZRJFAPSA-N 375.424 4.405 0 1 GIAF COc1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587546645 JUASDJKVYFLWBL-LAUBAEHRSA-N 398.798 4.463 0 1 GIAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC[C@H]1CO1 587535920 PDNXFNXDRAACJI-OSPHWJPCSA-N 394.467 4.232 0 1 GIAF Cc1cc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)no1 587580853 ZPEJOCKKEROBRO-UGKGYDQZSA-N 388.379 4.182 0 1 GIAF Brc1ccnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c12 587232461 UZADIKRXBXQHJM-UHFFFAOYSA-N 383.249 4.270 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cncn1-c1ccc(F)cc1 587870198 BOFFMLSMPILCJT-UHFFFAOYSA-N 394.381 4.101 0 1 GIAF Cc1ccc(-n2ccnc2SCc2nc3cc4nc(O)[nH]c4cc3[nH]2)c(C)c1 586966687 QDEUXLVHXFVPDE-UHFFFAOYSA-N 390.472 4.240 0 1 GIAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C)ccc2[nH]1 587180656 JDNAEFXVURLWDJ-SNVBAGLBSA-N 380.233 4.310 0 1 GIAF COC(=O)c1coc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587353911 OEDRCFVLVDMDOC-UGKGYDQZSA-N 396.370 4.185 0 1 GIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)cc2N1 587125890 HGXRNFHHFLCJKF-XNCJUZBTSA-N 391.184 4.436 0 1 GIAF COc1cc2c3c(c1)O[C@@H](C1(c4cccc(Cl)c4)CCOCC1)[C@@H](C2)C3=O 587419226 KIUUPZZLLMRSAS-LAUBAEHRSA-N 384.859 4.213 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ncc[nH]2)N1 587790600 IRIJBOACOBVPRH-BUXKBTBVSA-N 386.268 4.137 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@]2(C1)NCCc1c(Cl)cc(Cl)cc12 963116013 BNZWIRJTLXOADW-NXPJVHOHSA-N 383.319 4.221 0 1 GIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(c1ccncc1)C1C[C@@H]2CC[C@H](C1)N2 963113229 QERGKFYOYUVAQO-YBGCSGLCSA-N 377.507 4.015 0 1 GIAF Cc1nc2c(N3CCOCC3)nccn2c1NCc1ccccc1-c1ccccc1 1772571995 IAXMWLCFYZMVRU-UHFFFAOYSA-N 399.498 4.153 0 1 GIAF O=C(O)Cn1nc(C(=O)O)cc1-c1ccc(-c2ccc(Cl)cc2Cl)cc1 13534759 GKJVIHOFGGUSRG-UHFFFAOYSA-N 391.210 4.307 0 1 GIAF Cc1cccc(COc2nn3c(-c4ccco4)nnc3c3c2C2CCC3CC2)n1 13580821 ZOJGLIUFBPODLH-UHFFFAOYSA-N 387.443 4.422 0 1 GIAF Cn1c(-c2ccc([S@](C)=O)cc2)nc2c(Sc3ccc(F)cc3)ncnc21 13608655 XPURHJVHWKAYJR-HHHXNRCGSA-N 398.488 4.058 0 1 GIAF CCC(=O)c1cn([C@@H](CCC(OC)OC)CC(=O)OC(C)(C)C)cc1CC 15973913 VEEFPMBCCJYPKM-INIZCTEOSA-N 381.513 4.315 0 3 GIAF COc1cccc(-c2cccc(C(=O)c3cc(OC)c(OC)c(OC)c3)n2)c1 1857588798 LLUSJDZVICZPPC-UHFFFAOYSA-N 379.412 4.014 0 1 GIAF O=C(O)CC1[C@H]2CCC[C@H]1CN(Cc1ccc3c(c1)Nc1nccnc1S3)C2 139392126 JZNVJUVWROSXIW-GJZGRUSLSA-N 396.516 4.008 0 1 GIAF CC(C)(C)OC(=O)Nc1ccc(OC(=O)NN2CCc3ccccc3C2)cc1 603112 IDMNLAYMNLOJLR-UHFFFAOYSA-N 383.448 4.095 0 1 GIAF Fc1ccc2[nH]cc(CCCNCCOc3cc(Cl)cc4[nH]cnc34)c2c1 3923592 WHXNJTORMHZUJH-UHFFFAOYSA-N 386.858 4.438 0 1 GIAF Fc1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cc1 103241844 UPZYJNDFFUPCMP-UHFFFAOYSA-N 392.453 4.453 0 1 GIAF CCCCOC(=O)CCSC1c2cccc(O)c2C(=O)c2c(O)cccc21 26839726 MGOATCKLHJYNFG-UHFFFAOYSA-N 386.469 4.198 0 1 GIAF S=c1[nH]nc(Cc2nc(-c3ccccc3)no2)n1CCCc1ccccc1 64744385 IGUKVGMBYZTCIP-UHFFFAOYSA-N 377.473 4.214 0 1 GIAF F[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1OCc1nc2ccccc2[nH]1 2356299791 OJPBNURMHYOEIF-MAUKXSAKSA-N 393.384 4.321 0 1 GIAF COc1ccc([C@H]2c3c(ccc4ccccc34)O[C@@H]3N=C(S)NC(=N)[C@@H]32)cc1 64446971 UXKXKYXXXUUSRZ-CUWPLCDZSA-N 389.480 4.181 0 1 GIAF CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2[C@@H](c2ccccc2)C1 28893092 RELMLKVZHCPAMI-XMMPIXPASA-N 382.523 4.467 0 1 GIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCOc2c(OC(F)(F)F)cccc21 38215518 XKXJVTYDGSUSKI-CYBMUJFWSA-N 392.337 4.107 0 1 GIAF COC(=O)c1cnc(C(=O)[C@H]2CCc3cc(Oc4ccccc4)ccc3C2)o1 71330486 XRAQVGGXXBBGQA-INIZCTEOSA-N 377.396 4.241 0 1 GIAF CC(C)NCc1ccc(-c2cc(-c3cccc(C(=O)NC(C)C)c3)[nH]n2)cc1 66065869 ALSIYHKELLVYMO-UHFFFAOYSA-N 376.504 4.380 0 1 GIAF CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cc(OC)ccc2c1=O 49070060 YHIIITVTYPNCIC-UHFFFAOYSA-N 391.345 4.399 0 1 GIAF C=CC1=C(C(=O)NCc2ccc(Cl)cc2)[C@@H](c2ccc(OC)c(OC)c2)OC1 82158199 BPVHUEYAUTVLIO-OAQYLSRUSA-N 399.874 4.228 0 1 GIAF Cc1ccc(-c2nc(C(=O)N[C@@H](C(=O)NCC3CCCCC3)C(C)C)co2)cc1 82069984 BMRRXJIQJGAFQT-HXUWFJFHSA-N 397.519 4.101 0 1 GIAF Nc1ccccc1NC(=O)c1ccc(NCC(=O)Nc2ccccc2Cl)cc1 84704674 BILLVLCABRVYRR-UHFFFAOYSA-N 394.862 4.225 0 1 GIAF Nc1nc(Nc2cccc(C(F)(F)F)c2)c2cc(CCc3ccccn3)[nH]c2n1 95592487 FSZWSFUFUGCRLD-UHFFFAOYSA-N 398.392 4.483 0 1 GIAF CC(C)CC(=O)Oc1ccc([C@@H](O)CNC(C)(C)C)cc1OC(=O)CC(C)C 149903268 WLGXLXGNNLLIGE-KRWDZBQOSA-N 393.524 4.011 0 1 GIAF O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@@H]1CCC[C@H]2C=CC=C[C@H]21 253686945 HBNIAKXTMMHNGE-KCZVDYSFSA-N 390.527 4.315 0 1 GIAF O=C(CCc1cn(C[C@H](O)CN2CCCCC2)c2ccccc12)c1ccccc1 299864366 MHSBQWAPDZNAST-JOCHJYFZSA-N 390.527 4.304 0 1 GIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C)cc(Br)c3[nH]2)cc1 587937204 OIHOPJAULGEMTO-PIGZYNQJSA-N 375.266 4.480 0 1 GIAF Cc1nc2[nH]c(Cc3csc(-c4ccco4)n3)nc2cc1Br 587016754 CYCBQGIEXAZWPC-UHFFFAOYSA-N 375.251 4.336 0 1 GIAF O=C1c2ccc(O)cc2OC2(CSCCSC2)[C@@H]1c1ccc(F)cc1 587375232 RUPJWSVYIFWIJF-QGZVFWFLSA-N 376.474 4.109 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H]1CC[C@@]2(C)C1(C)C 587818350 QVMJKZYGOKAJNN-XYVUPVQVSA-N 380.301 4.343 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)N(C)Cc1cccc(Cl)c1)O2 587379557 VQFJQZNWGFWHJU-OAQYLSRUSA-N 386.879 4.003 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1c(C)noc1C)O2 587395926 WHEOJAVUNUMUJY-NRFANRHFSA-N 378.428 4.468 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccnc2N(C)C)N1 587695301 RFQMSISKWKWBSX-ABKXIKBNSA-N 398.707 4.326 0 1 GIAF COc1ccc2c(C)c(CCc3nc4c(C)cnc(Cl)c4[nH]3)c(=O)oc2c1C 586918052 HUYPOJSJRKMHQZ-UHFFFAOYSA-N 397.862 4.437 0 1 GIAF CC(C)Oc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 587143711 FANVWWGQRHEKOI-HNNXBMFYSA-N 392.272 4.494 0 1 GIAF Cc1cccc(NC(=O)Cc2nc3ccc(Br)c(F)c3[nH]2)c1C 587239257 OHUGOVXKGUSXAV-UHFFFAOYSA-N 376.229 4.263 0 1 GIAF COc1c(F)cccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554016 CKNLKWKTBWDDGI-AVRDEDQJSA-N 380.371 4.417 0 1 GIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1 587788006 YUDLRUNOYJJYAH-QZTJIDSGSA-N 398.466 4.338 0 1 GIAF CCOc1cc(O)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599234 WPUUUFXFUXXYSB-DENIHFKCSA-N 378.380 4.199 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(O)ccc32)[C@H]1c1ccc(F)cc1 587344923 HUQVVEPDCIZTIB-GMAHTHKFSA-N 391.398 4.223 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1cc(F)ccc1Br)O2 587387007 YTWUVGVDOXFQLF-ZDUSSCGKSA-N 378.241 4.445 0 1 GIAF Cc1ccnc2c1CCN[C@]21CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 963068060 JRHQOVBNRJQMDP-YKSBVNFPSA-N 393.531 4.156 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C2(CN3CCOCC3)CCCCC2)N1 962953860 WLXJSHNZELMQIT-WZONZLPQSA-N 381.564 4.416 0 1 GIAF C[C@@]1(c2cccc(F)c2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172596 DEHRBALHEQEMIT-RDJZCZTQSA-N 387.760 4.360 0 1 GIAF CCc1nc2ccccc2n1[C@H]1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)C1 14976950 QVEGWYOUJZKXIV-INIZCTEOSA-N 388.471 4.176 0 1 GIAF C[C@H]1[C@H]2Cc3ccc(OC(=O)c4cccnc4)cc3[C@@]1(C)CCN2CC1CC1 169342302 WLAFKLKIJSWHCL-IGUJJWBZSA-N 376.500 4.235 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(OC(F)F)c1 166829644 KVUGNCAMECQIRX-CZUORRHYSA-N 391.414 4.415 0 1 GIAF O=C(Nc1ccc2c(c1)OCO2)c1csc(Nc2ccc3ncccc3c2)n1 1857543039 ZEKRXHUXXLGXAK-UHFFFAOYSA-N 390.424 4.416 0 1 GIAF COc1cc([C@H]2CCc3c(ccc(OC)c3OC)C(=O)C2)cc(OC)c1OC 1857547805 MHHMOFOCPFLXTR-ZDUSSCGKSA-N 386.444 4.032 0 1 GIAF O=S(=O)(c1ccc(Cl)cc1)N1N=C2CCC[C@H]2[C@@H]1c1ccc(F)cc1 1857573745 MUTKWCOAWULTEF-AEFFLSMTSA-N 378.856 4.381 0 1 GIAF O=C(Nc1cc(F)c(F)c(F)c1)c1cc(O)nc2cc(Br)ccc12 1857635581 JOGBTTJBHHSDRS-UHFFFAOYSA-N 397.150 4.373 0 1 GIAF CN=c1[nH]c(=NCc2cccc(Cl)c2)c2cc(-c3c(C)noc3C)ccc2[nH]1 1857656207 OCOCTTCICULAJC-UHFFFAOYSA-N 393.878 4.053 0 1 GIAF CCCCNc1ccc(C(=O)O)cc1NC(=O)c1cn(C(C)=O)c2ccccc12 1857749902 DEPDPXKMPRGKFA-UHFFFAOYSA-N 393.443 4.464 0 1 GIAF O=C(NCCO)c1c(-c2ccccc2Cl)noc1-c1ccc(F)cc1Cl 2482129 CULLNVNNNGLNLT-UHFFFAOYSA-N 395.217 4.177 0 1 GIAF COc1cc2c(cc1OC)CN(C(=O)[C@@H](Cc1ccccc1)C(C)(C)C)CC2 13588110 QBEZKPQJLYALCQ-HXUWFJFHSA-N 381.516 4.494 0 1 GIAF COC(=O)/C1=C\CC[C@]2(C)O[C@H]2CC/C(C(=O)OC)=C/C=C(/C(C)C)CC1 15154320 OQZOTIXASJTXOV-MLUCDBLXSA-N 376.493 4.279 0 1 GIAF COc1cc(C)c2c(c1C)[C@H](O)[C@@H]([C@H](C)C(=O)N(C)Cc1ccccc1)CC2 15709108 FHRKBQPOQZAXGE-LERMDLETSA-N 381.516 4.203 0 1 GIAF biogenic C[C@@H]1CC(=O)c2c(n(-c3ccc(C(N)=O)c(Br)c3)c3ccccc23)C1 29046228 RQZHTXXTSVYKRG-NSHDSACASA-N 397.272 4.257 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC=C2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820899 GOFALKRKFDZKRN-AIFAXGCRSA-N 390.564 4.398 0 1 GIAF CC(C)CN(C=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36189607 NXXBOHRMYWWVFA-KBOPKFICSA-N 388.596 4.333 0 1 GIAF O=C(NC(=S)N1CCc2c(OCc3ccccc3)cccc21)c1ccccc1 43025075 NSUHBIHWBDHWHX-UHFFFAOYSA-N 388.492 4.343 0 1 GIAF COc1ccc(COc2c(-c3ccccc3)oc3cc(O)cc(O)c3c2=O)cc1 64511848 MHLPSWPXDJNHJO-UHFFFAOYSA-N 390.391 4.459 0 1 GIAF CC(=O)c1ccc(CN2C(=O)c3ccccc3[C@]2(O)c2ccc(Cl)cc2)cc1 66101358 WPVMCSFCDNXBJK-HSZRJFAPSA-N 391.854 4.392 0 1 GIAF C[C@]1(C(F)F)NCCc2c1oc1cc(S(=O)(=O)c3cccc(F)c3)ccc21 73221592 KJOGLIKJNJFQMM-IBGZPJMESA-N 395.402 4.031 0 1 GIAF COc1cc2nc(N3CCCC3)nc(NCc3ccc(C)cc3)c2cc1OC 82130016 GEVFYZDDXFMZCZ-UHFFFAOYSA-N 378.476 4.168 0 1 GIAF CC(C)CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2C[C@@H]1CCCO1 82178084 LALBVDHICNMVBM-MJGOQNOKSA-N 393.535 4.419 0 1 GIAF COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCc3ccccc3)n2)cc1 82192420 YYOYJDLCQPOXGL-FQEVSTJZSA-N 393.512 4.104 0 1 GIAF Cc1noc(-c2c(NC(=O)C3=C(C(=O)O)CCCC3)sc(C)c2C2CC2)n1 147027990 WDGDSTNYLTWKFN-UHFFFAOYSA-N 387.461 4.186 0 1 GIAF CN1C(=O)C=C[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@@H]4[C@@H]3CC[C@@H]12 169322658 RIGMJQYSJWLGJZ-UFEZNFEFSA-N 386.580 4.157 0 1 GIAF CCCCCCn1nc(NC(=O)[C@H]2CNC(=O)C2)cc1-c1cccc(CCC)c1 169706945 CQYBHBDDQRPFTM-LJQANCHMSA-N 396.535 4.158 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(C(C)(C)C)n3)C2)cc1 169709261 WYKYDAQBMUHNKC-JXFKEZNVSA-N 381.520 4.234 0 1 GIAF CC[C@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccccc2)c1F 218391577 JZQJCFPNAGFNDZ-WBMJQRKESA-N 376.859 4.015 0 1 GIAF CC(C)(C)c1ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2n1 587060873 PRQRCZWJTVLVNQ-UHFFFAOYSA-N 378.867 4.445 0 1 GIAF COc1ccc(C(=O)c2ccccc2-c2nc3c(Cl)ncnc3[nH]2)cc1F 587143600 ALGWXZIYTZZZEC-UHFFFAOYSA-N 382.782 4.052 0 1 GIAF Fc1ncc(Br)cc1-c1nc2ccc(Br)c(F)c2[nH]1 587177848 CFYIQABWTIQHPT-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF Cc1ncn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587339910 GVBVBIUNLBYSJR-UNMCSNQZSA-N 380.419 4.162 0 1 GIAF COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 587394519 WUXXDUHORSGTLU-OAQYLSRUSA-N 388.423 4.132 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC13CCN(C(=O)OC(C)(C)C)CC3)O2 587401183 UALLAOMNKKEFIM-JOCHJYFZSA-N 386.492 4.092 0 1 GIAF COCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587521597 IOCJAMGQYKPOEY-NRFANRHFSA-N 382.456 4.306 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCN(C1CCCC1)C2 587594969 NYTAJYJTYWFMHI-NFBKMPQASA-N 379.456 4.131 0 1 GIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1C 587595737 RWCJKLYHGSJYLD-OFNKIYASSA-N 392.407 4.421 0 1 GIAF COc1cccc(OC)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805332 FYSLZDYXVCCDMO-WLRWDXFRSA-N 394.284 4.403 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=Cc3cc(O)ccc3OC2)N1 587832321 BKCFJARCUFNWAM-DGIBIBHMSA-N 390.252 4.345 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1ccc(C)cc1 587867839 ORLLHYOCQKIETK-UHFFFAOYSA-N 390.365 4.033 0 1 GIAF CCc1ccc(C(=O)CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 587955505 LIUGJZINOUNGDG-UHFFFAOYSA-N 382.773 4.355 0 1 GIAF COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OC[C@H]1CCCO1 653850211 YPSQQALJBJERNM-CYBMUJFWSA-N 399.422 4.093 0 1 GIAF COc1ccc(OC)c([C@@]2(c3ccc(C)nc3)NCCc3ccc(F)c(C)c32)c1 962302564 UEDZDWIANBEZHS-XMMPIXPASA-N 392.474 4.292 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OCC(C)C)ccc3C2)cc1 1772619160 FLSCATCBORIFHN-SFHVURJKSA-N 380.532 4.477 0 1 GIAF Cc1nc(C(=O)NCc2cccc(C(F)(F)F)c2)nn1-c1ccc(Cl)cc1 1857563219 JXDMIFOGZXWNJM-UHFFFAOYSA-N 394.784 4.178 0 1 GIAF CC1(C)CCC[C@]2(C)C3=C(COC3=O)C[C@H](OC(=O)/C=C/c3ccc(O)cc3)[C@@H]12 1857572992 FLLYIKBNXZGXFU-SXSJYPBVSA-N 396.483 4.407 0 1 GIAF C[C@H](NC(=O)[C@@H]1CCC(=O)N1c1cccs1)c1ccc(Cl)cc1Cl 1911577843 DOPHUSAELHJOLB-HZMBPMFUSA-N 383.300 4.428 0 1 GIAF CO[C@]1(C)CCC[C@@]2(C)[C@@H]1C[C@@H](C1=CC[C@H](C(C)(C)O)OC1)C[C@H]2CN(C)C 2356510646 GRJRDZBKHTWUTA-BSZKWMGISA-N 393.612 4.272 0 1 GIAF C1=C([C@@H](c2nnnn2C2CCCCC2)N2CCCCC2)COc2ccccc21 57613745 AFGGQOIKESIMPW-NRFANRHFSA-N 379.508 4.181 0 3 GIAF CC[C@@H](CO)Oc1cc(NC(=O)c2cccc(OC)c2)c2ncn(C(C)C)c2c1 61949042 LWMUDICSDMKLIO-INIZCTEOSA-N 397.475 4.028 0 3 GIAF COc1cc(-c2nn(C(C)C)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C 8581989 LVOBTCONHRNJJA-UHFFFAOYSA-N 398.467 4.012 0 1 GIAF in-vitro C[C@H]1C=C(CCCCCCCCCCCC[C@@H]2C(=O)O[C@@H](C)[C@H]2O)C(=O)O1 13359004 OUGUBSKRYFRNBT-QGZVKYPTSA-N 380.525 4.462 0 1 GIAF CNC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 13795567 SJGDVQIERSGJRH-QHCPKHFHSA-N 395.462 4.119 0 1 GIAF COc1ccc(CN2CCC(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1 13860170 YNUOGMCLPCOTIC-GOSISDBHSA-N 378.516 4.275 0 1 GIAF Cc1cccc(NC(=O)CN2CCN(c3ccc(Cc4ccccc4)cc3)CC2)c1 28355728 CHJYPPWGALSSOA-UHFFFAOYSA-N 399.538 4.347 0 1 GIAF CC1(C)CC(=O)[C@@H]2[C@H](C1)Nc1ccnn1[C@H]2c1ccc(F)c(Br)c1 29246194 IWJQDBFMIKCNGT-JQFCIGGWSA-N 392.272 4.174 0 1 GIAF CC1(C)CC(=O)[C@@H]2[C@H](C1)Nc1ccnn1[C@@H]2c1ccc(F)c(Br)c1 29246208 IWJQDBFMIKCNGT-RRQGHBQHSA-N 392.272 4.174 0 1 GIAF CCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cc(OC)ccc2c1=O 49070848 HXBJPHUNYSIDNR-UHFFFAOYSA-N 391.345 4.399 0 1 GIAF CS(=O)(=O)c1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1 84619780 PURIDABLPFRTDZ-UHFFFAOYSA-N 397.565 4.074 0 1 GIAF Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(C(F)(F)F)cc2=O)nc1 95921148 QRULBTPYHROTAY-INIZCTEOSA-N 393.409 4.331 0 1 GIAF in-vitro CC1(C)C[C@H](c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CCS1(=O)=O 114234785 PZNOTHUZGPKYEZ-OAHLLOKOSA-N 396.512 4.005 0 1 GIAF CNCCc1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1F 149236887 DPFAWEDZWWWJGK-UHFFFAOYSA-N 382.460 4.325 0 1 GIAF CC[C@H]1C[C@@]2(C[C@@H](CC)N1Cc1ccccc1)C(=O)NC(=O)N2c1ccccc1 299806138 JUFHLTWJDLYGGA-GZOXUSKESA-N 391.515 4.335 0 1 GIAF COc1cc2c(cc1OC)[C@H](CCc1ccc(C(F)(F)F)cc1)NC[C@H]2O 299853632 NLVAXLHFIPVIGH-DLBZAZTESA-N 381.394 4.033 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586915342 CYTLASKLXZLJOG-HXPMCKFVSA-N 386.354 4.101 0 1 GIAF Cc1cc(Cc2nc3c(Br)ccnc3[nH]2)ccc1Br 586977449 OXMFAUMCTCBHEU-UHFFFAOYSA-N 381.071 4.382 0 1 GIAF COc1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cn1 587026167 KFYYEZKIJLDENX-OLMNPRSZSA-N 396.516 4.103 0 1 GIAF CCOc1ccccc1[C@@](N)(c1nc2cc(F)c(F)c(F)c2[nH]1)C(F)(F)F 587093858 YQTZLFHTQQYRLM-MRXNPFEDSA-N 389.299 4.144 0 1 GIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2c(Br)ccnc2[nH]1 587116127 PAWJNANTRMNDRM-UHFFFAOYSA-N 394.154 4.349 0 1 GIAF N[C@@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)C[C@H]1c1ccccc1F 587155598 JBADZTCPDOKDBS-QFYYESIMSA-N 380.648 4.459 0 1 GIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2c(F)cnc(Cl)c2[nH]1 587167254 JNAFHEVMQLOTNM-GFCCVEGCSA-N 377.782 4.259 0 1 GIAF C[C@@H]1CC2(CC[C@@]13Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1)OCCO2 587356952 LOHPXCXNYPCXML-ODMCQALKSA-N 398.430 4.192 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1CC=CC[C@@H]1C(=O)O)O2 587405540 XMVRBWBYVPYHHE-CEXJFXJFSA-N 377.440 4.105 0 1 GIAF Cn1ccnc1[C@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587500815 DFAKZQMFWDBVHS-HSZRJFAPSA-N 376.431 4.347 0 1 GIAF COc1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587557199 MKDYXTBGCULOPJ-GHTZIAJQSA-N 384.334 4.382 0 1 GIAF CCn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587576800 KNGGESPNKMYOED-KNQAVFIVSA-N 386.407 4.465 0 1 GIAF C[C@]1(c2ccccc2-n2ccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577109 MBVJQBAYXUJSTI-XUZZJYLKSA-N 398.418 4.455 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]nc1-c1ccccc1 587591283 CBXZEQOFNSFHGK-XXBNENTESA-N 384.391 4.485 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587597184 QAHZAZRBGQYXGA-QPMCIGMLSA-N 396.439 4.092 0 1 GIAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2[C@H](C(=O)O)n2cncn2)cc1 587631656 GHCJVUYHQDPKQL-GOSISDBHSA-N 384.798 4.201 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587725522 QSBHTAYCCXYIEN-XLFHBGCDSA-N 396.231 4.138 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]c3nccc-3cc2F)N1 587726828 LGUUKNGLXLGVHE-BCTVWOGZSA-N 378.220 4.179 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3cnn(C)c3c2)N1 587762202 XLUXUDWTWCVHIT-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)C2)N1 587770695 SQNRGRYRZLFGCX-VBKZILBWSA-N 389.312 4.224 0 1 GIAF CCC[C@@]1(c2ccc3c(c2)OCO3)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962573073 MPLXVLGIRCCCMJ-IQMFZBJNSA-N 383.488 4.353 0 1 GIAF Cc1ccnc2c1CCN[C@@]2(C)c1cc(Cl)cc(I)c1 963071625 KGHXXDVFGFZULK-INIZCTEOSA-N 398.675 4.057 0 1 GIAF Cc1ccnc2c1CCN[C@@H]2C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 963078166 XMXYFNDRTUCQFE-UYAOXDASSA-N 381.520 4.103 0 1 GIAF C[C@]1(C2CC(F)(F)C2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963187746 SOFPBHKARPJPHV-GXTWGEPZSA-N 383.744 4.218 0 1 GIAF Cc1cc[nH]c1C(=O)N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12 1857593413 MNQIOOAZEYBEJM-UHFFFAOYSA-N 398.388 4.414 0 1 GIAF Cc1ccc2nc(C[C@@H]3CN(Cc4ccccc4)CC[C@H]3CC(=O)O)[nH]c2c1 2356302774 ZWWAMXXDTGRULW-RBUKOAKNSA-N 377.488 4.027 0 1 GIAF C[C@](O)(CCCCCCCCCc1ccc(O)cc1)C[C@]1(C)OC(=O)C[C@@H]1O 2356570309 DIFCTNZAEJDHLR-PMVMPFDFSA-N 392.536 4.263 0 1 GIAF CC(=O)OCC=C(C)CCC=C(C)[C@@H](CC=C(C)COC(C)=O)OC(C)=O 2356773573 CONZVMGKHGPFDE-OAQYLSRUSA-N 380.481 4.054 0 1 GIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@H]12)[C@H]1C[C@H](C(=O)O)[C@H]3O1 2356796141 MWDJGWPPQHFEID-OWWQAYMQSA-N 388.504 4.262 0 1 GIAF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 767030 UJFMWAPPYXSSDJ-PZJWPPBQSA-N 394.471 4.338 0 1 GIAF Cc1ccccc1/C(=C\OCCN1CCC[C@@H](C(=O)O)C1)c1cccc(F)c1 13800080 PEQWTLDEOSHRCA-OSEFQUDUSA-N 383.463 4.337 0 1 GIAF CS(=O)(=O)c1ccc(-c2occ(Cl)c(=O)c2-c2ccccc2F)cc1 26281463 XOLKAZNYFNYAOI-UHFFFAOYSA-N 378.808 4.170 0 1 GIAF O=C1CN(Cc2ccc(Cl)cc2)C[C@H]2c3cccn3-c3ccccc3CN12 27522930 NTFVRGIIXIQBFW-NRFANRHFSA-N 377.875 4.030 0 1 GIAF CN1[C@H]2C[C@H](C(=O)O)[C@@H]1C[C@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 38155053 RFSBZRWCRLFPFN-ZRNYENFQSA-N 387.426 4.007 0 1 GIAF COc1ccc(-c2csc(COc3ccc(OCC(=O)O)c(C)c3)n2)cc1 49021465 LFWPUOKHJZLFMV-UHFFFAOYSA-N 385.441 4.170 0 1 GIAF CCOC(=O)c1c(N)oc2c1c(Sc1ccc(F)cc1)c(O)c1ncncc12 73222299 IKESMCJEWVPHPX-UHFFFAOYSA-N 399.403 4.131 0 1 GIAF CC(=O)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 140141332 RUZUHHNQTOKDHR-UHFFFAOYSA-N 380.451 4.498 0 1 GIAF COc1cccc(-c2nccnc2C2CN(c3nccc(-c4ccccc4)n3)C2)c1 140185540 RBXRDVZQVIFZTG-UHFFFAOYSA-N 395.466 4.213 0 1 GIAF COCc1ncc(Cc2ccc3cccc(N)c3n2)c2cc(OC)c(OC)cc12 145134830 MZSMXMRPCCUQLG-UHFFFAOYSA-N 389.455 4.120 0 1 GIAF CC(C)CCN(C)C(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166959769 GHGQXMCZTANHJU-UHFFFAOYSA-N 383.467 4.492 0 1 GIAF CCS(=O)(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894544 LCIMTGHNLDOFFZ-UHFFFAOYSA-N 380.554 4.402 0 1 GIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cncc(OC)c2[nH]1 587034731 KIGLMXXFWFQKKK-CYBMUJFWSA-N 380.473 4.452 0 1 GIAF FC(F)(F)Oc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587040311 GZPJMWMYIPXCGR-CVEARBPZSA-N 379.407 4.408 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)C(F)(F)C1 587131661 AWNYGCAITUPHRM-CQSZACIVSA-N 377.435 4.411 0 1 GIAF Cc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Cl 587195656 GPFSRVGTBGCGMS-ZDUSSCGKSA-N 379.888 4.441 0 1 GIAF CC(C)(C)c1cccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c12 587204445 YSGIIAHZKVNCMK-KRWDZBQOSA-N 395.459 4.303 0 1 GIAF CCOC(=O)c1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587222164 YPGVJNXYCNWXFN-OAQYLSRUSA-N 399.450 4.259 0 1 GIAF Cc1cc2nc(CCNC(=O)OCc3ccccc3)[nH]c2cc1Br 587228793 RKFDFZGFDCBEIU-UHFFFAOYSA-N 388.265 4.103 0 1 GIAF COc1ccc(OCc2ccccn2)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587394653 XZHWXGZGGFVWGX-QFIPXVFZSA-N 390.439 4.266 0 1 GIAF CCOC(=O)[C@H](Cc1ccccc1C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399140 IHTKDQUNZKRDLF-MBSDFSHPSA-N 381.472 4.032 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(Br)c(C)cc1F)[C@@H](C2)C3=O 587422247 CLCRMCYJKIKNLN-KPZWWZAWSA-N 377.209 4.394 0 1 GIAF CCOC(=O)[C@]1(c2cccc3ccccc23)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444216 YMDSTWBPMHICFK-NTKDMRAZSA-N 388.419 4.054 0 1 GIAF C[C@@]1(CC(=O)NCCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587509496 DCWJWZXJXHDJIO-DEOSSOPVSA-N 377.484 4.038 0 1 GIAF CC(C)=CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583603 UDAMPLUAWZZGOA-HXUWFJFHSA-N 379.456 4.155 0 1 GIAF C[C@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591785 HOWQSXPNRQLMBW-NZQKXSOJSA-N 376.408 4.329 0 1 GIAF CC(=O)Oc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602899 ZMFHCSVUVXOAHZ-UGKGYDQZSA-N 376.364 4.020 0 1 GIAF COC(=O)c1c(Cc2cccc(C(F)(F)F)c2)[nH]c2c(C(=O)O)cccc12 587637205 DQZKDCMORBERCG-UHFFFAOYSA-N 377.318 4.262 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OC(F)F)nc2)N1 587713342 COJXEVFJAHGFKC-VXJOIVPMSA-N 387.199 4.208 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc(F)ccc32)N1 587731130 KNCLBWCXWUNBOK-YPMLDQLKSA-N 380.232 4.288 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cccn3)cc2)N1 587761213 UEOTVSJGVZTOII-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn([C@@H]3CCCCO3)n2)N1 587763987 NUVMGDOJNYIHTJ-DJCROIMJSA-N 394.288 4.107 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ccc(O)cc23)N1 587806839 WDFZKSIDJOLHMG-YYSFKGJASA-N 375.241 4.399 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)CCO3)N1 587837143 ZRWBCZXDOFPIBE-WLRWDXFRSA-N 376.269 4.321 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc2cccc(O)c2n1 587867781 ARPOWZVKZXQODJ-UHFFFAOYSA-N 386.333 4.216 0 1 GIAF CN(C)[C@@H](Cn1c(O)cc(-c2ccco2)c1O)c1cccc(Br)c1 587940439 OYWIEUFFFSGTFI-HNNXBMFYSA-N 391.265 4.225 0 1 GIAF CC(C)(CC(=O)O)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587955547 NAIKCFXYGKHWAH-UHFFFAOYSA-N 395.175 4.267 0 1 GIAF C[C@@]1(Cc2ccc(O)cc2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963188666 VSQOGIIBNMOBNV-KSSFIOAISA-N 399.796 4.121 0 1 GIAF CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1 1772587950 FMDLOMGRPSJQTO-GQKWOBABSA-N 396.575 4.022 0 1 GIAF FCCOc1ccc(CCN2CCN(CCc3ccccc3Cl)CC2)cc1 1857538106 IMPWOLJKWUYFFY-UHFFFAOYSA-N 390.930 4.091 0 1 GIAF O=C(Nc1ccc(C2=NCCN2)cc1)c1ccc2cc(Br)ccc2c1 1857628321 ZWWHHNFGZDWVHP-UHFFFAOYSA-N 394.272 4.204 0 1 GIAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ncccc3F)cc21 1857748670 PAAVMPPMNSWSSO-UHFFFAOYSA-N 393.374 4.177 0 1 GIAF COc1cc([C@@H]2c3c(cc4c(c3OC)OCO4)C[C@H](C)[C@@H]2C)cc2c1OCO2 2356655998 NZWRYANDYKYMPU-OAVHHTNSSA-N 384.428 4.121 0 1 GIAF COC(=O)[C@H](C)[C@H]1C[C@]1(C)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 6202058 BJOYJQPKUFGPMS-NNHNJENNSA-N 381.472 4.489 0 3 GIAF CS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc3c(c2)OCO3)cc1 3814668 GARKKXFHXDZJSG-UHFFFAOYSA-N 388.391 4.431 0 1 GIAF CN1C(=O)/C(=C\NCCCNc2ccnc3cc(Cl)ccc23)c2ccccc21 101404838 YQLAWAQPXJDHTO-JXAWBTAJSA-N 392.890 4.297 0 1 GIAF CC(=O)OC=CC(=COC(C)=O)[C@H](CC=C(C)C=CC=C(C)C)OC(C)=O 2356630740 BQBCCTYBKVNOPS-NRFANRHFSA-N 376.449 4.301 0 1 GIAF CCOc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 40011736 ILACXRALJHBPRH-OAHLLOKOSA-N 385.439 4.107 0 1 GIAF CCN(CC)C(=O)C1=C(C)Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 40933126 VTNIUHPPRHPOSS-QGZVFWFLSA-N 379.291 4.347 0 1 GIAF Cc1cc(F)ccc1Oc1ccc2c(-c3cc(C(N)=O)ccc3C)nncc2n1 138255600 FGPHNSWRZKDUOC-UHFFFAOYSA-N 388.402 4.339 0 1 GIAF COC(=O)c1cc(Br)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144861395 DKEVWCXRSMFEOF-HNNXBMFYSA-N 387.151 4.014 0 1 GIAF C[C@@H]([C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21CO)N(C)C 255271116 UCNIUVSOJLHWRM-LVEVNIPOSA-N 388.640 4.418 0 1 GIAF CCOC(=O)Nc1ccc2c(c1)N(C(=O)CN1CCCC1)c1ccccc1CC2 653813178 OAWIKSHPOMIRMQ-UHFFFAOYSA-N 393.487 4.114 0 1 GIAF O=C(NCc1ccc(-c2nc(=O)c3ccccc3[nH]2)cc1)OCc1ccccc1 584905654 SAIBPCDKEKGITF-UHFFFAOYSA-N 385.423 4.017 0 1 GIAF in-vitro COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587723518 ASUPZBWTQCZQGW-HUTHGQBESA-N 396.231 4.138 0 1 GIAF N[C@H](c1ccsc1)c1nc2cc(Br)c(Br)cc2[nH]1 587026458 XRKAMJHPHVSFLI-LLVKDONJSA-N 387.100 4.198 0 1 GIAF Oc1c(-c2ccccc2)cccc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 586897045 POYGFGDVZUJGMV-UHFFFAOYSA-N 385.467 4.435 0 1 GIAF O=C(O)/C=C/c1ccccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 586880699 BEBUYRYOPPHWDC-AATRIKPKSA-N 378.613 4.139 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1F)CC2=O 587470731 HOLPSFSXJYRHMP-UWJYYQICSA-N 393.455 4.028 0 1 GIAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cnncc2[nH]1 587086810 MGIBYEVPVVZXEP-VOTSOKGWSA-N 385.258 4.383 0 1 GIAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 587580510 IJNJHZIRPDHZED-RDPSFJRHSA-N 398.418 4.496 0 1 GIAF CCOc1cc(O)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587804399 ZEUGUHOHRLDOTA-YPMLDQLKSA-N 380.257 4.316 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc(-c3cccc(C(F)(F)F)c3)nc-2[nH]1 587112986 NAKUQNPCAIPHOF-UHFFFAOYSA-N 385.349 4.308 0 1 GIAF N=c1cc[nH]cc1-c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587249165 IOXRXLONERGTMV-UHFFFAOYSA-N 395.260 4.379 0 1 GIAF O=C1C[C@H](c2ccc(N3CCC(CO)CC3)cc2)Oc2c1ccc1c2CCCC1 587515168 QQKRTWTUZPTZSG-XMMPIXPASA-N 391.511 4.481 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3c(Cl)cnc(Cl)c3[nH]2)CCC(=O)CC1 587234966 ZQTQWMZYMNBRJU-UHFFFAOYSA-N 399.278 4.128 0 1 GIAF CCOC(=O)[C@]1(c2ccc(OC)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503374 GQKOOSWEJGHNBG-HSZRJFAPSA-N 398.430 4.137 0 1 GIAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(Br)c(C)c2[nH]1 586921785 FZPDSNWQIAWNTD-UHFFFAOYSA-N 379.279 4.094 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccco1)(c1coc4ccc(O)cc14)[C@@H](C2)C3=O 587455018 HOBVFCWGYDQTIV-QMHKHESXSA-N 388.375 4.431 0 1 GIAF O=C(Nc1ccc(-c2nc3cnncc3[nH]2)cc1)c1ccc(Br)cc1 586984514 RUQLHPPPRMRBPH-UHFFFAOYSA-N 394.232 4.035 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ccc1N)CC2=O 587457093 FBQCPMMXADCNKV-QGZVFWFLSA-N 376.250 4.396 0 1 GIAF O=C1C[C@@]2(CCC(=O)N(Cc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587514811 PMOLLCFOBQIFFA-VWLOTQADSA-N 389.495 4.482 0 1 GIAF CCCCN1C(=O)[C@@H](C(C)=O)[C@@]2(NCCc3c2sc(C)c3C)c2ccccc21 963007228 HERHHAHWWOYQGX-OFNKIYASSA-N 396.556 4.106 0 1 GIAF CCC1([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)CCOCC1 963181278 MRMYSJILJFSNCP-GJZGRUSLSA-N 391.817 4.206 0 1 GIAF CN1CCc2cn(C)nc2[C@]12CC(C)(C)N(C(=O)OC(C)(C)C)c1ccccc12 963955308 PDUMKMGSDDGGEK-HSZRJFAPSA-N 396.535 4.075 0 1 GIAF CC[C@@H](C)Oc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1Cl 962918627 IYXLSCPIPRHQMA-DQNAHFDYSA-N 377.843 4.345 0 1 GIAF COc1ccc(N)cc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1 13740876 GYKOWUGFJRYKTC-UHFFFAOYSA-N 399.466 4.206 0 1 GIAF COCc1cc2cc(OC)c(OC)cc2c(-c2ccc3c(c2)OCO3)c1C=O 6483137 OAJXGLZYGJVAHO-UHFFFAOYSA-N 380.396 4.212 0 1 GIAF biogenic CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)Nc2ccccc2SC)C1 12320001 GNIJRHDOSNGTNI-GOSISDBHSA-N 384.549 4.322 0 1 GIAF CCN(Cc1ccccc1)C(=O)c1ccc(C[S@@](=O)c2ccc(OC)cc2)o1 20514960 WJDBWUNCJJTUBR-NDEPHWFRSA-N 397.496 4.258 0 1 GIAF COc1ccccc1Nc1ncc2c(n1)CCN(Cc1cc(F)cc(F)c1)C2 21261341 GGVNQSOBJBQUSN-UHFFFAOYSA-N 382.414 4.065 0 1 GIAF O=S(=O)(N[C@H]1[C@H]2CC[C@@H]1Cc1ccc(F)cc1C2)c1ccc(Cl)s1 28348005 WXZPJLSSIKLDLT-BWACUDIHSA-N 385.913 4.013 0 1 GIAF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1ccncc1)CCCCC3 28968887 UMCMDCALLROMIL-UHFFFAOYSA-N 376.460 4.028 0 1 GIAF COc1cccc(CNC(=O)c2cnc(N3CCCCC3)c3ccccc23)c1 33073224 VURGXEJZDVZKIA-UHFFFAOYSA-N 375.472 4.164 0 1 GIAF O=C(NCc1ccccc1)c1cccc(NCc2cc(-c3ccncc3)on2)c1 35907271 OTNWPJUPTWXBRM-UHFFFAOYSA-N 384.439 4.279 0 1 GIAF O=C(c1ccc2ccccc2c1)[C@H]1NS(=O)(=O)c2ccc(Cl)cc2S1 40873454 FARANSPYYSFHIT-SFHVURJKSA-N 389.885 4.086 0 1 GIAF O=C(Nc1ccc2[nH]ncc2c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1 43203220 OXZXSTYRDKOYIB-UHFFFAOYSA-N 390.491 4.154 0 1 GIAF CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)/C=C/c1ccccc1 49784987 MPIAWVNZVMGWII-MFUYTVRRSA-N 376.408 4.132 0 1 GIAF COc1cc2nc(NC[C@H]3CCCO3)nc(NCCC(C)(C)C)c2cc1OC 82129855 YEGMUUMNQJBKSS-CQSZACIVSA-N 388.512 4.086 0 1 GIAF COc1cccc(C(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)c1 96922651 DKFWEGWUEWBSMF-UHFFFAOYSA-N 392.440 4.076 0 1 GIAF CCOC(=O)N1c2ccccc2N(C(=O)OCC)C1CC(=O)Cc1ccccc1 103286556 XQWRMADYTBGJSK-UHFFFAOYSA-N 396.443 4.154 0 1 GIAF CC(C)(C)C#Cc1cc(N2C(=O)COC[C@H]2C2CCCCC2)c(C(=O)O)s1 113826680 YZUAJMXGTYRFSP-KRWDZBQOSA-N 389.517 4.156 0 1 GIAF CN(C)C(=O)CCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144791679 ZLILNVVTVADWCX-FQEVSTJZSA-N 393.405 4.103 0 1 GIAF CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(N)=O)c3)cc12 149815470 FCSIGAZMCJFOHP-UHFFFAOYSA-N 388.398 4.364 0 1 GIAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@@H](c2cccnc2F)NC(=O)N1 206346877 NXQRZRJOOWCHQL-QGZVFWFLSA-N 391.431 4.001 0 1 GIAF O[C@H]1CC[C@H](Nc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1 299819607 ATMAGFPFVYJWHA-HDJSIYSDSA-N 392.381 4.010 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(SC)ccc3[nH]2)cc1 586939902 TZLYGIDSJQEKDV-GFCCVEGCSA-N 375.519 4.029 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120532 NGPFNSCDHWRDMK-UHFFFAOYSA-N 388.349 4.231 0 1 GIAF COc1nccc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c12 587145072 SZMJOCHHVLGXCI-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587175967 YSYQWYFGUXLWSO-CYBMUJFWSA-N 378.329 4.324 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)cc1N(C)C)[C@@H](C2)C3=O 587413754 PTDMQGUJPMCFQL-IFXJQAMLSA-N 388.261 4.012 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccncc1)(c1cccc(Cl)c1)[C@@H](C2)C3=O 587421622 VHHCMLQGCOTPRT-PGRDOPGGSA-N 377.827 4.435 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCN(Cc4ccccc4)C(C)(C)C1)[C@@H](C2)C3=O 587439898 XJGZXGDELXPLHS-YADARESESA-N 377.484 4.256 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(Cl)c(Cl)cc21 587462994 SLNSLNWRMSRKQL-IBGZPJMESA-N 392.238 4.464 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCF)cc1 587552587 AXEOPYRVINGMRC-DENIHFKCSA-N 380.371 4.443 0 1 GIAF CN(C)/C=C/[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570110 IBADXWVBGZEPDJ-CMXTYJTBSA-N 387.435 4.325 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2=COCC2)(C(F)(F)F)N1 587709337 LBSXKHLJSBIUEG-RMLUDKJBSA-N 380.179 4.184 0 1 GIAF CNc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1N 587743564 OWEOALJTKCTENN-MLCYQJTMSA-N 378.289 4.010 0 1 GIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 587785082 LDLVRFZMNMPLQL-KGLIPLIRSA-N 376.334 4.405 0 1 GIAF Cc1ccc(C(=O)Nc2cccc(-c3cnc4c(N)nccn34)c2)cc1Cl 653687416 DDXZAEPQEGPGLR-UHFFFAOYSA-N 377.835 4.193 0 1 GIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12C=CN(CC(=O)O)c1c(F)cc(F)cc12 963244356 WFXINXQROUFDJR-NPMXOYFQSA-N 398.453 4.283 0 1 GIAF CN1CCc2c(Br)cccc2[C@]1(C)c1ncccc1Br 963280788 OVPNGKISAONUDZ-MRXNPFEDSA-N 396.126 4.358 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CNC1CCCC1)c1ccc(F)cc1 963634097 JDAYCDFNBSECSD-FYSMJZIKSA-N 398.522 4.153 0 1 GIAF CN(C)Cc1ccc(CSCCN2C(=O)c3cccc4cccc(c34)C2=O)o1 1772605797 FTVPEZRHKZRFIN-UHFFFAOYSA-N 394.496 4.024 0 1 GIAF C[C@]1(C(=O)NCc2cccc3ccccc23)CCN1C(=O)C1(c2ccccc2)CC1 61907146 KMNYMWXQCSTHDK-RUZDIDTESA-N 398.506 4.179 0 3 GIAF CC(C)C[C@@H]1NC(=O)c2cc(Cl)ccc2-n2c1nc1ccc(F)cc1c2=O 61949352 CPCNKQYXBGCLKZ-INIZCTEOSA-N 385.826 4.009 0 3 GIAF CC(C)CCOc1ccc(C(=O)CCN[C@H](CC(=O)O)c2ccccc2)cc1 2922275 IZFAOMJBZAXUKC-OAQYLSRUSA-N 383.488 4.490 0 1 GIAF COc1ccccc1CN1CCCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 3955784 RJTQXEDGFYOBDM-UHFFFAOYSA-N 396.506 4.353 0 1 GIAF C[C@]12CC[C@@H]3[C@H]4CC[C@](O)(C(F)(F)F)C[C@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)CO 3994212 GNUGUWQBSPMCQI-UDIGXYHRSA-N 388.470 4.110 0 1 GIAF CC[C@H](C)CNCCCNCCCCCCCNCCCNC[C@H](C)CC 6411730 KZZXDUXDKDXVNI-ZRZAMGCNSA-N 384.697 4.168 0 1 GIAF Clc1cccc2c1C[C@@H]2CCCN1CCN(c2cccc3c2OCCO3)CC1 13743683 FEVCJLJTGFXWDA-KRWDZBQOSA-N 398.934 4.353 0 1 GIAF Cc1cc(C)n2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2n1 13861593 ZPIGMVKWDIWIQJ-UHFFFAOYSA-N 395.459 4.223 0 1 GIAF COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@H](c1ccc(F)cc1)O2 26175451 JFBQVFCNTWRGTG-NRFANRHFSA-N 399.443 4.355 0 1 GIAF Cc1ccc([C@H](CCN(C)C)NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 28653957 YGHUNFFFQIJFLS-IBGZPJMESA-N 378.438 4.366 0 1 GIAF Cc1nc(Nc2ccc(F)cc2)nc(N2CCc3ccccc3[C@H]2C)c1CO 45196382 HAASDWOKLDBJAK-OAHLLOKOSA-N 378.451 4.284 0 1 GIAF Cc1nc2cc(OCc3cc(C(=O)NCc4ccccc4)no3)ccc2s1 45291682 BHIGRCPUJMMBOE-UHFFFAOYSA-N 379.441 4.102 0 1 GIAF COc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nc1 49113005 LPRKPVQIINGULW-UHFFFAOYSA-N 388.895 4.226 0 1 GIAF O=C(NCC1[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1cc(Cl)cc(Cl)c1 66128523 HJUXXQNHURWWST-YQQQUEKLSA-N 375.299 4.101 0 1 GIAF CC(C)n1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82224423 GNZRAFFZUGGOOP-KRWDZBQOSA-N 390.572 4.204 0 1 GIAF C[C@@]1(c2cccc(NC(=O)c3ccc(C(F)(F)F)cn3)c2)CCSC(N)=N1 96174384 LIIKCMUGEUYUSJ-KRWDZBQOSA-N 394.422 4.020 0 1 GIAF COc1ccc(-c2cc(=O)c3cc([125I])ccc3o2)cc1 102182515 BYDBCAPACOXVEH-QZIRHQCUSA-N 376.166 4.073 0 1 GIAF COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)C(C)(C)c3nnsc32)cc1 103278527 ZRAXYGBQUWQSFZ-HKUYNNGSSA-N 381.501 4.267 0 1 GIAF O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3 143481630 VHPIEBZXABLQCJ-UHFFFAOYSA-N 382.268 4.218 0 1 GIAF CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCN(C)C)cc12 168928562 PQVHFEKLJWXGDR-UHFFFAOYSA-N 380.488 4.115 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC(=O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2OC(C)=O)C1 169290470 ICLVBZVECAGRBZ-FEQOUAIHSA-N 390.520 4.072 0 1 GIAF CN(c1ccccc1)c1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1 203004190 OOYUUZSAQJISHP-UHFFFAOYSA-N 385.269 4.351 0 1 GIAF Cn1c(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)cc2ccccc21 221446560 DFYRCCVSCDGPDI-UHFFFAOYSA-N 383.455 4.134 0 1 GIAF Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2cnn3cccnc23)cc1 473130094 JLRKEKVOGMOTDY-UHFFFAOYSA-N 394.438 4.143 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2c1 587108555 BBNUZPQXDPBXGY-UHFFFAOYSA-N 392.333 4.053 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(C)cc1 587205995 IMSYEVCWCVMOGN-HNNXBMFYSA-N 377.366 4.190 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(Cl)nc(SC)nc1Cl)[C@@H](C2)C3=O 587451136 JHSPTLLXQPTKFX-SDBXPKJASA-N 383.256 4.003 0 1 GIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(F)c1F 587559854 ZSHKSIJCUHCMPZ-UTKZUKDTSA-N 384.334 4.382 0 1 GIAF C[C@@]1(c2ncc(F)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566806 AQNDBHVADVCBNZ-OXJNMPFZSA-N 385.778 4.457 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1[nH]c2nccc-2cc1F 587567186 FXLJNVUQUXOMDR-JXFKEZNVSA-N 376.343 4.062 0 1 GIAF CCN(C)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587742931 VBNSMCATPGHUCH-ADLMAVQZSA-N 378.289 4.063 0 1 GIAF Cc1ccnc2c1c([C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)cn2C 587754948 FXFUFHZZJDXSCK-ZMZPIMSZSA-N 388.284 4.407 0 1 GIAF COc1cccc2c1OCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587836454 VELRCXPQJBADBO-WYRIXSBYSA-N 392.268 4.157 0 1 GIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C)c(Br)cc3[nH]2)cc1 587938101 SDSQYCOMCHFEMX-DIFFPNOSSA-N 375.266 4.480 0 1 GIAF CCCN(CCC)C(=O)c1c(C)c2c(C(=O)OCC)ncn2c2ccccc12 653831338 RSRGLHYGXQNKIH-UHFFFAOYSA-N 381.476 4.235 0 1 GIAF O=C1CC[C@]2(NCCc3cccc(-c4ccccc4)c32)c2cccc3c2N1CC3 962664835 HTADYSZPSQGTCE-SANMLTNESA-N 380.491 4.426 0 1 GIAF CN(C)C(=O)c1ccc2c(c1)[C@](C)(c1ccc3c(c1)-c1ccccc1C3)NCC2 962925426 MPEUVLSSNKGRDG-SANMLTNESA-N 382.507 4.369 0 1 GIAF COc1cccc2cc3c(nc12)[C@@H](c1cn(C)nc1C1CCCCC1)NCC3 963051365 DTLLLUHHXNWRAR-HSZRJFAPSA-N 376.504 4.260 0 1 GIAF O=c1ccc2cc3ccoc3c(OCc3nncn3-c3ccccc3Cl)c2o1 1772618554 LGCILVUMDQXUKB-UHFFFAOYSA-N 393.786 4.352 0 1 GIAF CC(C)n1cc(CC(=O)N(C)C[C@@H]2CCCN3CCCC[C@@H]23)c2ccccc21 2356576089 NRICPCTZSCWHAW-UGKGYDQZSA-N 381.564 4.488 0 1 GIAF CCOP(=O)(OCC)[C@](C)(CC)NC(=O)C(C(F)(F)F)C(F)(F)F 3589144 AXLQQLMINZHZAL-SNVBAGLBSA-N 387.257 4.236 0 1 GIAF O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]1c1c2cccc1N1CCOCC1 103062789 NHEXLHUDZFZFTD-RXVVDRJESA-N 378.472 4.094 0 3 GIAF O=C(CN1C(=O)CCSc2ccccc21)Nc1ccc(Cl)c(Cl)c1 9345486 QSCLHMXNNMXECI-UHFFFAOYSA-N 381.284 4.461 0 3 GIAF COC(=O)c1ccc(COc2cc(Nc3nccc(OC)n3)ccc2Cl)cc1 103248586 PNSPFZPEHHNYEU-UHFFFAOYSA-N 399.834 4.248 0 1 GIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/c2cccn2C)c1 28456791 HCZDYNOGKVDELH-OUKQBFOZSA-N 389.499 4.052 0 1 GIAF O=C(Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)NC1CCCC1 66112241 JUCJQZNUMLLICR-UHFFFAOYSA-N 391.437 4.371 0 1 GIAF COC(=O)[C@@H]1CC[C@H]2[C@@]3(CC[C@H]4C(C)(C)CCC[C@]42C)[C@H]1CO[C@@H]3OC(C)=O 2356478163 VAPHQACZBDNZOJ-RIHBGWOXSA-N 392.536 4.334 0 1 GIAF CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356532640 RRIGGXWWSAHMHN-NUDIJZITSA-N 376.537 4.281 0 1 GIAF CC(=O)Nc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O 114713324 VJQOPMPEYJMRSB-UHFFFAOYSA-N 396.535 4.105 0 1 GIAF COc1ccccc1-c1cn2c(-c3c(F)cc(C)cc3F)c(CN)c(C)nc2n1 35794149 YPYPVRFZWSEXSI-UHFFFAOYSA-N 394.425 4.426 0 1 GIAF CC[C@@H]([C@@H](C)O)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72100923 PMNPDZIPKKSQML-XGRCMKMKSA-N 387.955 4.038 0 1 GIAF COCCSc1ccc(C[C@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1 45320624 POZWNJMOJKSPRM-MGPUTAFESA-N 379.953 4.333 0 1 GIAF CC(=O)N1N=C(Nc2nc3ccc(Cl)cc3s2)C[C@@H]1c1ccc(O)cc1 45289351 PFQCSBQLNWDEGA-OAHLLOKOSA-N 386.864 4.374 0 1 GIAF CCCCNc1ncc(-c2ncc(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82166484 MSTMZRGZJIUEEB-UHFFFAOYSA-N 398.463 4.345 0 1 GIAF O=C(C1CC1)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 96318658 NKAKJWSSNAIWPI-UHFFFAOYSA-N 385.511 4.250 0 1 GIAF Cc1cccc(C(=O)N[C@@]2(C(=O)O)Cc3ccc(F)cc3C2)c1C1=CCCC1 146512658 SSCNSRFCMRTGIA-QHCPKHFHSA-N 379.431 4.053 0 1 GIAF CC1(C)C[C@H]1COc1cc(C(F)(F)F)ccc1C(=O)Nc1cc[nH]c(=O)c1 143251555 FCWGDENQRAUXMY-LBPRGKRZSA-N 380.366 4.071 0 1 GIAF C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CCC2(CC2)C(N)=N1 96929122 RAZJMBZQZOFYHI-IBGZPJMESA-N 386.858 4.273 0 1 GIAF O=C(O)c1cc(S(=O)(=O)Nc2cccc3ccccc23)c2ccccc2c1O 653724811 YZODXDPPIXBQFA-UHFFFAOYSA-N 393.420 4.198 0 1 GIAF CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587801316 JTUWSJFOXMAGSZ-YPMLDQLKSA-N 380.257 4.316 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OCC)[C@@H]1Oc1ccccc1 587480031 MWRGEWBFWIEZSZ-AKIFATBCSA-N 382.456 4.305 0 1 GIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)cc1O 587547974 VPLSGQQLBWBTEC-WIYYLYMNSA-N 398.798 4.463 0 1 GIAF CC(=O)Nc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587741188 GGUOFRAIYLBZLF-MLCYQJTMSA-N 377.257 4.170 0 1 GIAF CCCC(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343762 KMTMYVLCVAOATD-OAQYLSRUSA-N 397.446 4.052 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@@]34CCOc3ccc(OC)cc34)nc2c1 586917262 RVVOJPFRHSSLGT-LHSJRXKWSA-N 398.846 4.219 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/N(C)C)(c2ccccc2)N1 587738781 CVHJDPXHXCXXGG-CBOOEUKESA-N 389.312 4.441 0 1 GIAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(Br)c(C)nc3[nH]2)c1 587050487 OKPXBHPQLBDWJK-UHFFFAOYSA-N 379.645 4.308 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1nccn1-c1ccc(OC)cc1)CC2=O 587470218 JKNBOIINQCDCPN-HXUWFJFHSA-N 378.428 4.246 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nnc(Cl)c(C)c1C 587868514 NXEDZLZWZILYFI-UHFFFAOYSA-N 383.761 4.022 0 1 GIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](C(=O)C(F)F)CCC3 586987519 YCBRPOWYQBRCCP-CYBMUJFWSA-N 379.362 4.406 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O 587423140 RIGCMGLMLRSUHM-HNAYVOBHSA-N 378.346 4.343 0 1 GIAF CC(C)COc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1Br 586960115 SIDUZYFZEMUQLS-JOCHJYFZSA-N 385.327 4.019 0 1 GIAF COc1cc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587719332 PQSQOMRKRKKTML-YYSFKGJASA-N 398.247 4.368 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ncccc1C 587863846 BCVXHBAOHPCUIE-UHFFFAOYSA-N 375.350 4.360 0 1 GIAF CCOC(=O)[C@H](C(C)C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799881 UPXOUZWRLCKJQF-KQYVJACZSA-N 386.305 4.173 0 1 GIAF CC1CCN(CC(C)(C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587581856 JIBOVDBNVBJPQR-OFNKIYASSA-N 395.499 4.481 0 1 GIAF O=C(Cn1nc(C(F)(F)F)cc1C1CC1)n1nc2cc1Oc1ccc(F)cc1-2 587873854 KNYNZAVVELOTKV-UHFFFAOYSA-N 392.312 4.228 0 1 GIAF N[C@H](NC1CC1)c1ccc(-c2ccc(-c3ccc([C@H](N)NC4CC4)cc3)o2)cc1 19329488 YKBBTHHMEIPZMC-DNQXCXABSA-N 388.515 4.032 0 1 GIAF in-vitro COc1ccc2c(c1)CCN[C@@H]2CCCC[C@H]1NCCc2cc(OC)ccc21 169325970 ODNILEIXZDOZKV-DNQXCXABSA-N 380.532 4.338 0 1 GIAF c1ccc(OCCNC[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 1857557497 PQBBZRKWIUYSHV-ZCYQVOJMSA-N 389.495 4.229 0 1 GIAF CCOC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 1857564649 RTVRSLTWIXCRHF-QGZVFWFLSA-N 384.432 4.020 0 1 GIAF CCC[C@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 1541444 WWBFZYCBBNBEBA-QGZVFWFLSA-N 382.460 4.386 0 1 GIAF CN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1 1657337 BUFGEOWFEWGNLG-QZTJIDSGSA-N 385.335 4.238 0 1 GIAF COc1ccc2c(c1)CCc1c(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)noc1-2 2466037 ACSOCEKWTHPJOF-IQMFZBJNSA-N 380.488 4.490 0 1 GIAF C[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1cccc(N2C[C@@H](C)O[C@H](C)C2)c1 26743331 SJGNGOUFWLNZRG-RPOFVFNASA-N 382.479 4.330 0 1 GIAF COc1cccc(CN(Cc2cccc(OC)c2)c2ccc3nc(N)[nH]c3c2)c1 28975662 LDQSJEXQFRGZMM-UHFFFAOYSA-N 388.471 4.369 0 1 GIAF O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=C/[C@@H](O)[C@H]3CCc4ccccc43)[C@H](O)C[C@H]2C1 40676646 GNAKQYNBEYESRS-JHGXKQGGSA-N 396.527 4.222 0 1 GIAF OCCCOc1cc(Nc2nccc(-c3nccs3)n2)cc(C(F)(F)F)c1 40897766 UNGHXZVJQQABCA-UHFFFAOYSA-N 396.394 4.124 0 1 GIAF Clc1ccc(-c2nc(N3CCOCC3)nc3c2CCc2ccccc2-3)cc1 45291067 URWGPBUCTNYJFF-UHFFFAOYSA-N 377.875 4.399 0 1 GIAF Cc1csc(CN(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)n1 66148537 BYMPGMQLSBLSIU-UHFFFAOYSA-N 390.468 4.427 0 1 GIAF COc1ccc(C(=O)[C@@H](C)Oc2ccc(Br)cc2OC)cc1OC 95597004 FDOWKVKUAXAFPC-LLVKDONJSA-N 395.249 4.125 0 1 GIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccccc1OC(F)F 104115907 LDQQYZZTDUCYCD-RIBQPWQFSA-N 378.379 4.161 0 1 GIAF Cc1[nH]c2ccc(C(=O)NCCCCCC(=O)Nc3ccccc3N)cc2c1C 117581601 DANZYJBKMXPFSD-UHFFFAOYSA-N 392.503 4.296 0 1 GIAF Cn1cc(-c2cnc3onc(C(F)(F)c4ccc5ncccc5c4)c3c2)cn1 166098936 STCFVXQDUHPTDH-UHFFFAOYSA-N 377.354 4.312 0 1 GIAF CC(C)Oc1cccc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3C(C)C)n2)c1 221308034 YUPRSLUIBYYZEA-MAUKXSAKSA-N 384.480 4.418 0 1 GIAF O=C(O)CCCCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1 473109841 TUUWSTKEYLOOLY-UHFFFAOYSA-N 398.411 4.285 0 1 GIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C)c(C)c4[nH]3)CC2)cc1 586955548 QKLYQJYOJYRSSF-UHFFFAOYSA-N 383.517 4.056 0 1 GIAF Cc1cc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c(C)n1 586966185 IXFPKRRQRFMCSR-UHFFFAOYSA-N 390.516 4.384 0 1 GIAF Brc1cc2c(cc1/C=C/c1nc3cc4cn[nH]c4cc3[nH]1)OCO2 586998678 ODWHOTRLYDBMLD-OWOJBTEDSA-N 383.205 4.101 0 1 GIAF Brc1ccc2cc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cn2c1 587006959 VIOOUDPMVPCJJL-UHFFFAOYSA-N 384.233 4.406 0 1 GIAF Clc1ncc(Br)c2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587017489 XFSKURCAPGXPRK-QMMMGPOBSA-N 385.674 4.349 0 1 GIAF COC(=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587038734 BLVBVRWCLKZGLF-UHFFFAOYSA-N 386.498 4.407 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(C)nccc3[nH]2)c1 587047945 CSFCGOQJXWYGFB-UHFFFAOYSA-N 399.882 4.230 0 1 GIAF CCOC(=O)[C@]1(c2ccc(F)cc2)CCc2nc3cccc4c3c(c2C1)CC4 587212108 CKORXWBQJZRRLA-XMMPIXPASA-N 375.443 4.462 0 1 GIAF COc1ccc(C)cc1NCCCc1nc2ccnc(Br)c2[nH]1 587229497 YDJMLYLOVZUORA-UHFFFAOYSA-N 375.270 4.082 0 1 GIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(Cl)cnc4[nH]3)c2)c1 587232626 WTGSQOGYKLWQBP-UHFFFAOYSA-N 376.847 4.229 0 1 GIAF CCN1CCC[C@@H]1Cn1c(C)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587388649 FBQPGUKVODGYEG-VGSWGCGISA-N 381.520 4.186 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)c(F)c(C=O)c(F)c1F)CC2=O 587465280 GKZRJIMLFPHXQG-CYBMUJFWSA-N 382.309 4.420 0 1 GIAF Cc1cccc2c1OC(C(=O)O)=C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587529965 CTVMBXQELYBGOY-HSZRJFAPSA-N 376.408 4.095 0 1 GIAF CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O 587604661 VEASUAYMNPSCQR-JNSQDOHPSA-N 378.424 4.118 0 1 GIAF CCOC(=O)c1ccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587876069 KVKQNYNOEWQYKY-UHFFFAOYSA-N 383.404 4.217 0 1 GIAF COc1ccc(CCCc2nc3ccc(Br)c(O)c3[nH]2)cc1OC 587927478 VCIOHTLXTOYRFZ-UHFFFAOYSA-N 391.265 4.224 0 1 GIAF COc1c(Cc2ccccc2)cc(O)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587946581 WLSGGMDRYTXDRY-SFHVURJKSA-N 388.370 4.415 0 1 GIAF COc1ccc([C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1OC(F)(F)F 963582121 PGGVHSNLDOIVCC-JEOXALJRSA-N 397.393 4.235 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)O)[C@@]4(C)CC(=O)[C@@H]32)C1 36386571 KWOUHQLFAVONNL-OYEMZFSRSA-N 376.537 4.137 0 3 GIAF biogenic N[C@@H](CCc1ccccc1)c1csc(Nc2nccc(C(F)(F)F)n2)n1 61904530 FBUIKIRKUBMRAF-LBPRGKRZSA-N 379.411 4.328 0 3 GIAF COc1ccc(CN[C@@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 2492520 KKUDLILTHUOJKT-HXUWFJFHSA-N 380.488 4.110 0 1 GIAF CCc1cc(=O)oc2cc(OCc3ccccc3/C(=C\OC)C(=O)OC)ccc12 103181161 RYPVUQICRYBDBP-XSFVSMFZSA-N 394.423 4.095 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4)cc(Cl)c31)[C@H]1CC[C@H](C2)N1 100632750 AWUGQHJDRNZLDK-SJKOYZFVSA-N 386.904 4.014 0 1 GIAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1)c1ccccc1 103292586 LAZQUFCLSFRUGS-QGZVFWFLSA-N 384.752 4.447 0 1 GIAF CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)Cc3sc(C)nc3[C@H](C)[C@@H]2[C@H]1O 2356313762 YFVIBFOAEBKBDI-WYOMPKRTSA-N 378.582 4.009 0 1 GIAF COc1c(O)ccc(CCC(=O)C[C@H]2C[C@@H](C)CCO2)c1-c1ccc(CN)cc1 2356727111 HLCZCZIBZRBAOS-HRAATJIYSA-N 397.515 4.233 0 1 GIAF Cc1nc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)no1 38215134 BRLKYKRCBSWGPU-UHFFFAOYSA-N 376.441 4.350 0 1 GIAF COc1ccc(SC[C@H](O)Cn2c3c(c4ccccc42)CCC3)c(OC)c1 84708836 LMQRWKYAHZUIQG-OAHLLOKOSA-N 383.513 4.300 0 1 GIAF Cc1ccc(Cc2n[nH]c3cc(O)c(C(=O)N(C)Cc4ccccc4)cc23)cc1 84655269 MOYYATLOUPSVBY-UHFFFAOYSA-N 385.467 4.440 0 1 GIAF CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccc(F)cc2)n1 82140472 XTXWPIDYXAERSH-IRXDYDNUSA-N 398.526 4.493 0 1 GIAF COc1cccc(-c2cc(N[C@@H](CCO)c3cccc(OC)c3)nc(C)n2)c1 142010545 IODNXJHAGUWVGQ-FQEVSTJZSA-N 379.460 4.005 0 1 GIAF O=C(c1ccc(Oc2ncccc2Br)cc1)c1nc2ncccc2[nH]1 143781992 KKUXQFDOEXDETE-UHFFFAOYSA-N 395.216 4.139 0 1 GIAF CCOc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nn1 474609771 UVTJPCSJUJCXKL-UHFFFAOYSA-N 390.390 4.227 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCN2C(=O)OC(C)(C)C)N1 587760450 JZSTZXSRGIGXGS-GTTSAUCSSA-N 399.304 4.173 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCF)cc1 587552588 AXEOPYRVINGMRC-KNQAVFIVSA-N 380.371 4.443 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2csc(C(=O)O)c2)N1 587847914 MSVNITROESSLSR-BCTVWOGZSA-N 384.270 4.146 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]([C@@H]2CCCC2=O)(C(F)(F)F)N1 587709960 PKZNRIOSYCOCGE-FFIJEWMLSA-N 394.206 4.249 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1OCCCO2 587607095 FYOXLRAROSLHDW-WMZHIEFXSA-N 390.391 4.256 0 1 GIAF Oc1ccc(Cc2c(-c3c(O)cc(O)cc3O)nc3cccc4c3c2CC4)cc1 587215969 QHHXGLRHUSCOHD-UHFFFAOYSA-N 385.419 4.414 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(C)=O)Cc3cc(F)ccc31)CC2=O 587472593 RTWVTGAYNKAMHR-HSZRJFAPSA-N 397.446 4.097 0 1 GIAF COc1ccc(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587661213 URQRVNPIYVIXBY-UHFFFAOYSA-N 388.398 4.094 0 1 GIAF CSc1ncc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587846240 PPGONFVJWYCFFC-HUTHGQBESA-N 396.329 4.206 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(O)cc1O 587540486 AQLIWNAZDDZVDN-YLJYHZDGSA-N 384.771 4.160 0 1 GIAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Cl)c(Cl)cc2[nH]1)C(C)C 586933022 LQXMPNQKBFITQK-CQSZACIVSA-N 378.325 4.286 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCCn3ccnc3)c1)CC2=O 587470845 MOKHEBMYSKILGV-JOCHJYFZSA-N 392.455 4.327 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1nccnc1-c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419356 DUXHEXZEYGUSIC-BTYIYWSLSA-N 378.815 4.294 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nn(C)c3ccccc23)N1 587765213 RVFQMMMJUJPJGM-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF Cc1c(C(F)(F)F)n[nH]c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587718564 IWQRBIDKQLOTDX-UANNBLPKSA-N 392.194 4.262 0 1 GIAF Cc1cnc(Cl)c2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc12 587222173 YSZUSPALHXEBKX-KRWDZBQOSA-N 376.847 4.439 0 1 GIAF Cc1nc2ccccc2nc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588963 VXNVEBMVQGJLBG-AUSIDOKSSA-N 384.391 4.347 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccc(N)cc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427914 JUBQWASPPXLKIZ-WMZHIEFXSA-N 375.399 4.108 0 1 GIAF COc1cccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586966133 GUBLSVVOZMIIEG-UHFFFAOYSA-N 391.500 4.381 0 1 GIAF CCOC(=O)[C@H]1CCCCCC[C@@]12NCCc1cc3cccc(OC)c3nc12 963062969 YOPKPMJPCOEMPX-WZONZLPQSA-N 382.504 4.118 0 1 GIAF CCOC(=O)C[C@@]1(C2CCCCC2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962637242 WAIDWLPKNKDPJN-WAIKUNEKSA-N 389.536 4.309 0 1 GIAF CN1CCc2cn(C)nc2[C@@]1(Cc1ccccc1)c1ccccc1C(F)(F)F 963954269 ILWMYVNAHHCKFP-OAQYLSRUSA-N 385.433 4.413 0 1 GIAF COc1cccc2cc3c(nc12)C1(CCC(CN)(c2ccccc2)CC1)NCC3 963056025 KQZSJNRPLDIIRL-UHFFFAOYSA-N 387.527 4.055 0 1 GIAF O=C(O)[C@H]1C[C@@H]1C(=O)c1ccc(N(Cc2ccc(Cl)cc2)CC2CC2)cn1 1772606070 PAOZWAQANPGPSX-ROUUACIJSA-N 384.863 4.055 0 1 GIAF O=C1c2ccccc2CCCN1CCN1CCC(Oc2ccc(Cl)cc2)CC1 13488306 ZEPGFLMTNATXHY-UHFFFAOYSA-N 398.934 4.272 0 1 GIAF COc1ccc(CN2CCC(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1 13860169 YNUOGMCLPCOTIC-SFHVURJKSA-N 378.516 4.275 0 1 GIAF CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169358567 GYORZCSFWWIIFC-CLKHMLALSA-N 388.596 4.382 0 1 GIAF O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1ccc(C2CC2)c(OCC2CC2)n1 207736490 RELOIFPKIPXYHO-KRWDZBQOSA-N 391.393 4.176 0 1 GIAF Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NS(=O)(=O)C(F)(F)F 1857533631 LERFSKILNBXMAL-UHFFFAOYSA-N 392.786 4.162 0 1 GIAF CN=c1nc(NCc2cccc(OC)c2)c2sc(-c3ccccc3)cc2[nH]1 1857586820 ZNYMHRRXHDRHOA-UHFFFAOYSA-N 376.485 4.443 0 1 GIAF c1cncc(Nc2ncnc3ccc(-c4cccc(N5CCOCC5)c4)cc23)c1 1857631477 VOSNYHJCIWBJFH-UHFFFAOYSA-N 383.455 4.272 0 1 GIAF O=S1(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c2[C@@H](O)C1(F)F 1857748130 FBBOQBWKDLBPEF-CYBMUJFWSA-N 398.280 4.108 0 1 GIAF CC1(C)CC(=O)c2cc(C(=O)Nc3ccccc3)c(=O)n(-c3ccccc3)c2C1 2469742 VHZNGWXBZWJHRQ-UHFFFAOYSA-N 386.451 4.245 0 1 GIAF COc1cc2c(c(OC)c1)C(=O)[C@H](CC1CCN(Cc3ccccc3)CC1)C2 3814278 VSALTLNPKJOGHE-HXUWFJFHSA-N 379.500 4.361 0 1 GIAF C[C@@H]1[C@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 105518632 VEINRYGCKDRNLM-DURYTUKUSA-N 380.488 4.064 0 1 GIAF O=C1NCN(c2ccccc2)C12CCN([C@@H](c1ccccc1)C1CCCC1)CC2 28886097 KBBASJSNJUAETB-QHCPKHFHSA-N 389.543 4.346 0 1 GIAF CCS(=O)(=O)Nc1ccccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 224733038 FYKCQUKGGSQHFV-UHFFFAOYSA-N 396.447 4.193 0 1 GIAF Cc1cn(CCCn2c(=S)[nH]c3sc4c(c3c2=O)CCCCCC4)cn1 138362871 BGDPLDYXJZZLFQ-UHFFFAOYSA-N 388.562 4.375 0 1 GIAF Cc1ccc([C@](CC[C@H](N)C(=O)O)(c2ccccc2)c2cccc(O)c2)cc1 95580988 IWSYHPMWULTFDC-UPVQGACJSA-N 375.468 4.227 0 1 GIAF COc1cc(C(=O)c2c(-c3cccnc3)[nH]c3ccccc23)cc(OC)c1OC 95595440 GNWJKZGXQCEDIU-UHFFFAOYSA-N 388.423 4.487 0 1 GIAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(C4(O)CCC4)ccc3F)nnc12 145743446 PUOYLPXSDKMJBT-UHFFFAOYSA-N 389.434 4.036 0 1 GIAF O=c1cc(CO)oc([C@@H](c2ccc(Cl)cc2)c2c[nH]c3ccccc23)c1O 299831998 PKMBVHGXICDRRD-IBGZPJMESA-N 381.815 4.153 0 1 GIAF Nc1nccn2c(-c3cccc(NC(=O)Nc4ccc(F)c(Cl)c4)c3)cnc12 653703958 REBADFZOZBJSFS-UHFFFAOYSA-N 396.813 4.415 0 1 GIAF CCOc1ccc(-c2nn(C(=O)C(C)C)c(=O)c3ccccc23)cc1OCC 587671156 KSSRYYBXEJGGDN-UHFFFAOYSA-N 380.444 4.157 0 1 GIAF Cc1cncc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c12 587232452 URMABCMBBJLRAR-UHFFFAOYSA-N 379.464 4.230 0 1 GIAF COc1ccccc1C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600702 PFVDTBRHFDUPED-NFBKMPQASA-N 376.408 4.364 0 1 GIAF COc1cc(/C=C\c2nc3cc(F)cc(C(=O)O)c3[nH]2)ccc1Br 586977067 MYQFQGVYYDGQAJ-HYXAFXHYSA-N 391.196 4.342 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc3ccc(F)cc3[nH]2)N1 587736398 VWOQTPJOBAXSLJ-LZVRBXCZSA-N 392.247 4.401 0 1 GIAF C[C@@H]1O[C@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586916610 AZWDKLULQIRAHL-VXJOIVPMSA-N 379.313 4.433 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)c2ccc(F)cc2)N1 587727641 BYRKANWQAMLZIC-MGNBDDOMSA-N 380.232 4.360 0 1 GIAF Oc1ccc(C2(c3nc4cc(Br)c(F)cc4[nH]3)CCOCC2)cc1 586913602 RCJKMWRLBDKRPG-UHFFFAOYSA-N 391.240 4.267 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CCC(=O)[C@@]3(C)CC2)N1 587818645 RQMNGIJQFSMMBH-VMKIBOBSSA-N 378.285 4.407 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(O)cc3[nH]1)N2 587032454 SXBBNXVOASOQGO-FBWGLTFQSA-N 386.502 4.395 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccccc2)[nH]1 587587850 IJZGWVBMHNQPQJ-DENIHFKCSA-N 384.391 4.485 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCN2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596307 QSCSDQVVAPXYMX-NFBKMPQASA-N 389.407 4.074 0 1 GIAF CCOC(=O)C[C@]1([C@H](C)CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594778 IZHDXOAGAAEMEY-JSVDNDDVSA-N 384.428 4.092 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1c(C)cc(C)cc1C)[C@@H](C2)C3=O 587426926 AYDKGSNNEIROBY-SBUREZEXSA-N 379.456 4.155 0 1 GIAF CCOC(=O)c1ccc([C@]2(c3ccsc3)NCCc3ccc(O)cc32)cc1 963329654 QHPUOARTKJJDOR-JOCHJYFZSA-N 379.481 4.068 0 1 GIAF COc1cccc(CC[C@@H]2CN(Cc3ncn4ccccc34)CCC2(F)F)c1 1772582755 GZQHEKINQXIFNJ-GOSISDBHSA-N 385.458 4.433 0 1 GIAF Cn1cc(-c2ccc(N3CCC(n4ccc5ccc(Cl)cc54)CC3)nn2)cn1 1772603377 PTMMQFPPPKXWPY-UHFFFAOYSA-N 392.894 4.327 0 1 GIAF Cc1cccc(Cc2nnc(CCC(=O)N3CCCC[C@H]3c3nccs3)o2)c1 13596248 QEGPSGHXRSLLGI-KRWDZBQOSA-N 396.516 4.112 0 3 GIAF O=C(O)c1ccc(Oc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1 13611242 VOHDOXUHCCVGJN-UHFFFAOYSA-N 377.352 4.128 0 1 GIAF c1cc2c(c(N3CCN(CCCc4c[nH]c5ccccc45)CC3)c1)CCCO2 13674836 VESYQRNECIQPBD-UHFFFAOYSA-N 375.516 4.248 0 1 GIAF CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccoc2C(=O)O)cc1 13739747 BKPHYWLYBANUAC-UHFFFAOYSA-N 388.851 4.378 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(C(=O)c3ccccc3)CC1)C2 13744641 YQBRYKBOTSCJNG-LJQANCHMSA-N 393.483 4.001 0 1 GIAF Cc1nn(-c2ccccn2)c2c1[C@H](c1ccncc1)[C@H]1C(=O)CC(C)(C)CC1=N2 17511608 ZVJQHFOSOMZTIK-LEWJYISDSA-N 385.471 4.194 0 1 GIAF COc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)c(F)c1 164900108 BTAJIQAIKJOVJN-UHFFFAOYSA-N 382.460 4.367 0 1 GIAF CC(C)OC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@@H]1c1ccoc1 1857535634 IGLFSTSEIWAKGP-OAHLLOKOSA-N 391.349 4.412 0 1 GIAF Cc1cc2nc(CO[C@@H]3CN(Cc4ccc(F)c(F)c4)C[C@@H]3F)[nH]c2cc1C 2356299654 KVKLTXXMQYSFHZ-FXAWDEMLSA-N 389.421 4.197 0 1 GIAF Cc1ccc2cc3cc(C(=O)N4CCN(c5ccccc5F)CC4)oc3nc2c1 4906022 SKWVATLGPSXPLE-UHFFFAOYSA-N 389.430 4.391 0 1 GIAF Cc1nn(-c2cccc(Cl)c2)c2c1c(N1CCOCC1)nc1ccccc12 26746156 MZESAGRRBNRFDP-UHFFFAOYSA-N 378.863 4.372 0 1 GIAF Cc1cc(Cl)n2s/c(=N\C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)nc2n1 103196752 PQKCIKXQZQFZEC-NNLSSIJJSA-N 395.315 4.273 0 1 GIAF O=C(O)CCNCC1=Cc2ccc(OCCCCc3ccccc3)cc2CC1 59615387 OKMUTJSBRCJDJO-UHFFFAOYSA-N 379.500 4.482 0 1 GIAF CCCCCSC1=N[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N1 101619468 BSMCDKVRZRAUEZ-SFHVURJKSA-N 376.522 4.456 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26388464 UVYBXVJYKDNRLY-QGUORFQISA-N 386.580 4.460 0 1 GIAF Nc1nc(N)c2cc(CN(N=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc2n1 29469487 ZQWWKNQRINKAMU-UHFFFAOYSA-N 396.760 4.154 0 1 GIAF CN[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2[C@@H]1O 2356511289 FLAMWHBGWKTYPW-UDLXJMDSSA-N 376.629 4.154 0 1 GIAF CC(C)c1sc(-n2cccc2)nc1C(=O)NC[C@H]1CCCN2CCCC[C@H]12 2356528915 NGAAIYYNVCWXMC-IAGOWNOFSA-N 386.565 4.052 0 1 GIAF C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1CC(=O)c1cc3[nH]c4ccccc4c3cc12 2356803235 WVXOQWYNERVPNC-RLBLXZPPSA-N 377.440 4.027 0 1 GIAF CC(C)(C)C(=O)N1CCN([C@@H](c2cccnc2)c2ccc(Cl)cc2F)CC1 72103575 PHURSCYDIHRUEG-IBGZPJMESA-N 389.902 4.154 0 1 GIAF CCS(=O)(=O)c1ccc(-c2cnc3[nH]cc(-c4ccc(N)cc4)c3c2)cc1 45202913 NFMCYOORAGORMB-UHFFFAOYSA-N 377.469 4.273 0 1 GIAF COCCn1c(-c2ccsc2)nc2c(NCc3ccc(C)cc3)ncnc21 82179221 XNMULHZJKBBHCP-UHFFFAOYSA-N 379.489 4.122 0 1 GIAF O=C(NCC1CCCCC1)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82139316 ATFQROLVJUFSHT-UHFFFAOYSA-N 382.483 4.193 0 1 GIAF NC1=N[C@@H](CCc2ccc(N[C@H](c3ccc(Cl)cn3)C(F)(F)F)cc2)CO1 139694112 KAWGGFMTDNYBKJ-GOEBONIOSA-N 398.816 4.097 0 1 GIAF CC(C)(C)NC(=O)[C@@H](C1CC1)n1c(-c2ccc3c(c2)OCO3)nc2ccccc21 199229992 RJFQSKCWQMZMGN-HXUWFJFHSA-N 391.471 4.298 0 3 GIAF CC1=C(c2nc(-c3cccc(O)c3)cs2)[C@H](c2cccc(O)c2)NC(=O)N1 145381432 XPQQMJWHSRKXEN-SFHVURJKSA-N 379.441 4.006 0 1 GIAF COC(=N)c1nc2ccc3ncnc(Nc4ccc(N(C)C)cc4)c3c2s1 96270449 QISBQDNTYJNGHX-UHFFFAOYSA-N 378.461 4.021 0 1 GIAF CN1C(=O)[C@@]2(CC(C)(C)Cc3ccc(-c4cc(F)cc(Cl)c4)cc32)N=C1N 95601413 XCWNHCCHTWHNEC-NRFANRHFSA-N 385.870 4.101 0 1 GIAF C[C@H](CN1C(=O)c2ccccc2[C@H]1C(=O)NCC(F)F)c1ccc(Cl)cc1 653724620 PYWJHYZHNABKNX-XIKOKIGWSA-N 392.833 4.022 0 1 GIAF OC1(c2nc3c(Br)cnc(Cl)c3[nH]2)CCC(C(F)(F)F)CC1 587126721 MOFUIMRBHFLWSQ-UHFFFAOYSA-N 398.610 4.314 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C)N[C@@H]3CCCC[C@H]32)N1 587792317 IDNHAVRAXZBLHQ-PDLPKXIKSA-N 381.333 4.258 0 1 GIAF COC(=O)c1csc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587844857 CEYFXQIZSIBCQX-VXJOIVPMSA-N 384.270 4.060 0 1 GIAF CCOc1ccc(OCC)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1 587778324 LWTXDNIUPJVXQL-UHFFFAOYSA-N 377.238 4.495 0 1 GIAF OC1(c2nc3cc(F)cc(Br)c3[nH]2)CCC(C(F)(F)F)CC1 587125407 DTRJWTMKGZWCOO-UHFFFAOYSA-N 381.167 4.405 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2[C@@H]1CCOC1 587619676 YOBVIJHQSKDYLS-NPDZVAPOSA-N 380.440 4.319 0 1 GIAF CC(C)COc1cc2nc(CC(C)(C)CC(=O)O)[nH]c2cc1Br 587954838 BDHWWLBCHLIPIE-UHFFFAOYSA-N 383.286 4.404 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)c(F)c2)N1 587725091 NGSWUMRCNFVAQN-ZKANADHPSA-N 382.204 4.049 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc2c(c1)CCC2 587868147 VRTWVAZAVNUTBK-UHFFFAOYSA-N 387.361 4.150 0 1 GIAF COc1c(Cc2cccc3ccccc23)cc(O)n1-c1cc(O)cc(C(=O)O)c1 587926952 RQBMBXRXUOZWQX-UHFFFAOYSA-N 389.407 4.339 0 1 GIAF COC(=O)C[C@@]1(C2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808521 OGJWRAOBNBCBPX-VOJFVSQTSA-N 384.289 4.071 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)cn1 587579247 TZYDSNYNSLZVMY-REWPJTCUSA-N 384.391 4.281 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(C(=O)Sc3ccccc32)[C@@H]1c1ccc(F)cc1 587371904 GWYKYEQDHVPJRB-DENIHFKCSA-N 392.407 4.418 0 1 GIAF CCOC(=O)Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587777484 NNVLNNAMFYRLSI-UHFFFAOYSA-N 389.249 4.010 0 1 GIAF O=C(c1cc2ccccc2[nH]1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660994 KGBYKVHBHZWVQN-UHFFFAOYSA-N 383.382 4.372 0 1 GIAF O=C(NC1CC1)c1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962706993 MWOPLZMGMDRVIV-PGRDOPGGSA-N 396.531 4.171 0 1 GIAF CCC[C@@]1(CCC(C)=O)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963178395 JRMNHZYSVHTIBJ-RDJZCZTQSA-N 391.817 4.322 0 1 GIAF COc1nc2c(c(=O)n1C)N=C(c1ccc(Cl)cc1)C[C@H](c1ccccc1)N2 5835942 BFPBEFKVWGYBGU-QGZVFWFLSA-N 394.862 4.120 0 1 GIAF Oc1noc(C2CCNCC2)c1Cc1ccc2ccc(Br)cc2c1 13607805 WGNYJQDNFDYMFY-UHFFFAOYSA-N 387.277 4.354 0 1 GIAF O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCc2ccccn2)CC1 13782292 CAKRMODHVGKKRO-UHFFFAOYSA-N 392.330 4.073 0 1 GIAF C[C@@H]1CCC(Nc2cc(N[N+]#N)c(I)cc2Cl)=N1 169728871 HSJPTQHQHNSSTQ-ZCFIWIBFSA-N 376.609 4.117 0 1 GIAF COc1ccc(C(=O)Cc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1 1848185 IAJTXCYJDRGUCA-UHFFFAOYSA-N 384.435 4.128 0 1 GIAF COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc(O)c(CC=C(C)C)c3O[C@H]1CO2 3197548 GBVCHRDRVDOMQV-LEWJYISDSA-N 396.439 4.038 0 1 GIAF biogenic CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@@H]1C(=O)NCCCOC 4214031 RPKBGPSGQIGOLI-RTWAWAEBSA-N 390.524 4.252 0 1 GIAF C[C@@]12CC[C@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O 13298428 GDUPBUZZJUIEDX-CQALGVAQSA-N 378.512 4.453 0 1 GIAF COc1cccc(NC(=O)NCCCN2CCC(Cc3ccc(F)cc3)CC2)c1 13443536 JXTQWHXHDNHUMI-UHFFFAOYSA-N 399.510 4.301 0 1 GIAF O=S(=O)(Nc1ccncc1Oc1cc(Cl)cc(Cl)c1)C(F)(F)F 13586689 FFRZHBDCPOPMNK-UHFFFAOYSA-N 387.166 4.442 0 1 GIAF O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(Cl)cc(Cl)cc1-c1ccc(F)cc1 26816259 VFZYNIDSEIHLBG-XEVLESSRSA-N 399.245 4.399 0 1 GIAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCc1cccc2ccccc12 26948379 ZBBHEAVESUUDTN-HXUWFJFHSA-N 395.499 4.269 0 1 GIAF CC(C)(C)n1ncc(SCc2nnc(-c3cccc(F)c3)o2)c(Cl)c1=O 34562207 KZLFOZSRYLGVSW-UHFFFAOYSA-N 394.859 4.133 0 1 GIAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H](CO)C(C)C)c2)[nH]1 40936071 NIDKGCPDHANJIH-INIZCTEOSA-N 386.496 4.429 0 1 GIAF Cc1ccn(-c2ccc(Cl)c(F)c2)c(=O)c1-c1ccc2nc(N)ncc2c1 40976821 PPISEWGPTNCYKY-UHFFFAOYSA-N 380.810 4.131 0 1 GIAF CC1=C(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H](c2ccco2)c2c[nH]nc2N1 64436939 DZCKNCZNJZYEDO-MRXNPFEDSA-N 388.349 4.492 0 1 GIAF CC(C)c1ccc(S(=O)(=O)c2ccc3[nH]nc(C4CCN(C)CC4)c3c2)cc1 71294621 QWHMNVFMPYFMCB-UHFFFAOYSA-N 397.544 4.328 0 1 GIAF c1ccc(CCc2nc3c(NCC4CC4)ncnc3n2CCc2ccccn2)cc1 82185375 RGXCDHDYMWINOL-UHFFFAOYSA-N 398.514 4.071 0 1 GIAF CC(=O)c1c(OCc2cn([C@H]3C[C@@H]4CC[C@H](C3)N4C)nn2)ccc2ccccc12 100597547 IJXDDWYDVXFHLV-ACDBMABISA-N 390.487 4.011 0 1 GIAF COc1ccc(-c2ccc(CCCNc3ccc(CN(C)C)cc3)nn2)cc1 137451178 MOBSKCBBMWWXRY-UHFFFAOYSA-N 376.504 4.259 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc2c(ccn2C)c1 167581247 DCXJWQSSOWSEHV-BEFAXECRSA-N 378.472 4.305 0 1 GIAF CC(C)CCc1c2[n+](cc3c4c(ccc13)OCO4)CCc1cc3c(cc1-2)OCO3 299827625 PRTKGZLVCKJFBK-UHFFFAOYSA-N 390.459 4.396 0 1 GIAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(I)cc3[nH]2)cc1 586886610 FOHQHGNTDDJWEC-ZBEGNZNMSA-N 392.240 4.313 0 1 GIAF CCCOc1cc2nc(CSc3cccc[n+]3[O-])[nH]c2cc1Br 586969526 LTKLDCFATNAEEA-UHFFFAOYSA-N 394.294 4.040 0 1 GIAF COc1cc(OC)c2[nH]c(COc3ccc(Br)cc3C)nc2c1 586981700 TUGBINVSDQXVHB-UHFFFAOYSA-N 377.238 4.230 0 1 GIAF Fc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1F 587002817 ONSXMFBSOZEXGH-UHFFFAOYSA-N 377.192 4.196 0 1 GIAF Cc1nc2ncc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c(C)n2n1 587107349 RESHARGLKSAYFD-UHFFFAOYSA-N 377.407 4.168 0 1 GIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587116469 YJZXKJUBTJWALI-UHFFFAOYSA-N 386.333 4.353 0 1 GIAF Nc1c(F)c(F)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1F 587136462 HYMDXYXSSCQZQO-UHFFFAOYSA-N 377.551 4.040 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3[nH]c(O)cc32)[C@@H]1c1ccc(F)cc1 587347631 PGJMHKCLDRDYJE-IFMALSPDSA-N 379.387 4.156 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc3cc(C(F)(F)F)ccc3n1C)O2 587382231 KUVDLINQXOZVLP-IBGZPJMESA-N 389.377 4.363 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C)O2 587397592 YBOGXINKDDXULJ-JOCHJYFZSA-N 384.476 4.358 0 1 GIAF Cc1nn(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Br 587502673 MLQRJZCTOKJYQR-HNNXBMFYSA-N 375.266 4.076 0 1 GIAF CN(C)CCOc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587503819 IOVJOVDGXMRBEZ-DEOSSOPVSA-N 379.500 4.386 0 1 GIAF C[C@@]1(c2ccc(O)c3nc(O)ccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587521386 BEAPKYAYGFZELU-QHCPKHFHSA-N 375.424 4.405 0 1 GIAF COc1ncc(Cl)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551092 CVEOMFQUFZPTRV-APWZRJJASA-N 383.787 4.152 0 1 GIAF Cn1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587574056 AJMHUZMYGIENTI-AUSIDOKSSA-N 386.407 4.156 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1OCCCO2 587607094 FYOXLRAROSLHDW-CVDCTZTESA-N 390.391 4.256 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc(Cl)cnc2Cl)N1 587707456 VXFZFVBIABUDRG-QTTZVWFDSA-N 391.071 4.309 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2=COCC2)(C(F)(F)F)N1 587710246 QVYCLCDVGCZKEN-RTHLEPHNSA-N 380.179 4.184 0 1 GIAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1F 587718648 NTEKWPLVEAOCLL-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc(F)cc(F)c32)N1 587737710 GQLZIDMHRWDSDX-NIVTXAMTSA-N 398.222 4.427 0 1 GIAF CCOC(=O)C[C@@]1(C2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797109 LRCGDIRUYOTWRX-VOJFVSQTSA-N 384.289 4.071 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587837048 YZCRKWUCANLLHN-WYRIXSBYSA-N 392.268 4.157 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H]2CCOC2)N1 587837135 ZRTNNJNLQTWMPK-AUJRIZCKSA-N 390.296 4.403 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2scc3c2OCCO3)N1 587849532 ALZYWEPXINYJHC-CLAHSXSESA-N 384.270 4.045 0 1 GIAF COc1ccc(C2(c3nc4cc5c(cc4[nH]3)OCC(=O)N5)CC3(CCC3)C2)cc1 587936617 WKYSOOMMQMAYTF-UHFFFAOYSA-N 389.455 4.153 0 1 GIAF COc1cc2c(cc1OC)[C@@](CCCN(C)C)(Cc1ccccc1)N(C)[C@@H](C)C2 962629676 IDMGOULNKMNFDW-UQBPGWFLSA-N 396.575 4.360 0 1 GIAF Cc1ccnc2c1CCN[C@@H]2C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 963078163 XMXYFNDRTUCQFE-AZUAARDMSA-N 381.520 4.103 0 1 GIAF O=C1C=C(Cc2ccc(NC(=O)c3cccs3)cc2)/C(=C\Br)O1 1857744679 WKFADAMBRXHWKO-GXDHUFHOSA-N 390.258 4.262 0 1 GIAF CCN(C(=O)Oc1ccc(F)cc1)c1ccc2c(c1)N(C1CC1)[C@@H](C)C(=O)N2C 1857751899 MRTNNCLFDKSIJW-AWEZNQCLSA-N 397.450 4.185 0 1 GIAF CC(=O)[C@H]1CCCN(C(=O)c2ccc3oc(CCc4ccccc4)nc3c2)C1 11812978 UIPTYESZPAQRKK-IBGZPJMESA-N 376.456 4.054 0 3 GIAF Cc1ccc(CN2C(=O)[C@H](CC(C)C)Nc3ncnc(N4CCCCC4)c32)cc1 72137610 XUOHWQMJMFPBCO-IBGZPJMESA-N 393.535 4.149 0 3 GIAF COc1cc2c(c3oc(-c4ccc5c(c4)OCO5)c(O)c(=O)c13)CCC(C)(C)O2 1617167 CFRTUWHTAHESBJ-UHFFFAOYSA-N 396.395 4.007 0 1 GIAF CC1=C(C(=O)Nc2cccc(C(=O)N[C@H]3CCC[C@H](C)[C@H]3C)c2)SCCO1 6895029 MCYZFHKBOIVVFE-IYOUNJFTSA-N 388.533 4.175 0 1 GIAF CCCn1c(-c2ccc(F)cc2)nc2c(NC[C@@H]3CCCN3CC)nc(C)nc21 7991769 ZJLPRKGWZJQXLU-SFHVURJKSA-N 396.514 4.247 0 1 GIAF c1ccc(-c2nc(CN3CCN(c4ccccn4)CC3)cn2-c2ccccc2)cc1 13491646 YATVHWPPUPOJPS-UHFFFAOYSA-N 395.510 4.257 0 1 GIAF Cc1c(C(=O)c2cnc3ccccc3c2)c2ccccc2n1CCN1CCOCC1 13742592 JTUYGOTWBDIOTF-UHFFFAOYSA-N 399.494 4.061 0 1 GIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccncc2)C2=C(O)CC(C)(C)CC2=N1 19770315 HKVLIEDYXBFTCT-OXJNMPFZSA-N 396.487 4.248 0 1 GIAF CCc1noc(-c2ncn3c2CN=C(c2ccccc2)c2cc(Cl)ccc2-3)n1 26380314 LOGZPFJGGKDLBE-UHFFFAOYSA-N 389.846 4.489 0 1 GIAF CC(=O)OCN1C(=O)Cc2c([nH]c3ccc(Br)cc23)-c2ccccc21 27180197 AGDMOFRZFXHYBK-UHFFFAOYSA-N 399.244 4.007 0 1 GIAF CCOCCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27556055 ULAOQWBWDVCIMV-USXIJHARSA-N 376.518 4.465 0 1 GIAF COC(=O)[C@]1(c2ccc(OC)cc2)C[C@H]1CN1CCC(Cc2ccccc2)CC1 28635010 KNKFPQOWTXYRMB-DHLKQENFSA-N 393.527 4.081 0 1 GIAF CCOc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1 72109769 KQPIIXSTQQVRCM-UHFFFAOYSA-N 386.473 4.484 0 1 GIAF CCCCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCC3CC3)ncnc21 82181821 ARIRXUOQCMQALY-UHFFFAOYSA-N 381.480 4.220 0 1 GIAF CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3F)ccnc21 84688757 SJERJORLCVYKPW-QGZVFWFLSA-N 385.414 4.415 0 1 GIAF O=C(Nc1ccc(F)cc1F)[C@H]1C(=O)N2c3ccccc3Cc3cccc1c32 100658574 GJLDPGXQDWKZDK-IBGZPJMESA-N 376.362 4.270 0 1 GIAF O=C1CCC2(CC1)CCN(C1(c3ccc(Br)cc3)CC1)C(=O)O2 145943219 COHLMFBHXAQINO-UHFFFAOYSA-N 378.266 4.162 0 1 GIAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccc(OC)cc2)s1 253637520 VWOMMCGIMIJHDR-GPBIDZIOSA-N 395.524 4.463 0 1 GIAF CN(C)CCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1 299858110 QMLPPQBWNVSNJX-UHFFFAOYSA-N 376.456 4.252 0 1 GIAF O=S(=O)(CCc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc2c(c1)CCC2 586920838 RZUGGHRPPKGJMK-UHFFFAOYSA-N 395.311 4.375 0 1 GIAF CCc1ccc(-c2nc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)cs2)cc1 587015710 IRXFVPZDYJOPSK-UHFFFAOYSA-N 383.498 4.319 0 1 GIAF O=C(Nc1ccccc1Cl)c1nc2c(Cl)ncc(Br)c2[nH]1 587060203 FPVAYEPLSLNFMJ-UHFFFAOYSA-N 386.036 4.280 0 1 GIAF CN(C)CCOc1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068185 KPGVMGMPCZHARY-UHFFFAOYSA-N 381.867 4.214 0 1 GIAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(=N)[nH]cc4[nH]3)c(Cl)cc12 587078093 HJQYZSQLDYJTJI-JTQLQIEISA-N 398.850 4.223 0 1 GIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cccc(C(N)=O)c3[nH]2)c(F)c1 587144987 PTQWCTFDWFRBCT-UHFFFAOYSA-N 389.386 4.142 0 1 GIAF CCOC(=O)c1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587222163 YPGVJNXYCNWXFN-NRFANRHFSA-N 399.450 4.259 0 1 GIAF CC(C)[C@@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340958 IMIUJXSXYBQHSZ-DENIHFKCSA-N 380.419 4.175 0 1 GIAF C=Cc1nc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]1 587347232 OQTLXPQJDZGJPY-DENIHFKCSA-N 378.403 4.480 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H]([C@H](CNC(=O)OC(C)(C)C)C(C)C)CC2=O 587471607 ULNJZFPACONNJB-VQIMIIECSA-N 391.508 4.475 0 1 GIAF COc1cc(C)ccc1OCc1nc2c(Br)cnc(Cl)c2[nH]1 587563301 BMZTYBZYPBZHOH-UHFFFAOYSA-N 382.645 4.270 0 1 GIAF CCOc1cc(O)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599236 WPUUUFXFUXXYSB-KNQAVFIVSA-N 378.380 4.199 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccn2)(C(F)(F)F)N1 587708759 DHVMQHLXBWAKAG-PSLIRLAXSA-N 389.190 4.323 0 1 GIAF CCn1nc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587759428 TWWMLIQTSCDCPW-MLCYQJTMSA-N 380.305 4.219 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(COc2cccc(C=O)c2)N1 587797824 XNEGDZWWGZRZSU-BLVKFPJESA-N 392.268 4.229 0 1 GIAF CCOC(=O)C1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CCC1 587798982 QQFBQHIIYUKSKA-APPDUMDISA-N 384.289 4.071 0 1 GIAF CCOC(=O)[C@@H]1CC[C@@]2(C=C1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587799293 RRCQRAMKKHDXFE-CFZJUORYSA-N 396.300 4.237 0 1 GIAF COc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1OC 587805927 ICFLBSOQAPTVFQ-QGHHPUGFSA-N 380.257 4.229 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1c(C)n[nH]c1C 587866049 CENANVUULMIOQZ-UHFFFAOYSA-N 392.381 4.190 0 1 GIAF Cc1c(O)ccc2c1[C@H](c1ccc(SC3CCCCC3)o1)N[C@H](C(=O)O)C2 963525489 MZNRAOKHJCKADT-YWZLYKJASA-N 387.501 4.407 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1c(C)nc2scc(C3CC3)n12 963579906 JVWNFAAULZLWND-JEOXALJRSA-N 383.517 4.222 0 1 GIAF O=C(O)C[C@@H]1CC[C@@]2(C1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963816517 CVSOIHJWGQQXJZ-XDHUDOTRSA-N 390.483 4.363 0 1 GIAF Cc1nc(-c2ccc(F)cc2)sc1COc1ccc(OCC(=O)O)c(F)c1 1857563581 XHTGWWOKFZEKKR-UHFFFAOYSA-N 391.395 4.439 0 1 GIAF C[C@H](C(=O)Nc1cnccn1)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 1857749685 UWFLPTWWSVWMMN-LBPRGKRZSA-N 387.365 4.376 0 1 GIAF O=C1c2cccc(F)c2C(=O)N1CCCNc1ccnc2cc(Cl)ccc12 1857751529 FHRXJWJUMIEHTP-UHFFFAOYSA-N 383.810 4.126 0 1 GIAF O=C(Nc1ccc(F)cn1)c1cc(Oc2cncc(F)c2)cc2cccnc12 1857754131 ZPUFQWDKWXLIQK-UHFFFAOYSA-N 378.338 4.348 0 1 GIAF CNCc1cc(O)ccc1C[C@@H]1CCC[C@H]([C@@]23CC[C@@H]([C@@H](N)C2)C(C)(C)O3)C1 2356360288 CKLMHNRBOGLRQK-QNPHOAQASA-N 386.580 4.136 0 1 GIAF C[C@H]1CN(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 61923292 BXNAOJUJUAECSX-SUMWQHHRSA-N 387.277 4.077 0 3 GIAF O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1ccno1)c1ccccc1 1353763 RLTMLGZOECALIQ-NRFANRHFSA-N 389.455 4.122 0 3 GIAF aggregator COc1ccc2[nH]cc(CCNc3cc(-c4ccc5c(c4)OCO5)ncn3)c2c1 4264536 MHOMKWXIZDGSNU-UHFFFAOYSA-N 388.427 4.017 0 1 GIAF O=C(c1ccoc1)N(c1ccccn1)C1CCN(CCc2ccccc2)CC1 27734687 CMMOCMICHSXCHP-UHFFFAOYSA-N 375.472 4.029 0 1 GIAF Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@H]3C2=O)c1 102618598 PIOFVHMFVWYPOQ-MDASCCDHSA-N 376.456 4.173 0 1 GIAF Cc1cccc(NC(=O)Nc2ccc(-c3csc4nc(N)nc(N)c34)cc2)c1 63298236 RAPYFGJGASETOS-UHFFFAOYSA-N 390.472 4.475 0 1 GIAF N[C@@H](COCc1ccccc1)c1csc(Nc2nncc3ccccc23)n1 61895767 BJVQCLBGEGSIJZ-KRWDZBQOSA-N 377.473 4.047 0 3 GIAF CC(C)(C)c1cc(NCc2ccccc2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29131734 PSUBOTDNVFZXTP-UHFFFAOYSA-N 395.528 4.457 0 1 GIAF C[C@](O)(CC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356450361 RAJWFJLYEVWRML-SWXTZWQISA-N 378.553 4.232 0 1 GIAF C[C@@]12CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)N5CCOCC5)[C@H]4CC[C@]3(CC1=O)C2 61959362 XMRZFKRYGMRYPA-ZDILWEHHSA-N 387.564 4.217 0 3 GIAF c1ccc2c(N3CCN(CCCOc4ccc5c(c4)CNC5)CC3)cccc2c1 64548820 FSOQNRYVHQRTNP-UHFFFAOYSA-N 387.527 4.034 0 1 GIAF COc1cc(C[C@H](C)[C@@H](C)Cc2cc(OC)c(O)c(OC)c2)cc(OC)c1O 14437606 IBXZKLJADNJZFN-KBPBESRZSA-N 390.476 4.190 0 1 GIAF biogenic CCOC(=O)c1cc(-c2sc(-c3cccnc3)nc2-c2ccccc2)n[nH]1 49053299 DPMSFKGZIJIOGE-UHFFFAOYSA-N 376.441 4.439 0 1 GIAF CN(c1ccccc1)c1nnc([C@H](O)c2c(F)c(F)c(F)c(F)c2F)s1 82078625 WGSUITZQYUFDOS-CQSZACIVSA-N 387.333 4.083 0 1 GIAF Nc1cnc(-c2ccc(-c3ccccc3Sc3cnccn3)cc2F)cn1 224736726 IOVUWAGLHFAEIC-UHFFFAOYSA-N 375.432 4.473 0 1 GIAF COc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2NC(C)=O)cc1 45353589 DNUUHSYBLMLYKC-UHFFFAOYSA-N 398.415 4.001 0 1 GIAF COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccncc1 143202113 NOJMHRQZJGGCQT-UHFFFAOYSA-N 390.374 4.217 0 1 GIAF CCOC(=O)Nc1cc(N)c2nc(-c3ccc(Br)cc3)[nH]c2c1 96928358 XTSOPUMYKMVFPA-UHFFFAOYSA-N 375.226 4.143 0 1 GIAF CCOC(=O)[C@]12Cc3cc(Cl)ccc3[C@H]1N(C(C)C)C(=O)c1ccccc12 95568608 IHZIEODLMNIIHU-KNQAVFIVSA-N 383.875 4.303 0 3 GIAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4c(C)c3C[C@@H](OC(C)=O)[C@H]21 38279413 KUDGKETXNRKTHI-OHUMZHCVSA-N 384.472 4.466 0 1 GIAF biogenic CC[C@@H](Cc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1)C(=O)O 653807582 UXMZTVMTKYVXFH-HNNXBMFYSA-N 395.377 4.169 0 1 GIAF O=C1Nc2cc(Cl)ccc2[C@]12ON=C(c1ccccc1)N2c1ccccc1 653849103 UDGQGXDVOJBXMM-NRFANRHFSA-N 375.815 4.344 0 1 GIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc(C(=O)O)c4[nH]3)c2C1 587032315 SUJHXXYXEYOEGR-UHFFFAOYSA-N 399.472 4.283 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(C)nc3[nH]2)c1 587147155 IXJOPXZATYCILD-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF CC/C=C\C[C@@H]1[C@H](CC(=O)OC)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443904 QNUFJODRXFDIBI-HRUBHXNJSA-N 384.472 4.127 0 1 GIAF C[C@H](O)[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587357604 UTJKOOVSOWCCOD-BQNIGPCOSA-N 392.426 4.253 0 1 GIAF COc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2cc1C 587125389 PYHWFSYJGHXAFE-UHFFFAOYSA-N 399.394 4.117 0 1 GIAF Oc1ccc(OCc2ccccc2)n1-c1cnc(Cc2ccc(F)cc2)nc1 587945087 JCROFTYRZZIYBP-UHFFFAOYSA-N 375.403 4.282 0 1 GIAF COC(=O)c1ccccc1-c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 587455632 ONPCYEWQRBDLMJ-OPAMFIHVSA-N 390.391 4.231 0 1 GIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2n1 586880952 RNTZWBQIDJVQPM-UHFFFAOYSA-N 387.395 4.085 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3c(F)cnc(Cl)c3[nH]2)[C@@H]1c1ccccc1Cl 587062098 SMOANIHFGXKTRI-HWPZZCPQSA-N 393.249 4.481 0 1 GIAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c21 587031135 OSXGOUIETPAKKB-VIFPVBQESA-N 384.896 4.329 0 1 GIAF COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccc(Br)cc1 587632624 MMKMZBOULGIMDO-UHFFFAOYSA-N 376.181 4.087 0 1 GIAF Cc1cc(Cl)cc2c(C(=O)c3cnn(C)c3C)c(-c3cnn(C)c3C)[nH]c12 587626941 KSNFBRCBNMDADZ-UHFFFAOYSA-N 381.867 4.112 0 1 GIAF Cc1ccc(C)c2[nH]c([C@H](N)Cc3ccc(I)cc3)nc12 587183928 LPBBRCUKFCWVRV-CQSZACIVSA-N 391.256 4.027 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(ccc4nc(C)ccc43)[nH]2)cc1 586940330 ZZXRKEOEWGWPEH-ZDUSSCGKSA-N 394.500 4.163 0 1 GIAF O=C(O)c1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1F 587115922 FIHATVKZHVVYAK-UHFFFAOYSA-N 376.269 4.029 0 1 GIAF C=CC(=O)NC(C)(C)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332950 FCCJRVMSYVIPDH-OFNKIYASSA-N 397.446 4.120 0 1 GIAF COc1cc(Br)c([C@@H](N)c2nc3c(C)ccc(C)c3[nH]2)cc1OC 586974739 GTODOSNPUOFFSP-OAHLLOKOSA-N 390.281 4.008 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OCCF)cc1 587552589 AXEOPYRVINGMRC-SIKLNZKXSA-N 380.371 4.443 0 1 GIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(F)cc(Br)c2[nH]1 587175636 VOHLKYRDYYGQAF-ZDUSSCGKSA-N 391.219 4.327 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(C(=O)O)ccc32)N1 587824383 BKTWJPMPCDGSBG-APBUJDDRSA-N 390.252 4.010 0 1 GIAF C[C@]1(c2cccc(F)c2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172592 DEHRBALHEQEMIT-DOTOQJQBSA-N 387.760 4.360 0 1 GIAF CCC[C@]1(c2ccc3c(c2)OCO3)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962573078 MPLXVLGIRCCCMJ-WNSKOXEYSA-N 383.488 4.353 0 1 GIAF OC[C@@]1(c2ccccc2Cl)c2cccc(F)c2CCN1[C@H]1CCSC1 962717942 WVKPVOYTWYSDCR-XOBRGWDASA-N 377.912 4.079 0 1 GIAF COc1ccc(F)cc1-c1cccn([C@H](CN2CCCC2)c2ccccc2)c1=O 13436663 YMQYXUZWOQEIQD-JOCHJYFZSA-N 392.474 4.348 0 1 GIAF O=C1O[C@H](CCc2ccccc2)C(=O)[C@@H]1SCc1cccc(C(F)(F)F)c1 169693688 LHGGVYPISQCFNW-AEFFLSMTSA-N 394.414 4.435 0 1 GIAF CC(C)(C)n1nnnc1[C@H]1CN=C(c2ccccc2)c2cc(Cl)ccc2N1 203464060 LZUVHGUOVJKENR-QGZVFWFLSA-N 380.883 4.086 0 3 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCc5ccccc54)ncc23)ccn1 205428603 GIXCWVMTGCMIKA-GOSISDBHSA-N 384.443 4.137 0 1 GIAF CO[C@H]1OC(=O)C(Cc2ccc(O)c(CC=C(C)C)c2)=C1c1ccc(O)cc1 1857759290 BIVNWUMPSCVWLT-QHCPKHFHSA-N 380.440 4.132 0 1 GIAF CC(=CCC[C@@]1(C)Oc2c(C=O)c(C)cc(O)c2C[C@@H]1O)CCCC(C)(C)O 2356325421 XNGJIAMDQGOCBU-NZQKXSOJSA-N 390.520 4.235 0 1 GIAF Cc1nc(Cc2cccc(Oc3ccccc3)c2)c(/C=C/C(=O)O)c(C=O)c1O 103242027 NRQMQLIOIVRYHC-ZHACJKMWSA-N 389.407 4.389 0 1 GIAF Cc1cnc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)s1 101704517 LHVUZIHFLUPGOR-MAEOIBBWSA-N 395.532 4.291 0 1 GIAF C[C@H](Oc1ccc(Oc2cnc3ccc(Br)cc3n2)cc1)C(=O)O 29475747 BXUHTNAITYOGIM-JTQLQIEISA-N 389.205 4.037 0 1 GIAF O=C1c2ccccc2[C@@H]2[C@H](C(=O)O)[C@H](C(=O)O)[C@@H]2c2ccc(-c3ccccc3)cc21 29206404 IJKPAPFBDVRAPA-LNRXMEIDSA-N 398.414 4.181 0 1 GIAF Cc1ccc2c(N3CCN(CCc4cccc(-n5cccn5)c4)CC3)cccc2n1 66252315 SIMNKURLSFAWDZ-UHFFFAOYSA-N 397.526 4.094 0 1 GIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@@H]1CN1CCC1 26578401 WDTVJLFYPVLUMW-FQEVSTJZSA-N 389.326 4.368 0 1 GIAF O=C(N[C@H]1CCC[C@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 66097633 ZMKULNNAJKQJNK-RYUDHWBXSA-N 388.773 4.047 0 1 GIAF O=C1OCC2=C1[C@@H](c1cncc(Br)c1)c1ccc3ccccc3c1N2 71282114 JXKZKGQWZSCNBI-KRWDZBQOSA-N 393.240 4.366 0 1 GIAF CC(C)=CCC/C(C)=C\CCC(C)=CCNCCCN(CCCN)CCCN 1911581261 NOXBBWMQUCBHLJ-HZHRJKSOSA-N 392.676 4.385 0 1 GIAF O=C(Cn1ccc(=NCc2ccccc2)cc1)c1cccc(Br)c1 45301490 RIVAEWKCDRTJDM-UHFFFAOYSA-N 381.273 4.234 0 1 GIAF Cc1ccccc1CN1C(=O)CSC[C@]1(C)C(=O)Nc1c(C)cccc1C 199230732 IBGNXYZAWBOVAU-JOCHJYFZSA-N 382.529 4.085 0 3 GIAF CCCOc1ccc(Oc2ccc(F)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1 143167826 BDNWHXABGMGJIY-UHFFFAOYSA-N 382.391 4.347 0 1 GIAF CCC(=O)Nc1ccc(-c2nnc3n2-c2cccnc2Nc2ccccc2-3)cc1 142044599 YLDVZXJYHGGBPK-UHFFFAOYSA-N 382.427 4.402 0 1 GIAF COCCCOc1ccc(Cl)c(-c2nnc3c(C)nc4ccc(C)nc4n23)c1 145713321 XXOXYYIHSNWLAR-UHFFFAOYSA-N 397.866 4.025 0 1 GIAF O=C(O)c1sc(-c2ccccc2)cc1N1C(=O)CCC[C@@H]1C1CCOCC1 299834619 RNGXWMACOCVVRC-MRXNPFEDSA-N 385.485 4.425 0 1 GIAF COc1cc2c(cc1C(=O)N1CCCCC1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C 653795272 OXCBCBWGAOKFQS-AWRGLXIESA-N 385.548 4.322 0 1 GIAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587811342 ZAQPWXIOTBHQQK-WYRIXSBYSA-N 394.284 4.403 0 1 GIAF COc1cc(F)c(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559850 ZSFXGPOCSXLDMI-RXVVDRJESA-N 384.334 4.382 0 1 GIAF Clc1ccc(-c2nnc(CCc3nc4cc5c(cc4[nH]3)OCCCO5)o2)cc1 587077761 ZMYZGMIVPDNFPC-UHFFFAOYSA-N 396.834 4.213 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2n[nH]c(Cl)c2c1 587552268 PGTUROVIBURWMR-YJBOKZPZSA-N 393.786 4.020 0 1 GIAF COc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587340954 UXHXKGVICGCVCY-UNMCSNQZSA-N 379.387 4.209 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1ncccc1-c1cccnc12 587586913 LQLRWWMDYHNNLV-IBGZPJMESA-N 394.386 4.068 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2/C=C/C(=O)O)N1 587828263 ODZGRCSOUMYGLK-AHWRKKCMSA-N 390.252 4.310 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)OCCCO3)N1 587833928 ITLAAHJKKCPJAQ-NSPYISDASA-N 392.268 4.373 0 1 GIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc2sc(=O)oc12 587537260 CDGYQYZZHGZNCI-MRXNPFEDSA-N 382.437 4.448 0 1 GIAF COc1cc2c(cc1OC)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](N=O)C2 587508324 UWBGGEFACDEYJE-JTHBVZDNSA-N 393.439 4.134 0 1 GIAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3ccc(C(C)(C)C)cc3[nH]2)cc1 586941360 SJSQGWIFRAXNFU-QXMHVHEDSA-N 383.517 4.259 0 1 GIAF CC(=O)C[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587733670 RRCZLGNCMUDLNO-JEOXALJRSA-N 394.259 4.484 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc[nH]n3)o2)N1 587795217 NRTZGNCJVREAEM-HUTHGQBESA-N 376.229 4.195 0 1 GIAF C[C@@H](O)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371675 COVZZLTWVBZRDS-PCFDJQJPSA-N 384.428 4.228 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(O)cc3[nH]2)C[C@@H]2CCCC[C@H]21 587025854 IRMKMUKHYYYKKQ-KYNGSXCRSA-N 381.501 4.405 0 1 GIAF CCn1ncc([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587516356 CHBDSKPKXGUHBE-MDRMPYQZSA-N 379.504 4.026 0 1 GIAF Cc1ccc2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2c1 587588737 RYLKJWVXXMGVSY-AUSIDOKSSA-N 386.407 4.360 0 1 GIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)cc2N1 587125894 HGXRNFHHFLCJKF-YLWLKBPMSA-N 391.184 4.436 0 1 GIAF Cc1ccnc2c1CCN[C@H]2C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 963078164 XMXYFNDRTUCQFE-ICSRJNTNSA-N 381.520 4.103 0 1 GIAF Cc1ccc([C@]2([C@@H]3CCCC[C@H]3C(=O)O)NCCc3ccc(O)cc32)c(C)c1 963351589 HDRNVLOXKXBAHM-ZILOHOTNSA-N 379.500 4.289 0 1 GIAF O=C(O)c1cccc2c1CCN[C@]21CCCc2sc(-c3ccc(F)cc3)nc21 963130557 JWFAJAYUVQIICC-JOCHJYFZSA-N 394.471 4.373 0 1 GIAF Cc1cc(=O)oc2cc(NC(=O)c3cc(C(F)(F)F)ccc3C(=O)O)ccc12 1772651393 IQVKDSQZYISVHO-UHFFFAOYSA-N 391.301 4.071 0 1 GIAF CCCC1(CCC)CS(=O)(=O)c2ccc(N)cc2[C@@H](c2ccccc2)[C@H]1O 13672976 GCWONZWDCACXBU-NHCUHLMSSA-N 387.545 4.136 0 1 GIAF COc1ccc2c(C(=S)N(C)CC(=O)O)c(Cl)ccc2c1C(F)(F)F 13823528 IWCBLERNRJFZCZ-UHFFFAOYSA-N 391.798 4.213 0 1 GIAF Cc1nc2ccc(F)c(-c3cc4c([nH]3)C3(CC3)NC4=O)c2nc1NC(C)(C)C 206128374 DEJOUBIDXHXKJV-UHFFFAOYSA-N 379.439 4.015 0 1 GIAF O=C(N[C@@H](Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 1857555126 YKMDZVOVJMQFFU-QHCPKHFHSA-N 395.462 4.232 0 1 GIAF COc1ccccc1-c1ccnc2[nH]nc(-c3cc(OC)c(OC)c(OC)c3)c12 1857609898 ZGDUNKBPSSJAGF-UHFFFAOYSA-N 391.427 4.326 0 1 GIAF COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCCC5)C[C@@H]3N4)cc2)c1 100106295 UHCQNJSVLGYHIP-UBRQYEGLSA-N 390.527 4.209 0 1 GIAF CCN1CCN(CCOc2ccccc2)[C@@H]2CCn3c(c(C)c4ccccc43)[C@@H]21 27305245 DQXJJEZPKISUDR-ILBGXUMGSA-N 389.543 4.480 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl 61959268 HAQDEJPEAKWAAM-ZFWWWQNUSA-N 384.259 4.178 0 1 GIAF CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3)N2C1=O 72117003 MMFSTZXXFVVGLA-IEBWSBKVSA-N 379.847 4.120 0 1 GIAF C[C@H](CCC(=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@@]21C 33820736 LKUNZSUKADSCME-MZWKDJGJSA-N 392.580 4.478 0 1 GIAF O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCC[C@@H]1c1ccccc1)CC2 34826302 XMWPUEPUQVYCIC-PKTZIBPZSA-N 389.543 4.141 0 1 GIAF C[C@](O)(CSc1ccc(Br)cc1)c1nc(-c2ccccc2)no1 73294812 SABLWZVBMGEOOA-KRWDZBQOSA-N 391.290 4.499 0 1 GIAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1 72316410 KTXVIHVCQVKSMA-QGZVFWFLSA-N 377.463 4.065 0 1 GIAF CCCc1nc2c(NCc3cccc(Cl)c3)ncnc2n1C[C@H]1CCCO1 82181358 QUQWVVALMHGXLS-MRXNPFEDSA-N 385.899 4.223 0 1 GIAF O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2c(C2CCCCC2)ccc1=O 25429903 PWLNMYAVHZRBKY-XLIONFOSSA-N 382.548 4.422 0 1 GIAF biogenic Nc1nccn2c(C3CCC3)nc(-c3ccc([S@](=O)c4ccccc4)cc3)c12 96168275 KCFICDAFSIXWSV-NDEPHWFRSA-N 388.496 4.413 0 1 GIAF O=C(CCO)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261160563 QTXHMWUMSJMZON-KESTWPANSA-N 398.547 4.060 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccco3)nc2)N1 587774291 LXTMSXJLCBBVGB-QGHHPUGFSA-N 388.240 4.262 0 1 GIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c[nH]1 587061322 VJYMJECEOFNORU-UHFFFAOYSA-N 391.649 4.455 0 1 GIAF Brc1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966995 ONHKPUGEOYIWPU-UHFFFAOYSA-N 388.250 4.063 0 1 GIAF Clc1c[nH]c2nc(COc3ccc4ccccc4c3Br)nc-2n1 587000051 DRAXTYCMFBKVOF-UHFFFAOYSA-N 389.640 4.453 0 1 GIAF Cc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)s1 587658189 KLRIJLIGYILDGF-UHFFFAOYSA-N 382.391 4.400 0 1 GIAF COC(=O)c1cc([C@]2(C3CCCCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c[nH]1 587439806 XAPUOMDQCJZYNT-HXOBKFHXSA-N 395.455 4.033 0 1 GIAF CCCOc1cc2nc(Cc3csc4nccn34)[nH]c2cc1Br 587039088 AIMHFTKTVHBMQS-UHFFFAOYSA-N 391.294 4.414 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)nn2C)N1 587762041 CQDNYZZMBXVOEL-DYZYQPBXSA-N 380.305 4.243 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cccc(NC(=O)C4CCC4)c1)[C@@H](C2)C3=O 587431567 HJIPLXSKKIVAKZ-FDDCHVKYSA-N 377.440 4.097 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc(Cl)cc(F)c4[nH]3)cc12 587038091 QHBNYBZQIVRYJH-MRVPVSSYSA-N 391.859 4.103 0 1 GIAF COCCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587597211 QCMBMJYZQQXBPS-NFBKMPQASA-N 392.407 4.120 0 1 GIAF Cn1nc(-c2nc3ncccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587131127 YVJHCRSAGAOZNB-UHFFFAOYSA-N 392.369 4.175 0 1 GIAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(C(=N)N)cc2[nH]1 587122140 RURBBFFNZSMTNI-UHFFFAOYSA-N 385.349 4.269 0 1 GIAF COCCn1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587753404 VQVQHGQBEWTVMC-NSPYISDASA-N 395.316 4.277 0 1 GIAF Cc1nc2sccn2c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620430 ZHPKIYKZNSDFCP-HRAATJIYSA-N 392.436 4.287 0 1 GIAF CCCn1cnc2cc(-c3nc4c(Cl)ncnc4[nH]3)cc(Br)c21 587004574 VAFSGWOUUUOFDB-UHFFFAOYSA-N 391.660 4.196 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-n2ccnc2)N1 587755722 QHKWKGVERZBMFT-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF Cc1ccc(-n2nc(C)c([C@@H]3NCCc4nc5ccccn5c43)c2Cl)cc1 962991450 WBMXSIPYJLRSOK-IBGZPJMESA-N 377.879 4.025 0 1 GIAF Cc1noc2c(-c3cncc(F)c3)nn([C@@H](C)c3ccc(Cl)cc3)c(=O)c12 1772609284 BQIREJUHVXKGES-NSHDSACASA-N 384.798 4.157 0 1 GIAF CS(=O)(=O)c1ccc(-c2cc3c(cc2Cc2ccc(F)cc2)OCO3)cc1 13530423 OQIQYXVIIIAZGF-UHFFFAOYSA-N 384.428 4.216 0 1 GIAF C[C@@H](c1cccc2ncccc12)N1CCC(C(=O)NCc2cccc(F)c2)CC1 169312125 ZMXMWLATCGSMKP-KRWDZBQOSA-N 391.490 4.463 0 1 GIAF OCc1ccc(-c2cnc3ccc(-c4cccc(OC(F)(F)F)c4)nn23)cc1 1857595051 IKHPUEOSFPNHIG-UHFFFAOYSA-N 385.345 4.454 0 1 GIAF NC(=S)c1cc(-c2cn(CCC(F)F)c3cc(CO)ccc23)ccc1F 1857606067 VMMHDNUEDUGGCZ-UHFFFAOYSA-N 378.419 4.229 0 1 GIAF c1ccc(-n2nccc2-c2ccc3nnn(-c4ccc5c[nH]nc5c4)c3c2)cc1 1857617266 OBMPSNTXKCWXHE-UHFFFAOYSA-N 377.411 4.150 0 1 GIAF O=c1cc(Cc2ccc(-c3cc(Cl)cc(C(F)(F)F)c3)cc2)nc(O)n1O 1857653620 NWHJRGNBAQKTLY-UHFFFAOYSA-N 396.752 4.116 0 1 GIAF O=C(c1ccc2ccoc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 13441673 LGVVOIKNYFMTNS-UHFFFAOYSA-N 376.412 4.194 0 1 GIAF CCOC(=O)C(C)(C)c1ccc2c(C)cc(Oc3ccc(C(=N)N)cc3)nc2c1 13535203 NQTRMKQQZOHULE-UHFFFAOYSA-N 391.471 4.460 0 1 GIAF NC(=O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)nc2c1 13612135 QEMULFAUDKUPNT-UHFFFAOYSA-N 390.830 4.235 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)c5ccc[nH]5)CC[C@H]4[C@H]3CC[C@@H]12 34315797 ADCZPIWAYHWQLK-MQZSSLJOSA-N 380.532 4.453 0 1 GIAF Cc1cc(-c2cc(F)cc(F)c2)ncc1[C@@H]1CCCN1C(=O)c1cnccn1 72176659 UVXYVSZVIGUGKP-FQEVSTJZSA-N 380.398 4.103 0 1 GIAF O=C(O)C[C@H](CC(=O)c1ccc(I)cc1)c1ccccc1 95572806 QYOQQMKCKYQDEA-AWEZNQCLSA-N 394.208 4.123 0 1 GIAF O=Cc1ccc(NC(=O)CCCCCCC(=O)NOCc2ccccc2)cc1 95783914 UECIIUVNNFNAIZ-UHFFFAOYSA-N 382.460 4.026 0 1 GIAF CCN(Cc1cccnc1)c1cccc(C(=O)N2CCc3ccc(O)cc3C2)c1 103300986 MVDULROHEPBZKD-UHFFFAOYSA-N 387.483 4.012 0 1 GIAF Fc1ccc2c(c1)c1c(n2CCCOc2ccc(F)c(F)c2F)CCNC1 169350531 RVYLQHRRGGJUCM-UHFFFAOYSA-N 378.369 4.313 0 1 GIAF CCOC(=O)c1cccc(NC(=O)c2ccc3cc(C(=O)OC)ccc3c2)c1 200773776 BLEFZBFZWRUMCE-UHFFFAOYSA-N 377.396 4.055 0 1 GIAF CCCCC[C@](C)(O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC(=O)C(F)(F)CCC=CC[C@@H]21 253632911 JDUYYVZXUCCOCQ-YIWOTWCUSA-N 386.479 4.158 0 1 GIAF Cc1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1C 586951309 UMHPOVQQRPXPRQ-UHFFFAOYSA-N 398.532 4.112 0 1 GIAF CN(C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)c1ccccc1 586989137 YMLLWTICIHZXHU-UHFFFAOYSA-N 394.430 4.357 0 1 GIAF Brc1n[nH]c2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc12 587006574 HZSRRQIGZREEQZ-UHFFFAOYSA-N 385.221 4.030 0 1 GIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(F)c(Br)c2[nH]1 587052537 FBJYELCGWKILHC-SNVBAGLBSA-N 384.636 4.066 0 1 GIAF CCOC(=O)C(=O)[C@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587096492 KTKSQYOKONVWHN-SFHVURJKSA-N 399.446 4.307 0 1 GIAF CCOC(=O)[C@@H](CCOC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106176 IODTUJAQJICHER-INIZCTEOSA-N 375.424 4.129 0 1 GIAF Cn1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c(C(F)(F)F)c1 587113734 YGZIARHMYFLWBO-UHFFFAOYSA-N 379.567 4.398 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3C[C@H]2CCC3=O)[C@@H]1c1ccc(F)cc1 587348531 DGCBDXYTRHNRML-AZMJPYLMSA-N 380.415 4.408 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1N(C)C)O2 587378036 RIZUCEQKGBRPNC-QGZVFWFLSA-N 375.266 4.112 0 1 GIAF COc1cccc(NC(=O)C(C)(C)C)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587388094 WCKKUVMDXDCMQB-SFHVURJKSA-N 382.460 4.277 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Br)cn1)CC2=O 587459067 MQSOWAHYTZNFKE-GOSISDBHSA-N 376.250 4.383 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(F)cc1C2 587567895 FQJUPACCXROWHC-OFNKIYASSA-N 376.383 4.421 0 1 GIAF CCOC(=O)C1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCC1 587592647 BJDLEBUGQBYYNR-AVRDEDQJSA-N 396.439 4.236 0 1 GIAF Cc1ccc(Cl)c(O[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)c1 587651785 ZSJZCLFUQXRGII-LLVKDONJSA-N 377.227 4.119 0 1 GIAF CCC(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587707779 WVFLBTJPGVIDDN-CLAHSXSESA-N 382.195 4.249 0 1 GIAF COc1cc(F)cc(OC)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587728210 RMMGWNOHVTYYHA-NIVTXAMTSA-N 398.247 4.368 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCNC(=O)C2CCCC2)N1 587753028 FPUSHSIAGPLJNP-MLGOLLRUSA-N 397.332 4.250 0 1 GIAF C[C@H]1CN(C(C)(C)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@@H](C)O1 587757857 BOEVGLRQRHVUTC-SDFXEEBMSA-N 399.348 4.051 0 1 GIAF CC[C@@]1(Cc2nc3ccc(C(=O)N(C)C)cc3[nH]2)CC(=O)c2ccccc2C1 587960301 KRNMRZKDAFBCIG-QHCPKHFHSA-N 375.472 4.033 0 1 GIAF CC1(C)CCC[C@]2(C)C3=C(COC3=O)C[C@@H](OC(=O)C=Cc3ccc(O)cc3)[C@@H]12 2356323915 FLLYIKBNXZGXFU-UTSGNWPNSA-N 396.483 4.407 0 1 GIAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)C[C@H]12 205210631 PBKGYORJZSMJEE-YOEHRIQHSA-N 375.255 4.177 0 3 GIAF COCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1c(F)cccc1Cl 2484761 AHOZQEBAOBNXTE-UHFFFAOYSA-N 392.789 4.316 0 1 GIAF CCOc1ccccc1C1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N(C)C 4205008 WGMSXJCLURRXJN-MJGOQNOKSA-N 390.842 4.058 0 1 GIAF CC(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 4475336 DIJBBUIOWGGQOP-PRDKCSMWSA-N 396.549 4.342 0 1 GIAF COc1ccc(S(=O)(=O)N2CCc3cccc(-c4ccc(F)cc4)c32)cc1 114318419 GJVIHMFOZUMEJJ-UHFFFAOYSA-N 383.444 4.253 0 1 GIAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1ccc2ccccc2c1 26948370 VLRFKKHQPLHEOA-FQEVSTJZSA-N 395.499 4.269 0 1 GIAF C[C@@H](Nc1c(Nc2ccnc(Nc3ccc(Cl)cc3)n2)c(=O)c1=O)C(C)(C)C 101595892 SSAPLLOWEWCVKP-LLVKDONJSA-N 399.882 4.060 0 1 GIAF CCN(CC)CCCOc1ccc2c(c1)CN(C)C[C@@H]2c1ccc(OC)cc1 28818087 XVGGLWKPTSTHJU-XMMPIXPASA-N 382.548 4.383 0 1 GIAF COc1ccccc1-c1cn(C)c(CSc2nc3cc(C)cc(C)n3n2)n1 113422559 VDWCDWMCKUWNRH-UHFFFAOYSA-N 379.489 4.048 0 1 GIAF Cc1ccc(-c2nnc(NC(=O)COc3ccc(F)cc3Cl)o2)cc1C 66167139 OGGYCTMNWHLDPZ-UHFFFAOYSA-N 375.787 4.163 0 3 GIAF COc1cc(F)ccc1-c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)[nH]n1 61906786 SVHUZGYUTZZRPR-UHFFFAOYSA-N 393.340 4.173 0 3 GIAF OCc1ccc(-c2noc(-c3cnn(C4CCCCC4)c3[C@H]3CCCO3)n2)cc1 114562888 DAJQGDYMHDEACX-LJQANCHMSA-N 394.475 4.449 0 1 GIAF CC(C)=CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O 33955080 STPUFZJFXIWGCZ-SIIFEQSASA-N 392.536 4.197 0 1 GIAF CNc1nccc(N(C(=O)NCc2ccccc2Cl)c2ccc(OC)cc2)n1 35878665 RDQKGXGRDZHMBY-UHFFFAOYSA-N 397.866 4.228 0 1 GIAF COc1ccccc1N1CCN(CCSc2nc3ccccc3s2)CC1 40378996 JNIWBWPRMZRFLQ-UHFFFAOYSA-N 385.558 4.219 0 1 GIAF in-vitro Cc1ccsc1C(=CCCN1CCC[C@@H]1[C@H](N)C(=O)O)c1sccc1C 299853951 RWWDPIHHBIWVPN-SJORKVTESA-N 390.574 4.125 0 1 GIAF COC(=O)c1ccnc2[nH]c(-c3cccc(N)c3Nc3cc(C)cc(C)c3)nc12 587241011 NKRDYCCYASUADJ-UHFFFAOYSA-N 387.443 4.354 0 1 GIAF Cc1cc(-c2nc3cc(N)c(N)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145028 REUCJKOBQGPTJD-UHFFFAOYSA-N 376.391 4.207 0 1 GIAF O=S(=O)(NCc1ccco1)c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587217520 WZZXJKIPPQIDMW-UHFFFAOYSA-N 390.464 4.072 0 1 GIAF CC[C@H](C)OC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587343981 AYKOJVJSPURSQC-NJDIQBRYSA-N 386.419 4.381 0 1 GIAF CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587597232 QDVMWCNAVBYPCQ-SIKLNZKXSA-N 378.380 4.199 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(F)ccc(Br)c31)O2 587387982 YATIQTKXSLEIQT-GOSISDBHSA-N 376.225 4.286 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(F)cc(Cl)cc3[nH]2)cc1 586940230 XPCDWAIRFBDZHC-SNVBAGLBSA-N 381.860 4.099 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCNC(=O)C2CCCC2)N1 587757489 VIPZVKUOBBEUTQ-SGTLLEGYSA-N 397.332 4.250 0 1 GIAF C=C1N=C2N=CNN2C(C)=C1c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096605 LZFFRPKSLBVHBL-UHFFFAOYSA-N 391.434 4.217 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(S(=O)(=O)C(C)C)c1)CC2=O 587488883 SDFLEGZUBXMOSK-FQEVSTJZSA-N 388.485 4.233 0 1 GIAF CN[C@H](c1cccnc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587221179 FVFAZUQTVNNVFF-GFCCVEGCSA-N 385.187 4.048 0 1 GIAF Cc1cc(Br)cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 586924985 DKHFSDPDKVUJJK-FPLPWBNLSA-N 377.263 4.078 0 1 GIAF Cc1cccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587169867 CZMMRJBYZIUNLB-UHFFFAOYSA-N 381.432 4.478 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3cc(Br)ccc31)O2 587374075 WZPQRPJIMMTZST-LJQANCHMSA-N 388.261 4.373 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1cccnc1)[C@@H](C2)C3=O 587419467 FHWRJAMVROKIFD-AVRDEDQJSA-N 377.827 4.435 0 1 GIAF COC(=O)C[C@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587381123 GKORMWYKYZDHFL-IBGZPJMESA-N 393.361 4.020 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C(=O)OC(C)(C)C)C2)N1 587789454 CTINKRPJALMKEB-VJIIGADZSA-N 384.289 4.069 0 1 GIAF CCOC(=O)[C@@H](C(C)C)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441996 NPHGIYDZGCBKRH-JLGINSKQSA-N 394.467 4.173 0 1 GIAF Cn1cc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)cn1 587578662 AYHJTYQIIFVWFA-ZJSXRUAMSA-N 398.418 4.496 0 1 GIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 587784000 CNCJCVSZGADJRF-STQMWFEESA-N 376.334 4.405 0 1 GIAF Clc1cnc2[nH]c(-c3csc(=Nc4cccc5ncccc45)[nH]3)nc2c1 587017580 MDFLLYSFDPXWGN-UHFFFAOYSA-N 378.848 4.449 0 1 GIAF Oc1ccc2c(c1)[C@@H](c1ccc(Oc3nccc(C(F)(F)F)n3)cc1)NCC2 963351357 GQCSYAMWMFSBRE-GOSISDBHSA-N 387.361 4.228 0 1 GIAF CC(C)c1nn(C)c2c1[C@@](COCc1ccccc1)(c1ccc(F)cc1)NCC2 962914243 DSJMSZHPOUYRQT-XMMPIXPASA-N 393.506 4.289 0 1 GIAF C[C@]1(C[C@@H]2C=CCC2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962926817 VMIWGDMETUXGSU-LDLFBNOTSA-N 379.456 4.355 0 1 GIAF C[C@H](O)[C@@]1(c2cccc(Cl)c2)c2ccsc2CCN1Cc1cccn1C 962376245 VAGFUWOTGAAZEK-YCRPNKLZSA-N 386.948 4.423 0 1 GIAF COc1cc2ccc(=O)oc2cc1OC(=O)c1c(C)noc1-c1ccccc1F 1772623384 ROZPRYAKJIVBKO-UHFFFAOYSA-N 395.342 4.123 0 1 GIAF Cc1ccccc1C[C@]1(CO)CCCN(C(=O)c2cc(Cl)ccc2F)C1 12595875 UYOGIKDWKWMGOR-OAQYLSRUSA-N 375.871 4.245 0 3 GIAF Cc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C2CC2)N3)c1C 13123786 JTYMSCDOVQMAOF-GDBMZVCRSA-N 378.398 4.450 0 1 GIAF aggregator Cc1nc2c(c(C(F)(F)F)nn2-c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]1 13585092 QPUJEJNGRQGCRM-UHFFFAOYSA-N 397.571 4.396 0 1 GIAF COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(CC=C(C)C)c1OC 14762665 LMJYCCOYYJEVOW-SFHVURJKSA-N 384.428 4.330 0 1 GIAF endogenous,in-man O=C(c1cccc(Cl)c1)N1C[C@@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205220492 ANTVWJJYSNQDDH-WFASDCNBSA-N 379.218 4.008 0 3 GIAF CC(C)Nc1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@@H]2C(=O)O 1857536758 XOTSSWSYQJHLPH-GOSISDBHSA-N 394.496 4.144 0 1 GIAF Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1-c1ncccn1 1857769767 FTAHCKYLIXQKDW-UHFFFAOYSA-N 376.504 4.198 0 1 GIAF O=C(O)COc1c(C(=O)O)sc(-c2ccc3ccoc3c2)c1Br 14955090 IQTJDMPKMUOXEW-UHFFFAOYSA-N 397.202 4.085 0 1 GIAF Oc1cc2c(cc1OCCCN1CCN(c3cccc(Cl)c3)CC1)CCC2 26573286 RDAGWDUZCGNKKA-UHFFFAOYSA-N 386.923 4.125 0 1 GIAF CC(C)=CCC/C(C)=C\CC/C=C/COC[P@](=O)(O)CP(=O)(O)O 27708713 QJLNYEFJELKUET-XAUIPXBCSA-N 380.358 4.395 0 1 GIAF O=C(O)c1ccc2c(c1)/C(=C/Cn1c(O)nc3ccccc31)c1ccccc1CO2 100641960 CRUUOXDOAAENSX-WOJGMQOQSA-N 398.418 4.464 0 1 GIAF CNc1nnc(-c2ccc3[nH]cc(-c4cccc(-n5ccnc5C)n4)c3c2)s1 204765661 ZQGBFVDBBAKHCQ-UHFFFAOYSA-N 387.472 4.284 0 1 GIAF CC(C)(C)OC(=O)NCc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1 205631124 SRVYWMPHAPBHFJ-UHFFFAOYSA-N 395.434 4.165 0 1 GIAF Cc1oc(-c2ccccc2)nc1Cc1cccc([C@H]2CO[C@@](C)(C(=O)O)OC2)c1 261112069 IFEOWNWFZPXWJM-OKDJAKQTSA-N 393.439 4.172 0 1 GIAF Cc1ccc(-n2ccnc2SCc2nc3cc4c(cc3[nH]2)OCO4)c(C)c1 586967159 YDMWPEJOACJDAX-UHFFFAOYSA-N 378.457 4.386 0 1 GIAF Cc1onc(-c2nc3cc(C(=N)N)ccc3[nH]2)c1COc1ccccc1Cl 587063473 NUZUWTUOHSTRCW-UHFFFAOYSA-N 381.823 4.043 0 1 GIAF Fc1cc(F)c(-c2nc3cc(Br)ncc3[nH]2)cc1Br 587138078 VJYMZULPUHZRFV-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF C[C@]1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175302 XPNOJVNPKYSYSC-QGZVFWFLSA-N 380.297 4.229 0 1 GIAF Cc1c(Cl)ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587195651 GMDMIJPXSWTAGU-ZDUSSCGKSA-N 379.888 4.441 0 1 GIAF COc1cc(Br)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587375697 FIIZLLUYTPARGN-OAHLLOKOSA-N 392.249 4.063 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCOc4cc(Cl)cc(Cl)c41)[C@@H](C2)C3=O 587420106 HAXBALCXKGISFI-HXPMCKFVSA-N 377.223 4.427 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(F)c(C)cc1Br)[C@@H](C2)C3=O 587422214 CCWCXSKPIIJFGC-KPZWWZAWSA-N 377.209 4.394 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)OC)[nH]c3ccccc13)CC2=O 587480144 CMNYQXMCUUVVCG-GOSISDBHSA-N 379.412 4.319 0 1 GIAF O=C1C[C@H](c2ccc(OC3CCOCC3)nc2)Oc2c1ccc1c2CCCC1 587514808 KCMFGLZMVHUSHC-OAQYLSRUSA-N 379.456 4.225 0 1 GIAF COc1ccc2c(c1F)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573567 ZQIMMCFLRAPUNP-XXBNENTESA-N 392.382 4.343 0 1 GIAF CC(C)(O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587607466 IPJYTCDQNVMHQU-RDPSFJRHSA-N 390.435 4.497 0 1 GIAF O=C(c1ccc2ccccc2n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659911 JRVLKSJGHYLACN-UHFFFAOYSA-N 395.393 4.439 0 1 GIAF COc1c(F)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587721650 PWYCIWRAWPUHHJ-ZKANADHPSA-N 386.211 4.499 0 1 GIAF COc1c(F)cc(F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587722955 UTYFZDSEVXZQHS-ZKANADHPSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)cc2F)N1 587724689 LGUYLIVGZKBQIV-PWJLMRLQSA-N 382.204 4.049 0 1 GIAF CNc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1N 587743548 OWEOALJTKCTENN-MGNBDDOMSA-N 378.289 4.010 0 1 GIAF CCCCOC(=O)[C@@H]1CCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587791875 IZMHKGVXDCBBCF-PJFSTRORSA-N 398.316 4.461 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3oc(CO)cc3c2)N1 587832810 LBNPWWCPXCPLQD-APBUJDDRSA-N 390.252 4.450 0 1 GIAF O=C(CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(C(F)(F)F)cc1 1857751496 WVIQCGOXMYDDMD-UHFFFAOYSA-N 380.385 4.240 0 1 GIAF CC1=C[C@H](CN(C)CCO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 2356316647 FAUZOWFXSCBIKF-BDTNDASRSA-N 397.563 4.366 0 1 GIAF C[C@H](C=CC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356814120 BXUVIKFICAYYEQ-MELFLNCCSA-N 390.564 4.254 0 1 GIAF COc1ccc(CNC(=O)c2sc3nc(C)c(Cl)c(C)c3c2N)cc1 95596655 DXWALVHYDVZYAY-UHFFFAOYSA-N 375.881 4.087 0 3 GIAF C[C@H]1CCC[C@H](Oc2cccc(-c3nc4cc(C(=N)N)c(F)cc4[nH]3)c2O)C1 13444387 AJFFZXMHLLIFML-RYUDHWBXSA-N 382.439 4.316 0 1 GIAF Cc1ccc(C[C@H](N)[C@H]2c3[nH]c4ccc(Br)cc4c3CCN2C)cc1 23377885 FHPDHCCEDGUNMX-RXVVDRJESA-N 398.348 4.338 0 1 GIAF biogenic O=C(c1ccccc1Cl)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26010174 CUBNONXGJLEYRB-QGZVFWFLSA-N 396.661 4.009 0 1 GIAF O=C(O)c1cn2c3c(c(Cl)c(F)cc3c1=O)S[C@@H](c1ccc(F)cc1)C2 27099235 FLJAWEMNOIXWEA-CYBMUJFWSA-N 393.798 4.478 0 1 GIAF CCOC(=O)NC1=N[C@H](c2ccc(OCc3ccccc3)cc2)CN1C(C)C 27713562 MGSPLVJUACTLEM-FQEVSTJZSA-N 381.476 4.133 0 1 GIAF N[C@@H](C[C@H](CC1CCC(c2ccccc2)(c2ccccc2)CC1)C(=O)O)C(=O)O 27876865 XNYPWQVEGPWBHH-RXVVDRJESA-N 395.499 4.056 0 1 GIAF O=C(Nc1ccc2ccccc2c1)[C@H](c1coc2ccccc12)P(=O)(O)O 40576548 VKKQKJLANFGNJN-IBGZPJMESA-N 381.324 4.444 0 1 GIAF Cc1cc(Nc2ncc(F)c(-c3cnc(C)n3C(C)C)n2)ccc1C(=O)N(C)C 40846717 HJQWAOOLYPCQMS-UHFFFAOYSA-N 396.470 4.122 0 1 GIAF CS(=O)(=O)Nc1ccc([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1 45388091 YBGNBXBXNCHMCA-HXUWFJFHSA-N 390.468 4.116 0 1 GIAF CCC/C=C1/OC(=O)C2=C1CC[C@H]1[C@H]2[C@@]23C=CCC[C@@H]2[C@]1(C(=O)CCC)OC3=O 95918969 IRKACHWWOSXIEC-DCTJMJINSA-N 396.483 4.181 0 1 GIAF biogenic,in-vitro CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cc(Cl)ccc1OC(F)F 104060008 KYOFFFNOHYECBG-BSHRGCEOSA-N 384.770 4.034 0 1 GIAF CCN/C=C1\N=C2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3N2C1=O 138413449 UGMYZVSYKHHNLG-YBEGLDIGSA-N 399.281 4.040 0 1 GIAF Cc1cc(Nc2ccc3nc(C)cc(N)c3c2)nc(N[C@H](C)CCCN(C)C)n1 169308345 HYOHIKTYHWSZKP-CQSZACIVSA-N 393.539 4.110 0 1 GIAF COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 195426329 VVOONWVRIYRRAY-XXMSVSDPSA-N 380.415 4.264 0 1 GIAF O=S(=O)(c1ccccc1)n1c(CCc2ccccc2)nc2cc(F)ccc21 299865135 NITWYQCPBZCMLL-UHFFFAOYSA-N 380.444 4.198 0 1 GIAF CCc1ccc(-c2nc3ncc(I)cc3[nH]2)cc1CC 586880215 VHRYPJUIKWOOMI-UHFFFAOYSA-N 377.229 4.354 0 1 GIAF CCOC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 587108938 JOJOVDADIRYNMV-UHFFFAOYSA-N 378.306 4.124 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(-c3cc(S)ccc3F)nc2c1 587140457 GWKBRPPYSZGYRO-UHFFFAOYSA-N 381.226 4.207 0 1 GIAF COC(=O)c1cc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2cn1 587247912 XOZGQPKBYVCBFH-UHFFFAOYSA-N 388.427 4.159 0 1 GIAF C[C@@H](Oc1cccc(F)c1-c1ccc2c(O)nc(O)nc2n1)c1ccccc1 587368986 ZBTQZRVQVWDFOZ-GFCCVEGCSA-N 377.375 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3cccc(Cl)c3Cl)nn1)O2 587378733 PIGJRPXAWIESGQ-INIZCTEOSA-N 389.242 4.171 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cn1nc(C(F)(F)F)cc1C1CC1)O2 587383256 RTVWOCGZIQXBQI-GOSISDBHSA-N 379.382 4.094 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(S(=O)(=O)CC3CCCC3)c1)O2 587408332 FQHNYIYPMLHEQA-OAQYLSRUSA-N 399.512 4.248 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CCC[C@@H]1C(=O)OC 587484185 YSXGYRBTWIXRAK-NTKDMRAZSA-N 394.467 4.331 0 1 GIAF Cc1ccc2nc(O)c(-c3ccc4c(O)nc(O)nc4n3)c(-c3ccccc3)c2c1 587554209 GJFXZSHFIGPIAU-UHFFFAOYSA-N 396.406 4.332 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1c(F)cc(F)cc12 587571597 QRXDUBUXCXZALZ-GCJKJVERSA-N 396.345 4.310 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ncccn1 587587576 OPASQHQNWIRLJU-GBXCKJPGSA-N 396.402 4.088 0 1 GIAF CCC(=O)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601297 RWEAEYBMECDDFL-REWPJTCUSA-N 390.391 4.411 0 1 GIAF C[C@@]1(c2nc3c(s2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587617112 IQBKWCJZZIUPBN-LAUBAEHRSA-N 379.437 4.214 0 1 GIAF CCO/C=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587707576 VZWHSYIRXVQARJ-LFEVEYAASA-N 382.195 4.430 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2C(=O)C(F)(F)F)N1 587709174 JCBISOOOZOGLBA-FFIJEWMLSA-N 394.206 4.249 0 1 GIAF CC(C)Oc1ncccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587768936 FDQYJADHOYCEEV-APPDUMDISA-N 379.273 4.394 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccc(O)c3n2)N1 587776452 CVPINRZSRCCNQI-APBUJDDRSA-N 387.252 4.466 0 1 GIAF CCC[C@@]1(c2c[nH]c(C(=O)O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795964 ZBKFNBMSQIDPEY-MGNBDDOMSA-N 395.272 4.192 0 1 GIAF C[C@H](CF)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(/C=C/C(=O)O)cc1 653739070 OKWJLRRHPCPWQK-UZMCWQSLSA-N 383.463 4.432 0 1 GIAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@@]34CCCc3scnc34)C2)cc1 962633728 GLLURWKOQSFEKF-GBXCKJPGSA-N 387.552 4.470 0 1 GIAF COc1cccc(-c2nc(Nc3ccc(OC)c(OC)c3)c3cccnc3n2)c1 1772602617 PSEVAJQEEUSDQJ-UHFFFAOYSA-N 388.427 4.461 0 1 GIAF CO[C@H](c1[nH]c(=NC2CCCC2)nc(O)c1C)c1c(Cl)cccc1Cl 1857559681 ODJJJFMIFIOSBO-INIZCTEOSA-N 382.291 4.310 0 1 GIAF COc1cc(C(=O)c2cccc(-c3c[nH]c4ccccc34)n2)cc(OC)c1OC 1857586230 HHVSUGLDOVTAIT-UHFFFAOYSA-N 388.423 4.487 0 1 GIAF Cc1cc2nc(N3CCC(N)CC3)n(Cc3ccc(F)c(Cl)c3)c2cc1C 1857644901 LXHIDTRNGJQPTG-UHFFFAOYSA-N 386.902 4.421 0 1 GIAF COc1ccc(-c2c(O)oc3cc4c(c(OC)c3c2=O)C=CC(C)(C)O4)cc1 100234619 SFVFJKHOSOINJC-UHFFFAOYSA-N 380.396 4.367 0 3 GIAF in-vitro COc1cc2c(c(OC)c1OC)C1(CCCCC1)C[C@@H]2NC(=O)c1ccncc1 199724308 FPWWMEDPVAQRGS-KRWDZBQOSA-N 396.487 4.184 0 3 GIAF COc1cccc(CN2C(=O)COCc3ccc(-c4ccccc4OC)cc32)c1 205228938 HDNJNMDJTRNVAB-UHFFFAOYSA-N 389.451 4.434 0 3 GIAF CC(C)C(C/C=C1/C[C@@](CO)(COC(=O)C2CCCCC2)OC1=O)C(C)C 1655270 MQVKKNWFZZUPHW-JRWCFKBVSA-N 380.525 4.033 0 1 GIAF CC(=O)Nc1ccc(N2C(=O)CS[C@H]2c2ccc(Br)cc2)cc1 2478716 AARCWQGVEIPBEP-KRWDZBQOSA-N 391.290 4.186 0 1 GIAF C[C@@H](c1ccc(-c2ccccc2C(F)(F)F)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14948189 MPKSBNSYHKMKRP-AXHNFQJDSA-N 394.412 4.374 0 1 GIAF CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccnc2Cl)[C@H]1c1cccs1 20507894 MMVNGZPWVBJXCK-DLBZAZTESA-N 397.887 4.346 0 1 GIAF O=S(=O)(Nc1nccs1)c1cc(-c2nc3ccccc3s2)cs1 35826161 YFHYMEDHUPKGAK-UHFFFAOYSA-N 379.513 4.282 0 1 GIAF CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3-c3nnn[nH]3)cc2)cc1 40575347 WDNYWJNULOVFPL-UHFFFAOYSA-N 398.470 4.479 0 1 GIAF COc1cccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)c1 43025133 NCXRDDKPZUSAQF-UHFFFAOYSA-N 385.552 4.085 0 1 GIAF CO[C@@H](C(=O)N[C@@H](CCN(C)C)c1ccc2ccccc2c1)c1ccccc1 45286304 UKHRRYOEYHKXOT-XZOQPEGZSA-N 376.500 4.337 0 1 GIAF O=C(O)C1=CNC=C(C(=O)OC/C=C/c2ccccc2)[C@H]1c1cccc(Cl)c1 84654931 ZANHNVIIYGGYGW-FKIZTMCRSA-N 395.842 4.136 0 1 GIAF COc1ccc([C@H]2COc3c(C=O)c(O)cc(OC)c3C2)c(O)c1CC=C(C)C 85956016 KZQAGRHRFKIERV-CQSZACIVSA-N 398.455 4.155 0 1 GIAF endogenous,in-man O=C([C@H]1COC2=C(C=C=CC2)O1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 95559203 NOIAVZKNIYIVJV-NFBKMPQASA-N 384.435 4.106 0 1 GIAF COc1cccc2cc(-c3ccc(C(=O)c4cc(C)ccc4O)cn3)c(=O)oc12 98083601 KMMZCZUZFVXRDA-UHFFFAOYSA-N 387.391 4.109 0 1 GIAF CS(=O)(=O)c1cc(C(=O)O)c(NCc2ccccc2)cc1Oc1ccccc1 169341352 YLXNWYOMKBBFTP-UHFFFAOYSA-N 397.452 4.193 0 1 GIAF O[C@H](COc1cccc(-c2cccc(F)c2F)c1)CN1CCc2ccccc2C1 219723713 BRFCGIVIHDNITB-FQEVSTJZSA-N 395.449 4.430 0 1 GIAF N[C@@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@H]1c1ccc(Cl)cc1Cl 253680159 XNMANXSJGMEZSD-GOEBONIOSA-N 391.327 4.443 0 1 GIAF Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccc5c(c4)OCO5)cc3)c12 473154393 GWXFTLKHWKDIOO-UHFFFAOYSA-N 387.399 4.185 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586915121 BAYHBGUPFSIRGG-QRQCRPRQSA-N 390.418 4.104 0 1 GIAF Cc1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1C 586952835 IJLJNHHVSZISFL-UHFFFAOYSA-N 384.486 4.104 0 1 GIAF FC(F)(F)Oc1ccc2c(-c3nc4c(Br)cncc4[nH]3)n[nH]c2c1 587127619 ZULCNLGCYYPIFF-UHFFFAOYSA-N 398.142 4.162 0 1 GIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccco1 587411385 ISADXYDLKWQAAN-LJQANCHMSA-N 393.395 4.105 0 1 GIAF CCN(CC)Cc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587427663 DUODVZPMSIPZOI-WZONZLPQSA-N 381.472 4.034 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(C1CCNCC1)CC2=O 587465761 GNSFWKVFERSIRQ-HSZRJFAPSA-N 383.463 4.344 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H]2C[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@H]2C1 587518790 PRLPSEYEGQDGJE-WIRVKHDMSA-N 383.488 4.156 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)co1 587548218 TYVITHQHZAMPTF-MAUKXSAKSA-N 387.185 4.451 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)co1 587548220 TYVITHQHZAMPTF-YJBOKZPZSA-N 387.185 4.451 0 1 GIAF COCc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC 587592758 KEYPCUFFPMPBJG-REWPJTCUSA-N 392.407 4.250 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccn2)(C2CC2)N1 587775391 ZSZLZNHIWKOLAA-CWTRNNRKSA-N 375.285 4.365 0 1 GIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O 587804939 DMSBDILUGGSTJJ-YPMLDQLKSA-N 380.257 4.100 0 1 GIAF COC(=O)[C@@H]1CCCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587805614 IBMTTXCGFQUEBN-SUFBMKPHSA-N 384.289 4.071 0 1 GIAF COc1ccc2c(c1)CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587808958 OYTPPIOWWXZPPV-JEOXALJRSA-N 376.269 4.321 0 1 GIAF COC(=O)c1csc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587850340 YOQDNOSIMPBWNI-XYZCENFISA-N 398.297 4.234 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C(F)(F)F)cs1 587868314 KEGSMPQXBHEFLE-UHFFFAOYSA-N 394.300 4.437 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc(C[C@H](C)CCC(=O)O)[nH]c3c2)cc1 587962128 AIOQRDKANJVPJF-CYBMUJFWSA-N 382.416 4.185 0 1 GIAF Cc1c([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)nc2ccccn12 962639717 LVVVITGJILVSHU-NVQXNPDNSA-N 394.522 4.479 0 1 GIAF Cc1c(Br)cccc1[C@]1(C)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963033192 QHXOGVGXNADKFX-RBZFPXEDSA-N 385.305 4.074 0 1 GIAF COc1ccc([C@@H]2[C@@H]3C=CC=C[C@H]3C(=O)N2c2ccc3nc[nH]c3c2)cc1OC 1772605814 AHLRAQVRFHDKHB-DRSNIGMVSA-N 387.439 4.026 0 1 GIAF Clc1ccc(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)cc1 199271179 DNQHYWHTGJGOPA-UHFFFAOYSA-N 378.907 4.043 0 3 GIAF Fc1ccc(-c2nn(-c3c(F)c(F)nc(F)c3F)nc2-c2ccncc2)cc1 13445017 DMKVQBIYSDLDIS-UHFFFAOYSA-N 389.287 4.087 0 1 GIAF CN1CC[C@H](c2ccc(Cl)cc2)[C@H](CSCC(=O)N2CCCCC2)C1 13677522 VXDYZTDYUKVXNJ-PKOBYXMFSA-N 380.985 4.121 0 1 GIAF O=C1NC(=O)[C@H](Cc2ccc(OCc3nc(-c4ccccc4)cs3)cc2)S1 26578080 LROPPGYGCFVJLT-KRWDZBQOSA-N 396.493 4.283 0 1 GIAF CN(C(=O)Nc1ccccc1)C1CCN(CCc2c[nH]c3ccccc23)CC1 27996246 IBRQBZTUPBDQSZ-UHFFFAOYSA-N 376.504 4.339 0 1 GIAF Cc1cc(OCCCN2CCC[C@@H](N)C2)ccc1-c1nc2c(C)c(F)ccc2[nH]1 49089249 NGYCNCUOXVCKSV-QGZVFWFLSA-N 396.510 4.178 0 1 GIAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)c1cnccn1 72177885 ONVLREVIUSKYQD-FQEVSTJZSA-N 378.863 4.478 0 1 GIAF COc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2N)cc(OC)c1OC 73198904 RZUZXKRDIPKRPF-UHFFFAOYSA-N 378.428 4.214 0 1 GIAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1 82132548 NZPKXGCJRFDWHL-XLIONFOSSA-N 378.520 4.442 0 1 GIAF CCCCCNc1ncnc2c1nc(C[C@H](C)c1ccccc1)n2CCOC 82186733 QJRLFQOMVMNNJM-KRWDZBQOSA-N 381.524 4.421 0 1 GIAF N=C(N)SCc1ccccc1Oc1ccc(Cl)cc1CSC(=N)N 84672009 PRPQTNNNBBPHAK-UHFFFAOYSA-N 380.926 4.386 0 1 GIAF CC[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1C1CCC1 88345624 KFMQGNZMAPLSFW-INIZCTEOSA-N 388.475 4.264 0 1 GIAF C[C@H](O)[C@H](C)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 103303281 MAUKISZQMSQDOJ-HOTGVXAUSA-N 393.453 4.472 0 1 GIAF COc1cc(Cn2c3ccc(C(C)=O)cc3c3cccnc32)cc(OC)c1OC 140836794 NYMMDHGEECPYAW-UHFFFAOYSA-N 390.439 4.466 0 1 GIAF CCOC(=O)c1ccc(NC2CCCC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146757362 SOTOYEPXQBPCHF-UHFFFAOYSA-N 379.460 4.065 0 1 GIAF Cc1nnc(CN(C)C)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl 169319849 ILMPEPFUBIMVQN-UHFFFAOYSA-N 389.286 4.175 0 1 GIAF O=C(Nc1cc(-c2noc(C3CCC3)n2)ccc1F)c1cnc2ccccn12 206118628 XBZQIWZQXUSRKJ-UHFFFAOYSA-N 377.379 4.043 0 1 GIAF Cc1ccc(-c2ccc(-c3nc4cc(S(=O)(=O)N(C)C)ccc4[nH]3)cc2)o1 586904816 BQVGOGNYYVZBRZ-UHFFFAOYSA-N 381.457 4.049 0 1 GIAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O 586989752 DQFKCABJMXIVID-RZFZLAGVSA-N 385.419 4.391 0 1 GIAF CCn1cc(Br)c(Cc2nc3ccc(Br)c(C)c3[nH]2)n1 587002143 WXPNGFRVASEOPI-UHFFFAOYSA-N 398.102 4.204 0 1 GIAF Cc1ccc2c3c(c4c(nc13)[C@@H](Cn1cncn1)CCC4)-c1ccccc1C2=O 587096192 FJTKNFISFYZZBA-OAHLLOKOSA-N 380.451 4.466 0 1 GIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2ccc(Br)nc2[nH]1 587116168 QRYHTZCXUOUEEK-UHFFFAOYSA-N 394.154 4.349 0 1 GIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(F)c(F)c(F)c4[nH]3)cc2N1 587126717 MKJDGPCXZLBQEL-SSDLBLMSSA-N 375.276 4.151 0 1 GIAF Cc1noc([C@@H]2CCC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)n1 587347103 OGFXWTICTBTDGS-LRXVAGHRSA-N 394.402 4.288 0 1 GIAF COc1cncc(NC(=O)OC(C)(C)C)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587391033 RPNWOGUVALFNAV-INIZCTEOSA-N 399.447 4.034 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4c(Br)cccc14)[C@@H](C2)C3=O 587418668 UVYUSTUTGULJCG-BUXKBTBVSA-N 384.229 4.428 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](Cn1ccnc1)(c1ccc(F)cc1)CC2=O 587466856 NKBJEKAOSKPZAM-QFIPXVFZSA-N 380.419 4.241 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cccc(C(=O)OC)c13)CC2=O 587482817 KJLKPCKYWCYVCS-LJQANCHMSA-N 379.412 4.319 0 1 GIAF CCO[C@H](C)c1ccc([C@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587510501 KXUMUDGZBONSPT-VOIUYBSRSA-N 379.500 4.482 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccc(Cl)cn12 587552919 TUIRDKOKOIUXBJ-RXVVDRJESA-N 392.798 4.396 0 1 GIAF CN(C)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587573221 SEDGREXPDDRAOH-NZQKXSOJSA-N 375.424 4.335 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587593938 GCJIMABVDDXUPG-RNRVAENMSA-N 396.439 4.092 0 1 GIAF CCOC(=O)c1ccsc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614847 VLDAPISGINLZIA-LPHOPBHVSA-N 396.420 4.333 0 1 GIAF O=C(c1c(F)cccc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658594 PRJXWNXQESQAKB-UHFFFAOYSA-N 380.325 4.169 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c[nH]2)N1 587685581 RPHNIMNWURCWDA-NXSYQRQQSA-N 388.078 4.302 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccc(Cl)cc2)N1 587696805 FQWQRDJIZXIXJN-BMLIUANNSA-N 384.676 4.012 0 1 GIAF CCOC(=O)C[C@]1([C@H](C)CC)N[C@H](C)Cc2ccc(F)c(Br)c21 587794812 GUKMYEUGISOGTD-SEDUGSJDSA-N 386.305 4.317 0 1 GIAF CCOC(=O)C1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 587798985 QQFBQHIIYUKSKA-PIGZYNQJSA-N 384.289 4.071 0 1 GIAF COc1ccc2c(c1)[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804832 CBMWHMPVYDMJHR-WLRWDXFRSA-N 376.269 4.321 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc4c(cc32)OCO4)N1 587836580 AMZAOMMVFPCDDK-DGIBIBHMSA-N 390.252 4.041 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3nsnc3c2)N1 587857651 MJPBKMHTGQPFAN-PWJLMRLQSA-N 378.270 4.217 0 1 GIAF CC[C@H](Cc1ccc(C(=O)NCc2ccccc2Br)cc1)C(=O)O 653780494 PQIGOTKMANBDNZ-CQSZACIVSA-N 390.277 4.032 0 1 GIAF CC1(C)C[C@H]([C@@]2(Cc3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)CCO1 962918480 IDDLITFVODMXEV-UTSGNWPNSA-N 397.490 4.068 0 1 GIAF CCCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3c(OC)ccc(OC)c31)O[C@@H](C)C2 963612710 TWGHPMGJAYGYOV-IYPVNNRCSA-N 397.515 4.440 0 1 GIAF CCOC(=O)Nc1ccc(NCc2ccc(SC(F)(F)F)cc2)nc1N 1772622345 SZCQFUIXQWCIRR-UHFFFAOYSA-N 386.399 4.456 0 1 GIAF CC1(C)OC(=O)N([C@H]2CC[C@H](NC(=O)c3ccncc3)CC2)[C@H]1c1ccccc1 1772654754 ORCZNVALQYVMEZ-UFYCRDLUSA-N 393.487 4.095 0 1 GIAF Brc1cc(Br)c[n+](CCc2c[nH]c3ccccc23)c1 1857537600 HIFXULUVONAVMB-UHFFFAOYSA-N 381.091 4.223 0 1 GIAF Cc1nn(-c2ccccc2)c2c1[C@H](c1cc3ccccc3s1)CS(=O)(=O)O2 1857558520 ARMDJJJZOGCRKZ-INIZCTEOSA-N 396.493 4.250 0 1 GIAF C/C=C/c1ccc(Nc2ncnc3ccc(OCCN4CCOCC4)cc23)cc1 1857647307 PSENFAJYYJPLLV-NSCUHMNNSA-N 390.487 4.118 0 1 GIAF COc1cccc([C@@]23CCC[C@@H](C2)N(C)C[C@@H]3OC(=O)c2ccccc2)c1OC 1657966 BEGZOARTFIXUBE-NSXLHWASSA-N 395.499 4.055 0 1 GIAF O=C(NCCCNc1cc(=O)c2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 13487752 OGMMLIFCZAGCMA-UHFFFAOYSA-N 390.270 4.067 0 1 GIAF CCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 13832044 UIURDUAWZYDDTO-UHFFFAOYSA-N 392.499 4.059 0 1 GIAF COc1cccc(N2C(=O)[C@H]3c4[nH]c5ccccc5c4[C@H]4CCC[C@H]4[C@H]3C2=O)c1 17223974 OHMBYDILZVAUPW-OBNJBMLMSA-N 386.451 4.347 0 1 GIAF O=C(CN1CCC(n2cnc3cc(F)ccc32)CC1)Nc1ccc(Cl)cc1 36638174 OUOGISKKAPHPJZ-UHFFFAOYSA-N 386.858 4.104 0 1 GIAF CCNc1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 49032735 GQSJGNQPKLGYJZ-UHFFFAOYSA-N 395.513 4.423 0 1 GIAF C[C@H]1CCCN(C(=O)/C(NC(=O)c2ccccc2)=C(/Cl)c2ccccc2)C1 72177661 YYDXZEBBRPEUFC-JVMRMLDLSA-N 382.891 4.283 0 1 GIAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccccc2F)C1 82151637 WJNQUDYPTLMDIN-HZPDHXFCSA-N 384.499 4.390 0 1 GIAF O=c1c2c3c(sc2nc(/C=C/c2ccccc2)n1-c1conc1O)CCCC3 96928943 YRKXMXQJMXEXKX-ZHACJKMWSA-N 391.452 4.190 0 1 GIAF C[C@@H](Sc1ccc(Br)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 101471390 BTSSXYAVXYRPTA-XBFCOCLRSA-N 384.339 4.098 0 1 GIAF CC[C@H](C)Cn1c(-c2c(F)cc(F)cc2F)c(Cl)nc(-n2cccn2)c1=O 138936480 GHHITMFEHPWKKF-JTQLQIEISA-N 396.800 4.213 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2csc(-c3cnccc3C(F)(F)F)n2)cc1 144875867 WVADYXNHZGIYSD-UHFFFAOYSA-N 399.419 4.262 0 1 GIAF COc1ccccc1N1CCN([C@H](c2ccccc2)[C@H](O)c2ccccc2)CC1 169334378 RYBKCSDAQTWVRQ-JWQCQUIFSA-N 388.511 4.292 0 1 GIAF Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(C2(C(F)(F)F)CC2)cc1 225939771 SDMVZUWEFWRXCR-UHFFFAOYSA-N 387.361 4.441 0 1 GIAF CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccccc1Cl 254091793 GEGHZQQXQVCRQJ-HDJSIYSDSA-N 384.915 4.371 0 1 GIAF Oc1nc2sccc2c(N[C@H]2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1 299830055 LWSORTKUYSYDMP-INIZCTEOSA-N 391.500 4.051 0 1 GIAF O[C@@H]1C[C@@H](OCc2ccc(F)cc2)CC[C@H]1N1CC=C(c2ccccc2)CC1 473110861 WYGYLMVTFOCJJD-RBZQAINGSA-N 381.491 4.414 0 1 GIAF O=[S@@](Cc1nc2cc3cn[nH]c3cc2[nH]1)C(c1ccccc1)c1ccccc1 586960892 QWPGTGVKNCOYDK-NDEPHWFRSA-N 386.480 4.478 0 1 GIAF COC(=O)c1ccc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586992688 RSBYPMNBGVCALW-UHFFFAOYSA-N 397.386 4.311 0 1 GIAF COc1cncc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c12 587031010 KRWJBYKYHCLWSO-UHFFFAOYSA-N 375.251 4.193 0 1 GIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(N)=O)cc2[nH]1 587034551 OSMKTSHGMXBANT-HNNXBMFYSA-N 392.484 4.148 0 1 GIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C)cc(F)c2[nH]1 587112279 HLHLEIYZCUNZMR-GOSISDBHSA-N 379.357 4.429 0 1 GIAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)cc1 587157498 AHBIXYQGGPJSDK-UHFFFAOYSA-N 396.399 4.095 0 1 GIAF COC(=O)c1ccc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2c1OC 587165928 HVCHWYFMTPCRJO-UHFFFAOYSA-N 393.418 4.478 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3nccc(NC(=O)C(C)(C)C)c3o1)O2 587388518 COGGZISPSKMCHR-GOSISDBHSA-N 393.443 4.410 0 1 GIAF COCCOCCCc1ccccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400929 SMTAPHBVCOHYOD-HSZRJFAPSA-N 383.488 4.053 0 1 GIAF CCOC(=O)CCCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587401988 UWEMRRZINWBHAK-HSZRJFAPSA-N 397.471 4.180 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(C=O)n(C)c1)CC2=O 587469473 FISNNTBSXYMDSN-DEOSSOPVSA-N 389.451 4.405 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncc2c(Cl)n[nH]c12 587550728 BQNOBVCOHWGXKP-DNVCBOLYSA-N 393.786 4.020 0 1 GIAF COC(=O)Cc1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587637995 HSXSQMSBSQAREW-UHFFFAOYSA-N 388.217 4.011 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(C(F)(F)F)N1 587708651 CVDORVOVYTWLPP-PSLIRLAXSA-N 389.190 4.323 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(F)c(O)cc32)N1 587731899 LZCLWHBAZVAJMC-YYSFKGJASA-N 380.232 4.157 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(-c3ccccc3)cn2)N1 587753001 GUTOIPQSDLXQDY-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF COC(=O)C[C@H](C)Cc1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587783124 GCAAQFVXXMTVKD-LLVKDONJSA-N 383.286 4.102 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1cccc(OC)c1 587870170 BDGWJNYILLSVOR-CQSZACIVSA-N 384.407 4.204 0 1 GIAF O=C1Nc2cc(Cl)c(F)cc2[C@@]12c1ccsc1CCN2Cc1ccco1 962700482 BMMJXJWYDKJKAC-IBGZPJMESA-N 388.851 4.388 0 1 GIAF CC(C)C[C@@H](N)[C@@]1(C(F)(F)F)c2ccsc2CCN1Cc1cccnc1 962991898 FTYHMNIBELHCIG-QZTJIDSGSA-N 383.483 4.332 0 1 GIAF COc1ccc(CO)cc1-c1cccc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772589175 OVCVEVWHHRRZFO-GOSISDBHSA-N 383.469 4.226 0 1 GIAF C[C@@H]1C(=O)N(C)c2ccc(C(=O)N3CCc4ccccc43)cc2N1C1CCCC1 1857753938 OLNZGNDZUGYCSZ-MRXNPFEDSA-N 389.499 4.003 0 1 GIAF CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](OC(=O)C=Cc1ccc(O)cc1)C=C1CO[C@H](O)[C@@H]12 2356324848 LOUSEAQLVXGKPV-RFFFMIPGSA-N 398.499 4.055 0 1 GIAF COc1ccccc1C(=O)Nc1ccnn1C1CCN(C[C@@H]2CC=CCC2)CC1 11933497 KZDWVNUTRYYBGK-GOSISDBHSA-N 394.519 4.137 0 3 GIAF O=C(NCc1ccccc1)c1cc([C@H]2CCCCN2C(=O)c2cccs2)on1 61906680 YTCPLVWISBURQI-QGZVFWFLSA-N 395.484 4.034 0 3 GIAF O=C(C(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1Br 95567506 SGHFPQCHNVWKCX-UHFFFAOYSA-N 386.289 4.113 0 3 GIAF CCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)CC(C)C 1341202 GEBTWJCESQJEIT-UHFFFAOYSA-N 385.464 4.116 0 3 GIAF COc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3ccc(F)cc3)cc2)c1 100106990 PFKVNJWXDQYRKH-QEIWAGNOSA-N 388.486 4.441 0 1 GIAF CN(C#N)c1nc(Cl)c(-c2c(F)cc(F)cc2F)c(NCC(F)(F)F)n1 28703514 ODURFEQFDLNVNA-UHFFFAOYSA-N 395.694 4.106 0 1 GIAF CN1C(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)c2cc(Cl)ccc21 40565114 DARZPDALSPKJHW-HXUWFJFHSA-N 390.870 4.325 0 1 GIAF Nc1c(Nc2ccc(Cl)cc2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 1911581079 DSNAPVJRCJFVLI-UHFFFAOYSA-N 387.798 4.153 0 1 GIAF CCCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)CCc2c1[nH]c1ccccc21 40379787 UXWXMEIWIMCRLD-UHFFFAOYSA-N 392.430 4.300 0 1 GIAF O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2-c2n[nH]cc2[C@@H]1C1CC1 43176059 OOIZPRZUUPEOSZ-IBGZPJMESA-N 385.876 4.390 0 1 GIAF COCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc(C)cc2C)cs1 82195300 DHDHXWUMPGQFPU-SFHVURJKSA-N 389.565 4.406 0 1 GIAF CCCC[C@](O)(CC)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 139081446 ONTLADLDFHCNTE-GESJVYRFSA-N 396.568 4.344 0 1 GIAF CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2 139039272 KRPHXSRITVAORQ-UHFFFAOYSA-N 382.243 4.196 0 1 GIAF C[C@H](COC(=O)[C@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12)O[N+](=O)[O-] 40974714 IIOBHBNTLZNXBM-GHMZBOCLSA-N 376.796 4.218 0 1 GIAF O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1c1nc(-c2ccccc2F)cs1 82195398 CSSQAPQVTFBJKH-IBGZPJMESA-N 399.466 4.374 0 1 GIAF CC1(C)OC[C@@H]([C@@]2(C)CC[C@@]3(O)[C@H]2C(=O)CC[C@H]2C(C)(C)CCC[C@@]23C)O1 238774406 OGGVNSPJFFMXQJ-PCKUUMOXSA-N 378.553 4.481 0 1 GIAF O=C(Cc1ccc(Cl)c(Cl)c1)c1ccc(CN2CC[C@H](C(=O)O)C2)cc1 143750356 KWWYLHWWHLDYHN-INIZCTEOSA-N 392.282 4.325 0 1 GIAF COc1ccc(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@H]4C)C3)cc2)cc1 299845552 GAHOQBHYBQXWSW-UTKZUKDTSA-N 379.504 4.011 0 1 GIAF O=C(c1cc(F)ccc1F)N1CCN(C2c3ccccc3-c3ccccc32)CC1 299866842 PNRATPPJHWZWRU-UHFFFAOYSA-N 390.433 4.493 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587795779 JHXIKPXEULAVQX-FEJNDBLASA-N 398.316 4.317 0 1 GIAF Cc1cc(C)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 587187911 MYVOFIPUEMYNMU-UHFFFAOYSA-N 388.212 4.099 0 1 GIAF O=C1c2ccc(O)cc2O[C@@](Cc2cccs2)(C(=O)O)[C@@H]1c1ccc(F)cc1 587371715 CWASKXGJRIICHQ-WIYYLYMNSA-N 398.411 4.018 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc5c(c4[nH]3)CCCC5)cc12 587037605 KJLVWFOBENRMJO-LBPRGKRZSA-N 393.516 4.189 0 1 GIAF Ic1cccc(/C=C/c2nc3cc4cn[nH]c4cc3[nH]2)c1 587183755 IKBZDNZHCFWHKR-SNAWJCMRSA-N 386.196 4.214 0 1 GIAF COC(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587807260 LSZNRWWGKGAIJB-JEOXALJRSA-N 392.268 4.173 0 1 GIAF CCn1cc(Br)c(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)n1 587001373 WWOPSGHBSJHCNY-UHFFFAOYSA-N 391.166 4.291 0 1 GIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(C)(C)C 587203290 DUZVFSNEIQEGGY-CQSZACIVSA-N 397.422 4.366 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(Cc3ccccc3N(C(N)=O)c3ccccc31)O2 587400905 RPVZZGLYKKCKHN-DEOSSOPVSA-N 399.450 4.211 0 1 GIAF CCN1CCC[C@H]1Cn1c(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587429353 BGXOUEJJKNCVHO-WPSZSDGUSA-N 394.515 4.087 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H]1CC[C@@]2(C)C1(C)C 587818302 PYMZQHKMOZORJX-XYVUPVQVSA-N 380.301 4.343 0 1 GIAF Cc1nc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(S)n1 587842866 GTSSERVQSXXDDD-CQLKUDPESA-N 396.329 4.081 0 1 GIAF CC(C)Oc1ncccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586160 HWEKOXIETOXFKB-CVDCTZTESA-N 391.423 4.451 0 1 GIAF COC(=O)c1cc(Br)c2nc(-c3cc4c(s3)CCC4)[nH]c2c1 587033439 IMIDARLKULJMLL-UHFFFAOYSA-N 377.263 4.329 0 1 GIAF CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1N 587577768 LOZCIPQJYGIPLE-REWPJTCUSA-N 391.423 4.250 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(F)cc(C)cc1Br)[C@@H](C2)C3=O 587424761 ULBREEPHNNGRCV-BBATYDOGSA-N 377.209 4.394 0 1 GIAF COc1ccc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587693124 CXNBFRGQLAUMCB-AYVTZFPOSA-N 385.664 4.269 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cnn2CCF)N1 587716814 JZOZHEMBOYULOV-RTHLEPHNSA-N 390.659 4.031 0 1 GIAF O=C(O)c1ccccc1/C=C\c1nc2cccc(I)c2[nH]1 586881602 XPKZJLYSOUQLBO-HJWRWDBZSA-N 390.180 4.036 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)O)Oc3ccc(CC)cc31)CC2=O 587483772 GMPFZEHRYZMNPY-QHCPKHFHSA-N 394.423 4.129 0 1 GIAF CCOC(=O)C[C@]1(C2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596465 OTXZIEZPYZNRKW-NZQKXSOJSA-N 396.439 4.236 0 1 GIAF COc1cc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587809977 VWOHGFIWSMKOMR-JEOXALJRSA-N 394.284 4.295 0 1 GIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2cc3cc(Cl)ccc3nc2Cl)N1 962896114 AGEHOEJBARVWHZ-IRXDYDNUSA-N 391.229 4.369 0 1 GIAF Cc1cc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)o1 963180613 QESHVWMYIGRDKV-GUYCJALGSA-N 387.785 4.431 0 1 GIAF COc1ccc2cc([C@@]3(C(F)(F)F)NCCc4nc5ccccn5c43)ccc2c1 962986253 RLSDBWPAJINDBT-OAQYLSRUSA-N 397.400 4.448 0 1 GIAF CN(Cc1ccc(Cl)cc1)C(=O)[C@@]1(C)CCN1C(=O)c1ccc2occc2c1 204959427 UBYDAWUNNQAMLO-JOCHJYFZSA-N 396.874 4.349 0 1 GIAF CCOc1c(Cc2cncc3cc(OC)c(OC)cc23)cnc2c1cnn2CC 205653676 DEKCUFHQFWSGRG-UHFFFAOYSA-N 392.459 4.006 0 1 GIAF C[C@]1(C(=O)NCCc2c(Cl)cccc2Cl)CON=C1c1ccccc1 767453 NZPAXIIXGKLNSM-IBGZPJMESA-N 377.271 4.093 0 1 GIAF C[C@]12CC[C@H](OC(=O)CCC(=O)O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 4029585 ZXXJWQGLXHCSFH-CAPOCWPESA-N 390.520 4.375 0 1 GIAF biogenic Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@H](c1ccc(O)cc1)SC(=N)N2 6483930 YAJGBQDBXNIWAB-INIZCTEOSA-N 398.875 4.422 0 1 GIAF COc1ccc(-c2cc3nc(C(F)(F)F)ccc3c(NCCCN)n2)cc1 13489151 KOFODTPSIXYGCY-UHFFFAOYSA-N 376.382 4.085 0 1 GIAF CC(C)CCOc1c(Br)cc(CC(=O)O)cc1Br 13643200 RQVGKFYOKQKNMA-UHFFFAOYSA-N 380.076 4.264 0 1 GIAF C=C(c1ccccc1)c1ccc(N(Cc2cccnc2)S(=O)(=O)CC)cc1 26835426 GFLVJKBEKVGJTQ-UHFFFAOYSA-N 378.497 4.499 0 1 GIAF COC(=O)c1cccc(NC(=O)NC2CCN(CC3=CCCCCCC3)CC2)c1 28708521 RXRCNBDAXTXFBE-UHFFFAOYSA-N 399.535 4.340 0 1 GIAF COc1ccc(NC(=O)Cc2cs/c(=N\c3ccc(C)cc3C)n2C)cc1 29124642 VHFJLMGRGVAGNP-LNVKXUELSA-N 381.501 4.126 0 1 GIAF O=C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)CC1 49066433 VLPJQSUNPRCFQX-UHFFFAOYSA-N 397.837 4.137 0 1 GIAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2ccc(F)cc2)C1 82140499 KRKKKXUUWOBHAM-GJZGRUSLSA-N 382.483 4.223 0 1 GIAF CCCCC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCCCCCC(=O)O 169622203 DTTMKDYOUCSFNN-SOVZDFJUSA-N 396.568 4.213 0 1 GIAF CCOC(=O)C1=C(c2cccc(F)c2)N=C(C)[C@H](C(=O)SCC)[C@@H]1CC 169721232 AVLRLVTVFLQJOA-HOTGVXAUSA-N 377.481 4.497 0 1 GIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cncc(-c2cccc(F)c2F)c1 261112099 IFLRJXRALCDMCX-IBGZPJMESA-N 396.393 4.281 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3[C@H](CC[C@@]12C)[C@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O 299813241 RUDATBOHQWOJDD-FWYTZILHSA-N 392.580 4.478 0 1 GIAF CN1CCN(c2cc(/C=C/c3cc4ccccc4[nH]3)[n+](C)c3ccccc23)CC1 299844533 DGRKHRFMUILZKR-UHFFFAOYSA-O 383.519 4.068 0 1 GIAF Cc1nc2[nH]c(-c3cc(Br)cc(C=O)c3)nc2cc1Br 586981450 CULRGLFIIIUOCH-UHFFFAOYSA-N 395.054 4.271 0 1 GIAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cnnc(O)c2[nH]1 586983069 VNRWVBMYEOQMDK-GFCCVEGCSA-N 375.270 4.193 0 1 GIAF Cn1cc([C@H]2c3c(nc4ccc(O)c5c4c3-c3ccccc3C5=O)C2(C)C)cn1 586986575 CZFIGVIZYKOPDM-NRFANRHFSA-N 381.435 4.308 0 1 GIAF CCc1ccc2nc(-c3ccc(OC)cc3I)[nH]c2c1 587180766 ZXLLBBHSKOLXCO-UHFFFAOYSA-N 378.213 4.406 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(Br)cc2[nH]1 587233328 MDFMPZBRYZXHFH-NWDGAFQWSA-N 380.286 4.486 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(Br)c1F)[C@@H](C2)C3=O 587422542 FELMOAFWCCMTOA-BTDLBPIBSA-N 381.172 4.225 0 1 GIAF CCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1OC(F)F 587423159 RQDLNIITCMASRB-FZKQIMNGSA-N 376.355 4.184 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1nc(Cl)ccc12 587551767 JJFQENKBNKASLD-GHTZIAJQSA-N 379.799 4.244 0 1 GIAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(C)(C)C)n1 587579993 GJNBJEWPGPPKLH-XLIONFOSSA-N 378.428 4.126 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3n[nH]c(Cl)c3c2)N1 587706368 PSRRZZBHPPPSJT-WJWGPLDTSA-N 395.663 4.137 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc[nH]c2)(C(F)(F)F)N1 587711387 XAQREHGLMFRZHQ-RMLUDKJBSA-N 377.179 4.256 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccc(O)c3n2)N1 587779816 WKUOAGLFMBQELI-DGIBIBHMSA-N 387.252 4.466 0 1 GIAF CC[C@@]1(C2(C(=O)OC)CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810124 TZIFGVXXBXIDRV-BBATYDOGSA-N 384.289 4.071 0 1 GIAF CC(C)(C)OC(=O)N1CCC(Cn2c(CN3CCCC3)nc3ccccc32)CC1 621478296 NAYQLLIOZDVYHP-UHFFFAOYSA-N 398.551 4.279 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@@H](c2csc(Br)c2)N1)C(F)(F)F 962719131 XKBAOIYEDBUTIW-WCQYABFASA-N 390.224 4.246 0 1 GIAF CCOC(=O)c1nn(-c2ccc(C)cc2)cc1[C@H]1NCCc2c1sc(C)c2C 963034312 YMHCKEXFMKFIHG-LJQANCHMSA-N 395.528 4.271 0 1 GIAF Fc1cc(F)cc(Nc2nc3nonc3nc2Nc2cc(F)cc(F)c2)c1 1857583188 LGWYCRSMISRBPE-UHFFFAOYSA-N 376.273 4.056 0 1 GIAF Cc1csc(NC(=O)c2cc([C@@H](F)c3cncnc3)cc3cccnc23)n1 1857645712 WGFRPZSHAGYGHR-MRXNPFEDSA-N 379.420 4.101 0 1 GIAF O=c1cc(-c2ccccc2)oc2ccc(NS(=O)(=O)c3ccccc3)cc12 1911576145 SKGOQURWESWDPJ-UHFFFAOYSA-N 377.421 4.261 0 1 GIAF O=c1c2c(c(-c3ccc(F)nc3F)nn1Cc1ccc(Cl)cc1)CCCC2 1911585068 GYENSLHMEWJJNB-UHFFFAOYSA-N 387.817 4.164 0 1 GIAF CC[C@H](O)[C@H](O)C[C@](C)(O)CCCC(C)=CC[C@H](O)[C@H]1[C@@H](C)C=CCC1(C)C 2356534509 LAWYTMOLUTUILN-SYGNGWRBSA-N 396.612 4.365 0 1 GIAF O=C1CN(C(=O)c2ccccc2F)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2456448 GOGQDCIJVVABFA-NRFANRHFSA-N 396.368 4.288 0 3 GIAF COc1ccccc1-c1cnc([C@@H](O)c2ccc(CN3CCCCC3)cc2)[nH]1 61925802 WGZGXTVFYRKXJU-QFIPXVFZSA-N 377.488 4.153 0 3 GIAF Cc1ccccc1NC(=O)C[C@]1(C)N=C(c2cccc(C(F)(F)F)c2)N(C)O1 205217494 CZIZNMYOOQUDJN-LJQANCHMSA-N 391.393 4.382 0 3 GIAF C[C@@H]1CCC[C@@H](NC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2cccs2)[C@@H]1C 4894191 GBUAIQSYTFUVOO-IONDEXAJSA-N 382.529 4.386 0 1 GIAF Cc1cc(-c2c(F)cc3/c(=N/CCN(C)C)ccn(C4CC4)c3c2F)cc(C)n1 100905959 SAHQNCBIZJSNON-LHLOQNFPSA-N 396.485 4.396 0 1 GIAF O=C(O)c1cn2c3c(c(Cl)c(F)cc3c1=O)S[C@@H](c1cccc(F)c1)C2 27098796 TZQWTQRYKXKDEW-CYBMUJFWSA-N 393.798 4.478 0 1 GIAF Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3ccnn3)c1)=N2 101383320 JOYIPFAAAYEHOM-UHFFFAOYSA-N 385.349 4.058 0 1 GIAF O=C1O[C@@H](CN2C=CN3CCCCC[C@@H]32)CC1(c1ccccc1)c1ccccc1 101326455 OJMXVAUEGJBCIM-PKTZIBPZSA-N 388.511 4.277 0 1 GIAF COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C=C(C)[C@H]2C)cc(OC)c1O 2356431687 ATWSXGFADLBZMD-KZULUSFZSA-N 386.444 4.317 0 1 GIAF O=c1cc(-c2ccccc2)oc2cc(OC[C@H](O)CNC3CCCCC3)ccc12 29557828 KYPTYCAVKQKONH-LJQANCHMSA-N 393.483 4.122 0 1 GIAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(C)cc3N(C)C)c(C)nn12 28367796 UJFYYZIMKOAJQF-UHFFFAOYSA-N 380.540 4.409 0 1 GIAF CC(C)CC(=O)OC[C@@]1(CO)C/C(=C/CC(CC(C)C)CC(C)C)C(=O)O1 28704346 PYADAHMTAQTPQG-ALPFBALHSA-N 382.541 4.279 0 1 GIAF C[C@@H]1CO[C@@H]2c3c(O)cc4scnc4c3C[C@@H]3[C@H](C(=O)O)CC[C@H]4[C@H]1CC[C@]243 2356759249 VUPURRJSLQKYJL-OOXAIBMHSA-N 399.512 4.389 0 1 GIAF Clc1cccc(-n2cnnc2NCc2cccnc2N2CCCC2)c1Cl 29126408 LZTKVXLGNNGLLJ-UHFFFAOYSA-N 389.290 4.181 0 1 GIAF CCOC(=O)NCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1 29039024 ICQTZSBXXWWRMI-UHFFFAOYSA-N 389.455 4.434 0 1 GIAF Cc1nc2c(n1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)CCCCC2 29328017 XZDKLLKYHXAZLS-UHFFFAOYSA-N 384.487 4.356 0 1 GIAF CCCCCOc1c(OC)ccc2cc(C(=O)NC3CCCCC3)c(=O)oc12 211046725 XENMXZNGXMHMSP-UHFFFAOYSA-N 387.476 4.433 0 1 GIAF c1cc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)n[nH]c3n2)c2cc[nH]c2c1 73129637 LVBGEVIMGXRIPY-UHFFFAOYSA-N 394.482 4.183 0 1 GIAF O=C(O)c1ccc2c(c1)CNc1c(Nc3ccc(F)c(Cl)c3)ncnc1O2 34799967 XMZQDPMKLWTDHO-UHFFFAOYSA-N 386.770 4.429 0 1 GIAF CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(Cl)cc3)N2C1=O 72117002 MMFSTZXXFVVGLA-PKOBYXMFSA-N 379.847 4.120 0 1 GIAF CC1(C)CC[C@@]2(CC[C@H]3[C@@H]4CC[C@H]5NC(=O)C=C[C@]5(C)[C@H]4CC[C@@]32C)OC1=O 49020505 PMOTURMGOYYNFQ-BCJWUURHSA-N 385.548 4.386 0 1 GIAF COc1ccc2nc(NC(=O)c3ccc(C(=O)c4ccccn4)cc3)sc2c1 1911572648 CYBBWKSWIOYLKW-UHFFFAOYSA-N 389.436 4.183 0 1 GIAF O=C(NCCCCCCN1CCOCC1)Oc1cccc(-c2ccccc2)c1 40424026 GZSMISSWGJRMPV-UHFFFAOYSA-N 382.504 4.335 0 1 GIAF C[C@@H]1C(=O)[C@H](C)[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@H]1c1ccccc1 195399280 FZHGLOCDHOYYLD-AAUAJYIVSA-N 387.483 4.049 0 1 GIAF CC[C@H](C)CCCc1c(O)ccc2c1O[C@]1(C2=O)C(Cl)=C(Cl)C(=O)N1C 68199235 WMKWPEBMZCUXQG-OVWNDWIMSA-N 398.286 4.194 0 1 GIAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](CC(=O)Nc1ccccc1)(c1ccccc1)O2 587391136 SILCPTWXSPMIKH-DEOSSOPVSA-N 386.451 4.467 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3c(s1)SCC(=O)N3)CC2=O 587495134 NPDIKMWQOOEBRM-IBGZPJMESA-N 389.498 4.331 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(N)cc(F)cc2F)N1 587721658 PXSKTPHYMTUWDX-WNWIJWBNSA-N 385.227 4.246 0 1 GIAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)NCc1ccccc1 586988601 NTBIVUOKHQFETC-UHFFFAOYSA-N 394.430 4.011 0 1 GIAF Cc1nc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2cc1Br 587077298 VDWYHFRTRIFRQW-AWEZNQCLSA-N 391.656 4.299 0 1 GIAF CCOC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2cccc(F)c12 587632585 KUYQKKCRCYNOJX-UHFFFAOYSA-N 390.208 4.482 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021603 MLFXZPTXTCNFNO-UHFFFAOYSA-N 383.498 4.071 0 1 GIAF Cc1cncc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587026930 NSBOSVWGLVOAIR-JQHSSLGASA-N 380.517 4.403 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1nccc1C 587860414 UEGDQKXDTPGEOF-UHFFFAOYSA-N 379.247 4.101 0 1 GIAF O=C(O)C1=COc2ccc(Cl)cc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587504293 WHRBMFYGAZFFDX-JOCHJYFZSA-N 396.826 4.440 0 1 GIAF O=C(NCc1nc2ccc(Br)cc2[nH]1)c1cccc(C(F)(F)F)c1 587113208 ZLFFURQIKQETIJ-UHFFFAOYSA-N 398.182 4.274 0 1 GIAF CC(C)(C)OC(=O)N1CC2(C1)CC1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518998 SNFDMZYYCVLEEZ-UHFFFAOYSA-N 383.488 4.300 0 1 GIAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587197046 HICDHCZBBBITED-JTQLQIEISA-N 388.265 4.241 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3c2cnn3C)N1 587760953 RJISTLSZKXKBKH-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF C[C@H](Oc1ccc2ccccc2c1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651895 GQDFCDXEMAFUNJ-ZDUSSCGKSA-N 378.815 4.311 0 1 GIAF CC(=O)Oc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587810301 KKDLYJKRJKFZPP-YPMLDQLKSA-N 378.241 4.137 0 1 GIAF O=C1CCc2cc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c3cc2N1 587018146 XIOBQFPXVIWPDX-UHFFFAOYSA-N 388.452 4.173 0 1 GIAF COc1cccc2cc3c(nc12)C1(CCC(CO)(c2ccccc2)CC1)NCC3 963043932 ASXHHMWUUMYZSY-UHFFFAOYSA-N 388.511 4.089 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cccc(OCc2ccccn2)c1 963635705 NVCCTSLMUDNOBO-UPCLLVRISA-N 390.483 4.301 0 1 GIAF O=C(NCc1ccccc1)c1cccc(NCc2cc(-c3ccncc3)no2)c1 1772643498 ZKFHBBAGQQHMMG-UHFFFAOYSA-N 384.439 4.279 0 1 GIAF O=C(Nc1ccccc1)OCCC1CCN(C[C@H]2COc3ccccc3O2)CC1 13813709 SKDDXYKWEBLIJW-FQEVSTJZSA-N 396.487 4.177 0 1 GIAF CCC[C@@H](Cc1ccc(OCCN(C)c2nc3ccccc3o2)cc1)C(=O)O 13906332 WWBFZYCBBNBEBA-KRWDZBQOSA-N 382.460 4.386 0 1 GIAF NC(=O)Nc1cc(C(=O)O)cc(NCc2ccccc2)c1Oc1ccccc1 169343290 VCBDNPYBZSPHDM-UHFFFAOYSA-N 377.400 4.280 0 1 GIAF O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3ccc(Cl)cc3S(=O)(=O)[C@@H]12 169715427 FSRXQPRYYHOMBW-ADLMAVQZSA-N 394.279 4.369 0 1 GIAF O=c1[nH]c(CCCN2CC=C(c3ccc(F)cc3)CC2)nc2c(Cl)cccc12 3820641 ACCULLWIBRVLMN-UHFFFAOYSA-N 397.881 4.438 0 1 GIAF CC[C@@H](C)NC(=O)C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1 6806403 QXXXMXUCLHLJOG-GFCCVEGCSA-N 386.496 4.115 0 1 GIAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCCC3)[C@H]2C)OCO4)c1O 105520989 NTGCRYUQXNVBHI-NNIZRDCOSA-N 397.471 4.102 0 1 GIAF CC(C)[C@@H]1C/C=C/C[C@H](C)Oc2ccccc2C(=O)N(C)[C@H](C(C)C)C(=O)N1 100088212 LWHPZOYAMURLFL-OKTRGRPESA-N 386.536 4.041 0 1 GIAF CSc1nc2n(n1)[C@H](c1cccc(Br)c1)C1=C(O)CCCC1=N2 103579385 LGFGVYLCRKTBNM-CQSZACIVSA-N 391.294 4.434 0 1 GIAF Cc1ccc(NC(=O)NS(=O)(=O)[C@H]2CCCCCCCCCCC2=O)cc1 103170095 LEXMBTMAYDZPST-IBGZPJMESA-N 394.537 4.299 0 1 GIAF Cn1ccc2c(-c3ccccc3F)nc(N(C(N)=O)c3c(F)cccc3F)nc21 63539682 DZLANNZPSHAHPU-UHFFFAOYSA-N 397.360 4.269 0 1 GIAF CC[C@@]1(CCCCN2CCN(c3ccccc3)CC2)C(=O)N(C)c2ccccc21 29052974 RVQMTJJHPYXXSR-VWLOTQADSA-N 391.559 4.303 0 1 GIAF COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@@H](c1cccc(F)c1)O2 26179385 VYJSUSIGTRGXQC-OAQYLSRUSA-N 399.443 4.355 0 1 GIAF COC(=O)[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801349 PMMRBDRYCOJUPT-HQLQRCIMSA-N 375.553 4.275 0 1 GIAF COc1ccc([C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 71333182 DWVNNLHMFXTEQL-QFIPXVFZSA-N 379.843 4.131 0 1 GIAF COc1cc(-c2nc(CN[C@@H](C)CCc3ccccc3)co2)cc(OC)c1OC 72184567 UAJKZYNLBYJZHI-INIZCTEOSA-N 396.487 4.478 0 1 GIAF Cc1n[nH]c2ccc(-c3nnc(NC[C@@H](N)Cc4ccccc4Cl)s3)cc12 49033462 MEXRTWCANVVSBH-AWEZNQCLSA-N 398.923 4.025 0 1 GIAF CCN(CC)c1nc(NCc2ccc(F)cc2)nc(Oc2ccc(OC)cc2)n1 82066192 YXPGHBHSHSYGFY-UHFFFAOYSA-N 397.454 4.270 0 1 GIAF COc1ccc([C@@H]2O[C@H](CCc3ccccc3)Cc3[nH]c(=S)[nH]c(=O)c32)cc1 95567224 SCDSIMDTQVLGOA-XLIONFOSSA-N 394.496 4.105 0 3 GIAF O=C(NC1CCCCC1)[C@@H](C1CC1)n1c(=O)c(-c2ccco2)nc2ccccc21 95568918 CKIQQLGLRVDQDE-OAQYLSRUSA-N 391.471 4.057 0 3 GIAF Cc1scnc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1 653714153 DKCGCBGBZSYTNQ-UHFFFAOYSA-N 397.843 4.158 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1cccc(OC(C)C)c1)O2 587400364 NEPNBIQHDKHTOL-JOCHJYFZSA-N 383.444 4.090 0 1 GIAF COc1cncc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587025960 JJIZAEPBWFXZAI-PVAVHDDUSA-N 396.516 4.103 0 1 GIAF Fc1cccc(Cn2nnc(-c3nc4cc(F)c(F)c(F)c4[nH]3)c2Cl)c1 587161838 RLFGVVRKUXCSHQ-UHFFFAOYSA-N 381.720 4.080 0 1 GIAF Cc1cc2[nH]c(/C=C\c3cccc(I)c3)nc2c(C)n1 587183673 GHDORIZRGKNVKG-SREVYHEPSA-N 375.213 4.350 0 1 GIAF CCOCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611435 INWQZVQFDRBGEC-XLIONFOSSA-N 383.425 4.088 0 1 GIAF Cc1cc(C(=O)O)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608611 LVWDDAFGQKGFCA-GHTZIAJQSA-N 376.364 4.102 0 1 GIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(F)cnc(Br)c2[nH]1 587928079 VWNPOFLZDIOICE-JTQLQIEISA-N 394.244 4.419 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(=O)c3ccccc3)CC1)CC2=O 587474892 KVJLUJNFRNONIF-XMMPIXPASA-N 393.483 4.375 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587476360 ORXQKFPTGNCIQQ-PGRDOPGGSA-N 389.492 4.468 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3CCCO[C@H]3CC)nc2c1 586907474 ATJHOFWLXCXSRT-FZMZJTMJSA-N 381.270 4.175 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587823718 VUBWUZOVDXWTPY-ARJNNOAKSA-N 382.317 4.135 0 1 GIAF CC(C)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587587941 OTAXFQPQOHDMOJ-DENIHFKCSA-N 377.396 4.277 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1nnn(-c3ccc(C)cc3)c1C)CC2=O 587474540 FWMAEVNRKJXCDY-QHCPKHFHSA-N 391.471 4.423 0 1 GIAF CCOC(=O)[C@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503303 GENMHCRRJWGLQV-JOCHJYFZSA-N 386.394 4.267 0 1 GIAF COC(=O)c1cc2nc(-c3cc(F)cc(-c4cccc(OC)c4)c3)[nH]c2cn1 587159981 AJQRNBPSBUNJTM-UHFFFAOYSA-N 377.375 4.226 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3ccc(C(C)(C)C)nc3[nH]2)C(F)(F)C1 587133145 YOSQQNGRRKZVJB-LLVKDONJSA-N 380.439 4.225 0 1 GIAF CCCCCCOc1ccc(Br)cc1-c1nc2cnnc(O)c2[nH]1 586982112 PYSKIDGMNGSCJI-UHFFFAOYSA-N 391.269 4.447 0 1 GIAF Fc1cc(Br)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587042656 VIZSHOSOUCRUOG-CABCVRRESA-N 392.297 4.411 0 1 GIAF CCOC(=O)c1ccc(CC[C@H]2N[C@H](C)Cc3c(OC)ccc(OC)c32)cc1 963634594 KUTLXZRHYBICMC-DNVCBOLYSA-N 383.488 4.089 0 1 GIAF COc1cc([C@@]2(CCC(=O)O)NCCc3c2sc(C)c3C)ccc1Cl 963014061 SUDVZVBBSKUSDE-LJQANCHMSA-N 379.909 4.281 0 1 GIAF CCOC(=O)[C@]1(c2ccc(C)cc2F)N[C@H](CC)Cc2c1[nH]c1ccccc21 962964857 YNISICMLSYKGOE-IQMFZBJNSA-N 380.463 4.346 0 1 GIAF CCC[C@]1(c2ccccn2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963170602 BHOWVFZZUDQPHK-FZKQIMNGSA-N 398.812 4.396 0 1 GIAF COc1ccc(CCNc2cc(-c3ccccc3Cl)nc3ncnn23)cc1 1772598688 VWWSTZVGYHVSDT-UHFFFAOYSA-N 379.851 4.108 0 1 GIAF Clc1ccc(CN[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772639334 JWYZSYKWHNIQHM-KOMQPUFPSA-N 380.883 4.075 0 1 GIAF O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2cccc(F)c2)cc1 1772632846 MFNIPRVVSMNOFB-UHFFFAOYSA-N 377.415 4.470 0 1 GIAF COc1cccc2c1CCC[C@H]2CCCCN1CCN(C2=NCCCC2)CC1 13745357 ZJMAZGLYVRKYRY-HXUWFJFHSA-N 383.580 4.485 0 1 GIAF COc1cnc2ccc([C@H](C)c3nnc4ccc(-c5ccccc5)nn34)cc2c1 200459470 FGXLXJKDJXTYSR-HNNXBMFYSA-N 381.439 4.500 0 1 GIAF Cc1nc(C)c(COCc2ccc(OCc3nc(C)c(C)nc3C)cc2)nc1C 1857635663 ICRJDCVJUKOHKC-UHFFFAOYSA-N 392.503 4.413 0 1 GIAF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 766970 VOZMMXSTHCZNBV-JTHBVZDNSA-N 388.442 4.276 0 1 GIAF O=C(O)C[C@H](O)C[C@@H](O)/C=C/c1c(Cl)cc(Cl)cc1-c1ccc(F)cc1 26816265 VFZYNIDSEIHLBG-ICWYTKJFSA-N 399.245 4.399 0 1 GIAF CCCCNCC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccc(Cl)cc1 28220186 NDPVRYFIAPAUCT-LJQANCHMSA-N 385.939 4.246 0 1 GIAF Cc1ccc(/C=C2\CN(C)CC3=C2NC(=S)N[C@H]3c2ccc(C)cc2)cc1 53127933 SDOOTLZSUVDCHE-SRKIZSPNSA-N 375.541 4.105 0 1 GIAF CCN(Cc1coc(-c2ccc(O)cc2)n1)[C@H]1CCN(Cc2ccccc2)C1 72103249 OWKSCGAYYNUYOA-NRFANRHFSA-N 377.488 4.144 0 1 GIAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccccc2F)C1 82151632 WJNQUDYPTLMDIN-JKSUJKDBSA-N 384.499 4.390 0 1 GIAF O=C([C@@H]1COC2=C(C=C=CC2)O1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 95559201 NOIAVZKNIYIVJV-OFNKIYASSA-N 384.435 4.106 0 1 GIAF Oc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2 95575889 UVANEUUATLLBKA-OWOJBTEDSA-N 375.428 4.196 0 1 GIAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]2N3)cc1 100108417 LAGLNKQLGINVOX-QXSURTEESA-N 398.506 4.331 0 1 GIAF Cc1nc(-c2noc(Cc3ccccc3)n2)sc1C(=O)NCc1ccccc1 103233544 LHQOEJHESJBERR-UHFFFAOYSA-N 390.468 4.022 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1ccc(OCCF)cc1 167098701 IHSYGQNSGRWZNY-QAPCUYQASA-N 387.451 4.162 0 1 GIAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1cnn(-c2ccccc2)c1 205437941 WHNRCQHDAMFUGE-UHFFFAOYSA-N 387.443 4.025 0 1 GIAF COc1ccc2ccc(=O)oc2c1C1=NN[C@@H](c2ccc(C(F)(F)F)cc2)C1 299862909 KHIHZYRYNORHMC-CQSZACIVSA-N 388.345 4.259 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cncc(C)c3[nH]1)N2 587033003 WWTLFIIKXOEQAK-ZTFCMROMSA-N 385.518 4.393 0 1 GIAF Fc1cc(Br)cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587039156 CQTUCRFELGKCFU-HUUCEWRRSA-N 392.297 4.411 0 1 GIAF O=C(COc1ccccc1-c1nc2c(Cl)ccnc2[nH]1)Nc1ccccc1F 587153939 FSKAPVQTZSMBHQ-UHFFFAOYSA-N 396.809 4.435 0 1 GIAF COc1ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2c1 587154869 UHCCMLABSSMMMR-UHFFFAOYSA-N 397.431 4.178 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1 587191757 YUCAJLOIJCQNKP-GOSISDBHSA-N 377.448 4.396 0 1 GIAF COc1ccc(C)cc1NCCCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587228423 CLNDAEFABYGFSR-UHFFFAOYSA-N 399.804 4.338 0 1 GIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 587242599 VOIPZPQJCLZVID-UHFFFAOYSA-N 376.460 4.489 0 1 GIAF O=C(c1ccc(Cl)cc1F)c1c(CO)oc2cc(Br)cnc12 587275752 FLUDZSXVGRBVAN-UHFFFAOYSA-N 384.588 4.106 0 1 GIAF CCOC(=O)C[C@@H]1CCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587345612 GBHPUQBMIQJJCB-GNOCETLISA-N 398.430 4.382 0 1 GIAF COC(C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC 587346642 JXNFGQIAMWBCQP-IFMALSPDSA-N 388.435 4.294 0 1 GIAF NC(=S)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377053 QJRSFMXEXSXPSE-KNQAVFIVSA-N 393.439 4.072 0 1 GIAF CCOC(=O)[C@@H](Cc1ccc(C)cc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399100 HWKXQLAUARJNOX-JPYJTQIMSA-N 381.472 4.032 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(F)cc(Br)cc1F)[C@@H](C2)C3=O 587422030 BVWJDVKKRWGESG-BTDLBPIBSA-N 381.172 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccccc4)Nc4ccccc41)[C@@H](C2)C3=O 587442889 ZOERBDJBMNOVOJ-PZGSVQSZSA-N 397.430 4.074 0 1 GIAF COc1cc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 587540984 CMRMEKOPYASEKP-NQIIRXRSSA-N 398.798 4.463 0 1 GIAF Cn1cc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2n1 587581458 LGRDOJNLSSGGJM-NFBKMPQASA-N 386.407 4.156 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCN(C1CCCC1)C2 587594978 NYTAJYJTYWFMHI-REWPJTCUSA-N 379.456 4.131 0 1 GIAF C[C@]1(c2ccsc2C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614818 UYSFWIWRGCEQJE-FOIQADDNSA-N 382.393 4.029 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(F)cc(F)cc32)N1 587737813 HNFLRZYBYWITMG-LZVRBXCZSA-N 398.222 4.427 0 1 GIAF CCOC(=O)c1[nH]c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587789753 FYFHHDHORVVCLR-BTDLBPIBSA-N 395.272 4.025 0 1 GIAF CCCCCOC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798549 YROATJHRIQMLGA-XIKOKIGWSA-N 386.305 4.461 0 1 GIAF COC(=O)C[C@]1(C2CCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808518 OGJWRAOBNBCBPX-BBATYDOGSA-N 384.289 4.071 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](O)c1ccccc1 587865033 SUUKUZAKLYUYNG-GOSISDBHSA-N 390.361 4.341 0 1 GIAF COc1ccc2c(c1OC)[C@@](C)(c1ccc3c(c1)OC(F)(F)O3)N(C)[C@H](C)C2 962564752 HKFLJVZKXFPACF-MPBGBICISA-N 391.414 4.165 0 1 GIAF CCOC(=O)C[C@]1(c2c(Cl)cccc2Cl)NCCc2c(C)ccnc21 963066234 FXTCQZUCKBQYDQ-LJQANCHMSA-N 379.287 4.039 0 1 GIAF CCCC[C@@]1(C(C)C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963151192 RZGUZEQIBYHLCD-AUUYWEPGSA-N 382.526 4.431 0 1 GIAF Cc1ccc(N2CCN(CCCNC(=O)c3ccc4ccccc4c3)CC2)cc1 1857769733 SJMLHLCCTMNHGG-UHFFFAOYSA-N 387.527 4.090 0 1 GIAF CC=C(C)C(=O)OCC(=CC)C(=O)O[C@@H](CC)c1ccc(OC)c(OC)c1 2356383394 LKOARHYUMOKAPJ-KRWDZBQOSA-N 376.449 4.154 0 1 GIAF Cc1cccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C2CCNCC2)c1C 4961508 QZSKDPAROIWNEC-UHFFFAOYSA-N 392.478 4.348 0 3 GIAF COc1cccc([C@@H](NC(C)=O)c2nc(-c3ccc(F)cc3OC)cs2)c1 61903045 FSYLXNKRPSVJBF-LJQANCHMSA-N 386.448 4.192 0 3 GIAF COc1ccc(C[C@H]2COc3ccccc3CN2Cc2ccc(O)cc2)cc1 103241348 HMMCTPCZVULLLK-NRFANRHFSA-N 375.468 4.407 0 1 GIAF N=C(N)c1ccc(C[C@H](N)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 26384432 NRXIQJLAHRLRHC-HXUWFJFHSA-N 395.399 4.149 0 1 GIAF COP(=O)(OC)[C@@H](OC(=O)COc1cccc(C)c1C)c1cccs1 103192139 HMLCGPTZUSLCRU-QGZVFWFLSA-N 384.390 4.472 0 1 GIAF NCCCN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28468172 VOPOULRVLGISBH-UHFFFAOYSA-N 378.495 4.411 0 1 GIAF CN1C(=O)C[C@H](c2ccc(O)cc2)[C@@H]1[C@@H](O)c1ccc(-c2ccccc2)s1 28464055 ZMRZZQGDXVAKPU-YHYVQYDKSA-N 379.481 4.169 0 1 GIAF COc1cccc([C@H](NC(C)=O)c2nc(-c3ccc(N(C)C)cc3)cs2)c1 61895381 BTXJEDDZZVDCKX-FQEVSTJZSA-N 381.501 4.110 0 3 GIAF CC(C)NC(=O)CCNCc1ccc(-c2cn3c(n2)sc2ccccc23)cc1 66078140 RBSVRIQWKHWJDI-UHFFFAOYSA-N 392.528 4.220 0 1 GIAF Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2cccc(O)c2)cc1 72123199 IYALRTLNVRINDE-UHFFFAOYSA-N 391.452 4.220 0 1 GIAF CCCC[C@@H](CC)CNc1nc(NC[C@H](C)O)c2cc(OC)c(OC)cc2n1 82129378 XXIVLPLOWPFXAC-LSDHHAIUSA-N 390.528 4.068 0 1 GIAF CC(=O)OCC1=CC[C@@](C)(c2cc(Br)c(C)cc2OC(C)=O)[C@H]1C 238754685 ZJBRKOVNMIPAKM-HXPMCKFVSA-N 395.293 4.470 0 1 GIAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)cc3)o2)[C@H](C)O)c(C)c1Cl 146537829 ZOBHLNTUGXEUMC-APPDUMDISA-N 384.823 4.489 0 1 GIAF COCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807628 MGFXYMOGMGDURU-ZMZPIMSZSA-N 380.257 4.195 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC(C)C)c2ccccc21 587486829 MCMAUBBCQAMIDR-QHCPKHFHSA-N 379.456 4.208 0 1 GIAF Cc1nc2c(C)cccn2c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587776885 YUSAZFDZLKGCIQ-PIGZYNQJSA-N 388.284 4.476 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]c2ccc(F)cc12 587571137 PKKBLQPKAJAIPK-UWJYYQICSA-N 376.343 4.111 0 1 GIAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587070755 WMIPHTHFMYISJS-HNNXBMFYSA-N 396.922 4.345 0 1 GIAF CCCCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345769 GOOBZSICISRIFG-RBBKRZOGSA-N 386.419 4.382 0 1 GIAF CCc1ccc2c(c1)[C@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1ccccc1C2=O 587448156 ZRRBSKLQOINQSR-QFQXNSOFSA-N 396.442 4.493 0 1 GIAF COc1ccc([C@@]2(CCCCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403833 RVLJFFKAQDSGIY-HSZRJFAPSA-N 397.471 4.482 0 1 GIAF COc1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587002202 VCXZBIMFADOQHV-AATRIKPKSA-N 387.233 4.276 0 1 GIAF Brc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2n1 587002473 GOXNQIUWNCJBKA-UHFFFAOYSA-N 393.042 4.026 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(F)cc1F)CC2=O 587468504 XJSLBOPNKMXNSS-NRFANRHFSA-N 390.382 4.348 0 1 GIAF C[C@]1(c2sc(=N)[nH]c2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587506721 LCEPWMKYQIZRCR-QGZVFWFLSA-N 382.407 4.334 0 1 GIAF Oc1ccc(OCCCc2ccccc2)n1-c1nc(N2CCCCC2)ncc1F 587946132 SRHQVAFWONQYQI-UHFFFAOYSA-N 396.466 4.114 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)nc1)CC2=O 587461851 ZXASVLZTGQZNOI-SFHVURJKSA-N 376.250 4.383 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2c1 587242088 OWRGUMMBAIKDQU-UHFFFAOYSA-N 379.460 4.320 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ncc[nH]2)(c2cccs2)N1 587852846 NNLKXJZSWUXNGB-BMLIUANNSA-N 392.297 4.199 0 1 GIAF C[C@]1(c2ccc(C(=O)O)o2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347462 BSXYGFBDOQHPSZ-GHTZIAJQSA-N 382.343 4.097 0 1 GIAF CC[C@@]1(C2CCN(C(=O)OC(C)(C)C)CC2)CC(=O)c2cc(C)cc(N)c2O1 587396529 UEBNUPGFZVUTLV-QFIPXVFZSA-N 388.508 4.338 0 1 GIAF Fc1cccc2c1CCN([C@@H]1CCSC1)C2(c1ccccn1)c1ccccn1 962709065 NGPSISRQOYFWSL-QGZVFWFLSA-N 391.515 4.271 0 1 GIAF O=C(NC1CC1)c1ccc([C@H]2c3ccsc3CCN2Cc2ccco2)cc1 962713158 TYMBHHLPAOLUNS-NRFANRHFSA-N 378.497 4.381 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@]2(CCC[C@H](C(F)(F)F)C2)N1 962636063 LPZFPOJSSIPZFI-ZIBATOQPSA-N 397.315 4.132 0 1 GIAF COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3n2C[C@@H](C)OCC3)ccc1F 1772576928 BFYHWKUPUZZQOO-OAHLLOKOSA-N 381.451 4.338 0 1 GIAF CC(C)CCOc1ccc(-c2cc(C(=O)O)nc(S)n2)cc1Br 1857745306 FPYQUHWKMMZMIS-UHFFFAOYSA-N 397.294 4.318 0 1 GIAF CC(C)Oc1ccc2c(c1)C(Cl)=C(C(=O)O)[C@@H](c1ccc3c(c1)OCO3)O2 13473470 FSPZCXDXOYLYCH-LJQANCHMSA-N 388.803 4.371 0 1 GIAF CO[C@@H](CCc1ccccc1)c1ccccc1OC[C@@H](O)CN1CCCCC1 13529080 IBROBEZGYAHQTA-GMAHTHKFSA-N 383.532 4.233 0 1 GIAF CN(CCc1ccccc1)C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651083 DPVWHNMPIGSQMD-XMMPIXPASA-N 385.507 4.463 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)[C@@H]([C@@H](O)C(F)(F)F)C[C@]34C)[C@@H]1CC[C@@H]2O 17302839 HTYHKJJOVXZDHV-BYSAQMBDSA-N 388.470 4.108 0 1 GIAF Cc1ccc(N2CNC(=O)C23CCN([C@H]2Cc4cccc5cccc2c45)CC3)cc1 26399288 HXAMTTDIZAWFKT-QHCPKHFHSA-N 397.522 4.174 0 1 GIAF COc1cc(NCCCC2(c3ccc(F)cc3)OCCO2)c2ncccc2c1 29308225 RBBKODOHJMFTAN-UHFFFAOYSA-N 382.435 4.474 0 1 GIAF Cc1c(C(=O)CN2CCCC2)c(C)n(C)c1C(=O)c1ccc(Cl)cc1Cl 29339707 UHOKLARSBFRZNJ-UHFFFAOYSA-N 393.314 4.458 0 1 GIAF Cc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(=O)O)c2n1 71331358 JWXQDSJKVIYMHR-UHFFFAOYSA-N 391.374 4.047 0 1 GIAF CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(F)cc1 82139305 TVVOCBPIZIKNHF-IRXDYDNUSA-N 398.526 4.493 0 1 GIAF CC(C)c1nc2c(NCc3cccs3)ncnc2n1CCN1CCCCC1 82177833 QOWNCOGJJIEFHG-UHFFFAOYSA-N 384.553 4.109 0 1 GIAF Cc1ncncc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1 117423667 MOXHODGYJMWHOR-UHFFFAOYSA-N 377.423 4.117 0 1 GIAF C[C@@]1(CO)Cc2nnc(C3(c4ccc(-c5ccccc5)cc4)CC3)n2CCS1 148314906 KJIBRMRRCCDONN-QFIPXVFZSA-N 391.540 4.065 0 1 GIAF O=c1c2cn[nH]c2c2ccc(-c3ccc(Cl)nc3)cc2n1CC(F)(F)F 205019518 VDQPSVFVILWGMH-UHFFFAOYSA-N 378.741 4.156 0 1 GIAF CN(C)CCCn1c(/C=C/c2ccc(F)cc2)nc2cc(Cl)ccc2c1=O 299867161 XNGMKUJLPUIUGQ-IZZDOVSWSA-N 385.870 4.311 0 1 GIAF O=C(O)c1cccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586961778 XQFWYGUJLWTUGZ-MUUNZHRXSA-N 390.464 4.299 0 1 GIAF CCOC(=O)[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C=C1C 586990839 GEQLXPQDTRZZNN-HNNXBMFYSA-N 385.419 4.291 0 1 GIAF CC(C)(C)Oc1cc(-c2nc3c(F)cnc(Br)c3[nH]2)c(N)cc1F 587135829 FMCSOEDLTGYCJK-UHFFFAOYSA-N 397.223 4.425 0 1 GIAF CCc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587446676 DCPIXORJZFBHSY-QFQXNSOFSA-N 396.442 4.493 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCn3ccnc3)c1)CC2=O 587470846 MOKHEBMYSKILGV-QFIPXVFZSA-N 392.455 4.327 0 1 GIAF CN(C)c1cc(F)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570023 UCRHJUZBQBIWMO-NFBKMPQASA-N 393.414 4.474 0 1 GIAF CCn1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587578474 AFNCGASBFVNECS-SIKLNZKXSA-N 378.428 4.102 0 1 GIAF COCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598382 UJBBKSFSQJNCOD-OFNKIYASSA-N 376.408 4.286 0 1 GIAF Cc1[nH]c2cccc(F)c2c1C(=O)Nc1ccc(I)cc1 587636038 YCBTUXYNSFQYNQ-UHFFFAOYSA-N 394.187 4.472 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(F)cccc32)N1 587737817 HOIWSLOCMYXYMG-MLCYQJTMSA-N 380.232 4.288 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccccn2)N1 587773924 SGYPZUCDMHJSFG-ADLMAVQZSA-N 377.257 4.006 0 1 GIAF Cc1nc2ccccn2c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774131 LQIBZOOANZYDQY-WLRWDXFRSA-N 388.284 4.342 0 1 GIAF Cc1[nH]nc2c1[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587791499 GAMCULOFQQUDDT-DGIBIBHMSA-N 392.316 4.370 0 1 GIAF CCCC[C@@]1(CC(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587799247 RJJQMTHOXBLVAE-XIKOKIGWSA-N 386.305 4.461 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)O)cc2)N1 587825199 GJRGWHUJFUXBBI-YPMLDQLKSA-N 378.241 4.084 0 1 GIAF CCOCc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587854114 PULOPZPIVFRASH-FVMDXXJSSA-N 385.302 4.205 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C)c(C)c(O)n1 587866121 SZHRGPQTPSSLMD-UHFFFAOYSA-N 378.354 4.069 0 1 GIAF Clc1ccc(CNC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772624837 WVYXBGBSMGFRJF-KOMQPUFPSA-N 394.910 4.323 0 1 GIAF COc1ccc(-c2ccc(CNC(=O)CCc3ccc4c(c3)OCO4)cc2)cc1 1772626983 XFSHTHQIPUFSRE-UHFFFAOYSA-N 389.451 4.340 0 1 GIAF O=C(Nc1nc2ccc(C3=NCCN3)cc2[nH]1)c1sc2ccccc2c1Cl 1857538705 IUUHLAKXGDQZNI-UHFFFAOYSA-N 395.875 4.033 0 1 GIAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NCc1cc(F)cc(F)c1 2356303212 NITLNDBHODHOEE-SNVBAGLBSA-N 392.789 4.257 0 1 GIAF COc1ccc(-n2cc(Cl)nc(NCCc3c[nH]c4ccccc34)c2=O)cc1 642862 JSSCJKLCYXCMDG-UHFFFAOYSA-N 394.862 4.030 0 1 GIAF CNC(=O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1 13609226 FFXYZQHZOXTXDO-FMIVXFBMSA-N 389.238 4.460 0 1 GIAF COC1(c2cc(F)cc(OCc3ccc4oc(=O)ccc4c3)c2)CCOCC1 13725490 ZKFXVONAFJUDHM-UHFFFAOYSA-N 384.403 4.163 0 1 GIAF c1ccc2c(c1)C[C@H]2CCCCN1CCN(c2cccc3c2OCCO3)CC1 13743662 ZDUZQLINQVIXPB-HXUWFJFHSA-N 378.516 4.090 0 1 GIAF CCc1cccc([C@H](C)CC)c1NC(=O)C[C@@H]1C(=O)Nc2ccccc2[S@]1=O 16957318 KVDDCNDTBYRYTC-SCVXQASVSA-N 398.528 4.220 0 1 GIAF Cc1cc(O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 49109320 ZFOJVKYNXYNDCO-UHFFFAOYSA-N 380.492 4.292 0 1 GIAF COc1cccc([C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1 71332777 NXXHCFNLTZYTBM-QFIPXVFZSA-N 379.843 4.131 0 1 GIAF CC(C)(C)c1ccc(-c2nc(CN3CCN(C(=O)c4ccco4)CC3)co2)cc1 72100938 IBICTEDJWMJKPL-UHFFFAOYSA-N 393.487 4.190 0 1 GIAF CN(C(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1)C1CCCCC1 82139859 BLHOYQFTMZSBBK-UHFFFAOYSA-N 382.483 4.288 0 1 GIAF CCCc1nc2c(NCCCc3ccccc3)ncnc2n1C[C@H]1CCCO1 82180050 ZMZAMROQXPTTHQ-GOSISDBHSA-N 379.508 4.003 0 1 GIAF C[C@]1(C(=O)O)OC[C@@H](CCCCc2ccc(OCc3ccccc3)cc2)CO1 101641990 UQOVCAYLXYKTLM-UHGJSFDGSA-N 384.472 4.442 0 1 GIAF COC(=O)/C=C(/C)CC/C=C(/C)CC/C=C(\CC/C=C(\C)C(=O)O)C(=O)O 238775052 NOSWBCUINNVHSM-HFELIVSXSA-N 378.465 4.435 0 1 GIAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(S)nc(S)nc3[nH]2)c1 586881497 GQMHZOSROOTEFH-UHFFFAOYSA-N 392.509 4.445 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1 586907301 LHJVEWDSNHUUNM-UHFFFAOYSA-N 397.500 4.173 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586917526 SVZQRIGUOIGIGP-GIGQVBGESA-N 378.325 4.336 0 1 GIAF CCOC(=O)[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@@H]1C 586990444 XRANFISWLYDFCK-SWLSCSKDSA-N 387.435 4.066 0 1 GIAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(F)c(F)cc2[nH]1 587000134 MRYNCPNTVAGZAX-UHFFFAOYSA-N 393.143 4.083 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Cl)cc(F)c4[nH]3)cc12 587038094 QHBNYBZQIVRYJH-QMMMGPOBSA-N 391.859 4.103 0 1 GIAF Cc1ccc2c(ccc3[nH]c(-c4nnsc4NC(=O)OC(C)(C)C)nc32)n1 587038475 JESJAKHFQCHTGF-UHFFFAOYSA-N 382.449 4.285 0 1 GIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3c(cc2[nH]1)OCCCO3 587080230 NWHNAEYUKKIAKV-CQSZACIVSA-N 382.851 4.101 0 1 GIAF Clc1ccc(-c2ccc(-c3nc4cnc(Br)cc4[nH]3)cc2)nn1 587085416 RJVHTYPRNNCXSW-UHFFFAOYSA-N 386.640 4.498 0 1 GIAF Cc1cc(C)c(CC(=O)c2c(CO)oc3cc(Br)cnc23)c(C)c1 587273004 GPOLUWWRMZWIGH-UHFFFAOYSA-N 388.261 4.433 0 1 GIAF Nc1ccc2c(c1)CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333792 IDYZHFSOEGTGTM-FYYLOGMGSA-N 375.399 4.314 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(O)[nH]c3cc(Br)ccc13)O2 587370329 FFYNUOLAEDIGDN-OAHLLOKOSA-N 387.233 4.233 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1cc(F)ccc1Br)O2 587387005 YTWUVGVDOXFQLF-CYBMUJFWSA-N 378.241 4.445 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccc4c(c3)OCCO4)cs1)O2 587412678 JZBLBDAQYPXXST-LJQANCHMSA-N 394.452 4.178 0 1 GIAF CCOC(=O)[C@H](C(C)C)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441999 NPHGIYDZGCBKRH-UTSGNWPNSA-N 394.467 4.173 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1nccn1CC)CC2=O 587471489 RRPXCOGPXPSELS-QHCPKHFHSA-N 376.456 4.470 0 1 GIAF Cc1nn(-c2ccnc(Cl)n2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496449 BZBJBRWRODFQAW-GOSISDBHSA-N 394.862 4.209 0 1 GIAF O=C1C[C@@H](c2ccc(N3CCOCC3)c(F)c2)Oc2c1ccc1c2CCCC1 587506070 OMDHGJTUOCYNIH-QFIPXVFZSA-N 381.447 4.248 0 1 GIAF CC(C)(C)OC(=O)N1CC(F)(F)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587507565 QZKOGDQMRKCAEK-FQEVSTJZSA-N 393.430 4.155 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C=COc1cc(F)ccc12 587567826 FIZDGNDHEBTRGF-KNQAVFIVSA-N 376.339 4.295 0 1 GIAF Cc1cccc(Cl)c1NC(=O)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12 587648831 IFDSRHSQSYNGPC-UHFFFAOYSA-N 376.865 4.094 0 1 GIAF Cc1nc(Cl)c(C)c(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587656331 XLIJGWAMRNUSKW-UHFFFAOYSA-N 398.800 4.391 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccccc2Cl)N1 587694876 IJKFQUFPLUXGAB-HUTHGQBESA-N 398.659 4.104 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nn(C)cc3c2)N1 587761158 SRCGEWYHNKQEJY-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF CCOC(=O)C[C@@]1(CC2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793390 DTEHQEHKMGAPRW-BBATYDOGSA-N 384.289 4.071 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587798939 QFOMEXFHDCIZGY-MAAUKKLOSA-N 398.316 4.317 0 1 GIAF COC(=O)[C@H]1CC[C@H]([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587807008 KOLRXOCNWBQLKU-BDBYMAIGSA-N 384.289 4.143 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)OCCCO3)N1 587833309 FTGAUPSLTWKILE-WLRWDXFRSA-N 392.268 4.373 0 1 GIAF COC(=O)c1csc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587850335 YOQDNOSIMPBWNI-HUTHGQBESA-N 398.297 4.234 0 1 GIAF COc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862396 MKVQUTFKHKIQDS-UHFFFAOYSA-N 376.334 4.275 0 1 GIAF CC[C@@]1(Cc2nc3c(Br)ccnc3[nH]2)CC(=O)c2ccccc2C1 587960044 KBJWFCZZZDULEL-IBGZPJMESA-N 384.277 4.488 0 1 GIAF COc1ccc2c(c1OC)[C@@](C)(c1cc(F)ccc1-n1ccnc1)N(C)[C@@H](C)C2 962640076 YVDBGVVRMHDAHS-NPMXOYFQSA-N 395.478 4.169 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@]3(C=C(Nc4ccccc4F)CCC3)c3cccc1c32 963031718 OKXSAGBYHCZKIO-IQMFZBJNSA-N 377.463 4.254 0 1 GIAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc(F)cc(F)c2)N1 963201230 YFWCGZBCRMEFBE-WFASDCNBSA-N 391.723 4.325 0 1 GIAF O=C(O)[C@@H]1CCC[C@H](C[C@]2(c3ccccc3F)NCCc3ccc(O)cc32)C1 963343381 UYGXRAQQAPYDCO-XSSDXNQZSA-N 383.463 4.202 0 1 GIAF Cc1ccc2c(=O)n3c(nc2c1)[C@H](CC(C)C)NC(=O)c1ccc(Cl)cc1-3 61949375 BJYRGJDNOILFHE-KRWDZBQOSA-N 381.863 4.178 0 3 GIAF O=C(/C=C1\C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21)Nc1ccccc1 841498 HLHLASMGVJKRCF-JOZWUWCOSA-N 377.227 4.284 0 1 GIAF CCN1c2ncccc2C(=O)N(C)c2ccc(-c3c[nH]c4ccc(OC)cc34)nc21 5841817 FAUYKFLHHWFNGE-UHFFFAOYSA-N 399.454 4.382 0 1 GIAF O=c1[nH]c2ccccc2n1CCCCCN1CCC(Cc2ccccc2)CC1 13808349 CPOIZLBLPIADBN-UHFFFAOYSA-N 377.532 4.455 0 1 GIAF CC(C)N(CC[C@]1(c2ccccc2Cl)C(=O)NCN2CCCC[C@H]21)C(C)C 28265008 DMEITOFFTBHYHV-RBBKRZOGSA-N 391.987 4.029 0 1 GIAF Cc1cc(C)c(Nc2nc(C)ccc2S(=O)(=O)c2ccc(CO)cc2)c(C)c1 28568997 XNLJYFXMDVHPAR-UHFFFAOYSA-N 396.512 4.384 0 1 GIAF O=S1(=O)N(Cc2ccccc2)CCN1Cc1cccc(Oc2ccccc2)c1 72127940 HOMWTFJGYMDVCU-UHFFFAOYSA-N 394.496 4.042 0 1 GIAF CCCOc1nn2cc(-c3ccc(OCCOC)cc3)nc2c2ccccc12 72173283 NAHQAEBRVUPTAI-UHFFFAOYSA-N 377.444 4.364 0 1 GIAF Cc1c(Cc2cnn3c(O)cc(-c4ccncc4)nc23)cccc1C(F)(F)F 95582729 SMLGFRBFJIQCQT-UHFFFAOYSA-N 384.361 4.415 0 1 GIAF COC(=O)c1sc2ncnc(Nc3ccc(F)cc3OC(C)C)c2c1C 96167852 OGNWKFYJHNZTNC-UHFFFAOYSA-N 375.425 4.456 0 1 GIAF COc1ccc(-c2cnnc(N3CC[C@H](c4cccc(Cl)c4)C3)n2)cc1OC 103227072 HTIVKEWQTQZBNV-INIZCTEOSA-N 396.878 4.203 0 1 GIAF Cc1cc(=O)c(-c2nnc(Nc3ccccc3F)o2)nn1-c1ccccc1Cl 103284515 BVTOSGCPYSUSMF-UHFFFAOYSA-N 397.797 4.127 0 1 GIAF COc1ccc(-c2cnn3c(O)cc(Cc4ccc(F)cc4C)nc23)c(OC)c1 103526012 FZKDAQHLMXXPIA-UHFFFAOYSA-N 393.418 4.157 0 1 GIAF CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)[nH]2)c1 146777455 VAQDHBYNOCHYGZ-UHFFFAOYSA-N 382.489 4.218 0 1 GIAF COc1ccc(-c2c(O)c3c(OC)c4c(cc3oc2=O)OC(C)(C)C=C4)cc1O 238744940 RALLVQKXPZCTCL-UHFFFAOYSA-N 396.395 4.073 0 1 GIAF N=c1nc(NC2CCOCC2)c2sc(-c3ccc(C(F)(F)F)cc3)cc2[nH]1 473105514 SLBVAANRRMKKSB-UHFFFAOYSA-N 394.422 4.381 0 1 GIAF CCCCOc1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1Br 586959690 PGHDLUNSHZKADW-QFIPXVFZSA-N 385.327 4.163 0 1 GIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2c(C)c(Br)cnc2[nH]1 586963388 MNBZKOVSGUQPQA-SNVBAGLBSA-N 394.298 4.076 0 1 GIAF CCCCCCOc1ccc(Br)cc1-c1nc2c(O)ncnc2[nH]1 586981385 JZNBNDRIEMPGJD-UHFFFAOYSA-N 391.269 4.447 0 1 GIAF CN(C)C(=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587042990 WYIOZMFFWAUGAK-UHFFFAOYSA-N 399.541 4.322 0 1 GIAF CCOc1ccccc1[C@@](N)(c1nc2ccc3ncccc3c2[nH]1)C(F)(F)F 587093908 ZVNNORMDMNAGIE-LJQANCHMSA-N 386.377 4.274 0 1 GIAF Cc1csc([C@](O)(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)C(F)(F)F)n1 587094165 LJELNMGDHQJBCO-MRXNPFEDSA-N 384.427 4.013 0 1 GIAF COC(=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1OC 587133898 CZQATSRQTYNVLE-GQCTYLIASA-N 398.287 4.224 0 1 GIAF Fc1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)nc1Br 587155798 SFUYGFJHMHUOTA-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(C)c(Cl)cc3[nH]2)cc1 587225760 SUFIKYXHDDPOCV-UHFFFAOYSA-N 386.839 4.023 0 1 GIAF CCc1nccnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334687 FTWPKCYEKVFDLF-KNQAVFIVSA-N 378.403 4.158 0 1 GIAF COc1cccnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334920 GCIRNGOGTRJAEW-SIKLNZKXSA-N 379.387 4.209 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1[nH]c(C)c(C(=O)OCC)c1C)CC2=O 587483336 MDINLZBNMFXYAA-JOCHJYFZSA-N 385.460 4.347 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(O[C@H](C)C(=O)O)c1)CC2=O 587486602 RVJJRFXCFAMMEN-DMZKTXOQSA-N 384.428 4.077 0 1 GIAF CS(=O)(=O)c1cc(Cl)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587531703 KZKDSINJDIARHY-SFHVURJKSA-N 390.888 4.329 0 1 GIAF CC(C)CCN1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581439 HOIUYEKOLGENMP-HXUWFJFHSA-N 381.472 4.235 0 1 GIAF C[C@](O)(C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607315 HWVHICKUEIBMAY-PZQGDKHPSA-N 394.467 4.300 0 1 GIAF O=C(COc1ccccc1-c1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587652577 VPMJDOQILHUPTD-UHFFFAOYSA-N 390.826 4.436 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)N1 587750667 UVNYKHCAPJXYCN-IQMDTDKHSA-N 387.293 4.077 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(-c3c(C)cccc3OC)nc2c1 587785527 CAHSUHVBRUPJHR-UHFFFAOYSA-N 375.222 4.096 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ncon3)c2)N1 587794371 MCILGSSOVKNBTO-QGHHPUGFSA-N 388.240 4.262 0 1 GIAF CCOC(=O)CC[C@@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587799682 UEYCOBBUXOOZRN-ZMZPIMSZSA-N 384.289 4.071 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587805052 GIKCDWBTOJCIQG-ADLMAVQZSA-N 392.268 4.307 0 1 GIAF CCOC(C)(OCC)C(=O)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862378 LXFKQHBBQCMLAN-UHFFFAOYSA-N 386.370 4.007 0 1 GIAF Cc1ccc2c(c1)C(=O)[C@@H]([C@H]1c3ccsc3CCN1Cc1ccco1)C(=O)O2 962699744 AMAVBPVMLUWERD-WOJBJXKFSA-N 393.464 4.167 0 1 GIAF O=C(O)CCCCC[C@]1(C2CCC2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962760587 GIIFNAVEMDIGBJ-FXAWDEMLSA-N 397.437 4.363 0 1 GIAF Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(Cl)c3cnnc(O)c23)c1 1857549765 YIFKWRHDBDXBPE-LSDHHAIUSA-N 398.898 4.118 0 1 GIAF C[C@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3ccc4ncnc(O)c4c3)cc21 1857591387 CHFRZGVWOWRPRN-XMMPIXPASA-N 381.435 4.455 0 1 GIAF CC(=O)[C@H]1C[C@@H](O)[C@@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@@H]4CC3)CC[C@]12C 1857593014 CFKGOPCMHMUILV-GVMKPQOSSA-N 384.516 4.287 0 1 GIAF COc1cc2ncnc(N3CCc4ccccc43)c2cc1NC(=O)/C=C/C(C)C 1857644584 WKRSLAFQIBIEDQ-CMDGGOBGSA-N 388.471 4.483 0 1 GIAF CN1CCN(c2ccc(-c3n[nH]c(CSc4ccc(Cl)cc4)n3)cc2)CC1 1857768672 HAXQCWNVRIMSHC-UHFFFAOYSA-N 399.951 4.169 0 1 GIAF COc1ccccc1CN(C)CCCC[C@H]1OC(=O)c2cc(OC)c(OC)cc21 1911574890 BREJGSHYRJMUSS-HXUWFJFHSA-N 399.487 4.226 0 1 GIAF CC1(C)O[C@@]2([C@@H]3C[C@H](CC4=CN[C@@H](N)C=C4)CC4(CCCC4)C3)CC[C@H]1[C@H](N)C2 2356854516 RPPQUXFVGMMGJK-NGIPBJSOSA-N 399.623 4.356 0 1 GIAF CCc1nc2c(OCc3ccccc3)cccn2c1N(C)C(=O)c1ccco1 61906523 HYDDWSFJMHFMRS-UHFFFAOYSA-N 375.428 4.345 0 3 GIAF C[C@@H]1CCc2sc(NC(=O)Cc3cccc4ccccc34)c(C(N)=O)c2C1 1518503 XTVSFNVURAREIC-CYBMUJFWSA-N 378.497 4.306 0 1 GIAF C[S@](=O)c1ccc(-n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)cc1 4617928 UPYYEIHAZSVKFD-HHHXNRCGSA-N 377.444 4.478 0 1 GIAF Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2OCc2ccccc2)c1 6521940 HTWKPSQEQFYQIU-UHFFFAOYSA-N 396.512 4.057 0 1 GIAF O=c1c([C@@H](c2ccc(Br)cc2)n2ccnc2)coc2ccccc12 13675769 CRDMIHRISHLNPC-GOSISDBHSA-N 381.229 4.390 0 1 GIAF O=c1ccoc2cc(OCCCN3CCN(c4ccccc4Cl)CC3)ccc12 13860921 BAEIVNMFMUBCGU-UHFFFAOYSA-N 398.890 4.038 0 1 GIAF C[C@H]1C[C@H](O)[C@@]2(C)[C@@H](C)C(=O)CC[C@@H]2[C@@]1(C)COc1ccc2ccc(=O)oc2c1 14594098 XYUJBOZUFFMPGO-WEERSVCMSA-N 398.499 4.200 0 1 GIAF endogenous,in-man CCCc1cc(OC)cc2c1C(=O)Oc1cc(O)c(C(=O)O)c(CCC)c1O2 15122278 LWVHZHJOXWPWHN-UHFFFAOYSA-N 386.400 4.329 0 1 GIAF biogenic O=C(C1CC1)N1CCC(CNc2nc3c(s2)CCCc2ccc(F)cc2-3)CC1 26502193 JKSIEMQKIOPEEN-UHFFFAOYSA-N 399.535 4.498 0 1 GIAF CC(C)CCn1c(CN2C(=O)[C@@H](CC(=O)O)c3ccccc32)nc2ccccc21 28824408 OPEBRRKJBKZXRL-KRWDZBQOSA-N 391.471 4.188 0 1 GIAF COC(=O)C[C@H](c1ccncc1)[C@H](C(=O)N(C(C)C)C(C)C)c1ccccc1 34987627 YAAQJXJMSVDQFT-IFMALSPDSA-N 382.504 4.158 0 1 GIAF COc1ccc(CCNc2cc(-c3cccc4cnccc34)nc(OC)n2)cc1 38215366 XPYMCUZYEYRYHF-UHFFFAOYSA-N 386.455 4.364 0 1 GIAF Clc1ccc(Cn2cc([C@@H](c3ccc(Cl)cc3)n3ccnc3)nn2)cc1 40896369 RYEQSVSDUVCWEO-LJQANCHMSA-N 384.270 4.467 0 1 GIAF N[C@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@H]1c1cc(F)c(F)cc1Cl 58517512 QWUWSZCVPDEKJJ-LRDDRELGSA-N 392.862 4.068 0 1 GIAF O=c1cc(Cn2c(-c3ccccn3)nc3ccccc32)c2ccc(F)c(F)c2[nH]1 72109382 RGRQCVIGXKDBGP-UHFFFAOYSA-N 388.377 4.266 0 1 GIAF CC(=O)NCc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1 84619788 WNPNMZJTXZHSHL-UHFFFAOYSA-N 390.552 4.307 0 1 GIAF Cn1c(CCC(=O)N[C@H]2CC[C@H](c3ccc(O)cc3)CC2)nc2ccccc21 101146600 QPAULAIWIRXKJN-MAEOIBBWSA-N 377.488 4.054 0 1 GIAF Cc1ncccc1Oc1cc(C(F)(F)F)ccc1C(=O)Nc1cc[nH]c(=O)c1 143220949 FNYNPPMOZIJFAC-UHFFFAOYSA-N 389.333 4.142 0 1 GIAF O=S(=O)(NCc1ccc(-c2ccc(F)cc2)cc1)c1cc2ccccc2[nH]1 203660419 ZYXQIXCJTWOQOB-UHFFFAOYSA-N 380.444 4.453 0 1 GIAF Fc1ccc(-c2nc3ccc(-c4nn[nH]n4)cc3nc2-c2ccc(F)cc2)cc1 205087255 QJZOJMQEDAVMGD-UHFFFAOYSA-N 386.365 4.422 0 1 GIAF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@]12C1CCCCC1 299820631 GJOAWALSEOPUHC-HSZRJFAPSA-N 396.437 4.310 0 1 GIAF COc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587000640 JGAMWIKQDLPHKY-GORDUTHDSA-N 387.233 4.276 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587043969 WIYIAUNSFOVCBI-SFHVURJKSA-N 393.512 4.414 0 1 GIAF COC(=O)c1ccc2nc(-c3cc(F)c(C)cc3Br)[nH]c2c1OC 587137695 GUSOMYPJTUARKN-UHFFFAOYSA-N 393.212 4.235 0 1 GIAF Ic1cccc(/C=C\c2nc3cc4cn[nH]c4cc3[nH]2)c1 587183754 IKBZDNZHCFWHKR-PLNGDYQASA-N 386.196 4.214 0 1 GIAF Ic1cncc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1 587184292 IBDNAKLPNQBKME-UHFFFAOYSA-N 375.213 4.108 0 1 GIAF Cc1cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2cc1Br 587254874 RZNQUZIKBWVMNF-UHFFFAOYSA-N 380.249 4.170 0 1 GIAF O=C(O)CC[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353937 OHWFUSZWCBPWJP-IFMALSPDSA-N 396.370 4.244 0 1 GIAF COc1cc2c3c(c1)O[C@@](COC(=O)c1ccccc1F)(C(C)(C)C)[C@@H](C2)C3=O 587428503 ZXFKFEPXQPOYLM-QMHKHESXSA-N 398.430 4.224 0 1 GIAF COc1ccc(-c2nc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cs2)cc1 587450956 MJFAWIBEFDQQLP-QRWLVFNGSA-N 379.437 4.316 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C[C@@H](C)C(=O)O)(c1ccc(OC)cc1)CC2=O 587483004 SZDQXXMYYSXANF-QKFKETGDSA-N 398.455 4.325 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Cn1cccn1 587581519 LUGBMAMGDBTRGM-URXFXBBRSA-N 398.418 4.340 0 1 GIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(N)c1C 587581731 XMCSBKMSZMUABK-CVDCTZTESA-N 391.423 4.168 0 1 GIAF CCN1CCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587591990 GXDKYZOYTZRAPA-XUZZJYLKSA-N 387.435 4.478 0 1 GIAF C[C@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2c(C(=O)O)cccc12 587637024 TVSXHHZPJABXGE-VIFPVBQESA-N 388.217 4.484 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3nc(Cl)ccc32)N1 587708071 XSNJFZLHEMJZOB-VVVCHXIZSA-N 381.676 4.361 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCNC(=O)C2CCCC2)N1 587752781 FPUSHSIAGPLJNP-BLLLJJGKSA-N 397.332 4.250 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3cn(C)nc3c2)N1 587759511 LLKVTUPONAFZGX-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2CCC(=O)O)N1 587826094 GHWBBZOFYXWOPM-AEDCBLDQSA-N 384.289 4.373 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)OCO3)N1 587831826 AEKFDHYOABYJNX-MLCYQJTMSA-N 378.241 4.115 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(-c2cn(CC)nc2C)n1 587872398 XDCYUTIOYOZJPZ-UHFFFAOYSA-N 392.438 4.059 0 1 GIAF Cc1cc(O)nc(SC[C@@]2(c3ccccc3)NCCc3c2sc(C)c3C)n1 963021591 JTLMNFZUWWNZST-NRFANRHFSA-N 397.569 4.351 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccc(CN)s1)C(C)(C)C 963051579 YZPMVEDZGAHVOX-QFIPXVFZSA-N 381.545 4.199 0 1 GIAF c1c[nH]c(=Nc2ccnc3cc(-c4cnc(N5CCCCCC5)nc4)ccc23)cn1 1857548546 RUTWINBBLHBTKT-UHFFFAOYSA-N 397.486 4.028 0 1 GIAF CCCCC(=O)Oc1c(-c2ccc3c(c2)OCO3)oc2cc(OC)ccc2c1=O 1857571297 RRSJRZJWBNQVCQ-UHFFFAOYSA-N 396.395 4.293 0 1 GIAF c1ccc(OCCNCC2COC(c3ccccc3)(c3ccccc3)OC2)cc1 1857596047 OPPIZFGAWWSDDB-UHFFFAOYSA-N 389.495 4.219 0 1 GIAF c1ccc(OCCNC[C@H]2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 1857609638 ABAMCUWCUXLAEL-XMMPIXPASA-N 389.495 4.362 0 1 GIAF OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1c[nH]c4ccccc14)[C@@H]23 1857760104 RACYQPIYYDRRFE-ABZSKANCSA-N 381.564 4.005 0 1 GIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(C)=O)CC[C@@]43C)[C@H]1CCC2=O 2356561342 ZBCIPAKSRPXBDL-SDJCNWFZSA-N 390.520 4.073 0 1 GIAF C[C@@H]1C(=O)CC[C@@]2(C)[C@@H](COc3ccc4ccc(=O)oc4c3)[C@H](C)C[C@H](O)[C@]12C 2356781342 BAEWDDGFBMCGCK-PUWHNFPSSA-N 398.499 4.200 0 1 GIAF CC1=CC[C@H]2[C@@H]3C(=O)C[C@H](O)CC(=O)O[C@@H](C)C=CC=C[C@@H](C)[C@H]3C=C[C@@H]2C1 2356805837 ZYCLTPPGAOTOGR-LVQYBOBZSA-N 384.516 4.165 0 1 GIAF CC(=O)OC=CC(=COC(C)=O)[C@H](C[C@H]1C(C)=CCCC1(C)C)OC(C)=O 2356859205 SSBRJAXNTZJRDB-PMACEKPBSA-N 378.465 4.215 0 1 GIAF COCC(=O)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1 3955790 JURFVZCHMWJMBQ-UHFFFAOYSA-N 378.516 4.209 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCCN1CCCC1 4212929 KCVPCUMMOFHMGW-UXHICEINSA-N 391.581 4.364 0 1 GIAF CCOC(=O)Cc1csc(NC(=S)N[C@H](C)c2cccc3ccccc23)n1 13477189 SIBLSUOUYKIONH-CYBMUJFWSA-N 399.541 4.450 0 1 GIAF CC(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@H]4CCCN4)c3c2)cc1 13607645 KTTVLQCVCOFIAK-GOSISDBHSA-N 397.544 4.387 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)NC(C)(C)C)[C@H]3CC[C@@H]12 26380997 RIGMJQYSJWLGJZ-LYNBEELSSA-N 386.580 4.157 0 1 GIAF COC(=O)[C@H]1CCC[C@@H](Nc2[nH]nc3cccc(OCc4ccccc4)c23)C1 26728025 OLWDKMYRCUIZFF-DLBZAZTESA-N 379.460 4.286 0 1 GIAF CCCn1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc21 43012999 CNYNPHUFCNMWEU-UHFFFAOYSA-N 383.444 4.317 0 1 GIAF COc1ccc(COc2cc(O)c3c(=O)c(O)c(-c4ccccc4)oc3c2)cc1 64549331 LWIHBBLUVJZXFW-UHFFFAOYSA-N 390.391 4.459 0 1 GIAF Nc1ccc(-c2ccc3nc(NC(=O)CCCN4CCCCC4)sc3c2)cn1 96283496 QQUYWRDEIKGPDZ-UHFFFAOYSA-N 395.532 4.145 0 1 GIAF COc1ccc(S(=O)(=O)n2ccc3ccnc(-c4ccc(F)cc4)c32)cc1 96940437 BJVJNXKNXGWDLU-UHFFFAOYSA-N 382.416 4.088 0 1 GIAF COc1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 115312338 ZJSSHQZGJKPACR-UHFFFAOYSA-N 375.403 4.103 0 1 GIAF CCOC(=O)[C@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(-c2ccccn2)cc1 169730683 CPEJKFZIWPWDCE-LEWJYISDSA-N 388.423 4.135 0 1 GIAF CN[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2[C@@H]1O 255209393 FLAMWHBGWKTYPW-NMKNYGSBSA-N 376.629 4.154 0 1 GIAF CCC(=O)Nc1onc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1 299837985 TWSMBEWMAUAXGL-UHFFFAOYSA-N 388.807 4.430 0 1 GIAF CC(=O)Nc1cc(NC(=O)c2cnc3ccccc3c2O)ccc1C(C)(C)C 299841400 ZPJYINMYWNSEOJ-UHFFFAOYSA-N 377.444 4.449 0 1 GIAF Oc1ncnc2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc12 586997913 FWIBYEVEIBISFV-UHFFFAOYSA-N 397.232 4.067 0 1 GIAF Cc1cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br 587043474 RGRSHUOMORAOIH-CYBMUJFWSA-N 382.327 4.254 0 1 GIAF O=C(O)c1cccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587117524 TWSPLHTYOJKDHZ-UHFFFAOYSA-N 398.772 4.250 0 1 GIAF Cc1cc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2cc1F 587124082 IDMRETCIZMFFRH-UHFFFAOYSA-N 387.358 4.247 0 1 GIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cnc(Cl)[nH]c-3n2)c(F)c1 587144548 KXGPQHKFOCAQBH-UHFFFAOYSA-N 382.782 4.438 0 1 GIAF CCC[C@]1(C2(c3ccccc3)CCNCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438285 DWMHZUUAPNMQPI-NLFFAJNJSA-N 391.511 4.303 0 1 GIAF CCc1ccc2c(c1)[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)c1ccccc1C2=O 587448157 ZRRBSKLQOINQSR-RLWLMLJZSA-N 396.442 4.493 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 587485548 ICNKYDSKWPJVKH-XJDIIYGHSA-N 387.476 4.221 0 1 GIAF O=C1C[C@H](c2cccc(CN3CCOCC3)c2)Oc2c1ccc1c2CCCC1 587518690 NHTKHVPCZDFJMZ-HSZRJFAPSA-N 377.484 4.104 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccnc1 587578028 PPIWPNUEPBVATO-REWPJTCUSA-N 384.391 4.281 0 1 GIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587600683 OZIAGBRERKVJHJ-SIKLNZKXSA-N 378.380 4.112 0 1 GIAF CC(C)CCN1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587766330 GLELYMFIWUZDDJ-CQSZACIVSA-N 383.349 4.460 0 1 GIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 587784186 FEGPQYOFHXGIEZ-OLZOCXBDSA-N 389.224 4.408 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3nsnc23)N1 587854482 BZWXTYYMZSGGQY-PWJLMRLQSA-N 378.270 4.217 0 1 GIAF COc1cc2c(cc1OC)[C@@](CNC1CCCC1)(c1ccccc1)N(C)[C@@H](C)C2 962637423 WUWUTFBYSOYCDM-AVRWGWEMSA-N 394.559 4.356 0 1 GIAF O=C(NCc1ccccc1)c1cccc(NCc2ccn(-c3ccncc3)c2)c1 1772612248 WSKWXKQNHFXDOD-UHFFFAOYSA-N 382.467 4.414 0 1 GIAF C[C@@H]1c2ccccc2CCN1C[C@@H](O)COc1cccc(CNC2CCCC2)c1 1772655756 CZLTVGXHWMJBBI-AUSIDOKSSA-N 394.559 4.078 0 1 GIAF Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc3ccccc3s1)CS(=O)(=O)O2 1857558521 ARMDJJJZOGCRKZ-MRXNPFEDSA-N 396.493 4.250 0 1 GIAF O=S(=O)(Nc1ccc(-c2ccc(F)cc2)c2cccnc12)c1ccccn1 1857565372 NJGXTPMHRXLQDZ-UHFFFAOYSA-N 379.416 4.237 0 1 GIAF Nc1[nH]c(C(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1C(=O)N1CCCC1 1857750127 RECXTZVHUDFHRY-UHFFFAOYSA-N 393.874 4.384 0 1 GIAF CN1CCN(c2cc(-c3ccncc3)c(-c3ccc4cccc(F)c4c3)nn2)CC1 1911579601 CHIDSEUGTZJIKU-UHFFFAOYSA-N 399.473 4.250 0 1 GIAF CCOc1cc2c(cc1OCC)[C](Nc1cc(OC)c(OC)c(OC)c1)C=CN2 2356839091 MVHHDDCJWQAGJC-UHFFFAOYSA-N 399.467 4.441 0 1 GIAF CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F 769344 JSDPZVNRIPCQIC-NVXWUHKLSA-N 381.234 4.313 0 1 GIAF COc1cccc2c(Nc3ccccc3C)c(C(=O)OCCN(C)C)cnc12 13727170 XBGREVZMVWZRKD-UHFFFAOYSA-N 379.460 4.014 0 1 GIAF COc1cc2c(cc1OCC=C(C)C)C(=O)C[C@@H](c1ccc3c(c1)OCO3)O2 14728368 XNGHNFHZIWCLLJ-SFHVURJKSA-N 382.412 4.475 0 1 GIAF biogenic O=c1c2c(ncn2C/C=C/c2ccccc2)c2cccnc2n1-c1ccccc1 26726210 DDPZQTSPFUWSMG-DHZHZOJOSA-N 378.435 4.449 0 1 GIAF O[C@@](Cn1ccnc1)(c1ccc(-c2ccccn2)cc1)c1ccc(F)cc1F 26846571 KSBSRQHTDJZSKG-QFIPXVFZSA-N 377.394 4.159 0 1 GIAF CC[C@@](C)(Oc1ccc(CC(=O)Nc2cc(C)cc(Cl)c2)cc1)C(=O)O 27527144 SJNPTMUTNRVJDP-HXUWFJFHSA-N 375.852 4.462 0 1 GIAF COc1cc(O[C@H]2CCOC2)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1 28572578 FSXRNYHLAZAJJI-LBPRGKRZSA-N 389.814 4.342 0 1 GIAF Cc1cc(=O)oc2cc(OCc3nnc(S)n3-c3ccc(Cl)cc3)ccc12 34104585 NPEJECYXYZGWIQ-UHFFFAOYSA-N 399.859 4.203 0 1 GIAF Clc1ccc2nc(CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cn2n1 36215313 YJBGSZUYOGPUMC-UHFFFAOYSA-N 396.709 4.012 0 1 GIAF CSc1nc(-c2cccc(F)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1 38157697 RDGDTXHTCFMEPO-UHFFFAOYSA-N 390.509 4.330 0 1 GIAF CCOc1cnc(C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)O)cc1CC 73198306 FMIMEKPJOIWECI-UHFFFAOYSA-N 386.835 4.036 0 1 GIAF COc1cccc([C@H](C)Nc2nccc(N3C(=O)OC[C@H]3c3ccccc3)n2)c1 142052899 MXKKZDXOIVAYTQ-KXBFYZLASA-N 390.443 4.356 0 1 GIAF OCc1ccc(-c2nn(Cc3c(F)c(F)cc(F)c3F)c3ccccc23)o1 169322388 ISCLYWXIMYFYTD-UHFFFAOYSA-N 376.309 4.393 0 1 GIAF COc1ccc(Oc2c(CN=O)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1 169691620 HUHVLJJAADEZSM-UHFFFAOYSA-N 379.416 4.423 0 1 GIAF CCCCCCN1C[C@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@H]1c1ccc(C)cc1 198609940 SKSCWLKHHLXXKL-VABKMULXSA-N 382.552 4.393 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586915340 CYTLASKLXZLJOG-BUXKBTBVSA-N 386.354 4.101 0 1 GIAF Clc1ccc(Br)nc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587005001 ILEQJUAODHNXOO-UHFFFAOYSA-N 380.629 4.202 0 1 GIAF FC(F)(F)c1ncc2nc(COc3ccccc3C3SCCS3)nc-2[nH]1 587042324 RYVLIYOVIOQSIY-UHFFFAOYSA-N 398.435 4.381 0 1 GIAF O=S(=O)(O)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587047765 MOVIFSARODLVDJ-UWVGGRQHSA-N 383.256 4.388 0 1 GIAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(CCO)cc3[nH]2)cc1F 587143678 DJCBGKGXBBFRRO-UHFFFAOYSA-N 390.414 4.143 0 1 GIAF O=C(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccccc1 587220436 SBNFKVYDFBYXAD-SFHVURJKSA-N 396.372 4.496 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(F)cc3)nc3ncccn13)O2 587384020 IYCOBTFJGZCOQP-GOSISDBHSA-N 388.402 4.133 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(CN4CCCCC4)c1)[C@@H](C2)C3=O 587443229 LORVTHRPEKAQNO-CYFREDJKSA-N 393.483 4.178 0 1 GIAF CCOC(=O)C[C@]1(c2ccc(Cl)s2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452197 MTYVXXBQYHFDLJ-BLVKFPJESA-N 392.860 4.006 0 1 GIAF CN1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587516201 ZZHUYRIJOXUYAM-QHCPKHFHSA-N 376.500 4.024 0 1 GIAF CCOC(=O)c1nocc1[C@@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587522273 DLDNRXJIDQNSIA-QFIPXVFZSA-N 381.428 4.001 0 1 GIAF CCN[C@H](C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574235 WGJJFOLTKVPJCB-QVJSAIJNSA-N 389.451 4.247 0 1 GIAF C[C@H](N=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574983 ZRBUSSFNTWCMLT-BPSNYSSFSA-N 375.380 4.404 0 1 GIAF CCn1cc([C@]2(CC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587583689 WOOILHHTQOMMBS-UGKGYDQZSA-N 378.428 4.184 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]cc1-c1ccccc1 587593325 IRUOZYNHUHUTCY-WMZHIEFXSA-N 384.391 4.485 0 1 GIAF COc1nccc(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587696278 SVDYHZPAWRAVMM-GLEZIHRCSA-N 385.664 4.269 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(F)cc(F)cc32)N1 587738008 JFHCMGDXEBQOTL-DYBLOJMWSA-N 398.222 4.427 0 1 GIAF COCCn1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587752884 UEXUOZKMGCYXRD-WLRWDXFRSA-N 395.316 4.277 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](c3nccn3C)C2)N1 587754777 MOUSBQRBQUOQOY-UHYGZKCKSA-N 392.316 4.409 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)C1 587798470 OLUHQLXXMNXGSM-VWQQLOEOSA-N 398.316 4.317 0 1 GIAF CC(=O)Oc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587808730 HIBJAUSDHWHBIX-YPMLDQLKSA-N 378.241 4.137 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC=C[C@H]2C[C@H](C(=O)O)C1 587826747 LPYPUSHCFLLBRK-DDMVCWABSA-N 394.284 4.005 0 1 GIAF COc1ccc(C[C@H](C)c2nc3cc(Br)c(C)nc3[nH]2)cc1OC 587927680 WCDRLKXJEGWWJW-JTQLQIEISA-N 390.281 4.392 0 1 GIAF COc1ccc(OC)c([C@]2(c3ccc(C)nc3)NCCc3ccc(F)c(C)c32)c1 962302562 UEDZDWIANBEZHS-DEOSSOPVSA-N 392.474 4.292 0 1 GIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2cc3cc(Cl)ccc3nc2Cl)N1 962896113 AGEHOEJBARVWHZ-DLBZAZTESA-N 391.229 4.369 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(CCC[C@@H](Cc3ccc(Cl)nc3)C2)N1 962903466 VATHEULPOFBZNO-GTXQTCRKSA-N 388.870 4.101 0 1 GIAF O=C(O)c1cc(Br)c([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)s1 963097877 ICTFAGUJCXBSAB-ABAIWWIYSA-N 396.281 4.458 0 1 GIAF Nc1ncnc2c1c(-c1ccc3[nH]ccc3c1)nn2[C@H]1CCc2ccccc2C1 1857754422 FDURTFZKZKACSB-SFHVURJKSA-N 380.455 4.287 0 1 GIAF CCOC1=CS(=O)(=O)Nc2ccc(Oc3ccccc3Br)cc21 1857767231 CXMSJFUMGNTMST-UHFFFAOYSA-N 396.262 4.332 0 1 GIAF Cn1cc(CN2C[C@@H](F)[C@H](OCc3nc4ccccc4o3)C2)c2ccccc21 2356299536 KLGIMSFNARLVAU-DYESRHJHSA-N 379.435 4.059 0 1 GIAF CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](OC(=O)C=Cc1ccc(O)cc1)C=C1CO[C@@H](O)[C@@H]12 2356324845 LOUSEAQLVXGKPV-PFRJGVIDSA-N 398.499 4.055 0 1 GIAF CCOC(=O)N(C)c1c(CC)nc2c(OCc3ccc(F)c(F)c3)cccn12 61903267 PBQUHHAJXPLOLE-UHFFFAOYSA-N 389.402 4.347 0 3 GIAF O=C(O)CCc1ccc2c(c1)[C@H]1C[C@@H](O)[C@H](CC[C@@H](O)C3CCCCC3)[C@H]1C2 13899164 VKVQUXYOYRPPHX-OKKOYFSCSA-N 386.532 4.062 0 1 GIAF O=C1[C@H]2c3[nH]c4ccccc4c3[C@H]3CCSC[C@@H]3[C@@H]2C(=O)N1c1ccccc1 17193033 LXYBVCDNTFPEED-JKTDJZPLSA-N 388.492 4.291 0 1 GIAF Fc1ccc([C@@H]2NCCO[C@@]23COC[C@H](c2ccccc2C(F)(F)F)C3)cc1 26501239 HYHOBIXFGWNRJI-XPGWFJOJSA-N 395.396 4.448 0 1 GIAF COc1cc(=O)n(Cc2nc3ccccc3n2CCCCF)c2ccccc12 28824449 PNMNWDPYYGTPJE-UHFFFAOYSA-N 379.435 4.158 0 1 GIAF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1ccc(F)cc1)CCCC3 28968846 DFIMEOJDEVLTMM-UHFFFAOYSA-N 379.435 4.382 0 1 GIAF Fc1cc2nc(SCc3ccccc3Cl)[nH]c2cc1N1CCNCC1 29050619 RLLNXYHQZGHTKO-UHFFFAOYSA-N 376.888 4.057 0 1 GIAF Cc1cc(C)c2c(N)c(C(=O)NCc3ccc(C(F)(F)F)cc3)sc2n1 58568400 WYOAEBODMMWELD-UHFFFAOYSA-N 379.407 4.444 0 1 GIAF COc1cc(O)c(CC=C(C)C)c(-c2oc3cc(O)cc(O)c3c(=O)c2OC)c1 66124056 DFZUWIAIIXJYQQ-UHFFFAOYSA-N 398.411 4.103 0 1 GIAF biogenic,in-vitro O=C(NCc1ccccc1)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2F)cs1 82192411 RRQVCRLYYCLWEV-IBGZPJMESA-N 399.466 4.374 0 1 GIAF O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2)cs1 82195396 NEYVNAIDTWMCIR-IBGZPJMESA-N 399.466 4.374 0 1 GIAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1N[C@@H]1C[C@H](C)CC(C)(C)C1 82204061 KTXBOBJJVQEYRI-PKOBYXMFSA-N 385.600 4.476 0 1 GIAF CCOC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Oc1cccc(C(F)(F)F)c1 84758105 IWPQJUZGXFBNGP-KRWDZBQOSA-N 393.361 4.194 0 1 GIAF Cc1ccc(NC(=O)Nc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1C 101415721 IDNWZLJGGARSGN-PMACEKPBSA-N 389.455 4.403 0 1 GIAF O=C1OC2(CCN(C(=O)c3c[nH]c4cc(Cl)ccc34)CC2)c2ccccc21 139838688 WXNWSOSXMBZDTL-UHFFFAOYSA-N 380.831 4.123 0 1 GIAF Cc1ccc(Cl)cc1NC[C@@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 142581986 IWONXIHXLHWZFU-AEFFLSMTSA-N 378.925 4.148 0 1 GIAF Cc1nc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)co1 142891661 JOIWVYXIZVYNDJ-OAHLLOKOSA-N 399.454 4.126 0 1 GIAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)N3CCN(C)CC3)ncc2c1 169699996 HKYJREKNWHUPDY-UHFFFAOYSA-N 378.451 4.129 0 1 GIAF COc1ccccc1NC(=O)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 169721964 IWVCEVICQJXFTR-GASCZTMLSA-N 388.423 4.290 0 1 GIAF CCOC(=O)c1cnc(Nc2ccccc2Cl)nc1Nc1cc(C2CC2)[nH]n1 203004205 YDYXVJJXUCSGDA-UHFFFAOYSA-N 398.854 4.394 0 1 GIAF O=C(NCC1(c2ccc(Cl)nc2)CCCCC1)[C@@H]1CCOc2ncccc21 205614858 OCGNNUGNGDLYIX-MRXNPFEDSA-N 385.895 4.014 0 1 GIAF CC1=CC(Br)=C/C(=C2/C=C(Br)C=C(C)[N+]2=O)N1O 223046641 NDMKDLMOCORZHE-VAWYXSNFSA-N 375.040 4.061 0 1 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC[C@@H](C)c4ccccc4)ncc23)ccn1 261087140 CUWBSWCWQOQRBR-CQSZACIVSA-N 386.459 4.254 0 1 GIAF COc1ccc(C(=O)CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)cc1 261103806 HAOPIGLBBGBERN-UHFFFAOYSA-N 396.443 4.457 0 1 GIAF O=C1c2cc(Cl)cc(Cl)c2O[C@@H]2c3[nH]c4ccc(O)cc4c3CCN12 474609012 NOUOPZFPGPMLKI-GOSISDBHSA-N 375.211 4.270 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Br)cc(C=O)c3)nc2c1 586983361 ZSKPAUKLBKTKCS-UHFFFAOYSA-N 393.624 4.245 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(CSCc3ccsc3)[nH]c2c1 587024698 AQTPAZAQQZUTFC-UHFFFAOYSA-N 395.575 4.136 0 1 GIAF Oc1nc2cc3nc(CSCc4cccc(OC(F)(F)F)c4)[nH]c3cc2[nH]1 587122899 NYKZDNUTQQPSPZ-UHFFFAOYSA-N 394.378 4.477 0 1 GIAF CSc1ccc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587197491 PPXWMUPQZSRUCH-CYBMUJFWSA-N 377.510 4.201 0 1 GIAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(CO)cc3[nH]2)c(C2CC2)n1 587229282 DCRREEUACWPYDS-UHFFFAOYSA-N 394.475 4.019 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2c(Br)ccnc2[nH]1 587233184 JXVIANUILCNIFY-ZYHUDNBSSA-N 395.301 4.271 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4cc(Br)ccc4C[C@@H]1C)[C@@H](C2)C3=O 587419001 RADLLWPBFDHCNG-HEBDSEGYSA-N 385.257 4.293 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccc(N)cc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427912 JUBQWASPPXLKIZ-CVDCTZTESA-N 375.399 4.108 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(NC(=O)OC(C)(C)C)C2)N1 587739605 BKSRQGLBLHNMQR-VJIIGADZSA-N 399.304 4.005 0 1 GIAF COC(=O)Cc1ccccc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587783249 KBYBVCBACBUXGB-UHFFFAOYSA-N 384.741 4.497 0 1 GIAF CCC[C@]1([C@H](C)C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792711 CEVJHMZDZVQKIR-VNBZBWLYSA-N 386.305 4.317 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(COc2cccc(C=O)c2)N1 587796779 VGGWIWBCVSHZLP-CWTRNNRKSA-N 392.268 4.229 0 1 GIAF CCOc1ccc(C(=O)[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587800011 DMAHDFRTSFTDDD-BBATYDOGSA-N 392.268 4.445 0 1 GIAF Cc1cc(C(=O)O)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587826439 KVEBPLSMCCSSBS-DYZYQPBXSA-N 378.241 4.218 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(CC(=O)O)cc2)N1 587828019 NQDHTLVBDRNWLH-JEOXALJRSA-N 392.268 4.013 0 1 GIAF CCCCc1ccc(-n2c(OC)cc(C(=O)OC)c2OC)c(Br)c1 587936592 LHFIAVSZQBNKIZ-UHFFFAOYSA-N 396.281 4.386 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cnc3ccccc3c2Cl)N1 963238468 ZDXZVCGDFPIYDJ-FPOVZHCZSA-N 389.842 4.125 0 1 GIAF CCOc1ccc([C@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c(F)c1F 963612587 SPQVOTXHPBXBKB-QKVFXAPYSA-N 377.431 4.178 0 1 GIAF N=c1cc(-c2ccc3ccn(Cc4ccc(CN5CCCCC5)cc4)c3c2)[nH][nH]1 1857559767 VDYQWEHGAZCAGH-UHFFFAOYSA-N 385.515 4.478 0 1 GIAF CCn1cnc2c(-c3ccc(F)c(-c4ccc(C(=O)N(C)C)cc4)c3)cnnc21 1857593487 AGOGGKXFKNFMIO-UHFFFAOYSA-N 389.434 4.021 0 1 GIAF CC1=C[C@H](CN2CCC(O)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 2356301166 WOJQKANMTTXFGZ-NLWGTHIKSA-N 389.584 4.221 0 1 GIAF CC1=C[C@H](C)[C@@H]2[C@H](C=C[C@@H]3[C@H](C)C=CC=C[C@H](C)OC(=O)C[C@@H](O)CC(=O)[C@@H]32)C1 2356798578 SRCLLXWLXDWBMK-XCFWQYDWSA-N 398.543 4.411 0 1 GIAF CC(C)(C)OC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccc(Br)cc1 36387554 YHHXKKVGDFLCDH-ZDUSSCGKSA-N 386.286 4.357 0 3 GIAF CC(C)(C)c1ccc(C(=O)N2CC[C@@]2(C)C(=O)Nc2ccc3[nH]ncc3c2)cc1 61929145 DBGAAYNIWUIMPP-QHCPKHFHSA-N 390.487 4.104 0 3 GIAF COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4053451 JIQWZRDJDJEMDE-GMAHTHKFSA-N 386.451 4.103 0 1 GIAF CCCCNC(=O)c1onc(CSc2cccc3ccccc23)c1C(=O)O 8672370 UBECOFGYMGFXNF-UHFFFAOYSA-N 384.457 4.348 0 3 GIAF COc1cccc(OC)c1[C@H]1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258965 JXOZVFVJLIGZMP-OAHLLOKOSA-N 395.377 4.466 0 1 GIAF CCC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(F)ccc1c2=O 61921268 QUOAVNHESIBJBZ-GOSISDBHSA-N 387.414 4.263 0 3 GIAF O=C(Nc1n[nH]c2ccc(-c3cn(Cc4ccccc4)nn3)cc12)c1ccccc1 63298292 UDFDIIVNIYWXDM-UHFFFAOYSA-N 394.438 4.122 0 1 GIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccccn1 26578974 QHYDNYDBCGHTJQ-HXTJDARSSA-N 392.455 4.420 0 1 GIAF Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1ccc(O)c(-c2ccccc2)c1 29394563 AZGXHCIRIHZHBW-UHFFFAOYSA-N 377.396 4.491 0 1 GIAF O=C(O)COc1cc2c(c(Cl)c1Cl)S(=O)(=O)C(C1CCCCC1)=C2 26382044 LCLRFTCKQDYVJP-UHFFFAOYSA-N 391.272 4.165 0 1 GIAF CCN1C(=O)S/C(=C\C2=Cc3cc(Br)ccc3O[C@H]2C)C1=O 95595038 ZIKCFGCZPNQAFZ-JNNKLVPLSA-N 380.263 4.213 0 1 GIAF O=C(NC1CCCCC1)Oc1cccc(-c2cc(CO)nn2-c2ccccc2)c1 299859872 ILKKGCPKHNPJJE-UHFFFAOYSA-N 391.471 4.453 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)O)Oc3c(C)cc(C)cc31)CC2=O 587485667 JMLKBLFLIPWXCE-HSZRJFAPSA-N 394.423 4.183 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 587485545 ICNKYDSKWPJVKH-FIRDEBMASA-N 387.476 4.221 0 1 GIAF CC(=O)c1c(C)[nH]c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587587786 HVJSKEDTCZYVKF-CVDCTZTESA-N 391.423 4.417 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2cccnc2)N1 587774025 KYVTUSQRHBGIFE-ZMZPIMSZSA-N 377.257 4.006 0 1 GIAF O=C1c2ccccc2-c2c(CCNC(=O)C3CCCC3)cnc3ccc(O)c1c23 586988757 PVWHBECZJOGUOR-UHFFFAOYSA-N 386.451 4.001 0 1 GIAF O=C1C[C@H](C2CCN(Cc3cccnc3)CC2)Oc2c1ccc1c2CCCC1 587512873 GFRXKHAVVRYSDZ-HSZRJFAPSA-N 376.500 4.206 0 1 GIAF COC(=O)c1ccsc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587848075 ZLGPRRYQCWUXMU-RTHLEPHNSA-N 384.270 4.060 0 1 GIAF Cc1cc(C(F)(F)F)nn1CCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874037 OQFNFCQWTSQXQY-UHFFFAOYSA-N 380.301 4.049 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1c(C)noc1C)O2 587395927 WHEOJAVUNUMUJY-OAQYLSRUSA-N 378.428 4.468 0 1 GIAF C[C@]1(c2ccnc(Cl)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336725 ZJRSGEUYDSDYIP-FXAWDEMLSA-N 384.794 4.249 0 1 GIAF CCOC(=O)C[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587595208 JXWBQJQLLRNASG-RWAHWCJQSA-N 396.439 4.236 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cc3ccc[nH]3)[nH]2)N1 587790870 JJJOKZBLTHGMRG-WYRIXSBYSA-N 388.284 4.459 0 1 GIAF O=C1C[C@H](c2cc(O)cc(Br)c2O)Oc2c1ccc1c2CCCC1 587497629 DCTWZWVTDDAXST-QGZVFWFLSA-N 389.245 4.446 0 1 GIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(Br)cccc12 587498014 NNEZPZDZLBMSOA-FQEVSTJZSA-N 398.256 4.141 0 1 GIAF CCOC(=O)C[C@]1(C2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587797107 LRCGDIRUYOTWRX-ADLMAVQZSA-N 384.289 4.071 0 1 GIAF CC(=O)Nc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587739561 ASTUXVQGXPHXBX-WLRWDXFRSA-N 391.284 4.479 0 1 GIAF COc1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc(OC)c1O 587785309 MUDJUWSJSADZLH-UHFFFAOYSA-N 383.629 4.369 0 1 GIAF Cc1cc(-c2ccc([C@@]3(C)N[C@H](C(=O)O)Cc4cc(F)ccc43)cc2)ccc1O 962903673 XMLRZYVMBPCDHD-XUZZJYLKSA-N 391.442 4.369 0 1 GIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(C(=O)O)=CN(C)c1c(C)cccc12 962941311 DPAZTXIYROYHQF-IZHWHUGBSA-N 387.483 4.063 0 1 GIAF COc1cc(Br)cc(OC)c1[C@@H]1NCCc2cccc(Cl)c21 963392233 ZBNICXOIVMZVBK-QGZVFWFLSA-N 382.685 4.355 0 1 GIAF C[C@H]1CC2=C(NC(=O)N[C@@H]2c2ccc(O)c(Br)c2)c2ccccc21 140018210 YCLJXUBKLRXEKU-DYZYQPBXSA-N 385.261 4.427 0 1 GIAF COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(Cl)c(Cl)c2)ccc1O 1772590435 INKMFTMDGZLMBG-UONOGXRCSA-N 381.255 4.282 0 1 GIAF CN(C)c1ccccc1N1C(=O)CS[C@@H]1c1cccc(Br)c1 169342628 DIYZTTKXMBVGBG-QGZVFWFLSA-N 377.307 4.294 0 1 GIAF O=C1c2ccccc2CN1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857642917 INCORVUFHIEXTN-QGZVFWFLSA-N 392.405 4.090 0 1 GIAF O=C(O)c1ccc(N(CC2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 1857649491 PUYXMXVRAIOOKI-UHFFFAOYSA-N 391.464 4.300 0 1 GIAF FC(F)(F)c1cccc(-c2nc(NCC3CCC3)nc(NCC3CCC3)n2)n1 223123547 VPNNRJRDRDIMTN-UHFFFAOYSA-N 392.429 4.376 0 1 GIAF Cc1c(C(F)(F)F)noc1OCC(=O)N(C)c1c(Cl)cccc1Cl 103198536 XWPGAKYAKDYYOG-UHFFFAOYSA-N 383.153 4.350 0 1 GIAF CN1[C@H]2CC[C@H]1CC(=CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100897361 NNRPWFPWLGYDNQ-SFTDATJTSA-N 382.454 4.353 0 1 GIAF COc1cc(-c2cnc(N)c3c(Br)csc23)cc(OC)c1OC 28884481 TWLCHRPTWCVAEB-UHFFFAOYSA-N 395.278 4.334 0 1 GIAF CN1C[C@@](O)(c2ccc(-c3nc4ccccc4s3)cc2)O[C@H]2CCCC[C@@H]21 40873886 MQFQMFCHONDGDU-IPJJNNNSSA-N 380.513 4.382 0 1 GIAF O=C(c1ccc(O)cc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 73221148 SXZAVRKDRJTGKM-UHFFFAOYSA-N 388.467 4.143 0 1 GIAF COc1cc(N[C@@H](C)CCCNC(=O)NCc2ccccc2)c2ncccc2c1 42922884 DOBCSXPMPWOOCH-KRWDZBQOSA-N 392.503 4.323 0 1 GIAF Cc1cc(OCc2ccc(F)cc2)c(Br)c(=O)n1-c1cccnc1 49034362 XYQSURDVJCTREQ-UHFFFAOYSA-N 389.224 4.022 0 1 GIAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2ccccc2)C1 82132906 CJJSHGCXNLJKKR-ROUUACIJSA-N 378.520 4.395 0 1 GIAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]24CC[C@@]3(C[C@@H]2C(C)(C)C(C)(C)O4)[C@H]1C5 84758956 FTOZVQKYOSPMCR-CVJYJHGOSA-N 395.543 4.025 0 1 GIAF Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)N(C)Cc2ccc(Cl)cc2)c1 149184100 MBBVGWVPFHDCQH-HSZRJFAPSA-N 398.934 4.149 0 1 GIAF COc1ccc(-c2onc(C(=O)N3CCOCC3)c2-c2ccc(Cl)cc2)cc1 96928084 KYCOBVXWLGBALN-UHFFFAOYSA-N 398.846 4.143 0 1 GIAF CC[C@H](C)COc1ccc([C@H](CN)NC(=O)[C@H]2C[C@@H]2c2cccs2)c(C)c1 141407501 BODVPNMHLGISLM-DSYPUSFNSA-N 386.561 4.401 0 1 GIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3nc4ccccc4nc3C)C2)cc1 96172956 CXSRLBDWYJGTRE-OAHLLOKOSA-N 375.472 4.288 0 1 GIAF CC[C@@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)Nc1cccc(O)c1 25429450 UHBGMGYDQVLRMP-WBVHZDCISA-N 384.451 4.048 0 1 GIAF biogenic CC(C)(C)OC(=O)N1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O 653848801 WGXUOYQUTHHSEZ-UHFFFAOYSA-N 396.422 4.342 0 1 GIAF Cn1ccnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1 653668887 QOPNKBICHLDAEI-UHFFFAOYSA-N 399.450 4.345 0 1 GIAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(Cl)cc(C)c3[nH]2)cc1 587226175 WGILATBJOIWJCD-UHFFFAOYSA-N 386.839 4.023 0 1 GIAF CC(C)CCOC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595938 MAPDKUFUYOEFFF-KNQAVFIVSA-N 384.428 4.092 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(N)ccc21 587473449 VFFDIOWISGCQIZ-VWLOTQADSA-N 399.446 4.380 0 1 GIAF O=C1O/C(=C\c2nc3c(Cl)c(Br)cnc3[nH]2)c2ccccc21 586906762 QFRBSFCUIPXSMZ-YHYXMXQVSA-N 376.597 4.042 0 1 GIAF Brc1cncc2nc(-c3cccnc3NCc3ccccc3)[nH]c12 587230793 ZOLOMAVGTGRKTJ-UHFFFAOYSA-N 380.249 4.395 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc2nccnc2c1 587862715 WQIIROJKQDENKY-UHFFFAOYSA-N 398.344 4.209 0 1 GIAF CCCCc1ccc([C@]2(C(=O)OCC)CC(=O)c3cc(C)cc(N)c3O2)cc1 587400531 QPCHGGMKRNJTPQ-QHCPKHFHSA-N 381.472 4.344 0 1 GIAF CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(N)cc2O1 587746988 OHJLLBSASDGISO-OVWNDWIMSA-N 389.268 4.244 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cnc(Cl)[nH]c-3n2)c1 587147392 PTKARWMGXHLWNM-UHFFFAOYSA-N 398.781 4.138 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2cccn2)cc1 587580100 HDHHQZYVRJXKQN-ZJSXRUAMSA-N 398.418 4.340 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(C3CCCC3)CC2)N1 587766765 HQMOSOWBRWRYGN-ZDUSSCGKSA-N 381.333 4.356 0 1 GIAF Cc1cnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2c1 587026942 NSQRFQQDNHTYTP-JQHSSLGASA-N 380.517 4.403 0 1 GIAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1Cc1ccccc1 587516406 CROOQVSGCSRQRB-XMMPIXPASA-N 387.483 4.394 0 1 GIAF CCOC(=O)c1c(-c2ccc(F)c(Cl)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649908 MSNNVVPDFLNJSO-UHFFFAOYSA-N 395.839 4.208 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](c2ccc(Cl)cc2)(C2CC2)N1 963216653 CBGVOADBHWLOEL-IRLDBZIGSA-N 378.859 4.141 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@]2(C)c1cnn(-c2ccc(F)cc2)c1C 963272291 ZDQUWUGEHQLPBP-OAQYLSRUSA-N 385.870 4.391 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OC(F)(F)F)ccc3C2)cc1 1772628217 QQCPQXCQUPTRQB-AWEZNQCLSA-N 392.421 4.341 0 1 GIAF O=C(O)[C@@H]1C[C@H](C(=O)OCc2ccccc2)c2c(Cl)cc(Cl)cc2N1 13455199 BOCRIMBCASJYAV-WFASDCNBSA-N 380.227 4.089 0 1 GIAF Cc1ccc(S(=O)(=O)N2CCCc3nc(-c4ccc(F)cc4)ccc32)cc1 169341169 JMUAASWCYDXJGJ-UHFFFAOYSA-N 382.460 4.338 0 3 GIAF CC(=O)n1c(=O)c2ccc(-c3cccnc3)cc2n2nc(-c3ccccc3)cc12 169350977 LRNOZFWNJPQHLT-UHFFFAOYSA-N 380.407 4.038 0 1 GIAF CSc1cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc2c(NCC(C)C)n1 200228303 MNOBPPSMKYLUJW-UHFFFAOYSA-N 395.532 4.078 0 1 GIAF O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cc(Cl)ccc1O 1857549582 PLKQVWNVUYJEFZ-UHFFFAOYSA-N 393.668 4.262 0 1 GIAF CSc1ccc(/C=C/c2nc3ccccc3c(=NCCCN(C)C)[nH]2)cc1 1857607925 CZPMLZVSDLAUQF-SDNWHVSQSA-N 378.545 4.308 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)NCCOc1ccccc1 4216079 YZXCGOVUBVTJMN-RTWAWAEBSA-N 384.476 4.489 0 1 GIAF CC(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@H](OC(=O)C(C)C)[C@]2(C)[C@@H]1C 13322640 IJCGYKJLAZFDNU-WHDIQXKMSA-N 376.449 4.009 0 1 GIAF biogenic O=C1Nc2cccc3c2[C@@]1(CCCCN1CCN(c2ccccc2)CC1)CCC3 13473675 OSNLZQMWBCDMGV-RUZDIDTESA-N 389.543 4.205 0 1 GIAF COc1c(OC/C=C(\C)C[C@H](C=C(C)C)OC(C)=O)ccc2ccc(=O)oc12 13481655 CSEHFWRYAPKMKF-KAPURRDVSA-N 386.444 4.415 0 1 GIAF CSc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1 13820986 BXKZQHDITACWMF-UHFFFAOYSA-N 394.540 4.235 0 1 GIAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1ccc(C)cc1)CCCC3 13837571 UHBYWTXOUSTTSQ-IBGZPJMESA-N 378.472 4.212 0 1 GIAF c1cn(-c2ccc(O[C@H]3CCCCN(Cc4ccc5c(c4)OCO5)C3)cc2)cn1 28818852 HGPUMTWTRGEZDO-NRFANRHFSA-N 391.471 4.035 0 1 GIAF O[C@@H](CNCCc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cccnc1 28958907 MYZUCBTUHNWFNO-KRWDZBQOSA-N 393.434 4.090 0 1 GIAF CC(=O)Oc1c([C@@H]2C=CCCC2)c(OC(C)=O)c2ccccc2c1OC(C)=O 45238546 WWNDGWFFIZIFHX-MRXNPFEDSA-N 382.412 4.439 0 1 GIAF CC(C)NC(=O)[C@@]1(C)C[C@@H]1[C@H](NC(=O)OCc1ccccc1)c1ccccc1 65731615 ONJDWAYKGBYQHM-VIZSFHNOSA-N 380.488 4.205 0 1 GIAF in-vitro Cc1nc2ccccc2n1-c1ccc(C(=O)N(C)[C@@H]2CCN(C3CCC3)C2)cc1 72122668 DNXMXCCCVCPJES-OAQYLSRUSA-N 388.515 4.033 0 1 GIAF CSCC[C@H](Nc1nc(-c2cccc(C)c2)cs1)C(=O)NCC(C)C 82191858 ZRGPJXCDGIPIMA-INIZCTEOSA-N 377.579 4.424 0 1 GIAF CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1 82214704 SIMLMNGLBNNXJE-ROUUACIJSA-N 380.536 4.354 0 1 GIAF CC(C)c1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@H]2C(=O)O 84707054 VLLLMEJFASALIE-SFHVURJKSA-N 379.481 4.447 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 85551921 KXGVEGMKQFWNSR-LWQXDJJRSA-N 392.580 4.478 0 1 GIAF endogenous,in-man CN1C(=O)[C@]2(CC(C)(C)Cc3ccc(-c4cc(F)cc(Cl)c4)cc32)N=C1N 95601414 XCWNHCCHTWHNEC-OAQYLSRUSA-N 385.870 4.101 0 1 GIAF CCCCSc1nc2cc(-n3nc(C)n(C(F)F)c3=O)c(F)cc2s1 103196982 YTTCDIQBJDTVMB-UHFFFAOYSA-N 388.440 4.379 0 1 GIAF Cc1onc(-c2ccccc2)c1COc1cc(C(F)(F)F)c(C(=O)O)cn1 143246978 UVCYFWFPMMOFLV-UHFFFAOYSA-N 378.306 4.341 0 1 GIAF C[C@]12CC[C@H]3[C@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCCCC1 169714135 DAGOSUFXFGLMMG-NBPQKTHJSA-N 384.564 4.272 0 1 GIAF Cc1nc2ccccc2c(=O)n1CC(=O)Nc1cc(C(C)(F)F)ccc1Cl 299825877 LGOPNUQQDXVBJX-UHFFFAOYSA-N 391.805 4.109 0 1 GIAF COc1ccc(-c2nnc(-c3ccc4nc(C5CC6(COC6)C5)[nH]c4c3)o2)cc1 586916460 ZLCFKSQSVOUTEQ-UHFFFAOYSA-N 388.427 4.183 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 586939641 QJQQBMBFTFCNIH-CQSZACIVSA-N 383.517 4.186 0 1 GIAF Fc1c(F)c(F)c2[nH]c(-c3cccn4c(Br)cnc34)nc2c1F 587008456 WEQLAYIGMHKPRG-UHFFFAOYSA-N 385.118 4.197 0 1 GIAF O=C(Nc1nc(Cc2nc3ccc(F)c(F)c3[nH]2)cs1)c1cccs1 587019954 UOXIDBJFVFQPTK-UHFFFAOYSA-N 376.413 4.202 0 1 GIAF Cc1cc(C)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 587118838 QILCOVPTTAPTFA-UHFFFAOYSA-N 387.203 4.400 0 1 GIAF FC(F)(F)c1nc2ccc(-c3nc4c(Br)ccnc4[nH]3)cc2[nH]1 587120569 PFXYYYIUOSCHBN-UHFFFAOYSA-N 382.143 4.283 0 1 GIAF COc1cc(OC)c2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1 587224779 HGWQQYPCCAJMSP-INIZCTEOSA-N 375.469 4.336 0 1 GIAF Cc1c(Br)cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c2c1C 587254089 GFGLQFUYIPIQLV-UHFFFAOYSA-N 394.276 4.479 0 1 GIAF CCOC(=O)C(C)(C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348242 NCZAWPVPSNLPBQ-PGRDOPGGSA-N 386.419 4.238 0 1 GIAF CC(=O)OC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587353031 KXEJIWQLPCIXOU-DHHCDUQHSA-N 384.403 4.135 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccccc4)Nc4ccccc41)[C@@H](C2)C3=O 587442892 ZOERBDJBMNOVOJ-QRJOEMBSSA-N 397.430 4.074 0 1 GIAF COc1ccc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587512756 PGIGZPYHLJEZAJ-QHCPKHFHSA-N 379.456 4.327 0 1 GIAF Cc1ccc([C@]2(CCn3cncn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587517110 HDOONGCVIDKXOC-DEOSSOPVSA-N 387.483 4.416 0 1 GIAF O=C(c1ccc2ncccc2c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659865 HDUPUWSUTFKXLJ-UHFFFAOYSA-N 395.393 4.439 0 1 GIAF COc1c(F)ccc(F)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587716728 DRMBNQUXJDYPNE-VPTHRUTESA-N 386.211 4.499 0 1 GIAF COc1cc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587722581 SSVBSWRXXRTAPJ-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF CC(C)N(C)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587738532 AZYUXAFWKBGPMA-BUXKBTBVSA-N 392.316 4.451 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc(N)ccc32)N1 587744994 ITKWEAOTNMDSFW-WYRIXSBYSA-N 375.285 4.285 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-n3ccnc3)c2)N1 587757011 UCGMFNJCRCZPLE-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF CCOC(=O)C[C@]1(CC2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799311 RSXRNNUPEFPFJE-BUXKBTBVSA-N 398.316 4.461 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(C)CC(=O)C[C@@]3(C)C2)N1 587819219 UHHYPBPHWKZELL-KOYCAYGZSA-N 380.301 4.487 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2OCCCO3)N1 587835233 OLUJXVDOEVOMRX-BBATYDOGSA-N 392.268 4.373 0 1 GIAF COc1ccc(-c2cc3ncn(CC(=O)c4cccs4)c(=O)c3s2)cc1 958026492 MBZNCINWKBUWPD-UHFFFAOYSA-N 382.466 4.078 0 1 GIAF CCO/C=C/[C@@]1(C(F)(F)F)NC2(CC2)Cc2ccc(Br)cc21 961319389 IDRRCTPDTIDXGK-MVGZEHJDSA-N 376.216 4.435 0 1 GIAF COc1ccc2c([C@@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)c(O)[nH]c2c1 962714425 OOOCEBFEOVPYLG-ZSEKCTLFSA-N 398.503 4.474 0 1 GIAF CCc1ccccc1[C@@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963154369 XDVLRYZTKBHOHR-JKSUJKDBSA-N 388.489 4.041 0 1 GIAF COC(=O)CC[C@@]1(c2ccccc2)c2cccc(Br)c2CCN1C 963279666 IKVQLLIHCILNNL-HXUWFJFHSA-N 388.305 4.134 0 1 GIAF COc1ccc2c(c1)CCCN2c1nc(N)nc2c(Cc3ccccc3)c[nH]c12 1772612146 PKCHURCPSDMMLR-UHFFFAOYSA-N 385.471 4.224 0 1 GIAF CCCc1ccc(C(=O)Nc2ccccc2-c2nnn(-c3ccc(O)cc3)n2)cc1 1772623067 VZJNOIQBYQXEEZ-UHFFFAOYSA-N 399.454 4.240 0 1 GIAF OC1CCN(c2ccnc3c(-c4ccc(Oc5ccccc5)cc4)cnn23)CC1 1857613980 YUNKAQVPDXNUIY-UHFFFAOYSA-N 386.455 4.150 0 1 GIAF Cc1c(C(=O)NN2C(=O)[C@@H](C)SC23CCCCC3)[nH]c2ccc(Cl)cc12 1911586538 WOGZKFHZSWALOW-GFCCVEGCSA-N 391.924 4.399 0 1 GIAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@@H](CC(C)C)NC(=O)[C@]32C(=O)CCC(=O)CCC1 2356520787 YQEDSESCWJZLEZ-SCRODYGQSA-N 385.548 4.394 0 1 GIAF CC(=O)OCC(=CC(=O)O)CC[C@@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@@]12C 2356615973 OEWYXUOBTOXNMX-DXIQSLLYSA-N 378.509 4.112 0 1 GIAF C[C@H]1CCCCc2c(O)cccc2C(=C(O)C=CC=CC=CC(=O)O)C(=O)O1 2356698137 JASBGADMEMUKAU-HNNXBMFYSA-N 384.428 4.073 0 1 GIAF CCN(Cc1ccncc1)C(=O)c1cc(COc2ccc(F)cc2Cl)on1 11816689 CFQBQFMTZRIARQ-UHFFFAOYSA-N 389.814 4.103 0 3 GIAF COc1cc(Br)c([C@H](C)NC(=O)c2ccc(C)cc2)cc1OC 668029 BISVRZJEXDGHJW-LBPRGKRZSA-N 378.266 4.266 0 3 GIAF CC[C@@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774692 SXCDCQPVGOEHGT-GFCCVEGCSA-N 376.865 4.224 0 1 GIAF CC1=CCC(C)(C)C=CC[C@]2(C)Oc3cc(O)c(=O)cc(C)c3C[C@H]2C[C@H]1O 2356379375 REJAHZFROGUZPE-PDOGEWKWSA-N 384.516 4.444 0 1 GIAF C[C@]12CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1CCc1cc3[nH]c4ccccc4c3cc1O2 2356341768 WFJWYMIUZRCIHV-DWQJTFDBSA-N 379.456 4.267 0 1 GIAF COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccccn2)cc1 53229415 FIFFIZPPCKJACF-UNOMPAQXSA-N 386.411 4.227 0 1 GIAF CO[C@H]1[C@@H](Cc2ccc(C[C@@H]3C=C(C)[C@@H](O)C[C@H]3C(C)(C)O)cc2)C=C[C@H]1C 2356370185 MQWKANHJNPOKSF-QMXNGUBASA-N 384.560 4.323 0 1 GIAF O=C(Cn1nnc2ccccc21)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 117439194 WAJHNVZTIHWGQY-UHFFFAOYSA-N 398.470 4.011 0 1 GIAF CC/N=c1\c(NC(=O)c2ccc(Br)cc2)c(O)oc2ccccc12 103667264 YEEOBTSALQMINP-HKWRFOASSA-N 387.233 4.074 0 1 GIAF Cc1nc(-c2ccccc2F)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1 103294239 XLNYLVIXDXBPHW-UHFFFAOYSA-N 399.853 4.405 0 1 GIAF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(Cl)c(Cl)c1 29476793 KZJBOCQOBMSHNU-UHFFFAOYSA-N 390.196 4.266 0 1 GIAF O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 116911792 MXPHBFZARPUTMB-AWEZNQCLSA-N 394.740 4.033 0 1 GIAF CCCCCC(=O)CC[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)OC(C)C 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WZFPLHAHPBGRET-JOCHJYFZSA-N 392.455 4.305 0 1 GIAF COc1ccc(OC)c(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1OC 587928103 WOUYRNONUPXSSX-UHFFFAOYSA-N 388.423 4.487 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12Cc1[nH]c3ccccc3c1C2 587591873 XFQKSLQZSBCSGO-URXFXBBRSA-N 383.403 4.373 0 1 GIAF CC(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587579508 OMDUVKQLCXJZKM-NFBKMPQASA-N 389.407 4.228 0 1 GIAF Cc1cc2nc(-c3ccc4ncc(I)n4c3)[nH]c2cc1C 587188490 UIPALESGRLDLHZ-UHFFFAOYSA-N 388.212 4.099 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(C)=O)c4cccc1c43)CC2=O 587479122 BAVLWYSRTKPJAV-OYLFLEFRSA-N 391.467 4.449 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ncnc1Cl 587550774 BRQGEUOEHSTOKH-LRDDRELGSA-N 389.194 4.192 0 1 GIAF Cc1nc(O)c(Cl)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587696579 LGFMVRZYORZVOR-WNWIJWBNSA-N 399.691 4.448 0 1 GIAF Oc1nc(S)nc2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc12 587094919 KCCILTAFCZTQTP-UHFFFAOYSA-N 380.273 4.052 0 1 GIAF CC(C)(C)OC(=O)N1CCC[C@H](Oc2cccnc2-c2ccc(C(=O)O)cc2)C1 957692791 GKGMJTMJIYNIMO-KRWDZBQOSA-N 398.459 4.225 0 1 GIAF Clc1ccccc1C[C@]1([C@H]2CCCS2)NCCc2nc3ccccn3c21 962992103 XCPDTVNALHOJJL-WIYYLYMNSA-N 383.948 4.467 0 1 GIAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3C3(CCC4(CC3)CC4(F)F)N12 962636957 KDXCAUTUHBTVQQ-XVAXZDLZSA-N 386.442 4.128 0 1 GIAF CN1CCOC[C@@H]1Cn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 13781957 VPECISRBELGQJE-IBGZPJMESA-N 384.479 4.356 0 1 GIAF O=c1cc(-c2cccc3c2Sc2ccccc2C3)oc(N2CCOCC2)c1 1857595017 CORFNGYLXZFTMD-UHFFFAOYSA-N 377.465 4.199 0 1 GIAF COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 767595 JIQWZRDJDJEMDE-FYYLOGMGSA-N 386.451 4.103 0 1 GIAF CN(C)C(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1cccc2ccccc12 770196 DVAXTTZOVDLKQN-JTHBVZDNSA-N 387.483 4.086 0 1 GIAF CCCCN(C=O)c1c(CC)nc2c(OCC(=O)c3ccc(F)cc3)cccn12 61895919 TZKNSRTXDDACJH-UHFFFAOYSA-N 397.450 4.060 0 3 GIAF Clc1ccc([C@H]2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1 28882992 PSPXVYVVQAMREV-HXUWFJFHSA-N 385.939 4.225 0 1 GIAF CC(C)CCCCC=CCCCCCCCC(=O)NCCS(=O)(=O)O 2356817421 DKUXMHXTWXLPKD-UHFFFAOYSA-N 375.575 4.494 0 1 GIAF CN(C(=O)CCl)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4025952 IMPPITSCOUNNJN-DOCRHMGXSA-N 381.988 4.456 0 1 GIAF biogenic COc1ccc(N(C)c2ncnc3cc(I)sc23)cc1 40380725 VJQREDKMGUVTDM-UHFFFAOYSA-N 397.241 4.072 0 1 GIAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCCC2)nc1-c1ccco1 82143122 NCWADVYXCRRSAJ-UHFFFAOYSA-N 390.487 4.389 0 1 GIAF N[C@@H](CS[C@](Cc1ccccc1)(c1ccccc1)c1ccc(O)cc1)C(=O)O 84706034 HDUFMLZMVUMKIL-JTHBVZDNSA-N 393.508 4.024 0 1 GIAF Cc1ccc(-c2nc3c(NCc4cccs4)ncnc3n2C[C@@H]2CCCO2)o1 82190459 WKMUPVVKBCQKLD-AWEZNQCLSA-N 395.488 4.247 0 1 GIAF Cc1ccc(CNC(=O)CCCNc2nc(-c3ccc(O)cc3)cs2)cc1 82195717 RLOXADVGNFVSAB-UHFFFAOYSA-N 381.501 4.333 0 1 GIAF COCc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)ccc1Br 199272139 JUDOVYVEFSZFDX-CYBMUJFWSA-N 399.329 4.041 0 3 GIAF CCC(=O)NC[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1CC1CCCC1 95871916 HJNDCCNZZCQHCR-VDKIKQQVSA-N 396.575 4.099 0 1 GIAF CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(C5=CCCC5)cc34)cn2)CC1 96274071 OFPAWSVSFCOFFP-UHFFFAOYSA-N 391.475 4.024 0 1 GIAF CN1C[C@](O)(c2ccc(-c3nc4ccccc4s3)cc2)O[C@H]2CCCC[C@H]21 261138428 MQFQMFCHONDGDU-XQBPLPMBSA-N 380.513 4.382 0 1 GIAF CN(C)CCOc1ccc(NC(=O)c2cccc(-c3cccc(O)c3)c2)cc1F 299856885 KQDWCMQFWQNZTA-UHFFFAOYSA-N 394.446 4.391 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NC[C@@H](O)CC 299881477 OBLYCLPDAJCETL-ZOCIIQOWSA-N 398.906 4.380 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCCO)c1ccc(F)cc1 587571761 PNHSKOPNBDSAEI-REWPJTCUSA-N 394.398 4.161 0 1 GIAF COC(=O)c1cc(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594980 QFHFKWRSNXJFRO-SIKLNZKXSA-N 390.391 4.190 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)ccc1C2 587571967 STWKWRDOPABDLS-OFNKIYASSA-N 376.383 4.421 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnn(-c2ccccc2)c1 587583685 WOMMXTFRNJFZMZ-REWPJTCUSA-N 384.391 4.281 0 1 GIAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)C2 587247522 SZEGMBZYWFHCDH-SFHVURJKSA-N 379.357 4.072 0 1 GIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@H](C)C(=O)O 587522203 KIXHNCPSGVUQSI-XCLFUZPHSA-N 396.439 4.132 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(C(=O)OCC)cc1)CC2=O 587484568 SELXTLGTDDYGHN-HSZRJFAPSA-N 382.456 4.488 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC(F)(F)C(F)F)cc1)[C@@H](C2)C3=O 587420293 FHSMLOSTEVSOQZ-SUMWQHHRSA-N 382.309 4.421 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(=O)OCC)cc1)CC2=O 587478610 GOPNAEKILKYDFM-QHCPKHFHSA-N 398.455 4.167 0 1 GIAF O=C(NCc1nc2cccc(Br)c2[nH]1)c1cccc(C(F)(F)F)c1 587111596 MPJDGNXILGUZQK-UHFFFAOYSA-N 398.182 4.274 0 1 GIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2c(Br)ccnc2[nH]1 587202891 IBIHSJKYWIKTSO-UHFFFAOYSA-N 397.317 4.301 0 1 GIAF COc1cc(OC)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807620 KUAHVCFMHGNXBY-WYRIXSBYSA-N 394.284 4.403 0 1 GIAF COc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)nn1-c1ccccc1F 587156344 LZXJVEMFSMFQBR-UHFFFAOYSA-N 378.194 4.265 0 1 GIAF CC(C)(C)c1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1 586927142 USIWWSKVBQCCPD-UHFFFAOYSA-N 384.501 4.079 0 1 GIAF O=C(O)CSc1ncccc1-c1nc2cc(OCc3ccccc3)ccc2[nH]1 586968036 JKZIWSNLFUKXCY-UHFFFAOYSA-N 391.452 4.381 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)OCCO3)N1 587833041 DZIUEFJUQFJSAX-JEOXALJRSA-N 392.268 4.157 0 1 GIAF Clc1ccccc1C[C@]1([C@@H]2CCCS2)NCCc2nc3ccccn3c21 962992100 XCPDTVNALHOJJL-GHTZIAJQSA-N 383.948 4.467 0 1 GIAF CCOC(=O)C1=C(c2ccc(F)cc2)N=C(C)[C@@H](C(=O)SCC)[C@@H]1CC 169721235 BUXRJNSRGYWWBC-JKSUJKDBSA-N 377.481 4.497 0 1 GIAF O=C(Nc1ccc(C2CCCCC2)cc1)[C@@H]1C(=O)O[C@H](Cc2ccccc2)C1=O 169727244 OSAPJMWJJQLGLB-NHCUHLMSSA-N 391.467 4.026 0 1 GIAF CNC[C@@H](C)OC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1 1857646938 NGSXICFLYJDDKB-GOSISDBHSA-N 399.531 4.253 0 1 GIAF O=C(NCc1ccc(CSc2nc3ccccc3o2)cc1)c1cccnc1 204983683 JBHVPXHZTGXVCC-UHFFFAOYSA-N 375.453 4.445 0 1 GIAF Cc1c2c(c(O)c3c1O[C@]1(C)CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]1C3)C(=O)OC2 2356369815 IRHNVLPQCCHRLJ-XKFBCCIWSA-N 398.499 4.486 0 1 GIAF CN(C)CCNC(=O)c1cc(Sc2cccc(Cl)c2)nc2ccccc12 3039932 KJAFNBRKGAOOND-UHFFFAOYSA-N 385.920 4.331 0 1 GIAF CC1(C)C[C@@H](NC(=O)Nc2cccc3c2C[C@@H](O)CC3)c2ccc(F)cc2O1 59262680 QICYXTGTQQCQCA-HNAYVOBHSA-N 384.451 4.099 0 1 GIAF Cn1cc(CN2C[C@H](F)[C@@H](OCc3nc4ccccc4o3)C2)c2ccccc21 2356299538 KLGIMSFNARLVAU-UWJYYQICSA-N 379.435 4.059 0 1 GIAF COCCN(CCOC)[C@@H]1CCCC[C@H]1OCCc1ccc2ccccc2c1 28653656 DLCPCSKXDLCQLX-DNQXCXABSA-N 385.548 4.305 0 1 GIAF O=C(NCc1ccccc1)c1cc([C@@H]2CCCCN2C(=O)c2cccs2)on1 61906679 YTCPLVWISBURQI-KRWDZBQOSA-N 395.484 4.034 0 3 GIAF CC(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@H](C(=O)COC(=O)C=Cc3ccccc3)[C@@H]12 2356656209 FAXXBSGOEYEFII-QZVVCZJMSA-N 384.516 4.272 0 1 GIAF CC1(C)OC[C@H]([C@]2(C)C=C3[C@H](O)C[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC2)O1 2356753128 VRLDAMQNTHAYBJ-RWVNIFBTSA-N 378.553 4.049 0 1 GIAF Cc1ncc([C@@H](CNC(=O)c2cccc(Cl)c2Cl)c2ccncc2)cn1 217372874 BCABALOMZTTXRL-INIZCTEOSA-N 387.270 4.049 0 1 GIAF C[C@](O)(c1cncc(-n2nc(C(F)(F)F)c3ccccc32)c1)C(F)(F)F 221343960 JARSMHCNHDDFGP-AWEZNQCLSA-N 375.272 4.209 0 1 GIAF c1ccc(-c2cn(-c3ccc4ccccc4n3)nn2)c(NCc2ccncc2)c1 40874061 HOSSHWBHVBXAGD-UHFFFAOYSA-N 378.439 4.490 0 1 GIAF CCOc1ccc2cc(-c3nn(C4CCCCCC4)c(N)c3C(N)=O)cnc2c1 221711867 CMVANALWKBATOM-UHFFFAOYSA-N 393.491 4.073 0 1 GIAF CCN(CC)c1nc(NCc2cccc(F)c2)nc(Oc2ccc(OC)cc2)n1 82067064 DCVBRBIENBHBIZ-UHFFFAOYSA-N 397.454 4.270 0 1 GIAF Cc1cc(Oc2ncc(Cl)cc2Cl)ccc1-c1c(C)c(O)nc(=O)n1C 261189053 YKNOPAFVQDUWHX-UHFFFAOYSA-N 392.242 4.264 0 1 GIAF CCCCCCCCCCCCCC[C@@H](C(=O)O)[C@](O)(CC(=O)O)C(=O)O 85636974 ABKLOAXZFTXYAG-OXJNMPFZSA-N 388.501 4.069 0 1 GIAF biogenic N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)c(F)cc2[nH]1 587174371 ITQSDTIDUJQEMX-CYBMUJFWSA-N 391.219 4.327 0 1 GIAF CCOC(=O)C[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587595207 JXWBQJQLLRNASG-RSDPBLMXSA-N 396.439 4.236 0 1 GIAF CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C2CC2)n1 587583666 WKTSRNLRKYVFQK-AVRDEDQJSA-N 376.412 4.189 0 1 GIAF C[C@]1(COc2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566952 CNPBRRZKYBHUNX-SIKLNZKXSA-N 398.361 4.470 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(O)c(Br)c1)[C@@H](C2)C3=O 587412630 JLRSYIVEQLSHCB-BTDLBPIBSA-N 395.636 4.305 0 1 GIAF C[C@]1(CCc2ccc(OCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520929 GPTANKQQDHQOJP-DEOSSOPVSA-N 394.467 4.386 0 1 GIAF CC[C@H](C)OC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343979 AYKOJVJSPURSQC-DLQQFWPKSA-N 386.419 4.381 0 1 GIAF CC(=O)C[C@@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587726291 HXPFXEQVSYUMHV-WYRIXSBYSA-N 394.259 4.484 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN(Cc5ccccc5)C[C@H]4C1)[C@@H](C2)C3=O 587441040 CVVXLOWDDONSRC-UGAHGUMRSA-N 389.495 4.114 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](CC(=O)O)c2cc(OC)ccc21 587483032 UCRDJNCUHCZUTE-ZLOXQWCVSA-N 396.439 4.176 0 1 GIAF CCOc1n[nH]c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1Cl 587065373 PABXSZBOYXKNLV-UHFFFAOYSA-N 376.041 4.421 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)CCC(C)C)cc1)O2 587410698 WJWVIBMYAGCIPK-FQEVSTJZSA-N 387.501 4.104 0 1 GIAF Cn1cc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2n1 587583191 UNUWHKQRPHEJJZ-REWPJTCUSA-N 386.407 4.156 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2cccs2)(C(=O)O)N1 587856621 YCMLJWPQFYJTJK-NRTPJKNRSA-N 396.281 4.177 0 1 GIAF O=C(Nc1ccccc1Cl)c1nc2cc(I)ccc2[nH]1 587060214 GEALKZWVGNQTJM-UHFFFAOYSA-N 397.603 4.073 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)OCCO3)N1 587836694 XJJKJHTYGCNJLL-WYRIXSBYSA-N 392.268 4.157 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N2CCCC[C@H]2C)N1 587757617 ANZFGHVYDOMTOR-VLXJIEOASA-N 397.332 4.129 0 1 GIAF COC(=O)c1ccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2n1 587011677 JIQFPXBWOARUHK-UHFFFAOYSA-N 384.848 4.497 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(O)c3[nH]2)C[C@H]2CCCC[C@@H]21 587025153 DZALTVBTENYMEE-PVAVHDDUSA-N 381.501 4.405 0 1 GIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1 586971905 ASRIUUSORFBHAO-HNNXBMFYSA-N 394.422 4.087 0 1 GIAF CN1CCc2c(Br)cccc2[C@]1(C)c1ccc(C(=O)O)c(F)c1 963289622 OUOYQFMTJHRONE-SFHVURJKSA-N 378.241 4.038 0 1 GIAF Cn1ncc2c1CC(C)(C)C[C@@]21c2cccc(F)c2CCN1[C@H]1CCSC1 962698905 DBPKUBNWTKLFDK-OYHNWAKOSA-N 385.552 4.139 0 1 GIAF C[C@H]1c2ccccc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)C1CCOCC1 1772632815 KLMCQAIJZSREEK-MOPGFXCFSA-N 378.516 4.412 0 1 GIAF Cc1ccccc1[C@@H](CCOCCN1CCC[C@@H](C(=O)O)C1)c1ccccc1 13801387 BPRQUYYQWHMVSK-GGAORHGYSA-N 381.516 4.330 0 1 GIAF O=C1C[C@H](c2ccccc2)NC(=O)[C@H]1C(=O)Nc1ccc(C2CCCCC2)cc1 169727239 LTJDRUZRLUUWHU-IFMALSPDSA-N 390.483 4.119 0 1 GIAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@@H](c2cncc(F)c2)NC(=O)N1 206329077 LJLHENKEAGPYJF-GOSISDBHSA-N 391.431 4.001 0 1 GIAF NC(=O)c1ccc2[nH]c(-c3ccc([S@@](=O)c4ccc(Cl)cc4)cc3)nc2c1 13612149 XRGRHEXRUIGNAM-MHZLTWQESA-N 395.871 4.149 0 1 GIAF CCN1CCN(C(=O)c2cn3c4c(cccc24)CC[C@@H]3C2CCCCC2)CC1 14025036 AHQOXZVRRWNEIC-JOCHJYFZSA-N 379.548 4.487 0 1 GIAF CC(C)(C)OC(=O)Nc1ccc(-c2cnc(N)nc2-c2ccccc2O)cc1 40861862 ATIFBIHTYMKHCU-UHFFFAOYSA-N 378.432 4.445 0 1 GIAF C/C=C/c1ccc(O[C@@H](C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 40872288 UWSPBGKTPVZWIB-NPQIQWPPSA-N 386.444 4.404 0 1 GIAF biogenic,in-vitro NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 49071506 KOUKIXMZFKLIHI-QHCPKHFHSA-N 397.526 4.496 0 1 GIAF O=c1c2ccccc2cc2n1Cc1c-2nc2cc(Cl)ccc2c1Cn1ccnc1 58581309 BKOZNWZZXFPVFD-UHFFFAOYSA-N 398.853 4.477 0 1 GIAF Cc1ccccc1CNC(=O)c1cncc(-c2ccc(OC(F)(F)F)cc2)n1 64447500 FPNJKKHDVWOLJA-UHFFFAOYSA-N 387.361 4.281 0 1 GIAF CC(C)CN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccc(F)cc2)n1 82140477 XTXWPIDYXAERSH-IAGOWNOFSA-N 398.526 4.493 0 1 GIAF CC(C)CNc1ncnc2c1nc(-c1ccsc1)n2CCN1CCCCC1 82177961 KHSPADRJZQSTPD-UHFFFAOYSA-N 384.553 4.109 0 1 GIAF Cc1cc(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)cn1CCCC(F)(F)F 95556219 JETYTZFLVSGSDN-UHFFFAOYSA-N 396.453 4.198 0 1 GIAF Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCCC(F)(F)C3)cc12 118593129 SIBFPKPAHIKMSK-UHFFFAOYSA-N 384.839 4.418 0 1 GIAF CN(C)CCOCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 146448835 KQEOVQWECVSWLK-UHFFFAOYSA-N 396.560 4.153 0 1 GIAF COC(=O)C[C@@]1(C)CC[C@]2(O1)C(C(=O)OC)=CC[C@@H]1C(C)(C)CCC[C@]12C 238731500 SKINSGNGSUPVKT-DHWLSRIRSA-N 378.509 4.193 0 1 GIAF CC(=O)O[C@@H](CNC(=O)/C=C/c1ccccc1)c1ccc(OCC=C(C)C)cc1 238777324 HEOHAISYUOGPDX-PZVJUEDKSA-N 393.483 4.465 0 1 GIAF CCN(CC)CC[C@@H](C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 299862231 JLEPEBSBJCWJFQ-OAHLLOKOSA-N 388.537 4.092 0 1 GIAF COc1ccc2cc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)ccc2c1 299863451 OZAVTWIEZCDLKM-UHFFFAOYSA-N 377.371 4.049 0 1 GIAF O=C(c1ccccc1)c1c(C(F)F)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 377839272 JYWVVJVEWLOCDU-UHFFFAOYSA-N 386.161 4.269 0 1 GIAF COC(=O)c1cccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586914481 RCGNAQOUCDZCOR-UHFFFAOYSA-N 388.379 4.118 0 1 GIAF Brc1c[nH]c2nccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c12 587004067 QCJFTNYHMNJWDJ-UHFFFAOYSA-N 385.221 4.030 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(OC)c(C)cc3[nH]2)cc1 587041455 FTKNDUQYDKPTPG-SFHVURJKSA-N 397.500 4.166 0 1 GIAF COc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1OC 587172511 HLWUFCLEZRCXOC-UHFFFAOYSA-N 397.381 4.175 0 1 GIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(I)cc2[nH]1 587194834 CDBCLYONTJVSLA-LLVKDONJSA-N 391.256 4.385 0 1 GIAF COC(=O)C[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348235 GTQSZIOIDIHRGF-XFEAKLGESA-N 398.430 4.382 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cn(C)nc1-c1ccccc1Cl)[C@@H](C2)C3=O 587417656 DUTSCWSJHIMWGF-LHSJRXKWSA-N 380.831 4.238 0 1 GIAF COc1ccc(OCc2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587455260 LCHKZIVALGYCBW-WZONZLPQSA-N 392.407 4.365 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3cccn3)c1)CC2=O 587480964 WZFPLHAHPBGRET-QFIPXVFZSA-N 392.455 4.305 0 1 GIAF CCc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587530214 FFLMFUDQDZJLNL-DEOSSOPVSA-N 390.435 4.349 0 1 GIAF C[C@]1(c2ccccc2-n2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577111 MBVJQBAYXUJSTI-ZJSXRUAMSA-N 398.418 4.455 0 1 GIAF COc1ccc2c(c1)OC=C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612514 VNJFPICBHISKBE-OFNKIYASSA-N 388.375 4.164 0 1 GIAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(F)c1O 587721213 PHBDBZNHJBEVKF-BCTVWOGZSA-N 384.220 4.065 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587725521 QSBHTAYCCXYIEN-VVVCHXIZSA-N 396.231 4.138 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C[C@@H]2CCCO2)N1 587752382 CNQPABZNOVXMBU-UHYGZKCKSA-N 393.300 4.192 0 1 GIAF Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnn1C(C)C 587763783 MKADGMRDDXLHCG-ZMZPIMSZSA-N 380.305 4.472 0 1 GIAF Cc1[nH]c(C(=O)O)c(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790069 GQUNZIIJVPWCST-DCXZOGHSSA-N 395.272 4.029 0 1 GIAF COC(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587807766 NCAZRGUMJWQKGU-NSPYISDASA-N 392.268 4.173 0 1 GIAF COc1cccc2c1[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587809417 QHOLGIZLRLYLCF-WYRIXSBYSA-N 376.269 4.321 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@H](c2ccc(-c3ccncc3)cc2)N1)C(F)(F)F 962715053 SWSPEUHSDHLMKI-PMACEKPBSA-N 382.385 4.484 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@@H](c2c(F)cc(F)cc2Cl)N1)C(F)(F)F 962728233 DANMPIDRTYGODP-ZFWWWQNUSA-N 375.724 4.353 0 1 GIAF Cc1sc2c(c1C)CCN[C@@H]2c1sc(Br)c2c1OCCO2 963029390 RTDFUSYAAIXIDO-JTQLQIEISA-N 386.336 4.195 0 1 GIAF Cc1cccc2c1c(Sc1cccc(C(=O)O)n1)c(C)n2-c1cnn(C)c1 1772583839 NTIVIDAXZAVTEL-UHFFFAOYSA-N 378.457 4.225 0 1 GIAF C[C@H](C(=O)Nc1ccc2c(c1)COC2=O)c1ccc(C(=O)c2ccccc2)cc1 1857640772 DLYYFLSJYVOBAM-HNNXBMFYSA-N 385.419 4.330 0 1 GIAF CCc1nc2c(OCc3ccccc3OC)cccn2c1N(C)C(=O)C(C)C 61897602 WCYUXAHERKMHLD-UHFFFAOYSA-N 381.476 4.103 0 3 GIAF COc1ccc(C[C@H](N)c2csc(NC(=O)Nc3ccc(OC)cc3)n2)cc1 61897726 RHRRZHXIVSZXMX-KRWDZBQOSA-N 398.488 4.047 0 3 GIAF COc1cccc(CN2C(=O)COCc3cc(-c4ccccc4OC)ccc32)c1 205221062 MYFVHQXQKOVCFO-UHFFFAOYSA-N 389.451 4.434 0 3 GIAF CCOc1ccccc1C1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N(C)C 4205035 IZGGVUXLSMMTSF-MJGOQNOKSA-N 390.842 4.058 0 1 GIAF Cc1cc(C)c(/C=C2\C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]1 13445425 YFDRVUYGJJBGOU-GHXNOFRVSA-N 383.814 4.450 0 1 GIAF Cc1c(C)c2c(c(C)c1O)[C@H](CN1CCN(Cc3ccccc3)CC1)C(C)(C)O2 22934303 YGEZOQHLPXLULX-NRFANRHFSA-N 394.559 4.390 0 1 GIAF COc1ccc(N2Cc3cccc(C)c3C2=O)cc1OCCN1CCC(C)CC1 28821888 WUJDPKNBJZMFGI-UHFFFAOYSA-N 394.515 4.275 0 1 GIAF COc1ccc(COC[C@H](Cn2ccnc2)OCc2ccc(SC)cc2)cc1 29337108 FXCUBDAKSAHTID-NRFANRHFSA-N 398.528 4.416 0 1 GIAF CC(C)Cc1ccc([C@H](C)C(=O)CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1 29476676 SIEDODCWJQDLIJ-PGRDOPGGSA-N 391.511 4.176 0 1 GIAF O=C1OC2(CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c2ccccc21 34229645 GOSQWFMKXKORBV-UHFFFAOYSA-N 387.361 4.248 0 1 GIAF CC(=O)N(C)c1cccc(CNc2cc(C)nc(Nc3ccc(C)cc3)n2)c1 45322628 IZIIHWBIZCJNMG-UHFFFAOYSA-N 375.476 4.432 0 1 GIAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3F)n2)C1 82152306 IEDOGDIVOFGOOW-CALCHBBNSA-N 396.510 4.391 0 1 GIAF CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(F)cc4)ncc3c2)ccn1 82152992 KUWGNPALVIAANV-UHFFFAOYSA-N 389.390 4.059 0 1 GIAF CCCc1nc2c(NCc3ccccc3C)ncnc2n1CC[C@@H]1CCCN1C 82180481 KGKDSVMHJBALAA-IBGZPJMESA-N 392.551 4.184 0 1 GIAF O=C1CCC(=O)N[C@H](c2ccc(F)cc2)C/C=C\C[C@@H](c2ccc(F)cc2)N1 95662271 IWVMGMIALIQDHQ-XLLYZGMYSA-N 384.426 4.110 0 1 GIAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)C1 96929232 AXJXHEHQTGYGND-WZONZLPQSA-N 392.547 4.068 0 1 GIAF COc1ccc([C@@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1 103290042 TYRRNKNTRGLDAB-IRXDYDNUSA-N 390.468 4.437 0 1 GIAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@H]1COc2cncc(C3CC3)c21 146505414 SRHDBOPTCYBGNF-AWEZNQCLSA-N 396.796 4.424 0 1 GIAF CC(=O)OC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H](CC/C(C)=C/C(=O)O)C(C)=CC[C@@H]21 238752463 CBLDNPFHFIUPAK-PLJZUUASSA-N 378.509 4.110 0 1 GIAF Cc1cnc(Cl)c2[nH]c(-c3csc(CNC(=O)OC(C)(C)C)n3)nc12 587014112 LAWVGOYQBMIMII-UHFFFAOYSA-N 379.873 4.068 0 1 GIAF Fc1cc2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2cc1Br 587043285 YPNGBVVODPXBQU-HOTGVXAUSA-N 392.297 4.411 0 1 GIAF COC(=O)c1ccc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2n1 587045920 JORVFGDKYLSCJQ-UHFFFAOYSA-N 389.839 4.108 0 1 GIAF Fc1ncc(Br)cc1-c1nc2cc(Br)cc(F)c2[nH]1 587178207 VFHHLZLHSIKHQR-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccn1 587338228 NKASEJOLRTWKBO-RBBKRZOGSA-N 379.387 4.209 0 1 GIAF CCCc1c(O)ccc2c1O[C@H]([C@]1(C)CCN(C(=O)OC(C)(C)C)C1)CC2=O 587479992 VUUHVHHMOCJEGF-PGRDOPGGSA-N 389.492 4.326 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCCC(=O)OCC)(c1ccccn1)CC2=O 587488523 OVCUBCMEINMWEF-HSZRJFAPSA-N 397.471 4.334 0 1 GIAF CCC[C@]1(/C(=C\N(C)C)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587513743 UEUDSLFDHQJBSB-VPULJAIHSA-N 385.504 4.078 0 1 GIAF Cn1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1-c1ccccc1 587578405 ACNZLRDFATZELL-HYBUGGRVSA-N 398.418 4.496 0 1 GIAF CC(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587579510 OMDUVKQLCXJZKM-OFNKIYASSA-N 389.407 4.228 0 1 GIAF COc1cc(OC)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587600535 OHQQAUNWTQQEEX-DENIHFKCSA-N 378.380 4.112 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(N)CC[C@@]2(C)C3(C)C)N1 587745700 KGCPOVOUYHNYOJ-VNNGDKDKSA-N 381.333 4.245 0 1 GIAF Cc1nc2c(C)cccn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587776883 YUSAZFDZLKGCIQ-GTNSWQLSSA-N 388.284 4.476 0 1 GIAF CCOC(=O)[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587797712 NBMCIBYXCZDXAN-FNFWKMNBSA-N 384.289 4.071 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C[C@H]1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587798946 QFWIPHVPOFESLN-NMRSOGARSA-N 398.316 4.317 0 1 GIAF Cc1cc(C(=O)O)sc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587846658 VIZSLYCNSOFOBP-RMLUDKJBSA-N 384.270 4.280 0 1 GIAF COc1ccccc1-c1cc([C@@H]2NCCc3cc4cccc(OC)c4nc32)on1 963038030 RJUNMZGWWZRHRL-QHCPKHFHSA-N 387.439 4.142 0 1 GIAF CCCCCc1ccc(-c2ccc3c(=O)n(C[C@@H]4CCCO4)c(=N)[nH]c3c2)cc1 1857642438 ZHLPFTVHHADULF-FQEVSTJZSA-N 391.515 4.388 0 1 GIAF COC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(CN2CCCCC2)cc1 1911580495 LYNNSWXIECXRNG-UHFFFAOYSA-N 392.499 4.052 0 1 GIAF CN(C)C1C=CC(=C2C=CN(CC(=O)c3ccc(Br)cc3)C=C2)C=C1 2356826995 HMLLLFYXQIWCGA-UHFFFAOYSA-N 397.316 4.328 0 1 GIAF CC[C@@H](C(=O)N1CCC(C)CC1)n1nc(C)c2sc3ccccc3c2c1=O 6799216 AJNRZVVFTSOQNU-INIZCTEOSA-N 383.517 4.129 0 1 GIAF O=C(C1CCN(c2ncnc3c2sc2cccc(F)c23)CC1)N1CCCCC1 6806402 GMGGPTQEUBHAJT-UHFFFAOYSA-N 398.507 4.213 0 3 GIAF CNc1cc(OC)c2sc(C(=O)c3cc(OC)c(OC)c(OC)c3)cc2c1 103233969 SDCGZNWDJSNZMA-UHFFFAOYSA-N 387.457 4.208 0 1 GIAF COc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCCCC5)C[C@@H]3N4)cc2)c1 100106291 UHCQNJSVLGYHIP-BKFWDETESA-N 390.527 4.209 0 1 GIAF O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccccn2)O1 29416629 WXHWCSHUPWJHQF-YJQVQVLHSA-N 394.254 4.047 0 1 GIAF CNC(=O)N1Cc2c(ccc([C@]3(C)CCCC(C)(C)C3)c2[C@@H](C)C(=O)O)C1=O 2356805254 ZQQLQLZNBHFWAS-MCMMXHMISA-N 386.492 4.028 0 1 GIAF CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 61907580 FLKQZVLCRUROLA-SFHVURJKSA-N 388.395 4.043 0 3 GIAF CCN(CC)C(=O)c1ccc(C2=C[C@]3(CCCNC3)Oc3ccccc32)cc1 43013600 GRPWVPMQIZXAHG-DEOSSOPVSA-N 376.500 4.115 0 1 GIAF CC1=C(Br)C[C@]2([C@H](O)C1)C(C)(C)C(Br)=C[C@@H]1O[C@@]12C 14860908 MYCHIDVDJCGUGV-DHMWGJHJSA-N 392.131 4.273 0 1 GIAF biogenic CC(C)(C)c1ccc(-n2ncc3c2CCC[C@H]3NC(=O)c2ncccc2O)cc1 45256441 LTEHXASVGIPKAL-GOSISDBHSA-N 390.487 4.078 0 1 GIAF COc1ccc(NC(C)(C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)cc1 142311121 FEDBUUAEZQTLPA-UHFFFAOYSA-N 381.461 4.010 0 1 GIAF CCN(CC)CCOc1nc2c(-c3ccc(OC)cc3)cnn2c2ccccc12 96933160 CMGVCYSLJAIWNX-UHFFFAOYSA-N 390.487 4.279 0 1 GIAF O=C1C(c2ccccc2)=NCCN1[C@@H](c1ccc(F)cc1)c1nc2ccccc2[nH]1 95600617 CYMPDGLSVOAGHF-QFIPXVFZSA-N 398.441 4.123 0 3 GIAF COc1ccc(N(C)S(=O)(=O)c2ccc(-c3cccc(OC)c3)cc2)cc1 96937544 BDBNXSRLAWWJLY-UHFFFAOYSA-N 383.469 4.196 0 1 GIAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4ccc5cnnc(O)c5c4)cc32)[nH]1 653758371 KBTRQNUCQJLXLF-GRSHGNNSSA-N 382.423 4.440 0 1 GIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)cnc2[nH]1)C(C)(C)C 587204096 IEVZXHINDYSYFA-GFCCVEGCSA-N 397.317 4.202 0 1 GIAF O=c1ccc2cc(-c3nc4ncc(Br)c(Cl)c4[nH]3)ccc2o1 586916585 KDHYSEHJMSXGSB-UHFFFAOYSA-N 376.597 4.147 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(Cl)nc4cc(Cl)ccn14)[C@@H](C2)C3=O 587422231 SMGQWUWQGUSQQQ-GTNSWQLSSA-N 375.211 4.138 0 1 GIAF FC(F)(F)c1cc(-c2nc3cc(Cl)cnc3[nH]2)c(Br)cn1 587114720 GHNXXZOMJKBKGK-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CSCC(=O)O)(c1ccccc1)CC2=O 587492268 OBZAUGCGDWWLDW-OAQYLSRUSA-N 386.469 4.023 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(I)c1)O2 587387504 STTQZFBHGYUSFS-QGZVFWFLSA-N 393.224 4.062 0 1 GIAF C[C@@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2CCCC[C@H]2N1 587792318 IDNHAVRAXZBLHQ-WNUXUTQBSA-N 381.333 4.258 0 1 GIAF COc1cc(F)c(F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587722724 ZROBIYAJDIXOKA-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc-2[nH]1 586884529 QSAGNHWGHCJPIL-DUQZYUJVSA-N 375.476 4.090 0 1 GIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 586948355 NWZPKTGLTZPVGW-UHFFFAOYSA-N 383.395 4.399 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccnc1Br)CC2=O 587457690 BBUAAIDGYPLVCS-SFHVURJKSA-N 376.250 4.383 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-n2cccn2)c1 587584017 YJDNWKUEMBOZNJ-REWPJTCUSA-N 384.391 4.281 0 1 GIAF C[C@@]1(c2cnc3ccccc3n2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588901 VDVQXAHQOZUUDV-OFNKIYASSA-N 384.391 4.212 0 1 GIAF COC(=O)[C@H](C)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520873 GMFHPLUUULXIBQ-LHSJRXKWSA-N 380.440 4.212 0 1 GIAF CN1CCN(c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587514726 OLIOZGRDCZWFMY-QHCPKHFHSA-N 376.500 4.024 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)[nH]c(=N)n1-c1ccccc1)CC2=O 587459639 FBURUDDDOZTDJD-KRWDZBQOSA-N 397.862 4.303 0 1 GIAF Cc1cc(F)c2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2c1 586999519 FBQMNMDPEDCNPF-UHFFFAOYSA-N 389.180 4.252 0 1 GIAF C[C@]1(c2nccnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327134 FDLANNOPUBYXPT-UZLBHIALSA-N 384.794 4.249 0 1 GIAF CCCN1[C@H](C)Cc2ccccc2[C@@]12C=CN(CC(=O)O)c1c(F)cc(F)cc12 963244355 WFXINXQROUFDJR-IQMFZBJNSA-N 398.453 4.283 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cccc(OCc2ccccn2)c1 963635703 NVCCTSLMUDNOBO-FYSMJZIKSA-N 390.483 4.301 0 1 GIAF CCOC(=O)[C@@]1(c2ccc(C)s2)c2cccc(Br)c2CCN1C 963271458 UFSDDLNZUMFLOS-SFHVURJKSA-N 394.334 4.114 0 1 GIAF COc1ccc(C[C@@]2(C)NCCc3cc4cccc(OC)c4nc32)c(C)c1OC 963067145 NRJWHOXJHDENIT-XMMPIXPASA-N 392.499 4.173 0 1 GIAF CN1CCC([C@@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)CC1 963817754 PGJGWHSANXOHIA-RUZDIDTESA-N 389.543 4.450 0 1 GIAF CN1C(=O)C=C[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)c5ccc[nH]5)CC[C@@H]4[C@@H]3CC[C@@H]12 169321542 ADCZPIWAYHWQLK-LMVSYABHSA-N 380.532 4.453 0 1 GIAF CC(C)OC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@H]1c1ccoc1 1857535633 IGLFSTSEIWAKGP-HNNXBMFYSA-N 391.349 4.412 0 1 GIAF COc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccc(C)cc2)c1 1377644 ZWMBYDXJAOWXEA-VXKWHMMOSA-N 378.516 4.319 0 1 GIAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCCOC 4214604 KDHHIMJHGPAMFS-NHCUHLMSSA-N 390.524 4.252 0 1 GIAF O=c1/c(=C/c2ccc(O)cc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 13000501 TZPMEOAXHJDLAQ-HKWRFOASSA-N 396.471 4.343 0 1 GIAF CO[C@@H](C)C(=O)N(c1ccccc1F)[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C 26735425 FRLCLTFQCIWDIX-CNNODRBYSA-N 398.522 4.147 0 1 GIAF Cc1ccc2oc(-c3cccc(N4C(=O)c5ccc(C(=O)O)cc5C4=O)c3)nc2c1 26980650 SUKVIELCKKEBOJ-UHFFFAOYSA-N 398.374 4.302 0 1 GIAF O=C(CCCC(=O)c1ccccc1)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 28392460 WDIBIXVMVOZXEV-FQEVSTJZSA-N 384.907 4.084 0 1 GIAF CCCC(=O)Nc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1 28641612 ZYMNQQOSQZQDNQ-UHFFFAOYSA-N 386.887 4.411 0 1 GIAF CC(C)(C)c1nn(CC2CC2)/c(=N/C(=O)c2cccc(C(F)(F)F)c2)s1 29124972 NSEXFUFRRQQQFH-JWGURIENSA-N 383.439 4.412 0 1 GIAF COc1ccc([C@H]2CC(=O)N(c3ccc(C)c(N)c3)C2)cc1OC1CCCC1 34096838 SYJQCVFIQKFGHH-KRWDZBQOSA-N 380.488 4.428 0 1 GIAF COCCn1c(-c2cccs2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185083 ZENIRFWLWQFVNZ-UHFFFAOYSA-N 399.907 4.467 0 1 GIAF CC(=O)C[C@H]1CC[C@H](CCN2CCN(c3ncc(C)c4occc34)CC2)CC1 100636968 KSNFJYSPFGMJDT-BGYRXZFFSA-N 383.536 4.434 0 1 GIAF CCCN(CCC)C(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(C)ccc1C 103185364 DACKOIKCCZEVQG-UHFFFAOYSA-N 382.508 4.225 0 1 GIAF COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nc(O)c32)c1 104038942 GXIODKXDINALTR-OAHLLOKOSA-N 399.472 4.135 0 1 GIAF O=C(c1cccc(F)c1)N1CCc2ncc(OCc3cccc(F)c3)cc2C1 141967717 DEYRCJWTEFEXHK-UHFFFAOYSA-N 380.394 4.137 0 1 GIAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCCCC2)n2c1CCCC2)c1ccccc1 146110395 IPLOCWPGQHLICC-HXUWFJFHSA-N 393.531 4.332 0 1 GIAF C[C@@H]1CN(c2ncccn2)CCN1C(=O)c1ccc(-c2ccc(Cl)cc2)cc1 203799323 BYEFJGPFPNMSBM-MRXNPFEDSA-N 392.890 4.148 0 1 GIAF COc1cc(-c2nc(-c3coc4ccccc34)cnc2O)cc(OC)c1OC 299827288 GCFQRPUJLJGDNQ-UHFFFAOYSA-N 378.384 4.288 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 586937155 PNAVZXGVLHDRIJ-NSHDSACASA-N 397.422 4.326 0 1 GIAF COc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc2n1 587144354 IYJJQHXDTSXVMD-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF Clc1ccnc2[nH]c(/C=C/c3cccc(I)c3)nc12 587183214 BPGSUNXKBNOAQO-SNAWJCMRSA-N 381.604 4.386 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3ccc4c(c3[nH]2)CCCC4)CCC(=O)CC1 587233708 AMGTWFYLRRUDID-UHFFFAOYSA-N 383.492 4.305 0 1 GIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(Br)c(O)c2[nH]1 587233974 YHKDCCWAISJMHM-ONGXEEELSA-N 396.285 4.192 0 1 GIAF Cc1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c12 587238407 DBIDSGARVVAIDA-UZSYQUHHSA-N 385.508 4.426 0 1 GIAF Cc1c(Br)ccc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c12 587254562 NCODGIDKVXDOBA-UHFFFAOYSA-N 380.249 4.170 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(CCC(=O)O)=COc2ccc(Cl)cc21 587378233 AVVIDCFQSAGSQI-NRFANRHFSA-N 399.830 4.232 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4c1cnn4C(C)(C)C)[C@@H](C2)C3=O 587433404 XJCVDBSTPFLHGR-WNSKOXEYSA-N 380.488 4.262 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1CCN(C(=O)OC(C)(C)C)C1)CC2=O 587474018 BWAQWOCAQGVABQ-FPTDNZKUSA-N 389.492 4.326 0 1 GIAF C=CN1CC[C@@H]([C@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587474743 JHYUCTHUAPXDNV-NTKDMRAZSA-N 391.467 4.197 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)CCN3C(C)=O)CC2=O 587475090 LSQFIQZUKQPNGR-QHCPKHFHSA-N 379.456 4.134 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(OC)c1OC)CC2=O 587476867 GOUYSLZQQVOOKJ-QFIPXVFZSA-N 386.444 4.251 0 1 GIAF C[C@]1(CCCOc2ccccc2C(N)=O)CC(=O)c2ccc3c(c2O1)CCCC3 587512614 ZTMPJEPWEHPWDE-DEOSSOPVSA-N 393.483 4.247 0 1 GIAF CC(=O)N1CCc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587513145 HZFUZKBZYRDLKS-DEOSSOPVSA-N 375.468 4.355 0 1 GIAF COc1ncc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587702429 ZLUUIUYSHFJWJY-XLFHBGCDSA-N 399.691 4.443 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3(CCOCC3)CC2)N1 587833900 IIFQNNQZVGVIMI-DJJJIMSYSA-N 380.301 4.465 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3SCCS[C@H]32)N1 587855907 KPIVITAWXKAFBO-COAFDEQYSA-N 388.371 4.329 0 1 GIAF CN(C)c1cccc([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1 963181274 MQYMKIQAACWIQO-IRXDYDNUSA-N 398.812 4.113 0 1 GIAF COc1ccc(CSC(=S)NCc2nc(O)c3cc(C)sc3n2)cc1 1857646447 ATNDDIYIYHHYAC-UHFFFAOYSA-N 391.543 4.022 0 1 GIAF COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)c(N)c3)cc1)CC2 1857764810 HHXSVAFZPVIUJA-UHFFFAOYSA-N 390.483 4.217 0 1 GIAF CCC=C(C)C=C(C)[C@H](O)[C@H](C)[C@]12O[C@H]3[C@H](C)[C@](CC)(O1)O[C@](O)([C@@H]2C)[C@@H]3C 2356568901 QAPANHSCLYNNHY-JWPJNBOHSA-N 394.552 4.145 0 1 GIAF CCCCN1C[C@H](Cc2ccccc2)[C@@H](CC(=O)Nc2ccc(OC)cc2)C1=O 61923243 COPFYYHADDXKLN-SIKLNZKXSA-N 394.515 4.141 0 3 GIAF COc1ccc(CN(CC2CCC2)C(=O)c2cc(Br)c[nH]2)cc1 103232604 CROWTNQYRKUQEY-UHFFFAOYSA-N 377.282 4.228 0 1 GIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(Br)cc1 104115683 VSWZCCCWKDOKQA-VZHUHSAUSA-N 391.269 4.322 0 1 GIAF Brc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 28958699 SMIZFGZXFDGISG-UHFFFAOYSA-N 380.249 4.166 0 1 GIAF in-vivo Cc1cc(C)n(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)n1 64516673 PHPDMOSFWWXKFS-UHFFFAOYSA-N 388.423 4.301 0 1 GIAF COc1cc2c(Nc3ccc(Br)cc3)ncnc2c(OC)c1OC 28650283 JJBQCZLZOZXBQI-UHFFFAOYSA-N 390.237 4.162 0 1 GIAF CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)N(c3ccccc3)C2)cc1 29463080 DRSXUVYJEFTFCX-UHFFFAOYSA-N 389.476 4.048 0 1 GIAF COc1ccc(-c2nc(CN3CCN(c4cc(C)ccc4C)CC3)co2)cc1 72185413 FGSGJONKXWRRKI-UHFFFAOYSA-N 377.488 4.289 0 1 GIAF O=C(O)c1ccccc1Nc1cccc(Nc2ccccc2C(=O)O)c1C(=O)O 98208533 KUKYCRSGSBMBMX-UHFFFAOYSA-N 392.367 4.268 0 1 GIAF in-vitro CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]4C[C@@H](OC(C)=O)C(=O)[C@@]4(C)CC[C@H]32)C1 255282881 YALOOLVBDYZGLY-GBRHDRKCSA-N 390.520 4.072 0 1 GIAF COC(=O)c1csc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587610788 DXTGPDHJVRRNGT-DYESRHJHSA-N 396.420 4.117 0 1 GIAF COC(=O)Nc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cn1 587245571 WHMOEDYJVRXHEM-UHFFFAOYSA-N 381.617 4.219 0 1 GIAF CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587612404 UXKSGARWBZVJJR-GDXXPBPASA-N 394.423 4.004 0 1 GIAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2NC(=O)CCC(=O)O)cc1 587631624 RBOHNYHKAUMXKU-UHFFFAOYSA-N 390.798 4.439 0 1 GIAF CCC[C@H](C)OC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587788793 AMPCIEMNZHODSR-FTLABTOESA-N 386.305 4.460 0 1 GIAF N=c1[nH]cc2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc-2[nH]1 587072109 VTBAESKTLRZIME-RMKNXTFCSA-N 377.835 4.120 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586890949 RNJAQDWNINLCDN-AVRDEDQJSA-N 395.528 4.013 0 1 GIAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(F)c2[nH]1 586935104 CDSYRVONBDPBLP-OAHLLOKOSA-N 399.850 4.170 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(NC4=NCCCS4)cc1)[C@@H](C2)C3=O 587454135 VBPWTLMFMBZZFV-JTSKRJEESA-N 394.496 4.263 0 1 GIAF CC(C)Oc1cc2nc(CSC(C)(C)C(=O)O)[nH]c2cc1Br 586960537 VQJVEZHHXAABNT-UHFFFAOYSA-N 387.299 4.209 0 1 GIAF COc1ccc(OC)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587806957 KXJHNPBGCWDLKZ-NSPYISDASA-N 394.284 4.403 0 1 GIAF COc1cc(C)ccc1OCc1nc2cc(Br)c(F)c(F)c2[nH]1 587564174 MBOKFVBRIBJZIH-UHFFFAOYSA-N 383.192 4.500 0 1 GIAF CC[C@]1([C@H]2CCCCN2C(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587395170 KUGWBOPRZAHXEX-XMSQKQJNSA-N 388.508 4.481 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cnc1OC)CC2=O 587459934 QYGZJONALCXRGZ-MRXNPFEDSA-N 392.249 4.217 0 1 GIAF COc1cccc(OC)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590320 BSUFJDKTLZOULN-KNQAVFIVSA-N 378.380 4.112 0 1 GIAF O=C(O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355285 UFELTAKQKWFTRM-FYYLOGMGSA-N 392.382 4.260 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)nc2sccn12 587619349 RZJNRBNMCYJHNI-SUMWQHHRSA-N 398.827 4.458 0 1 GIAF CCOC(=O)c1ccc(CC[C@@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963634596 KUTLXZRHYBICMC-KXBFYZLASA-N 383.488 4.089 0 1 GIAF Cc1nc(Cc2cccc(C(F)(F)F)c2)sc1-c1ccc(C(N)=O)nc1 1772624991 LEEQPBKUBIMCLS-UHFFFAOYSA-N 377.391 4.222 0 1 GIAF O=C(Nc1ccccc1-c1nnn(-c2ccccc2)n1)c1cnc2ccccc2c1 1857646007 BNHSYHBXYHHEQQ-UHFFFAOYSA-N 392.422 4.130 0 1 GIAF CC[C@@](COC)(OC)c1cc(F)cc(OCc2ccc3c(ccc(=O)n3C)c2)c1 576666 XYOCJTXGNAJTKG-QHCPKHFHSA-N 399.462 4.155 0 1 GIAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 13547318 RUDATBOHQWOJDD-ASYSNUCISA-N 392.580 4.478 0 1 GIAF biogenic,in-vitro C[C@]12C=CC(=O)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 27632666 WVVRDXVBWQZBIM-PHSBTNDMSA-N 380.484 4.243 0 1 GIAF CCN(CC)c1nc(NCCc2ccccc2)nc2cc(OC)c(OC)cc12 29409759 YTUYUIXUYBAHFI-UHFFFAOYSA-N 380.492 4.148 0 1 GIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)O)CCC2)cn1 34717760 BBQCCIAXNMDNRO-UHFFFAOYSA-N 392.455 4.464 0 1 GIAF CN1CCN(c2ccc(Nc3c(CO)cnc4ccccc34)cc2)CC1(C)C 34801106 SASCGBIFSTWAKB-UHFFFAOYSA-N 376.504 4.001 0 1 GIAF COc1ccc([C@H]2CC(=O)N(C(=O)c3ccccc3)C2)cc1OC1CCCC1 34820559 OPUDYHKIBWHQGF-SFHVURJKSA-N 379.456 4.173 0 1 GIAF CN1C[C@H](C[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c2ccccc21 36310743 OHOJWIUYNABDSD-SIKLNZKXSA-N 395.506 4.493 0 1 GIAF O=S(=O)(N[C@H]1[C@H]2CC[C@@H]1Cc1cc(F)ccc1C2)c1ccc(Cl)s1 38140959 WXZPJLSSIKLDLT-JKDFXYPNSA-N 385.913 4.013 0 1 GIAF CSc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccc4nccnc4c3)C2)cc1 39445518 HUTIBRCGWIQROS-KRWDZBQOSA-N 391.496 4.087 0 1 GIAF Cn1c(-c2cc(-c3c(F)cccc3Cl)no2)cnc1C1(F)CCNCC1 40951805 BQFJTJDULYXNJI-UHFFFAOYSA-N 378.810 4.083 0 1 GIAF CCN(CC)CC(=O)N1C[C@@H](c2ccccc2)Oc2c(C)c(C)c(OC)c(C)c21 40956447 RWJBRBTVKREYLN-FQEVSTJZSA-N 396.531 4.429 0 1 GIAF CC(=O)Oc1cccc(-c2cc(C(=O)Nc3nc4c(s3)CCC4)c(C)o2)c1 72180986 ZKEQNMUGBWGGRN-UHFFFAOYSA-N 382.441 4.378 0 1 GIAF O=C(CNC(=O)c1csc(Nc2ccccc2)n1)OCCC1CCCCC1 82085007 SHQIEWTXUHFQFF-UHFFFAOYSA-N 387.505 4.130 0 1 GIAF CC[C@@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCC(C)C)ncnc21 82177899 OISUZXPHEZSLNW-OAHLLOKOSA-N 395.507 4.394 0 1 GIAF Cc1ccc(C2=Nc3nc4ccccn4c3C(=O)[C@H](Cc3ccccc3)N2)cc1 103245039 OIXGIXDEIFWVLM-IBGZPJMESA-N 380.451 4.118 0 1 GIAF Cc1ccnc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1 198797558 BRHDZARXWTXWMR-UHFFFAOYSA-N 381.332 4.216 0 1 GIAF Cc1cncc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccc(F)cc4)ncc23)c1 219759758 PKONVKYAXJNXJN-CYBMUJFWSA-N 390.422 4.350 0 1 GIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(C(N)=O)c2[nH]1 587033735 AGHYUIBZEVUQQX-HNNXBMFYSA-N 392.484 4.148 0 1 GIAF O=C(CSCc1nc2cccc(O)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587112873 FVCYRKWXNDRXQT-UHFFFAOYSA-N 381.379 4.159 0 1 GIAF Fc1cccc(Cn2nnc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)c2Cl)c1 587160491 CRWHFSCIYNPYJV-UHFFFAOYSA-N 397.628 4.364 0 1 GIAF COc1cc(-c2nc3ccc4c(c3[nH]2)CCCC4)ccc1OCC(=O)NC(C)C 587221330 WEGFTQGWVHJNOM-UHFFFAOYSA-N 393.487 4.021 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCC(=O)N(Cc3ccccc3)CC1)CC2=O 587475565 POWAYJJWKMILTJ-DEOSSOPVSA-N 393.483 4.261 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]1SCCS[C@H]12 587617849 LCXNGDCFKOLSDX-XAMWDVODSA-N 386.494 4.104 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3ccnc3)cc2)N1 587759211 ZPANVZQBBZDWAA-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cccn2)(C(C)(C)C)N1 587762710 ZSGUPLKZPFWGBJ-SGTLLEGYSA-N 380.305 4.261 0 1 GIAF CCn1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C2CC2)n1 587765809 UIGUFWVNGDHMTE-MGNBDDOMSA-N 378.289 4.306 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc([S@@](C)=O)cc2)N1 587841101 PKRKLDGIZVPHOJ-YUGUOILESA-N 396.325 4.123 0 1 GIAF O=S(=O)(O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587949580 HYVUNANDPUKZMU-UHFFFAOYSA-N 380.425 4.193 0 1 GIAF C[C@H]1C(=O)CC[C@H]1Cc1nc2c(Br)ccc(Br)c2[nH]1 587963616 PFJPJOQDSUBOCD-SFYZADRCSA-N 386.087 4.246 0 1 GIAF CCCn1c(-c2ccco2)nc2c(N)nc(NCCCc3ccccc3)nc21 653793824 DDNMQJSUCDRLIP-UHFFFAOYSA-N 376.464 4.123 0 1 GIAF O=C1Nc2ccccc2[C@]12ON=C(c1ccccc1)N2c1ccc(Cl)cc1 653851640 KGIXVILHLOWPED-NRFANRHFSA-N 375.815 4.344 0 1 GIAF CCOC(=O)CCC[C@]1(C2CC2)c2ccsc2CCN1Cc1cccn1C 962401127 VLFYTXXNPPBBPT-QFIPXVFZSA-N 386.561 4.484 0 1 GIAF Cc1cccc2c1[C@@H](C1=COCCC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841189 JCBMXZHPHYCWKE-YLJYHZDGSA-N 387.476 4.367 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(C(F)(F)F)ccc3C2)cc1 1772655636 VALNCIITGYWFLX-AWEZNQCLSA-N 376.422 4.461 0 1 GIAF NC(=O)/C=C/c1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)o1 1857752297 FYLOZOBGQQWQEU-VQHVLOKHSA-N 375.432 4.128 0 1 GIAF Fc1cccc(-c2cnc([C@H]3COCCN3Cc3cnc4ccccc4c3)[nH]2)c1 2356299197 BJWDAQGGNOGQRI-JOCHJYFZSA-N 388.446 4.338 0 1 GIAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@@](N)(CCO)C2 2356771465 YENLEYLOULYBJW-CORBCRPWSA-N 387.564 4.169 0 1 GIAF COc1ccc(Cn2c(N)c3cc(OC)c(OC)cc3nc2=S)cc1Cl 13571549 LHIDDVFXUUCONU-UHFFFAOYSA-N 391.880 4.075 0 3 GIAF COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccccc4)ccnc3O2)cc1OC 61903914 HZMMPRUELAHNQS-QHCPKHFHSA-N 390.439 4.098 0 3 GIAF COC(=O)c1cc(-c2ccc(OC)c(OC)c2)oc1-c1ccc(OC)c(OC)c1 1616647 JEVVESHNMLBXCN-UHFFFAOYSA-N 398.411 4.435 0 1 GIAF CCN(CC)C(=O)c1sc2ncnc(N3CCc4ccccc4C3)c2c1C 2931648 NUBMXOFFCNLWBA-UHFFFAOYSA-N 380.517 4.044 0 1 GIAF FC(F)(F)Oc1ccccc1-c1cccc(-n2nnc(-c3ccccn3)n2)c1 28387023 HXCPOFFWWVIHBV-UHFFFAOYSA-N 383.333 4.290 0 1 GIAF CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)OC(C)(C)CN2Cc2ccccc2)cc1 117786427 OQRKCADMEXTCPF-OAQYLSRUSA-N 394.515 4.345 0 1 GIAF Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2[C@H](C)CC[C@H]2C)cc1 35907418 SJGNWKLQQZVTKR-QZTJIDSGSA-N 391.515 4.336 0 1 GIAF CN(C(=O)COc1onc(C(F)(F)F)c1-c1ccccc1)c1ccccc1 34384949 OMFBQVXXTPKYTI-UHFFFAOYSA-N 376.334 4.402 0 1 GIAF O=C(NCC(F)(F)F)[C@@H]1CCCN1c1nc(-c2cc3ccccc3o2)cs1 82195584 NYAYQDYTTMYXLU-ZDUSSCGKSA-N 395.406 4.204 0 1 GIAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2ccc(F)cc2)C1 82140742 MOWYTHHCHPIFDB-IYBDPMFKSA-N 382.483 4.001 0 1 GIAF CC[C@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2cccnc2)nc2ccccc21 199240498 GAACVLRAJOGDSJ-LJQANCHMSA-N 381.439 4.334 0 3 GIAF Cc1ccc(Cc2cnc(-c3cccc(C(=O)N(C)C)c3)c(C)c2)c(C(=O)O)c1 96173359 DNTRKBGGIONASE-UHFFFAOYSA-N 388.467 4.356 0 1 GIAF Clc1cccc(N2CCN(CCN3CCC(Cc4ccccc4)CC3)CC2)c1 653740479 TYKQZGQTVAPYJI-UHFFFAOYSA-N 397.994 4.417 0 1 GIAF CCOC(=O)COc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587520493 DDEMRTVKHGIPIQ-NRFANRHFSA-N 380.440 4.214 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)nc2)N1 587764302 DGDOJDSNBOIJFZ-BLVKFPJESA-N 390.300 4.207 0 1 GIAF CC(C)=CC[C@@H]1C(=O)c2ccccc2[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1=O 587407295 ZONFRIOMDSMOKJ-GYCJOSAFSA-N 389.451 4.176 0 1 GIAF N=c1nc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c(Cl)[nH]1 587063706 SRBXSIOZJJGEBJ-UHFFFAOYSA-N 386.242 4.318 0 1 GIAF COc1cncc(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587776025 VQBDMMXKDKCBFX-ADLMAVQZSA-N 379.273 4.200 0 1 GIAF COc1ccc2c(c1)OC(C(F)(F)F)=C[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587384161 YFBKSZWEPWODJO-IBGZPJMESA-N 391.345 4.285 0 1 GIAF COC(=O)c1sccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587846599 UYVLSLTXQQXFML-CLAHSXSESA-N 384.270 4.060 0 1 GIAF CC(C)(C)[C@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582113 OBKBHXUEADGWEI-XMSQKQJNSA-N 378.428 4.035 0 1 GIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cccc(Br)c12 587497209 LQTBORKMJGMFCM-HXUWFJFHSA-N 398.256 4.141 0 1 GIAF OCC12CCC(c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)(CC1)CC2 586895332 FMPGNTOAXSZTOO-UHFFFAOYSA-N 375.341 4.196 0 1 GIAF Cc1cc(O[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)ccc1Cl 587651125 LEBQZCIUYMKYSS-LLVKDONJSA-N 377.227 4.119 0 1 GIAF COc1ccc(COC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587800704 HOSHWZHSQCPFOU-SJCJKPOMSA-N 394.284 4.389 0 1 GIAF CCCC[C@@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597523 QTGCWOBSFRFSFX-UGKGYDQZSA-N 384.428 4.236 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC[C@H]2CN(C(C)(C)C)C1 587775895 VHVRUDYVZUNNGL-QEJZJMRPSA-N 395.360 4.458 0 1 GIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 587787030 UDPJIUUSZBFCBQ-NWDGAFQWSA-N 389.224 4.408 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)NCCCc1ccccc1)CC2=O 587467545 ATIJNSQCMCTSFM-XMMPIXPASA-N 395.499 4.208 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc(Br)cc1Cl)O2 587371992 NQHHAKPBAFDNGH-MRXNPFEDSA-N 381.657 4.269 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(-c2ccccc2)nn1 587868956 YFHBKHCVKWISSE-UHFFFAOYSA-N 397.360 4.419 0 1 GIAF COC(=O)c1ccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2c1OC 587075630 KCQVZHCSKLMKQF-UHFFFAOYSA-N 396.834 4.173 0 1 GIAF c1ccc(C2SCCS2)c(OCc2nc3cc4c(cc3[nH]2)OCCO4)c1 587041362 NBHSIZODVRUQMU-UHFFFAOYSA-N 386.498 4.392 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2ccc3cc(C(F)(F)F)ccc3n2)N1 962916016 WMDACCMHVKVWBA-WMZOPIPTSA-N 390.336 4.081 0 1 GIAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@H]4CCCC2OCCO2)cc1 963832622 QWFCXDIWEUIMNF-QFIPXVFZSA-N 392.499 4.477 0 1 GIAF CCOC(=O)c1oc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2c1C 1772623974 JDHNJPQUONAZOQ-UHFFFAOYSA-N 393.848 4.372 0 1 GIAF O=c1ccoc2cc(OCCCN3CCN(c4ccc(Cl)cc4)CC3)ccc12 13860923 YMZORNUJLZYMNF-UHFFFAOYSA-N 398.890 4.038 0 1 GIAF CN1C(=O)C(Nc2cc(Cl)c(O)c(Cl)c2)=C(c2ccc(Cl)cc2)C1=O 14946048 WKXYCFKOVOUTSC-UHFFFAOYSA-N 397.645 4.174 0 1 GIAF C[C@H]1CCc2c(c(O)n(-c3cc(Cl)ccc3OC(=O)c3ccco3)c2O)C1 169688317 XATAERCBWFBHBO-NSHDSACASA-N 387.819 4.479 0 1 GIAF CC(C)n1nnnc1[C@]1(C)CCCCC(=O)N1Cc1cccc(C(F)(F)F)c1 203465530 HAUUAMSCSBKZAS-SFHVURJKSA-N 395.429 4.091 0 3 GIAF CCc1c(Nc2ccc(CC(N)=O)cc2)nnc(-c2ccccc2OC)c1CC 1857597238 WCUKFKOIEOQTBK-UHFFFAOYSA-N 390.487 4.048 0 1 GIAF C[C@@H]1c2nc(NC(=O)C3CCC3)sc2C[C@@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12 2356321179 UPLMDWYCLKZCGE-KGFXULCUSA-N 388.533 4.135 0 1 GIAF O=S(=O)(NCCC1=CCCCC1)c1ccc2[nH]c(-c3ccccc3)nc2c1 2467908 MLVJKASIBLSLJG-UHFFFAOYSA-N 381.501 4.399 0 1 GIAF N=C(N)c1cccc(-c2cccc([C@H](CCCNc3ccncc3)C(=O)O)c2)c1 3815585 FJEAIYBDDQAFGU-NRFANRHFSA-N 388.471 4.093 0 1 GIAF in-vitro Cc1cc(OCC(=O)Nc2ccccc2C(=O)O)c(Br)cc1Cl 28643983 QTUFVGGSHFLNKS-UHFFFAOYSA-N 398.640 4.127 0 1 GIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@@H]2[C@]1(C)CO 2356424284 MIINYRAQNGHRNA-NJKFVAIMSA-N 378.509 4.110 0 1 GIAF O=C(C[C@H]1C=NN2c3cc(Cl)ccc3[N+]([O-])=N[C@@H]12)Oc1ccccc1Cl 27635834 UMYWGMKUCZAQJO-DYZYQPBXSA-N 391.214 4.345 0 1 GIAF Cc1ccc(C(N)=O)cc1-c1nnc2ccc(Sc3ccc(F)cc3F)cn12 35997054 VCOGCFSBVKGNLF-UHFFFAOYSA-N 396.422 4.233 0 1 GIAF O=C(O)C[C@@H]1CCN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 140968528 BEAHZBHBRZMAIL-FKRCVWNDSA-N 375.512 4.420 0 1 GIAF CCN(CC)C(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1OC1CNC1 96175904 FZSPMGASYMAWCG-UHFFFAOYSA-N 392.421 4.205 0 1 GIAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4c(F)cccc43)cc21 143349566 NPLQPPGPENDWIE-QGZVFWFLSA-N 397.450 4.159 0 1 GIAF CCNC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 96310714 HXVNOSINGOXKMH-UHFFFAOYSA-N 388.515 4.043 0 1 GIAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)CC[C@H]32)C1 255193338 AGKUVCXEPCJNMJ-SIRMIWQNSA-N 376.537 4.138 0 1 GIAF Cc1nn(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c(=N)s1 653787362 GDLFPOYTVMMFST-UHFFFAOYSA-N 388.905 4.215 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccccc2c1=O 587612913 WMTIMAYJCSPXQH-CVDCTZTESA-N 386.359 4.202 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCCC3)s2)N1 587852117 DHUTYLPASKNCNA-HWPZZCPQSA-N 396.329 4.269 0 1 GIAF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587767468 AXSDIBNQGIDUJY-BBATYDOGSA-N 379.273 4.180 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(Cl)c(C)c4[nH]3)cc12 587037525 JRDUGAMAYXJJFN-SNVBAGLBSA-N 387.896 4.272 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCN1CCCCC1 587863340 GOCUABRWUVFVJP-UHFFFAOYSA-N 381.398 4.094 0 1 GIAF C[C@H](N=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574978 ZRBUSSFNTWCMLT-BANJIEJESA-N 375.380 4.404 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c4ccc(OC)cc14)[C@@H](C2)C3=O 587444913 XDIILPFZWVBGNK-MBSDFSHPSA-N 376.408 4.354 0 1 GIAF Brc1ccc(COc2ccccc2-c2nc3cnncc3[nH]2)cc1 586998009 GRRNTOAUDPRDIQ-UHFFFAOYSA-N 381.233 4.361 0 1 GIAF O=C(O)/C=C/c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601619 DZMQSDDLRFCOBH-TZZZPNCGSA-N 388.375 4.193 0 1 GIAF Cc1c(Br)ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 586913029 KOAHWQQOVHRXEV-UHFFFAOYSA-N 387.277 4.436 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Cn2cncn2)cc1 587863034 BGNPMCHJJPDOLU-UHFFFAOYSA-N 399.376 4.207 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(F)c(Br)cc31)O2 587384775 PAOQBINSHXIWHQ-GOSISDBHSA-N 376.225 4.286 0 1 GIAF Clc1c(-c2nc3cncc(Br)c3[nH]2)ccnc1Br 587005898 YOFWDCVIAAAUBN-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)c(F)cc1Br)[C@@H](C2)C3=O 587424739 UBQRLGXQKCAJCL-BTDLBPIBSA-N 381.172 4.225 0 1 GIAF CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587800914 HYEDVJWJLMUALL-MGNBDDOMSA-N 380.257 4.316 0 1 GIAF N=c1ncc(-c2cccc(-c3nc4cc(Br)c(F)cc4[nH]3)c2)c[nH]1 587255006 USDMBCFAHWTOQQ-UHFFFAOYSA-N 384.212 4.001 0 1 GIAF Cc1cnc(Cl)c2[nH]c(C[C@H]3Sc4ccc(Cl)cc4NC3=O)nc12 587043162 PQLFVDJIKBJOPY-LLVKDONJSA-N 379.272 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/C(=O)O)(c2ccccc2)N1 587820514 AGFSVCHPYPQMNQ-CNOUQFITSA-N 390.252 4.007 0 1 GIAF Brc1ccc(NCCc2nc3cc(Br)cnc3[nH]2)cc1 586996651 XHJZUMSBZKRRAN-UHFFFAOYSA-N 396.086 4.138 0 1 GIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC1(C3)CC(C(=O)O)C1 586991844 XGPXJDGZEHTUBS-UHFFFAOYSA-N 385.419 4.122 0 1 GIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4c(Br)cnc(Cl)c4[nH]1)(C3)C2 587968975 KCHOSIFUFRESJN-BTBJQWHKSA-N 380.673 4.021 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(C(=O)O)c2)N1 587729433 GUCNTKJASKVDAC-ZKANADHPSA-N 382.204 4.049 0 1 GIAF O=C1c2ccc(O)cc2O[C@@](CO)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 587327963 IUYGXEXURBGFEY-UNMCSNQZSA-N 398.817 4.431 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2cc(Cl)cc(Cl)c21 587463688 WTZZRFXAXZAKAK-LJQANCHMSA-N 392.238 4.464 0 1 GIAF CC(=O)N[C@H](Cc1nc2c(C)ccc(C)c2[nH]1)c1ccc(Br)cc1 586985007 KHPNKUJHZHKHDW-MRXNPFEDSA-N 386.293 4.362 0 1 GIAF COc1ccc2c(c1OC)[C@@](C)(c1cc(F)c(OC)c(F)c1)N(C)[C@H](C)C2 962620391 HHUNZCQRLQFGTJ-XUSGNXJCSA-N 377.431 4.131 0 1 GIAF COc1ccc(C[C@@H]2CCC[C@]3(C2)NC[C@@H]2CC(=O)N(C)c4cccc3c42)cc1 963036755 VIFDROJFNFMXDT-XHNVNVPESA-N 390.527 4.377 0 1 GIAF Cc1cccc2c1C1(CCSCC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963904520 RKZZXAOLGCVRCN-MRXNPFEDSA-N 391.533 4.354 0 1 GIAF Cc1c(C(=O)O)[nH]c2c1[C@@]1(CC(C)(C)C2)c2ccc(F)cc2C[C@@H]2CCCN21 963115306 VOKYNYXFFGESIN-QMHKHESXSA-N 382.479 4.397 0 1 GIAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@@H]3c3c[nH]c4cccnc34)C2)cc1 962647745 WJAQADHHBVVMMZ-NBGIEHNGSA-N 380.495 4.399 0 1 GIAF CCCCN1C(=O)[C@@H](C(C)=O)[C@]2(NCCc3c2sc(C)c3C)c2ccccc21 963007220 HERHHAHWWOYQGX-NFBKMPQASA-N 396.556 4.106 0 1 GIAF COc1nc(Cl)c([C@H]2c3ccsc3CCN2Cc2cccn2C)s1 962378842 UTZADEGJOOSASO-CQSZACIVSA-N 379.938 4.353 0 1 GIAF COc1cccc(C(=O)CCCCCN2CCN(c3ccccc3OC)CC2)c1 13493237 NJRDZHLWZRNXEX-UHFFFAOYSA-N 396.531 4.269 0 1 GIAF CCN(CC)C(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 13681943 VGGFHJKLCAAIOU-IGRUTLTCSA-N 385.548 4.094 0 1 GIAF CC1(C)Oc2ccc(C(F)(F)F)cc2[C@@H](NC(=O)Nc2ccccc2)[C@@H]1O 13741488 PZEQXDXOSXSQME-CVEARBPZSA-N 380.366 4.100 0 1 GIAF CC(=O)c1ccc(-c2c[nH]c3ncc(/C=C/C(=O)NCc4ccncc4)cc23)cc1 1857615086 UPVRUJKBGPVOPC-FARCUNLSSA-N 396.450 4.157 0 1 GIAF Cc1cc(Br)cc2c1N[C@@H](c1c[nH]nc1-c1ccccc1)NC2=O 1857630796 WTWMZUYQAZLDGC-QGZVFWFLSA-N 383.249 4.002 0 1 GIAF Cc1cc2c(O)nc(CNC(=S)SCc3ccc(F)cc3)nc2s1 1857749390 OIKRJIUNELEZII-UHFFFAOYSA-N 379.507 4.152 0 1 GIAF NC(=O)c1ccc(-c2cc(-c3ccc(C(=O)c4ccccc4)cc3)cnc2N)cc1 205110671 KPSKCPOWYXLIMZ-UHFFFAOYSA-N 393.446 4.328 0 1 GIAF COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(C(C)C)cc1 4049647 XFVUZASLEVJHSY-RBBKRZOGSA-N 380.488 4.055 0 1 GIAF CCc1c(C)c(C(=O)NN2CCCCC2)nn1-c1ccc(Cl)cc1Cl 13472871 ZLXNNXGRPXLRSC-UHFFFAOYSA-N 381.307 4.181 0 1 GIAF CN1CCN(CCCOc2ccc(-c3cc(-c4ccccc4)no3)cc2)CC1 28374560 MQEXODZBBPIOMB-UHFFFAOYSA-N 377.488 4.025 0 1 GIAF Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2ccccc2C(=O)O)c1F 28524257 DUZHOJGEINDSQU-UHFFFAOYSA-N 399.353 4.235 0 1 GIAF CCOCCOC(=O)c1c(C(C)C)nn(-c2ccc(Cl)cc2Cl)c1N 40846442 AIQMZITVFSABMC-UHFFFAOYSA-N 386.279 4.078 0 1 GIAF COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(C)cc2)CC1 40950365 PPXOTGGYVKBLCQ-UHFFFAOYSA-N 399.506 4.489 0 1 GIAF CC(C)c1nc2c(NCc3ccc(Cl)cc3)ncnc2n1C[C@H]1CCCO1 82185196 MUNVORVVUWSDEU-MRXNPFEDSA-N 385.899 4.394 0 1 GIAF Cc1cnc(N2C[C@@H](C)O[C@H](C)C2)nc1NCc1cccc(C(F)(F)F)c1 82204218 DYCCTOAZJOCMNS-ZIAGYGMSSA-N 380.414 4.030 0 1 GIAF C=CC(=O)Nc1ccc2ncnc(Nc3ccc(Br)cc3F)c2c1 103297381 NEHHIXKPXNXLJR-UHFFFAOYSA-N 387.212 4.400 0 1 GIAF CCN(CC)C(=O)[C@@H]1CCC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 169358564 GYORZCSFWWIIFC-IXGPGGTISA-N 388.596 4.382 0 1 GIAF CCC[C@@H](C)COc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 299862483 JRYLJLVWWQBUIH-DZWOVHDNSA-N 381.516 4.455 0 1 GIAF Nc1nccc2cc(N[C@H](C(=O)NCc3ccccc3)c3ccccc3)ccc12 473088700 JJJKCNGQRVGVDX-QFIPXVFZSA-N 382.467 4.287 0 1 GIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 586889936 OCRIAIAZFZGRGI-QLJPJBMISA-N 389.249 4.169 0 1 GIAF Cc1cc2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2cc1C 587001383 YMTPLFYIFPWHPG-UHFFFAOYSA-N 385.217 4.421 0 1 GIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c[nH]1 587061632 WPKXNTFKAFQQSJ-UHFFFAOYSA-N 375.741 4.170 0 1 GIAF Fc1ccc(-c2cn3c(Cc4nc5cnc(Cl)[nH]c-5n4)csc3n2)cc1 587166196 PEGJIOAHLRNERN-UHFFFAOYSA-N 384.827 4.064 0 1 GIAF COC(=O)c1cc2nc(-c3c(N)cccc3O)[nH]c2c(F)c1Nc1ccccc1 587249212 FIIRQNNORNEBPM-UHFFFAOYSA-N 392.390 4.187 0 1 GIAF COc1ccc2c(c1)C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352458 OLPVKQIFONPZIU-ISKFKSNPSA-N 390.410 4.436 0 1 GIAF COc1cccc(-c2cc(-c3cnc(O)n(C)c3=O)nc3c2oc2ccccc23)c1 587364006 VOQDHCPIDOLMIF-UHFFFAOYSA-N 399.406 4.123 0 1 GIAF COc1cccc(Br)c1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587378261 TVZUKPSTGCRUDW-GOSISDBHSA-N 376.250 4.229 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)nc1NC(=O)C(C)(C)C)O2 587380613 WSSIZCXYAWTDDW-OAHLLOKOSA-N 387.867 4.317 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)c(C(=O)OC)c1)CC2=O 587476280 AMSKLEJISZHATA-FQEVSTJZSA-N 384.428 4.237 0 1 GIAF COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O[C@@H](C)C(=O)O 587523087 NHWGVSBABXJETA-RBZFPXEDSA-N 396.439 4.132 0 1 GIAF O=C(O)/C=C\C1=COc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531669 KQBUFHITIFZYNZ-VVNKITKKSA-N 388.419 4.343 0 1 GIAF Cc1cnc(Cl)nc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551895 KXOURISQKQZJJI-FOIQADDNSA-N 382.803 4.021 0 1 GIAF Cn1cc([C@@H]2C[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2(C)C)cn1 587581773 MNIZEDBCUYAIBP-XKDCRVNJSA-N 390.439 4.040 0 1 GIAF CCOC(=O)C[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595203 JWUDWDSNGWCVEK-GCJKJVERSA-N 384.428 4.092 0 1 GIAF CCOC(=O)C[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587595209 JXWBQJQLLRNASG-UYGSHGSRSA-N 396.439 4.236 0 1 GIAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608031 KBNYLSVQWQCDBM-ADDUERHBSA-N 394.423 4.004 0 1 GIAF CCN(CC)c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611452 ITMHQJONSWJQPI-YLJYHZDGSA-N 396.468 4.398 0 1 GIAF CCOC(=O)C(=O)c1c(-c2ccccc2Br)[nH]c2cc(F)ccc12 587633037 WUNRNWAMWQJVKE-UHFFFAOYSA-N 390.208 4.482 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(C(=O)O)C3(C)C)N1 587825465 DSNYMPOKHZHACI-DDDFPZQPSA-N 396.300 4.229 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(C(=O)O)cc32)N1 587827108 NQJNDNONHFNECE-OVWNDWIMSA-N 390.252 4.010 0 1 GIAF Cc1ncc(-n2c(O)cc(-c3ccc(Cl)cc3)c2O)nc1Br 587940705 KFIGIPZFOUQMJZ-UHFFFAOYSA-N 380.629 4.070 0 1 GIAF COc1ccc2c(c1OC)[C@@H](c1cn(-c3cccc(F)c3)nc1C)N(C)[C@H](C)C2 962621557 HIZRKIFKGABOOW-JLCFBVMHSA-N 395.478 4.303 0 1 GIAF C[C@@H]1Cc2ccc(Cl)cc2[C@@]12N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962730166 MCXWALPNURFVSS-XTDINYQCSA-N 379.809 4.422 0 1 GIAF CCc1cccnc1[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963206924 ZRDSDQNMJVGTIK-UGSOOPFHSA-N 398.812 4.179 0 1 GIAF Cc1c(Br)cc2c(c1Br)O[C@@]1(CO)CC[C@@]2(C)[C@H]1C 2356472317 SIPAMAWKUWFTJM-TURNYIBQSA-N 390.115 4.331 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]12C 2356605027 OZHBCCBNHOZTLX-IEDTZBLSSA-N 390.564 4.398 0 1 GIAF CC(=O)CC[C@@H]1[C@@H]2[C@H](O)[C@H](C(C)C)[C@H](OC(=O)/C=C/c3ccccc3)C[C@]21C 253979346 MZRGOEIFXVZAOF-YHYHJZDLSA-N 384.516 4.270 0 3 GIAF COc1cccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccc(C)cc2)c1 1377641 ZWMBYDXJAOWXEA-FGZHOGPDSA-N 378.516 4.319 0 1 GIAF COCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4050047 OHTIECZQUVGPNK-GMAHTHKFSA-N 388.467 4.084 0 1 GIAF O=C(NCCOc1ccccc1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4051682 MVAQCLDSBHSQPH-PZJWPPBQSA-N 392.480 4.035 0 1 GIAF COc1ccc2nc(NC(=O)C3=C(C)C(=O)OC34CCCCCC4)sc2c1 6933250 HZJMKQWNBSLVRP-UHFFFAOYSA-N 386.473 4.210 0 1 GIAF O=C1Nc2ccccc2[C@@H]1CCCCN1CCN(c2ccc(Cl)cc2)CC1 29055372 JAOXKCOCADFHNG-FQEVSTJZSA-N 383.923 4.368 0 1 GIAF CN1CCc2c(c3ccc(-n4ccc(-c5ccc(F)cc5)cc4=O)cc3n2C)C1 64560154 PLNWLTBZTOTUTI-UHFFFAOYSA-N 387.458 4.123 0 1 GIAF CC(C)(C)NC(=O)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 27085920 QMFUKPSCWBVUJU-ZNIHFLCUSA-N 386.580 4.205 0 1 GIAF COc1cc(/C=C2\CCCn3c2nc2c(C)cc(C)cc2c3=O)cc(OC)c1O 28568299 JCIXRZAEVBMBOI-MHWRWJLKSA-N 392.455 4.071 0 1 GIAF CC1(C)O[C@@]2([C@@H]3C[C@H](CC4=CN[C@@H](N)C=C4)CC4(CCCC4)C3)CC[C@H]1[C@@H](N)C2 2356854513 RPPQUXFVGMMGJK-IRUCIBJBSA-N 399.623 4.356 0 1 GIAF COc1c2ccccc2nc2oc([C@](C)(O)COC(=O)c3ccccc3)cc12 3984806 DFKBKICQSPXAQG-JOCHJYFZSA-N 377.396 4.054 0 1 GIAF biogenic CC(C)CCN1CCC[C@@H]1C(=O)N1CC[C@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C 218971683 IJQQQMJZOAKLSF-QFZWGZQFSA-N 398.591 4.344 0 1 GIAF Clc1ccc([C@H]2NC(N3CCOCC3)=NC3=C2CCc2ccccc23)cc1 45253001 YWXSNWXXFNQBPP-HXUWFJFHSA-N 379.891 4.030 0 1 GIAF CC(C)CN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1 82141946 QXIBIAGUJSFAIL-UHFFFAOYSA-N 396.466 4.258 0 1 GIAF COc1ccc(Oc2nc(NCC3CCCCC3)nc(N3CC=CCC3)n2)cc1 82066800 YFIQAQVROULYBE-UHFFFAOYSA-N 395.507 4.431 0 1 GIAF COCCn1c(-c2ccccc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82187652 YNGBYANPLNNWBD-KRWDZBQOSA-N 387.487 4.355 0 1 GIAF S=C(Nc1ccc(Cl)cc1)N1CCN(c2nsc3ccccc23)CC1 143078991 MDRFEKSMEAOGOJ-UHFFFAOYSA-N 388.949 4.469 0 1 GIAF COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OC[C@@H]1CCCN(C)C1 95563702 VSZAJSFNWQEYEK-ZWKOTPCHSA-N 397.519 4.299 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ncc(F)cc23)N1 587735422 UKIKNQUFHJOXPK-VPTHRUTESA-N 378.220 4.227 0 1 GIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Br)cc(C)c3[nH]2)cc1 587938651 YCKKCJCFKJHWEO-DIFFPNOSSA-N 375.266 4.480 0 1 GIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccnc(Cl)c2[nH]1 587113126 OJFXSCBAJUOHQR-INIZCTEOSA-N 382.773 4.030 0 1 GIAF Fc1cc(Br)cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587039153 CQTUCRFELGKCFU-GJZGRUSLSA-N 392.297 4.411 0 1 GIAF COc1cc(OC)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587812546 ZZAYGRHKBDTLCB-WLRWDXFRSA-N 394.284 4.403 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587819576 BFTCQPQQBTXCEJ-CKNZNXRTSA-N 382.317 4.135 0 1 GIAF O=C(CSc1ccccc1)c1c(CO)oc2cc(Br)cnc12 587276753 UXCJLAYGXMSITR-UHFFFAOYSA-N 378.247 4.058 0 1 GIAF CC1(C)OC(=O)C[C@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586913387 YUFCGOOELYODHR-LURJTMIESA-N 393.159 4.033 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(-c3ccc(C)cc3OC)nc2c1 587924725 COGINVQXKTYFOE-UHFFFAOYSA-N 375.222 4.096 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2C(C)(C)C)N1 587765848 UOOZUUVGXFAWPL-QLJPJBMISA-N 380.305 4.243 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Br)nc2[nH]1)C(C)(C)C 587206088 VDTFIWZYUPMXOW-NSHDSACASA-N 397.317 4.202 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccc5c(c4)OCO5)cs1)[C@@H](C2)C3=O 587448673 AZFVTNNSSQDDTL-RNODOKPDSA-N 393.420 4.036 0 1 GIAF CC(=O)COc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587797832 XQCLWNWPUZRUOJ-JEOXALJRSA-N 392.268 4.180 0 1 GIAF Nc1ncnc2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c12 587055534 IPNXTESLJAWTME-UHFFFAOYSA-N 376.203 4.081 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(N(C)C)c2)N1 587755454 OKRYLXPEHKNYQE-HXPMCKFVSA-N 377.301 4.452 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C1CN(C(=O)OC(C)(C)C)C1 587863435 JVIDPIIUVOMQDQ-UHFFFAOYSA-N 397.397 4.369 0 1 GIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(F)cc(Br)c2[nH]1 587069321 IOVRLRCTAPFGLH-JTQLQIEISA-N 382.664 4.403 0 1 GIAF COCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587806569 KAHRHXVIIMGTBT-ADLMAVQZSA-N 380.257 4.195 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1sc(-c4ccncc4)nc1C)[C@@H](C2)C3=O 587450201 HYSUMHVLAXQBQL-YCRPNKLZSA-N 378.453 4.185 0 1 GIAF O=[S@](Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)CC1CC1 586959313 MWVGGOCPEVDRAS-NRFANRHFSA-N 381.217 4.003 0 1 GIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCC[C@H](C(F)F)CC2)N1 962965785 LRZXQECUTQTKDR-LNXATJJDSA-N 379.781 4.258 0 1 GIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@]2(c1cccnc1)c1ccc2c(c1)CCO2 963093431 BPWSXOYOFLWBCQ-RDGATRHJSA-N 386.470 4.468 0 1 GIAF O=C(O)COc1ccc(CCc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 13727511 SESWGSQSXSOYEB-UHFFFAOYSA-N 399.450 4.183 0 1 GIAF CCOC(=O)c1c(N2CCN(c3ccc(Cl)cc3)CC2)[nH]c2ccc(O)cc12 14978442 SISHLTPCWXCNEN-UHFFFAOYSA-N 399.878 4.030 0 1 GIAF CC1=N[C@]2(N=C1N)c1cc(Br)ccc1CC21CCC(F)(F)CC1 169708598 SXMJPJIGFLAOJZ-KRWDZBQOSA-N 382.252 4.185 0 1 GIAF Cc1cc(N2CCN(c3ccccn3)CC2)cc(C)c1NC(=O)CC(C)(C)C 207466478 DWESCKREEYJIJD-UHFFFAOYSA-N 380.536 4.400 0 1 GIAF COc1ccccc1-c1nnc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1 6737475 KVHSQLSQNGGQPC-UHFFFAOYSA-N 397.862 4.418 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)c4ccc[nH]4)[C@@H]3CC[C@H]12 26390280 ADCZPIWAYHWQLK-NHWJLCSOSA-N 380.532 4.453 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@@]4(C)[C@@H]3CC[C@]12C 26399204 ARCONGNMKCTCRP-FGXQUKBJSA-N 388.596 4.382 0 1 GIAF Cc1ccccc1-c1nc(COc2ccc(C[C@H](OC(C)C)C(=O)O)cc2)no1 26404843 LYKNWPZUOIVQJL-IBGZPJMESA-N 396.443 4.045 0 1 GIAF Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccccc1Cl)O3 34603792 LHVSRPGSPJXYNH-SFHVURJKSA-N 383.879 4.303 0 1 GIAF Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@H]2CCN(C3CCCC3)C2)cc1 40938797 WXHMKENPFHORLL-NRFANRHFSA-N 389.499 4.090 0 1 GIAF CCC[C@@H](Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@@H](CC)CN 96174986 UZUNZLBTOKJXFM-QFBILLFUSA-N 389.503 4.477 0 1 GIAF COc1ccc(CN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 101152102 CNDOHBNSSCZYEQ-WOJBJXKFSA-N 380.488 4.464 0 1 GIAF O=C1CC(=O)N(C2CCCC2)C(=O)N1CCC(c1ccccc1)c1ccccc1 101678047 BABHPHWGFSVHQU-UHFFFAOYSA-N 390.483 4.332 0 1 GIAF CC(C)C[C@@H](C)N1[C@H]2CCC[C@@H]1C[C@H](n1c(=O)c(C(=O)O)nc3ccccc31)C2 114765032 QEPASHISBZBMLE-BDXSIMOUSA-N 397.519 4.087 0 1 GIAF CCS(=O)(=O)N(CC(F)F)c1sc2ccccc2c1Br 115232895 PMZULTKZVXKGEM-UHFFFAOYSA-N 384.267 4.085 0 1 GIAF CC(C)Oc1ccc(F)cc1-c1cc(NC(=O)[C@@H]2CCCNC2)ncc1Cl 116180385 WUIYYLQXGFFWTL-CYBMUJFWSA-N 391.874 4.266 0 1 GIAF CCCCC[C@](C)(O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCOCC(=O)OCC 169321625 XQUMEOHUDVCAAM-NGOIRHLYSA-N 382.541 4.219 0 1 GIAF COc1ncccc1-c1cncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 205961757 LGJRSBKXZFLRSL-UHFFFAOYSA-N 389.333 4.303 0 1 GIAF Cc1ccn2c(C(=O)Nc3cc(-c4noc([C@@H]5C[C@H]5F)n4)ccc3C)cnc2c1 206121331 KIRYEJRGNGQAGY-HUUCEWRRSA-N 391.406 4.079 0 1 GIAF CC(C)(SCc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)C(=O)O 586959160 LRTVFTUZKPCPMO-UHFFFAOYSA-N 397.216 4.441 0 1 GIAF Cc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029748 TWGRDTKECWDZAY-UHFFFAOYSA-N 394.353 4.269 0 1 GIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(Br)nc2[nH]1 587109233 VUHSFSNCUIMVDQ-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF O=C1C[C@@H](c2nc3cccc(C(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F 587149178 MOKGDXJGQWOSTA-LLVKDONJSA-N 395.331 4.376 0 1 GIAF O=C(c1ccccc1)c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1 587170528 BYYIMTSMGJOMCN-UHFFFAOYSA-N 388.398 4.390 0 1 GIAF O=C1c2ccc(O)cc2O[C@](CO)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 587336511 YRFXZJYYLDXXBH-IFMALSPDSA-N 398.817 4.431 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc4ccccc4c1)[C@@H](C2)C3=O 587432412 LPZKYHVHGGARQJ-YADARESESA-N 387.435 4.383 0 1 GIAF CCCCC/C=C/c1nc2nc(O)nc(O)c2cc1Cc1ccc(O)c(OC)c1 587560003 SQCLNACIBBBGNU-BQYQJAHWSA-N 395.459 4.335 0 1 GIAF C[C@@]1(CC(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575473 BZQMHAPYUZGMCH-REWPJTCUSA-N 389.407 4.141 0 1 GIAF CCOc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1N 587577765 LOZCIPQJYGIPLE-NFBKMPQASA-N 391.423 4.250 0 1 GIAF O=C(c1cc2c(s1)CCC2)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662400 ZSGRDJLKGQVZIO-UHFFFAOYSA-N 390.439 4.441 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]ccc2Br)N1 587680736 QAZKHSZZLFWLGR-JKYUHCHBSA-N 388.078 4.302 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(C(=O)O)c2)N1 587713950 DOKYGYYJHTXHHV-ZKANADHPSA-N 382.204 4.049 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc(N)ccc32)N1 587744225 GKIKOBPZMPUZFE-NSPYISDASA-N 375.285 4.285 0 1 GIAF CC(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587746216 YZZYLVFMOACQSR-NSPYISDASA-N 391.284 4.344 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3cccn3)cc2)N1 587760652 PKVUOKCLDBADNP-BLVKFPJESA-N 386.268 4.398 0 1 GIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 587784476 HMEWGGPDRDMIGH-CHWSQXEVSA-N 389.224 4.408 0 1 GIAF Cc1nc2sccn2c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587853589 AMBIKBOZMLINES-RTHLEPHNSA-N 380.286 4.229 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1Cl 587866903 MFJVKIOVLKFZJG-UHFFFAOYSA-N 381.741 4.314 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc2ccccc2n1 587867193 ADIDTUWOENGMFZ-UHFFFAOYSA-N 398.344 4.209 0 1 GIAF COc1ccc([C@@H](C)[C@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653767415 LTAUJUJUDBORKL-YJYMSZOUSA-N 385.460 4.129 0 1 GIAF C[C@H]1Sc2nnc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2N=C1c1ccccc1 653834951 FZNDXSOXXZDUFL-GFCCVEGCSA-N 390.447 4.221 0 1 GIAF Cc1cc(C)n(C[C@@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)n1 961776941 ALZDOCJHXOKCGQ-HXUWFJFHSA-N 396.535 4.393 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2C2(CC(Cc3ccccc3)C2)N1 962627252 FGEHMNXLGOQAOJ-FXUPRZHBSA-N 391.389 4.032 0 1 GIAF COc1ccc2cc([C@]3(C(F)(F)F)NCCc4nc5ccccn5c43)ccc2c1 962986252 RLSDBWPAJINDBT-NRFANRHFSA-N 397.400 4.448 0 1 GIAF CN1C(=O)C(=O)c2c1ccc1c2[C@@H](CC(=O)Nc2ccccc2)Nc2ccccc2-1 1772580279 SMDSIKSPWGIMCP-GOSISDBHSA-N 397.434 4.008 0 1 GIAF O[C@H]1CC[C@H](Nc2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3c2)CC1 1772647127 YLDWTPXPDHTIAR-KOMQPUFPSA-N 376.382 4.131 0 1 GIAF O=C(Cn1c(=O)oc2cc(Br)ccc21)c1ccc2ccccc2c1 1857533684 CMIIWGPLCDRCEJ-UHFFFAOYSA-N 382.213 4.393 0 1 GIAF CC1=C[C@H](CNC(=O)C2CCC2)[C@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 2356287040 XFIPNSYECQWJTN-OTWHNJEPSA-N 380.536 4.271 0 1 GIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](OC(C)=O)c3c(C)coc3C(=O)[C@@H]12 2356559971 QJHPTOGFYPFVNS-KXMYPLQESA-N 388.460 4.319 0 1 GIAF COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCC1CC1 12479984 OXBUTTCLBQUQJW-DOTOQJQBSA-N 396.512 4.184 0 3 GIAF COc1ccc(Sc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1 3815912 OFXZKDLRVIQUDZ-UHFFFAOYSA-N 375.453 4.489 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCCOC 4214032 RPKBGPSGQIGOLI-LEWJYISDSA-N 390.524 4.252 0 1 GIAF C[C@H](NC(=O)c1sc2nc3c(cc2c1N)N1CCC3CC1)c1ccccc1 5127030 XTUWUQFQJRWCLR-LBPRGKRZSA-N 378.501 4.067 0 1 GIAF CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CN1CCCCC1 13533568 YKJROQMJGYIPRF-UHFFFAOYSA-N 378.513 4.070 0 1 GIAF COc1ccc(N2C(=O)[C@H](c3ccccc3)N(c3ccc(OC)cc3)C2=O)cc1 13680144 YHEDEADKZYYKCL-NRFANRHFSA-N 388.423 4.418 0 1 GIAF CCOC(=O)c1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1 13680209 SANNIOQAIFBYQZ-UHFFFAOYSA-N 391.427 4.481 0 1 GIAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1cc(C2CC2)nn1C 26662831 HTGIGKSVYFTOLQ-UHFFFAOYSA-N 376.482 4.087 0 1 GIAF O=C(O)c1cn2c3c(c(Cl)c(F)cc3c1=O)S[C@@H](c1ccccc1F)C2 27094320 REVMAKQVMSMFDI-CYBMUJFWSA-N 393.798 4.478 0 1 GIAF C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@]132 27625015 HZADOWFVVLRJEB-GQARFBIGSA-N 378.468 4.163 0 1 GIAF CCC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 28339048 KDMKBXGQNISDGL-UHFFFAOYSA-N 376.441 4.037 0 1 GIAF Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cc2)cc1 28710928 VXPBYVGXCVDFLZ-UHFFFAOYSA-N 380.391 4.270 0 1 GIAF O=c1oc2ccccc2n1CCCCCCN1CCN(C2CCCCC2)CC1 29134360 WPZCHALBHCESQX-UHFFFAOYSA-N 385.552 4.105 0 1 GIAF CCN(CC)c1nc(NCCc2ccccc2)c2cc(OC)c(OC)cc2n1 29414966 SUKCFXGQFSSTDR-UHFFFAOYSA-N 380.492 4.148 0 1 GIAF CCCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@@H]3N(C)CC2)OCO4 40877522 IHJTVXMRGWRAEH-KRWDZBQOSA-N 381.472 4.355 0 1 GIAF O=C(O)c1cn(Cc2cccc(C(F)(F)F)c2)c2c(F)ccc(F)c2c1=O 45348430 YGXHLEZPOUITQJ-UHFFFAOYSA-N 383.272 4.045 0 1 GIAF NC(=O)c1ccc2c(ccn2CC(=O)COc2ccccc2-c2ccccc2)c1 49052188 OZZWTFINLTVZPU-UHFFFAOYSA-N 384.435 4.055 0 1 GIAF CC1(C)C[C@@H](NC(=O)Nc2cccc3c2C[C@H](O)CC3)c2ccc(F)cc2O1 59262309 QICYXTGTQQCQCA-DNVCBOLYSA-N 384.451 4.099 0 1 GIAF C[C@@H](OCc1ccncc1)C(=O)N1CCC(c2ccc(Cl)cc2F)CC1 64559399 QJDIYMTUMQDQJB-CQSZACIVSA-N 376.859 4.185 0 1 GIAF COc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1C(=O)c1ccccc1 68153245 NWBVPSKGYRPFJM-UHFFFAOYSA-N 398.466 4.486 0 1 GIAF CC/C=C\C/C=C\C/C=C\CCCCCCCCOC[C@H]1NC[C@H](O)[C@@H]1O 73198911 ZSYXQSCJKNWQFD-ZTRVNPJZSA-N 379.585 4.286 0 1 GIAF Fc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3C[C@H]2CCCO2)cc1 82185541 BKMMIPUUCNXVGA-QGZVFWFLSA-N 393.422 4.017 0 1 GIAF Cc1oc(-c2ccccc2)nc1CNCc1ccc(OC(C)(C)C(=O)O)cc1 95558159 ODBHLJHZZFBZKV-UHFFFAOYSA-N 380.444 4.182 0 1 GIAF COc1ccc(NC(=O)Cc2cs/c(=N/c3ccc(SC)cc3)n2C)cc1 101452847 LYOJZCTWFTZPBF-LSDHQDQOSA-N 399.541 4.231 0 1 GIAF Cc1ccc(S(=O)(=O)NCCN2CCCCCCCCCCCC2=O)cc1 103206312 AOSIOHZURQYSNM-UHFFFAOYSA-N 394.581 4.017 0 1 GIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cc(CC(C)(C)C)on2)n1 142123336 GUVHVTMVOZAXPR-XJKSGUPXSA-N 387.484 4.208 0 1 GIAF CN1Cc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)cc2NC1=O 143439961 JWXOVVOBXOPFSN-QGZVFWFLSA-N 398.438 4.227 0 1 GIAF CN1C(=O)CCc2ccc(NC(=O)N[C@H]3CC(C)(C)Oc4ccc(F)cc43)cc21 143467988 SUMCHROIMMFTIR-KRWDZBQOSA-N 397.450 4.159 0 1 GIAF CSCCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148307514 TYDXMEYUUVIRLW-UHFFFAOYSA-N 394.500 4.495 0 1 GIAF C/C1=C/CC(C)(C)/C=C/C[C@@]2(C)Oc3cc(O)c(=O)cc(C)c3C[C@@H]2C[C@H]1O 169292482 REJAHZFROGUZPE-KBAOHHFSSA-N 384.516 4.444 0 1 GIAF Cc1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc(N(C)C)n1 224551424 JVXHDHDCWQKDMS-UHFFFAOYSA-N 394.454 4.089 0 1 GIAF CC(=O)O[C@H]1CC[C@H]2C(=O)c3occ(C)c3[C@@H](OC(=O)C(C)C)[C@]2(C)[C@H]1C 238730863 IJCGYKJLAZFDNU-MHZFIPTOSA-N 376.449 4.009 0 1 GIAF Cc1nc(N2C[C@H]3C[C@@H](c4ccccc4C(F)(F)F)C[C@H]3C2)ncc1C(=O)O 473094956 WWYOBWAZNBTSNL-ZSOGYDGISA-N 391.393 4.132 0 1 GIAF Oc1cccc(CCCCc2nc3ccc(I)cc3[nH]2)c1 586896250 MSNBWXQOIYCGBT-UHFFFAOYSA-N 392.240 4.439 0 1 GIAF CCOC(=O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 586988693 WMGOKQSJTVCDRG-UHFFFAOYSA-N 396.402 4.391 0 1 GIAF O=c1c(-c2nc3cc(F)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 587006705 QUPNMABDCSDZRT-UHFFFAOYSA-N 398.235 4.342 0 1 GIAF Cc1onc(-c2nc3cc(C(=O)O)ccc3[nH]2)c1COc1ccccc1Cl 587062953 DLLSBNGMWRMOAX-UHFFFAOYSA-N 383.791 4.457 0 1 GIAF COC(=O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2n1 587064690 MSJLXNXIYOZAOE-UHFFFAOYSA-N 383.791 4.237 0 1 GIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cc2N1 587127286 VJMFSPORWSVCBC-SVGQVSJJSA-N 391.184 4.436 0 1 GIAF C[C@@]1(c2nc3cc(Br)cc(F)c3[nH]2)C=C(c2ccccc2F)NO1 587153863 AWSUITADMSKCPZ-KRWDZBQOSA-N 392.203 4.395 0 1 GIAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccccc1S(=O)(=O)CC3 587209183 MSPFKCHCVFJMIV-UHFFFAOYSA-N 397.455 4.443 0 1 GIAF Cc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 587340161 SGDRCMAFYVSGJD-IFMALSPDSA-N 378.403 4.212 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(=O)Nc1ccccc1)(c1ccccc1)O2 587391139 SILCPTWXSPMIKH-XMMPIXPASA-N 386.451 4.467 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)Oc1ccc3c(c1)OCO3)CC2=O 587491712 PGGIOWBBVFECOQ-DMZKTXOQSA-N 384.428 4.265 0 1 GIAF O=C(O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587514866 PWNVOSXPPCDVNZ-UHFFFAOYSA-N 391.467 4.268 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c2c(c1)OCO2 587550427 AMSPWYGQVXTDPP-PXNSSMCTSA-N 396.782 4.477 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(O)ccc2ncccc12 587588032 RIUSIJBLZZUQIT-OFNKIYASSA-N 385.375 4.349 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587593934 GCJIMABVDDXUPG-IFMNFUMOSA-N 396.439 4.092 0 1 GIAF COc1ccc(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594558 OSEKOWZHOQNJGN-NFBKMPQASA-N 392.407 4.286 0 1 GIAF O=c1[nH]ccc2cc(-n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)ccc12 587660748 SNGBKWHJWNUMNN-UHFFFAOYSA-N 383.382 4.033 0 1 GIAF CC(=O)Nc1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587740692 FBJXEMNFPVBZIB-WLRWDXFRSA-N 391.284 4.344 0 1 GIAF COCCn1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587752883 UEXUOZKMGCYXRD-NSPYISDASA-N 395.316 4.277 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(c2ccccn2)N1 587772500 OCUCFZSVBBWZJJ-RNODOKPDSA-N 398.279 4.204 0 1 GIAF COc1ccc(C=O)c(-c2nc3c(F)c(F)c(Br)cc3[nH]2)c1OC 587785688 FKISDWBTORARGT-UHFFFAOYSA-N 397.175 4.100 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@@]2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587792725 CMLYUDAARVBYRY-IUUKEHGRSA-N 384.289 4.071 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587805065 GIKCDWBTOJCIQG-ZMZPIMSZSA-N 392.268 4.307 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587823719 VUBWUZOVDXWTPY-DQVHHCQUSA-N 382.317 4.135 0 1 GIAF Cc1cc(=O)oc2cc(OCC(=O)c3ccc(OC(F)(F)F)cc3)ccc12 653730151 ASKAXRKWJIWBSQ-UHFFFAOYSA-N 378.302 4.262 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@H](c2ccccc2-c2cccnc2)N1)C(F)(F)F 962763335 KDCVDZCFPABQAZ-WOJBJXKFSA-N 382.385 4.484 0 1 GIAF Cc1ccc2cc([C@@H]3NC[C@@H]4CC(=O)N(C)c5cccc3c54)c(Cl)nc2c1 963025087 JLJLIUZJRWMXCD-LHSJRXKWSA-N 377.875 4.339 0 1 GIAF CCOC(=O)c1c(C)ccnc1-c1ccc([C@@H]2NCCc3c(C)ccnc32)cc1 963073641 WXHMVICWSYPMAU-QFIPXVFZSA-N 387.483 4.172 0 1 GIAF Cc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc(C(F)(F)F)c1 963226357 LPWNZOVRGWOMMX-MOPGFXCFSA-N 386.373 4.250 0 1 GIAF CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@H]1c1ccoc1 1857565917 MDRQWSHSHLNIKV-AWEZNQCLSA-N 377.322 4.024 0 1 GIAF CC(=O)OC=CC(=COC(C)=O)[C@@H](C[C@@H]1C(C)=CCCC1(C)C)OC(C)=O 2356859208 SSBRJAXNTZJRDB-WOJBJXKFSA-N 378.465 4.215 0 1 GIAF CCS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1SCc1ccccc1 729700 JRPKYIYDDOJWRN-UHFFFAOYSA-N 393.921 4.089 0 3 GIAF CC1=C(C(=O)OC(C)C)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1C 4070113 OBGOVBQSNKGQTF-NRFANRHFSA-N 394.471 4.187 0 1 GIAF CC(C)(C)c1ccc(C(C)(C)C)c(C(=O)C[C@H](SCC(=O)O)C(=O)O)c1 28471308 QMWLWAUAUFJOFE-INIZCTEOSA-N 380.506 4.125 0 1 GIAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCNC(=O)Nc3ccc(C)cc3)ccc21 28565804 CYAXXSZDGPTFBI-PZJWPPBQSA-N 396.487 4.336 0 1 GIAF CC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)NCc1ccccc1 40394540 GLRYDTBWIQBLDX-UHFFFAOYSA-N 381.378 4.487 0 1 GIAF C/C(=C\C=C\[C@H]1[C@@H](C)C=C[C@H]2C[C@@H](C)[C@H](O)[C@@H](C)[C@@H]21)C(=O)NCc1cccnc1 95594443 JQPHOWVAGGEOKI-VXBYPBBWSA-N 394.559 4.292 0 1 GIAF COc1cccc(-c2cc(Nc3c(N[C@H](C)c4ccccc4)c(=O)c3=O)ccn2)c1 100081689 NQDNWDAHTHBILR-OAHLLOKOSA-N 399.450 4.270 0 1 GIAF COC(=O)[C@@H]1[C@@H](OC(c2ccc(C)cc2)c2ccc(C)cc2)C[C@H]2CC[C@H]1N2C 100761057 BRDDKFGREBLJEO-LUKWVAJMSA-N 393.527 4.434 0 1 GIAF CN(C)c1ccc(-c2nnc(-c3ccc([125I])cc3)o2)cc1 101981843 DQBPGZXXICPELN-QZIRHQCUSA-N 389.213 4.074 0 1 GIAF O=C(c1cc(-c2cn[nH]c2)nc2cc(F)ccc12)N1C[C@@H]2C[C@H]3C[C@H]1C[C@H](C3)C2 101982383 IXRIGADJMCWZOA-OUPMTCJGSA-N 390.462 4.415 0 1 GIAF Oc1cc(CSc2cccc(F)c2F)nc2nc(CCc3ccccc3)nn12 103224604 YJGJWCLBACCLCP-UHFFFAOYSA-N 398.438 4.186 0 1 GIAF CC1=NC(C)=C(C(=O)OCCSc2ccccc2)[C@@H](C)[C@H]1C(=O)OC(C)C 169712622 NYLPNIUHBUYLDD-AUUYWEPGSA-N 389.517 4.274 0 1 GIAF Nc1cnc(Sc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)nc1 224824908 NMCFCYKWKKPJMU-UHFFFAOYSA-N 390.447 4.055 0 1 GIAF CN(Cc1nc2cccc(C(C)(C)C)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586929067 QPUICCLLACMPFC-UHFFFAOYSA-N 391.924 4.335 0 1 GIAF CC(=O)N[C@H](Cc1nc2cc(C)c(C)cc2[nH]1)c1ccc(Br)cc1 586984180 CMNNVCULLASDSM-MRXNPFEDSA-N 386.293 4.362 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(Cl)nc2[nH]1 587001738 HISFZKAPHHQXJE-NSHDSACASA-N 390.672 4.098 0 1 GIAF O=C(CCc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccc(F)cc1 587161758 CLQVYSKWBKSINW-UHFFFAOYSA-N 382.620 4.328 0 1 GIAF COc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cc1OC 587242410 VAKWQXGCIGEQON-UHFFFAOYSA-N 385.420 4.300 0 1 GIAF COc1ccc(OCc2ccccn2)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587394652 XZHWXGZGGFVWGX-JOCHJYFZSA-N 390.439 4.266 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(Br)cccc1N(C)C)[C@@H](C2)C3=O 587413391 NWKPFQSMNMEUNM-BUXKBTBVSA-N 388.261 4.012 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(OC)cc1C)CC2=O 587479064 MDWXHGMUTASSSV-QHCPKHFHSA-N 398.455 4.387 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-n2ccnc2)N1 587755724 QHKWKGVERZBMFT-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3cn(C)nc3c2)N1 587759512 LLKVTUPONAFZGX-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF CCCCOC(=O)CC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792350 KJKZDRHCYTVFIH-SGTLLEGYSA-N 386.305 4.461 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@@H]2CCCCC23OCCO3)N1 587840215 WUMQCNNZZRYIHE-IAISJRAMSA-N 398.316 4.487 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2csc(C(=O)O)c2)N1 587844957 CSMDVULWJDOQOF-PWJLMRLQSA-N 384.270 4.146 0 1 GIAF COC(=O)c1ccsc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587848077 ZLGPRRYQCWUXMU-XLKFXECMSA-N 384.270 4.060 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc2cc[nH]c12 587869678 MOXLJAYPKVGITN-UHFFFAOYSA-N 386.333 4.142 0 1 GIAF CCOc1ccc(OCC)n1C[C@H](c1cccc(Br)c1)N(C)C 587940176 NGERKLXKKPIWSN-MRXNPFEDSA-N 381.314 4.351 0 1 GIAF COCCCN1CCc2ccc(OC)cc2[C@@]1(c1ccccc1)C(F)(F)F 961329319 YOUJHDPJOMXRNU-FQEVSTJZSA-N 379.422 4.396 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1c(C)nc2scc(C3CC3)n12 963579917 JVWNFAAULZLWND-WYRIXSBYSA-N 383.517 4.222 0 1 GIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3cc(OCCCF)ccc3C2)cc1 1772585240 NZPOOMMHJGLAJY-QGZVFWFLSA-N 384.495 4.180 0 1 GIAF COc1cc(C)cc(OC)c1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772593847 LZXIHXXTLJVZAZ-MRXNPFEDSA-N 385.391 4.413 0 1 GIAF N[C@@H](c1csc(Nc2cc(NCc3ccco3)ncn2)n1)C1CCCCC1 1857587210 HTBNSOJDKQHPOF-GOSISDBHSA-N 384.509 4.462 0 1 GIAF O=C(O)c1csc(N2N=C(c3ccccc3)[C@@H]3CC[C@H](C(F)(F)F)C[C@H]32)n1 1857638668 KUPZVJVBTUDADT-OUCADQQQSA-N 395.406 4.413 0 1 GIAF CC=Cc1cc(OC)c(O[C@@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 2356339616 QZBRVSFQZQNRIB-QKKBWIMNSA-N 388.460 4.255 0 1 GIAF CC(=C[C@H](O)CC(C)=CCCc1ccoc1)CC[C@H](O)[C@]1(C)CCC(=O)O1 2356401064 RUOCTYFLHGRTMP-URVUXULASA-N 376.493 4.093 0 1 GIAF CC1(C)OC[C@]2(C[C@@]34C[C@H]2CC[C@@H]3[C@]2(C)CCCC(C)(C)[C@H]2C(=O)[C@@H]4O)O1 2356655547 GPDYNSLXYAITQJ-LWNNEFDJSA-N 376.537 4.091 0 1 GIAF CCCCN(C(=O)CC)[C@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356856728 SDBOGMFKXIETMD-QFIPXVFZSA-N 382.504 4.091 0 1 GIAF COCCCNC(=O)CSc1c2c(nc3ccc(Cl)cc13)CCCC2 4923816 GUQKTNXMYXOIIZ-UHFFFAOYSA-N 378.925 4.012 0 3 GIAF aggregator CCOC(=O)C1(C[C@H]2CCCCO2)CCN(Cc2nc(C(C)C)cs2)CC1 59322777 YDJKTZAECXTOEA-QGZVFWFLSA-N 394.581 4.371 0 3 GIAF CN(CCc1ccccc1)[C@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C 95569928 MGILAJBCGGZHBW-OAQYLSRUSA-N 389.503 4.438 0 3 GIAF CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl 4211863 PXDRRCXMPKPSJV-DOTOQJQBSA-N 381.234 4.313 0 1 GIAF CCCCN(C)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1c[nH]c2ccccc12 6819376 JWMXCRRJJAIFDN-FGZHOGPDSA-N 389.499 4.337 0 1 GIAF COc1cc2c(Nc3ccc(C)cc3F)ncnc2cc1OCC1CCNCC1 13472794 QAWSAMDJZZDGDW-UHFFFAOYSA-N 396.466 4.208 0 1 GIAF COCc1cc(CCCOc2c(C)cc(-c3noc(C4CC4)n3)cc2C)on1 28768200 BXEXYKIVTLCFJN-UHFFFAOYSA-N 383.448 4.377 0 1 GIAF CCc1ccc(/N=c2\scc(CC(=O)Nc3ccc(OC)cc3)n2C)cc1 29125249 JZQJHXQLMXMYDG-LNVKXUELSA-N 381.501 4.071 0 1 GIAF Cc1ccccc1[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)NC(C)C)CC1 40896134 SMAJIXOOJCUMFD-OAQYLSRUSA-N 385.939 4.473 0 1 GIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1Cl 58603982 FDLCIYZIINMSOA-QGZVFWFLSA-N 395.858 4.229 0 1 GIAF O=C(Nc1nnc(-c2ccco2)o1)c1cc(N2CCCCC2)nc2ccccc12 66111630 SQKUEYLKPDECON-UHFFFAOYSA-N 389.415 4.120 0 1 GIAF CC(=O)N(C)[C@H]1C=C2C=C[C@@H]3[C@H](CC[C@]45C(=O)O[C@@H](C)[C@H]4CC[C@@H]35)[C@@]2(C)CC1 72108165 CLPGEJYIOBNCEC-YIIRXIKKSA-N 383.532 4.114 0 1 GIAF C[C@]1([C@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(Cl)cc2)C1=O 72178064 RMLMOCIFGRMCJA-RHSMWYFYSA-N 382.268 4.134 0 1 GIAF COc1cc(-c2nc(CN[C@H](C)CCc3ccccc3)co2)cc(OC)c1OC 72184568 UAJKZYNLBYJZHI-MRXNPFEDSA-N 396.487 4.478 0 1 GIAF CC(C)Cc1nc2c(NCc3cccs3)ncnc2n1CCc1ccccn1 82178203 AXTAMIKHHPMLKI-UHFFFAOYSA-N 392.532 4.336 0 1 GIAF Cn1c(SCC(=O)Nc2cccc(Cl)c2)nc2c3ccccc3nc-2c1O 100703958 WXTYKBLHDHNJEP-UHFFFAOYSA-N 398.875 4.163 0 1 GIAF CCOP(=O)(OCC)[C@H](Nc1ccccc1O)c1ccc2c(c1)OCO2 103246201 APYSGRJHPGNLHI-SFHVURJKSA-N 379.349 4.498 0 1 GIAF COc1ccc(Nc2nc(-c3ccc4[nH]cnc4c3)cn3ccnc23)cc1OC 147627824 JONYLZGYUFMCHI-UHFFFAOYSA-N 386.415 4.033 0 1 GIAF C[C@@]1(c2cccc(NC(=O)c3nc4ccccc4s3)c2)CCSC(N)=N1 169686990 WSRYGTGZJYNWCR-IBGZPJMESA-N 382.514 4.215 0 1 GIAF CN1C(=O)CCc2cc(-c3cncc(COc4ccc(Cl)cn4)c3)c(F)cc21 220995586 ZKPPGDGMLSSJDF-UHFFFAOYSA-N 397.837 4.424 0 1 GIAF O=C(O)C[C@H](NC(=O)c1cncc(Cl)c1)c1ccc(-c2ccccc2)cc1 261173935 UJFIVDUBIZAVEY-IBGZPJMESA-N 380.831 4.348 0 1 GIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccccc3[nH]2)C[C@H]2CCCC[C@@H]21 586957448 ASQPNFBGXWVMFA-XPGWFJOJSA-N 381.501 4.257 0 1 GIAF Clc1cnc2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1Cl 587085355 UNQMODSGWNCMDW-UHFFFAOYSA-N 383.670 4.092 0 1 GIAF Cc1ccc(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)cc1C(F)(F)F 587095127 ATPHLWGIEGVDLY-UHFFFAOYSA-N 377.410 4.421 0 1 GIAF Cc1cccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c12 587238405 DBIDSGARVVAIDA-AOSWFRPUSA-N 385.508 4.426 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COCC(F)(F)F 587382010 MJYUMDXIQOFBPQ-SFHVURJKSA-N 395.377 4.371 0 1 GIAF COc1cc2c3c(c1)O[C@H](CCc1ccc(F)c(OC(F)F)c1)[C@@H](C2)C3=O 587420796 HJGDUZBETUHICJ-UKRRQHHQSA-N 378.346 4.185 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(Cl)nn4)cc1)[C@@H](C2)C3=O 587421159 NZUSSJMINXTBFU-BTYIYWSLSA-N 378.815 4.294 0 1 GIAF COc1cc2c3c(c1)O[C@]1(/C(=C\c4ccccc4)Oc4cc(O)ccc41)[C@@H](C2)C3=O 587454750 WYQMTTQWQLGTOO-GNYCGVOHSA-N 398.414 4.477 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccc(C(=O)OC)cc13)CC2=O 587482847 KTXAFTFOUPOMOE-HXUWFJFHSA-N 379.412 4.319 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ncon2)c1 587592971 ZSDBJOFYMWDFLA-RXVVDRJESA-N 386.363 4.145 0 1 GIAF COc1cc(F)cc(F)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587723324 WYJCMEKOTRWOIW-CQLKUDPESA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc(-c3ccccc3)no2)N1 587793199 KGNSPUHBPGERAN-QLJPJBMISA-N 388.240 4.262 0 1 GIAF Cc1ccc([C@]2(C3CCCC3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1C 963548881 HUOAPQFTHDSIQR-URXFXBBRSA-N 379.500 4.350 0 1 GIAF CC1=C(C(=O)O[C@@H](C)C(F)(F)F)[C@H](c2ccco2)N2C(=N1)Nc1ccccc12 1857535091 WEBDASJNSDOZKP-ZBEGNZNMSA-N 391.349 4.390 0 1 GIAF CC(C)OC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@@H]1c1ccco1 1857557361 YOQKIUHNWJYGSF-OAHLLOKOSA-N 391.349 4.412 0 1 GIAF COc1cc(C(=O)c2cnn(-c3ccc(C(C)C)cc3)c2)cc(OC)c1OC 1857774665 ZKMYBLIAHJCTKO-UHFFFAOYSA-N 380.444 4.253 0 1 GIAF CCCCC[C@H](O)C=C[C@H]1[C@H](CCCCCCCCC(=O)O)C(=O)C[C@H]1O 2356387550 YMDDELUTDBQEMT-VNYTWHDVSA-N 382.541 4.255 0 1 GIAF O=C(C[C@@H]1C=NN2c3cc(Cl)ccc3[N+]([O-])=N[C@@H]12)Oc1ccccc1Cl 27635845 UMYWGMKUCZAQJO-BMLIUANNSA-N 391.214 4.345 0 1 GIAF OCCN1CCN([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 28009376 KZIRWQDAAMOPNE-RXVVDRJESA-N 391.342 4.180 0 1 GIAF CC(C)[C@H](C)Nc1cc(-c2[nH]c([S@@](C)=O)nc2-c2ccc(F)cc2)ccn1 71296203 ZBJPQFVITVEFPP-CEXHIMGSSA-N 386.496 4.472 0 1 GIAF CCCCCN1C(=O)[C@@]2(CCC(=O)c3cc4c(cc32)OCO4)c2ccccc21 71334042 LJJMIJUUHNZIGS-QHCPKHFHSA-N 377.440 4.215 0 1 GIAF CC(C)[C@H](C(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccccc1 84670371 HEVYJRZHYSRHDM-QPXUXIHVSA-N 376.544 4.453 0 1 GIAF Cc1ccc2oc(=O)cc(COc3cccc(I)c3)c2c1 103264197 MGWTVDHJVMRGBK-UHFFFAOYSA-N 392.192 4.285 0 1 GIAF CCOc1cc2nnnc(Nc3ccc(Br)c(F)c3)c2cc1OC 103295861 OTRWQLZSOOLZCP-UHFFFAOYSA-N 393.216 4.077 0 1 GIAF CCOc1cc(CN2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1 169341345 KHRXLFCIKMNQAU-UHFFFAOYSA-N 379.859 4.289 0 1 GIAF CCCCCN1CCC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1 201955971 AUMPRTPXAKYVDQ-NFBKMPQASA-N 390.616 4.165 0 1 GIAF CCCCOc1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)O)cc1 299806913 HGBMFQJSXPXALW-ZJOUEHCJSA-N 389.536 4.440 0 1 GIAF CC(C)NC(=O)CCC[C@H]1CC(=O)c2cc(Cl)cc(Br)c2O1 299836577 NPVKWBIJVJFUMT-NSHDSACASA-N 388.689 4.131 0 1 GIAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C(N)=O)cccc2[nH]1 586981552 QKUSOWICMBCAPA-UHFFFAOYSA-N 395.260 4.190 0 1 GIAF CCO/C=C(\C(=O)OCC)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992697 SDNJUWGVYZLOHL-VBKFSLOCSA-N 389.407 4.092 0 1 GIAF CCOC(=O)Cc1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587080837 SZOMRTLIAMMXHE-MRXNPFEDSA-N 396.878 4.046 0 1 GIAF Cc1noc([C@@H]2CCC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)n1 587347092 OGFXWTICTBTDGS-JLMWRMLUSA-N 394.402 4.288 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCc1ccccc1)(C(=O)OCC)CC2=O 587481343 LGBXECONMYJOFT-QHCPKHFHSA-N 382.456 4.245 0 1 GIAF COc1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587546651 JUASDJKVYFLWBL-UWJYYQICSA-N 398.798 4.463 0 1 GIAF Cn1ccnc1[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587577672 OIVFOEUXZKYSKC-ZOUOIUENSA-N 390.439 4.184 0 1 GIAF CCOc1ccc(-c2nn(C(=O)[C@H]3C[C@H]3C)c(=O)c3ccccc23)cc1OCC 587668816 FPEVLFIDCJRFJY-KDOFPFPSSA-N 392.455 4.157 0 1 GIAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1F 587721980 XHQRRMYLUGQWQJ-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccn2-c2ccccc2)N1 587753820 JURIYJJXMOCOOR-XIKOKIGWSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N(C)C)c2)N1 587755072 LSTPXQKJRCLULU-BLVKFPJESA-N 377.301 4.452 0 1 GIAF CCc1oc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)OC 587830822 UXMLIQFOLMMRQI-XLFHBGCDSA-N 396.256 4.154 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H]2CCOC2)N1 587836708 XLQJYABXIIHGMV-JOTOCRJQSA-N 390.296 4.403 0 1 GIAF Cc1nc2sccn2c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587855483 JETYHOQGXCXBGG-HUTHGQBESA-N 394.313 4.404 0 1 GIAF COc1ccc(Cc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1OC 587926944 MGTZIZMUEVQFSC-UHFFFAOYSA-N 383.192 4.212 0 1 GIAF Nc1ccc(-c2cc(O)n(CC3CCN(Cc4ccc(F)cc4)CC3)c2O)cc1 587946706 MLVKPCNSEPRVBI-UHFFFAOYSA-N 395.478 4.200 0 1 GIAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587960780 BPKLOZFXJXFDNO-SFYZADRCSA-N 391.187 4.382 0 1 GIAF CC(C)n1c(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc2ccccc21 653693402 AEIZYQAAEIHWFN-GOSISDBHSA-N 395.484 4.090 0 1 GIAF COc1ncc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1F 962638283 KWRKPNRZDBYJAS-REWPJTCUSA-N 389.474 4.066 0 1 GIAF C[C@@]1(c2cc(CN3CCOCC3)cs2)c2c(F)cccc2C[C@@H]2CCCN21 963099708 IOUDAZPUYVREOP-PGRDOPGGSA-N 386.536 4.003 0 1 GIAF CN(C)CC1CCN([C@@H]2CCC[C@]3(C2)c2c(F)cccc2C[C@H]2CCCN23)CC1 963108548 PDBLASRIIKTPSF-RQTOMXEWSA-N 399.598 4.258 0 1 GIAF COc1ccc2c(c1OC)[C@H](c1cccc3cc(C)[nH]c13)NCC21CCOCC1 963188480 JSFOSYSNCBYZKC-QFIPXVFZSA-N 392.499 4.234 0 1 GIAF C[C@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12NCCc1cc(Cl)ccc12 963391423 SVLSUKUNELBMMB-KSFYIVLOSA-N 384.907 4.360 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1ccc(Br)s1 963611959 RGJRVOJUHILBON-QGHHPUGFSA-N 382.323 4.326 0 1 GIAF CCCN(CC)c1nc2c(Cn3nc(C(=O)O)cc3C)cc(Cl)cc2s1 1772632016 VQXPXACZYQCFGL-UHFFFAOYSA-N 392.912 4.437 0 1 GIAF NC(=O)c1cccc(-c2cn3c(-c4cccc(OC(F)(F)F)c4)cnc3cn2)c1 1857596202 VPUOELAUNCLACX-UHFFFAOYSA-N 398.344 4.061 0 1 GIAF CC(C)[C@]12C[C@H](O)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)C=Cc1ccccc1 2356402956 VWHNJBKOOIZSEF-AZRCUYQBSA-N 384.516 4.222 0 1 GIAF CC(C)[C@@H]1C[C@H](O)[C@]2(C)CCC[C@](C)(O)[C@@H]2[C@@H]1OC(=O)C=Cc1ccccc1 2356485877 WIIMMGRJVZSVRB-VNJSKBGOSA-N 386.532 4.206 0 1 GIAF COc1cc(O)c2c(c1)C=CCC[C@@H]1OC(C)(C)O[C@@H]1CCC[C@H](C)OC2=O 2356551142 SDVPEAWQLMSJHY-ZOCIIQOWSA-N 390.476 4.444 0 1 GIAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)NC4=O)[C@@]3(C)[C@@H](O)C[C@@H]12 2356847114 OTTQUFPARHXAJM-UEJQPEDUSA-N 399.575 4.369 0 1 GIAF C[C@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CCN1CCc1ccccc1 61907752 PWFIUGDTPHAWIW-HXUWFJFHSA-N 376.422 4.029 0 3 GIAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 4051950 MTTCAPAGMMZOBV-IRLDBZIGSA-N 394.515 4.037 0 1 GIAF COc1ccc(CCNC(=O)c2cc3cc4ccc(C)cc4nc3o2)cc1OC 4906198 LRERUTSDAGFGGO-UHFFFAOYSA-N 390.439 4.279 0 1 GIAF CC[C@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F 14967380 UAYIYIYEAZMBLP-QMMMGPOBSA-N 380.288 4.087 0 1 GIAF CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCSC2 28707908 YKRLVMAJAJTVBP-UHFFFAOYSA-N 380.560 4.333 0 1 GIAF COc1cc(-c2coc3cc(O)cc(O)c3c2=O)c(OC)cc1OCC=C(C)C 28971236 VFNNZAGIIRJDBX-UHFFFAOYSA-N 398.411 4.233 0 1 GIAF biogenic O=C(Nc1ccc(Oc2ccccc2)nc1)c1nnc(Nc2ccccc2F)o1 35983442 XNEUGZQHCJEQLZ-UHFFFAOYSA-N 391.362 4.392 0 1 GIAF CN(C)c1ccc(-c2nc(-c3ccc(I)cc3)no2)cc1 40836589 PIKNISDORYTRSV-UHFFFAOYSA-N 391.212 4.074 0 1 GIAF Cc1ccc(CNc2ncnc3c2nc(C(C)C)n3CCN2CCCCC2)cc1 82179348 VTCATHOSOBTYNV-UHFFFAOYSA-N 392.551 4.356 0 1 GIAF CC(C)c1nc2c(NCc3cccc(Cl)c3)ncnc2n1C[C@@H]1CCCO1 82181342 OHNJKKSCPZDGGL-INIZCTEOSA-N 385.899 4.394 0 1 GIAF Cc1noc(/C=C/c2ccccc2)c1N1CN=C2Oc3ccccc3C=C2C1=O 84670420 DPRGMGQIGYPLQP-VAWYXSNFSA-N 383.407 4.332 0 1 GIAF COC(=O)C1=C(Nc2ccccc2)C(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 84713193 ZDMGSPYFINIUIL-JOCHJYFZSA-N 390.483 4.442 0 1 GIAF Fc1ccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)c(F)c1 95575605 QKOSTPBGHCXBGB-UHFFFAOYSA-N 381.411 4.295 0 1 GIAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1ccc(Cl)c(Cl)c1)O3 96269846 MSIHAESWQHANGO-QGHHPUGFSA-N 381.211 4.457 0 1 GIAF CCS(=O)(=O)N(Cc1ccc(F)c(OC)c1)c1cc2ccccc2s1 115231902 TVSRVHYXEAHQLQ-UHFFFAOYSA-N 379.478 4.405 0 1 GIAF O=c1[nH]c2ccccc2n([C@@H]2C[C@@H]3CCC[C@H](C2)N3C2CCCCCCC2)c1=O 115714621 QVJLNGKSPRALSV-PMOLBWCYSA-N 395.547 4.361 0 1 GIAF CC(=O)C1=NN(c2cc(C)ccc2F)C[C@]1(CCCN(C)C)c1ccccc1 136471171 FTEPMVFWUZEGMB-HSZRJFAPSA-N 381.495 4.179 0 1 GIAF CCN(C(=O)c1cc(COc2cccc(C(C)=O)c2)on1)[C@@H](C)c1ccccn1 169304796 QYHCUXUKPBKCJX-HNNXBMFYSA-N 393.443 4.075 0 1 GIAF O=C1c2cc(-c3ccc(C(F)(F)F)cn3)ccc2OCCN1Cc1ccccn1 206205846 HQECCRFKFLIQLP-UHFFFAOYSA-N 399.372 4.197 0 1 GIAF C[C@H]1CN(C[C@H](O)COc2cccc(CNC3CCCC3)c2)Cc2ccccc21 219775432 NLFFHISKVLNNGK-CVDCTZTESA-N 394.559 4.078 0 1 GIAF COc1cc(O)c(C(=O)c2ccc(O)cc2)cc1CCCc1ccc(O)cc1 238784749 GUEXWZPWJMXBDR-UHFFFAOYSA-N 378.424 4.218 0 1 GIAF CC1=C(c2ccc3nc([C@H](C)SCc4ccccc4)[nH]c3c2)NNC(=O)C1 586961183 GFJKSDHXFXQUDH-AWEZNQCLSA-N 378.501 4.313 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C/c3ccc(N)cc3)nc2c1 587251418 GQKXWMYVEKJBEF-VMPITWQZSA-N 386.249 4.255 0 1 GIAF O=C(c1cc(Cl)ccc1F)c1c(CO)oc2cc(Br)cnc12 587276785 VZJNWJGLSWPKTA-UHFFFAOYSA-N 384.588 4.106 0 1 GIAF CC(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587341353 WEIVQBBPCUFNOK-GGAORHGYSA-N 391.398 4.403 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ncc[nH]1)(c1ccc(Cl)cc1F)O2 587384789 IWAUSAMULAUMNQ-FQEVSTJZSA-N 385.826 4.196 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCC[C@H]1CNC(=O)OC(C)(C)C)O2 587386855 MDSOSFYFTHMBDZ-NYHFZMIOSA-N 388.508 4.386 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OCc3ccccc3)[C@H](C)C1)O2 587394078 QGELIUCIRBXQLB-WAIKUNEKSA-N 394.471 4.102 0 1 GIAF CC[C@]1(CC(=O)O)Cc2ccccc2[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587409006 SVIOVKGVXYMMTJ-DHIUTWEWSA-N 379.456 4.255 0 1 GIAF C[C@@]1(c2cn(Cc3ccc(F)cc3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 587504557 HRPVOOGAGJHRSY-QHCPKHFHSA-N 391.446 4.225 0 1 GIAF COc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587555600 HCUPKZHSSPZSGS-UWJYYQICSA-N 384.334 4.382 0 1 GIAF CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1O 587598725 UUVRXFOOHBGFFZ-PGRDOPGGSA-N 378.380 4.199 0 1 GIAF COc1cc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587719322 PQSQOMRKRKKTML-DYBLOJMWSA-N 398.247 4.368 0 1 GIAF CC(=O)Nc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587741365 GXFLVIJCOXXXGM-MGNBDDOMSA-N 377.257 4.170 0 1 GIAF Cc1ccnc2c1c([C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)cn2C 587755557 HUKDBXLCKRUNEM-ADLMAVQZSA-N 388.284 4.407 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(-c3ccccc3)n2)N1 587766241 UZCDUBKXPLQYJM-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccncn2)N1 587776227 CDMSEUSVSYQOMA-ZUOKHONESA-N 398.279 4.204 0 1 GIAF CCOC(=O)C1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CCCC1 587792231 BAZVPJAZMWQVCJ-XIKOKIGWSA-N 398.316 4.461 0 1 GIAF Cc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(S)n1 587845725 RXWGOXLRICUBIU-WNWIJWBNSA-N 396.329 4.081 0 1 GIAF CC(=O)Nc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850514 ZKIMQOIAHPBWQU-VPTHRUTESA-N 383.286 4.232 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3SCCS[C@@H]32)N1 587855912 KPIVITAWXKAFBO-JGXBHBFRSA-N 388.371 4.329 0 1 GIAF c1ccc(CN2CC[C@]3(C2)c2ccsc2CCN3Cc2cccnc2)cc1 962997052 PYXFCQGKBKZJCK-QHCPKHFHSA-N 375.541 4.303 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]2(c1ccccn1)c1ccc(F)cc1F 963256818 FVWHOUFSDPWFOC-OAQYLSRUSA-N 386.829 4.459 0 1 GIAF COc1ccc([C@]2(c3coc4ccc(O)cc34)NCCc3ccc(O)cc32)cc1 963328787 IWOAVLCMYYRWLM-DEOSSOPVSA-N 387.435 4.290 0 1 GIAF CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCCC[C@H]3N)nc21 1772631712 JPJBCKSRGYPABG-CVEARBPZSA-N 399.930 4.486 0 1 GIAF C[C@H]1c2ccccc2CCN1C[C@@H](O)COc1cccc(CNC2CCCC2)c1 1772655757 CZLTVGXHWMJBBI-WMZHIEFXSA-N 394.559 4.078 0 1 GIAF CC(C)c1cc(-c2cc(C(=O)NCc3ccccc3)on2)nc(NCC2CC2)n1 13660312 MHDIEQPMPLCUOU-UHFFFAOYSA-N 391.475 4.007 0 3 GIAF COCCN=c1scc(-c2ccccc2)n1N/C=C1\C=Nc2ccccc21 263592235 RTNVYJPRNXZUHH-UMNXWOQTSA-N 376.485 4.064 0 3 GIAF Cc1ccc2cc3cc(C(=O)N4CCC(N5CCCCC5)CC4)oc3nc2c1 4906861 IZSFTNPKNZSZBL-UHFFFAOYSA-N 377.488 4.380 0 1 GIAF Cc1ccccc1S(=O)(=O)n1ccc([C@@H](O)c2ccc(Cl)cc2Cl)c1 6523282 VFWQZUNWBSJQKM-GOSISDBHSA-N 396.295 4.422 0 1 GIAF CC(C)(N)c1cn(C2CCN(Cc3sc4ccccc4c3Cl)CC2)nn1 23129833 QYJQDBOZGHSVND-UHFFFAOYSA-N 389.956 4.177 0 1 GIAF CCN(CC)CCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 27323398 TVVGHIMPVNDKGE-UHFFFAOYSA-N 393.922 4.156 0 1 GIAF CCCCOCCOc1c(OC)cc(N[C@H](C)CCCN)c2nccc(C)c12 28221432 YHIUDDWUDADZJX-QGZVFWFLSA-N 389.540 4.287 0 1 GIAF COC(=O)[C@@]1(c2ccc(OC)cc2)C[C@@H]1CN1CCC(Cc2ccccc2)CC1 28635001 KNKFPQOWTXYRMB-RCZVLFRGSA-N 393.527 4.081 0 1 GIAF CCn1c2ccccc2c2cc(S(=O)(=O)Nc3cccnc3OC)ccc21 28702589 WOVRJVGYSOQBSX-UHFFFAOYSA-N 381.457 4.019 0 1 GIAF Clc1ccc2c(c1)C[C@H](NCCCN1CCOCC1)c1ccccc1S2 33690427 LHAIIKGLZWATAU-IBGZPJMESA-N 388.964 4.400 0 1 GIAF CN1CC2(CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)[C@@H]1c1ccc(F)cc1 62213053 UHPCLHOBLVYPFH-IBGZPJMESA-N 389.421 4.405 0 1 GIAF Cc1nn([C@H](C)c2ccccc2)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12 64447222 YSNYZLUBXDTXPJ-MRXNPFEDSA-N 395.466 4.332 0 1 GIAF C[C@@H]1C(=O)[C@H](C)[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 71317546 FZHGLOCDHOYYLD-SGNKAXLRSA-N 387.483 4.049 0 1 GIAF CN(C)c1cccc([C@H](O)c2nnc(Nc3ccc(F)c(Cl)c3)s2)c1 82083101 PAHZLFMTAWSWTN-HNNXBMFYSA-N 378.860 4.222 0 1 GIAF CCN(Cc1ccccc1)C(=O)c1cnc(N(C)CC(C)C)nc1-c1ccco1 82142922 ZVUPMKIKPJFLIV-UHFFFAOYSA-N 392.503 4.491 0 1 GIAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 82204099 BCWCBRQGZQITIZ-IEBWSBKVSA-N 394.567 4.133 0 1 GIAF O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCC(=O)N1Cc1ccccc1 95565179 JSQPJZBDPXREDG-GOSISDBHSA-N 391.298 4.191 0 1 GIAF Cn1c(S(=O)(=O)Cc2cccnc2)nc(-c2ccccc2)c1-c1ccccc1 96915286 UJUXOTBYNBLPND-UHFFFAOYSA-N 389.480 4.123 0 1 GIAF Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)C[C@@H]3CC[C@H]5N3)c(=O)c2)cn1 113221813 LJHHXJOXVGZINW-GHTZIAJQSA-N 396.494 4.049 0 1 GIAF O=C1CC[C@@H]([C@@H](O)/C=C/CCCCCC=C(Br)Br)O1 198355134 CHSPIILKMVACOK-YILIYONBSA-N 396.119 4.191 0 1 GIAF CC(=O)N1Cc2c(-c3ccc(F)cc3)nn(Cc3ccc(F)cc3F)c2C[C@H]1C 204907853 MNRNRKQRNKDGGO-CYBMUJFWSA-N 399.416 4.309 0 1 GIAF O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1n[nH]c2ccccc12 205430256 MVIOUMAQZUTDMB-UHFFFAOYSA-N 386.242 4.367 0 1 GIAF CC(C)C1=CC[C@@]2(C)[C@H](O)[C@@H](O)C[C@](C)(OC(=O)/C=C/c3ccccc3)[C@@H]2C1 238752762 GIVYBSDWYHUABS-UIMYRPBRSA-N 384.516 4.126 0 1 GIAF O=C(O)c1ccccc1/C=C\c1nc2cc(Br)c(F)c(F)c2[nH]1 586878280 BZDOWXSWKYFMDO-WAYWQWQTSA-N 379.160 4.472 0 1 GIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](c1cncnc1)CCC3 586988363 QCZFQUSDNXQMPF-AWEZNQCLSA-N 379.419 4.410 0 1 GIAF Cc1c(C(=O)O)[nH]c2c1-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586990093 VEKLIJLJPICUHP-UHFFFAOYSA-N 396.402 4.252 0 1 GIAF Cc1nn(CC(=O)O)c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105237 UFTKUMYVSRZLLP-UHFFFAOYSA-N 383.407 4.011 0 1 GIAF N=C(N)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110454 XPMAMQCIMSPMQN-UHFFFAOYSA-N 386.299 4.475 0 1 GIAF O=C1C[C@@H](c2nc3cc(Cl)cc(F)c3[nH]2)CN1Cc1ccc(F)cc1F 587148052 FHNHQKUOCNVCBR-SNVBAGLBSA-N 379.769 4.150 0 1 GIAF Cc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587353451 ZKOAYCGLIXDSGL-NFBKMPQASA-N 389.382 4.046 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@H](C)C(=O)OC)CC2=O 587479159 KTJRYQFISIXFQB-IQMFZBJNSA-N 382.456 4.101 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1csc(N(C(C)=O)C3CC3)n1)CC2=O 587498250 ZPESWTUESJGLDP-GOSISDBHSA-N 386.473 4.023 0 1 GIAF CC(=O)OC12CC3C[C@@H](C1)C1(CC(=O)c4ccc5c(c4O1)CCCC5)[C@@H](C3)C2 587526901 XSBKXFVFYSASOX-XZEQGPMMSA-N 380.484 4.411 0 1 GIAF C[C@@]1(c2ccnn2-c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578851 BKMXMOOAJIDPAS-URXFXBBRSA-N 398.418 4.455 0 1 GIAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 587580508 IJNJHZIRPDHZED-HYBUGGRVSA-N 398.418 4.496 0 1 GIAF CCOc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587588252 QERSKZKNMIXDDT-KNQAVFIVSA-N 377.396 4.063 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587599128 VRWALFUGNLBBFJ-YJHYTUISSA-N 396.439 4.092 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2C(=O)C(F)F)N1 587716195 IVUFRMVWQCQMEV-NVTQBHAOSA-N 390.243 4.342 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]2NC(=O)OC(C)(C)C)N1 587741849 IRSSYLGFERZFRD-AJAPIDPKSA-N 399.304 4.005 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccnc2)N1 587753429 IRVVBWKTKMAJNZ-BLVKFPJESA-N 386.268 4.398 0 1 GIAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1 587788005 YUDLRUNOYJJYAH-MSOLQXFVSA-N 398.466 4.338 0 1 GIAF O=C(COc1ccccc1Br)n1nc2cc1Oc1ccc(F)cc1-2 587871851 DWXZRSHRIUAOMP-UHFFFAOYSA-N 389.180 4.277 0 1 GIAF CC(C)(CC(=O)O)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587956359 YGMLOHRRIPHIPL-UHFFFAOYSA-N 379.176 4.388 0 1 GIAF Cc1cc2c(cc1F)[C@@]1(NCC2)C(Br)=COc2ccc(F)cc21 962369784 AYKYDGLOTCIDSO-SFHVURJKSA-N 378.216 4.291 0 1 GIAF COc1ccc2c(c1OC)[C@H](c1c(C)nn(CC(C)C)c1Cl)N(C)[C@@H](C)C2 962623838 KYQZNBORKRSBMT-DJJJIMSYSA-N 391.943 4.484 0 1 GIAF C[C@@]1(c2cccc(Nc3ccccc3)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962926686 ZBMZMBCHSUTDED-REWPJTCUSA-N 376.431 4.432 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2[nH]c3ccccc3c2Cl)N1 963239626 XRDGNJYRPRISGP-MJGOQNOKSA-N 377.831 4.058 0 1 GIAF O=C(Cc1ccc(-c2nnc(O)c3ccccc23)cc1)Nc1nc2ccccc2o1 1772597750 JPHMTCGRECDTPW-UHFFFAOYSA-N 396.406 4.325 0 1 GIAF Cc1ccc(Nc2nc(-c3cc(C(=O)Nc4ccccn4)no3)cs2)cc1 1772622763 VPYFJWFIMHPRKY-UHFFFAOYSA-N 377.429 4.497 0 1 GIAF O=c1c2c3c(sc2n2cnnc2n1-c1ccccc1)C[C@@H](c1ccccc1)CC3 1772622778 WPMFOPLMPWTEPG-INIZCTEOSA-N 398.491 4.367 0 1 GIAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1 775515 KYIKSMQHPQAMTK-DLBZAZTESA-N 386.492 4.071 0 1 GIAF COc1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@]3(C)C[C@H]2c2ccccc2O3)cc1 38179735 MBVAUKGGLPANSV-OBFMQZSFSA-N 377.440 4.275 0 1 GIAF O=C1OCC2=C1[C@H](c1cccc(Cl)c1Cl)c1cc3c(cc1N2)OCO3 40421506 UCNXLIJXEYDSHL-OAHLLOKOSA-N 376.195 4.090 0 1 GIAF C[C@H]1CC[C@@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CN1 40846463 QALGDBRHRSNPSF-NWDGAFQWSA-N 394.566 4.048 0 1 GIAF C[C@H]1C[C@@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1 40847497 WDVFSNIVMZTNHY-RYUDHWBXSA-N 394.566 4.048 0 1 GIAF Cc1ccc2c(c1)C(=O)N([C@@H](C)COC(=S)Nc1ccc(Cl)cc1)C2=O 40898580 XZDSYLLRHGIRTG-LBPRGKRZSA-N 388.876 4.047 0 1 GIAF CC1(Nc2nccc([C@H]3CCCN(CCc4c[nH]c5ccccc45)C3)n2)CC1 40915260 WYOWHPSXPQOGLA-SFHVURJKSA-N 375.520 4.344 0 1 GIAF in-vitro CC(C)c1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1C[C@H]1CCCO1 82188693 XBQCJUFHWDYJAR-FUHWJXTLSA-N 379.508 4.344 0 1 GIAF CC(=O)c1ccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)cc1 101396497 RXUQEGJHMLOPJR-UHFFFAOYSA-N 391.492 4.482 0 1 GIAF COc1ccc([C@@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3ncnn32)cc1OC 103943484 HJQPNTJSSQUWCA-LFVOPCPISA-N 398.463 4.110 0 1 GIAF O=C(Nc1ccc2c(c1)CN(C(=O)c1ccccc1)C2)N1Cc2ccccc2C1 167297806 AIYSFHWLXOJPDO-UHFFFAOYSA-N 383.451 4.390 0 1 GIAF O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccncc1 169302930 IBXQASRNSVVFOE-ODAXIHTASA-N 380.447 4.325 0 1 GIAF CC(C)c1ccccc1-c1ncc(F)c(NC[C@H]2CCN(c3cnccn3)C2)n1 169302979 QKSSCBIPOQWSMH-MRXNPFEDSA-N 392.482 4.135 0 1 GIAF CCN1CCN(CC)[C@@H]2c3c(C)c4cc(Br)ccc4n3CC[C@@H]21 169356662 ONHHXZOXMRUAII-HKUYNNGSSA-N 376.342 4.183 0 1 GIAF Cc1csc([C@](O)(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)C(F)(F)F)n1 587094386 QZOFREVWCBWZJM-GFCCVEGCSA-N 397.209 4.022 0 1 GIAF COC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2n1 587094859 JZFMKCBMRGKTKX-UHFFFAOYSA-N 389.255 4.449 0 1 GIAF Cc1cc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1Br 587174404 JTNZNMRLNMJVRU-AWEZNQCLSA-N 387.256 4.497 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)c(F)cc1F)O2 587381915 NHPDQAJAOJGTIY-KRWDZBQOSA-N 382.204 4.499 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c(F)c(F)c(F)c(F)c14)[C@@H](C2)C3=O 587427417 IBZXJLGNJLIKGM-WPCRTTGESA-N 377.293 4.222 0 1 GIAF COCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572020 QHIRNQFVPUHVIZ-REWPJTCUSA-N 394.398 4.425 0 1 GIAF Cc1[nH]c2cc(Cl)c(F)cc2c1-n1ncc(I)c1C 587630752 OZLHQLXBXWEEQO-UHFFFAOYSA-N 389.599 4.368 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3cccn3)cc2)N1 587760658 PKVUOKCLDBADNP-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF COc1ccc2c(c1)C[C@]1(C2)N[C@H](C)Cc2cc(Br)c(F)cc21 587811616 WQKFBUNCNMHOQS-WYRIXSBYSA-N 376.269 4.125 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(C(=O)O)cc32)N1 587826018 JGKZXNFVAAODEK-APBUJDDRSA-N 390.252 4.010 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(CC(=O)O)cc2)N1 587828347 OWOWEPZNNZFTMM-JEOXALJRSA-N 392.268 4.013 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)OCO3)N1 587831824 AEKFDHYOABYJNX-MGNBDDOMSA-N 378.241 4.115 0 1 GIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1cc(O)cc(O)c1 961752942 WSCICTSFLVTXRO-OAQYLSRUSA-N 396.487 4.339 0 1 GIAF CC(C)(C)OC(=O)n1ccc2ccc([C@H]3NCCc4c(C(=O)O)cccc43)cc21 963135082 WOHWTLBXPGXCIU-HXUWFJFHSA-N 392.455 4.358 0 1 GIAF COc1ccccc1OCCNC[C@H](O)c1cccc2[nH]c3ccccc3c12 1857552377 MXJRVEPRXNSZKO-FQEVSTJZSA-N 376.456 4.032 0 1 GIAF c1ccc(OCCNC[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)O2)cc1 1857562099 PQBBZRKWIUYSHV-NOZRDPDXSA-N 389.495 4.229 0 1 GIAF NC(=S)c1cc(-c2cn(CC(CF)CF)c3cc(CO)ccc23)ccc1F 1857577061 IZDVCHJLTKKNLW-UHFFFAOYSA-N 392.446 4.129 0 1 GIAF CO[C@H]1c2cc(C(F)(F)F)ccc2NC12CCN(CC1CCOCC1)CC2 1911576641 USJAYYOKXWVYJN-SFHVURJKSA-N 384.442 4.080 0 1 GIAF CC(=O)OCC(=CC(=O)O)CC[C@@]1(C)[C@@H]2CCC=C(CO)[C@]2(C)CC[C@H]1C 2356611258 QLAXVEYAEFYWTR-XOHCFOMMSA-N 378.509 4.112 0 1 GIAF CC(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@H](C(=O)COC(=O)C=Cc3ccccc3)[C@H]12 2356656207 FAXXBSGOEYEFII-MOMULLCKSA-N 384.516 4.272 0 1 GIAF COc1cccc([C@H]2C[C@H](c3c(Cl)cccc3Cl)n3nc(N)nc3N2)c1 12469464 SRPHZJWELMANIS-HUUCEWRRSA-N 390.274 4.322 0 3 GIAF aggregator COc1cccc(-c2ncc3ccccc3c2COC(=O)CCCC(=O)O)c1 36388752 MLGMZIUNDPCCIF-UHFFFAOYSA-N 379.412 4.209 0 3 GIAF Cc1cccc(C)c1NC(=O)[C@]1(C)CCC(=O)N1CCc1c[nH]c2ccccc12 199397409 XXPDOPKDAUFEDT-DEOSSOPVSA-N 389.499 4.347 0 3 GIAF CCCN1CCC(=O)N([C@@H](CSc2ccc(OC)cc2)c2ccccc2)CC1 13830669 LTPMNMDUGIXHAK-QFIPXVFZSA-N 398.572 4.473 0 1 GIAF Clc1ccc(-c2noc(-c3ccc(OCCCN4CCOCC4)cc3)n2)cc1 28380433 FSBFDGDPVUVAQT-UHFFFAOYSA-N 399.878 4.158 0 1 GIAF COc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2cccc(C)c2)CC1 29465394 WKDKBEIWBGZZBA-UHFFFAOYSA-N 387.911 4.090 0 1 GIAF COC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc(-c3ccc(C(C)=O)cc3)cc1)N2C 34228948 QOGDDOWLBRAWFT-WZYRSQIMSA-N 377.484 4.296 0 1 GIAF CCN(Cc1cscn1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 35942802 DBCGQWBJSYJXSD-UHFFFAOYSA-N 384.345 4.482 0 1 GIAF O=C(Oc1ccc(Cl)cc1OC(=O)c1ccc(O)cc1)c1ccc(O)cc1 49073173 QGUMKYRDAGQIDI-UHFFFAOYSA-N 384.771 4.190 0 1 GIAF O=C(c1ccc(Sc2ccc(F)cc2)cn1)N1CCCN(C2CCC2)CC1 53247033 POQGJGSFSIEDCM-UHFFFAOYSA-N 385.508 4.072 0 1 GIAF COc1ccc(Nc2nc(-c3cnn(Cc4ccccc4)c3)cn3ccnc23)cc1 64540328 IWYSKGJPOBMTBT-UHFFFAOYSA-N 396.454 4.393 0 1 GIAF COc1cccc(Cn2c3ccc(Br)cc3c3c(C)nnc(O)c32)c1 84731675 XAXTZRLEMGBGGK-UHFFFAOYSA-N 398.260 4.418 0 1 GIAF CC(C)CC[C@@H]1CC[C@H](NC[C@@H]2C[C@H]([C@H](C)c3ccc(C=O)cc3)N3C[C@]23O)C1 85547876 RKXQBFQVQBLOGW-RQXSHZHRSA-N 398.591 4.190 0 1 GIAF biogenic,in-vitro CCn1cc(CN2CCOc3ccc([C@H](O)C4CCCCC4)cc3C2)c(C)n1 95598917 HXTMGNQPKVYDLG-HSZRJFAPSA-N 383.536 4.220 0 1 GIAF O=C(CC1CCCC1)Nc1ccc(NC(=O)N2Cc3ccc(CO)cc3C2)cc1 166660324 XLXMQRDDJHPIFU-UHFFFAOYSA-N 393.487 4.245 0 1 GIAF CN1[C@H]2C[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1C[C@@H]2C(=O)O 169345611 RFSBZRWCRLFPFN-MUGJNUQGSA-N 387.426 4.007 0 1 GIAF COc1cc2c(C)[nH]c(=O)c(Cc3cnc4cccc(OC)c4c3)c2cc1OC 169703367 IRUZWFZHBKSSKB-UHFFFAOYSA-N 390.439 4.001 0 1 GIAF C[C@H]1C(=O)CC[C@@]2(C)C1=NC[C@H]1[C@@H]3CC[C@H](C(=O)NC(C)(C)C)[C@@]3(C)CC[C@@H]12 169714155 UGTPPIKWZTVVAM-KKIWLECNSA-N 386.580 4.420 0 1 GIAF Cc1cccc(-c2cc(Nc3nn(C)cc3C(F)(F)F)nc3[nH]cc(C#N)c23)n1 219675169 IHVBFXAXYRLAMA-UHFFFAOYSA-N 397.364 4.301 0 1 GIAF CCOC(=O)N1CCN(C2(c3ccc(F)cc3)C3CC4CC(C3)CC2C4)CC1 299867782 YTGWDIQVUNOZSI-UHFFFAOYSA-N 386.511 4.251 0 1 GIAF COC(=O)c1cc(Cl)c2nc(-c3cc4c(C=O)ccc(OC)c4o3)[nH]c2c1 586903350 IZJMJQNINNUDPX-UHFFFAOYSA-N 384.775 4.237 0 1 GIAF O=C(O)c1ccc2c(c1)Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990081 IWFUMRVCHOHGCN-UHFFFAOYSA-N 379.371 4.421 0 1 GIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cnc(Cl)[nH]c-2n1 587034091 MWEYCUKPTOEVMD-LLVKDONJSA-N 385.880 4.444 0 1 GIAF Cc1c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075982 PKTFOLSEPJAKDF-UHFFFAOYSA-N 395.894 4.318 0 1 GIAF Cc1c(Br)ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c12 587177396 HLJFXAINIXPJIP-UHFFFAOYSA-N 375.245 4.435 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587191790 ZPPMWKPIDLGOAH-KRWDZBQOSA-N 393.447 4.101 0 1 GIAF COC(=O)c1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2c1 587241738 IAKAZQRJMSKHGJ-UHFFFAOYSA-N 383.404 4.069 0 1 GIAF C[C@]1(c2cn3c(n2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340385 SMUMUYMDMDQXDW-JTHBVZDNSA-N 392.430 4.338 0 1 GIAF Cc1ccc([C@]2([C@@H](C)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587350538 GWKASFPDQNWAKI-LIAVLPADSA-N 392.426 4.475 0 1 GIAF Cc1ccc(C)c([C@@]2(CO)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587352089 JWDUDGIWJZOBKF-ISKFKSNPSA-N 392.426 4.395 0 1 GIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC(=O)NC[C@H]32)c1 587362024 COUPGVLIUKKCSA-PBHICJAKSA-N 384.435 4.432 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1cccc3ccccc13)O2 587408593 QJGDUFFENVHFNP-HSZRJFAPSA-N 375.424 4.456 0 1 GIAF Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587409228 QUTCUKXCNYUJKU-HSZRJFAPSA-N 389.407 4.312 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)cc1OC)[C@@H](C2)C3=O 587414585 WIEMKBNUHWQKPR-LIRRHRJNSA-N 389.245 4.129 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4c(C)noc4C)cc1)[C@@H](C2)C3=O 587437276 XDWWLMPUDXXBRE-MBSDFSHPSA-N 391.423 4.368 0 1 GIAF CCn1cc([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587515689 OIDFQGDFWMVUIA-OTOIZHKDSA-N 379.504 4.026 0 1 GIAF CC(C)(C)OC(=O)N1CCC12CC1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518533 KSNGLYWGKKAXNI-UHFFFAOYSA-N 383.488 4.443 0 1 GIAF CCOC(=O)[C@H]1Cc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526303 SNKMVOKMOQWLHN-HYBUGGRVSA-N 376.452 4.162 0 1 GIAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn2c1C=O 587587424 MTOZTSYTACOCJK-ZJSXRUAMSA-N 399.402 4.469 0 1 GIAF COc1cc(C)c(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587590852 ZPMOPOBVDIGAGL-GHTZIAJQSA-N 391.423 4.067 0 1 GIAF CN1CCCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587593168 JRKZYNBXKCZLEP-URXFXBBRSA-N 387.435 4.478 0 1 GIAF Cc1[nH]c2cc(F)ccc2c1C(=O)Nc1ccc(I)cc1 587635772 RNZQUTFLRAMMSX-UHFFFAOYSA-N 394.187 4.472 0 1 GIAF O=C(c1ccccc1OCc1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587652679 YTHAUPTUFDOPQK-UHFFFAOYSA-N 390.826 4.317 0 1 GIAF CCN(CC)c1ccc(-c2nn(C(=O)CC(C)C)c(=O)c3ccccc23)c(O)c1 587666953 ISFRKTDTCDIOEJ-UHFFFAOYSA-N 393.487 4.302 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccccc1F 587869024 XRURGPUAGQCWTN-UHFFFAOYSA-N 396.369 4.357 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1ccc(O)cc1OC(F)(F)F)N(C)[C@@H](C)C2 962641712 UDCTUGDPJXMFKU-WLRWDXFRSA-N 397.393 4.274 0 1 GIAF COc1ccc(C[C@]2(C)NCCc3cc4cccc(OC)c4nc32)c(C)c1OC 963067143 NRJWHOXJHDENIT-DEOSSOPVSA-N 392.499 4.173 0 1 GIAF CCOC(=O)CCCC[C@]1(c2ccc(CC)cc2)NCCc2ccc(O)cc21 963343343 TYVFWPCKMSORAY-XMMPIXPASA-N 381.516 4.467 0 1 GIAF O=C(O)/C(=C/c1ccccc1)CN1CCN(c2cccc(Cl)c2Cl)CC1 1772648029 ZNIUEAXVJPLCRH-DTQAZKPQSA-N 391.298 4.284 0 1 GIAF CCCc1ccc([C@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ncccn2)s1 1857761279 KAYQGRXLMYKZRI-FQEVSTJZSA-N 388.496 4.442 0 1 GIAF COc1cc(C(=O)c2cnn(-c3cccc(Cl)c3C)c2)cc(OC)c1OC 1857764335 VDYVSMLWLHDSEB-UHFFFAOYSA-N 386.835 4.091 0 1 GIAF COc1ccc2c(c1OC)CN(C)c1c-2c(OC)cc2cc3c(cc12)OCO3 2356871471 YBIVDILLHOHSKV-UHFFFAOYSA-N 379.412 4.211 0 1 GIAF Fc1ccccc1-c1csc(=Nc2cccnc2)n1CCCn1ccnc1 263592195 AHWQMRNCOPKAGT-UHFFFAOYSA-N 379.464 4.270 0 3 GIAF Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cccs1)CC(=O)N2 3660385 CYXORFFVQAQPII-HXUWFJFHSA-N 380.444 4.380 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(-c3ccccc3)cc2)[C@H]1C(=O)NCCO 4212802 NQJIAXUNYXPWFV-XZOQPEGZSA-N 394.515 4.476 0 1 GIAF COc1c(C(=O)N[C@H]2CN3CCC2CC3)cc(Cl)cc1C1CCCCC1 13451285 QICRBBPRWKJAQA-IBGZPJMESA-N 376.928 4.220 0 1 GIAF CC(C)N1CCC(Oc2ccc(CN3CCN(c4ccccc4)CC3)cc2)CC1 13641211 OZYQJQRDWKSBHB-UHFFFAOYSA-N 393.575 4.260 0 1 GIAF Cc1ccccc1/C(=C/OCCN1CCC[C@@H](C(=O)O)C1)c1cccc(F)c1 13800077 PEQWTLDEOSHRCA-NDWLXSOOSA-N 383.463 4.337 0 1 GIAF CCS(=O)(=O)N(Cc1cccnc1)c1cccc([C@@H](F)c2ccccc2)c1 26834629 VDKCBRJPJMMTEC-NRFANRHFSA-N 384.476 4.497 0 1 GIAF O=C(C1CCCC1)N1C[C@@H]2CC=C(c3ccc(CCN4CCCC4)cc3)[C@@H]2C1 40422805 UQBZBQNSUZGXQM-LADGPHEKSA-N 378.560 4.377 0 1 GIAF COc1cc(C(=O)c2cc(CCc3ccccc3)sc2N)cc(OC)c1OC 71342039 JYVATKRXGZRKNH-UHFFFAOYSA-N 397.496 4.372 0 1 GIAF COc1cc2nc(N3CCc4ccccc4C3)nc(NCC(C)C)c2cc1OC 82127691 BEHSUWXMQBOEHH-UHFFFAOYSA-N 392.503 4.278 0 1 GIAF COc1ccc(-c2cc(NC[C@H](C)c3ccccc3)ncn2)c(OC)c1OC 82160397 IEZRLHVRIQTRBN-HNNXBMFYSA-N 379.460 4.385 0 1 GIAF CC(C)CN(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1ccncc1 95552835 KZPWYOILXQKXHH-UHFFFAOYSA-N 386.517 4.113 0 1 GIAF CC(C)CC(=O)N[C@@H](C(=O)N1CCC(c2ccc(Cl)cc2)CC1)C(C)C 95577122 QDAXOGLOHFQKLR-HXUWFJFHSA-N 378.944 4.233 0 1 GIAF Cc1sc(Nc2cc3c(cc2F)OCO3)nc1C(=O)N1CCC[C@@H](C)[C@@H]1C 96283033 SEMFMCZEFJOTEB-MNOVXSKESA-N 391.468 4.324 0 1 GIAF O=C(O)c1cccc(CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)c1 145208971 DGMNFRFRKNNMQE-UHFFFAOYSA-N 382.416 4.464 0 1 GIAF CCOc1ccc(C(C)=O)cc1NC(=O)c1cc(C(=O)O)cc(-c2ccoc2)c1 211369747 HEMBESATTQDKPY-UHFFFAOYSA-N 393.395 4.498 0 1 GIAF COC(=O)[C@H]1[C@H](c2ccc(-c3cccc(C(C)=O)c3)cc2)C[C@H]2CC[C@H]1N2C 253632627 CGGKEMRCMPNIGU-ACESQOTJSA-N 377.484 4.296 0 1 GIAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2nc(C)c(Cl)c2C)CC1 261121928 JRBVOUREXIRPPY-KOMQPUFPSA-N 395.334 4.499 0 1 GIAF COc1ccc(C=O)c2cc(-c3nc4nc(C)c(Br)cc4[nH]3)oc12 586902811 CGOVIAHKRXHPAN-UHFFFAOYSA-N 386.205 4.263 0 1 GIAF Cc1cc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2cc1F 587003451 KRTVQZTUSAKEGO-SNVBAGLBSA-N 389.224 4.408 0 1 GIAF N[C@H](c1ccsc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587025744 PTNGBQFFKLGOEF-LLVKDONJSA-N 376.201 4.454 0 1 GIAF Cc1c(Br)ccc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12 587052963 VUDZYFRTSFLVIX-GFCCVEGCSA-N 380.673 4.235 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587083651 DUPCACQJLVTAHP-UHFFFAOYSA-N 383.860 4.349 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc(-c4cc(CO)ccc4F)[nH]c3c2)cc1 587140753 PJHMQYJFXNMKPW-UHFFFAOYSA-N 392.386 4.440 0 1 GIAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587171601 PSJFXKPRKXNKDP-HNNXBMFYSA-N 385.508 4.430 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC(F)(F)F)c1)[C@@H](C2)C3=O 587422141 NSJBURVQPOBDMS-KPZWWZAWSA-N 380.318 4.091 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4ccc(C(=O)O)cc41)[C@@H](C2)C3=O 587451221 QLPDFBQHOFKOTA-CYFREDJKSA-N 384.387 4.065 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc4c(c1)OCO4)[C@@H](C2)C3=O 587453617 PIKHRZBDAUZSOJ-UUOWRZLLSA-N 386.403 4.115 0 1 GIAF O=C1C[C@H](c2cc(Br)c(O)cc2O)Oc2c1ccc1c2CCCC1 587500670 UJZSDLQZTVIHRD-GOSISDBHSA-N 389.245 4.446 0 1 GIAF O=C1C[C@@H](C(=O)Cc2cccc(Br)c2)Oc2c1ccc1c2CCCC1 587505092 ULNFVKBSCBAEGF-FQEVSTJZSA-N 399.284 4.474 0 1 GIAF C[C@]1(c2ccc(N3CCC(O)CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515299 SAZOSIWJDLBYEA-RUZDIDTESA-N 391.511 4.407 0 1 GIAF C[C@]1(c2ccc(N3CCOCC3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587533535 WSZMOIWUUCLVHS-JOCHJYFZSA-N 383.513 4.344 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCNc1nc(Cl)ccc12 587551726 IXUKFFHTEYPPEY-LAUBAEHRSA-N 394.814 4.113 0 1 GIAF CN(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)n1 587551892 KXFHYKKKCVWROM-PXNSSMCTSA-N 396.830 4.210 0 1 GIAF COc1cc(F)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569527 QTKNHTYFFWDUKS-KNQAVFIVSA-N 380.371 4.417 0 1 GIAF Cn1ncc2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587581748 MGKOHSHGCHXWLN-OFNKIYASSA-N 386.407 4.156 0 1 GIAF Cc1ccn2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)nc2c1 587589275 UJCRCZXILYAPHF-WMZHIEFXSA-N 386.407 4.360 0 1 GIAF CCCSc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587615206 XAKFZMMGGYGLSU-XLIONFOSSA-N 394.452 4.387 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C=C1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587799292 RRCQRAMKKHDXFE-BBEJJTJUSA-N 396.300 4.237 0 1 GIAF Cc1cc(C(=O)O)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587826441 KVEBPLSMCCSSBS-QGHHPUGFSA-N 378.241 4.218 0 1 GIAF C[C@@H](O)Cc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587835101 UXVJBNURKMFENP-CLUVUEOHSA-N 378.285 4.135 0 1 GIAF Nc1nc2cc(-c3ccccc3)ccc2c(=O)n1C[C@@H]1C[C@@H](c2ccccc2)CO1 653785000 RNOWCBRECJJYFL-RTWAWAEBSA-N 397.478 4.218 0 1 GIAF COc1ccc2c(c1)[C@@H](c1ccc(OCCN(C)C)c(OC)c1)N(C(C)C)CC2 962090960 JSGOTNFUQKMNBU-XMMPIXPASA-N 398.547 4.000 0 1 GIAF Cc1nn(C)c([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1Cl 962642206 OGLFNSBKRYYFHM-SIKLNZKXSA-N 392.934 4.218 0 1 GIAF C[C@@]1(c2cnc(Nc3ccc(F)cc3)s2)c2ccsc2CCN1C(N)=O 962714641 VBKVUNBRAIRFNP-SFHVURJKSA-N 388.493 4.288 0 1 GIAF CC1(C)CC(Nc2ccccc2N)=C[C@]2(C1)N[C@H](C(=O)O)Cc1cccc(F)c12 962903649 XJZOYOHOPGUCJO-WMZHIEFXSA-N 395.478 4.018 0 1 GIAF CC[C@@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H](CC(=O)OC)[C@](C)(CC(=O)OC)[C@H]3CC[C@]12C 2356393775 SIZQRHSXXDKFNH-ZNDYBZTQSA-N 392.536 4.177 0 1 GIAF CC(=CCc1c(O)cc(C)c(C=O)c1O)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356402989 WZJNPSYHERZTNW-OAQYLSRUSA-N 390.520 4.346 0 1 GIAF CSCC[C@@H](C(=O)NC1CCCC1)n1c(-c2ccncc2)nc2ccccc21 95604624 QRCFBYYSPMEKRA-FQEVSTJZSA-N 394.544 4.451 0 3 GIAF CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NC[C@H](O)CC 4213407 COALRPBIMWYHQZ-ZMYBRWDISA-N 398.906 4.380 0 1 GIAF CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)OC(F)(F)O4)n2)c1 13679260 RZVOBOMCZOXHTE-UHFFFAOYSA-N 384.342 4.167 0 1 GIAF CC(C)=CCC[C@](C)(O)[C@H](O)CC/C(C)=C/Cc1cc(C(=O)O)ccc1O 14511580 JXAFVRIAOQJYNY-XPQBZAJASA-N 376.493 4.218 0 1 GIAF C[C@H]1[C@@H](c2ccccc2O)c2cc3c(cc2O[C@H]1NNc1ccccc1)OCO3 17252791 BBXMIJIOSXULBG-AETJINEWSA-N 390.439 4.224 0 1 GIAF COc1cccc(-c2ccc3c(c2)C[C@@H]2OC(=O)[C@H](CCCCC(=N)N)[C@@H]32)c1 27437702 JXTNFIXKYVZXDP-RZUBCFFCSA-N 378.472 4.040 0 1 GIAF COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1[C@@H]1CN3CCC[C@H]3C=C21 28955278 AVTCXJVXWDPCND-VBKZILBWSA-N 393.483 4.347 0 1 GIAF CC(=O)O[C@H]1O[C@@H]2OC(=O)C[C@@H]2[C@@H]1[C@]1(C)CC[C@H]2C(C)(C)CCC[C@@]23C[C@H]31 34302781 BYXHBZMLQCONFJ-JDRAKNBASA-N 376.493 4.044 0 1 GIAF N=C(NCCCc1ccccc1)c1cccc(C(=N)NCCCc2ccccc2)n1 45190976 YIABILBRXCSVOR-UHFFFAOYSA-N 399.542 4.177 0 1 GIAF O=c1cc(NCCCNCc2cc(C(F)(F)F)ccc2F)[nH]c2ccccc12 45302476 UAXUSSKBZAMPGW-UHFFFAOYSA-N 393.384 4.278 0 1 GIAF CCOc1ccc([C@]2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)cc1 64528397 MXDFGCSIIJYMSZ-QFIPXVFZSA-N 381.378 4.356 0 1 GIAF CC[C@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2C[C@@H](C)C[C@H](C)C2)n1 82066831 NWUZHJPRZHIYIC-JYJNAYRXSA-N 385.512 4.365 0 1 GIAF NC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2 95598229 REWKYBZOKMQVKG-UHFFFAOYSA-N 378.378 4.137 0 1 GIAF COc1cc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c(OC)c1OC 96916672 HNQDIVNUIYHWRK-UHFFFAOYSA-N 379.338 4.418 0 1 GIAF CCc1c(O)nc(SCc2ccc(OC)cc2)nc1C(=O)c1cccc(F)c1 96939931 HVBUJINZQKNMFV-UHFFFAOYSA-N 398.459 4.416 0 1 GIAF S=c1[nH]c2ccc(OCCN3CCN(c4ccc(Cl)cc4)CC3)cc2[nH]1 98084732 HFCYYXZPGUAIFS-UHFFFAOYSA-N 388.924 4.080 0 1 GIAF COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)C(C)(C)c3nnsc32)cc1 103278523 ZRAXYGBQUWQSFZ-PKOBYXMFSA-N 381.501 4.267 0 1 GIAF O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)c(Cl)c2)C1 145692888 BNVXTRHZRYNIIM-UHFFFAOYSA-N 399.796 4.454 0 1 GIAF CC(C)(C)NC[C@@H](O)COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 169317394 KXQRDLJDRHMIFJ-QGZVFWFLSA-N 391.899 4.112 0 1 GIAF O[C@H](COc1cccc(-c2ccc3[nH]ncc3c2)c1)CN1CCc2ccccc2C1 219735110 VEXLUJFDKVPWTG-QHCPKHFHSA-N 399.494 4.028 0 1 GIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(F)cc(Br)c2[nH]1 586882535 XEYJPUPPNPKZCZ-UHFFFAOYSA-N 389.224 4.393 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586888301 INZGNQHYULYTNP-BJMYLWLSSA-N 387.549 4.109 0 1 GIAF Brc1ccc2c(cnn2CCc2nc3cnc4ccccc4c3[nH]2)c1 587002382 KULBNNSAUSDSAC-UHFFFAOYSA-N 392.260 4.466 0 1 GIAF Brc1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006337 GSBHBBPITQDRMR-UHFFFAOYSA-N 392.054 4.403 0 1 GIAF O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587084425 MEKBDAGQUABFNY-UHFFFAOYSA-N 387.020 4.392 0 1 GIAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cnc(Cl)[nH]c-4n3)c(F)c2)c1 587138462 JMNBLKBCMFWOAM-UHFFFAOYSA-N 386.745 4.268 0 1 GIAF Fc1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)nc1Br 587154917 GJCALSXAUTYVLU-UHFFFAOYSA-N 376.107 4.425 0 1 GIAF CC1(C)[C@H]2C[C@H]1[C@](C)(O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346816 AJVUKXMVTFSSAH-KBJCJNHVSA-N 396.458 4.446 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N(C)C)c(Br)c1)O2 587376129 HKNMXOKPNMNRMR-QGZVFWFLSA-N 375.266 4.112 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(OC)ccc1Br)[C@@H](C2)C3=O 587413371 NGFRSTUDXHCBNO-LIRRHRJNSA-N 389.245 4.129 0 1 GIAF COc1cc2c3c(c1)O[C@@](C[C@H](C)C(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587418483 BKBDDAYBNHQQKE-VQDICGIKSA-N 386.831 4.102 0 1 GIAF CC[C@@]1(CC(=O)O)Cc2ccccc2[C@@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587446168 AIILESOHFUWICK-PUZWTLIVSA-N 392.451 4.155 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1sc4nc(C)cc(C)c4c1N)[C@@H](C2)C3=O 587451207 JCYZIHIIBUOADP-ZSEKCTLFSA-N 380.469 4.167 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(COc4ccccc4OC)o1)[C@@H](C2)C3=O 587455660 PECMGOVFMVFIDS-HJPURHCSSA-N 392.407 4.365 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCc3nccn3C)cc1)CC2=O 587471808 VJZBWZWIFKTSAF-OAQYLSRUSA-N 392.455 4.364 0 1 GIAF COc1cc(F)cc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554696 DVOUBDAQJCEBPQ-RXVVDRJESA-N 384.334 4.382 0 1 GIAF CCOC(=O)C[C@]1(CC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595216 KDGRQLHUEZUPBK-WMZHIEFXSA-N 398.455 4.482 0 1 GIAF CCOC(=O)[C@]1(CC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595951 MCBYULPTLRQUEN-VGOFRKELSA-N 384.428 4.092 0 1 GIAF C[C@]1(COc2cccc(C=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596281 QNOADZUXOBHHJW-NFBKMPQASA-N 390.391 4.004 0 1 GIAF COC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1NC(=O)OCc1ccccc1 587631029 FXUMAHXWOGVSQI-UHFFFAOYSA-N 390.798 4.425 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3cccnc3c2)N1 587776175 BNRPHWHELZOZAB-JEOXALJRSA-N 386.268 4.329 0 1 GIAF COC(=O)C1(C)CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587803873 CGVTWCOSCGRTCY-NVWNAPEYSA-N 384.289 4.071 0 1 GIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2c(Cl)cccc2N2CCCCC2)N1 962898938 NBWIMAHJWJGCLE-FXAWDEMLSA-N 388.870 4.158 0 1 GIAF Cc1ccc2nc(NC(=O)c3cccc(Cl)c3)c(C(=O)NC3CCCC3)n2c1 1857592599 LZJRKSCNXCGXPE-UHFFFAOYSA-N 396.878 4.221 0 1 GIAF CCOC(=O)[C@]12Cc3ccccc3[C@H]1N(Cc1ccccc1)C(=O)c1ccccc12 36382945 AVDAOHSYEQZMCM-BVAGGSTKSA-N 397.474 4.441 0 3 GIAF COc1ccccc1N1CCN(Cc2nc(-c3ccc(F)cc3)oc2C)CC1 60230315 ZPSHPZXNHIREIH-UHFFFAOYSA-N 381.451 4.120 0 3 GIAF COc1cccc(NC(=O)Nc2c(-c3ccc(F)cc3)nc3ncccn23)c1 203466159 NWSLIGTVAICYOG-UHFFFAOYSA-N 377.379 4.188 0 3 GIAF COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(OC)c1OC 1091178 RRALBUQSJRAPDV-SFHVURJKSA-N 379.865 4.144 0 1 GIAF CN(C)C(=O)c1ccc(-c2ccc3ncnc(NCc4cccnc4)c3c2)cc1 4258559 QYQAMHSXJSIXIJ-UHFFFAOYSA-N 383.455 4.006 0 1 GIAF COc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)c(C)c2)cc1 4649009 XRLBTZIFSNWXNK-STZFKDTASA-N 390.439 4.315 0 1 GIAF COc1cc(CCNCc2ccc(Cl)cc2)c(OC)cc1Br 13737381 FNPBKEVMBJWKPE-UHFFFAOYSA-N 384.701 4.452 0 1 GIAF CS(=O)(=O)c1ccc(-c2occ(Cl)c(=O)c2-c2cc(F)cc(F)c2)cc1 26275226 JNXURSLBBOQANJ-UHFFFAOYSA-N 396.798 4.309 0 1 GIAF CCOC(=O)c1noc(C)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28569411 RFNJTAVYNOVWTB-UHFFFAOYSA-N 397.271 4.139 0 1 GIAF CN1C(=O)c2ccccc2Oc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 95555210 ZBGOKZJTMPLHNL-UHFFFAOYSA-N 391.267 4.381 0 1 GIAF c1cnc(O[C@@H]2CCN(c3nccc4ccccc34)C2)c(C2CCOCC2)c1 96168980 ZOHPJLHAXGUWBE-LJQANCHMSA-N 375.472 4.182 0 1 GIAF COc1ccc(-c2cnc3cncc(Nc4cc(OC)ccc4OC)c3n2)cc1 200655652 UOJSYTFKPYHYHF-UHFFFAOYSA-N 388.427 4.461 0 1 GIAF CCCOc1cc(O)c2c(=O)c(O)c(-c3ccc(OCCC)c(O)c3)oc2c1 299825527 CQHWZUFTVMMPKN-UHFFFAOYSA-N 386.400 4.154 0 1 GIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc3ncccc3c2[nH]1 587043836 VWNQCDNPOZKLBR-INIZCTEOSA-N 380.860 4.420 0 1 GIAF O=C(c1nc2c(Br)cncc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133682 ZHRTYBHLUPYELR-UHFFFAOYSA-N 389.011 4.397 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(/C=C\C(=O)O)=COc2ccc(Cl)cc21 587380592 WOGJWTIXZKLIFU-NFOFNSIRSA-N 397.814 4.008 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2ccc(C(C)(C)C)cc21 587480571 DRUDRENSFFCNIE-QHCPKHFHSA-N 379.456 4.455 0 1 GIAF COc1cc2c(cc1F)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574100 YTLHYVNJRJMFIE-OFNKIYASSA-N 392.382 4.343 0 1 GIAF Cc1ccn2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)nc2c1 587589276 UJCRCZXILYAPHF-XXBNENTESA-N 386.407 4.360 0 1 GIAF Cc1c(C=O)c2ccccn2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590077 XGZIUQZSPXDXNK-GBXCKJPGSA-N 399.402 4.469 0 1 GIAF O=c1c2cc(Cl)ccc2cnn1-c1nnc(-c2ccccc2)n1-c1ccccc1 587652317 BVYXXFCEXIWBMJ-UHFFFAOYSA-N 399.841 4.287 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc(F)ccc32)N1 587731127 KNCLBWCXWUNBOK-MGNBDDOMSA-N 380.232 4.288 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cncnc2)N1 587779434 SINUFXKMNYZGAW-ZUOKHONESA-N 398.279 4.204 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cl)cc1F 587868774 SKCGZHGIBIPFEW-UHFFFAOYSA-N 399.731 4.454 0 1 GIAF CCOc1ccc(-c2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n[nH]2)cc1 587876393 SDXDQYJQUFBABI-UHFFFAOYSA-N 390.374 4.272 0 1 GIAF COc1cccc(O[C@H](C)[C@]2(C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c1 962629639 HZVZXYWTNQZUJQ-CKNGIIGNSA-N 385.504 4.272 0 1 GIAF COc1cc2c(cc1OC)[C@](C)(C[C@H](CC(=O)O)c1ccccc1)N(C)[C@@H](C)C2 962630071 RQDLGPJUFHXGRW-UXSWERMXSA-N 397.515 4.444 0 1 GIAF Cc1ccc([C@@]2(c3cc(F)cc(F)c3)NCCc3c(C(=O)O)cccc32)cc1 963131663 NJLFQLCKNGTVJJ-QHCPKHFHSA-N 379.406 4.409 0 1 GIAF Oc1ccc2c(c1)[C@@H](c1c(Br)cccc1N1CCCCC1)NCC2 963350811 DQMDQTAPJRMTPS-FQEVSTJZSA-N 387.321 4.380 0 1 GIAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@@H]2O)c1 775594 WHVRMCSYDKQLNB-IRXDYDNUSA-N 386.492 4.071 0 1 GIAF c1cc2c(cc1C1=NCCN1)c1cc(C3=NCCN3)ccc1n2CC1CCCCC1 1660296 ULJWILIIJVNXTE-UHFFFAOYSA-N 399.542 4.074 0 1 GIAF C[C@]12C[C@@H](NC(=O)N1c1cccc(F)c1)c1cc(Br)ccc1O2 2498608 TYWAYISRHDWHOJ-PBHICJAKSA-N 377.213 4.358 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC=C2C3=C(C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1CC3 33820901 MQYPMJSEDOYFPM-UEQLBJJHSA-N 388.548 4.462 0 1 GIAF CC(C)CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccncc3)=NN12 38147844 IQWJWMITZOKUAX-OAQYLSRUSA-N 376.504 4.073 0 1 GIAF O=C(NCCCn1ccnc1)Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12 49113273 FTWXVTCCWCYEGS-UHFFFAOYSA-N 394.866 4.292 0 1 GIAF CCCCNC(=O)c1cnc(NCc2ccccc2)nc1-c1ccccc1F 82151137 QMJIZQISEWZMKQ-UHFFFAOYSA-N 378.451 4.425 0 1 GIAF COC(=O)c1cc(Br)cc(N2CCCc3cc(OC)ccc32)c1 96910989 ORBAISZLWSRHJS-UHFFFAOYSA-N 376.250 4.329 0 1 GIAF O=C(OCCCF)[C@H]1[C@@H]2CC[C@@H](C[C@@H]1c1cccc(/C=C\Br)c1)N2 101174749 VKZWZSZGPDLBNV-IQUHWFRJSA-N 396.300 4.179 0 1 GIAF CC[C@@H](COC)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 139250283 UOESUKBSGSBKBL-INIZCTEOSA-N 392.459 4.167 0 1 GIAF O=C(O)[C@H]1CCCN(CCO/N=C/c2ccccc2-c2ccccc2Cl)C1 147058799 RLBJEADRKYHHKZ-QIWJOQEQSA-N 386.879 4.154 0 1 GIAF CCC(=O)c1sc(-c2ccncc2)c(C)c1-c1ccc(S(N)(=O)=O)cc1 149116484 KFUHVDWLMBKIEX-UHFFFAOYSA-N 386.498 4.026 0 1 GIAF O=C(OC/C=C/c1ccccc1)C1=CN=C[C@@H](C(=O)O)[C@H]1c1ccc(Cl)cc1 169727732 HGYLJEUCJOQPCM-WESDXNOOSA-N 395.842 4.349 0 1 GIAF CC(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12CCOc1ccccc12 200383048 YRLNTHMQFJTNJT-HXUWFJFHSA-N 388.439 4.493 0 1 GIAF CCOC(=O)c1cc(-c2cccc(OC(=O)NC3CCCCC3)c2)n(CC)n1 299861194 KUEOZRJXPXGGPQ-UHFFFAOYSA-N 385.464 4.168 0 1 GIAF Cc1cnc(Cl)c2[nH]c(-c3nnn(Cc4cccc(F)c4)c3Cl)nc12 587161351 MYVSRIHTJBBFAA-UHFFFAOYSA-N 377.210 4.019 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(F)c(F)cc1Br)[C@@H](C2)C3=O 587424740 UBQRLGXQKCAJCL-DYZYQPBXSA-N 381.172 4.225 0 1 GIAF C[C@@]1(c2ccccc2-n2ccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577105 MBVJQBAYXUJSTI-QPPBQGQZSA-N 398.418 4.455 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cn2ccnc2)c1 587578605 RJTIUINMAIFIPG-QPPBQGQZSA-N 398.418 4.340 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-n1cccn1 587583750 XLBZNWNUAFIJMN-NFBKMPQASA-N 384.391 4.281 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ncon2)c1 587592968 ZSDBJOFYMWDFLA-GHTZIAJQSA-N 386.363 4.145 0 1 GIAF CC(=O)COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587597076 RXRIFICUFJLKAQ-NFBKMPQASA-N 390.391 4.063 0 1 GIAF C[C@H](Oc1ccccc1O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597151 SXAGNXAZAFGUJM-IUZBSBKLSA-N 392.407 4.286 0 1 GIAF COCCn1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587753403 VQVQHGQBEWTVMC-JEOXALJRSA-N 395.316 4.277 0 1 GIAF CCCCc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587776522 XRAXOHAOENAKTP-VOJFVSQTSA-N 378.289 4.344 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C(F)(F)F)n(CC)n1 587870869 KIQQQJQLQSLQDM-UHFFFAOYSA-N 396.344 4.012 0 1 GIAF CC(C)c1nccn1C(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 621431826 PGJHDVLJBIWRSV-UHFFFAOYSA-N 381.386 4.342 0 1 GIAF O=C1COc2ccc(CN3c4ccccc4COc4cc(F)ccc43)cc2N1 653719131 YIJXPXUAVWVXFR-UHFFFAOYSA-N 376.387 4.387 0 1 GIAF COC(=O)C[C@@H]1Cc2ccccc2[C@H](CN2CCC(c3ccccc3)CC2)O1 653831374 HAQITYSWNHBQMT-GMAHTHKFSA-N 379.500 4.112 0 1 GIAF CC1CCN(CCCOc2ccc(=O)n(-c3ccc(Cl)c(Cl)c3)n2)CC1 653883152 QYKKEQJSEFVPEQ-UHFFFAOYSA-N 396.318 4.040 0 1 GIAF NC(=O)N1CCc2sccc2[C@@]12CC(=O)C[C@H](c1c(F)cccc1Cl)C2 962717585 ULRFGNPTGWPTOR-JEOXALJRSA-N 392.883 4.210 0 1 GIAF Cc1ccnc([C@@]2(c3cccc(Cl)c3)NCCc3c2c(C(C)C)nn3C)c1 962913144 QTIAECQWWGNBPL-JOCHJYFZSA-N 380.923 4.338 0 1 GIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1cn2cccc(Br)c2n1 963093806 BCCAIYDLLJNHRM-KSSFIOAISA-N 386.268 4.346 0 1 GIAF CC(C)(C)OC(=O)Nc1ccc2c(c1)CC[C@]21NCCc2c(C(=O)O)cccc21 963130589 KNYCYRUTOVVWTD-QHCPKHFHSA-N 394.471 4.067 0 1 GIAF CCCc1ccc(S(=O)(=O)Oc2ccc3c(C)c(Cl)c(=O)oc3c2)cc1 1772630840 VXNNRHJPEAHNPC-UHFFFAOYSA-N 392.860 4.475 0 1 GIAF COc1ccc(NC(=O)C2CCN(c3ncccc3Cl)CC2)cc1Cl 1857595387 ZXXPLNUJIZVPBG-UHFFFAOYSA-N 380.275 4.252 0 1 GIAF CCCCN(CC)S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 1533862 WAVHRLJSNDHLDQ-UHFFFAOYSA-N 383.558 4.422 0 1 GIAF C[C@@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O 3977833 GDUPBUZZJUIEDX-YDBZGQDJSA-N 378.512 4.453 0 1 GIAF in-vitro Cc1ccc(C(=O)Nc2ccccc2Oc2ccc(C(=O)O)c(C(=O)O)c2)cc1 13580644 CBORRFNDQRODST-UHFFFAOYSA-N 391.379 4.436 0 1 GIAF Cc1nc2cnccc2n1CC1CCN(C(=O)C[C@@H](C)c2ccccc2)CC1 13745817 SYYCMHDHRQGFOI-QGZVFWFLSA-N 376.504 4.172 0 1 GIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccncc1 26576889 XDRWPNFSYGIPSG-HXTJDARSSA-N 392.455 4.420 0 1 GIAF NC(=O)c1cccc(N(CC2CCCC2)C(=O)Nc2ncc(Cl)s2)c1 28131218 VYUDJKSROHWXHU-UHFFFAOYSA-N 378.885 4.124 0 1 GIAF NC(=O)c1ccc2c(ccn2CC(=O)COc2cccc(-c3ccccc3)c2)c1 49051653 TXUOLNJQCMQLAI-UHFFFAOYSA-N 384.435 4.055 0 1 GIAF O=C(NCC1CCCCC1)c1cnc(NCC2CC2)nc1-c1ccccc1F 82150770 XDSIDSOYMHVBBV-UHFFFAOYSA-N 382.483 4.415 0 1 GIAF COc1c(C)cnc(Cn2cc(-c3ccccc3)c3c(Cl)nc(N)nc32)c1C 95562118 AMAPWHCRXIPWMV-UHFFFAOYSA-N 393.878 4.403 0 1 GIAF Cc1c(Cl)cccc1C(=O)N1CCC[C@H](c2nnc(-c3ccccc3)n2C)C1 95588338 UKHNCXRCTKFFPA-KRWDZBQOSA-N 394.906 4.464 0 1 GIAF CCOc1cc2nnnc(Nc3cccc(OC(F)(F)F)c3)c2cc1OC 103295869 FZKFTSFWCCWBLQ-UHFFFAOYSA-N 380.326 4.074 0 1 GIAF Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC(C)C)cn1 114047004 QXXHRDARSLCBQO-UHFFFAOYSA-N 385.851 4.416 0 1 GIAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1ccn(C(C)C)n1 118708116 RHTFFMMXKNKBMM-UHFFFAOYSA-N 398.463 4.070 0 1 GIAF CCCCCCN1C[C@@H](O)[C@@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(C)cc1 169332227 SKSCWLKHHLXXKL-XPWALMASSA-N 382.552 4.393 0 1 GIAF CCCCn1c(O)c2n(c1=O)[C@H](c1ccsc1)c1[nH]c3ccccc3c1C2 169717804 PADIBLGXMWVAEN-LJQANCHMSA-N 379.485 4.240 0 1 GIAF O=C1NC(=O)/C(=C/c2ccc(OCCNc3nc4ccccc4s3)cc2)S1 209333675 WSMOTVLPHXFLIL-WJDWOHSUSA-N 397.481 4.111 0 1 GIAF COc1ccc2c(c1)cc1n2C(C)(C)CN2C(=O)c3cc(F)ccc3N(C)[C@@H]12 222002086 WJYRHFGICQHXFN-HXUWFJFHSA-N 379.435 4.129 0 1 GIAF O=C(O)c1cc(Br)cc2nc(-c3ncccc3C(F)(F)F)[nH]c12 587109140 UBJJXFQSCYKDGL-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)cc2N1 587124519 BEPYVINKEJORGT-CDUCUWFYSA-N 391.184 4.436 0 1 GIAF O=C(c1nc2nc(C(F)(F)F)ncc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133255 NGUUPEXOBAAKKG-UHFFFAOYSA-N 379.100 4.049 0 1 GIAF Nc1cccc2c1OCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341515 ZAFOPNNDEWGMAH-NFBKMPQASA-N 391.398 4.150 0 1 GIAF CC(C)CCOC(=O)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352345 WZLWNYJYJSMJMJ-SIKLNZKXSA-N 386.419 4.238 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nn(-c4ccccc4)nc31)CC2=O 587474321 DYAFTHLHZKLUQU-QHCPKHFHSA-N 389.455 4.122 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)c3cccc(C(=O)OC)c13)CC2=O 587477101 UMBHAEIVLUPLFU-FQEVSTJZSA-N 393.439 4.330 0 1 GIAF O=C1C[C@@]2(CCNc3nc(Br)ccc32)Oc2c1ccc1c2CCCC1 587495908 GSONVTKRUKQVIV-HXUWFJFHSA-N 399.288 4.399 0 1 GIAF Cc1nn(C)c(OCC(F)(F)F)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502651 APXPWMOJTMZCLE-INIZCTEOSA-N 394.393 4.255 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nccn1-c1ccccc1 587574001 ADGHNXXTIXHZBK-SIKLNZKXSA-N 384.391 4.281 0 1 GIAF O=C(O)CC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601369 CZQKPHRNIUIWJW-NFBKMPQASA-N 390.391 4.114 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(=O)C(F)F)c2c1 587648792 AXMNWWVZLDQGIT-UHFFFAOYSA-N 383.803 4.340 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(F)F)([C@@H]2CCCCC2=O)N1 587720213 SDRZZLPGJKFVAU-BHOZQUNFSA-N 390.243 4.342 0 1 GIAF COc1cc(F)c(F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587722720 ZROBIYAJDIXOKA-CQLKUDPESA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccccc2)N1 587740723 KGTIXKPFPDRISJ-NQTOKDONSA-N 389.312 4.441 0 1 GIAF CCCn1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587757106 MVJXHIHTGMAGLU-VOJFVSQTSA-N 380.305 4.301 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)c1ccccc1N[C@@H]2C 587797981 UCLSMGVVGYNACF-XCJKDKRRSA-N 389.268 4.015 0 1 GIAF COC(=O)c1csc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587846087 GMDNEVLXKIDCJJ-XYZCENFISA-N 398.297 4.234 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc(C(=O)O)c1 587866352 YUWAGYPLEHUCNU-UHFFFAOYSA-N 377.322 4.050 0 1 GIAF COc1ccc2cc(C(=O)C[C@]3(C)NCCc4c(C(=O)O)cccc43)ccc2c1 963115629 ALVOQOSIYSNLFG-DEOSSOPVSA-N 389.451 4.181 0 1 GIAF N#CN1CC(OCc2ccc(-c3ccc4c(c3)OCO4)cc2)(c2ccccc2)C1 1911574429 ZXODXOZCUBULBX-UHFFFAOYSA-N 384.435 4.291 0 1 GIAF CC1=CC[C@@H]2[C@H](C=C[C@@H]3[C@H](C)C=CC=C[C@H](C)OC(=O)C[C@@H](O)CC(=O)[C@@H]32)C1 2356805833 ZYCLTPPGAOTOGR-HEBCWAPVSA-N 384.516 4.165 0 1 GIAF CC=CC(=O)N(CCCC)[C@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356874474 YWKFZTFSYLWFKD-QHCPKHFHSA-N 394.515 4.258 0 1 GIAF CCC(C)(C)n1nnnc1[C@H](c1ccc2ncccc2c1)N1CCC[C@H](C)C1 4230631 CGJMHQXJKFOQGH-JXFKEZNVSA-N 378.524 4.188 0 3 GIAF CC(C)(C)CNC(=O)[C@]1(C)CCN1C(=O)c1ccccc1CCc1ccccc1 61903360 BLLQJXUTWQKOED-VWLOTQADSA-N 392.543 4.239 0 3 GIAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773458 IFIXQTMOIFWLKH-RDTXWAMCSA-N 382.435 4.285 0 1 GIAF CC[C@H](O)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 774691 SXCDCQPVGOEHGT-LBPRGKRZSA-N 376.865 4.224 0 1 GIAF O=C(Nc1c(F)cccc1F)[C@H]1C(=O)N2c3ccccc3Cc3cccc1c32 26162968 XBCIWSCYISQLSH-SFHVURJKSA-N 376.362 4.270 0 1 GIAF CC[C@@]1(CCCCN2CCN(c3ccccc3)CC2)C(=O)Nc2ccccc21 29053001 RZMXKHIEINISHR-DEOSSOPVSA-N 377.532 4.279 0 1 GIAF Cc1cc(NC(=N)N)cc(C)c1-c1ccc(-c2c(C)cc(NC(=N)N)cc2C)o1 29468587 WNCYRFZZXOZFCX-UHFFFAOYSA-N 390.491 4.458 0 1 GIAF COc1ccc2cc(/C=N/n3cnc4sc5c(c4c3=O)CCCC5)ccc2c1 44393238 OMUBLCCQOBJUQO-WYMPLXKRSA-N 389.480 4.381 0 1 GIAF Cc1cc(Oc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc(C(F)(F)F)c1 45373604 GLTYUVHJUPCRDF-LBPRGKRZSA-N 382.363 4.095 0 1 GIAF O=c1[nH]c2ccc(OC3CCN(c4ccccc4)CC3)cc2c2c1CSCC2 49067006 FSHJFMGSDNUDQO-UHFFFAOYSA-N 392.524 4.365 0 1 GIAF O=C(CN1CCN(C2c3ccccc3-c3ccccc32)CC1)Nc1ccccc1 69519447 NZHAFHZFBGLKAF-UHFFFAOYSA-N 383.495 4.013 0 1 GIAF C[C@@H](Oc1cc(=O)oc2ccccc12)C(=O)NC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 95573744 FPELOZBZQOVRQQ-LRLBTOSISA-N 395.499 4.426 0 1 GIAF O=C(Nc1nc(C(F)(F)F)cs1)c1cc(F)cc(Oc2cncnc2)c1 96938935 QFGZDSNEPZPSFG-UHFFFAOYSA-N 384.314 4.136 0 1 GIAF CC(C)c1ccc(NC(=O)C[C@@H]2C(=O)OC(C)(C)CN2c2ccccc2)cc1 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N=c1cc[nH]cc1[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330548 BXDCOGGQVCZCDN-GMAHTHKFSA-N 390.414 4.003 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(F)cc1Br)O2 587384241 CBLFDGRBIQLRAO-SFHVURJKSA-N 378.241 4.445 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OC(F)F)OCO3)CC2=O 587466154 MHGFTBKMVRAMPP-OAHLLOKOSA-N 392.354 4.381 0 1 GIAF COC(=O)[C@H](C)[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522800 HTROTWADSVZFPK-FYSMJZIKSA-N 378.468 4.321 0 1 GIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1F 587558110 PYCMBWCGPBNBRH-NQIIRXRSSA-N 384.334 4.382 0 1 GIAF C[C@@]1(c2ccc3nc(O)oc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585900 IHDRFVAUPUVMQF-GCJKJVERSA-N 389.363 4.116 0 1 GIAF COC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587591709 HIKYKOGLBDNMKT-CVDCTZTESA-N 390.391 4.056 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CSCc1ccccc12 587619183 RFTCKUMUTWQWJG-DENIHFKCSA-N 376.433 4.496 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCO)(c2ccc(F)cc2)N1 587733004 PKQGTRIHMOIKLS-BUXKBTBVSA-N 396.275 4.278 0 1 GIAF COc1ccc(O)cc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805329 FXOUCBNNRDCBKW-YPMLDQLKSA-N 380.257 4.100 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(C(=O)O)C3(C)C)N1 587827608 LDHXACJSJXZDFV-UDYRRMRCSA-N 396.300 4.229 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cncnc1C 587858952 QPHIHLIUSRKBCC-UHFFFAOYSA-N 377.231 4.043 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2csc(COc3ccc(F)cc3F)n2)cc1 587923710 GWDHGNYWMFLRRC-UHFFFAOYSA-N 396.440 4.039 0 1 GIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587927379 PUGVKMXPKKSFOR-AWEZNQCLSA-N 380.423 4.447 0 1 GIAF Cc1c(F)ccc2c1[C@H](c1ccc(CCNC(=O)OC(C)(C)C)cc1)NCC2 962093813 RIOKBUAHZXZTAX-NRFANRHFSA-N 384.495 4.436 0 1 GIAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2c1cc2c(s1)CCOC2 962701547 LHHIECLOBFVMSV-XOBRGWDASA-N 375.534 4.413 0 1 GIAF Cc1ccc2c(c1)[C@]1(CC(C)(C)O2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962732177 XPZBRDUFEQOERW-DYESRHJHSA-N 389.417 4.445 0 1 GIAF C[C@@]1(C2CCSCC2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962931959 ZQRWKKIYKLXFKU-UNMCSNQZSA-N 399.512 4.142 0 1 GIAF O=C(c1cccs1)[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963650 YHUPSJKMUPIEKR-MRXNPFEDSA-N 381.419 4.342 0 1 GIAF Cc1cc(C)c([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cn1 963180341 PWLFEMNDKGRSHD-HZPDHXFCSA-N 384.785 4.059 0 1 GIAF Cc1cc2c(cc1O)[C@H](c1ccc(-c3cccc(Cl)c3)o1)N[C@H](C(=O)O)C2 963473107 QXKJVQQASCDOEN-OXJNMPFZSA-N 383.831 4.302 0 1 GIAF Cc1cc2c(cc1O)[C@@](C)(c1cc(F)c(Cl)cc1Cl)N[C@H](C(=O)O)C2 963487772 DFBQQYSCMYLTLS-YJBOKZPZSA-N 384.234 4.009 0 1 GIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2cccc(C)c2)C(=O)OC)cc1 1772585179 GNJONKFJXUTEEH-WZONZLPQSA-N 397.515 4.383 0 1 GIAF FC(F)(F)c1ccc(-c2cn(Cc3ccc(-c4cncnc4)cc3)nn2)cc1 1857550493 WMMIWDCIFRAQFR-UHFFFAOYSA-N 381.361 4.469 0 1 GIAF COCCN1CCc2cc(OC)c(OC)cc2[C@H]1CCc1c[nH]c2ccccc12 1857576411 DBUHXWMFOUQOQF-JOCHJYFZSA-N 394.515 4.364 0 1 GIAF CC(=O)[C@@H]1C[C@H](O)[C@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@@H]4CC3)CC[C@]12C 2356445465 CFKGOPCMHMUILV-PYQVSTMHSA-N 384.516 4.287 0 1 GIAF CC(C)(C)c1ccc(S(=O)(=O)c2c(C(N)=O)[nH]c3ccc(Cl)cc23)cc1 3654273 ZSFZVBXXRRWRJB-UHFFFAOYSA-N 390.892 4.051 0 1 GIAF CCc1nc2c(C)cc(C)nc2n1-c1ccc(-c2ccccc2-c2nn[nH]n2)cc1 5115200 ZXLFZNWBWMYLDB-UHFFFAOYSA-N 395.470 4.447 0 1 GIAF CN1C(=O)c2ccccc2Sc2ccc(NC(=O)NCc3ccco3)cc21 6795960 NZAOLICCWFQBIQ-UHFFFAOYSA-N 379.441 4.343 0 1 GIAF O[C@H](CNCCc1ccc(Cl)c(Cl)c1)COc1cccc2[nH]ccc12 29320748 FNHLGFFPSBEAAM-CQSZACIVSA-N 379.287 4.047 0 1 GIAF COC(=O)c1ccc(C[C@H](C)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)cc1 45193524 PCVBSISVQDHZPQ-KPZWWZAWSA-N 382.287 4.034 0 1 GIAF COC(=O)c1ccc(CN2C(=O)[C@]3(CC(C)=CC[C@@H](C)O3)c3ccccc32)cc1 66166180 RYTDUGHGAARXLL-OSPHWJPCSA-N 391.467 4.361 0 1 GIAF Cc1ccccc1-c1nc(C(=O)N[C@H](C(=O)NCC2CCCCC2)C(C)C)co1 82070009 OCVCQYYBEPECMT-FQEVSTJZSA-N 397.519 4.101 0 1 GIAF CCCS(=O)(=O)Nc1ccc(F)c(CNc2cnc3ccccc3c2)c1F 113486819 UBXTYZPKAFSYPY-UHFFFAOYSA-N 391.443 4.277 0 1 GIAF CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4nccc(OC(C)C)n4)c3c2)o1 204780001 WPQVIQXQVLVSIJ-UHFFFAOYSA-N 378.436 4.282 0 1 GIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](C(=O)C(F)(F)F)CC3 586986266 KEIKGAOQYPSDAB-LBPRGKRZSA-N 383.325 4.313 0 1 GIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(F)c(F)c(F)c2[nH]1 587044032 XJOJPJQLASPJCO-LLVKDONJSA-N 383.782 4.289 0 1 GIAF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2ncnc(Cl)c2[nH]1 587092020 QKNDVUKDCVTKQU-UHFFFAOYSA-N 397.666 4.028 0 1 GIAF C[C@]1(c2nc3cc(F)cc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 587154022 BNMVTXLRKFYXDL-QGZVFWFLSA-N 392.203 4.395 0 1 GIAF CCOC(=O)C(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364255 ZELQJYSEMMGRII-UHFFFAOYSA-N 389.407 4.331 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(NC(=O)C(C)(C)C)ccnc1Cl)O2 587378195 ALRLIGFPAUNGKW-OAHLLOKOSA-N 387.867 4.317 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccccc2)Nc2ccccc21 587401195 QSDZCTPOUVOZFT-QPPBQGQZSA-N 384.435 4.174 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCCN(Cc4ccccc4)C1(C)C)[C@@H](C2)C3=O 587445770 YAHPOKJRPDVVQR-YADARESESA-N 377.484 4.256 0 1 GIAF C[C@]1(c2c(N)cc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557194 MIUONSJIFQCPJC-WIYYLYMNSA-N 383.350 4.130 0 1 GIAF CC(C)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568399 CGFPZIZJOGVDTJ-QPPBQGQZSA-N 389.451 4.247 0 1 GIAF CCN(CC)[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587573651 UCFLZGZIOPPVKC-QTEQDKRBSA-N 381.472 4.377 0 1 GIAF Cc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(O)c1 587656512 MFLNVMSOAWBQMQ-UHFFFAOYSA-N 392.361 4.044 0 1 GIAF CCOC(=O)C1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587792288 BIDNCMYLFLQXAN-VQQRXRCHSA-N 384.289 4.071 0 1 GIAF C[C@@H]1Nc2ccccc2C(=O)[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587797978 UCLSMGVVGYNACF-RMDKCXRXSA-N 389.268 4.015 0 1 GIAF CCOC(=O)C1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CCCC1 587798044 NPDYMXYRJDZCFE-KZULUSFZSA-N 398.316 4.461 0 1 GIAF COc1ccc2c(c1)[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808629 OARYKOPVUMACNN-JEOXALJRSA-N 376.269 4.321 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc4c(cc32)OCO4)N1 587836581 AMZAOMMVFPCDDK-GIGQVBGESA-N 390.252 4.041 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCn1ccc(C)n1 587865542 AXBJBLSXDVFSEO-UHFFFAOYSA-N 392.381 4.203 0 1 GIAF COc1cccc(C2(c3nc4ccc(CN5CCOCC5)cc4[nH]3)CCCC2)c1 587933584 RLESNJWMHZLEDT-UHFFFAOYSA-N 391.515 4.264 0 1 GIAF COC(=O)c1cc(OC)n(-c2cc(OC(C)C)c(Cl)cc2Cl)c1OC 587942837 BVORWPVXXFYVRR-UHFFFAOYSA-N 388.247 4.375 0 1 GIAF Cc1cc(C)c(CNC(=O)c2ccc3cnn(C4CCCC4)c3c2C)c(O)n1 653716371 WEIMXAIORJYAGU-UHFFFAOYSA-N 378.476 4.107 0 1 GIAF CC(C)(C)OC(=O)NCC1CC2(C1)c1ccsc1CCN2Cc1cccnc1 962996205 OEXWMJINDPCJSM-UHFFFAOYSA-N 399.560 4.331 0 1 GIAF Cc1ccc(CN2CC[C@@H](N3CCC[C@@H](c4ccc(O)cc4)CC3)C2=O)cc1 1772571622 ZAIRIUOUQPUAPE-NFBKMPQASA-N 378.516 4.071 0 1 GIAF NC(=O)CCc1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)o1 1857751524 CRLAYUSFPXSOIC-UHFFFAOYSA-N 377.448 4.047 0 1 GIAF C[C@](O)(CCCCCCCCCc1ccc(O)cc1)C[C@]1(C)OC(=O)C[C@H]1O 2356570310 DIFCTNZAEJDHLR-PUHATCMVSA-N 392.536 4.263 0 1 GIAF CO[C@@]1(c2cc(O)ccc2O)C=C(CCC=C(C)CCC(=O)C(C)C)C(=O)O1 2356804062 AAKOJKILQYULNF-QFIPXVFZSA-N 388.460 4.112 0 1 GIAF CC(C)(C)OC(=O)n1c(-c2ccccc2F)cc(=O)c2cc3c(cc21)OCO3 1862585 UJPVNVLPJKZMFZ-UHFFFAOYSA-N 383.375 4.320 0 1 GIAF CCc1ccc([C@@H]2C[C@@H](c3ccc(OC)c(OC)c3OC)n3ncnc3N2)cc1 2915274 DGPGFLRIXBIHMU-ROUUACIJSA-N 394.475 4.013 0 1 GIAF CS(=O)(=O)c1ccc(-c2cc3c(cc2-c2cc(F)cc(F)c2)OCO3)cc1 13530509 PPIWSMZEIPSNKJ-UHFFFAOYSA-N 388.391 4.431 0 1 GIAF O=C(c1cccc2c1CCCC2)c1cn(CCN2CCOCC2)c2ccccc12 13742614 PABJHIVGIYJMDA-UHFFFAOYSA-N 388.511 4.083 0 1 GIAF COC(=O)C(C)(C)CCCOc1cccc(OCCCC(C)(C)C(=O)OC)c1 25975399 OABXDLNGUPEUEN-UHFFFAOYSA-N 394.508 4.403 0 1 GIAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)O2 26636918 IXQQMWIAXLMOHP-IYWMVGAKSA-N 388.410 4.180 0 1 GIAF CC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCCN(CCCc2ccccc2)C1 27207302 KTFDVFAZYXCZBS-OAQYLSRUSA-N 394.515 4.147 0 1 GIAF C[C@@]1(Cc2ccccc2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 27649348 GUZCUPSFMWJUAV-LJQANCHMSA-N 379.239 4.445 0 1 GIAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ccoc2-c2nnn[nH]2)cc1 36222115 UWWOPANPOCZKKA-UHFFFAOYSA-N 399.458 4.099 0 1 GIAF Cc1noc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)n1 38215133 DNZVZJABDLWHPR-UHFFFAOYSA-N 376.441 4.350 0 1 GIAF CCOC(=O)c1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 45196394 MEPOOKVQDJKKOW-AUUYWEPGSA-N 395.421 4.136 0 1 GIAF COCCn1c(-c2ccsc2)nc2c(NCc3ccc(Cl)cc3)ncnc21 82184979 IVSWDRLOLIBGTD-UHFFFAOYSA-N 399.907 4.467 0 1 GIAF CCCn1c(=O)c(NCCC(C)(C)C)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82208936 HOHGQYMWOGWNKF-KRWDZBQOSA-N 390.572 4.033 0 1 GIAF O=C(C1CCCCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2cccc(F)c2)cc1 100101705 CQZULIQLCVWXNS-NUNAXRQHSA-N 378.491 4.339 0 1 GIAF CC(C)(C[C@@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O 103250766 RCQVRWJFEKOHOS-SFHVURJKSA-N 397.372 4.006 0 1 GIAF CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C1(O)CCCCC1)/C=C/C=C/3CO 169296450 JDSAJKMBHSVGSW-HGVRIAIQSA-N 386.532 4.177 0 1 GIAF CCOC(=O)[C@H]1C(=N)Oc2ccc3ccccc3c2[C@@H]1c1ccc(O)c(OC)c1 169691588 XGKFCEKWCZLJTM-PZJWPPBQSA-N 391.423 4.235 0 1 GIAF CC1=N[C@@]2(N=C1N)c1cc(-c3ccc(F)c(Cl)c3)ccc1CC21CCOCC1 169708590 YUFMOSSQCPKPCP-JOCHJYFZSA-N 397.881 4.484 0 1 GIAF Clc1cccc(-c2nc3nc(N4CCO[C@H](c5ccccn5)C4)ccc3[nH]2)c1 221405014 HVBRFFAPOFXNQE-SFHVURJKSA-N 391.862 4.251 0 1 GIAF C[C@@H](Sc1nnc(-c2ccncc2)s1)C(=O)Nc1ccccc1Cl 473082469 IAYRACGQZBSSTF-SNVBAGLBSA-N 376.894 4.373 0 1 GIAF Cc1cc(C)c2[nH]c(CCNS(=O)(=O)c3c(Cl)cccc3Cl)nc2c1 586943391 UNAWNLJTPXAPQV-UHFFFAOYSA-N 398.315 4.008 0 1 GIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586973429 OENWNJCKJFEXOL-ZDUSSCGKSA-N 395.315 4.375 0 1 GIAF COC(=O)c1cc2[nH]c(-c3cc(Br)ccc3Cl)nc2cc1OC 586980349 PVKHQFCEIXTGNA-UHFFFAOYSA-N 395.640 4.441 0 1 GIAF Cc1cccnc1NC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987871 TYMQRPLNQAWXHK-UHFFFAOYSA-N 395.418 4.036 0 1 GIAF Sc1nnc(SCc2nc3cc(Cl)cc(Br)c3[nH]2)s1 587025228 JRKUOOUWAYQJCB-UHFFFAOYSA-N 393.744 4.411 0 1 GIAF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(C(N)=O)cc3[nH]2)c1 587159726 VNBYXJXNUIXCGW-UHFFFAOYSA-N 375.403 4.067 0 1 GIAF COC(=O)c1cccc(-c2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)c1 587394055 PXCSGRLITNUOES-NRFANRHFSA-N 388.423 4.132 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCN(Cc3cccc(F)c3)CC1)CC2=O 587467737 QZSNPMSMEUWCAE-UHFFFAOYSA-N 383.463 4.484 0 1 GIAF COc1ncc(Cl)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551095 CVEOMFQUFZPTRV-VQIMIIECSA-N 383.787 4.152 0 1 GIAF CNc1cc(Cl)ncc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551772 JLHAFMFCUWKTTL-PXNSSMCTSA-N 382.803 4.185 0 1 GIAF Cn1nc(C(C)(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580782 JGDSKJCXVPVNPI-WIYYLYMNSA-N 378.428 4.126 0 1 GIAF CN1CCC[C@@H]1[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581375 HGBWANQOFNQSNV-OPNQQPSUSA-N 393.483 4.377 0 1 GIAF Cc1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587597934 WTWJODCZEPPUNG-XMSQKQJNSA-N 388.379 4.387 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C[C@@H]1CCCCC12OCCO2 587606418 CJKYWWLZXOVUKV-BEVDRBHNSA-N 396.439 4.046 0 1 GIAF O=C(c1ccc(F)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655700 ONKFSRRQCJEMQR-UHFFFAOYSA-N 380.325 4.169 0 1 GIAF COc1cc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722400 YSRFOGGBOKDLGZ-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccco3)n(C)n2)N1 587762864 GNIIXULUZHSFLD-YPMLDQLKSA-N 390.256 4.205 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587792724 CMLYUDAARVBYRY-FMTVUPSXSA-N 384.289 4.071 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2COC3(CCCCC3)O2)N1 587838439 BKDWNGOJJHSDIC-FABXCBLPSA-N 384.289 4.239 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCN(C)C)(c2cccs2)N1 587846106 GPSPJCGYIWNINH-KZULUSFZSA-N 397.357 4.379 0 1 GIAF CCC(=O)[C@H](CCC(=O)OC)[C@@]1(CC)NCCc2c(Cl)cc(Cl)cc21 963119720 HQGNANSKDWMQKD-IFXJQAMLSA-N 386.319 4.293 0 1 GIAF C[C@@]1(c2nc3ccccc3n2Cc2ccccc2)NCCc2c(C(=O)O)cccc21 963130578 KCFAPVMVGINDIK-RUZDIDTESA-N 397.478 4.192 0 1 GIAF CCOc1ccc(Cl)cc1[C@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963220655 IFSSRRLJUDFZOX-UGKGYDQZSA-N 396.874 4.149 0 1 GIAF Oc1ccc2c(c1)[C@@](c1cc(F)ccc1Br)(C(F)(F)F)NCC2 963340391 GUDLFEUFDUYMPT-OAHLLOKOSA-N 390.174 4.245 0 1 GIAF CC(C)(O)Cn1c(NC(=O)c2cccc(-c3cccnc3)c2)nc2ccccc21 1857545872 MHBOZNIUOZGNHA-UHFFFAOYSA-N 386.455 4.122 0 1 GIAF CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Cc1ccc2c(c1)CCC(C)(C)O2 2356577857 UYNFAJIZQWJGJC-SFTDATJTSA-N 384.564 4.056 0 1 GIAF CNC(=O)N1Cc2c(ccc([C@@]3(C)CCCC(C)(C)C3)c2[C@H](C)C(=O)O)C1=O 2356805261 ZQQLQLZNBHFWAS-XMHCIUCPSA-N 386.492 4.028 0 1 GIAF CCOc1cc(CCNC(=O)c2c(-c3ccccc3F)noc2C)ccc1OC 775355 VOIUJRQAXBTYGM-UHFFFAOYSA-N 398.434 4.169 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCN(CC)CC 4213530 XKGDQYSIXZJRGE-MOPGFXCFSA-N 379.570 4.220 0 1 GIAF C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(C(=N)N)c(F)cc3[nH]2)c1O 5890661 CMCDWLMEDRBWIR-GTNSWQLSSA-N 382.439 4.316 0 1 GIAF in-vivo COc1cc(-c2oc3cc(OCC=C(C)C)cc(O)c3c(=O)c2OC)ccc1O 14779781 SOFOHQOMTJOUFP-UHFFFAOYSA-N 398.411 4.233 0 1 GIAF biogenic CCCCC(C)(C)[C@@H](O)/C=C/[C@H]1CCCC(=O)N1CCSCCCC(=O)O 28477012 YDLAYOPDBXENMD-HGFSOSMJSA-N 399.597 4.099 0 1 GIAF CCOc1cc(CN2CCC(Nc3nc4ccccc4s3)CC2)ccc1O 28827108 WUCQCYLIHDOYIX-UHFFFAOYSA-N 383.517 4.477 0 1 GIAF CCOC(=O)c1c[nH]c(C(=O)c2ccc(OC)cc2)c1-c1ccc(OC)cc1 29124299 AJIFVRSNJBSEGY-UHFFFAOYSA-N 379.412 4.107 0 1 GIAF Cc1cccc(NC(=O)Nc2ccc(Cc3nsc4ncnc(N)c34)cc2)c1 36338866 ULCYWFOSWKVQOP-UHFFFAOYSA-N 390.472 4.212 0 1 GIAF O=S(=O)(CCC(F)(F)F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 40504969 CQUSYCYPMXBFNQ-UHFFFAOYSA-N 380.391 4.470 0 1 GIAF c1ccc2c(c1)CC(Nc1cc3c(NC4Cc5ccccc5C4)ncnc3cn1)C2 40896632 PGMMCYICINXNRP-UHFFFAOYSA-N 393.494 4.183 0 1 GIAF Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)cc(F)cc2[nH]1 43175814 KYERXDDXJNCIFV-UHFFFAOYSA-N 396.514 4.310 0 1 GIAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccccn2)cs1 43201322 BOUYMYAAZCWWFQ-LJQANCHMSA-N 379.485 4.338 0 1 GIAF O=c1cc(NCCCNCc2ccc(C(F)(F)F)c(F)c2)[nH]c2ccccc12 45190438 QJPHMGVVSFVKGT-UHFFFAOYSA-N 393.384 4.278 0 1 GIAF CC(C)CN(C)C(=O)c1cnc(N2CCC(C)CC2)nc1-c1ccc(F)cc1 82139310 XHISQNGWQKDOAX-UHFFFAOYSA-N 384.499 4.247 0 1 GIAF COc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=O)C3)cc(OC)c1 82150431 SAMDIPYJGSWNAN-UHFFFAOYSA-N 396.834 4.052 0 1 GIAF O=C1Nc2ccc(C(=O)O)cc2/C1=C(\c1ccccc1)c1nc2ccccc2[nH]1 84739143 KMXYTUMWDQTWTG-VXPUYCOJSA-N 381.391 4.172 0 1 GIAF CCOC(=O)c1c(OC2[C@@H](C)CCC[C@@H]2C)cc(Cc2ccccc2)[nH]c1=O 95591971 IMRFTOQIMMCKAL-HOTGVXAUSA-N 383.488 4.346 0 1 GIAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCc2c([nH]c3ccc(O)cc23)C1 95595384 KMBADDOSUZGLRW-UHFFFAOYSA-N 375.350 4.483 0 1 GIAF Cc1nc2ccc(C(=O)NCc3ccccc3)cc2n2c(-c3ccccc3)nnc12 98208563 HIUJNBXYERGONS-UHFFFAOYSA-N 393.450 4.183 0 1 GIAF in-vitro O=c1cc(-c2ccc(Cl)cc2)sc(N2CCOCC2)c1Br 101074046 INRJDEVRCRTKFT-UHFFFAOYSA-N 386.698 4.028 0 1 GIAF CC(C)Oc1nccc2[nH]nc(-c3cc(C(=O)N4CCCC4)n(C(C)C)c3)c12 114773182 LKSXHPJWGLAORP-UHFFFAOYSA-N 381.480 4.031 0 1 GIAF CN1[C@H]2CC[C@H]1CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CC2 139382640 KNMBXTMXDMSENI-VXKWHMMOSA-N 386.486 4.239 0 1 GIAF O=C(OCCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1 169307388 ZCLNZFHPKFCPES-UHFFFAOYSA-N 381.497 4.432 0 1 GIAF CCCCC1([C@@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 169315245 QXMPZYDJGKWCFG-DLQYBHFOSA-N 392.536 4.031 0 1 GIAF CCN(CC)C(=O)[C@@H]1CCCN(CC2=Cc3c(Cl)ccc(OC)c3CC2)C1 169324750 XLLSWAWHNJQLCP-QGZVFWFLSA-N 390.955 4.259 0 1 GIAF COc1ccc2nc3c(c([Si](C)(C)C(C)(C)C)c2c1)Cn1c-3cccc1=O 195391540 QBUPXYWAZHRARS-UHFFFAOYSA-N 378.548 4.149 0 1 GIAF O=C(O)C[C@@H](NC(=O)c1cccc(Cl)n1)c1ccc(-c2ccccc2)cc1 203334968 MBLOXSIAJATUNY-GOSISDBHSA-N 380.831 4.348 0 1 GIAF Clc1ccc(Br)nc1-c1nc2c(Br)ccnc2[nH]1 587004988 HTZCKWOKAIPZQQ-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF CCc1cc(OCc2nc3ccc(CN4CCOCC4)cc3[nH]2)ccc1Cl 587052966 VUSMALJBBIJUNK-UHFFFAOYSA-N 385.895 4.190 0 1 GIAF FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3Cc4cc(Cl)ccc4O3)nc1-2 587080601 NSSHAFPUFUSMNL-MRVPVSSYSA-N 375.137 4.306 0 1 GIAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2ncc[nH]c-2n1 587086293 DZARGMFOMNUTBO-VOTSOKGWSA-N 385.258 4.335 0 1 GIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)cc2N1 587125893 HGXRNFHHFLCJKF-XRGYYRRGSA-N 391.184 4.436 0 1 GIAF COc1cc(-c2nc3cnc(Cl)[nH]c-3n2)cc(-c2ccc(C(=O)O)cc2F)c1 587143890 MUKMFWKGAJFUSZ-UHFFFAOYSA-N 398.781 4.138 0 1 GIAF COc1ccc([C@@]2(CCCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402322 BPCKPQSLIOCWQW-JOCHJYFZSA-N 383.444 4.092 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCCc4c(Br)cccc41)[C@@H](C2)C3=O 587417349 LRSBKRKSECDXFN-MGPUTAFESA-N 385.257 4.437 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ncc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O 587424074 XBSBZVDGSZAOKM-APPDUMDISA-N 383.753 4.425 0 1 GIAF Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1ccccc1 587580084 GYQPERLDGKGEBH-URXFXBBRSA-N 398.418 4.496 0 1 GIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1CNC(=O)OC(C)(C)C 587623113 LGEAKOFZPABAOM-UHFFFAOYSA-N 379.258 4.140 0 1 GIAF CC(C)(C)c1ocnc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659889 IKWBTTGHMMCLIV-UHFFFAOYSA-N 391.402 4.177 0 1 GIAF CC(C)NC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587739364 AVGOFQUGMCZWBB-VBKZILBWSA-N 391.328 4.364 0 1 GIAF CCCOc1ncccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587775384 ZRIJTQIXLJINMF-PIGZYNQJSA-N 379.273 4.396 0 1 GIAF CC(C)CCOC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587795675 REWGACCBZUXSQT-XIKOKIGWSA-N 386.305 4.317 0 1 GIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587963695 QOGKHTBCEMCYKB-YUMQZZPRSA-N 391.187 4.382 0 1 GIAF Clc1ccc(OCc2cn(Cc3ccc(Br)cc3)nn2)cc1 653804897 HUIDPQDMTRJLRT-UHFFFAOYSA-N 378.657 4.321 0 1 GIAF Cc1cc2c(cc1F)[C@@](c1ccc(CN3CCOCC3)cc1)(C1CCC1)NCC2 962089005 FJUMFZNPUOSHAK-VWLOTQADSA-N 394.534 4.156 0 1 GIAF CC(=O)[C@@H]1CCc2ccccc2[C@@]12c1cccc(Br)c1CCN2C 963289434 NACVHEQNUQEXQF-LAUBAEHRSA-N 384.317 4.332 0 1 GIAF CCN(CC)CCN=c1[nH]c(/C=C/c2ccc(F)c(F)c2)nc2ccccc12 1857544642 BEHCAZIALDEDOS-ZRDIBKRKSA-N 382.458 4.254 0 1 GIAF CCCCNC(=O)c1c(NC(=O)[C@@H](CC)c2ccccc2)nc2ccc(C)cn12 1857599597 HAJYHXGMBYHDTF-SFHVURJKSA-N 392.503 4.305 0 1 GIAF CC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)CC[C@H](O)C[C@@H](O)C=CC=Cc1ccccc1 2356552200 IKMNWINZTIFDLH-VILWBRSESA-N 384.516 4.292 0 1 GIAF CCCN(CCC)C(=O)/C=C1\c2ncccc2C(=O)N1c1ccc(Cl)cc1 13759895 QXRYSBDDBRGKOJ-NBVRZTHBSA-N 383.879 4.385 0 1 GIAF COc1ccc(CCN(C)C(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1OC 17822529 ZYCKUSDSTLBXBZ-RGMRCXJASA-N 391.939 4.283 0 1 GIAF CC(C)NC[C@@H](O)COc1ccc2c(=O)c(-c3ccccc3)c(C(C)C)oc2c1 27102919 POFVXWJUSFTAKH-GOSISDBHSA-N 395.499 4.321 0 1 GIAF NCCCSC[C@H](COc1ccc(-c2ccccc2)cc1)SCCCN 27655942 JLGWTADYOJMCGU-NRFANRHFSA-N 390.618 4.265 0 1 GIAF CCN(CC)CCOc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1 35901072 BZUVXLPHVGFEJA-UHFFFAOYSA-N 392.499 4.137 0 1 GIAF C[C@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NCC3CC3)cc2)cc1 43062540 COTQUFSBYWGOIV-SFHVURJKSA-N 398.572 4.069 0 1 GIAF N[C@H](Cc1cccc2ccccc12)C(=O)Nc1cncc(/C=C/c2ccncc2)c1 73331218 WZSVRUCBLPTNFX-HCXLOTKHSA-N 394.478 4.309 0 1 GIAF Cn1c(S(=O)(=O)Cc2ccncc2)nc(-c2ccccc2)c1-c1ccccc1 96915285 GEXXQZCDTIWEMM-UHFFFAOYSA-N 389.480 4.123 0 1 GIAF COc1ccc([C@@H]2N[C@H](c3ccc(OC)cc3)c3snnc3C2(C)C)cc1 103278529 ZRAXYGBQUWQSFZ-MJGOQNOKSA-N 381.501 4.267 0 1 GIAF N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)NCC3CCCC3)cc1)C2 167277485 YUUNMEWAIWZTQG-UHFFFAOYSA-N 388.471 4.026 0 1 GIAF CC(=O)CC[C@@H]1[C@H]2[C@H](O)[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@]12C 195370927 MZRGOEIFXVZAOF-YKKULFRESA-N 384.516 4.270 0 1 GIAF CC1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@@H](COc1ccc3ccc(=O)oc3c1)[C@]2(C)O 238750836 ZMOPWHIELRYMND-WNLBNGGTSA-N 398.499 4.344 0 1 GIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 586948237 LPYKEBLQLDJSFL-UHFFFAOYSA-N 385.276 4.082 0 1 GIAF N=c1[nH]c2nc(-c3cc(Cl)cc(Cl)c3Br)nc-2c(Cl)[nH]1 586974209 CYZOESCZOMQJLB-UHFFFAOYSA-N 393.459 4.107 0 1 GIAF CC(=O)N[C@H](Cc1nc2cc(F)cc(F)c2[nH]1)c1ccc(Br)cc1 586984725 IHKZEFVFLRAZGN-CQSZACIVSA-N 394.219 4.024 0 1 GIAF COCCn1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C 586987617 PEMYOPYQJYAGCT-UHFFFAOYSA-N 399.450 4.279 0 1 GIAF COC(=O)c1cc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2cn1 587149869 NURUBOHNVIRSBZ-IBGZPJMESA-N 376.391 4.085 0 1 GIAF COC(=O)c1ccnc2[nH]c(-c3cc(F)cc(-c4cccc(OC)c4)c3)nc12 587160100 GSYHVGXMAFGVIN-UHFFFAOYSA-N 377.375 4.226 0 1 GIAF CCOC(=O)C[C@]1(CC2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347046 KUHQUJRTMGSZMG-GMAHTHKFSA-N 398.430 4.382 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@H]1[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]2[C@@H]5C[C@H]41 587356220 ZOSPFAFFNVNUPX-QBWNROQFSA-N 388.438 4.407 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCc2cccnc2)c1 587394868 KVCWNJDSAIFJHW-QFIPXVFZSA-N 390.439 4.266 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)O2 587402371 ZPYSRWLOFHUJBA-YHEJKZAPSA-N 386.492 4.091 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1nc(OC)ccc1Br)CC2=O 587458932 VGTVPEMTHWFHPC-OAHLLOKOSA-N 392.249 4.217 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCCC3=O)cc1)CC2=O 587477363 XPLOQXCFSUCQID-HSZRJFAPSA-N 379.456 4.352 0 1 GIAF Cn1cc([C@]2(c3cccc(F)c3)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587500337 BDQZMFGAJSCUBE-HSZRJFAPSA-N 376.431 4.347 0 1 GIAF CCOC(=O)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CC(F)(F)F 587621925 PJYKNYUNJFDZDZ-UHFFFAOYSA-N 390.159 4.088 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]c3nccc-3cc2F)N1 587728856 UCHZVDHUKRLZLC-ANRSDYALSA-N 378.220 4.179 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](C(=O)O)C(C)(C)[C@H]2C)N1 587828454 SRBUKLCPTBXDNM-IZYWVTPHSA-N 398.316 4.475 0 1 GIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)nc2n1 587928762 KFZSSVLMBWPVFF-UHFFFAOYSA-N 389.411 4.096 0 1 GIAF CCOc1cc(CC(C)=O)c(OCC)n1-c1cc(C)n(Cc2ccccc2F)n1 587944396 DOTLLVCYUBCGGX-UHFFFAOYSA-N 399.466 4.099 0 1 GIAF CC(C)(C)c1cc(SCC(=O)Nc2ccc(C(=O)O)cc2)nc(C2CC2)n1 957853731 KNFSJGDULRCYLE-UHFFFAOYSA-N 385.489 4.081 0 1 GIAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3cc(F)cc(Cl)c3)N12 962672484 UANRNNPXAVMGRS-GHTZIAJQSA-N 384.838 4.215 0 1 GIAF C[C@]1(c2cccc(N3CCCC3)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732163 XNMBXUWHBZMEBM-PZJWPPBQSA-N 388.433 4.196 0 1 GIAF Cc1nn(C)c(C)c1NC(=O)c1cccc(-c2cccc(C3CCNCC3)c2)c1 1772577683 KASJWGSUQQLBLZ-UHFFFAOYSA-N 388.515 4.423 0 1 GIAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3c(C)n[nH]c3C)cc2OC)c1 1772621454 WACNRZMKBTXEMX-CYBMUJFWSA-N 379.460 4.202 0 1 GIAF Cc1cc(C(=O)NC[C@H]2CC[C@H](Oc3ccnc4c(F)cccc34)CC2)no1 1772654791 SNDPSGJDCPSJLQ-SHTZXODSSA-N 383.423 4.038 0 1 GIAF Oc1c(-c2nnc(-c3ccc(F)cc3)o2)cnc2ncc(-c3cccnc3)cc12 1857595160 BOTOSDQNCMBBBM-UHFFFAOYSA-N 385.358 4.254 0 1 GIAF CN1CCO[C@](OCCCO)(c2ccc(-c3ccc4ccccc4c3)cc2)C1 1857603361 SHFLIDLPOAGNFX-DEOSSOPVSA-N 377.484 4.021 0 1 GIAF COc1cc(NS(C)(=O)=O)ccc1C[C]1c2ccccc2Nc2ccccc21 2356872356 CYLAENIEGJLPMA-UHFFFAOYSA-N 393.488 4.337 0 1 GIAF O=C(Nc1ccnn1C1CCN(Cc2cccc(F)c2F)CC1)C1CCCC1 14954386 SXGPIJFJDWQUBK-UHFFFAOYSA-N 388.462 4.127 0 3 GIAF COc1ccc(CN2Cc3cnnn3-c3ccccc3[C@@H]2c2ccccc2)cc1 61943120 IEQMURWJGQAPFD-DEOSSOPVSA-N 382.467 4.381 0 3 GIAF Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(C)cc35)CCC4)CC2)c1 606587 VJTWWRNOGWKHIN-UHFFFAOYSA-N 388.559 4.272 0 1 GIAF CCOC(=O)c1cc([C@H]2CCN(C[C@H](C)CC)C2=S)c(-c2cc(C)no2)[nH]1 1653958 LOBREDKSHZCROZ-TZMCWYRMSA-N 389.521 4.318 0 1 GIAF COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N[C@@H]1CCCc2ccccc21 7005133 GANAZQIDOWFBRQ-GOSISDBHSA-N 398.484 4.015 0 1 GIAF CCOc1cc2c(cc1O)[C@@H](NC(C)=O)CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 26491098 YRMUBJUOYFERGW-LUGPVJEXSA-N 387.520 4.033 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 27887269 GNWBLLYJQXKPIP-FGXQUKBJSA-N 388.596 4.334 0 1 GIAF O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc2nc(O)oc2c1 28363813 FWYRCNFWCMKNTJ-UHFFFAOYSA-N 382.435 4.200 0 1 GIAF CCOc1cc2c(cc1OC(C)=O)C(=O)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 39180075 BQBOABNOMRVZDN-WEBLFEISSA-N 386.488 4.258 0 1 GIAF CCn1c(=S)sc2c(NC(=S)Nc3ccc(OC)cc3)ncnc21 45283487 LIXHWNAXRZLDDH-UHFFFAOYSA-N 377.520 4.060 0 1 GIAF O=C(c1ccco1)N1CCN(Cc2coc(-c3cccc4ccccc34)n2)CC1 72101377 VHTSRMSNYQNNGT-UHFFFAOYSA-N 387.439 4.046 0 1 GIAF Cc1cccc(O)c1[C@@H](CC(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccc2c(c1)OCO2 95598116 WICRMNZBKVGVSE-BXWFABGCSA-N 395.499 4.456 0 1 GIAF CCOC(=O)c1c(C(F)(F)F)c2cccnn2c1C(=O)c1ccc(Cl)cc1 96914605 ODZLZXCVWJCTHG-UHFFFAOYSA-N 396.752 4.414 0 1 GIAF CC(=O)N1CC[C@](C)(c2ccccc2)[C@H]2C=C(NC(=O)OC3CCCC3)C=C[C@H]21 118266259 BYYWYRYHYCVCLI-WMTXJRDZSA-N 394.515 4.304 0 1 GIAF COc1cccc(-c2nc(N)c3cc(CN4CCCC(F)(F)C4)sc3n2)c1 118590476 IUBYJIUUGRQPSE-UHFFFAOYSA-N 390.459 4.180 0 1 GIAF Cc1cn(CCCn2c(=S)[nH]c3sc(-c4ccccc4)cc3c2=O)cn1 138362265 SUEZJTASQILVKW-UHFFFAOYSA-N 382.514 4.383 0 1 GIAF CCN(C(=O)CC(C)C)c1cc(C(=O)N[C@@H](C)CO)cc(-c2ccc(C)cc2)c1 142639516 SHPZKSUROHZUHN-SFHVURJKSA-N 396.531 4.172 0 1 GIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccs1 169715370 NVMVEZOLTCXCNY-MSOLQXFVSA-N 397.496 4.460 0 1 GIAF CN[C@](c1nc2ccc(C#N)cc2[nH]1)(c1c(C)cc(C)cc1OC)C(F)(F)F 230475009 UCKKPCZNZHKBKC-IBGZPJMESA-N 388.393 4.085 0 1 GIAF COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 299820376 PMMRBDRYCOJUPT-FZHXZPIDSA-N 375.553 4.275 0 1 GIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2[C@@H](C)O 299847821 GMLYBWDTQYGRCD-VPANRONJSA-N 376.537 4.138 0 1 GIAF N[C@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccccc1Cl 587057567 PPFZGSAMEDPDCU-SNVBAGLBSA-N 386.080 4.270 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(-c3cc(F)c(C)c(F)c3)nc2c1 587133510 YSPWMYPTIFMCHX-UHFFFAOYSA-N 381.176 4.366 0 1 GIAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1O 587377614 NWSNRJRIKFFLPW-HNNXBMFYSA-N 392.249 4.151 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3CN(Cc4ccccc4)C[C@H]31)O2 587398934 JRTNNEYLLXBRHE-FPGHNAPASA-N 376.500 4.213 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@@H]1CCCC[C@H]1C(=O)O)O2 587406374 GPNIPIWGGWVRSG-JTUHZDRVSA-N 379.456 4.329 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(F)c1)(c1nccn1C)CC2=O 587467259 PWGPWZOXFVHOMO-QFIPXVFZSA-N 380.419 4.126 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccncc1Br 587540037 GUZMDPXZINRTMG-VQIMIIECSA-N 398.212 4.253 0 1 GIAF C[C@H](N(C)C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574196 VUFLGXZNNIOOCL-VZDNWZCBSA-N 389.451 4.199 0 1 GIAF C[C@H](N=O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574984 ZRBUSSFNTWCMLT-DVXDUOKCSA-N 375.380 4.404 0 1 GIAF O=C(CCc1ccco1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657107 VGIBOTFIRCTVCC-UHFFFAOYSA-N 380.350 4.208 0 1 GIAF C[C@H](N(C)C)[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587743565 XDADBOSAVDMXCQ-CKNLXJGOSA-N 391.328 4.316 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(-c3ccco3)nc2)N1 587776943 ZHKPTTXAMJLYQB-BTDLBPIBSA-N 388.240 4.262 0 1 GIAF Brc1c[nH]c2nc([C@H](Cc3ccccc3)c3ccccc3)nc-2n1 587956244 OYSLRJZQXYCIAG-OAHLLOKOSA-N 379.261 4.442 0 1 GIAF C[C@H]1N(c2ccc(OCC(=O)O)cc2)C(=O)c2ccccc2N1c1ccccc1 653785949 VNIOKEDWBOQFQO-MRXNPFEDSA-N 388.423 4.295 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@@H](c3c(-c4ccccc4)nc4ccccn34)c3cccc1c32 963028290 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COc1c2ccccc2nn1Cc1cccc(-n2nc3ccccc3c2OC)c1 206038036 MBOUCMYSWNEERE-UHFFFAOYSA-N 384.439 4.441 0 3 GIAF CC1(C)C[C@@H](NCc2cccc(C(F)(F)F)c2)c2cc(C(N)=O)ccc2O1 763051 BCCLHPMSXKUMRF-MRXNPFEDSA-N 378.394 4.196 0 1 GIAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774706 AIAKZPLMEZOQMN-MLGOLLRUSA-N 388.851 4.392 0 1 GIAF CCCN(C/C=C/I)[C@H]1CCc2cccc(OC)c2C1 13833401 NBAJLSFGMWTKML-RNOHYWCBSA-N 385.289 4.213 0 1 GIAF Cc1cc(Oc2ccc3c(c2)OCO3)nc(Oc2ccc(-n3ccnc3)cc2)n1 16052317 QQBNDYARFVOEGW-UHFFFAOYSA-N 388.383 4.284 0 1 GIAF in-vivo CSc1sc(C(=N)N)cc1-c1nc(-c2ccc3c(c2)OCCO3)cs1 28772037 IQHIAMAAHJGYDK-UHFFFAOYSA-N 389.527 4.316 0 1 GIAF CCOc1ccc2nc(C)cc(Nc3cc(OC)c(OC)cc3C(=O)OC)c2c1 40975731 FRNAOGZMWYOUFR-UHFFFAOYSA-N 396.443 4.489 0 1 GIAF COc1cc2c(cc1OC)[C@@H]1C[C@@H](N)[C@@H](c3cccc(C(C)C)c3)CN1CC2 45337454 DFRKXRAANPFWQN-VSKRKVRLSA-N 380.532 4.241 0 1 GIAF COc1cccc2c1O[C@H](CN1CC=C(c3c[nH]c4ccc(F)cc34)CC1)CN2 53173631 BPBCGWPBILSOFV-KRWDZBQOSA-N 393.462 4.278 0 1 GIAF Cc1ccccc1-c1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)co1 82074863 UQGWYEVZZYKKOD-UHFFFAOYSA-N 375.472 4.044 0 1 GIAF CCCCC(=O)N(Cc1cc2ccccc2o1)c1cc(-c2nnn[nH]2)ccc1F 84654567 QDCPZLCWWDFWCI-UHFFFAOYSA-N 393.422 4.475 0 1 GIAF CS(=O)(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1 95563627 YWJRVCMASXAQPU-FQEVSTJZSA-N 396.443 4.000 0 1 GIAF CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccccc2)[C@@H]1CO 95878893 NUUZRTGAIQIBSQ-TUSQITKMSA-N 398.506 4.368 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4ccc5occc5c4)ccc31)[C@@H]1CC[C@H](C2)N1 96175256 AUZWOAZSYDDIHT-KDOFPFPSSA-N 392.480 4.107 0 1 GIAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2ccc3c(c2)OCO3)cc1 100108599 FORPUHREVNKSEE-QXSURTEESA-N 398.506 4.331 0 1 GIAF Nc1c(C=O)c(-c2ccc(Cl)cc2)nn1-c1ccc(Br)cc1 103169193 UAJBZRZLXADNOJ-UHFFFAOYSA-N 376.641 4.350 0 1 GIAF O=C(OCc1cn(-c2ccnc3cc(Cl)ccc23)nn1)c1ccc(Cl)cc1 103270077 QGYOCNBEDQCVOI-UHFFFAOYSA-N 399.237 4.479 0 1 GIAF COc1cccc(C(=O)N2CCC(F)(F)[C@@H](Oc3ccc4ccccc4n3)C2)c1 145988171 QZXSVMSMRJTFPZ-IBGZPJMESA-N 398.409 4.172 0 1 GIAF O=C(Nc1ncccn1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 147820383 SKANHFABWKDYJB-UHFFFAOYSA-N 384.399 4.055 0 1 GIAF CC[C@H](C)Oc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)nc1 231377012 RANMHCSIPZBWLI-HOIFWPIMSA-N 397.519 4.114 0 1 GIAF COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 299820377 PMMRBDRYCOJUPT-URGMHMMJSA-N 375.553 4.275 0 1 GIAF COc1ccc(-c2cnc3snc(NC(=O)C4CCCCC4)c3n2)cc1OC 299821999 MLLIMFOPUDXFHT-UHFFFAOYSA-N 398.488 4.289 0 1 GIAF FC(F)(F)c1cccc(-c2cnn3ccc(NCC4CCOCC4)nc23)c1 299841373 ZMNXOHYPVXSUNO-UHFFFAOYSA-N 376.382 4.254 0 1 GIAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586962123 OPEHZKKXJOKLDG-GFCCVEGCSA-N 393.472 4.073 0 1 GIAF Oc1nncc2nc(/C=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c12 586999334 ZSXAWZKKHOHQTC-SOFGYWHQSA-N 383.205 4.251 0 1 GIAF CCCCn1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587582602 QDTWPOSDQHNYEN-SIKLNZKXSA-N 378.428 4.400 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)CCN3)N1 587793796 LIOZCKHFZSKOQB-WYRIXSBYSA-N 375.285 4.354 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(CC(=O)O)cs2)N1 587847338 KMQMAVCPTKFWCB-VVVCHXIZSA-N 398.297 4.075 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCO[C@@H]1C(C)(C)C 587868242 XXZDKHPRPNKASQ-LRDDRELGSA-N 397.397 4.064 0 1 GIAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)cc1F 653696902 YSJGGZNDUKNWOG-UHFFFAOYSA-N 398.777 4.433 0 1 GIAF Cc1ccc(F)c([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)c1F 962635447 IYELJOFLJCHBRZ-PKTZIBPZSA-N 396.437 4.184 0 1 GIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc3cc[nH]c3c2)N1 962690468 ANFISYSCNIQMSA-IAGOWNOFSA-N 378.325 4.014 0 1 GIAF CC[C@]1(CC(=O)C(F)(F)F)c2cccc(F)c2CCN1[C@H]1CCSC1 962702007 LYERVHNVHCLYJS-SJCJKPOMSA-N 375.431 4.316 0 1 GIAF CN1CCc2cnn(C)c2[C@@H]1c1ccccc1OCc1c(F)cccc1Cl 963955994 UDXHCKJRRDXWQB-NRFANRHFSA-N 385.870 4.369 0 1 GIAF CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccc(C(=O)OC)cc1)[C@@H]23 1772613244 NKHVQEWPDWMHLG-AFXVXQJMSA-N 384.564 4.338 0 1 GIAF CCc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC)C(=O)N32)s1 1857650304 PYRZRKTWNHDCON-QFBILLFUSA-N 379.485 4.090 0 1 GIAF CCO[C@@H](CC(=O)O)c1ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)cc1 1857656065 CTWZMWYDKBXMDV-AEFFLSMTSA-N 392.835 4.111 0 1 GIAF O=C1CN=C(c2ccccc2)c2cc(Br)cc(Br)c2N1 1911576754 JAILFKHLPFLTOX-UHFFFAOYSA-N 394.066 4.001 0 1 GIAF O=c1cc(-c2ccccc2)oc2cc(NS(=O)(=O)c3ccccc3)ccc12 1911580058 BFXYUASQUURPTI-UHFFFAOYSA-N 377.421 4.261 0 1 GIAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=C[C@@H](OC)OC1=O 2356495098 FSJFGZMOIPHTEI-IWQDNSMASA-N 376.493 4.174 0 1 GIAF Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCc3cccnc3)sc21 4923645 YOFVJLDMLGJCHL-UHFFFAOYSA-N 382.876 4.280 0 1 GIAF CCOc1ccc(-n2c(C)nc3cc(C(=O)NCc4cccnc4)ccc32)cc1 8323761 GXSSFWMWSGCCCV-UHFFFAOYSA-N 386.455 4.058 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@H]1c1cccc(Cl)c1Cl 8653823 HAQDEJPEAKWAAM-UKRRQHHQSA-N 384.259 4.178 0 1 GIAF Cc1cc(=O)c(-c2ccc(Cl)cc2F)c(-c2ccc(S(C)(=O)=O)cc2)o1 13581191 XGDBHXGGCVOTPO-UHFFFAOYSA-N 392.835 4.478 0 1 GIAF COc1cccc([C@H]2c3cc4c(cc3O[C@](C)(N3CCCC3)[C@H]2C)OCO4)c1O 17142518 LDJUMRJNYFZQRI-BKAZIGDYSA-N 397.471 4.102 0 1 GIAF C[C@]12C=CC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 27632672 WVVRDXVBWQZBIM-LPPFXQTFSA-N 380.484 4.243 0 1 GIAF O=C(NCCN1CCOCC1)c1cc(-c2ccc(-c3ccccc3)cc2)cs1 28137627 PHTQJEOSGCXNBC-UHFFFAOYSA-N 392.524 4.144 0 1 GIAF COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801350 PMMRBDRYCOJUPT-KGKPZEGNSA-N 375.553 4.275 0 1 GIAF FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1 40896825 OPWPQZXQSROBLU-UHFFFAOYSA-N 385.353 4.122 0 1 GIAF CC(=O)NCCN(C)c1cccc(OCCCCCCOc2ccccc2)c1 72112163 JVFLADOUQKKLCI-UHFFFAOYSA-N 384.520 4.277 0 1 GIAF Cc1ncsc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2CF)cc1 117397579 QFLUJRNSUGGAAG-UHFFFAOYSA-N 384.358 4.378 0 1 GIAF CC(=O)[C@H](CCCCCCC(=O)O)CCC[C@@H](O)COc1ccc(F)cc1 169316930 YXEJLBHGDXMBNT-IEBWSBKVSA-N 382.472 4.366 0 1 GIAF COC(=O)Nc1cc(Nc2ncnc3cc(OC)c(OC)cc23)ccc1Cl 169329824 GGUDQJFMRMTUEH-UHFFFAOYSA-N 388.811 4.222 0 1 GIAF Nc1cnc(-c2ccc(-c3ccccc3Sc3ccnc(N)n3)cc2F)cn1 224804680 DBMKBIHGTWADON-UHFFFAOYSA-N 390.447 4.055 0 1 GIAF COc1ccc2c(C)c(CCc3nc4cc(F)c(F)cc4[nH]3)c(=O)oc2c1C 586918531 NTARRJGTQPCBPW-UHFFFAOYSA-N 384.382 4.358 0 1 GIAF Cc1cc(Br)cc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 587043644 SDFUWNWSGDBFSE-GFCCVEGCSA-N 382.327 4.254 0 1 GIAF Cc1onc(-c2nc3cc(C(=N)N)ccc3[nH]2)c1COc1ccc(Cl)cc1 587076462 UBZCVSQATRGUBT-UHFFFAOYSA-N 381.823 4.043 0 1 GIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587108978 KFVLAUMGFAARIA-UHFFFAOYSA-N 375.228 4.361 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3c(C)ccnc3[nH]2)c1 587147775 ZQLBAFAGHIHTLK-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587192534 VEKDWRLINPWQAP-ZWKOTPCHSA-N 395.463 4.243 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4[nH]nc(C(F)(F)F)c41)[C@@H](C2)C3=O 587423869 VVQPIHCDLKQWLT-WLRWDXFRSA-N 392.377 4.052 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4cccc(C(=O)O)c41)[C@@H](C2)C3=O 587448278 CGUARLNNLKDCGT-UUOWRZLLSA-N 384.387 4.065 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(N)c(N)c1)CC2=O 587472963 PADFCCBLJASIAZ-DEOSSOPVSA-N 388.467 4.418 0 1 GIAF C=CN1CCCC[C@@H]([C@]2(C3CC3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587475893 QRHHQSOOEJHBTK-WZONZLPQSA-N 383.488 4.231 0 1 GIAF C[C@@]1(CC(=O)Nc2cccnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587499887 NRSUPLQGWQLVBC-NRFANRHFSA-N 384.863 4.367 0 1 GIAF Cn1cc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cn1 587578661 AYHJTYQIIFVWFA-XUZZJYLKSA-N 398.418 4.496 0 1 GIAF C[C@@H]1CCCN(CC(C)(C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587581665 ITDZYWSVVQIFQB-AYPBNUJASA-N 395.499 4.481 0 1 GIAF CCC[C@H](C)OC(=O)C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597213 UGQOBQIRQDWFIX-DVXDUOKCSA-N 384.428 4.234 0 1 GIAF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1N 587746919 IZOLAJLBAPDTJT-JEOXALJRSA-N 393.300 4.367 0 1 GIAF COc1cc(OC)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807619 KUAHVCFMHGNXBY-WLRWDXFRSA-N 394.284 4.403 0 1 GIAF CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)n2nc3cc2Oc2ccc(F)cc2-3)C1 587875720 LFKPZRHBEPAGNM-GFCCVEGCSA-N 387.411 4.082 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)Cc3ccc(OC)c(OC)c3)nc2c1 587926724 OAJLVGAFPWUFOO-NSHDSACASA-N 388.851 4.366 0 1 GIAF COc1cc(O)cc(-c2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)c1 587932087 LKKAJQHWOVDHJZ-UHFFFAOYSA-N 397.232 4.115 0 1 GIAF COc1ccccc1-c1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1O 587946030 ILCXABXCJMLSMD-UHFFFAOYSA-N 391.402 4.084 0 1 GIAF O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)Cc2ccccc2)CC1 621476129 QADVFHUJGUFCNY-UHFFFAOYSA-N 388.467 4.366 0 1 GIAF C[C@@H]1CC[C@]2(c3cccc(F)c3CCN2[C@H]2CCSC2)[C@H](n2cncn2)C1 962719692 WEPINHKXWXVEIW-XTCWOQMQSA-N 386.540 4.037 0 1 GIAF O=C(O)C[C@@H]1CC[C@]2(C1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963816514 CVSOIHJWGQQXJZ-BXKMTCNYSA-N 390.483 4.363 0 1 GIAF CCCc1cc(OCC(=O)Nc2ccccc2OC)c2cc(OC)ccc2n1 1772610216 GJXOCSVGYTYGCF-UHFFFAOYSA-N 380.444 4.222 0 1 GIAF O=C1C=C(Cc2ccc(NC(=O)c3ccccc3)cc2)/C(=C\Br)O1 1857748943 REIMTVMGRDENHN-SFQUDFHCSA-N 384.229 4.201 0 1 GIAF Cc1c(C(=O)NN2C(=O)CS[C@@]23CCC[C@H](C)C3)[nH]c2ccc(Cl)cc12 1911577139 GNHIYXPZHXASQT-JEOXALJRSA-N 391.924 4.256 0 1 GIAF Cc1ccccc1C(=O)N1CC(=O)Nc2ccc(F)cc2[C@H]1c1ccc(F)cc1 2724721 RATIPJMPZWUPQH-JOCHJYFZSA-N 392.405 4.457 0 3 GIAF C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CCN1Cc1ccccc1OC(F)F 61928972 MHGVKGAUUDUCAV-QFIPXVFZSA-N 397.425 4.439 0 3 GIAF COc1ccc(CNC(=O)c2oc3ccc4nc(N(C)C)sc4c3c2C)cc1 6876756 JFVCKIHNJCKKMY-UHFFFAOYSA-N 395.484 4.356 0 1 GIAF CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COC(=O)c2ccccc2C(F)(F)F)C1 7780697 RPCVGCKFVBBJOD-BFUOFWGJSA-N 383.410 4.289 0 1 GIAF CCCc1cc2c(cc1O)C(C)(C)[C@H](CCc1ccc(S(C)(=O)=O)cc1)O2 13453246 XYEJRYLUIHMXES-NRFANRHFSA-N 388.529 4.420 0 1 GIAF CCOC(=O)OC[C@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1cccc(N(C)C)c1 13783038 BJQHPHLOVQMVEG-FDFHNCONSA-N 397.471 4.369 0 1 GIAF CC1(C)Nc2c(ccc(C(=O)c3ccccc3)c2O)O[C@@H]1NC1CCCCC1 28124870 GEHRLGHKOBKLQB-QFIPXVFZSA-N 380.488 4.455 0 1 GIAF COc1cccc(CN(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)c1 28825432 CCSZSHPNZBSEMO-RLAPIPATSA-N 380.488 4.464 0 1 GIAF COc1ccc(C2=NO[C@@H](CC(=O)Nc3cc(C(C)C)c(O)cc3C)C2)cc1 82153049 IEPGULXATGJHFQ-QGZVFWFLSA-N 382.460 4.354 0 1 GIAF O=C(O)C1=CNC=C(C(=O)OC/C=C/c2ccccc2)[C@@H]1c1ccc(Cl)cc1 84653620 QCBLVEOJFDTYFZ-WWPOYFSUSA-N 395.842 4.136 0 1 GIAF O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)[C@H](c2ccccc2)NC1=O 101162323 RSYBGZDWNUKPIV-FQEVSTJZSA-N 376.456 4.356 0 1 GIAF C[C@H](Sc1ccc(Br)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 101471387 BTSSXYAVXYRPTA-UBHSHLNASA-N 384.339 4.098 0 1 GIAF Cc1c(S(=O)(=O)Nc2cncc(C(=O)O)c2)sc2ccc(C(C)C)cc12 114595110 BQBJVIVVNFZJPE-UHFFFAOYSA-N 390.486 4.227 0 1 GIAF CC(=O)N1CCC(C(=O)Nc2ccc([C@H]3CC[C@@H](N4CCC[C@@H]4C)C3)cc2)CC1 204255693 RWVQOEJTUMUHQH-JWNTYJGQSA-N 397.563 4.004 0 1 GIAF COc1cccc2c(NCc3ccccc3)nc(N(C(N)=O)c3ccccc3)nc12 218996279 ULSGAQDCLYWERB-UHFFFAOYSA-N 399.454 4.467 0 1 GIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(O)cccc4[nH]3)cc2)c1C 586947541 RKHBFPVVEVGRHG-UHFFFAOYSA-N 393.468 4.353 0 1 GIAF Cc1noc([C@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)n1 586989437 IQUXALHCVUXWJH-LBPRGKRZSA-N 383.407 4.116 0 1 GIAF CC(=O)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)cc1O 586991248 LSYANAMPIFLSKR-UHFFFAOYSA-N 397.386 4.433 0 1 GIAF COC(=O)CC[C@@H](C(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097851 ONHGAUPQAUZSQH-HNNXBMFYSA-N 387.435 4.380 0 1 GIAF C[C@@H](c1nc2cc(N)c(N)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129869 MRKRXJXPECWRTG-BYPYZUCNSA-N 376.745 4.062 0 1 GIAF CCOC(=O)c1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2c1 587147073 DQPKSIQPUVUDGM-UHFFFAOYSA-N 382.370 4.085 0 1 GIAF O=C(COc1ccccc1-c1nc2cccc(O)c2[nH]1)Nc1ccccc1F 587153978 HPIDABRHRFPVIO-UHFFFAOYSA-N 377.375 4.092 0 1 GIAF CC(C)(C)OC(=O)N(Cc1nc2cnc3ccccc3c2[nH]1)C[C@@H]1CCCO1 587197695 STMALIBLOSYUNB-AWEZNQCLSA-N 382.464 4.027 0 1 GIAF COc1ccccc1Nc1ccccc1-c1nc2c(S)nc(S)nc2[nH]1 587240993 ULUQKKCAVDCCQP-UHFFFAOYSA-N 381.486 4.350 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)nn1[C@@H]1CCCCO1)O2 587383641 UJNMGZMYYOKUFN-WBVHZDCISA-N 395.381 4.198 0 1 GIAF CCOC(=O)[C@@H](CC)[C@]1(c2cccc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587401298 VRJHCOIYOXOSPM-WZONZLPQSA-N 381.472 4.336 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccccc2N[C@H]1c1ccccc1 587402172 VNXJBUJMAPKMMY-LADGPHEKSA-N 384.435 4.331 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)c3ccccc3)cc1)O2 587408739 IJIJBRWZJJGZNQ-NRFANRHFSA-N 393.464 4.117 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](C(=O)c1cccc(Br)c1)CC2=O 587457304 GLSXFBREWJKLLH-KRWDZBQOSA-N 389.245 4.324 0 1 GIAF O=C1C[C@](CO)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587506458 YFTNJYDJGYNMDB-FQEVSTJZSA-N 387.273 4.181 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(F)ccc(F)c12 587568311 HMXIHAUEFJJEST-KNQAVFIVSA-N 380.346 4.474 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2=COCC2)(C(F)(F)F)N1 587710245 QVYCLCDVGCZKEN-RMLUDKJBSA-N 380.179 4.184 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)cnn2CCF)N1 587716924 KJOMMUPAGQZKDY-XLKFXECMSA-N 390.659 4.031 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2oc3cccnc3c2N)N1 587748157 VDYFKDAVWVIIEO-YYSFKGJASA-N 390.256 4.109 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-n3ccnc3)c2)N1 587757010 UCGMFNJCRCZPLE-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CN(C)C)cs2)N1 587844926 CPJLNYTVQLZDRI-BTDLBPIBSA-N 383.330 4.335 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(N(C)C)cc1 587872902 SJUWYVMVQOMADX-UHFFFAOYSA-N 384.480 4.399 0 1 GIAF CSc1ccc(-c2csc(CCN3C(=O)c4ccccc4C3=O)n2)cc1 587924595 FBZNBSDGQGIBSR-UHFFFAOYSA-N 380.494 4.371 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@]1(c1ccccc1)[C@@H]1CCCNC1 962401204 WFPDRCVDNFSWBQ-YKSBVNFPSA-N 391.584 4.388 0 1 GIAF CCOC(=O)CC[C@]1(c2cccc(C(F)(F)F)c2)NCCc2c(C)ccnc21 963072851 OPOFAJUXLNVHFS-HXUWFJFHSA-N 392.421 4.141 0 1 GIAF Cc1ccccc1CC[C@@]1(C2CC2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963220965 JBYYIBWLUWDLOI-ZCYQVOJMSA-N 386.495 4.380 0 1 GIAF COc1cc2c(cc1OC1CCCC1)[C@H](c1ccccc1)N1C(=O)OC[C@@H]1C2 1772572171 QPSQHFUIJYGQQB-JTSKRJEESA-N 379.456 4.483 0 1 GIAF C=C(Br)C(=O)Nc1ccc2c(c1)/C(=C/c1ccsc1)C(=O)N2 1772589574 XQGYCUGQXLXADA-MLPAPPSSSA-N 375.247 4.088 0 1 GIAF C[C@]12CC[C@H](O)[C@](C)(C(=O)O)[C@H]1CCc1cc3[nH]c4ccccc4c3cc1O2 2356341767 WFJWYMIUZRCIHV-BAMDZGJYSA-N 379.456 4.267 0 1 GIAF COC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(=S)N[C@H]1c1ccccc1 95599457 MUXKCIBJZIDPSF-SFHVURJKSA-N 386.904 4.218 0 3 GIAF CC[C@@H](C(=O)NCCC1=CCCCC1)N1C(=O)COc2ccc(C(C)(C)C)cc21 4688067 OZRPAFBTCUPJMN-IBGZPJMESA-N 398.547 4.495 0 1 GIAF COc1ccc(Nc2cc3c(cc2Nc2ccc(OC)cc2)C(=O)NC3=O)cc1 13735549 SNNZHOLVTLIFSO-UHFFFAOYSA-N 389.411 4.075 0 1 GIAF CC(=O)O[C@H]1O[C@@H]2OC(=O)C[C@@H]2[C@@H]1[C@]1(C)CC[C@H]2C(=CCCC2(C)C)[C@H]1C 14584413 VBKKDDNQMXQEGC-GJXZZDLNSA-N 376.493 4.210 0 1 GIAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCc1cccc2ccccc12 26948388 ZBBHEAVESUUDTN-FQEVSTJZSA-N 395.499 4.269 0 1 GIAF CSc1ncc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(Cl)cc1 28713607 PEUJPFUTHRBGQY-UHFFFAOYSA-N 378.906 4.318 0 1 GIAF CCOC(=O)C[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34801229 BKHTUFWIZQYTIT-IHNHSOLSSA-N 375.553 4.419 0 1 GIAF O=S(=O)(NCCCCNc1ccnc2cc(Cl)ccc12)c1ccccc1 35190801 NVYCZVABUVLQMX-UHFFFAOYSA-N 389.908 4.059 0 1 GIAF CCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccc(Cl)cc1 40423326 JBJOHTROOZCJNV-HXUWFJFHSA-N 388.895 4.424 0 1 GIAF COc1cccc2c1CCC[C@H]2CCC(=O)N1CCN(C2CCCCC2)CC1 45286371 HFJOSVHIASIIRD-IBGZPJMESA-N 384.564 4.372 0 1 GIAF CC(=O)Nc1nc2ccc(-c3ccnc(OCc4ccccc4)n3)cc2s1 71316810 QQMTULZCROIZSU-UHFFFAOYSA-N 376.441 4.291 0 1 GIAF O=C(O)c1c(O)c(Cc2cc3ccccc3c(C(=O)O)c2O)cc2ccccc12 71789611 YEGPIIDITPNPQN-UHFFFAOYSA-N 388.375 4.391 0 1 GIAF CN(C)CCCNCc1coc(-c2ccc(OCCc3ccccc3)cc2)n1 72182458 WFDJXFOEBGBDKP-UHFFFAOYSA-N 379.504 4.004 0 1 GIAF CCCCNc1nc(NCCCN(CC)CC)nc2cc(OC)c(OC)cc12 82129347 WBJPDSPHBGDDJL-UHFFFAOYSA-N 389.544 4.003 0 1 GIAF CN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(N2CCNCC2)cc1 84635931 VVLMVMQNQKVXTF-UHFFFAOYSA-N 395.890 4.286 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4Cl)ccc31)[C@H]1CC[C@H](C2)N1 100632945 DCRNVIQIHXGGBH-MLGOLLRUSA-N 386.904 4.014 0 1 GIAF CS(=O)(=O)c1ccc(-c2nc3c(n2-c2ccc(Cl)cc2)CCCC3)cc1 103171931 FATSHCYJTBOXKX-UHFFFAOYSA-N 386.904 4.475 0 1 GIAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2)cc1 103545426 SENCCVZEAUOJQX-GOBJLOIFSA-N 390.443 4.359 0 1 GIAF CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3F)[nH]2)cc1 146985054 DXXFNDQZWIRVLJ-UHFFFAOYSA-N 386.452 4.049 0 1 GIAF CC(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@H](C(=O)COC(=O)/C=C/c3ccccc3)[C@@H]12 238767024 FAXXBSGOEYEFII-MCVLIOKSSA-N 384.516 4.272 0 1 GIAF CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4c(F)cc(C)cc43)CC2)CC1 261186752 XSDXQFXBUOFSAB-VVOJOOEHSA-N 390.499 4.417 0 1 GIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(S)nc(S)nc3[nH]2)cc1 586881627 WWKBLYNPDOWJRI-UHFFFAOYSA-N 394.481 4.271 0 1 GIAF O=[S@](Cc1nc2ccc(CCO)cc2[nH]1)C(c1ccccc1)c1ccccc1 586961502 VRASQMCTTVNJEN-MUUNZHRXSA-N 390.508 4.136 0 1 GIAF Ic1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587035920 XCERPXQTTYZYGA-ZDUSSCGKSA-N 396.253 4.086 0 1 GIAF N=c1nc(O)c2nc(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)[nH]c2[nH]1 587073959 REQAFNBMKVWMSB-QINSGFPZSA-N 391.862 4.298 0 1 GIAF Clc1cccc(C2(c3nc4cccc(I)c4[nH]3)CC2)n1 587084763 SMYQXENTUYMLAX-UHFFFAOYSA-N 395.631 4.296 0 1 GIAF O=C(O)c1cccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587165673 ALKABGMSSVHLOQ-UHFFFAOYSA-N 392.415 4.367 0 1 GIAF C[C@@]1(c2nc3ccc(F)c(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174423 PIDHMQOFZFWVGY-KRWDZBQOSA-N 393.187 4.232 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCc3ncccc3C2)[C@@H]1c1ccc(F)cc1 587350080 WOORBFLUXPJLDB-GGAORHGYSA-N 375.399 4.213 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(OCC)cc1)CC2=O 587479203 LZCDACTXQKZLBZ-QHCPKHFHSA-N 398.455 4.167 0 1 GIAF O=C1C[C@H](c2ccc(Cl)nc2N2CCOCC2)Oc2c1ccc1c2CCCC1 587496302 BDQWBVWVJHRPMI-LJQANCHMSA-N 398.890 4.157 0 1 GIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1O 587545774 PKPVMMRHORUSAY-KKSFZXQISA-N 398.798 4.463 0 1 GIAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587593498 DVIALUXCBWUIOM-UGKGYDQZSA-N 378.380 4.199 0 1 GIAF CC1(C)C[C@]2(CC[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587607433 IOFOTBHXHWXJIZ-JKXTWKSPSA-N 382.412 4.004 0 1 GIAF C[C@@H](C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650113 XKLBYCSFVSQEHP-SNVBAGLBSA-N 377.849 4.080 0 1 GIAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1F 587721981 XHQRRMYLUGQWQJ-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3ccc(F)cc32)N1 587736658 WRDWSVMLXRGXKV-YPMLDQLKSA-N 379.248 4.321 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cccc(F)c32)N1 587738915 RUHPIIZBQSIQFB-XTZNXHDOSA-N 380.232 4.288 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3cn(C)nc3c2)N1 587759746 MOXUBZQWEXDQJO-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF CCOC(=O)C[C@@]1(CC2CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587795342 IMXGGUHSTZNIFV-ADLMAVQZSA-N 384.289 4.071 0 1 GIAF COC(=O)C[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587805608 IAHKBZXXVPVOKA-SUFBMKPHSA-N 384.289 4.071 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(CCC(=O)O)c2)N1 587826450 HKBQFYKYVIJARJ-NSPYISDASA-N 392.268 4.229 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2nccs2)N1 587855747 VXHZHCFSNDFLCM-ABKXIKBNSA-N 383.286 4.067 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(OC(F)F)cc1 587871459 XOMHEGVNZDLBLT-UHFFFAOYSA-N 376.334 4.378 0 1 GIAF COc1ccccc1-c1cc(O)n([C@H](COc2cc(F)cc(F)c2)N=O)c1O 587946686 YYIZRVQRQIMZQJ-QGZVFWFLSA-N 390.342 4.197 0 1 GIAF COc1ccc2c(c1)[C@@](Cn1ccnc1)(c1cccc(F)c1)N(C(C)C)CC2 962085931 CCRZWGWNSLESPI-HSZRJFAPSA-N 379.479 4.241 0 1 GIAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@H]3c3cnc4ccccn34)C2)cc1 962648671 XYIJXVVHZMEXLB-OFVILXPXSA-N 380.495 4.171 0 1 GIAF CN1C(=O)[C@@]2(c3ccc(F)cc3C[C@H]3CCCN32)c2cc(Cl)cc(Cl)c21 963114691 WFHSKPSCFBMYBX-JLTOFOAXSA-N 391.273 4.373 0 1 GIAF CCCNC(=O)c1cc2c(cc1OC)[C@@]1(C)Cc3nc(C)oc3C(C)(C)[C@@H]1CC2 1772582487 PJHJSGPNAARHSM-GBXCKJPGSA-N 396.531 4.485 0 1 GIAF COc1cc(C(=O)c2cnc(-c3c[nH]c4c(C)cccc34)[nH]2)cc(OC)c1OC 1857545863 JXHNTILYTVTYTI-UHFFFAOYSA-N 391.427 4.123 0 1 GIAF CC(C)(C)N1CCO[C@@H](COc2ccc(NC(=O)NC3CCCCC3)cc2)C1 1857608423 PSVUAGRHPQWOOO-HXUWFJFHSA-N 389.540 4.019 0 1 GIAF COc1cc(COC(=O)c2ccc3c(c2)C=CC(C)(C)O3)cc(OC)c1OC 594351 KGQMIJVIIHJLMD-UHFFFAOYSA-N 384.428 4.254 0 1 GIAF O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773410 LQNPARKDORYGBC-HOTGVXAUSA-N 386.448 4.243 0 1 GIAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773566 HKBWKPOCLIMDFE-LRDDRELGSA-N 388.464 4.346 0 1 GIAF O=C(O)c1ccccc1-c1ccc(Cn2c(C3CC3)nc3c(CO)ccnc32)cc1 1484078 WXTNVJLODIQSDV-UHFFFAOYSA-N 399.450 4.215 0 1 GIAF CC[C@H](C(=O)NCc1ccc(C)cc1)N1C(=O)COc2ccc(C(C)(C)C)cc21 2953485 SCKOXUGGRSIFEN-LJQANCHMSA-N 394.515 4.113 0 1 GIAF O=C(OCc1ccccc1)[C@@H]1CCCN1C(=S)NC12CC3CC(CC(C3)C1)C2 13441752 GQOAXLMXIQQPNP-QSVDNLTKSA-N 398.572 4.038 0 1 GIAF Cc1nc2cnccc2n1CC1CCN(C(=O)C[C@H](C)c2ccccc2)CC1 13745815 SYYCMHDHRQGFOI-KRWDZBQOSA-N 376.504 4.172 0 1 GIAF COc1cc(O)c2c(c1)O[C@H](c1ccc(OCC=C(C)C)c(OC)c1)CC2=O 14728355 QWIIYBSNKMRSLQ-IBGZPJMESA-N 384.428 4.461 0 1 GIAF biogenic CC[C@@H](c1ccccc1)c1n[nH]c2c1CN(Cc1nc(C)c(C)nc1C)CC2 20866688 QSDKWUGZOOCNSB-IBGZPJMESA-N 375.520 4.225 0 1 GIAF CCc1nc(-c2ncn3c2CN=C(c2ccccc2)c2cc(Cl)ccc2-3)no1 26380761 OKQXONUDCAHMJS-UHFFFAOYSA-N 389.846 4.489 0 1 GIAF CN1CCN(CCOc2ccc(-c3cc(-c4ccc(Cl)cc4)on3)cc2)CC1 28371369 OGVYFKNFHQOCMB-UHFFFAOYSA-N 397.906 4.288 0 1 GIAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc(F)cc3)n2)C1 82140731 BRTDFGJFIVMRTM-IRXDYDNUSA-N 396.510 4.391 0 1 GIAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)N2CCCC2)c1 82146209 ODZQIKUGPJXFPO-ROUUACIJSA-N 378.520 4.170 0 1 GIAF OC[C@H]1Nc2ccc(-c3cccc(F)c3)cc2[C@H]2[C@@H]1CCN2Cc1ccncc1 95878852 ZBWANAPTTFSGLR-AGILITTLSA-N 389.474 4.237 0 1 GIAF COc1cc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2c(OC)c1OC 96916670 GINRQTFGPTUSIH-UHFFFAOYSA-N 379.338 4.418 0 1 GIAF c1ccc(-c2csc3ncnc(N4CCC(CO[C@@H]5CCOC5)CC4)c23)cc1 146359189 KVJCTOTZDHIHMR-GOSISDBHSA-N 395.528 4.380 0 1 GIAF CN1Cc2cc(CN3CCOCC3)ccc2[C@H](c2ccc3sccc3c2)C1 165268266 VGAJKWKQOHMKHS-QFIPXVFZSA-N 378.541 4.311 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169338538 GNWBLLYJQXKPIP-CLKHMLALSA-N 388.596 4.334 0 1 GIAF OCCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccc(Cl)cc1)[C@@H]23 169338723 RRXAVFYUKAUFBY-PDGJWGCVSA-N 376.972 4.177 0 1 GIAF O=c1c2cn[nH]c2c2ccc(-c3cccc(Cl)n3)cc2n1CC(F)(F)F 205102470 YUHHMYWDLDSFOQ-UHFFFAOYSA-N 378.741 4.156 0 1 GIAF CCS(=O)(=O)c1ccccc1-c1nc2cc(C)c(Br)cc2[nH]1 586923009 VLFRSDJANYVGTG-UHFFFAOYSA-N 379.279 4.094 0 1 GIAF Oc1nccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c12 587019498 LRWXILJPFAUHAI-UHFFFAOYSA-N 393.291 4.202 0 1 GIAF FC(F)(F)[C@](F)(Cl)c1nc2ccc(I)cc2[nH]1 587090820 YOXVYGYPROKOMY-QMMMGPOBSA-N 378.494 4.091 0 1 GIAF C[C@@]1(c2ccnc(Cl)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336727 ZJRSGEUYDSDYIP-PXNSSMCTSA-N 384.794 4.249 0 1 GIAF CCOC(=O)[C@H](Cc1cccc(C)c1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399782 MFPXCLUTFMVACD-FDDCHVKYSA-N 381.472 4.032 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(Br)c(F)c1)[C@@H](C2)C3=O 587425305 BLJFBQJDDSWKJL-ORAYPTAESA-N 391.236 4.346 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccco1)(c1coc4ccc(O)cc14)[C@@H](C2)C3=O 587455015 HOBVFCWGYDQTIV-HJPURHCSSA-N 388.375 4.431 0 1 GIAF COC(=O)[C@]1(c2cn(C)c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587515990 QBZMPJWNTGFTIC-XMMPIXPASA-N 389.451 4.091 0 1 GIAF COc1c(F)ccc(F)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557320 MSHYWYQYNWFQJB-LAUBAEHRSA-N 384.334 4.382 0 1 GIAF CCOC(=O)C1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CCCC1 587592655 BJDLEBUGQBYYNR-XMSQKQJNSA-N 396.439 4.236 0 1 GIAF C[C@H](CCCCC(=O)O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605103 XHSZKTGMSWFYSM-WTGRHJARSA-N 384.428 4.394 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC=C2Br)N1 587687666 ZOCHWOOLHBQVAV-RTHLEPHNSA-N 375.079 4.390 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2n[nH]c3ccc(F)cc23)N1 587735779 VDNDBRHXUQNEAV-PWJLMRLQSA-N 378.220 4.227 0 1 GIAF CC(=O)c1cc(N)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587744723 IFYQFSNJDSSMNS-OVWNDWIMSA-N 391.284 4.171 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCNC(=O)C2CCCC2)N1 587757490 VIPZVKUOBBEUTQ-XIKOKIGWSA-N 397.332 4.250 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cccn2)(C(C)(C)C)N1 587762709 ZSGUPLKZPFWGBJ-KZULUSFZSA-N 380.305 4.261 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nn(C(C)(C)C)cc2O)N1 587762784 FZUIROODOCXMNH-YPMLDQLKSA-N 396.304 4.043 0 1 GIAF CC(C)=CCN1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587770198 QZXPXEDQYMVLJA-CQSZACIVSA-N 381.333 4.380 0 1 GIAF CCOC(=O)[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587797716 NBMCIBYXCZDXAN-SUFBMKPHSA-N 384.289 4.071 0 1 GIAF COc1ccc(Cn2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1OC 587868791 SQBFKEYXLLTYPN-UHFFFAOYSA-N 393.365 4.038 0 1 GIAF C[C@@]1(c2ccc(Cl)nn2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962639270 PYBCYQRRKAPKKK-XXBNENTESA-N 390.918 4.140 0 1 GIAF CC(C)c1nn(C)c2c1[C@](C(F)(Cl)Cl)(C(Cl)(Cl)Cl)NCC2 962918340 IFPQTXVTUIEDDI-SNVBAGLBSA-N 397.536 4.356 0 1 GIAF COc1ccc2c(c1OC)[C@H](CC1CCC1)N(C(=O)c1ccccc1N)CC2 963156202 OXNFWHQZVYSUAJ-IBGZPJMESA-N 380.488 4.216 0 1 GIAF CCOc1ccc(Cl)cc1[C@]1(C)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963219764 IFSSRRLJUDFZOX-KNQAVFIVSA-N 396.874 4.149 0 1 GIAF Cc1cccc(Cl)c1-n1cnc2[nH]c(=Nc3cccc(F)c3)sc2c1=O 1857545836 ZZZUGRQFGZKTIB-UHFFFAOYSA-N 386.839 4.109 0 1 GIAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](O)[C@H]2c1ccc(=O)oc1 2356420738 LOQBMALJVSKCDP-XHXOKSANSA-N 386.532 4.098 0 1 GIAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@H]2[C@]1(C)CO 2356424282 MIINYRAQNGHRNA-GIGYVVOSSA-N 378.509 4.110 0 1 GIAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773565 HKBWKPOCLIMDFE-WBMJQRKESA-N 388.464 4.346 0 1 GIAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC(P(=O)(O)O)P(=O)(O)O 1534685 QBAOBDKNTDWTHR-YFVJMOTDSA-N 380.358 4.477 0 1 GIAF in-vitro Cc1cc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)ccc1F 3814672 OQARYRSGLRPZDG-UHFFFAOYSA-N 377.387 4.394 0 1 GIAF O=C(NC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(C(=O)O)cc1Cl 3818690 KLLAMTNGEPIHSI-UHFFFAOYSA-N 387.606 4.307 0 1 GIAF CC(=O)Nc1nc2ccc(-c3ccnc(OCc4ccc(F)cc4)n3)cc2s1 71318275 HWTYHHZOSDXWKF-UHFFFAOYSA-N 394.431 4.430 0 1 GIAF C[C@]12C[C@@H](NC(=O)N1c1ccccc1F)c1cc(Br)ccc1O2 101092402 ICGSIBIWMNFGKA-DYVFJYSZSA-N 377.213 4.358 0 1 GIAF CCc1cccc2c1n(CC)c(=N)n2CC(=O)c1ccc(Br)cc1 102981841 GTTVKNOBAKSFOI-UHFFFAOYSA-N 386.293 4.150 0 1 GIAF CCCN(CC)C(=O)c1cn(C)nc1O[C@@H](C)c1cccc(Br)c1 103289035 UYNNRRBXKAQCQD-ZDUSSCGKSA-N 394.313 4.195 0 1 GIAF Cc1oncc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 117419817 JLGFZBLOESSPHG-UHFFFAOYSA-N 376.338 4.317 0 1 GIAF COc1ccc(OC)c(-c2cccc3c(N)c4c(=O)n(C5CCC5)cc-4[nH]c23)c1 169729120 TWKUMWMDPPLBSS-UHFFFAOYSA-N 389.455 4.426 0 1 GIAF Oc1ccc2cc1COCC=CCOCc1cccc(c1)-c1ccnc(n1)N2 254134960 UVANEUUATLLBKA-UHFFFAOYSA-N 375.428 4.196 0 1 GIAF N=c1[nH]c2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)nc-2c(Cl)[nH]1 587014790 ZBNYLKXOICKLHI-UHFFFAOYSA-N 397.678 4.468 0 1 GIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 587041596 ZTWFDORTTJJDRF-VIFPVBQESA-N 375.828 4.477 0 1 GIAF Cc1c(Br)cnc2[nH]c(-c3ncoc3CCC(F)(F)F)nc12 587093086 UJAHNOIHVNZLNE-UHFFFAOYSA-N 375.148 4.179 0 1 GIAF CCCOc1cc2[nH]c(-c3cccnc3N(C)C)nc2cc1Br 587195469 HXPQLKRYODWUFH-UHFFFAOYSA-N 375.270 4.242 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(C)cc1F)[C@@H](C2)C3=O 587422248 CLCRMCYJKIKNLN-SGTLLEGYSA-N 377.209 4.394 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(C(C)C)cc1)[C@@H](C2)C3=O 587427587 DWHIARSYLWINJX-MBSDFSHPSA-N 379.456 4.354 0 1 GIAF CCOc1ccc(-n2cccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587431071 MJDQFFDHJAQCML-WZONZLPQSA-N 375.424 4.373 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1nc(C)cc(C)n1)CC2=O 587472092 XZTKTLOSGZTRIV-FQEVSTJZSA-N 377.444 4.249 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)nc1 587548116 SCICKUNQDMUKKF-LPHOPBHVSA-N 398.212 4.253 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cn2cc(Cl)ccc2n1 587552522 SCAAMKIMVJMOAY-WIYYLYMNSA-N 392.798 4.396 0 1 GIAF CCn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587583446 WIUWUZNGMJHSKY-WMZHIEFXSA-N 386.407 4.465 0 1 GIAF CCOC(=O)C[C@@]1(CC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595217 KDGRQLHUEZUPBK-XXBNENTESA-N 398.455 4.482 0 1 GIAF O=C(COc1ccc(-c2ccccc2)cc1)n1ncc2ccc(Cl)cc2c1=O 587651903 GUMQLFPYDSYBLC-UHFFFAOYSA-N 390.826 4.436 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(C(=O)c2ccc(F)cc2)N1 587727647 BYRKANWQAMLZIC-YPMLDQLKSA-N 380.232 4.360 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccc(O)c3n2)N1 587776454 CVPINRZSRCCNQI-GIGQVBGESA-N 387.252 4.466 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587800478 XPYDWSXURYEPKH-XOMVMTSMSA-N 398.316 4.317 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C[C@H](CC(=O)O)C2(C)C)N1 587832591 ZGGCJKPPVMZNMA-ZRXDBEOPSA-N 398.316 4.475 0 1 GIAF COc1ccc(-c2ccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c(O)c2)cc1OC 587925973 GISDJCQNUDFLDD-UHFFFAOYSA-N 386.411 4.496 0 1 GIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(Br)c(C)c3[nH]2)cc1 587938325 UYMMWGRMNBIVIT-DIFFPNOSSA-N 375.266 4.480 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@]12CCC[C@H](c1ccnn1C)C2 962369376 DAWFDIMZYSVONJ-HTAPYJJXSA-N 380.561 4.432 0 1 GIAF BrC1([C@@H]2c3ccsc3CCN2Cc2ccco2)CCOCC1 962713855 WYXXXPJZIYNAOR-INIZCTEOSA-N 382.323 4.385 0 1 GIAF Cc1cccc([C@]2(c3cc(F)cc(F)c3)NCCc3nc4ccccn4c32)c1 962989337 ZRNOETYGARMOBZ-HSZRJFAPSA-N 375.422 4.359 0 1 GIAF CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)c1ccccc1OC(C)=O)[C@@H]23 1772594108 JCYLPVUAFUWVKS-KPYOPSEVSA-N 398.547 4.117 0 1 GIAF Cc1nc(CCN(C)CCN(C)Cc2ccccc2)cc(-c2cccs2)n1 1857543483 XKBJEPSSIRTCQR-UHFFFAOYSA-N 380.561 4.120 0 1 GIAF CC(=O)c1cccc(N=c2ccnc(SCC(=O)c3ccc(Cl)cc3)[nH]2)c1 1857591806 OVPIWMWOQCUHCR-UHFFFAOYSA-N 397.887 4.473 0 1 GIAF C[C@@H](Cn1c(=O)sc2cc(C(=O)C34CC5CC(CC(C5)C3)C4)ccc21)N(C)C 1857594231 JZDGRXXXDPPIQV-NSDYXAQKSA-N 398.572 4.412 0 1 GIAF C[C@H](NC(=O)c1ccc(Cl)cc1)c1c(-c2ccc(F)cc2)noc1C(=O)O 2356302500 XBFMGQWDCQRPNH-JTQLQIEISA-N 388.782 4.323 0 1 GIAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 2356810705 BASPEALOGWANGT-VGODBFGLSA-N 392.580 4.478 0 1 GIAF Cc1ccccc1-n1ncc([C@H](C)NS(=O)(=O)c2ccccc2Cl)c1C 12314354 DSKAAHOXNMSCJM-AWEZNQCLSA-N 389.908 4.182 0 3 GIAF Cc1cc(C)c(CN2CCCN(Cc3ccc(Cl)cc3)S2(=O)=O)c(C)c1 6945321 RYKIUQVZSAUMBL-UHFFFAOYSA-N 392.952 4.218 0 1 GIAF COc1ccc(-c2nc([S@@](=O)CSC)[nH]c2-c2ccc(OC)cc2)cc1 28219541 GOJZJBQGEIQCIL-AREMUKBSSA-N 388.514 4.189 0 1 GIAF O=C(CCCC(=O)c1ccccc1)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28378377 GRIUBGJVTMJYGH-NRFANRHFSA-N 398.934 4.474 0 1 GIAF COC(=O)CCC(=O)Nc1cc(OCc2ccc3ccccc3n2)ccc1C 29222527 FTHNJZAUVDMRSY-UHFFFAOYSA-N 378.428 4.014 0 1 GIAF COc1cc2nc(/C=C/c3ccccn3)n(-c3ccccc3C)c(=O)c2cc1OC 29483758 FDSWSORGGLECFV-VAWYXSNFSA-N 399.450 4.277 0 1 GIAF O=C(Nc1ccc(N2CCNCC2)cc1)c1ccc(-c2ccc(Cl)s2)o1 84619457 RMSJFISUQPTNAQ-UHFFFAOYSA-N 387.892 4.323 0 1 GIAF CCN(CC(F)F)c1ncc(-c2cnnc3cc(OC)c(OC)cc23)cc1C 84690537 DBYKYMVVCSQQOF-UHFFFAOYSA-N 388.418 4.109 0 1 GIAF Cc1ccccc1CN(C)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O 84722883 QFRYTTVZQDZDTB-UHFFFAOYSA-N 385.467 4.440 0 1 GIAF COc1ccc([C@@H]2[C@@H]3CCC[C@H](C3=O)[C@H](c3ccc(OC)cc3)N2N=O)cc1 195477583 QWNRHWNQHLYNSX-XSDIEEQYSA-N 380.444 4.469 0 1 GIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(F)cc(Br)c2[nH]1 587175635 VOHLKYRDYYGQAF-CYBMUJFWSA-N 391.219 4.327 0 1 GIAF Fc1ncc(Br)cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587177910 GIXVCKOVNROWEG-UHFFFAOYSA-N 376.107 4.425 0 1 GIAF CC(=O)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354174 NJHHCOSYWPKBLO-GMAHTHKFSA-N 376.383 4.375 0 1 GIAF O=C(O)[C@@H]1CCCC[C@@H]1c1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)cc1 587369085 UEXLNFCWAIKEGD-QWHCGFSZSA-N 399.834 4.115 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CC(C)C)([C@H](C)NC(=O)OC(C)(C)C)O2 587391164 SQJZHWGKQOGRAL-LHSJRXKWSA-N 376.497 4.241 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(Br)c1)[C@@H](C2)C3=O 587413784 QFUZMWIXGHKGNZ-DJJJIMSYSA-N 389.245 4.129 0 1 GIAF CCCc1c(O)ccc2c1O[C@](COc1ccccc1)(CC(=O)OCC)CC2=O 587485347 VLWNAOLGMOBBAD-QHCPKHFHSA-N 398.455 4.081 0 1 GIAF COc1ccc2c(c1F)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573566 ZQIMMCFLRAPUNP-WMZHIEFXSA-N 392.382 4.343 0 1 GIAF COC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587614351 RZBMRAJOGBCKQN-UWJYYQICSA-N 396.420 4.117 0 1 GIAF CC(=O)C[C@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587726288 HXPFXEQVSYUMHV-JEOXALJRSA-N 394.259 4.484 0 1 GIAF CCC[C@@]1(c2c[nH]c(C(=O)O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587795938 YWORPTGUVJCJFJ-MGNBDDOMSA-N 395.272 4.192 0 1 GIAF COC(=O)[C@@H]1CCC[C@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587809559 RYKJEOIBEQGGHZ-VNBZBWLYSA-N 384.289 4.071 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(=O)O)(c2ccccc2)N1 587826494 HNYMWLCUGOFQOQ-MOXOXSOXSA-N 390.252 4.007 0 1 GIAF COc1ccc2c(c1)OC=C[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587840308 IETZIKYDFLAKSW-WLRWDXFRSA-N 390.252 4.281 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)NCC(F)(F)F 587864099 CKRUQAAKPRCUNZ-UHFFFAOYSA-N 381.276 4.088 0 1 GIAF O=C(O)CCc1ccc(-c2ccccc2)n1-c1n[nH]c(-c2ccccc2F)n1 587946750 WNIGYEICLNCKQJ-UHFFFAOYSA-N 376.391 4.086 0 1 GIAF Cc1ccc2ncccc2c1[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962968323 OHGWEKFBLFKUQJ-KXBFYZLASA-N 388.801 4.163 0 1 GIAF CC[C@@]1(c2ccncc2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963192019 XULZDDLCDFHCKE-RDJZCZTQSA-N 384.785 4.006 0 1 GIAF COc1ccc2c(c1)[C@@H](c1cccnc1N(C)C)N(Cc1ccc(F)cc1)CC2 963288458 BJLRPQNJOXOEQB-HSZRJFAPSA-N 391.490 4.443 0 1 GIAF CN1CCc2c(Br)cccc2[C@]1(c1ccncc1)[C@@H]1CCSC1 963290728 XUZUUTBWEBTNHF-BEFAXECRSA-N 389.362 4.329 0 1 GIAF COc1cc2c(c(OC)c1OC)-c1cc3cc([C@@H](C)O)oc3cc1[C@H](O)CC2 1772636971 OANSUPXVOFHHME-BDJLRTHQSA-N 384.428 4.159 0 1 GIAF COc1ccccc1N1CCN(CC[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 1857639509 ODGISAOEZZTPKC-LJQANCHMSA-N 395.330 4.248 0 1 GIAF CC(=O)OC[C@@H]1c2cc(C(C)=O)ccc2[C@]2(C)CCC[C@](C)(COC(C)=O)[C@@H]12 2356583657 CURFKBQZBNWQKE-ADHNFCLRSA-N 386.488 4.177 0 1 GIAF COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccc(Br)cc1 3814781 VYGRRQURXQHVSD-UHFFFAOYSA-N 388.261 4.396 0 1 GIAF O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4051681 MVAQCLDSBHSQPH-CTNGQTDRSA-N 392.480 4.035 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214643 OUAMMVPUGWXLEZ-LULLPPNCSA-N 378.538 4.182 0 1 GIAF COc1ccc(CNC(=O)c2oc3ccc4c(c3c2C)C(=O)CC(C)(C)O4)cc1 6750644 GUYHQXKWOQRSMT-UHFFFAOYSA-N 393.439 4.424 0 1 GIAF COc1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 13123680 MBVAUKGGLPANSV-GPNHMRGISA-N 377.440 4.275 0 1 GIAF COc1ccc([C@H]2/C=C/CN(CC(C)C)CC(=O)N2Cc2cccc(F)c2)cc1 34960809 IRRUMAHLWIUQQB-NPOAWEEOSA-N 396.506 4.432 0 1 GIAF O=C(NC[C@H](c1ccccc1)n1ccnc1)c1ccc(Cc2ccccc2)cc1 53294427 JEOYVBVVIJCTNC-XMMPIXPASA-N 381.479 4.493 0 1 GIAF Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1 72170902 XNPIJCHKBZNPOM-UHFFFAOYSA-N 386.860 4.007 0 1 GIAF Cc1ccc(CNc2ncc(C(=O)N3CCCCC3)c(-c3ccccc3F)n2)o1 82152038 QVAFDJAMFUXRLP-UHFFFAOYSA-N 394.450 4.422 0 1 GIAF O=C(NCc1ccccc1)c1cnc(NCC2CC2)nc1-c1ccccc1F 82152350 VARJVYFRLGRYHM-UHFFFAOYSA-N 376.435 4.035 0 1 GIAF COc1ccc2c(c1)Oc1ncn3nc(C)nc3c1[C@H]2c1ccc(Cl)cc1 95597444 NNLWOSSMVWZWJB-KRWDZBQOSA-N 378.819 4.381 0 1 GIAF C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12CO)N(C)C 121266054 UCNIUVSOJLHWRM-DPBQVHGISA-N 388.640 4.418 0 1 GIAF O=C(CNc1ccccc1)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1 142280454 GWVIAICRRQXYCV-UHFFFAOYSA-N 391.378 4.242 0 1 GIAF COc1ccc2c(cc(-c3nc(Cl)ccc3O)n2C(=O)OC(C)(C)C)n1 146651281 XFWPHBKHCDRIAG-UHFFFAOYSA-N 375.812 4.249 0 1 GIAF COc1c(O)cc2c3c1COc1cc(O)c(Cc4ccc(O)cc4)c(c1-3)CC2 238789206 FTSAWCCJSNGRDZ-UHFFFAOYSA-N 376.408 4.061 0 1 GIAF COc1cc(O)cc(O)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993652 YYOBSCCBZMPCJZ-UHFFFAOYSA-N 385.375 4.239 0 1 GIAF Cc1cnc2[nH]c([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2c1 587030432 DXOYHSMHMJVFGT-HKMIMPICSA-N 385.518 4.393 0 1 GIAF COc1ccc(-c2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)c(F)c2)c(F)c1 587150896 GBEDGWUHWJBORA-UHFFFAOYSA-N 379.366 4.283 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587190309 HKDVKOFOBFOYQP-KRWDZBQOSA-N 399.422 4.357 0 1 GIAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCCOC 587401012 UFEADLUJSJEFFG-FQEVSTJZSA-N 385.460 4.098 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1c(C)[nH]c(-c4ccco4)nc1=S)[C@@H](C2)C3=O 587451593 KAVBQNQKPUBOOL-ZSEKCTLFSA-N 394.452 4.379 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1OCC(=O)OCC)CC2=O 587486257 ZBGCMFWZZODNNK-HSZRJFAPSA-N 398.455 4.167 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(O[C@@H](C)C(=O)O)c1)CC2=O 587486614 RVJJRFXCFAMMEN-WHEQGISXSA-N 384.428 4.077 0 1 GIAF C[C@@]1(c2ncc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567381 HJDXOICTSPADAU-OXQOHEQNSA-N 385.778 4.457 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)c(F)cc12 587572090 RNYODFCAJGBEMM-UGKGYDQZSA-N 380.346 4.474 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(F)ccc(F)c32)N1 587735332 TXDIFFZDMQZLDS-YYSFKGJASA-N 398.222 4.427 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nn(C(C)(C)C)cc2O)N1 587762782 FZUIROODOCXMNH-XTZNXHDOSA-N 396.304 4.043 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(Cc3ccccc3)C2)N1 587770693 SQNRGRYRZLFGCX-JLTOFOAXSA-N 389.312 4.224 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)c1ncccc1-c1cccnc12 587777299 GPORWAMORXYCSO-NSHDSACASA-N 396.263 4.185 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC2CCCCC2)(C(=O)O)N1 587829227 RDIAKTUPSDEICS-ADLMAVQZSA-N 384.289 4.373 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CNc1ccccc1C 587868215 XRMJGDNKFOQWDY-UHFFFAOYSA-N 390.365 4.033 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCc1ccc(OC)cc1 587872164 JBWWBQPVDNGKGF-UHFFFAOYSA-N 385.464 4.019 0 1 GIAF COC(=O)c1cc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2c(F)c1Nc1ccccc1 587963834 UINZOVMPDLYLOO-QWHCGFSZSA-N 395.434 4.390 0 1 GIAF CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(Cc4cccc(C(=O)O)c4)[C@@H]3C[C@H]21 618016760 CDMVDAGGTPIQKN-CZAYHTPWSA-N 393.483 4.277 0 1 GIAF COCCCN1CCc2ccc(OC)cc2[C@H]1c1c(Cl)cncc1Cl 961321997 KSMIIPTWBMMKLH-IBGZPJMESA-N 381.303 4.381 0 1 GIAF COc1ccc2c(c1OC)[C@](Cc1ncccc1C)(C(F)(F)F)N(C)[C@H](C)C2 962560535 CQVAQDPAVMJHRG-JLTOFOAXSA-N 394.437 4.284 0 1 GIAF Cc1ccc([C@]2(C3CC3)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N32)cc1 962667583 NMAJNRSBEDNMKQ-RPBOFIJWSA-N 386.495 4.295 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)C2(CC(c3ccc(Cl)cc3)C2)N1 963227017 LRVYIDIRSBZAAO-HXYQTYRISA-N 378.859 4.260 0 1 GIAF CCOc1ccc2c(c1OC)CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)[C@H]2C 1772587103 OCNZUVWMFVQZPS-IRXDYDNUSA-N 396.531 4.410 0 1 GIAF O=C(NC[C@@H]1CCCN(C2Cc3ccccc3C2)C1)c1cccc2ccccc12 1772651232 UVZNMNZCTSODAE-IBGZPJMESA-N 384.523 4.449 0 1 GIAF Nc1c(Cl)cc(C(=O)N2CC34[C@H]5CC[C@H]6C5C5[C@H]3CC[C@H]5C64C2)cc1Cl 1857631879 GDMHWYLCKKEYOO-LDSYGEJDSA-N 389.326 4.330 0 1 GIAF CC[C@]1(C)C[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@](C(=O)OC)(C2)[C@]31C 2356331204 YGRJGDBMLTZRLL-DVSNZQAGSA-N 396.531 4.044 0 1 GIAF CC1=C[C@H](CN(C)CCc2ccccn2)[C@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356836173 KXVHCRYCYMBHEN-SJBKTWHCSA-N 382.552 4.345 0 1 GIAF CCOc1ccc(C(=O)c2cnc3ccccc3c2N2CCN(CC)CC2)cc1 4313813 MOFBYYKEYCJINR-UHFFFAOYSA-N 389.499 4.006 0 3 GIAF Cc1ccccc1Cn1c(C)c(C(=O)NCc2cccc(Cl)c2)sc1=O 61896402 DQRDGDNWHWWYPI-UHFFFAOYSA-N 386.904 4.158 0 3 GIAF CC(C)C[C@H]1NC(=O)c2cc(Cl)ccc2-n2c1nc1cc(F)ccc1c2=O 61949354 PAQMPPYZVHANRF-MRXNPFEDSA-N 385.826 4.009 0 3 GIAF Cc1[nH]nc2c1[C@@H](c1ccc(Br)cc1)N(Cc1ccccc1)C2=O 199729465 JLJDCRGZACXBGC-GOSISDBHSA-N 382.261 4.226 0 3 GIAF COc1ccc(Nc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1OC 5854311 AMDGRINHHRBMDZ-UHFFFAOYSA-N 387.443 4.222 0 1 GIAF COc1ccc(-c2nnc(C3CCN(C(=O)c4c(F)cccc4F)CC3)o2)cc1 6737483 LVXCTYOPBGZLGM-UHFFFAOYSA-N 399.397 4.043 0 1 GIAF CCCN1CCN(C(=O)c2oc3ccccc3c2NC(=O)C2CCCCC2)CC1 9265307 NNAOEJBCASCXBL-UHFFFAOYSA-N 397.519 4.119 0 1 GIAF CNC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 13795571 SJGDVQIERSGJRH-HSZRJFAPSA-N 395.462 4.119 0 1 GIAF COc1ccccc1N1CCN(CC[C@H](O)c2ccc3ccccc3c2)CC1 13861794 XDJFULURKYWPBY-QHCPKHFHSA-N 376.500 4.094 0 1 GIAF CS(=O)(=O)c1ccc(-c2occ(Cl)c(=O)c2-c2cccc(F)c2)cc1 26290003 OHCLXXFQIPGZRS-UHFFFAOYSA-N 378.808 4.170 0 1 GIAF O=C(CCCC(=O)c1ccccc1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 28392453 WDIBIXVMVOZXEV-HXUWFJFHSA-N 384.907 4.084 0 1 GIAF CC(C)=CCC/C(C)=C\CC/C(C)=C/CC(P(=O)(O)O)P(=O)(O)O 29123588 QBAOBDKNTDWTHR-GNESMGCMSA-N 380.358 4.477 0 1 GIAF NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccccn1 36349012 AARWOJHWGOYIRM-UHFFFAOYSA-N 376.894 4.326 0 1 GIAF CN(C)CCCOc1ccc(-c2nnc3ccc(-c4cccc(O)c4)cn23)cc1 82081910 GFKKZMRDBZEBLL-UHFFFAOYSA-N 388.471 4.099 0 1 GIAF CN1[C@H]2CC[C@@H]1C[C@@H](CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100897305 MHCSKANEQAAFNH-QPMHWLDDSA-N 384.470 4.433 0 1 GIAF COc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 101152098 CNDOHBNSSCZYEQ-VTYHHJSWSA-N 380.488 4.464 0 1 GIAF O=C(Nc1ccc(F)cc1)NS(=O)(=O)[C@@H]1CCCCCCCCCCC1=O 103176244 WGWXWQXMDZTJCD-GOSISDBHSA-N 398.500 4.129 0 1 GIAF CN(C)Cc1cccc([C@H]2Nc3cccc4c(=O)[nH]nc(c34)[C@@H]2c2ccccc2)c1 117889033 SNFZYJVSHCYGBE-FYYLOGMGSA-N 396.494 4.283 0 1 GIAF Cc1ccc(F)cc1S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccnc2)cc1 142166034 QPFOWXXKHRXALH-VZUCSPMQSA-N 396.443 4.014 0 1 GIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@@H](OC(C)=O)CC[C@H](C)[C@@]12C 238776671 DFIGTEZNNCEPNY-LOJWWPGCSA-N 388.460 4.319 0 1 GIAF CCCOc1cc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2cc1Br 587022662 UNISNVSVZPPZOU-MRVPVSSYSA-N 382.283 4.291 0 1 GIAF CC(C)OC(=O)C1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CC(F)(F)C1 587130746 POORJXITRVAAAQ-UHFFFAOYSA-N 380.288 4.339 0 1 GIAF O=S(=O)(c1ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2c1)C(F)(F)F 587174766 LGZMPQNHPWKBTH-UHFFFAOYSA-N 397.353 4.068 0 1 GIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(C(F)(F)F)ncc2[nH]1)C(C)(C)C 587205019 NBXZSZZLPJDEKU-GFCCVEGCSA-N 386.418 4.459 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cc(Br)cc(F)c2[nH]1)c1ccc(C)cc1 587205852 GMTHXBJRLRVZJB-HNNXBMFYSA-N 390.256 4.193 0 1 GIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1 587242562 WBODNZRWCRRXBE-UHFFFAOYSA-N 397.431 4.444 0 1 GIAF NC(=O)c1cccc(C[C@H](N)c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587260706 ZNURMFRNKYJYRT-SFHVURJKSA-N 388.496 4.056 0 1 GIAF Cc1ncc2c(n1)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344592 HEXIVVSSAPSCGA-FYYLOGMGSA-N 390.414 4.220 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)nn1[C@@H]1CCCCO1)O2 587383640 UJNMGZMYYOKUFN-RDJZCZTQSA-N 395.381 4.198 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCc4c(Br)ccc(F)c41)[C@@H](C2)C3=O 587426515 CXJQMJGFRBPMIZ-HXPMCKFVSA-N 389.220 4.186 0 1 GIAF C[C@]1([C@H]2CN(Cc3ccccc3)CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587515590 VMWHUBCNGJGMGZ-ILBGXUMGSA-N 391.511 4.190 0 1 GIAF COC(=O)[C@@H]1CCc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527513 WBVDMRVCZXBGAJ-GBXCKJPGSA-N 376.452 4.162 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc2ccc(F)cc2[nH]1 587569883 NGSGETDMSDREOM-XLIONFOSSA-N 376.343 4.111 0 1 GIAF CN(C)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587573222 SEDGREXPDDRAOH-OFNKIYASSA-N 375.424 4.335 0 1 GIAF Cn1nc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587582070 NQDDFHUWMYOOBQ-AUSIDOKSSA-N 386.407 4.156 0 1 GIAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccn2c1C=O 587587421 MTOZTSYTACOCJK-QPPBQGQZSA-N 399.402 4.469 0 1 GIAF COc1ccc2c(c1)[C@]1(CCN2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596309 QSCSDQVVAPXYMX-OFNKIYASSA-N 389.407 4.074 0 1 GIAF O=C(CCc1ccc(O)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658607 PYKBXTRBAKUMJZ-UHFFFAOYSA-N 388.398 4.181 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc(F)ccc32)N1 587731129 KNCLBWCXWUNBOK-XTZNXHDOSA-N 380.232 4.288 0 1 GIAF COCCn1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587753567 VQVQHGQBEWTVMC-WLRWDXFRSA-N 395.316 4.277 0 1 GIAF O=c1c(Cl)c(-n2nc3cc2Oc2ccc(F)cc2-3)cnn1Cc1ccccc1 587873744 IOWKUZGWTXMQSA-UHFFFAOYSA-N 394.793 4.043 0 1 GIAF CCc1ccc2nc(N3CCC(NCC4CC4)CC3)c(-c3nc(C)no3)cc2c1 1857591752 GDYCGZVVAHAHGY-UHFFFAOYSA-N 391.519 4.124 0 1 GIAF CC(C)c1cc(N2CCCCC2)nnc1C(=O)NC1C2CC3CC(C2)CC1C3 1857752650 NBFCZTZPBAPMQR-UHFFFAOYSA-N 382.552 4.145 0 1 GIAF CCCC=C1C(OC)=CC(=O)O[C@]12Cc1oc(=O)cc(OC)c1[C@@H](CCC)C2 2356347476 STQISBYNTWSPOY-RCDICMHDSA-N 388.460 4.031 0 1 GIAF CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)Oc3c(c(O)cc4c3COC4=O)C[C@@H]12 2356463385 YHFZNBXTQFHWGR-AFXFGAOOSA-N 384.472 4.178 0 1 GIAF CC1=C[C@H](CNC(=O)c2cccnc2)[C@@H](C(C)C)C[C@H]1CC(=O)NC1CCCC1 2356745919 DWQWUJJSBZGDQV-TUNNFDKTSA-N 397.563 4.115 0 1 GIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@@H]2CC(=O)[C@H](C)[C@H]2C[C@H]1C(C)(C)OC(C)=O 2356777435 VUGXECYJWAHENH-OFGOXUBESA-N 378.509 4.094 0 1 GIAF Cc1ncoc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 14967872 QSQODYSBELEHGX-SFHVURJKSA-N 378.476 4.274 0 3 GIAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1Cc1csc2ccccc12 61896423 XAIBMKGOSBMIJK-QFIPXVFZSA-N 394.496 4.276 0 3 GIAF O=C(c1ccccc1)c1cc(-c2ccccc2)c(-c2ccccc2)[nH]c(=O)c1=O 1661046 VUYBPQSUXPTOPI-UHFFFAOYSA-N 379.415 4.300 0 1 GIAF CCOc1cccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCCOC)c1 2478310 GQBDASQJAOZKAM-UHFFFAOYSA-N 398.434 4.313 0 1 GIAF CC(C)=CCC[C@]1(C)Oc2c(c(O)cc(O)c2C(=O)c2ccccc2)C[C@H]1O 13403639 FVSFDNITEZDVAF-XXBNENTESA-N 382.456 4.130 0 1 GIAF biogenic COc1cc2c(cc1OCC=C(C)C)C(=O)C[C@H](c1ccc3c(c1)OCO3)O2 14728367 XNGHNFHZIWCLLJ-GOSISDBHSA-N 382.412 4.475 0 1 GIAF biogenic O=C1CCCCC[C@H]1S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 40834210 HGGPZWDJKUWJDH-CYBMUJFWSA-N 388.329 4.400 0 1 GIAF C[C@H]1CCCCN1CCCNCc1coc(-c2ccccc2Br)n1 72180801 AXPBODSXYXUPSU-HNNXBMFYSA-N 392.341 4.458 0 1 GIAF CCc1ccccc1Nc1ncc2cc(Oc3ccnc(C(=O)NC)c3)ccc2n1 82152042 XCWVTLFOJIXVQK-UHFFFAOYSA-N 399.454 4.483 0 1 GIAF CCc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC(C)C)n2)cc1 82191832 QZKVQQXKGZQAEZ-INIZCTEOSA-N 377.579 4.431 0 1 GIAF COc1cccc(N(C)S(=O)(=O)c2ccc(-c3ccccc3OC)cc2)c1 96935507 RSBNDQRTKQAMHN-UHFFFAOYSA-N 383.469 4.196 0 1 GIAF O=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ccncc4)c3)cccc12 100078129 KSNSBARHJBNSPW-UHFFFAOYSA-N 384.435 4.359 0 1 GIAF O=S(=O)(N[C@H]1[C@H]2CC[C@H]1Cc1cc(F)ccc1C2)c1ccc(Cl)s1 101027755 WXZPJLSSIKLDLT-PRXAMGSTSA-N 385.913 4.013 0 1 GIAF COc1ccc([C@@H]2C(c3ccccc3)=NO[C@@]23C(=O)N(C)c2ccccc23)cc1 103236538 AVQTZTSILDNFSB-ZJSXRUAMSA-N 384.435 4.085 0 1 GIAF OC[C@H]1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139015118 FWEDJUOFXVKFDV-KRWDZBQOSA-N 376.460 4.221 0 1 GIAF CSc1nc2ccc(S(=O)(=O)Nc3cccc4cccnc34)cc2s1 139759500 VJNLCZZAPNUMEC-UHFFFAOYSA-N 387.511 4.367 0 1 GIAF O=C(Nc1ccc(F)cc1)c1ccc(SC[C@H]2COc3ccccc3O2)nc1 144985639 LVCSIAVXIQAJKU-QGZVFWFLSA-N 396.443 4.405 0 1 GIAF COc1cc(/C=C\c2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1Br 586978002 VZFPQHKZIXXARJ-HYXAFXHYSA-N 385.221 4.086 0 1 GIAF CCOC(=O)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587004971 GZNVLAOJMNVAMN-UHFFFAOYSA-N 380.629 4.218 0 1 GIAF CC(C)(Cl)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587008981 UASGTHWLUYPALI-UHFFFAOYSA-N 384.288 4.491 0 1 GIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(Br)c(F)cc2[nH]1 587052194 KIPGLZYWRKNGJV-LLVKDONJSA-N 384.636 4.066 0 1 GIAF O=C(NCc1nc2c(Cl)c(Cl)cnc2[nH]1)c1cccc(C(F)(F)F)c1 587111044 IEQFCYGCHWMSAG-UHFFFAOYSA-N 389.164 4.214 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H](C(=O)O)CC2)[C@@H]1c1ccc(F)cc1 587355494 VDJVTHKKNOFMMT-WTGRHJARSA-N 384.403 4.294 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2([C@@H]1c1ccc(F)cc1)[C@@H]1[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]2[C@@H]5C[C@H]41 587356219 ZOSPFAFFNVNUPX-JVAVFFRLSA-N 388.438 4.407 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(O)cc32)[C@H]1c1ccc(F)cc1 587356824 RPVUXWNNIWULHW-GMAHTHKFSA-N 376.383 4.438 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1N(C)C)O2 587378033 RIZUCEQKGBRPNC-KRWDZBQOSA-N 375.266 4.112 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(/C=C\C(=O)O)=COc2ccc(Cl)cc21 587380603 WOGJWTIXZKLIFU-RYRPJRTCSA-N 397.814 4.008 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(F)cc(Br)c(F)c1F)[C@@H](C2)C3=O 587421852 AWFTYEXSSBZNQC-QPFGOUBPSA-N 399.162 4.364 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)c(OC)cc1OC)CC2=O 587478927 LAPXGBCGZIFHNH-JOCHJYFZSA-N 386.444 4.251 0 1 GIAF C[C@@]1(c2ccc(-n3ccnc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577065 LUVAFIHEXVIXMN-URXFXBBRSA-N 398.418 4.455 0 1 GIAF CCN1CCc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587591989 GXDKYZOYTZRAPA-URXFXBBRSA-N 387.435 4.478 0 1 GIAF CCOC(=O)[C@H](CC)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592611 BDGVGPGSGHWOED-BTCOZLQPSA-N 398.455 4.338 0 1 GIAF Cc1cc(C(=O)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587718092 MLCXRVRGKVFIFH-BMLIUANNSA-N 380.232 4.494 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3cccn3)cc2)N1 587761214 UEOTVSJGVZTOII-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF CCCOc1ncccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587775382 ZRIJTQIXLJINMF-DIFFPNOSSA-N 379.273 4.396 0 1 GIAF CCOC(=O)C[C@]1(C2(C)CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587800258 WJDDQGPRSZQMFH-ZMZPIMSZSA-N 384.289 4.071 0 1 GIAF CCOc1cc(O)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587804397 ZEUGUHOHRLDOTA-MLCYQJTMSA-N 380.257 4.316 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccccc1N 587865089 USMSHWJJYLKFIK-UHFFFAOYSA-N 375.350 4.238 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccccc1[C@H](C)c1cnc[nH]1 963071151 WUAMKFQKMDWKTF-OWJWWREXSA-N 384.483 4.353 0 1 GIAF COc1ccc(-c2n[nH]cc2[C@H]2c3c(F)cccc3C[C@H]3CCCN23)cc1OC 963114125 RSXSARULHBVXMN-MWTRTKDXSA-N 393.462 4.343 0 1 GIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1C[C@@H](OC(C)=O)[C@@]13CC(=O)[C@@H](CC[C@@H]12)C3 2356784073 NCSYZCFTTYSTDM-HWUAJZJOSA-N 390.520 4.073 0 1 GIAF O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205220110 VWBQQIFPBSGJLB-ZUZCIYMTSA-N 397.208 4.147 0 3 GIAF O=C(N[C@@H]1CCCC[C@@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774585 BDTWWPAKBITJJF-CVEARBPZSA-N 386.835 4.288 0 1 GIAF CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 4126213 DWBULRIHHPDXHE-UZQPLGKSSA-N 389.499 4.004 0 1 GIAF O=C(NCCCc1ccccc1)c1ccccc1CNCCc1ccc(O)cc1 13589113 CRGWYFCBJXFDDG-UHFFFAOYSA-N 388.511 4.087 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc([C@@H](C)N3CCCCC3)cc1)C2 28344365 UUCAJFDACITQCR-WAIKUNEKSA-N 395.499 4.437 0 1 GIAF CC(C)(C)Oc1cccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c1 28562840 SYGIHTKOJPHDPA-UHFFFAOYSA-N 379.456 4.474 0 1 GIAF Nc1cc2c(ccc(=O)n2-c2c(F)cccc2F)c(-c2ccc(F)cc2F)n1 36988459 RVTPPRYTUBCENU-UHFFFAOYSA-N 385.320 4.191 0 1 GIAF C[C@H]1CN(C(=O)c2cn3c4c(cccc24)OC[C@H]3C2CCCCC2)C[C@@H](C)N1C 38308443 DUUIKOXVOUKEBZ-FVJLSDCUSA-N 395.547 4.320 0 1 GIAF O=c1cc(NCCCNCc2cc(F)cc(C(F)(F)F)c2)[nH]c2ccccc12 45196095 OOWYSXNAIJYKEY-UHFFFAOYSA-N 393.384 4.278 0 1 GIAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)C1 82151609 AYHNMGWZKOSQNB-IYBDPMFKSA-N 382.483 4.001 0 1 GIAF CC(C)=CCC[C@@H](C)C1=C(O)[C@@H](O)C(C)=C2N=C(c3ccccc3)C(=O)O[C@@H]21 102956445 HQOVFKOOADNLBT-VQUVXCFPSA-N 381.472 4.244 0 1 GIAF Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)C[C@@H]3CC[C@@H]5N3)c(=O)c2)cn1 113221811 LJHHXJOXVGZINW-RXVVDRJESA-N 396.494 4.049 0 1 GIAF Cn1nccc1-c1ccc(OCc2ccccc2)c(C(=O)Nc2cccnc2)c1 116761018 UOFIVTAPQWGDCO-UHFFFAOYSA-N 384.439 4.313 0 1 GIAF NC(=O)c1ccc(Oc2ccc(CCNCc3cccc(F)c3)cc2Cl)nc1 165681225 YTRLGRAEXBOQOI-UHFFFAOYSA-N 399.853 4.098 0 1 GIAF COc1ccc([C@H]2CC3(N(C)C)C[C@H](O)C2[C@@H](c2ccc(OC)cc2)C3)cc1 169366846 ZKWMIFWZIBHEBK-JBRXAOCBSA-N 381.516 4.046 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCC)[C@H]1c1ccccc1C(F)(F)F 169692145 PWPMTRPKIXBNDI-DOTOQJQBSA-N 397.393 4.280 0 1 GIAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1cccc(Cl)c1 169723953 YBIKDBYTIIQUOE-NVXWUHKLSA-N 377.868 4.303 0 1 GIAF O=C1CCc2cc(C(=O)NC[C@H]3CC[C@@H](COc4ccccc4)CC3)ccc2N1 261120527 JKYITKVNEQLOBU-HDICACEKSA-N 392.499 4.187 0 1 GIAF COc1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 586957712 ATHZWLDNGFVENC-QHCPKHFHSA-N 393.306 4.074 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(O)c4[nH]3)c(F)c2)c1 587147360 NSEKPJKQTSYDNP-UHFFFAOYSA-N 378.359 4.448 0 1 GIAF COC(=O)c1cc2[nH]c(-c3cc(-c4ccc(F)cc4)n(C)c3C)nc2cc1OC 587166297 QIKYVRIIILJWRA-UHFFFAOYSA-N 393.418 4.478 0 1 GIAF CCOC(=O)CNc1ccc(-c2nc3c(C)cc(Br)cc3[nH]2)cc1 587227342 KTRGYLSVJSZIMI-UHFFFAOYSA-N 388.265 4.276 0 1 GIAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cccc(O)c2[nH]1 587231105 MNHMZLOPJYCRAJ-UHFFFAOYSA-N 388.427 4.158 0 1 GIAF COCCOCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520439 BPSBQVOZAYTRPJ-HSZRJFAPSA-N 396.483 4.314 0 1 GIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC(C)=O 587522707 HEGVKRXRPGDTRA-LJQANCHMSA-N 396.439 4.214 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCNc1c(F)cccc12 587566675 ACVPRRHMAQKQSI-AVRDEDQJSA-N 377.371 4.204 0 1 GIAF CC(C)C(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587704306 IIOVGINPKJUAAL-RFAUZJTJSA-N 396.222 4.495 0 1 GIAF COCCn1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587752882 UEXUOZKMGCYXRD-JEOXALJRSA-N 395.316 4.277 0 1 GIAF CCn1ncc([C@]2(CC)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587763600 KJXYFDSAIBREFH-ADLMAVQZSA-N 380.305 4.301 0 1 GIAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587810527 XUKVJTAEHFUZHA-MLCYQJTMSA-N 380.257 4.229 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccccc2O)N1 587830225 CCNPHISUHWGPML-WLRWDXFRSA-N 392.268 4.316 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587836525 WDUDTRFAIAZVPT-NSPYISDASA-N 392.268 4.157 0 1 GIAF O=C(O)[C@]1(C2CCCCC2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949946 DAKXPNZARBQPFA-HXUWFJFHSA-N 397.437 4.217 0 1 GIAF Cc1ccc(CN2CCN(CCc3cc(-c4cccs4)nc(C)n3)CC2)cc1 1857542180 RZMYCWKLQVKJSB-UHFFFAOYSA-N 392.572 4.182 0 1 GIAF O=c1cc(-c2ccccc2)oc2cc(OC[C@H]3CS3)cc(OC[C@@H]3CS3)c12 1857632986 ADBHQMYOHIXRRC-JKSUJKDBSA-N 398.505 4.448 0 1 GIAF CC1=C[C@H](CN2CCC(O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 2356301168 WOJQKANMTTXFGZ-NSHGMRRFSA-N 389.584 4.221 0 1 GIAF COc1ccc(-n2cc(CNC3CCC(O)CC3)c(-c3cccc(F)c3)n2)cc1 12754376 PKMNJNBSKMAENZ-UHFFFAOYSA-N 395.478 4.080 0 3 GIAF CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N(C)C 773241 JMQCLWZMGUNKQV-HKUYNNGSSA-N 390.842 4.058 0 1 GIAF COc1ccc2c(c1)C[C@@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O 13589202 FCXJOLOVMMCCLB-MRXNPFEDSA-N 395.474 4.174 0 1 GIAF CCCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1Cc1c[nH]cn1 13800804 KPFZRSHCCBNZOG-FQEVSTJZSA-N 376.504 4.080 0 1 GIAF CCCCNCC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccc(Cl)cc1 28220190 NDPVRYFIAPAUCT-IBGZPJMESA-N 385.939 4.246 0 1 GIAF CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)no1 49034027 LXLJRIIQMFELSC-UHFFFAOYSA-N 379.420 4.263 0 1 GIAF O=C(C1CCC(F)(F)CC1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 95573501 GBGNPCMUCLQITD-UHFFFAOYSA-N 381.810 4.141 0 1 GIAF Cc1c(CO)cccc1NS(=O)(=O)c1ccc(-c2ccc(F)cc2F)cc1 95581648 XLELBGJNRPBOIX-UHFFFAOYSA-N 389.423 4.233 0 1 GIAF CNc1nc(NCCCN(C)C)c2sc(-c3cccc4cnccc34)cc2n1 103263114 PZAFRKAYXMFPAK-UHFFFAOYSA-N 392.532 4.312 0 1 GIAF Cc1ccc(Cl)cc1NC[C@H]1[C@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 142582191 IWONXIHXLHWZFU-WMZOPIPTSA-N 378.925 4.148 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3CC[C@@]2(O)C(C)=O)C1 255269769 TVQDBRRFOFGWDS-NWWWSWJSSA-N 376.537 4.281 0 1 GIAF O=S(=O)(Cc1ccccc1-c1nc2ccc(F)c(F)c2[nH]1)c1ccccc1 586922683 YMGJOILETVDPTQ-UHFFFAOYSA-N 384.407 4.482 0 1 GIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 586948024 JVDJJRLDYWBPET-UHFFFAOYSA-N 385.276 4.082 0 1 GIAF O=C(Nc1nc(Cc2nc3ccc4ncccc4c3[nH]2)cs1)c1cccs1 587019492 PHNARZJPYKPUFM-UHFFFAOYSA-N 391.481 4.472 0 1 GIAF Cc1cnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2c1 587026946 NSQRFQQDNHTYTP-SZMVWBNQSA-N 380.517 4.403 0 1 GIAF Cc1nc2[nH]c([C@@H]3CSCN3C(=O)OC(C)(C)C)nc2cc1Br 587041037 UIZBRQFHICXCPT-NSHDSACASA-N 399.314 4.011 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1 587041986 RCPSFGKUJXAPAI-GOSISDBHSA-N 387.530 4.031 0 1 GIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 587051635 QMBYQRJEDLHTJO-UHFFFAOYSA-N 375.787 4.315 0 1 GIAF N=c1[nH]c2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc-2c(Cl)[nH]1 587067714 LXXPUPYXNYTDAY-UHFFFAOYSA-N 391.649 4.406 0 1 GIAF Fc1cc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2cc1Br 587074901 ADECVMPUVJWXJA-UHFFFAOYSA-N 392.619 4.366 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)ncc2[nH]1 587080632 RRTTYQXRZJQJCB-NSHDSACASA-N 379.773 4.354 0 1 GIAF Cc1cnc(Cl)c2[nH]c(C[C@H](N)c3ccc(Br)cc3F)nc12 587142742 MTUVCQVDODRVJA-NSHDSACASA-N 383.652 4.064 0 1 GIAF COC(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587457146 ZTSOZJXIJAORGF-OPAMFIHVSA-N 390.391 4.231 0 1 GIAF C[C@]1(c2ncc(Cl)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567382 HJDXOICTSPADAU-UZLBHIALSA-N 385.778 4.457 0 1 GIAF CCOC(=O)C[C@]1(CCC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593458 DMFBQYKVDRFLBY-REWPJTCUSA-N 398.455 4.482 0 1 GIAF COC(=O)c1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587622441 NCUNLSAWAOPJDE-UHFFFAOYSA-N 388.196 4.399 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3cc(F)ccc32)N1 587734032 QASSVAZAUIPOPX-YPMLDQLKSA-N 380.232 4.288 0 1 GIAF C[C@H](O)Cc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587835104 UXVJBNURKMFENP-SYTFOFBDSA-N 378.285 4.135 0 1 GIAF CCOC(=O)c1ccsc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587846960 VMWYXKJEGVPPQT-VFZGTOFNSA-N 398.297 4.450 0 1 GIAF COc1ccc(-c2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)no2)cc1 587874720 JBDQQILDULPLKM-UHFFFAOYSA-N 377.331 4.147 0 1 GIAF COc1cccc(-c2cc(O)n(-c3cnc(Cc4ccc(F)cc4)nc3)c2O)c1 587946597 LRFJIHNDVGZPRO-UHFFFAOYSA-N 391.402 4.084 0 1 GIAF c1ccc(Cn2cc(-c3cn4c(-c5ccc6c(c5)OCO6)cnc4cn3)cn2)cc1 653760042 HIVLTBSUHDGFAF-UHFFFAOYSA-N 395.422 4.037 0 1 GIAF C[C@]1(CSc2ccccc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962675827 WZIZSKQFTDMPDV-XZOQPEGZSA-N 392.524 4.341 0 1 GIAF Nc1cccc2c1CC[C@]21NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962958633 OOYIQULMISPYCT-NRFANRHFSA-N 388.433 4.129 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2C1(CCC(N)=S)CCCCC1 963608654 LMMSKVSSMDMTTE-XOBRGWDASA-N 376.566 4.296 0 1 GIAF COc1ccc(C2=NN(Cc3ccc(F)cc3)C(=O)CC(C)(C)C2)cc1OC 1772609717 CUYUSNGAJJQWQS-UHFFFAOYSA-N 384.451 4.396 0 1 GIAF CCN(CC)CC(=O)Nc1ccc(Nc2nc(Cl)nc3ccccc23)cc1 1772609821 LZNJESVCPMUVDG-UHFFFAOYSA-N 383.883 4.307 0 1 GIAF C[C@@H]1CCCN1c1cccc(Nc2cc(-c3ccc(O)cc3)nn3ccnc23)n1 1772638956 NSOUPHRLHHDPLV-OAHLLOKOSA-N 386.459 4.229 0 1 GIAF CCCC[C@H](C)C(=O)CC[C@H]1[C@@H]2CC(=O)O[C@@H]2C[C@H]1OC(=O)c1ccccc1 2356348069 XVOWNKMWUOVSAO-WCUWYRCVSA-N 386.488 4.339 0 1 GIAF O=C(O)CSc1nnc(-c2ccccc2C(F)(F)F)n1-c1ccccc1 2523780 COABGSRUPVNGKA-UHFFFAOYSA-N 379.363 4.130 0 1 GIAF CN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1 6952938 NOQQLTAWIPLGAG-UHFFFAOYSA-N 377.469 4.051 0 1 GIAF COc1cc2c(c3c1OC(C)(C)C=C3)O[C@H](c1ccc3c(c1)OCO3)CC2=O 14618770 DEXCLCXZBFTTDI-KRWDZBQOSA-N 380.396 4.315 0 1 GIAF biogenic Cc1nc2c3c(c(C(=O)NC4CCC4)cn2c1C)CC[C@@H](c1ccccc1)O3 28867208 FYEVGINFXPAHTL-FQEVSTJZSA-N 375.472 4.300 0 1 GIAF O=C(N[C@H]1CCCN2c3cc(F)ccc3Oc3ccccc3[C@H]12)C(F)(F)F 29037485 GADDNNXRGBRCKM-SUMWQHHRSA-N 380.341 4.320 0 1 GIAF CN(C)[C@@H]1Cc2ccccc2C[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1 29548276 NYTWGNMAJGEHGJ-RTBURBONSA-N 377.315 4.163 0 1 GIAF COc1cc2c(cc1C(C)C)CC[C@H]1C3=C(CC[C@]21C)C(=O)OC(C)(C)[C@H]3O 34654151 LVERCARRTBWEFF-JBUDQFAYSA-N 384.516 4.425 0 1 GIAF NC(=O)c1sc2nc3c(c(-c4ccc(C(=O)O)cc4)c2c1N)CCCCCC3 49067143 GBWKMOBOMPRFBT-UHFFFAOYSA-N 395.484 4.002 0 1 GIAF C/N=c1\[nH]c2cnc(Nc3cccc(C(F)(F)F)c3)cc2n1Cc1ccco1 82081845 OWEALHRTWXVMBB-UHFFFAOYSA-N 387.365 4.299 0 1 GIAF O=C1NC2=Nc3ccccc3N(Cc3nc4ccccc4[nH]3)C2=Nc2ccccc21 95559997 HIYZSHODGJUCGU-UHFFFAOYSA-N 392.422 4.087 0 1 GIAF Cc1[nH]c2cc(C(=O)NCCCCCC(=O)Nc3ccccc3N)ccc2c1C 117588533 SIZFPXGAVIWGNU-UHFFFAOYSA-N 392.503 4.296 0 1 GIAF C[C@@H]1OCc2sc(NC(=O)C3C(C)(C)C3(C)C)c(C(=O)N3CC(F)(F)C3)c21 118200348 SSDKNZOPYGQOJX-VIFPVBQESA-N 398.475 4.051 0 1 GIAF CCCC[C@@](C)(O)CCC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 143630998 BDCSFODRIDLUQN-RMEPHLEKSA-N 384.557 4.178 0 1 GIAF COc1cc(C2=C(c3ccc(OC)c(OC)c3)C[C@@H]3CCCN3C2)ccc1O 144074067 TWXHDBRYAIWMMQ-KRWDZBQOSA-N 381.472 4.197 0 1 GIAF Cc1ccccc1C(=O)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 145936901 OBZPQPZHWIEXBQ-IBGZPJMESA-N 382.410 4.472 0 1 GIAF O=C(CCNC(=O)c1ccc(Cl)c(Cl)c1)N[C@@H]1CCCc2ccccc21 169304489 VUPODUAAOCEPJS-GOSISDBHSA-N 391.298 4.307 0 1 GIAF COc1cccc(Cc2noc(-c3cc(Cl)ccc3OC3CCNCC3)n2)c1 225196341 GFEXEPHGFJJRDA-UHFFFAOYSA-N 399.878 4.120 0 1 GIAF CC1=CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]1C(=O)OC[C@H](O)CO 238762689 MWAJABGHRMTDDP-FYKJGAIZSA-N 378.553 4.098 0 1 GIAF Cn1cc(-c2ncc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)s2)cn1 587020914 CSUSTDQKYZHKLQ-UHFFFAOYSA-N 396.220 4.128 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(O)cc3[nH]1)N2 587032455 SXBBNXVOASOQGO-IXIHQHOXSA-N 386.502 4.395 0 1 GIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Cl)nc(Cl)c2[nH]1 587064809 GYNHKYMKWKFYNX-UHFFFAOYSA-N 386.622 4.318 0 1 GIAF O=C1CCc2cc3nc([C@H]4CCCN4Cc4ccc(Cl)cc4)[nH]c3cc2N1 587075839 KNVLKKJAOBBORR-LJQANCHMSA-N 380.879 4.438 0 1 GIAF Fc1c(Cl)cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1F 587084717 HPQCLXVUYFONIQ-UHFFFAOYSA-N 384.217 4.322 0 1 GIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2nc(Br)c[nH]c-2n1 587114879 YCWVTJBCKFFWGE-QMMMGPOBSA-N 385.187 4.432 0 1 GIAF COc1cncc(N)c1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 587252788 MSSYMHMPEKTQON-UHFFFAOYSA-N 376.260 4.253 0 1 GIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587336859 KQTJILCSUHBFGX-IRLDBZIGSA-N 379.387 4.209 0 1 GIAF C[C@H](Oc1cccc(F)c1-c1ccc2c(O)nc(O)nc2n1)c1ccccc1 587368988 ZBTQZRVQVWDFOZ-LBPRGKRZSA-N 377.375 4.382 0 1 GIAF CCCCCS(=O)(=O)c1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587407553 ARKAMFSOIRUICK-FQEVSTJZSA-N 387.501 4.248 0 1 GIAF COc1cc2c3c(c1)O[C@](c1cccnc1)(c1ccccc1Cl)[C@@H](C2)C3=O 587420743 RHEHRFQRSCNLKH-HTAPYJJXSA-N 377.827 4.435 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1F)(c1nccn1C)CC2=O 587466182 KGFAZLUBGSDESI-QFIPXVFZSA-N 380.419 4.126 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1C 587475399 NXYZSIVRPRQHAY-PEBXRYMYSA-N 389.492 4.326 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ncco1 587590355 ZLBQIZXPHXDEHG-AUSIDOKSSA-N 385.375 4.286 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc(Cl)cc2)N1 587705933 ZZWNOXRFARDDBL-XYZCENFISA-N 398.659 4.104 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)nc2)N1 587764303 DGDOJDSNBOIJFZ-BUXKBTBVSA-N 390.300 4.207 0 1 GIAF O=C(Cc1nc2cc(Br)cc(Cl)c2[nH]1)OCc1ccccc1 587781967 OBFIIGVFDSIFNO-UHFFFAOYSA-N 379.641 4.265 0 1 GIAF COc1cccc(OC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587802206 PZWADSMUUIHZLD-BBATYDOGSA-N 380.257 4.251 0 1 GIAF Cc1ccccc1-c1ccc(Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587958987 JLVRXLCOJMYHNR-UHFFFAOYSA-N 378.453 4.376 0 1 GIAF COc1ccc([C@H](C)[C@@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653767414 LTAUJUJUDBORKL-ORAYPTAESA-N 385.460 4.129 0 1 GIAF COc1cc2c(cc1OC)[C@]1(C[C@@H]2N)NCCc2cccc(-c3ccccc3)c21 962666526 MWRNOAKNNFMEMY-OFVILXPXSA-N 386.495 4.164 0 1 GIAF Fc1cccc(-c2nc3sccn3c2[C@H]2NCCc3nc4ccccn4c32)c1 962989645 AHHYXEBQWSERNA-SFHVURJKSA-N 389.459 4.085 0 1 GIAF COC(=O)C[C@H](C)CC[C@@H]1C(COC(C)=O)=CC[C@@H]2C(C)(C)[C@H](O)CC[C@]12C 2356606956 KJGJWCMSMYHAKT-PVIGCVSNSA-N 394.552 4.279 0 1 GIAF CC(C)CN1Cc2ccccc2Oc2cc(Br)ccc2S1(=O)=O 61944697 AGIMVAVIQFNDSU-UHFFFAOYSA-N 396.306 4.402 0 3 GIAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NCCOc1ccccc1 4216097 YZXCGOVUBVTJMN-SFTDATJTSA-N 384.476 4.489 0 1 GIAF CCOC(=O)CC[C@@]1(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CCCCC1=O 6040310 HBKXRCXWZIRPJP-FOUBCARRSA-N 380.525 4.463 0 1 GIAF CC1CCN(CC[C@@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1 13804475 VCFMMDVFGUQTHR-FQEVSTJZSA-N 386.561 4.115 0 1 GIAF N[C@H]1CN(c2nccc(-c3ccsc3)n2)C[C@@H]1c1ccc(Cl)cc1Cl 14958710 ISIAZPQCRKPGLU-ZBFHGGJFSA-N 391.327 4.443 0 1 GIAF O=C(O)/C(=C/c1ncc(-c2ccccc2Cl)s1)NC(=O)c1ccccc1 28520643 BMNYOOZWYGWTEB-GDNBJRDFSA-N 384.844 4.319 0 1 GIAF O[C@H](c1nc2cc(Cl)c(Cl)cc2n1Cc1ccccn1)C(F)(F)F 28817565 XIVYMDXHYVUSBL-CYBMUJFWSA-N 376.165 4.382 0 1 GIAF CCOCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40499089 ULAOQWBWDVCIMV-PVAVHDDUSA-N 376.518 4.465 0 1 GIAF CCc1c(CN2CCN(C(=O)Nc3cccnc3)CC2)sc2ccc(F)cc12 43021709 MYJYBZXAGNJMBU-UHFFFAOYSA-N 398.507 4.348 0 1 GIAF CC(C)[C@H](Cn1nccc1C(F)(F)F)OC(=O)Nc1ccc(F)cc1F 45498238 VNYDKXNMOJUENE-ZDUSSCGKSA-N 377.313 4.453 0 1 GIAF COc1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1 64540052 IUUCXLQDWUCSDJ-UHFFFAOYSA-N 380.407 4.184 0 1 GIAF c1ccc(-c2nc(N3CCOCC3)c3c4c(sc3n2)CCCCCC4)nc1 96903269 BEHDFYFGWLKGJK-UHFFFAOYSA-N 380.517 4.249 0 1 GIAF CCN(CC)CCNc1nc2c(-c3ccc(OC)cc3)cnn2c2ccccc12 96933163 XQBRUQMODCQXOC-UHFFFAOYSA-N 389.503 4.312 0 1 GIAF Cc1ccc(C(=O)N2c3ccccc3[C@H](NCc3ccccc3)[C@@H](O)[C@H]2C)cc1 96941843 YVRQVVQGVPOWEI-DKLXNKCPSA-N 386.495 4.236 0 1 GIAF CC[C@H](Cc1cc(C)c(O)c(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C 103251387 QAIBFISDVFSRKN-LJQANCHMSA-N 375.534 4.234 0 1 GIAF CSc1nc2n(n1)[C@@H](c1cccc(Br)c1)C1=C(O)CCCC1=N2 103579390 LGFGVYLCRKTBNM-AWEZNQCLSA-N 391.294 4.434 0 1 GIAF Cc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2CC2CCCCC2)cc1 169365875 QFKTVSIMNBHXAU-KMDXXIMOSA-N 394.563 4.393 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cccc(C4CCC4)n3)C2)cc1 169709313 BAVRWHQEDTUVFL-KKSFZXQISA-N 379.504 4.204 0 1 GIAF CC(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@]12CCOc1ccccc12 200383011 YRLNTHMQFJTNJT-FQEVSTJZSA-N 388.439 4.493 0 1 GIAF CC(=O)O[C@@H]1[C@H]2c3oc(-c4ccccc4)cc(=O)c3-c3ccoc3[C@H]2OC1(C)C 238753166 LRKIXOZDMXDDBU-YUXAGFNASA-N 392.407 4.446 0 1 GIAF CC(C)(NC(=O)c1nn(CCC2CCOCC2)c2c1C[C@H]1C[C@@H]21)c1ccccc1 299835626 MDWRKLOCQKYAQI-IEBWSBKVSA-N 393.531 4.025 0 1 GIAF Cc1cc(N2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c2ccccc2n1 299862343 JMZKSBXQHGKKHS-UHFFFAOYSA-N 378.451 4.473 0 1 GIAF C[C@H](Sc1nnc(-c2ccncc2)s1)C(=O)Nc1ccc(Cl)cc1 473083003 MCAXKDICKCVTTN-JTQLQIEISA-N 376.894 4.373 0 1 GIAF O=[S@](Cc1nc2cc3c(cc2[nH]1)OCO3)C(c1ccccc1)c1ccccc1 586959809 MMZCHVOIRFQDOF-MUUNZHRXSA-N 390.464 4.330 0 1 GIAF Clc1cccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586969502 LMYOZFQJNICDRW-UHFFFAOYSA-N 386.820 4.287 0 1 GIAF COc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1F 586998604 LUDLQQWEPKWYEZ-IHWYPQMZSA-N 391.196 4.372 0 1 GIAF O=C1CSc2ccc(-c3nc4ccc(F)c(Br)c4[nH]3)cc2N1 587044223 SEGIPEYYFHGCFN-UHFFFAOYSA-N 378.226 4.176 0 1 GIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587108566 BOBBHDWWOJQQAN-UHFFFAOYSA-N 375.228 4.361 0 1 GIAF C[C@H](F)[C@@H](N)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587124353 NJOZNJKUVGBCPR-LKFCYVNXSA-N 380.345 4.192 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)C(F)(F)C1 587132488 QYLWIXJIBSVYIM-SSDOTTSWSA-N 393.221 4.234 0 1 GIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(F)c(F)c4[nH]3)c2)c1 587231720 FTUBFLBDRYRMKW-UHFFFAOYSA-N 377.394 4.459 0 1 GIAF O=C1c2ccc(O)cc2OC2([C@H]3CC4C[C@H]2CC(O)(C4)C3)[C@@H]1c1ccc(F)cc1 587356363 PBHVDUXDFNSTDL-RTEXQNFQSA-N 394.442 4.200 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)c(C=O)c(Cl)n4C)[C@@H](C2)C3=O 587422392 PLQAEHNXGFOHBG-VBKZILBWSA-N 381.815 4.142 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc(-c3cc(C=O)ccn3)c1)CC2=O 587478897 AFCXZPODDYWXPE-JOCHJYFZSA-N 388.423 4.321 0 1 GIAF CCn1cc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587499009 QHCYEQONMVARFV-INIZCTEOSA-N 375.266 4.251 0 1 GIAF O=C(O)c1cc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543979 CVTNCVZNTYGZFI-YLJYHZDGSA-N 396.782 4.447 0 1 GIAF Cc1ccc([C@@]2(c3ncc[nH]3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587587009 DWKOVISNIWHNNM-GBXCKJPGSA-N 398.418 4.329 0 1 GIAF Cc1nc2ccccn2c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588778 SGYXHWLNHZJYSB-AUSIDOKSSA-N 386.407 4.225 0 1 GIAF Cc1ccc2nc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[nH]c2c1 587588813 LSVNYODCIPUMRY-WMZHIEFXSA-N 386.407 4.454 0 1 GIAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(OC)cc1F 587629455 QRIPSSHEELVQSA-UHFFFAOYSA-N 379.746 4.126 0 1 GIAF CC[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587700315 ALWTWNLKXXPTQZ-CLAHSXSESA-N 382.195 4.249 0 1 GIAF CCOC(=O)C[C@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800443 XDHXEFAWEDDHSZ-XIKOKIGWSA-N 386.305 4.317 0 1 GIAF Cc1ccc([C@]2([C@@H](C)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587826269 KBRXKGRSSNOMFV-QUJCMNEKSA-N 378.285 4.055 0 1 GIAF C[C@H](CCc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)CC(=O)O 587961786 XGPLLZYUVVAMJP-SSDOTTSWSA-N 379.176 4.388 0 1 GIAF CC(C)(C)OC(=O)N1CC(F)([C@@H]2NCCc3c(Cl)cc(Cl)cc32)C1 963102702 FBPXWILTWDSANI-CQSZACIVSA-N 375.271 4.139 0 1 GIAF Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)cc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c1ccccc1)c1cccnc1 2356843468 NLWXLZQXWPONHI-QFIPXVFZSA-N 381.520 4.258 0 1 GIAF COc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)c3ccco3)n2)cc1 929113 MMRJTTVQBWWQFO-MRXNPFEDSA-N 384.457 4.238 0 3 GIAF CCOC(=O)[C@@H]1Oc2ccccc2C(c2cccc3ccccc23)=C1C(=O)OC 13814598 LLGQTWLHQIMWNT-JOCHJYFZSA-N 388.419 4.139 0 3 GIAF COC(=O)C1=C(C)CC(C)=C(C(N)=O)[C@H]1c1ccc(Cl)c(C(F)(F)F)c1 577339 DNFNUSDTYWOHEP-OAHLLOKOSA-N 387.785 4.137 0 1 GIAF CC(C)Oc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1 592930 HIEPWEWYJKUHPQ-UHFFFAOYSA-N 390.892 4.383 0 1 GIAF C[C@@H](c1ccccc1)N1CCc2nc(O)n3cc(-c4ccccc4F)nc3c2C1 13492045 JSMICUILTXDMCV-HNNXBMFYSA-N 388.446 4.360 0 1 GIAF C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O 27635142 QEEBRPGZBVVINN-SIBWXOBNSA-N 386.532 4.242 0 1 GIAF COc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)nn(CCO)c2=O)cc1 29209020 LCUMLHVQXHNMDL-UHFFFAOYSA-N 398.462 4.245 0 1 GIAF O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)ccc1Cl 42990127 VANBZHNBQWYEMT-UHFFFAOYSA-N 390.314 4.247 0 1 GIAF O=C1Cc2cnc(Nc3ccc(Br)cc3)nc2-c2ccccc2N1 45364464 DALMTQZETHVZCO-UHFFFAOYSA-N 381.233 4.144 0 1 GIAF COc1ccc(C(=O)N(Cc2cn(-c3ccccc3)nn2)C2CCCCC2)cc1 72127531 STKFRXDSXMUHFW-UHFFFAOYSA-N 390.487 4.251 0 1 GIAF O=C(NCc1ccccc1)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82140638 JIJVTHUOLTUXEC-UHFFFAOYSA-N 376.435 4.035 0 1 GIAF Cc1nn(-c2ccccc2F)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565672 FZPRECXBHJCLKP-UHFFFAOYSA-N 389.833 4.280 0 1 GIAF Cc1cccc(NC(=O)NS(=O)(=O)[C@H]2CCCCCCCCCCC2=O)c1 103176260 ZKJXYTSWXDZCLK-IBGZPJMESA-N 394.537 4.299 0 1 GIAF O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CCCCCC[C@H]1O 103205821 POUONQOMARONLW-KGLIPLIRSA-N 385.835 4.184 0 1 GIAF CNC(=O)c1cccc(Nc2cccc(N3CC(Oc4ccc(F)cc4)C3)c2)c1 118585339 OLVHJHRUPZPSIS-UHFFFAOYSA-N 391.446 4.197 0 1 GIAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)cc1 169723992 OQNMQRQHEXQGMT-RDJZCZTQSA-N 377.868 4.303 0 1 GIAF COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)c2[nH]c4ccccc4c2[C@H]2CCC[C@H]23)c1 195514328 OHMBYDILZVAUPW-LXDRIQHSSA-N 386.451 4.347 0 1 GIAF CC(=O)Oc1ccccc1C(=O)Oc1cc(O)cc(/C=C/c2ccc(O)cc2)c1 222680882 JBBKJMNMIQYMGB-VOTSOKGWSA-N 390.391 4.413 0 1 GIAF CC1=CCC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](CN[C@H]3CCCc4ccccc43)[C@@H]2CC1 299806740 OTSLSFDVFOREOH-SQHJXKMMSA-N 395.543 4.489 0 1 GIAF CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)c(OC)c1 299858289 DOBDTYSXAJGHJQ-FIKGOQFSSA-N 385.504 4.073 0 1 GIAF Brc1ccnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 587016306 UYBLLEDFAJUNDR-UHFFFAOYSA-N 399.273 4.446 0 1 GIAF Fc1ccc(Oc2ccc(-c3nc4cncnc4[nH]3)cn2)c(Br)c1 587161486 SFSCCLJVZRJGFB-UHFFFAOYSA-N 386.184 4.109 0 1 GIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(OC)c(C)cc4[nH]3)c2)c1 587231622 CNZSYPUMDKDOLU-UHFFFAOYSA-N 385.467 4.497 0 1 GIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2c(F)cnc(Cl)c2[nH]1 587258473 KZHZVIRELIYYAR-HNNXBMFYSA-N 397.841 4.322 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)([C@H]1CC[C@H](C(=O)O)CC1)O2 587385445 SSQJRLIVDBSYJF-NPGVVQFXSA-N 397.446 4.468 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cnn(Cc4ccccc4Cl)c1)[C@@H](C2)C3=O 587420434 PTIZFTIMOXBVEC-KKSFZXQISA-N 380.831 4.082 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Br)ccc1F)[C@@H](C2)C3=O 587424835 VZFANAGMRKYUSO-SCLBCKFNSA-N 377.209 4.260 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(F)ccc1O)[C@@H](C2)C3=O 587428809 PWFZJXFLQHYYAF-MBSDFSHPSA-N 376.383 4.231 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cccc4c1cnn4[C@@H]1CCCCO1)[C@@H](C2)C3=O 587429962 CGDRIQMDJKWHNH-GRWTVWFQSA-N 390.439 4.233 0 1 GIAF CN1CCN(c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)CC1 587514848 PSRNUVCWNLTRQC-HSZRJFAPSA-N 376.500 4.024 0 1 GIAF CN(C)C(=S)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532945 QNHMNTVBFKRWLW-HXUWFJFHSA-N 381.497 4.497 0 1 GIAF CCn1nc(C)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547574 MLINCAIQAWCQAY-YWZLYKJASA-N 384.819 4.273 0 1 GIAF C[C@@]1(c2ccc(-n3cccn3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582764 QUSBSFHTLGAFTQ-QPPBQGQZSA-N 398.418 4.455 0 1 GIAF CCOC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C 587793052 QBLOVUYQHYFXDL-HUTHGQBESA-N 395.272 4.025 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(=O)Nc3ccccc32)N1 587796722 UVXWPRPKXSDYIX-NSPYISDASA-N 389.268 4.098 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2csc(C(=O)O)c2)N1 587847915 MSVNITROESSLSR-PWJLMRLQSA-N 384.270 4.146 0 1 GIAF CCC(/C=C/C(=O)NC1(CC(=O)OC)CCCCC1)=C\c1ccc2c(c1)OCO2 653803598 FFTKKOSNPNWNSC-WTQIEGGESA-N 399.487 4.147 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1cc3ncnc(Cl)c3s1)N(C)[C@@H](C)C2 962561666 DQUYBFLXATXJED-BTDLBPIBSA-N 389.908 4.328 0 1 GIAF Cc1ccnc2c1CCN[C@]2(c1ccccc1F)c1ccccc1CN1CCC1 963075055 ZKJSIJOJZYXRTH-VWLOTQADSA-N 387.502 4.172 0 1 GIAF CC(=O)Oc1ccccc1[C@]1(c2cc(F)cc(F)c2)NCCc2ccc(O)cc21 963339756 BMMPQNDOJXUZOY-QHCPKHFHSA-N 395.405 4.033 0 1 GIAF CSc1ccc([C@@]2(C(C)(C)C)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1 963494205 YHXZPKSVARAIEM-HTAPYJJXSA-N 385.529 4.311 0 1 GIAF COc1ccc(NC(=O)Nc2cccc(-c3nccc(N4CCCC4)n3)c2)cc1 1772642010 MVGTYPOYVWTLAS-UHFFFAOYSA-N 389.459 4.396 0 1 GIAF CCCN1CC(=O)Nc2cc(OC)c(Br)cc2[C@H]1c1ccccc1 1911579593 QZBCJLFGCIXSHD-LJQANCHMSA-N 389.293 4.211 0 1 GIAF CC=Cc1ccc(O[C@@H](C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2356338339 UWSPBGKTPVZWIB-AWEZNQCLSA-N 386.444 4.404 0 1 GIAF CC(C)=CCCC(C)=CCC[C@](C)(O)[C@@H]1Cc2c(O)cc3c(c2O1)CNC3=O 2356346903 CNUACMUVPKQEDD-REWPJTCUSA-N 385.504 4.163 0 1 GIAF CC(=O)OCC1=CC[C@](C)(c2cc(Br)c(C)cc2OC(C)=O)[C@@H]1C 2356433934 ZJBRKOVNMIPAKM-BLVKFPJESA-N 395.293 4.470 0 1 GIAF C[C@]12CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1CC(=O)c1cc3[nH]c4ccccc4c3cc12 2356803233 WVXOQWYNERVPNC-IRMYBRCSSA-N 377.440 4.027 0 1 GIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(COc2ccccc2)c1 5886087 DUEZQUINJRAGCV-UHFFFAOYSA-N 390.483 4.122 0 1 GIAF CCCCC[C@](C)(O)/C=C/[C@H]1[C@H](O)C[C@@H]2OC(=O)C(F)(F)CC/C=C\C[C@@H]21 40465278 JDUYYVZXUCCOCQ-HHPSSNHESA-N 386.479 4.158 0 1 GIAF Cc1sc(-c2cccc(C(F)(F)F)c2F)nc1Cn1cc(C(=O)O)cn1 43208555 HFXJDFUTCVGWAQ-UHFFFAOYSA-N 385.342 4.219 0 1 GIAF Cc1ccc(N2CCN(CC(=O)N(c3ccccc3)c3ccccc3)CC2)cc1 73196597 YFLIOMLSVRAGRJ-UHFFFAOYSA-N 385.511 4.482 0 1 GIAF CCCCOC(=O)N[C@@H](CCC)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 95586409 HDRATRCPKNYCCX-DOMZBBRYSA-N 395.500 4.308 0 1 GIAF CCS(=O)(=O)c1ccc2[nH]c(C(=O)c3ccc(-c4ccccc4)cc3)nc2c1 95593139 UPDAODXFBMJRPF-UHFFFAOYSA-N 390.464 4.255 0 1 GIAF CCOC(=O)c1s/c(=N\Cc2ccccc2Cl)n(-c2ccccc2)c1N 103199689 BZMVPJJCMGJDSH-QOCHGBHMSA-N 387.892 4.052 0 1 GIAF COc1cc(CN2CC(C(=O)O)C2)ccc1OCc1ccc(Cl)cc1Cl 143456804 KOMZDIJMFFDGRK-UHFFFAOYSA-N 396.270 4.097 0 1 GIAF CCN(CC)c1ccc(C(=O)NCCn2c(C)cc3ccccc32)cc1OC 169351835 VELCBSKNWUVZNQ-UHFFFAOYSA-N 379.504 4.235 0 1 GIAF C[C@@H](c1c(F)cc2ncccc2c1F)n1cnc2ncc(-c3ccncc3)nc21 222095136 DPAWGWHSNRTNEP-LBPRGKRZSA-N 388.381 4.324 0 1 GIAF CSc1nccc(N2CCC(N(C)Cc3c(F)cccc3Cl)CC2)n1 299865484 UAHGJSJQWKECES-UHFFFAOYSA-N 380.920 4.092 0 1 GIAF Cc1cc(NC(=O)c2occc2C)ccc1N1C(=O)c2cccc(F)c2C1=O 473170078 PSIQSWXUYHNQBQ-UHFFFAOYSA-N 378.359 4.088 0 1 GIAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 586914623 ZSYNCMPSALSWHL-UHFFFAOYSA-N 388.379 4.102 0 1 GIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586971993 CVFYEQFJRZBVOF-CYBMUJFWSA-N 395.315 4.375 0 1 GIAF Cc1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1C 587019925 SLSHETDCKUSXHE-UHFFFAOYSA-N 378.457 4.185 0 1 GIAF Cc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587353453 ZKOAYCGLIXDSGL-NZQKXSOJSA-N 389.382 4.046 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(OC)c1C(F)(F)F)[C@@H](C2)C3=O 587422388 UDEKSMJIUFQSKT-KPZWWZAWSA-N 394.345 4.220 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(Br)cc1F)CC2=O 587467147 OMDCBZUVPOMLRG-OAHLLOKOSA-N 380.213 4.348 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cncn1Cc1ccccc1 587577448 NWBFFYNOLXYMNL-XUZZJYLKSA-N 398.418 4.340 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2oc3cccnc3c2N)N1 587748155 VDYFKDAVWVIIEO-LZVRBXCZSA-N 390.256 4.109 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](c3ccnn3C)C2)N1 587759781 MURYJVXOSVKMES-NQCMUKECSA-N 392.316 4.409 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ncon3)cc2)N1 587794628 NKGBWEKDVNMXBC-BTDLBPIBSA-N 388.240 4.262 0 1 GIAF COc1ccc(O)cc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806275 JKRTZGQKTQQMMB-YPMLDQLKSA-N 380.257 4.100 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)O)cc2)N1 587820341 BETOXHAEAZIETR-YPMLDQLKSA-N 378.241 4.084 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C)(C)[C@H]1CC[C@@]2(C(=O)O)C1 587828628 UMPMTCGRRYXJTG-XYVUPVQVSA-N 396.300 4.229 0 1 GIAF COC(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587846815 IFTFFDXISKQSPE-XYZCENFISA-N 398.297 4.234 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(Cl)[nH]c(=N)n1 587855184 LMEVRIXIZPKTET-UHFFFAOYSA-N 384.654 4.101 0 1 GIAF COC(=O)Cc1cc(OC)n(CCCc2ccc(Cl)c(Cl)c2)c1OC 587942866 DIMRRHXWYZKMEO-UHFFFAOYSA-N 386.275 4.160 0 1 GIAF Cc1c(F)ccc2c1[C@]1(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C1)NCC2 962141937 CKOYSFIHCXRLKD-MZNJEOGPSA-N 392.474 4.104 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@]1(c1ccc(Cl)cc1)C1CNC1 962398457 NPFDCFDODMJJEM-QFIPXVFZSA-N 397.975 4.261 0 1 GIAF CN1Cc2ccc(CN(C)c3nc(-c4cccnc4)nc4ccccc34)cc2C1 1857556584 ONRHOYFBYTXYIK-UHFFFAOYSA-N 381.483 4.274 0 1 GIAF CC1(C)CCC[C@]2(C)C3=C(COC3=O)C[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@@H]12 2356323913 FLLYIKBNXZGXFU-NSXLHWASSA-N 396.483 4.407 0 1 GIAF CC(C)Cn1ccc2c(OCC(=O)NC[C@H]3CCCN4CCCC[C@H]34)cccc21 2356426468 ADQYEARHKJBSSO-TZIWHRDSSA-N 397.563 4.057 0 1 GIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@H]2CC[C@H](OC(C)=O)[C@H](C)[C@]12C 2356471476 PZAGHSIXBWZOQH-HKXXPYOOSA-N 390.476 4.170 0 1 GIAF 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Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1cc(F)ccc1Br 587650272 QTHJDVUGZHBDRR-UHFFFAOYSA-N 382.254 4.448 0 1 GIAF CCOC(=O)c1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660058 MZCZLEKIXLUFCJ-UHFFFAOYSA-N 388.398 4.369 0 1 GIAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F 587721622 PVKJUXAMOUMZCK-CQLKUDPESA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2[C@@H]2CCCCO2)N1 587759473 LCOGVGBYVRBDQB-VQTKTOELSA-N 394.288 4.107 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cccs2)N1 587848898 POIUUBQCCOUFJM-BMLIUANNSA-N 398.297 4.292 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(O)nc2Cl)N1 587853827 RWSDVWLEEPMZSK-FWOIEVBISA-N 377.666 4.027 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCN(CC)CC 587865265 ZUJQPIUEPVOVQD-UHFFFAOYSA-N 383.414 4.340 0 1 GIAF CCOc1ccc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1OC 587870156 AYXLHDUZYIXPKM-UHFFFAOYSA-N 384.407 4.184 0 1 GIAF Oc1cc(-c2ccccc2)c(O)n1-c1cc2cnccc2c(Br)n1 587940019 HEKMUYBYXIFXRK-UHFFFAOYSA-N 382.217 4.261 0 1 GIAF CNCCC(=O)Nc1ccc2nc(C)nc(Nc3ccc(F)c(Cl)c3)c2c1 653821045 NHVRRIIOSRPLRP-UHFFFAOYSA-N 387.846 4.022 0 1 GIAF COc1ccc([C@@H]2[C@@H]3C=CC=C[C@@H]3C(=O)N2c2ccc3nc[nH]c3c2)cc1F 1772654576 WGJVCYNPCKHATC-VWKPWSFCSA-N 375.403 4.157 0 1 GIAF OC[C@H](NCc1nc2cccc(OCC3CCCCC3)c2[nH]1)c1ccccc1 1857589061 HUNCTOSXTYHEHJ-FQEVSTJZSA-N 379.504 4.345 0 1 GIAF C[C@@H](Oc1cc(-c2ccc3ncnn3c2)cnc1N)c1cc(F)ccc1Cl 1911574688 QEKWATZRLREUGN-LLVKDONJSA-N 383.814 4.306 0 1 GIAF CCCCC[C@H](O)C(C)(C)C(=O)N1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1 2356854433 ROQRBGPOJLWCGH-ROUUACIJSA-N 375.509 4.323 0 1 GIAF COc1ccc([C@H]2C=CCN(CC(C)C)CC(=O)N2Cc2cccc(F)c2)cc1 18101164 IRRUMAHLWIUQQB-HSZRJFAPSA-N 396.506 4.432 0 3 GIAF CCCCNC(=O)OCCCN1CCC2(CCC(c3ccccc3)CC2)C1=O 96019326 DTSBZACKCRWZJD-UHFFFAOYSA-N 386.536 4.479 0 3 GIAF Cc1ccc(-n2c(SCc3ccccc3C)nc3[nH]ncc3c2=O)cc1C 4687701 DTISLOLEXKBBSF-UHFFFAOYSA-N 376.485 4.326 0 1 GIAF aggregator CCN1CCc2cc(OC)cc(Br)c2[C@H]1Cc1ccccc1O 13805167 TYEIZCYTFJEVNL-QGZVFWFLSA-N 376.294 4.325 0 1 GIAF COc1cc(C[C@H](C)[C@@H](C)[C@@H](OC(C)=O)c2ccc3c(c2)OCO3)ccc1O 14646544 PKUUYHBOLBVMTE-DJEJFTSGSA-N 386.444 4.249 0 1 GIAF biogenic COc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1[S@@](C)=O 27107052 IEFYWJDUDQTZGB-MHZLTWQESA-N 398.509 4.108 0 1 GIAF O=C1Nc2ccc(C(=O)Nc3ccccn3)cc2[C@H](c2ccc(Cl)cc2)N1 66259936 LEKUPXKCNOFHRM-SFHVURJKSA-N 378.819 4.212 0 1 GIAF CNC(=O)/C=C\c1cnc(N)c2c(-c3ccc4sc(C)nc4c3)csc12 84581644 XNEPVLVYFUGJLF-XQRVVYSFSA-N 380.498 4.223 0 1 GIAF O=C(C1CCCC1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4cccc(F)c4)cc3[C@@H]21 95866813 JMESCZKWBUYOGY-UEVCKROQSA-N 394.490 4.359 0 1 GIAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-n4cccc4)cc1)CN2C3 100950906 JMLZRLQBGATUMI-QTPBYWORSA-N 376.500 4.154 0 1 GIAF CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(F)cc2)C2=C(O)CC(C)(C)CC2=N1 103897109 MCNKUBNMAINQNC-FQEVSTJZSA-N 398.478 4.129 0 1 GIAF O=C(NCc1c(Cl)cc(Cl)cc1C(F)(F)F)[C@H]1COc2ncccc21 205623339 BMXFYLRLYGVKMS-NSHDSACASA-N 391.176 4.200 0 1 GIAF N#Cc1cccc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)c1 219738476 CGZLPRGFWYBQFV-DEOSSOPVSA-N 384.479 4.023 0 1 GIAF O=C(COc1ccccc1)Nc1ccc(-c2coc3cc(O)ccc3c2=O)cc1 473087646 GDXCFLBCNWMCLR-UHFFFAOYSA-N 387.391 4.183 0 1 GIAF CC[C@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 586890159 NKTIBXUTBOEVHP-OXQOHEQNSA-N 385.489 4.276 0 1 GIAF O=Cc1ccc(OCc2occc2-c2nc3cc(Br)ncc3[nH]2)cc1 586901720 ZGKLPUKCYPGRIM-UHFFFAOYSA-N 398.216 4.372 0 1 GIAF O=S(=O)(/C=C\c1nc2cc(Br)cc(Cl)c2[nH]1)c1ccccc1 586927060 TWJTUVFXAQSNGJ-SREVYHEPSA-N 397.681 4.423 0 1 GIAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 587162184 FFHPWAJCLUZSMU-UHFFFAOYSA-N 378.334 4.437 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCC(O)CC1 587237521 RXGCOYXHHOJTHQ-UHFFFAOYSA-N 399.413 4.237 0 1 GIAF CNc1cccc2c1[C@@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccccc1C2=O 587385697 DXZQXSNYRWZVIC-XMMPIXPASA-N 384.435 4.072 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccc(F)cc4F)c1C)[C@@H](C2)C3=O 587425365 CCKICUJWWYTCBQ-OYHNWAKOSA-N 396.393 4.265 0 1 GIAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@H](C)C(=O)OC)CC2=O 587479158 KTJRYQFISIXFQB-CMJOXMDJSA-N 382.456 4.101 0 1 GIAF COc1cccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602126 WJVHISIHDVGFIU-NFBKMPQASA-N 376.408 4.364 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CC1CCCCC1)C(=O)O 587604536 UVPLSWRLIKTALO-AVRDEDQJSA-N 382.412 4.148 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)O)c(F)c2)N1 587726726 ZGGHSOHWBHEDLJ-YYSFKGJASA-N 396.231 4.223 0 1 GIAF COc1cccc(OC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587803127 WNMJPPJXSCRLTP-MEDUHNTESA-N 380.257 4.251 0 1 GIAF COc1nccc2[nH]cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 587808306 YFPKOZPKDXIQMB-XLFHBGCDSA-N 390.256 4.097 0 1 GIAF CC(C)C1=CC=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)C1 587822898 NHSXZBXPRHCBTQ-BLVKFPJESA-N 378.285 4.429 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@H]2C1(C)C 587826113 GMEIZAJQKRURFS-CCJAYPMWSA-N 380.301 4.343 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(C(=O)O)C3(C)C)N1 587827607 LDHXACJSJXZDFV-NXRORBGOSA-N 396.300 4.229 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc(N(C)C)n1 587860079 MBPRTKGSUSYFJM-UHFFFAOYSA-N 378.263 4.101 0 1 GIAF CC1(C)Cc2c(cnn2-c2ccc(Cn3cncn3)cc2)-c2[nH]c3ccccc3c21 621478288 MIFKKYJMOTWKJR-UHFFFAOYSA-N 394.482 4.494 0 1 GIAF COc1ccc2c(c1)[C@@]1(C=CN2C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962713657 SHYSVKULLQCZOQ-WAIKUNEKSA-N 396.531 4.405 0 1 GIAF O=C(O)c1cc(F)c([C@H]2c3ccsc3CCN2Cc2ccco2)c(F)c1 962714311 ZEDZAIJEXNRVQI-GOSISDBHSA-N 375.396 4.465 0 1 GIAF CN1C(=O)C[C@H]2CN[C@H](c3c[nH]c4ccc(Br)cc34)c3cccc1c32 963037745 VWZICXARJGCUOU-YBTHPKLGSA-N 396.288 4.073 0 1 GIAF Cc1ccnc2c1CCN[C@@H]2c1c(C)c(C(=O)c2ccccc2)n2ccccc12 963074946 YWMSCXLADSIWPT-HSZRJFAPSA-N 381.479 4.417 0 1 GIAF CCCC[C@]1(C(C)C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963151195 RZGUZEQIBYHLCD-LIRRHRJNSA-N 382.526 4.431 0 1 GIAF CC(C)NCCCCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772579414 RYCPLRRNFHFIPC-UHFFFAOYSA-N 383.444 4.028 0 1 GIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N[C@H](C)C(F)(F)F)c2cn1)c1ccccc1 1772606448 HENJFQILYKLJFH-GHMZBOCLSA-N 392.385 4.203 0 1 GIAF CC[C@H](O)c1ccc(Oc2cc([C@H](O)CC)cc(OC)c2OC)c(OC)c1 1857610468 NATQNEQRCGOPTM-JKSUJKDBSA-N 376.449 4.392 0 1 GIAF Cc1nc(C(=O)NCc2ccccc2)sc1[C@]1(C)CC(c2ccccc2)=NO1 13478263 LXSZDALJUKZXON-QFIPXVFZSA-N 391.496 4.421 0 3 GIAF COc1ccccc1CN1CCN(Cc2nc(-c3ccc(C)cc3)oc2C)CC1 20780502 GCWCNYRZIYLORS-UHFFFAOYSA-N 391.515 4.285 0 3 GIAF C[C@@]1(C(=O)Nc2cccnc2)Cc2c(-c3cccc(C(F)(F)F)c3)ccnc2O1 61895790 QSFKRIWJSDXRER-FQEVSTJZSA-N 399.372 4.495 0 3 GIAF CC[C@@]1(c2cccc(Cl)c2)C(=O)N(C(=O)OC(C)C)N1C(=O)OC(C)C 199257518 QBYGIBIMFQTMEY-GOSISDBHSA-N 382.844 4.095 0 3 GIAF O=C(NCCO)c1c(-c2ccccc2Cl)noc1-c1c(F)cccc1Cl 2485017 BHCINEUKIXVYHN-UHFFFAOYSA-N 395.217 4.177 0 1 GIAF CCOC(=O)OC[C@@H]1O[C@@H](c2cc(C)cc(C)c2)C=C[C@@H]1OC(=O)OCC 7992559 MTNRXWGXIGXDEC-SQNIBIBYSA-N 378.421 4.014 0 1 GIAF O=C1c2c(O)cccc2Cc2ccc([C@H](CCc3ccccc3)C(=O)O)c(O)c21 13606159 UZOBICOUXZOJEI-SFHVURJKSA-N 388.419 4.034 0 1 GIAF CC(=O)Oc1ccc2c(c1)C[C@@H](C)n1c-2c(C=O)c2cc(OC(C)=O)ccc21 13650947 IIJLGZYAQCCAGR-GFCCVEGCSA-N 377.396 4.089 0 1 GIAF CCCN(CCC)C(=O)Cc1c(-c2ccc(Cl)cc2)nc2c(N)cccn12 13801056 CXVKFNSXWLQAPM-UHFFFAOYSA-N 384.911 4.428 0 1 GIAF CC(=O)Oc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC(C)=O)c1Cl 26023266 BYZWXQOEEACLNU-UHFFFAOYSA-N 381.426 4.066 0 1 GIAF O=S(=O)(O)O[C@H](CCc1ccccc1)COCc1cccc2ccccc12 26168294 XPONHWAAVLOZPP-HXUWFJFHSA-N 386.469 4.177 0 1 GIAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@H](C2)N(CC2CC2)CC[C@@]314 26579314 IYMLCJZYVKMKSH-KBCVXPAYSA-N 398.506 4.458 0 1 GIAF CC(C)N(CC[C@@]1(c2ccccc2Cl)C(=O)NCN2CCCC[C@@H]21)C(C)C 28265021 DMEITOFFTBHYHV-IRLDBZIGSA-N 391.987 4.029 0 1 GIAF COc1c2ccoc2cc2oc(-c3ccccc3)c(CN3CCOCC3)c(=O)c12 28712694 LLVXLDMMESUHIB-UHFFFAOYSA-N 391.423 4.047 0 1 GIAF O=S(=O)(c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(F)(F)C(F)F 34077344 HRKFATZEMKPDKK-UHFFFAOYSA-N 384.354 4.375 0 1 GIAF CC(=O)Oc1cc2c(c(OC(C)=O)c1)C(=O)OCCCCCCCCCC2 66066662 YJVCOVKCTYVELW-UHFFFAOYSA-N 376.449 4.371 0 1 GIAF CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)sc2c1C[C@@H](C)CC2 66075144 BGIOLBVXZZCDHF-HNNXBMFYSA-N 392.565 4.110 0 1 GIAF COc1ccccc1NC(=O)Nc1nn(-c2ccccc2)c(=O)c2ccccc12 71315758 LICHQSKCILPIJB-UHFFFAOYSA-N 386.411 4.038 0 1 GIAF Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2C(=O)N2CCCC2)c1 82145641 JDXWTMAVWJJWRR-UHFFFAOYSA-N 376.460 4.202 0 1 GIAF O=C(c1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1 100108689 KLMTVAJXWDWQDN-JKHIJQBDSA-N 390.433 4.212 0 1 GIAF COCCNC(=O)[C@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1 101000683 HLUCCADBHQWTOT-OKILXGFUSA-N 395.425 4.132 0 1 GIAF CC(C)=CN1Cc2c(I)ccc3[nH]c(=S)n(c23)C[C@@H]1C 101702047 QKALTFMJVRCJEX-JTQLQIEISA-N 399.301 4.431 0 1 GIAF O=c1cc(-c2ccccc2)oc2cc(O)c(OCCCN3CCCCC3)c(O)c12 103271067 MBMHBXHVLVZCMV-UHFFFAOYSA-N 395.455 4.126 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cccc(OC(F)F)c1 166829855 KVUGNCAMECQIRX-XJKSGUPXSA-N 391.414 4.415 0 1 GIAF Cc1ccc(O)c([C@H](CC(=O)N2C[C@H](C)C[C@@H](C)C2)c2ccc3c(c2)OCO3)c1 169296181 FKTXLFGWWUTSQI-ZHALLVOQSA-N 395.499 4.456 0 1 GIAF Nc1nnc(-c2ccc3[nH]cc(-c4cccc(N5CCCCC5)n4)c3c2)s1 204760351 KSBHDHYLKWLALZ-UHFFFAOYSA-N 376.489 4.321 0 1 GIAF Cc1cc(Cl)ncc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205101027 JHAZTIWLQBZZFD-UHFFFAOYSA-N 392.768 4.464 0 1 GIAF O=C1NCCc2[nH]c(-c3c(F)ccc4ccc(NC5CCCCC5)nc34)cc21 222349309 QEVCEBWHDLZUBA-UHFFFAOYSA-N 378.451 4.400 0 1 GIAF COc1ccc(-c2nnc(-c3ccc4nc([C@@H](O)CC(C)C)[nH]c4c3)o2)cc1 586901452 PYXMJQHOHWQNQP-SFHVURJKSA-N 378.432 4.368 0 1 GIAF O=[S@@](CCCc1nc2ccc(F)c(F)c2[nH]1)c1ccc(Br)cc1 586961856 YKQNYJGFVCZLCQ-QHCPKHFHSA-N 399.260 4.344 0 1 GIAF COC(=O)c1cc2[nH]c(Cc3ccc(Br)c(C)c3)nc2cc1OC 586976442 KRZFGFFJZBZCGC-UHFFFAOYSA-N 389.249 4.020 0 1 GIAF CCOC(=O)[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@@H](C)C1 586990155 ANFSJHBFPUKQRD-QWHCGFSZSA-N 387.435 4.381 0 1 GIAF N[C@@H](N=O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587012848 LJOBWJMTBFOEDS-LBPRGKRZSA-N 378.255 4.050 0 1 GIAF COC(=O)c1cccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c12 587065181 LLCJLNYJJKRHGP-UHFFFAOYSA-N 380.835 4.472 0 1 GIAF Cc1csc([C@](O)(Cc2nc3ccc(OC(C)C)cc3[nH]2)C(F)(F)F)n1 587094043 IRGHPKPVWKBJCT-MRXNPFEDSA-N 385.411 4.108 0 1 GIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cc2N1 587127046 QIDYOXFLSBTGHC-XRGYYRRGSA-N 391.184 4.436 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCCC3)nc1OC)CC2=O 587476622 VTUJBTMGRDOQHY-HSZRJFAPSA-N 396.487 4.229 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(C)c(C)c1)CC2=O 587483592 RNSSHVYHJQKZLZ-HSZRJFAPSA-N 382.456 4.385 0 1 GIAF C[C@@]1(CC(=O)NCc2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505634 JFMJJXRVYYWJPI-QHCPKHFHSA-N 381.447 4.135 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2nc(F)ccc12 587572151 TULDOESHMKCIPF-FXAWDEMLSA-N 376.343 4.111 0 1 GIAF CC1(C)[C@@]2(N)CC[C@@]1(C)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578724 XDJZVICGMADYTD-ULLYJBBUSA-N 379.456 4.020 0 1 GIAF CCc1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn12 587588668 RFQCHTBXKSOHSX-WMZHIEFXSA-N 386.407 4.305 0 1 GIAF CCOc1ccc(C(=O)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587592553 AGGCUQIYKBTMTR-AUSIDOKSSA-N 390.391 4.004 0 1 GIAF C[S@](=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587605055 AUDKVEXAHWNADV-FGJOCGMUSA-N 394.448 4.007 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2ccc(F)c(F)c2)N1 587726068 UDQYQSPBXPHFLL-ZKANADHPSA-N 384.195 4.325 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)o2)N1 587766617 ONRLNZCTUQKVTD-ADLMAVQZSA-N 379.273 4.405 0 1 GIAF COC(=O)C[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587809069 QBOHREMZRLWHLE-YNKQFZHNSA-N 384.289 4.071 0 1 GIAF COc1cc(OC)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587812548 ZZAYGRHKBDTLCB-WYRIXSBYSA-N 394.284 4.403 0 1 GIAF CCOc1cc(-n2c(O)cc(-c3cccc(F)c3)c2O)c(Cl)cc1C(=O)O 587939520 BWWCPZYBEHYAAG-UHFFFAOYSA-N 391.782 4.445 0 1 GIAF C[C@H](CCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)CC(=O)O 587961768 WUFFEOFWNRTPNY-SSDOTTSWSA-N 379.176 4.388 0 1 GIAF COc1ccc2c(c1OC)[C@@](Cc1ncccc1C)(C(F)(F)F)N(C)[C@@H](C)C2 962560540 CQVAQDPAVMJHRG-XOBRGWDASA-N 394.437 4.284 0 1 GIAF C=C1NC(C)=Cn2nc([C@@]3(C)c4ccsc4CCN3Cc3ccco3)cc21 962701037 CQWKFZJYHNHZBN-OAQYLSRUSA-N 378.501 4.252 0 1 GIAF COc1ccc(C(C)C)cc1-c1cncc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772616823 CHLZIWFWVUXREO-GOSISDBHSA-N 381.432 4.179 0 1 GIAF CC[C@@H](NC(=O)c1cnn2cc(-c3ccccc3)cnc12)c1ccc(OC)cc1 1772625474 RURXFMNQJATLEK-OAQYLSRUSA-N 386.455 4.286 0 1 GIAF COc1c(-c2coc3c4c(ccc3c2=O)OC(C)(C)C=C4)ccc2c1OCO2 2356515758 YNBVUTMRBRAVSR-UHFFFAOYSA-N 378.380 4.382 0 1 GIAF CCCCC[C@@H]1C=C[C@H]2[C@H](CC=CCCCC(=O)O1)C(=O)C[C@H]2OC(C)=O 2356566770 TYOJAIKYXCRSCC-XODKDNOYSA-N 376.493 4.302 0 1 GIAF O=C(Nc1ccc(F)c(Cl)c1)c1cc([C@@H]2CCCCN2C(=O)C2CC2)on1 61904571 RXCPRHPKVXAAOR-INIZCTEOSA-N 391.830 4.183 0 3 GIAF C[C@@]1(C(=O)NCc2cccc(C(F)(F)F)c2)CCN1CCc1ccccc1 61907753 PWFIUGDTPHAWIW-FQEVSTJZSA-N 376.422 4.029 0 3 GIAF Cc1ccc(SC[C@@H](CF)O[C@H](C)n2cnc3c(Cl)nc(N)nc32)cc1 1855776 ISLNYJOKMLBOQG-VXGBXAGGSA-N 395.891 4.036 0 1 GIAF CCOc1ccc(N(CC)C(=O)CCc2nc(-c3ccccc3F)no2)cc1 4921500 HNYUXEYXKRYXGR-UHFFFAOYSA-N 383.423 4.260 0 1 GIAF CCN(CC)C(=O)C[C@@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681853 NUYXZZNRVPOMFS-VRTOREJESA-N 383.532 4.302 0 1 GIAF CC(C)N1CCC[C@H](Cn2cnc3ccc(Oc4ccc(F)cc4)cc3c2=O)C1 28711997 KVPCNAOFPBDLEG-KRWDZBQOSA-N 395.478 4.448 0 1 GIAF Brc1ccc([C@@H]2CO[C@@](Cn3ccnc3)(c3ccccc3)O2)cc1 28768652 PKKSVUFZENJNBX-RBUKOAKNSA-N 385.261 4.287 0 1 GIAF COc1ccc(S(=O)(=O)Oc2ccccc2NC(=O)Nc2ccccc2)cc1 29408421 CQVHSEGCNONYBF-UHFFFAOYSA-N 398.440 4.107 0 1 GIAF Cc1cc(=O)c(OCc2ccccc2)c(C(=O)Nc2cnc3ccccc3c2)o1 40410765 IGXCJNHSQKAUJY-UHFFFAOYSA-N 386.407 4.328 0 1 GIAF CC(C)(C)OCCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 40953480 AUXPOHZROHFDGA-UHFFFAOYSA-N 387.351 4.250 0 1 GIAF Cc1c2c(c3cc(-c4ccc(-c5nnn[nH]5)nc4)oc3c1C)CCC(C)(C)O2 43011734 FFCDOIQCFRRCAT-UHFFFAOYSA-N 375.432 4.395 0 1 GIAF c1nc(NCCCN2CCCCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1 64597015 RHYZZPGZRKKZBQ-UHFFFAOYSA-N 390.487 4.313 0 1 GIAF CCN1[C@H]2CC[C@@H]1c1c(n(C)c3ccc(S(=O)(=O)c4ccccc4)cc13)C2 73200468 UTRZRTWCKQEHFM-MGPUTAFESA-N 380.513 4.093 0 1 GIAF Nc1ccc(/C=C/C(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1 95597265 OSECXEGZDQLLRO-BJMVGYQFSA-N 394.906 4.492 0 1 GIAF O=C1CC(=O)N(CCCCc2ccccc2)C(=O)N1CCCCc1ccccc1 102842856 ZHZKZDPTVAIYET-UHFFFAOYSA-N 392.499 4.213 0 1 GIAF CCc1cc(C(=O)N(Cc2ccc(Oc3ccc(C)cc3)cc2)C(C)=O)n(C)n1 103170307 UNDUNRGYJHZZGD-UHFFFAOYSA-N 391.471 4.272 0 1 GIAF CCc1cc(C(=O)C(C)C)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 103262811 NEMBGFNBPCEMHS-UHFFFAOYSA-N 388.512 4.223 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1cccc(N2CCCC2)c1 166376099 SRCAXQLZTYEFAG-YLJYHZDGSA-N 394.515 4.414 0 1 GIAF CN1[C@@H]2C[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C[C@H]1[C@@H](C(=O)O)C2 169345612 RFSBZRWCRLFPFN-FYQPLNBISA-N 387.426 4.007 0 1 GIAF Cc1ccc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)cc1F 221064456 WVQYLZKUDPZBGT-VIZZQPHQSA-N 392.446 4.447 0 1 GIAF C=Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 223670367 LOGYBDHXLFLDMI-SFHVURJKSA-N 387.512 4.378 0 1 GIAF CCCCC[C@H]1[C@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C/C=C\CCCCCCC(=O)O 231931678 DTTMKDYOUCSFNN-YGCNMGMLSA-N 396.568 4.213 0 1 GIAF NC(=O)c1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587148507 BFDOLEADZXEKNF-IBGZPJMESA-N 379.366 4.108 0 1 GIAF C[C@@]1(c2cn3c(n2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340380 SMUMUYMDMDQXDW-GGAORHGYSA-N 392.430 4.338 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc3ccccc3[nH]c1=N)(C(C)(C)C)O2 587392027 VZNXYROTLMIWHQ-QHCPKHFHSA-N 375.472 4.445 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3CN(Cc4ccccc4)C[C@@H]3C1)O2 587397931 COQZODUVQWTJAL-AXHZCLLHSA-N 376.500 4.213 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H](c2ccccc2)CCC[C@@H]1CC(=O)O 587408604 QNFSSAGCQRFQQZ-QSAZIKIQSA-N 379.456 4.340 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C[C@@H]4CCC[C@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O 587445625 XBVOFPIWUDPLST-UVYNTUDKSA-N 389.495 4.399 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1sc(-c4ccc(C)n4C)nc1C)[C@@H](C2)C3=O 587449609 GDBSDHAJIAMLAZ-NYHFZMIOSA-N 394.496 4.437 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccccc4OC)cs1)[C@@H](C2)C3=O 587451995 PRXANSGBHQIZSV-VBKZILBWSA-N 379.437 4.316 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(Cl)cn1)CC2=O 587460320 HBYULKSTXBJGII-HXUWFJFHSA-N 388.851 4.146 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ncccn1)CC2=O 587465825 HHDRYFMDWCKPKA-JOCHJYFZSA-N 378.403 4.183 0 1 GIAF COc1ccc(Cl)c2sc(-n3ncc4ccc(Cl)cc4c3=O)nc12 587652962 ACSCXPURAKTCSE-UHFFFAOYSA-N 378.240 4.311 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587724560 JHCAHJACLOJYDH-HUTHGQBESA-N 396.231 4.138 0 1 GIAF COCCOc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587791335 HMVNVLVAYMFNQF-CWTRNNRKSA-N 394.284 4.237 0 1 GIAF COCCOC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798089 XJSSMUPWIYVRBL-KPZWWZAWSA-N 388.321 4.027 0 1 GIAF COc1ccc(COC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587799132 AJBSQNALZQDOKZ-BLVKFPJESA-N 394.284 4.389 0 1 GIAF COCc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587800365 GFWOESOZJUYXPB-WYRIXSBYSA-N 394.284 4.367 0 1 GIAF COC(=O)c1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587827813 LEFRXIDEMDQJPP-LZVRBXCZSA-N 396.256 4.074 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc4c(c32)CCO4)N1 587834245 KKBWAZYFBSIKLE-PRWKNARSSA-N 388.280 4.247 0 1 GIAF CCC[C@@]1(CCC(=O)O)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962962193 WEOOPQQGFNGOJT-IBGZPJMESA-N 385.426 4.217 0 1 GIAF COc1cc(-c2nnc(-c3c[nH]c4c3Cc3ccccc3-4)o2)cc(OC)c1OC 1772599265 VEUDNPQDEVRMNR-UHFFFAOYSA-N 389.411 4.329 0 1 GIAF O=C(NCc1cccc(Cn2cnc3ccccc32)c1)c1cc2cc(O)ccc2[nH]1 1857541277 YXAVJBULLVWIHH-UHFFFAOYSA-N 396.450 4.202 0 1 GIAF O=C(NCC1CC1)c1cccc(C2(CNCc3ccc(F)c(Cl)c3)CC2)c1 1857612904 FBONPMZTIBFEIY-UHFFFAOYSA-N 386.898 4.440 0 1 GIAF COc1ccc(-c2cc(Cn3cc(-c4cc(C)ccc4C)nn3)on2)cc1OC 1857651819 RXUHOWJQIOVCFA-UHFFFAOYSA-N 390.443 4.282 0 1 GIAF CC[C@@H](C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)nc1)c1ccccc1 1857744320 GMTQIBOGHFJELF-QGZVFWFLSA-N 392.434 4.188 0 1 GIAF CC[C@H]1CCN2C(=O)[C@](c3ccccc3)(C34CC5CC(CC(C5)C3)C4)NC2=N1 1911586404 NCNHMQSEMXLHCB-GFNFHDTJSA-N 377.532 4.068 0 1 GIAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 775517 KYIKSMQHPQAMTK-IRXDYDNUSA-N 386.492 4.071 0 1 GIAF O=C(NCCc1ccc(F)cc1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4049560 VOZMMXSTHCZNBV-GGAORHGYSA-N 388.442 4.276 0 1 GIAF CCOC(=O)Cn1nc(-c2ccccc2)c2cnc3ccc(OCC)cc3c21 4969960 GDTYMVMTHXVERC-UHFFFAOYSA-N 375.428 4.213 0 1 GIAF Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCCC3 13488018 IOXYLQYEPCUPNE-FYYLOGMGSA-N 389.543 4.246 0 1 GIAF COc1ccc(CNC[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1OC 13651335 LPZZOYUHFGKRBK-HSZRJFAPSA-N 385.504 4.208 0 1 GIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2occc2[C@@H]1CN1CCCC1 13737719 NZBGPQIBCIBEQA-SFHVURJKSA-N 393.314 4.351 0 1 GIAF O=C([C@@H]1CCCN1)N1CCC[C@@H]1P1(=O)Oc2ccccc2-c2ccccc2O1 13795537 AIEHHNWFVDMCGL-PXNSSMCTSA-N 398.399 4.018 0 1 GIAF COc1ccc(CCN[C@@]2(Cc3ccccc3)C[C@H](C)N(C)C[C@@H]2C)cc1OC 19462401 GOTLBDMBTPMJPE-ZYLNGJIFSA-N 396.575 4.178 0 1 GIAF CCCCC(=O)SC[C@H](CO[P@](=O)(O)OC)SC(=O)CCCC 27412341 SMKPZZYHPPCXNY-LBPRGKRZSA-N 386.472 4.018 0 1 GIAF CC1(Nc2nccc([C@@H]3CCCN(CCc4c[nH]c5ccccc45)C3)n2)CC1 40915258 WYOWHPSXPQOGLA-GOSISDBHSA-N 375.520 4.344 0 1 GIAF in-vitro CC(C)c1cc(CCCC[C@@](O)(C(N)=O)C(F)(F)F)cc(C(C)C)c1O 45357152 XJXBCCBBJFTJDZ-GOSISDBHSA-N 375.431 4.131 0 1 GIAF Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccccn3)cc2c1 66166871 YIMSVZILVFFYPG-UHFFFAOYSA-N 383.451 4.074 0 1 GIAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1 82132553 NZPKXGCJRFDWHL-FXAWDEMLSA-N 378.520 4.442 0 1 GIAF CCCS(=O)(=O)c1ccc2[nH]c(-c3cccc(OC(F)(F)F)c3)nc2c1 84722644 XLSXASRFKWCYKL-UHFFFAOYSA-N 384.379 4.312 0 1 GIAF CN(C(=O)c1cccc(F)c1)[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169322558 UUNPXSFUIQPRLO-UTKZUKDTSA-N 377.463 4.141 0 1 GIAF COc1ccccc1-c1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 219763424 JPURUKRXIQDNFD-JOCHJYFZSA-N 389.495 4.160 0 1 GIAF Brc1ccc(-c2nc(Cc3nc4cnccc4[nH]3)cs2)s1 587019521 MQJCWZQJAAVMEN-UHFFFAOYSA-N 377.292 4.496 0 1 GIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2nc(Br)c[nH]c-2n1 587070003 OGVLUHJJMBLIBH-MRVPVSSYSA-N 379.645 4.097 0 1 GIAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(CO)cc3[nH]2)cc1F 587144029 HJBBCXZOZSZYKM-UHFFFAOYSA-N 376.387 4.101 0 1 GIAF Brc1cncc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232416 UFNHAHNAKMKIIC-UHFFFAOYSA-N 383.249 4.270 0 1 GIAF CC1(C)[C@@H](C(=O)O)C[C@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356255 ZYDQXDHNIKOGKU-NZQNYPKQSA-N 398.430 4.396 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(C)(C)Cc3[nH]nc(C(F)(F)F)c31)O2 587384289 ZRJSEWREVBAELE-SFHVURJKSA-N 379.382 4.152 0 1 GIAF CN1CCN(c2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2F)CC1 587502428 DMGOJTSEAQXCNL-HSZRJFAPSA-N 394.490 4.163 0 1 GIAF O=C(COc1ccccc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658648 QTECGZXSLUDFGQ-UHFFFAOYSA-N 392.361 4.061 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NCc1ccccc1 587661177 KPZKITNZBGBTAD-UHFFFAOYSA-N 389.455 4.125 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(N)CC[C@@]2(C)C3(C)C)N1 587745685 KGCPOVOUYHNYOJ-ISOTWLOGSA-N 381.333 4.245 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC[C@H]2CN(C(C)(C)C)C1 587773026 IURKHVZTABVKBM-SNPRPXQTSA-N 395.360 4.458 0 1 GIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 587785083 LDLVRFZMNMPLQL-UONOGXRCSA-N 376.334 4.405 0 1 GIAF Cc1occc1[C@]1(Cc2ccccc2Cl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962765762 NGGFLAJEDCBBJN-UNMCSNQZSA-N 399.849 4.466 0 1 GIAF CCC(CC)c1nc2c(N3CCNCC3)ccnc2n1Cc1cccc(C)c1 1857744514 AMEIVCNGERIVGC-UHFFFAOYSA-N 377.536 4.101 0 1 GIAF CC[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Br)cc1 1911570936 XPELFAAZPBQLTI-OAHLLOKOSA-N 391.265 4.050 0 1 GIAF COc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)cc1OC 2458857 ISQQSVMQLWWXCH-UHFFFAOYSA-N 379.338 4.385 0 3 GIAF COCCNc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccccc12 10433688 IUYWXBJWBMFZFD-UHFFFAOYSA-N 387.365 4.022 0 3 GIAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 775151 QSWVDTBQNDWZOC-WBMJQRKESA-N 388.464 4.346 0 1 GIAF CCCC[C@]1(CC)CS(=O)(=O)c2ccc(N)cc2[C@@H](c2ccccc2)[C@H]1O 1890634 BRUPDJCPCGJHKU-YPAWHYETSA-N 387.545 4.136 0 1 GIAF CN(Cc1cc2ccccc2n1Cc1ccc(O)cc1)C(=O)c1ccc(O)cc1 14946239 CKRBUNPOJQSAOF-UHFFFAOYSA-N 386.451 4.373 0 1 GIAF CC[C@H](c1ccccc1)c1n[nH]c2c1CN(Cc1nc(C)c(C)nc1C)CC2 20866692 QSDKWUGZOOCNSB-LJQANCHMSA-N 375.520 4.225 0 1 GIAF O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccs2)c1=O 25232534 IDKCMNQTFVCYOL-WBVHZDCISA-N 382.529 4.103 0 1 GIAF biogenic C[C@H](C(=O)O)n1c(-c2c[nH]c3ccccc23)c(-c2c[nH]c3ccccc23)oc1=O 26495869 QFJKGHXALUHYBC-GFCCVEGCSA-N 387.395 4.384 0 1 GIAF CO[C@H](C)C(=O)N(c1ccccc1F)[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C 26735429 FRLCLTFQCIWDIX-NNMXDRDESA-N 398.522 4.147 0 1 GIAF O=S(=O)(CC(F)(F)F)Nc1cccc(OCc2ccc3ccccc3n2)c1 40505495 LGMGJVUSEXIRKT-UHFFFAOYSA-N 396.390 4.118 0 1 GIAF CC(C)[C@@H](C)Nc1cc(-c2[nH]c([S@](C)=O)nc2-c2ccc(F)cc2)ccn1 71297016 ZBJPQFVITVEFPP-PFUSGODGSA-N 386.496 4.472 0 1 GIAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc(F)cc3)n2)C1 82140733 BRTDFGJFIVMRTM-IAGOWNOFSA-N 396.510 4.391 0 1 GIAF COc1cc(C(=O)c2c[nH]c(-c3coc4ccccc34)n2)cc(OC)c1OC 95555717 LPRWOJPWYGARRC-UHFFFAOYSA-N 378.384 4.080 0 1 GIAF CCS(=O)(=O)c1ccc2[nH]c(O[C@H]3CC[C@H](c4ccccc4)CC3)nc2c1 101653982 HUQQIGOAVHTHBH-CALCHBBNSA-N 384.501 4.462 0 1 GIAF CCc1ccc(-c2ccc(C(=O)NCC(=O)NCc3ccccc3C)cc2)cc1 148879356 CHEWOUMVNNRPQL-UHFFFAOYSA-N 386.495 4.271 0 1 GIAF CC1=N[C@]2(N=C1N)c1cc(Br)ccc1CC21CCC(C(F)F)CC1 169708826 SEMLTECGFLAMPC-WICREQFHSA-N 396.279 4.431 0 1 GIAF Cc1cc(C(F)(F)F)cc(Oc2ccc(Cc3sc(=O)[nH]c3O)cc2)n1 169722708 AQTYILIANXMXGV-UHFFFAOYSA-N 382.363 4.247 0 1 GIAF Nc1ccnc(Oc2c(C3CCC3)ccc(-c3cc4cc[nH]c4nn3)c2F)n1 224576914 GMSFLDBLBRDGNL-UHFFFAOYSA-N 376.395 4.196 0 1 GIAF O=C1C[C@@]2(CNc3ccc(Cl)cc32)c2cnn(Cc3ccc(Cl)cc3)c2N1 299870622 WQBHHLBPRFUYNI-FQEVSTJZSA-N 399.281 4.292 0 1 GIAF CCCn1cnc2cc(-c3nc4cc5c(cc4[nH]3)OCO5)cc(Br)c21 587004288 QUROZBGPOIMVSH-UHFFFAOYSA-N 399.248 4.481 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3cc4ccccc4cc3[nH]2)C(F)(F)F)n1 587094206 MQQUTQMZBHRVJO-KRWDZBQOSA-N 377.391 4.474 0 1 GIAF CC(C)(C)Oc1cc(-c2nc3ccnc(Br)c3[nH]2)c(N)cc1F 587135684 AZOAXACHEALNRA-UHFFFAOYSA-N 379.233 4.286 0 1 GIAF Cc1ccc(/C=C\c2nc3cc(I)cnc3[nH]2)cc1F 587146192 CSAHMCMJVJGYGF-PLNGDYQASA-N 379.176 4.180 0 1 GIAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)C2 587246005 CHNOUHVTLVLQRX-SFHVURJKSA-N 379.357 4.072 0 1 GIAF COc1cc(N)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341749 ZXOHVNSWFLYJMK-GGAORHGYSA-N 393.414 4.396 0 1 GIAF O=C(O)C1C[C@@H]2CC3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587347372 AKAUYNOCYFRQDW-XXXMDQEUSA-N 396.414 4.150 0 1 GIAF CC(C)(C)OC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353419 ZDAUZTOVSKBZBE-SIKLNZKXSA-N 386.419 4.381 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2c(F)ccc(F)c21 587385652 FHANKWFAKZIYMQ-QHCPKHFHSA-N 391.373 4.309 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccccc2C2=C1CCC(C)(C)O2 587410915 HHDJOCWHWQTKSL-XMMPIXPASA-N 389.451 4.478 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccccc1C(C)C)[C@@H](C2)C3=O 587433736 VJBOUWQORHXIBN-SBUREZEXSA-N 379.456 4.354 0 1 GIAF CCOc1cc(OCC)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC)c1 587443498 VOESFVNBOZYQDW-MWTRTKDXSA-N 398.455 4.380 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)cc1-n1cncn1)CC2=O 587461449 KIMFEUOSVKGXJX-IBGZPJMESA-N 383.835 4.285 0 1 GIAF CCOC(=O)C[C@@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599317 WTIIYHXLHDYFSX-SIKLNZKXSA-N 384.428 4.092 0 1 GIAF C[C@H](Oc1ccccc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658673 SFSYTVKYCUTAMK-HNNXBMFYSA-N 388.398 4.310 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](c3nccn3C)C2)N1 587754775 MOUSBQRBQUOQOY-SPKLELGKSA-N 392.316 4.409 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nn(C)c3ccccc23)N1 587765209 RVFQMMMJUJPJGM-NSPYISDASA-N 388.284 4.273 0 1 GIAF CCC[C@]1([C@@H](C)C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792709 CEVJHMZDZVQKIR-OAVHHTNSSA-N 386.305 4.317 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@H](c2csc(Br)c2)N1)C(F)(F)F 962719135 XKBAOIYEDBUTIW-YPMHNXCESA-N 390.224 4.246 0 1 GIAF Cc1sc2c(c1C)CCN[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 963014177 UNGBBLCBRHLKRS-QWHCGFSZSA-N 378.460 4.397 0 1 GIAF Cc1cc(Br)c(F)cc1[C@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963024653 KZOHZEVIIQUGKE-WLRWDXFRSA-N 389.268 4.039 0 1 GIAF CC[C@H](CN)OC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1 1857646776 RZISDSIJYSAGER-LJQANCHMSA-N 399.531 4.383 0 1 GIAF CC=C(C)C(=O)OCC1=C[C@H](O)[C@H](C(C)C)[C@H](OC(C)=O)CC(C)=CCC1 2356574311 VGTTVAAIDFWDEA-HBMCJLEFSA-N 378.509 4.117 0 1 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@]12C 2356582147 CDBIVUXQDDOZNF-HSDAYUCBSA-N 388.460 4.319 0 1 GIAF C[C@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)N1c2ccccc2C[C@H]1C 3446315 BWAGUYHGOJSUMU-CVEARBPZSA-N 390.439 4.277 0 3 GIAF OCCN1N=C2c3cc(Cl)ccc3SC[C@H]2[C@@H]1c1ccc(Cl)cc1 1046405 CIUJUUCPECGPRN-QAPCUYQASA-N 379.312 4.469 0 1 GIAF CC[C@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@H](O)C(C)C 1491377 CCMLBTWPLDKEBS-PKOBYXMFSA-N 396.539 4.227 0 1 GIAF COCCNC(=O)c1c(-c2ccccc2F)noc1-c1c(F)cccc1Cl 2485118 KNSOBUKSHVGPFL-UHFFFAOYSA-N 392.789 4.316 0 1 GIAF CCCCNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC1(CCCCC1)O2 2489236 AJQWORSNFMDKIH-HXUWFJFHSA-N 388.552 4.369 0 1 GIAF C[C@@]12CC[C@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O 3977835 GDUPBUZZJUIEDX-VVQSFYORSA-N 378.512 4.453 0 1 GIAF in-vitro Cc1ccc(CS[C@H]2NC(=O)n3cnc(Cc4ccc(C)cc4)c3N2)cc1 27108104 DYCMWRCGBVHPRC-HXUWFJFHSA-N 378.501 4.291 0 1 GIAF OCCN1CCN([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)c3ccccc32)CC1 28009382 KZIRWQDAAMOPNE-WIYYLYMNSA-N 391.342 4.180 0 1 GIAF Cc1ccc(O)cc1Nc1c(C(N)=O)cnc2ccc(-c3cncs3)cc12 45227235 ZCVJSJKEEYSGNR-UHFFFAOYSA-N 376.441 4.215 0 1 GIAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@H](CO)C3)co2)cc1 82069324 DVSIHYGWMYOKNN-KRWDZBQOSA-N 386.492 4.145 0 1 GIAF O=C1CCCCCCCCCC[C@H](NS(=O)(=O)c2ccccc2)CCCN1 103215455 XVDPQQOAINIPHI-IBGZPJMESA-N 394.581 4.145 0 1 GIAF COc1cccc(-c2cn(C)c(SCc3cn4c(C)cc(C)nc4n3)n2)c1 113423616 MKLOOTFRMXQUJS-UHFFFAOYSA-N 379.489 4.048 0 1 GIAF CCN1C[C@H](c2ccccc2)OC(=O)[C@H]1CC(=O)Nc1ccc(C(C)C)cc1 117777801 DCWMQAIFTKVWMM-NHCUHLMSSA-N 380.488 4.127 0 1 GIAF Cc1nc2cc(-n3ncc(C(=O)c4cc5ccc(C6CC6)cc5[nH]4)c3N)ccc2[nH]1 149886093 LFPRKVXYLRYTJA-UHFFFAOYSA-N 396.454 4.229 0 1 GIAF COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 169352589 VVOONWVRIYRRAY-LNRYZXKGSA-N 380.415 4.264 0 1 GIAF COc1cccc(Cc2noc(-c3ccc(Cl)cc3OC3CCNCC3)n2)c1 206100458 JHFGMFJQOCSEGM-UHFFFAOYSA-N 399.878 4.120 0 1 GIAF CC(C)[C@@H]1CC[C@@]2(C)CC[C@H](O)[C@@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C\c1ccccc1 238787735 BYIDNKQJXAGYPI-MFQFZGMVSA-N 386.532 4.206 0 1 GIAF Cc1cccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c12 586958522 FNRNXKFNBWNETF-JOCHJYFZSA-N 377.307 4.374 0 1 GIAF O=C(CCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc(Cl)cn1 587082139 LOUMETOAKMZCMG-UHFFFAOYSA-N 379.750 4.138 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(C)ccnc4[nH]3)c(F)c2)c1 587147337 MQLWGNVGSVHHCR-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF O=C1c2ccc(O)cc2OC2(CCC(n3cnnc3)CC2)[C@@H]1c1ccc(F)cc1 587345458 ZQVUFIGZPTVMBZ-PWOUQQLPSA-N 393.418 4.036 0 1 GIAF CC1(C)[C@H]2C[C@@H]1[C@](C)(O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346813 AJVUKXMVTFSSAH-GHIPTWDASA-N 396.458 4.446 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)c4cc(OC)c(OC)cc41)[C@@H](C2)C3=O 587443604 RLHRHXPWUAKVDW-QMHKHESXSA-N 380.440 4.037 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 587483823 DRCNTXHFNCCBMX-XJDIIYGHSA-N 387.476 4.078 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(OCC(=O)OC)c(C)c1)CC2=O 587484573 SESUEXNPDBRPTF-FQEVSTJZSA-N 398.455 4.220 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)co1 587548217 TYVITHQHZAMPTF-CRAIPNDOSA-N 387.185 4.451 0 1 GIAF CC(=O)Nc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587741762 IGGVLLGKPHDUTC-YPMLDQLKSA-N 377.257 4.170 0 1 GIAF COC(=O)[C@@H]1CCC[C@@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587809546 RYKJEOIBEQGGHZ-FMTVUPSXSA-N 384.289 4.071 0 1 GIAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c2)c1 587932980 IKGXGRVGZBQSAP-UHFFFAOYSA-N 387.439 4.313 0 1 GIAF C[C@H](CCC(=O)O)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587959852 BDHDMPYNFTXUAA-SSDOTTSWSA-N 379.176 4.388 0 1 GIAF Cc1nn(C)c([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1Cl 962642209 OGLFNSBKRYYFHM-UGKGYDQZSA-N 392.934 4.218 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCC(=O)O)c1cc(C)c(C)cc1C 963632720 GURMLHVEQHTPOL-XDHUDOTRSA-N 397.515 4.272 0 1 GIAF O=S(=O)(c1ccccc1)N1Cc2ccc(C3CCN(C4CCC4)CC3)cc2C1 1857578776 CEODDGIHJCYXNH-UHFFFAOYSA-N 396.556 4.123 0 1 GIAF COc1ccc(N2C(=O)CN([C@H](C)c3ccc(F)cc3)C2=S)cc1Cl 1857646218 QAWKHBQUTZUDDX-LLVKDONJSA-N 378.856 4.182 0 1 GIAF CCC[C@H]1[C@@H](OC(=O)NCc2cccnc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205710646 FHHYEYXSKXYNSM-QTDGGUCWSA-N 399.535 4.048 0 3 GIAF CCCCN(CC)c1cc(C)nc2c(-c3cnc(N(C)C)cc3C)c(C)nn12 13583153 FZRYNHVKHWRPAV-UHFFFAOYSA-N 380.540 4.409 0 1 GIAF c1cn(-c2ccc(O[C@@H]3CCCCN(Cc4ccc5c(c4)OCO5)C3)cc2)cn1 28818853 HGPUMTWTRGEZDO-OAQYLSRUSA-N 391.471 4.035 0 1 GIAF CC[C@H](CN1C(=O)C(c2ccccc2)(c2ccccc2)N=C1N)c1ccccc1 45201124 PSNGTIQWNUJCAN-LJQANCHMSA-N 383.495 4.281 0 1 GIAF COc1ccc2c(O[C@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1 45245444 FKNPFDGOZHGKTD-OAHLLOKOSA-N 397.438 4.488 0 1 GIAF Cc1nc2ccccc2c(=O)n1-c1ccc(O[C@H]2CC[C@@H](N3CCCC3)C2)cc1 45484538 RWNXKETUEWVUIP-CTNGQTDRSA-N 389.499 4.090 0 1 GIAF CC1CCN(C(=O)c2ccc3c(c2)c2c(n3C)CCN(C3CCCC3)C2)CC1 73197843 AMHQJYVBDKPZSA-UHFFFAOYSA-N 379.548 4.351 0 1 GIAF C[C@@H]1C[C@H](Nc2cncc(Oc3ccc(-n4cncn4)cc3)n2)CC(C)(C)C1 82068724 YONPZQKEOPCATD-CVEARBPZSA-N 378.480 4.476 0 1 GIAF O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)O)c1ccc(F)cc1 84653070 JRTRGBJQTJSXBO-UHFFFAOYSA-N 378.359 4.029 0 1 GIAF Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1C 101161785 UFMFZMDUAJJNSE-VVOJOOEHSA-N 387.476 4.443 0 1 GIAF C[C@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C(=O)[C@@H]2C1 101711711 KOTBWDRIGYCGAH-MJXNMMHHSA-N 380.419 4.004 0 1 GIAF CCOc1ccccc1[C@H]1/C(=C(\O)OC)C(C)=Nc2nc(-c3ccccc3)nn21 103542068 MBAPAQQNEWJVOZ-PMIVHWTLSA-N 390.443 4.455 0 1 GIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccccn2)C2=C(O)CC(C)(C)CC2=N1 104076655 BFAOBYWANQEMPL-YCRPNKLZSA-N 396.487 4.248 0 1 GIAF O=C(Nc1ccccc1Cl)N1CCN(Cc2cnc3ccccc3c2)CC1 137463653 AWASAUACLGSGPR-UHFFFAOYSA-N 380.879 4.238 0 1 GIAF CCN(C(=O)c1cc(COc2cccc(C(C)=O)c2)on1)[C@H](C)c1ccccn1 169304797 QYHCUXUKPBKCJX-OAHLLOKOSA-N 393.443 4.075 0 1 GIAF CC(=O)CC[C@@H]1[C@H]2[C@@H](O)[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@]12C 195370943 MZRGOEIFXVZAOF-PWSFINPFSA-N 384.516 4.270 0 1 GIAF O=C1NCCc2[nH]c(-c3cccc4ccc(-c5c(F)cccc5F)nc34)cc21 222377440 KDYCRHVPKRGNNL-UHFFFAOYSA-N 375.378 4.461 0 1 GIAF CSCC[C@@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 223685123 DHLLLERDNHJWSN-CQSZACIVSA-N 399.589 4.124 0 1 GIAF COc1cnc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)nc1 224815918 HMBMLJNQXKFGKS-UHFFFAOYSA-N 389.390 4.123 0 1 GIAF Cc1ccc(S(=O)(=O)n2nc(-c3ccccc3)nc2-c2ccccc2)cc1 225505703 PIQKQJBWSWUDGY-UHFFFAOYSA-N 375.453 4.158 0 1 GIAF CCc1ccc(OCc2cc3n(n2)[C@H](C)CN(c2ccc(F)cc2)C3=O)cc1 473104935 QHBCMUOODAYCHJ-OAHLLOKOSA-N 379.435 4.385 0 1 GIAF Brc1cnc(Br)c2[nH]c(-c3occ4c3CCC4)nc12 586904763 ASSOMBPNAAALCR-UHFFFAOYSA-N 383.043 4.232 0 1 GIAF Clc1cccnc1-c1nc2c(Br)cnc(Br)c2[nH]1 587064479 BOXTUDMTOHVIHS-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF CCS(=O)(=O)c1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c1 587171913 VMBYXZJZMRDONB-GFCCVEGCSA-N 378.494 4.391 0 1 GIAF Fc1ccc2[nH]cc(Cc3nc4cccc(I)c4[nH]3)c2c1 587175512 VACCTPOKAGKXNG-UHFFFAOYSA-N 391.187 4.379 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(I)ccc1F)O2 587386935 MSSGHQCMFGBHTP-HNNXBMFYSA-N 397.187 4.027 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4c(Br)cccc14)[C@@H](C2)C3=O 587418670 UVYUSTUTGULJCG-HXPMCKFVSA-N 384.229 4.428 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1cccc(Cl)c1)[C@@H](C2)C3=O 587421620 VHHCMLQGCOTPRT-AVRDEDQJSA-N 377.827 4.435 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2CC[C@H]1N(Cc1ccccc1)C2 587488668 RKZMOBSEBSMYCV-YJGRUCBDSA-N 377.484 4.343 0 1 GIAF COC(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587591708 HIKYKOGLBDNMKT-AUSIDOKSSA-N 390.391 4.056 0 1 GIAF COC(=O)[C@@H]1CCC(C)(C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587592752 KDCFUNPHVFUKNS-HOSQHVHZSA-N 396.439 4.092 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](c3ccnn3C)C2)N1 587759785 MURYJVXOSVKMES-VLXJIEOASA-N 392.316 4.409 0 1 GIAF COc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587806174 INLGPMKUQIENMG-MGNBDDOMSA-N 380.257 4.100 0 1 GIAF COc1cc2c(cc1OC)-c1[nH]c(=Nc3cc4ccccc4cn3)sc1C2 621429231 JGGKUKWMJHZLAP-UHFFFAOYSA-N 375.453 4.445 0 1 GIAF CC[C@H](C)Oc1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1Cl 962918631 IYXLSCPIPRHQMA-WQFAYQGZSA-N 377.843 4.345 0 1 GIAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2cccc(F)c2)c1F 1772653346 VAQBOUPNSLMFTI-MEDUHNTESA-N 394.849 4.154 0 1 GIAF COc1cccc(Cn2cnc3sc(-c4ccnc(Cl)c4)cc3c2=O)c1 1911583500 HUGJKZRIYIWAGB-UHFFFAOYSA-N 383.860 4.230 0 1 GIAF CN1CCN(C(COc2ccc(Cl)cc2)COc2ccc(Cl)cc2)CC1 2178320118 IYEPNBPQRWLMNP-UHFFFAOYSA-N 395.330 4.067 0 1 GIAF CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2C[C@H]1CCCN1CC 7991854 XHZVBWQBIQFLBX-LJQANCHMSA-N 392.551 4.498 0 1 GIAF C/C(=C\Cc1c(O)cc(C)c(C=O)c1O)CC/C=C(\C)CC[C@H](O)C(C)(C)O 13368472 WZJNPSYHERZTNW-OBAQSYOKSA-N 390.520 4.346 0 1 GIAF O=c1cc(N2CCOCC2)oc2cc(OCc3cccc4ccccc34)ccc12 13832091 YIBUSBOEZZBZIT-UHFFFAOYSA-N 387.435 4.362 0 1 GIAF O=C(O)CCCc1ccc(NC(=O)/C=C/c2c(F)c(F)c(F)c(F)c2F)cc1 26571633 OXPKAHYRARNWPJ-CMDGGOBGSA-N 399.315 4.441 0 1 GIAF COc1cccc(-n2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2C)c1 26675225 WWELSZHQUYSYNO-UHFFFAOYSA-N 375.350 4.460 0 1 GIAF CC(C)(C)CNC(=O)c1ccc2c(c1)Cc1c-2n[nH]c1-c1ccc(C(=O)O)cc1 28714077 IUNJWMVMZRHEDL-UHFFFAOYSA-N 389.455 4.122 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@H]4[C@H]3CC[C@@H]12 34801202 RIGMJQYSJWLGJZ-AANOOEFXSA-N 386.580 4.157 0 1 GIAF CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccccn3)cc1)C2 38149879 NMZKSRUUENLYFV-DEOSSOPVSA-N 399.538 4.440 0 1 GIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1nscc1NCc1ccncc1 40917820 DNCXMRGFMSYEIC-UHFFFAOYSA-N 378.379 4.421 0 1 GIAF CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C)CC3)Oc3ccccc32)cc1 40953878 CGFZALLTDMGGLZ-UHFFFAOYSA-N 390.527 4.457 0 1 GIAF CC(C)=Cc1c(C)cccc1C(=O)N[C@@]1(C(=O)O)Cc2ccc(Cl)cc2C1 43202053 KVHVXSLWWFDHJQ-QFIPXVFZSA-N 383.875 4.424 0 1 GIAF COC(=O)c1ccc2c(c1)C[C@H](c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2 49032259 OFEDNGDWONMNKH-HNNXBMFYSA-N 391.452 4.192 0 1 GIAF O=C(N[C@@H]1CCC[C@H](O)C1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 66065917 ZMKULNNAJKQJNK-NEPJUHHUSA-N 388.773 4.047 0 1 GIAF CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)CCc1ccccc1 66263846 ATJJAHFWOUNLME-FQEVSTJZSA-N 378.424 4.051 0 1 GIAF C=CC(=O)Nc1ccc2ncnc(Nc3ccc(Br)c(OC)c3)c2c1 103297826 NAXLMERECAQBQF-UHFFFAOYSA-N 399.248 4.269 0 1 GIAF COc1cc(F)ccc1Oc1ccc(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1 143208172 IDCLDFZOZFUTLI-UHFFFAOYSA-N 388.782 4.221 0 1 GIAF COc1ccccc1-n1c(O)cc(Sc2nnc(-c3cccc(C)c3)[nH]2)c1O 169689067 QXSVWSZJRZYIPT-UHFFFAOYSA-N 394.456 4.142 0 1 GIAF CN1c2ccccc2C(=O)N2CCn3c(cc4cc(Br)ccc43)[C@@H]21 221952249 BCCZJNYODPKLAH-GOSISDBHSA-N 382.261 4.008 0 1 GIAF CCc1ccnc(-c2nccn2Cc2nnc(COc3ccc(Cl)cc3)o2)c1 473094119 VUPUIHOBFRSLRL-UHFFFAOYSA-N 395.850 4.171 0 1 GIAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586907202 UZVMSFUCDLAZMD-SSDOTTSWSA-N 377.160 4.153 0 1 GIAF CC[C@H]1OCCC[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 586912857 PMNSDVQRKAEZJY-IONNQARKSA-N 389.091 4.156 0 1 GIAF FC(F)(F)c1nc2ccc(-c3nc4ccc(Br)nc4[nH]3)cc2[nH]1 587120880 YSSPGUCGNUQTIK-UHFFFAOYSA-N 382.143 4.283 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1C(=O)O)(c1ccccc1)O2 587406090 FMWIYCWXJHNTSB-DEOSSOPVSA-N 387.435 4.379 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(SCc3ccccc3)nc1)O2 587410393 SIFPCRNPGOGLSB-LJQANCHMSA-N 377.469 4.366 0 1 GIAF CCOC(=O)c1sc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2c1N 587411593 DPUAXZOQCQDNAC-INIZCTEOSA-N 396.468 4.257 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H]3CN(C(C)=O)c4cccc1c43)CC2=O 587479115 BAVLWYSRTKPJAV-MYYSRTQBSA-N 391.467 4.449 0 1 GIAF O=C(O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587547532 UAOXPNJSSVQUDM-OXJNMPFZSA-N 396.782 4.447 0 1 GIAF CCc1nn(C)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552036 MLJPDOMEHMXOKR-VQIMIIECSA-N 384.819 4.044 0 1 GIAF C=C1C=C(C)n2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc2N1 587586184 JEWBENDIVCEXIV-GHTZIAJQSA-N 387.395 4.092 0 1 GIAF Cc1cn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)nc2s1 587617740 KULUXPUYVWLQBO-JXFKEZNVSA-N 392.436 4.421 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc[nH]c2)(C(F)(F)F)N1 587711183 WJCITGVTQSOTFQ-RTHLEPHNSA-N 377.179 4.256 0 1 GIAF COc1cc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587716119 ITZDHXAHUKFWPO-NIVTXAMTSA-N 398.247 4.368 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCO)(c2ccc(F)cc2)N1 587728820 FVMCQWGUJANZGE-HXPMCKFVSA-N 396.275 4.278 0 1 GIAF CCOC(=O)C[C@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792244 BDAXPPJDLCENBC-SGTLLEGYSA-N 386.305 4.317 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(C(=O)O)N1 587825430 DFJLPCQPFQUPOD-BLVKFPJESA-N 392.268 4.035 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CC=C[C@H]2C[C@@H](C(=O)O)C1 587825837 INLVNPIKFVRUIF-SETQXRGISA-N 394.284 4.005 0 1 GIAF Cc1cc2c(o1)CCC[C@@]21N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963179169 POOCVAPDNDYAOQ-FZKQIMNGSA-N 399.796 4.439 0 1 GIAF Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 1857631807 JMDOELFZICYMDR-UHFFFAOYSA-N 377.419 4.232 0 1 GIAF Cc1c(C(=O)NN2C(=O)CS[C@@]23CCC[C@@H](C)C3)[nH]c2ccc(Cl)cc12 1911577140 GNHIYXPZHXASQT-NSPYISDASA-N 391.924 4.256 0 1 GIAF CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](OC(=O)C=Cc1ccccc1)C=C1CO[C@@H](O)[C@@H]12 2356623675 JVIVBUUWKBUORJ-PFRJGVIDSA-N 382.500 4.349 0 1 GIAF COc1ccc([C@](C)(NC(C)=O)c2nc(-c3cc(F)cc(F)c3)cs2)cc1 61928491 LRQNYYNOTGBPOB-FQEVSTJZSA-N 388.439 4.497 0 3 GIAF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccncc3)nc21 601820 YOKSFKATMBKCHB-UHFFFAOYSA-N 398.253 4.441 0 1 GIAF COc1cc(OC)c2nccc(-c3c(-c4cccc(C)n4)nn4c3CCC4)c2c1 14976350 ZCTKDDFPWGHPQF-UHFFFAOYSA-N 386.455 4.432 0 1 GIAF Cc1nn(-c2cccc(CCC(N)=O)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12 20149008 ZFGCLYUGFRNYFE-INIZCTEOSA-N 399.498 4.320 0 1 GIAF in-vivo CCN(CC)[P@](N)(=O)O[C@@H](C[C@@H]1NC(C)(C)C[C@@H](C)O1)c1ccccc1 26823623 YTSDEBSCKWKCGY-TXDZTPJHSA-N 383.473 4.046 0 1 GIAF CCN1CCCC[C@@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 28236436 RWJCXWVQRSSDLR-LJQANCHMSA-N 376.522 4.031 0 1 GIAF CCCC(=O)O[C@@H]1CCCC[C@H]1Cc1ccc(OCCNC(=O)OCC)cc1 28959481 PHHYXISIQPVOBX-AZUAARDMSA-N 391.508 4.256 0 1 GIAF CCC[C@@H](Nc1cncc(-c2ccc(NC(C)=O)c(OC)c2)n1)c1cccnc1 43080580 MFGDPKZATXMMOC-GOSISDBHSA-N 391.475 4.459 0 1 GIAF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1cc(N3CCOCC3)ccc12 61942611 VFVOMJYPBNXRLG-GCJKJVERSA-N 378.472 4.094 0 1 GIAF COc1ccccc1-c1cn2c(-c3ccc(Cl)cc3)c(CN)c(C)nc2n1 64528223 NIMUNPIVQZITIV-UHFFFAOYSA-N 378.863 4.492 0 1 GIAF CCOC(=O)c1c(OC2C[C@@H](C)C[C@H](C)C2)cc(Cc2ccccc2)[nH]c1=O 95587574 LTKIRDKUFBSJQP-HOTGVXAUSA-N 383.488 4.346 0 1 GIAF On1cc(C2CCNCC2)c(-c2cn(Cc3ccccc3)c(-c3ccccc3)n2)n1 96910962 WKMUEHICTZESCZ-UHFFFAOYSA-N 399.498 4.166 0 1 GIAF COc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)cc1 101152092 CNDOHBNSSCZYEQ-XVAYZXCPSA-N 380.488 4.464 0 1 GIAF CCCCc1ccc(Oc2ccc(CCC(N)(CO)CO)c(Cl)c2)cc1 103301129 AMHSDRSBUGTTTH-UHFFFAOYSA-N 377.912 4.090 0 1 GIAF C[C@H](c1nccc2ccccc12)N1CCC(C(=O)NCc2cccc(F)c2)CC1 169312130 NVGJOJDKMKUIJA-QGZVFWFLSA-N 391.490 4.463 0 1 GIAF COCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711107 RXMJGLCPVVEEJS-PUZFROQSSA-N 398.547 4.324 0 1 GIAF Oc1ccc(C2(c3nc4ccc(Br)c(F)c4[nH]3)CCOCC2)cc1 586911867 AHSYEDINUUGJGJ-UHFFFAOYSA-N 391.240 4.267 0 1 GIAF O=[S@](CCCc1nc2ccc(F)c(F)c2[nH]1)c1ccc(Br)cc1 586961855 YKQNYJGFVCZLCQ-HSZRJFAPSA-N 399.260 4.344 0 1 GIAF CCOc1n[nH]c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1Br 586979352 LGUMQUKWUYJTLK-UHFFFAOYSA-N 376.041 4.421 0 1 GIAF CC1=C(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[C@@H](C)N2NN=NC2=N1 587096117 GZECSTOMNZJXBO-CYBMUJFWSA-N 394.438 4.431 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(Cc4ccc(C)cc4)c1C)[C@@H](C2)C3=O 587431335 JUXDCNVMQFFKHW-CYFREDJKSA-N 388.467 4.354 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)N[C@@H](C)c1ccccc1)CC2=O 587470403 MIXLXWAVRDWTHO-WNSKOXEYSA-N 381.472 4.336 0 1 GIAF O=C1c2ccccc2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cnccc21 587516802 ZWLICDDKMRONAO-RUZDIDTESA-N 381.431 4.414 0 1 GIAF CC(=O)c1cc(N)cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587581260 VHIVNFYNXWIHPS-NFBKMPQASA-N 389.407 4.054 0 1 GIAF Cn1cc2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2n1 587581459 LGRDOJNLSSGGJM-NZQKXSOJSA-N 386.407 4.156 0 1 GIAF Cn1cc2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2n1 587581461 LGRDOJNLSSGGJM-REWPJTCUSA-N 386.407 4.156 0 1 GIAF C[C@@]1(c2cnc3cccnc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587584530 ATWLFERCHZDPOS-REWPJTCUSA-N 384.391 4.212 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccc(O)c2n1 587587635 PDDHQPFALWVENO-AUSIDOKSSA-N 385.375 4.349 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-c2ncon2)c1 587592970 ZSDBJOFYMWDFLA-NQIIRXRSSA-N 386.363 4.145 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cc(N)ccc32)N1 587744991 ITKWEAOTNMDSFW-JEOXALJRSA-N 375.285 4.285 0 1 GIAF Cc1cc(-n2cccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)no1 587757019 UCUBENQVPJUYCF-XTZNXHDOSA-N 390.256 4.299 0 1 GIAF CC[C@@]1(C2(C(=O)OC)CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587806100 JDANTKGZPHVIOW-ADLMAVQZSA-N 384.289 4.071 0 1 GIAF COc1cccc2c1OCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587836336 SSWJVKKXWOUZAC-NSPYISDASA-N 392.268 4.157 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(C(=O)OC(C)(C)C)cn1 587872321 UOSCXZYCFVPPFF-UHFFFAOYSA-N 383.423 4.427 0 1 GIAF C[C@H](N=c1[nH]c2ccccc2s1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587875824 KCBAJRHFQFCFQT-JTQLQIEISA-N 380.404 3.967 0 1 GIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)ncc2[nH]1 587926020 GBYYLQCVHDVLNR-LLVKDONJSA-N 376.254 4.280 0 1 GIAF Cc1cc2c(cc1F)[C@@](Cc1ccc(Cl)cc1)(c1c[nH]c(C(=O)O)c1)NCC2 962090465 JAVXJRDLOLXQNG-JOCHJYFZSA-N 398.865 4.446 0 1 GIAF COc1ccc(-c2c[nH]nc2[C@@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)cc1 962621714 HURLAGZXRWHTGO-FATZIPQQSA-N 393.487 4.068 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@H]2c1cccnc1NC(=O)OC(C)(C)C 963270884 RSLFEHCRCJPWQK-KRWDZBQOSA-N 389.883 4.326 0 1 GIAF COc1cc(CC(=O)c2ccc3c(c2O)C=CC(C)(C)O3)cc(OC)c1OC 1857551330 OXAMLOIUZIXLFK-UHFFFAOYSA-N 384.428 4.028 0 1 GIAF CCc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CC)C(=O)N32)s1 1857765773 PYRZRKTWNHDCON-APWZRJJASA-N 379.485 4.090 0 1 GIAF COc1ccc2nc(NC(=O)c3ccc(C(=O)c4cccnc4)cc3)sc2c1 1911578366 SVNXVLSQFKQHSG-UHFFFAOYSA-N 389.436 4.183 0 1 GIAF Cc1ccc2nc(C[C@@H]3CN(Cc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356302775 ZWWAMXXDTGRULW-RTBURBONSA-N 377.488 4.027 0 1 GIAF CC(=CCc1c(O)cc(C)c(C=O)c1O)CCC=C(C)CC[C@H](O)C(C)(C)O 2356402988 WZJNPSYHERZTNW-NRFANRHFSA-N 390.520 4.346 0 1 GIAF COc1cc(O)c2c(c1)C=CCC[C@@H]1OC(C)(C)O[C@@H]1CCC[C@@H](C)OC2=O 2356551141 SDVPEAWQLMSJHY-MDASCCDHSA-N 390.476 4.444 0 1 GIAF Cc1cc(C)c(C(=O)N[C@@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)[nH]1 12718613 DPJJCCZSJLQMNE-GOSISDBHSA-N 380.467 4.400 0 3 GIAF c1ccc2c(c1)C[C@@H]2CCCN1CCN(c2cccc3c2OCCCO3)CC1 13743698 KULSGZOFQQANMZ-FQEVSTJZSA-N 378.516 4.090 0 1 GIAF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)C(C)(C)C)cccc2-3)cc1 13862600 DTOUVORMXBNGDY-UHFFFAOYSA-N 375.428 4.281 0 1 GIAF CC(=O)OC/C=C1\CCC(=O)[C@](C)(CCC[C@H](C)C(=O)CC=C(C)C)OC1 27889925 SVHPDBCINSYMAB-OAISXNBJSA-N 378.509 4.346 0 1 GIAF Cc1ccc(Oc2nc(N)c3cnn(-c4cc(Cl)cc(Cl)c4)c3n2)cn1 27978179 QOFCCYNSGWGHOO-UHFFFAOYSA-N 387.230 4.200 0 1 GIAF C[C@@H](N)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28473279 DTALPIMAXWLLKW-MRXNPFEDSA-N 378.495 4.409 0 1 GIAF CCCCCn1c(C)c(C(=O)NCCc2ccccc2)c(=O)c2ccccc21 28864449 QUYCAQJVQKQHRN-UHFFFAOYSA-N 376.500 4.473 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 34009961 GNWBLLYJQXKPIP-NOTPXAQJSA-N 388.596 4.334 0 1 GIAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)c(C)c1)c1ccco1 35259302 ZYJMSPCXTPLJOF-MRXNPFEDSA-N 388.740 4.348 0 1 GIAF C[C@@H]1CC[C@@H](C)N1Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O 49048571 UMJOOJXWGPXRLE-HUUCEWRRSA-N 384.483 4.310 0 1 GIAF FC(F)(F)COc1ccc([C@@H]2C[C@@H]2c2nnc3c4ccccc4cnn23)cc1 49113010 DWGMSHVRETUTKL-IRXDYDNUSA-N 384.361 4.490 0 1 GIAF O[C@H](c1ccccc1)[C@H]1CN(CCc2ccccc2)CC[C@]1(O)c1ccccc1 58583405 GCIDVMBGOFFCEG-CYXNTTPDSA-N 387.523 4.172 0 1 GIAF CCNC(=O)c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)cc1 71329189 ODDNAPFVJHVOLT-UHFFFAOYSA-N 394.906 4.355 0 1 GIAF Cc1cccc(-c2nc(NCC3CC3)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 82145972 XWBPLRSAFZLYAP-IRXDYDNUSA-N 378.520 4.392 0 1 GIAF CC[C@H](Nc1ncnc2[nH]cnc12)c1cc2cccc(C)c2c(=O)n1C(C)C 88345918 BAYKVNCPHPGUFB-HNNXBMFYSA-N 376.464 4.120 0 1 GIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc(O)c(F)c3)C[C@@H]1O2 95553750 YVZIHEXHPIHHAQ-PCMMCCAGSA-N 399.462 4.163 0 1 GIAF COc1ccc(-c2cnn3c2nc(NCCCc2ncc[nH]2)c2ccccc23)cc1 96933166 YFRPNHGYCONVGG-UHFFFAOYSA-N 398.470 4.326 0 1 GIAF CCCn1c(Oc2cccc3cc[nH]c23)nc2nc(C3CCCC3)[nH]c2c1=O 117388682 CIBHPDWILQFTDJ-UHFFFAOYSA-N 377.448 4.461 0 1 GIAF COc1cccc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)c1 219746591 VMSAJLLFQIHJIZ-HSZRJFAPSA-N 389.495 4.160 0 1 GIAF Cc1ccc(-c2nc(-c3nc4nc(Br)c[nH]c-4n3)c(C)s2)cc1 587013801 YRGJUPZSOMNSGV-UHFFFAOYSA-N 386.278 4.474 0 1 GIAF CC1=C(c2ccc3nc(-c4cc5ccccc5c(Cl)n4)[nH]c3c2)NNC(=O)C1 587085915 NZIQTPOEZSSSGJ-UHFFFAOYSA-N 389.846 4.187 0 1 GIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(F)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587240243 ROLNVBRCZUHLEX-FFUDGTDTSA-N 389.471 4.257 0 1 GIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(Cl)nc3[nH]2)c(O)c1 587240261 HOIRYJMZLVFYCM-UHFFFAOYSA-N 392.846 4.474 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1cccc(F)c1)([C@H](C)CC(=O)O)CC2=O 587466771 MQKIWPJMHSPAPR-DMZKTXOQSA-N 386.419 4.455 0 1 GIAF CNC(=O)COc1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587514966 YZTICDUJPMZWNY-OAQYLSRUSA-N 393.483 4.014 0 1 GIAF C[C@H](Oc1cccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1)C(=O)O 587526590 YJJOVTDQCAIAIR-PSLXWICFSA-N 380.440 4.298 0 1 GIAF COC(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587559672 YUJKACAQPWDJEX-GHTZIAJQSA-N 394.354 4.021 0 1 GIAF COCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594244 NMLGWDNYMIUQLW-KNQAVFIVSA-N 378.380 4.078 0 1 GIAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1OC 587599337 FMQVSCZJOLPZTC-GCJKJVERSA-N 378.380 4.112 0 1 GIAF Cc1cc(C(=O)O)sc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614340 RYDAITCKVQDXCS-MAUKXSAKSA-N 382.393 4.163 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(N)c(F)c2)N1 587723910 ZCWYBENUMFTHCL-QPFGOUBPSA-N 385.227 4.246 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cccn2)(C(C)(C)C)N1 587756340 DCDUWZPGSJQKCE-KPZWWZAWSA-N 380.305 4.261 0 1 GIAF CCOc1cc([C@@H]2NCCc3ccc(O)cc32)ccc1OCc1cccnc1 963339985 DGRSDVXQBNOHTJ-QHCPKHFHSA-N 376.456 4.000 0 1 GIAF COc1ccc(F)cc1[C@@]1(C[C@H](C)CC(=O)O)NCCc2cc(Cl)ccc21 963391648 WCKBMDNRSDDXNN-ASSNKEHSSA-N 391.870 4.378 0 1 GIAF O=C1C[C@@H](O)C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O1 2356695825 XZGQELXAZMAZCD-XZOQPEGZSA-N 388.463 4.062 0 1 GIAF CC[C@@]1(c2ccccc2)C(=O)N(C(=O)OC(C)(C)C)N1C(=O)OC(C)(C)C 36386414 KVZILFRCSVJALB-HXUWFJFHSA-N 376.453 4.221 0 3 GIAF C[C@@]1(C(=O)NCc2ccc(F)c(F)c2)Cc2c(-c3ccccc3)ccnc2O1 61903785 CRTMSHJHBUSNPF-QFIPXVFZSA-N 380.394 4.037 0 3 GIAF CCCCN(C(C)=O)c1c(CC)nc2ccc(C(=O)NCc3cccs3)cn12 61926320 RDBKICDWKOGISE-UHFFFAOYSA-N 398.532 4.041 0 3 GIAF Cc1cccc2sc(NC(=O)CCCN3C(=S)NC(C)(C)C[C@H]3C)nc12 3654886 RNFPVSQFOQFUOH-CYBMUJFWSA-N 390.578 4.071 0 1 GIAF CN(C)C(=O)Oc1ccc(C(=S)Nc2ccccc2)cc1Br 6426118 WQSAFVMHZDGAHM-UHFFFAOYSA-N 379.279 4.297 0 1 GIAF CC[C@H](C(=O)NCc1ccccc1Cl)n1c(=O)c2cccn2c2ccccc21 6782388 KLYOYWNOTVZGRA-QGZVFWFLSA-N 393.874 4.175 0 1 GIAF CN1CCCc2c1cccc2N1CCN(CCCc2c[nH]c3ccccc23)CC1 13674840 MVCKFMYJPCUEDZ-UHFFFAOYSA-N 388.559 4.305 0 1 GIAF CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Cl)cn2)c1Cl 13759861 NIINQTIUVDCATJ-UHFFFAOYSA-N 388.295 4.455 0 1 GIAF CCCCCc1cc(OC(=O)c2c(C)cc(OC)cc2O)cc(O)c1C(=O)O 14718408 RNPRBFCBYMVJFH-UHFFFAOYSA-N 388.416 4.065 0 1 GIAF biogenic Cc1c(C(=O)N(C)Cc2ccon2)sc2ncnc(N3CCCCCCC3)c12 14994764 ZIHHWACPBXXTJB-UHFFFAOYSA-N 399.520 4.030 0 1 GIAF Cc1nc(/C=C/[C@@H]2C/C=C\CCC[C@@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O2)cs1 40862722 OAXHQZGPHDPLOS-SSUHLSFMSA-N 391.533 4.099 0 1 GIAF O=C(Nc1cccc(Cl)c1)c1ccnc(N2CCC(N3CCCC3)CC2)c1 49037253 SBLDKEVWOLSNSY-UHFFFAOYSA-N 384.911 4.052 0 1 GIAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C21CCCC1 72110025 IKRZCJRNSLITFG-UHFFFAOYSA-N 378.447 4.457 0 1 GIAF CCOC(=O)C1=C(NC2CCCCC2)C(=O)N(c2ccc(Cl)c(Cl)c2)C1 84710058 RMCQSLVTINXHKH-UHFFFAOYSA-N 397.302 4.080 0 1 GIAF CC(C)n1nc(Cn2nc3ccccc3c2OCCCCO)c2ccccc21 95587455 PLKURWBWZXSBCF-UHFFFAOYSA-N 378.476 4.167 0 1 GIAF O=c1cc(N2CCCCC2)oc2c(-c3cc(-c4cncnc4)ccn3)cccc12 100077983 KSJITUCEMODYOV-UHFFFAOYSA-N 384.439 4.302 0 1 GIAF O=C(O)CCCCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144800647 JZDVRRMEAJFQCB-IBGZPJMESA-N 380.362 4.489 0 1 GIAF COc1ccc([C@H]2CC3(N(C)C)C[C@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1 169366845 ZKWMIFWZIBHEBK-VOZKMPIISA-N 381.516 4.046 0 1 GIAF C[C@@]1(C(=O)O)CCN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 253918618 WVFQWSQTENHWCH-GPUOULLFSA-N 375.512 4.420 0 1 GIAF O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1cc(F)c(O)c(F)c1 253975493 OEYAQRURWGXHJN-GASCZTMLSA-N 375.415 4.286 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 586918440 YZTBWOUPTWRGFA-ZMZPIMSZSA-N 376.243 4.481 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 586950538 IQYWYTCZKGWZGP-UHFFFAOYSA-N 393.468 4.180 0 1 GIAF CC(=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 586999702 HCDOBNIPWVWLKP-UHFFFAOYSA-N 399.200 4.007 0 1 GIAF COc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1C 587019342 XMAJJIGPQPWDEC-UHFFFAOYSA-N 393.468 4.365 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(O)cc3[nH]2)c1 587050541 OXCPMQFBKCCTNW-HJWRWDBZSA-N 398.850 4.312 0 1 GIAF O=C(O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587116576 HZQKTHVRTJZCIJ-UHFFFAOYSA-N 398.772 4.250 0 1 GIAF Cc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1C 587117120 ABXVIRLTQBIJMC-UHFFFAOYSA-N 387.203 4.400 0 1 GIAF COC(=O)c1ccnc2[nH]c(-c3ccc(-c4ccc(OC)cc4F)cc3F)nc12 587153221 XAPCGJNODMBUDR-UHFFFAOYSA-N 395.365 4.365 0 1 GIAF Cc1cc(Br)c2[nH]c([C@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c1 587172842 MTHUSADHESTXBK-SFHVURJKSA-N 389.224 4.401 0 1 GIAF COC(=O)c1ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2n1 587246599 CUEBZGISVHUILB-UHFFFAOYSA-N 388.427 4.159 0 1 GIAF CC1(C)Cc2nc[nH]c2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587344396 GSAATVIYPFZYFR-CVDCTZTESA-N 392.430 4.481 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCCN(C(=O)OCc3ccccc3)C1)O2 587393096 FZQQTOBLPHBFSF-QHCPKHFHSA-N 394.471 4.104 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OC)cc1F)[C@@H](C2)C3=O 587424842 WBLQOYQFSLYICY-VOJFVSQTSA-N 393.208 4.094 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1cccnc1Cl)CC2=O 587463661 ZHHLYVSTAVSKDK-JQZHBYGZSA-N 386.879 4.329 0 1 GIAF C[C@]1(c2ncc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567379 HJDXOICTSPADAU-JXFKEZNVSA-N 385.778 4.457 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ncon2)cc1 587587402 GOAUCHNZDLERLY-NQIIRXRSSA-N 386.363 4.145 0 1 GIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)NCCc1ccccc1 587623112 LEFSPSQKVSOZPV-UHFFFAOYSA-N 397.276 4.088 0 1 GIAF Cc1cc(-n2cccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 587754730 MHTAIISHVZYHES-XTZNXHDOSA-N 390.256 4.299 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CCC(=O)[C@@]3(C)CC2)N1 587818642 RQMNGIJQFSMMBH-BKOMCJNNSA-N 378.285 4.407 0 1 GIAF CCSc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C 587848044 WCUHSENEKJLACO-RFAUZJTJSA-N 384.318 4.057 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)N1CCCC1 587866803 PWQPKLYHZSOOFZ-ZDUSSCGKSA-N 381.398 4.092 0 1 GIAF O=C(c1cc(Br)ccc1O)n1nc2cc1Oc1ccc(F)cc1-2 587871779 BMIQPQLLAHAYEU-UHFFFAOYSA-N 375.153 3.952 0 1 GIAF C[C@H](CN1C(=O)c2ccccc2[C@@H]1C(=O)NCC(F)F)c1ccc(Cl)cc1 653724618 PYWJHYZHNABKNX-KZULUSFZSA-N 392.833 4.022 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@H](c2ccc(O)c(C(F)(F)F)c2)N1)C(F)(F)F 962731448 SBHZHENPSWSARQ-ZFWWWQNUSA-N 389.295 4.146 0 1 GIAF Cc1ccnc2c1CCN[C@@]2(C)CC[C@](F)(Cl)C(F)(F)Br 963077128 VIAZSHHXLNUIMZ-QWHCGFSZSA-N 385.655 4.423 0 1 GIAF Cc1cc2c(cc1O)[C@@](c1c(C)cccc1Cl)(C(F)(F)F)N[C@H](C(=O)O)C2 963469806 KKVIGZWQHTVYIK-KBXCAEBGSA-N 399.796 4.067 0 1 GIAF CCn1nccc1[C@]1(C)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816479 CDTGDMLVMKEABS-DEOSSOPVSA-N 386.499 4.373 0 1 GIAF CSc1ccc(C[C@@]2(O)c3c(Cl)ccc(Cl)c3C3=NCCN32)cc1 1857539510 IASZAVSESWHCPT-GOSISDBHSA-N 379.312 4.179 0 1 GIAF CC(C)Cc1ccc([C@@H](C)C(=O)NCCOc2ccc3ccc(=O)oc3c2)cc1 1857628705 XPVSTWDEGVQKPN-QGZVFWFLSA-N 393.483 4.290 0 1 GIAF COCc1cccc(-c2csc([C@](C)(NC(C)=O)c3ccc(OC)cc3)n2)c1 61897169 IIHNVFIQGTWDTI-JOCHJYFZSA-N 396.512 4.365 0 3 GIAF COc1cc(Br)c(C2OCCCO2)cc1OCc1ccccc1 1614415 VWFRTUVWZBXUBN-UHFFFAOYSA-N 379.250 4.472 0 1 GIAF COc1cc([C@H]2c3cc(OC)c(O)c(OC)c3C=C(C)[C@H]2C)cc(OC)c1O 14435369 FTMPPAUMNSIYCL-BLVKFPJESA-N 386.444 4.317 0 1 GIAF biogenic CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1 26399659 ZNHIIHXSCSHKKJ-HNNXBMFYSA-N 388.903 4.233 0 1 GIAF CSc1nc(Nc2cccc(I)c2)c2cccnc2n1 27656513 YELUDAFZTNZJGL-UHFFFAOYSA-N 394.241 4.095 0 1 GIAF Nc1nc2nc(SCc3cccc(Oc4ccccc4)c3)[nH]c(=O)c2s1 28568586 WWCYRNGIGMOHBZ-UHFFFAOYSA-N 382.470 4.046 0 1 GIAF Cn1ccc2cc(C(=O)N3CCc4c(cnn4-c4ccccc4Cl)C3)ccc21 28708548 WIFUHULJKFTEQG-UHFFFAOYSA-N 390.874 4.216 0 1 GIAF CCOCCOCCOCCCCCCC(=O)NC12CC3CC(CC(C3)C1)C2 28712054 CXVKUFRDNMGSNG-UHFFFAOYSA-N 395.584 4.092 0 1 GIAF CC1(C)CC[C@H]2Nc3ccnn3[C@H](c3ccc(F)c(Br)c3)[C@@H]2C1=O 29309769 MJPBFWJRPNCFTK-FVQBIDKESA-N 392.272 4.174 0 1 GIAF C[C@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NC3CCC3)cc2)cc1 43013474 VRMVSYUYAWQPOU-SFHVURJKSA-N 398.572 4.211 0 1 GIAF CCn1c(C(=O)O)cc2ccc(OCCN(C)c3nc4ccccc4s3)cc21 71418516 IVTGLQRBEBWPJP-UHFFFAOYSA-N 395.484 4.484 0 1 GIAF CCC(=O)CC[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 72284190 LQAZFVMOZRHSGL-OAHLLOKOSA-N 395.455 4.128 0 1 GIAF CCOc1cc(CCNc2cncc(Oc3ccccc3OC)n2)ccc1OC 82068671 MIVAJZFZIPNRPM-UHFFFAOYSA-N 395.459 4.339 0 1 GIAF CCCc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1C[C@H]1CCCO1 82188742 GKHUDCLHABDYGC-FUHWJXTLSA-N 379.508 4.173 0 1 GIAF COc1ncccc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1 117438037 QQYBNPCNVNQSRK-UHFFFAOYSA-N 377.423 4.012 0 1 GIAF NCCc1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1F 165187518 QMRFGMVXJHRSHA-UHFFFAOYSA-N 388.851 4.409 0 1 GIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]43C)[C@@H]1CC[C@H]2[C@@H](C)O 299847822 GMLYBWDTQYGRCD-XUHZXIQYSA-N 376.537 4.138 0 1 GIAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 586888982 KWZZPDZTJXMMNV-ZBEGNZNMSA-N 398.406 4.002 0 1 GIAF Cc1cc(Br)ccc1OCc1nc2cc(Br)ncc2[nH]1 586981270 NNDZIXNWKSANLP-UHFFFAOYSA-N 397.070 4.370 0 1 GIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cncc(OC)c2[nH]1 587034732 KIGLMXXFWFQKKK-ZDUSSCGKSA-N 380.473 4.452 0 1 GIAF COc1ccc2nc(-c3nc4c(Br)ncc(F)c4[nH]3)sc2c1 587035254 OTNKUXNGHYVMNF-UHFFFAOYSA-N 379.214 4.145 0 1 GIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2ncc(Cl)c(Cl)c2[nH]1 587039163 QOGJGAIAVBPDRZ-UHFFFAOYSA-N 387.252 4.130 0 1 GIAF C[C@@H](c1nc2nc(Cl)c[nH]c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F 587130637 WQPOSLKVIGYBIF-VKHMYHEASA-N 383.136 4.292 0 1 GIAF Nc1ccc(-c2ccc3nc(-c4ncc(Br)cc4F)[nH]c3c2)cc1N 587157457 MHHWHRQPGKCFHF-UHFFFAOYSA-N 398.239 4.358 0 1 GIAF COc1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587171667 UEKCHFKADBQNOO-UHFFFAOYSA-N 397.431 4.178 0 1 GIAF CC(C)[C@]1(c2nccn2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340969 IMIUJXSXYBQHSZ-UGKGYDQZSA-N 380.419 4.175 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(OC)nc4)s1)[C@@H](C2)C3=O 587452696 SUWLWMKTITVJIY-QKKBWIMNSA-N 379.437 4.316 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(-c3cccc(OC)c3)c1)CC2=O 587474671 GAHGUXTVRINOSI-QHCPKHFHSA-N 392.455 4.420 0 1 GIAF Cn1ccnc1[C@@]1(c2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587500816 DFAKZQMFWDBVHS-QHCPKHFHSA-N 376.431 4.347 0 1 GIAF CCCSc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587615204 XAKFZMMGGYGLSU-FXAWDEMLSA-N 394.452 4.387 0 1 GIAF CCOC(=O)[C@]1(CC(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792157 APCBKQZFDGLQAQ-BBATYDOGSA-N 386.305 4.317 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CCC(=O)O)c2)N1 587827264 KDFOHNZEBJHVAR-WLRWDXFRSA-N 392.268 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(CN(C)C)cs2)N1 587844927 CPJLNYTVQLZDRI-DYZYQPBXSA-N 383.330 4.335 0 1 GIAF COC(=O)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587846813 IFTFFDXISKQSPE-VVVCHXIZSA-N 398.297 4.234 0 1 GIAF CCC1([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)CCOCC1 963181276 MRMYSJILJFSNCP-CABCVRRESA-N 391.817 4.206 0 1 GIAF O=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCc1nc2ccccc2[nH]1 1857552280 YDKBJYNNRYRVSJ-ZHACJKMWSA-N 393.450 4.436 0 1 GIAF CO[C@@H](c1[nH]c(=NC2CCCC2)nc(O)c1C)c1c(Cl)cccc1Cl 1857559682 ODJJJFMIFIOSBO-MRXNPFEDSA-N 382.291 4.310 0 1 GIAF O=S(=O)(c1ccccc1)N1Cc2cccc(C3CCN(C4CCC4)CC3)c2C1 1857599192 XMKVSBVTGBNIHZ-UHFFFAOYSA-N 396.556 4.123 0 1 GIAF Cc1c(C(=O)NN2C(=O)CS[C@@]23CCCC[C@H]3C)[nH]c2ccc(Cl)cc12 1911575806 FCBSKUHIWDNKTA-NSPYISDASA-N 391.924 4.256 0 1 GIAF CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@@H](CN3CCC(CO)CC3)C=C2C)o1 2356300270 DMVPGXOGNGSCGU-HBMCJLEFSA-N 389.584 4.124 0 1 GIAF CC(=O)O[C@@]1(C(C)=O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2O)C1 2356320384 CQNXXURIGGLIOE-BLACJIEISA-N 376.537 4.281 0 1 GIAF CCCCCn1c(O)c(C(=O)Nc2nc3ccccc3[nH]2)c(=O)c2ccccc21 13284529 XWKYYDFOAHIUTP-UHFFFAOYSA-N 390.443 4.026 0 1 GIAF CCCCCCn1cc2c3c(cccc31)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CC2 28966127 MVPSDKPPZLPMBB-CVDCTZTESA-N 399.579 4.106 0 1 GIAF O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2cccnc2)O1 29413701 CPFXMGGSQKZGCE-LRPXVYOUSA-N 394.254 4.047 0 1 GIAF COc1cccc(Cn2cc(C(=O)Cc3ccc(Cl)cc3Cl)nn2)c1 72126054 NKESAELUKVSMID-UHFFFAOYSA-N 376.243 4.067 0 1 GIAF COc1cc(Nc2cc3c(cn2)nc(-c2ccccc2)n3C)cc(OC)c1OC 82082955 WNOKVBOVIJFMHS-UHFFFAOYSA-N 390.443 4.405 0 1 GIAF C[C@H]1C/C=C/C[C@@H](c2ccccc2)NC(=O)[C@H](C)N(C)C(=O)c2ccccc2O1 95662837 AFJZYKXXKFYJLB-MFWRJKAYSA-N 392.499 4.122 0 1 GIAF CCCS(=O)(=O)Nc1ccc(F)c(NCc2cnc3ccccc3c2)c1F 113489204 NUUOTAFNMNIBRB-UHFFFAOYSA-N 391.443 4.277 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1cnc2ccccc2c1 166824573 JLVSTKJHYYRFLD-HNAYVOBHSA-N 376.456 4.362 0 1 GIAF COc1nc(NCCc2ccc(F)cc2)nc(-c2cc3c(Cl)cccc3[nH]2)n1 206745779 XQMWDOUPZZOCFK-UHFFFAOYSA-N 397.841 4.476 0 1 GIAF CCOc1ccccc1Cc1c(OC(C)C)nn(-c2ncc(CC)cn2)c1C 299862210 JIZWJTBMYZWREF-UHFFFAOYSA-N 380.492 4.310 0 1 GIAF O=C1c2ccccc2C(=O)N1CCCCCCCNCc1ccc(F)cc1F 299866057 VCMCOZQOXDBOJF-UHFFFAOYSA-N 386.442 4.301 0 1 GIAF COc1ccc2cc3n(cc-2c1=NCC(C)C)CCc1cc2c(cc1-3)OCO2 377840036 LOFORVTYXWSUNI-UHFFFAOYSA-N 376.456 4.110 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 586915608 GCXHVAAWBKJMHN-VOJFVSQTSA-N 376.243 4.481 0 1 GIAF CCCn1cnc2cc(-c3nc4cnc(Cl)[nH]c-4n3)cc(Br)c21 587004633 WQBCXECOUGXRKN-UHFFFAOYSA-N 391.660 4.147 0 1 GIAF Clc1ncc(-c2nc3c(Br)cnc(Br)c3[nH]2)s1 587023864 VTDZUECPIIJQMC-UHFFFAOYSA-N 394.479 4.260 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3c(C)ccc(C)c3[nH]2)cc1 587044005 XDTYAUZIZDRTBT-QGZVFWFLSA-N 381.501 4.466 0 1 GIAF Fc1ccc(Oc2ccc(-c3nc4cnncc4[nH]3)cn2)c(Br)c1 587161061 LSAYIOYIPNLOTM-UHFFFAOYSA-N 386.184 4.109 0 1 GIAF COc1ccc(-c2nc3cc(C)c(F)cc3[nH]2)c(I)c1 587179754 FNGIMNPHPWRWQR-UHFFFAOYSA-N 382.176 4.291 0 1 GIAF COC(=O)c1cccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 587191516 VMNAMUHCLHZPPL-GOSISDBHSA-N 395.459 4.306 0 1 GIAF CN(C)/C=C1/C[C@H](NC(=O)OC(C)(C)C)Cc2c1nc1cccc3c1c2CC3 587211780 WSARYNGOCUIUDA-KGAUPUERSA-N 379.504 4.075 0 1 GIAF O=C(NCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)OCc1ccccc1 587228551 SJGRGZGWPYEYEK-UHFFFAOYSA-N 381.329 4.190 0 1 GIAF Cc1ccc([C@]2([C@H](C)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587350540 GWKASFPDQNWAKI-PPYUERFYSA-N 392.426 4.475 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(OC(F)(F)F)ccc1OC)[C@@H](C2)C3=O 587419472 CGBKDLDMKZPSGX-UGSOOPFHSA-N 380.318 4.091 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(N(C)C)cc1)[C@@H](C2)C3=O 587431202 ZNXUXIYXOCPUOU-SQJMNOBHSA-N 385.463 4.452 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cncc(Br)c1)CC2=O 587458518 KHVSFMFPFDLGBE-SFHVURJKSA-N 376.250 4.383 0 1 GIAF O=C1C[C@@]2(CN(Cc3ccccc3)C(=O)C23CC3)Oc2c1ccc1c2CCCC1 587517193 IUBUXRFBYNJDGE-VWLOTQADSA-N 387.479 4.092 0 1 GIAF C[C@@H]1CCCN(CC(C)(C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587581672 ITDZYWSVVQIFQB-NIJIEXERSA-N 395.499 4.481 0 1 GIAF C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587650852 FYVHSHGDLNTRBB-SECBINFHSA-N 397.645 4.464 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C(=O)O)C(C)(C)C2)N1 587825190 GJEASGVMHLCINF-GDAOTKPNSA-N 384.289 4.229 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccccc2O)N1 587830227 CCNPHISUHWGPML-WYRIXSBYSA-N 392.268 4.316 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)n1cc(Cl)cn1 587861288 QYEBSUDYAKGGOP-JTQLQIEISA-N 398.772 4.329 0 1 GIAF COc1cccc(-c2cc(O)cc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c2)c1 587933836 WKGVJLIUHFUWLS-UHFFFAOYSA-N 378.359 4.448 0 1 GIAF COc1ccc(-c2c[nH]nc2[C@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)cc1 962621722 HURLAGZXRWHTGO-LFVRLGFBSA-N 393.487 4.068 0 1 GIAF O=C(O)[C@@]1(c2cc(Cl)ccc2Cl)c2c(F)cccc2C[C@H]2CCCN21 963098700 JAWBUFMJZDWYPD-BFUOFWGJSA-N 380.246 4.481 0 1 GIAF CCOC(=O)CC[C@]1(Cc2ccccc2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963607777 KGQQSMADORILPS-BXKMTCNYSA-N 397.515 4.019 0 1 GIAF C[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=S)Nc1ccc(F)cc1 1857550690 YYXAXADDKHQTMN-CQSZACIVSA-N 397.475 4.115 0 1 GIAF C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(NC(=O)c3cccc(Cl)c3)(C1)C2 1911571119 ORFXTXYARYWSKK-ZJDGCUJOSA-N 386.854 4.406 0 1 GIAF CCCCn1nnnc1[C@@H](c1cc2ccccc2o1)N(C)Cc1ccccc1 95570800 NBSRSMPSFBUOCU-OAQYLSRUSA-N 375.476 4.441 0 3 GIAF Cc1nn(CCCC(=O)N2C[C@@H](C)C[C@H](C)C2)c(=O)c2c1sc1ccccc12 6799390 HJCOJGFQNMDDHB-GJZGRUSLSA-N 397.544 4.204 0 1 GIAF C[C@H]1C(=O)c2ccc(O)cc2O[C@@H]1c1ccc(OCCN2CCCCC2)cc1 12353835 LSKIAVDUXFFGTG-HJPURHCSSA-N 381.472 4.209 0 1 GIAF CCCCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccsc3)N2C1=O 13527912 ONHWNHRHBYIPEI-IEBWSBKVSA-N 379.485 4.308 0 1 GIAF CSc1sc(C(=N)N)cc1-c1csc(Nc2ccc3c(c2)OCO3)n1 28008236 DTCAUEXDOPXMBP-UHFFFAOYSA-N 390.515 4.350 0 1 GIAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1C)c1ccco1 35259301 MHIAGUHFKHVXBP-INIZCTEOSA-N 388.740 4.348 0 1 GIAF COc1cccc(OC)c1OC(=O)C=C1c2ccccc2C(=O)c2ccccc21 40845213 SYMYXAGCXXSLBP-UHFFFAOYSA-N 386.403 4.286 0 1 GIAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1nscc1NCc1ccncc1 40914639 CKMJCWOLHVFHHW-UHFFFAOYSA-N 394.378 4.301 0 1 GIAF O=c1cc(NCCCNCc2ccc(C(F)(F)F)s2)[nH]c2ccccc12 45230025 FOHXHFUAJDNQSD-UHFFFAOYSA-N 381.423 4.200 0 1 GIAF NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 49071504 KOUKIXMZFKLIHI-HSZRJFAPSA-N 397.526 4.496 0 1 GIAF COc1cc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)cc(OC)c1 64231970 XGMFPQAJCSHMFX-IBGZPJMESA-N 398.459 4.009 0 1 GIAF CC(=O)c1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1 64512393 KKHBSFNZKDSOPW-UHFFFAOYSA-N 395.846 4.397 0 1 GIAF COc1cc(/N=c2\[nH]ccc3[nH]c(-c4ccc(C)cc4)nc23)cc(OC)c1OC 82082492 KNRIBMQVZOZLEL-UHFFFAOYSA-N 390.443 4.125 0 1 GIAF CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccccc3)n2)CC1 82133327 PIAGNMKYDROBQY-KDURUIRLSA-N 392.547 4.498 0 1 GIAF COC(=O)C(C)(C)[C@H](c1ccc(Nc2ccc(OC)cc2)cc1)n1ccnc1 95563904 GJBWPNJVLXAJOM-FQEVSTJZSA-N 379.460 4.424 0 1 GIAF COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NC2CCCCC2)cc1 96286192 ZLRZNGZTDMERMQ-BZZOAKBMSA-N 392.455 4.442 0 1 GIAF O=C1OC[C@H](c2ccc(C3CCC(O)CC3)cc2)N1c1ccc2[nH]cnc2c1 116196105 UHIWZRXMRYDNOR-ZYKWQNGHSA-N 377.444 4.279 0 1 GIAF C[C@@H]1C(=O)CC[C@H]2[C@]1(C)[C@@H](O)C[C@@H](C)[C@@]2(C)COc1ccc2ccc(=O)oc2c1 257636608 XYUJBOZUFFMPGO-DXCJIXJCSA-N 398.499 4.200 0 1 GIAF endogenous,in-man C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@H]1C[C@@H](O)[C@@H]2O 299873050 GDUPBUZZJUIEDX-IJEZIDCYSA-N 378.512 4.453 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cc(C)cc(C)c2[nH]1)c1ccc(Br)cc1 586984566 GVRGGVVFWMPTIJ-INIZCTEOSA-N 386.293 4.362 0 1 GIAF Cc1cc(Br)c2[nH]c([C@H](O)c3ccc(Br)cc3)nc2c1 586996505 GOXWKKYCGLOMBV-CQSZACIVSA-N 396.082 4.478 0 1 GIAF Clc1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2n1 587018733 MXNLFSBOUCBNDE-UHFFFAOYSA-N 384.848 4.097 0 1 GIAF O=S(=O)(O)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587076666 LFVKNLKEQLTBRQ-UHFFFAOYSA-N 385.832 4.192 0 1 GIAF Nc1ccc(-c2ccc3nc(-c4ccnc(OCC(F)(F)F)c4)[nH]c3c2)cc1N 587091748 OMDVSEDPYGWZCN-UHFFFAOYSA-N 399.376 4.397 0 1 GIAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2c(S)nc(S)nc2[nH]1 587247889 WTIPSHMNJPYDAM-UHFFFAOYSA-N 395.513 4.345 0 1 GIAF Nc1ccc2c(c1)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336676 NZYQHMJQPMGZRC-GMAHTHKFSA-N 375.399 4.314 0 1 GIAF COc1cc(F)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587381855 MFDCAUVYPVECFH-OAHLLOKOSA-N 380.213 4.194 0 1 GIAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCCCC1 587401176 TUUWXIYICQCUGM-XMMPIXPASA-N 394.515 4.452 0 1 GIAF COC(=O)[C@@H](C)[C@@]1(c2cccc(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587524293 LKRGCSYUPWIHAI-OYLFLEFRSA-N 394.467 4.244 0 1 GIAF O=C(Cc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656798 PETKJKFWURSSQH-UHFFFAOYSA-N 376.362 4.225 0 1 GIAF COc1cc2c(cc1F)[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587727474 CVFIKVUZYKYZAG-APBUJDDRSA-N 394.259 4.460 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)c2ccc(F)cc2)N1 587730775 KQTUOSJKNWFYSS-YPMLDQLKSA-N 380.232 4.360 0 1 GIAF COc1ccc2c(c1F)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587738143 KIQJSELCWWGFII-DGIBIBHMSA-N 394.259 4.460 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cncnc2)N1 587779432 SINUFXKMNYZGAW-RNODOKPDSA-N 398.279 4.204 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)c1ccccc1N[C@@H]2C 587791657 GWWMQCHNGBADQA-BFKGZMGPSA-N 389.268 4.015 0 1 GIAF C=C1C=C(C)n2ncc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2N1 587796141 PJQLMTFIAYGZBG-DYZYQPBXSA-N 389.272 4.208 0 1 GIAF COC(=O)[C@H]1CC[C@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587807013 KOLRXOCNWBQLKU-VFFPBDHRSA-N 384.289 4.143 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](O)c3ccccc32)N1 587835436 WLFYIMJANGWPNI-XNPNBVRTSA-N 376.269 4.193 0 1 GIAF COc1ccccc1OCCNCCOC(c1ccccc1)c1ccccc1 1857567538 AWLOZWRUIWUAKF-UHFFFAOYSA-N 377.484 4.470 0 1 GIAF Cc1nc(C(=O)Nc2ccccc2)sc1[C@]1(C)CC(c2cccnc2)=NO1 13478224 OXHBMLFQCWUEOT-FQEVSTJZSA-N 378.457 4.139 0 3 GIAF COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cnc(C=O)n32)c1OC 13441511 DEEHOAGFANXKQZ-UHFFFAOYSA-N 396.834 4.418 0 1 GIAF N[C@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@@H]1c1ccc(Cl)cc1Cl 14958718 XNMANXSJGMEZSD-ZBFHGGJFSA-N 391.327 4.443 0 1 GIAF CC[C@H](C)N(C[C@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC 27655206 YNGZJSALRCLELM-JSJNYSNDSA-N 380.960 4.091 0 1 GIAF CC[C@@H]1[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CCC2)[C@@H](O5)C(=O)C1(C)C 27746556 HGCNZOPXONAAQN-GMCONJOTSA-N 395.543 4.073 0 1 GIAF COc1ccc(C(=O)N/C(C(=O)N2CCCCC2)=C(\Cl)c2ccccc2)cc1 38148935 RLJHHJUZMDZDJC-VXPUYCOJSA-N 398.890 4.045 0 1 GIAF O=C(O)c1cccc(-c2noc(C(=O)CCCCCCc3ccccc3)n2)n1 40881452 KCASPDHFMVGZIB-UHFFFAOYSA-N 379.416 4.206 0 1 GIAF Cc1ccc(C2=NN(C(N)=S)[C@H](c3ccccc3Br)C2)cc1C 53298702 VGQBMUAWNKHSJS-KRWDZBQOSA-N 388.334 4.461 0 1 GIAF COc1ccc(CNc2ncnc3nc(-c4ccc(Cl)cc4)n(C)c23)cc1 58603235 KMIZYZWHEFZXJC-UHFFFAOYSA-N 379.851 4.304 0 1 GIAF COc1ccc([C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]3N2Cc2ccccc2)cc1OC 96929574 PBSSDXVPVMQJOQ-HKBOAZHASA-N 394.515 4.078 0 1 GIAF CC(=O)Oc1ccc(OC(C)=O)c2cc(CCCNc3cccnc3)ccc12 103271864 CHKFQKBUUFPEOS-UHFFFAOYSA-N 378.428 4.130 0 1 GIAF COc1cc(-c2cnc3ccc(NCc4cccc(Cl)c4)nn23)ccc1O 115120242 YEVOKDCYAMXGAP-UHFFFAOYSA-N 380.835 4.376 0 1 GIAF O=c1c2cn[nH]c2c2cc(Cl)c(-c3ccncc3)cc2n1CC(F)(F)F 205055433 MWJFAIIHVVGUGU-UHFFFAOYSA-N 378.741 4.156 0 1 GIAF C[C@@H]1CCCN(C(=O)CSC[C@@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)C1 299869991 GOCKZFNRKPOAGC-KPFFTGBYSA-N 395.012 4.367 0 1 GIAF in-vivo COc1ccc2c([C@@H]3CCc4ccc(Br)cc43)ncnc2c1OC 474609649 RYUWLGDIHZMPLI-CYBMUJFWSA-N 385.261 4.488 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc(CSCc3ccsc3)nc-2[nH]1 587026319 KYSBGMZXXNMTNH-UHFFFAOYSA-N 383.502 4.117 0 1 GIAF CNc1cc(Cl)ccc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587066465 BWWXHOLJDIQHHJ-UHFFFAOYSA-N 389.786 4.219 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 587234268 YQSQKVIPNXYDIV-WCQYABFASA-N 393.871 4.164 0 1 GIAF Nc1c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)ccc2ccccc12 587254895 XSRQQMHDRVAZTQ-UHFFFAOYSA-N 391.374 4.259 0 1 GIAF O=C(c1c(CO)oc2cc(Br)cnc12)C1(c2ccc(F)cc2)CC1 587276524 RPRXQDQKFYUGER-UHFFFAOYSA-N 390.208 4.136 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Br)n1)CC2=O 587460120 RQPUOMADWAFWMW-INIZCTEOSA-N 392.249 4.217 0 1 GIAF C[C@]1(c2ccc(N(CC(=O)O)N=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511566 LRXKKGHJRRVVOA-JOCHJYFZSA-N 394.427 4.018 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCCC2)s1 587615057 VGDOBLSWNGWNOE-PXNSSMCTSA-N 394.452 4.152 0 1 GIAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1F 587718645 NTEKWPLVEAOCLL-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF Cc1cc(C(=O)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587720121 RFCVTXZOTFIMEC-BTDLBPIBSA-N 380.232 4.494 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]c3nccc-3cc2F)N1 587728864 UCHZVDHUKRLZLC-VXJOIVPMSA-N 378.220 4.179 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc[nH]n3)o2)N1 587795224 NRTZGNCJVREAEM-XYZCENFISA-N 376.229 4.195 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587800842 ZYGWNYCHXNGOFR-AEDCBLDQSA-N 384.289 4.071 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2scc3c2OCCO3)N1 587854362 TUYBPBJQZMWWLR-HUTHGQBESA-N 398.297 4.219 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C1CCN(C)CC1 587858880 COAKIPVKGCZVSA-UHFFFAOYSA-N 382.291 4.238 0 1 GIAF COc1cc(O)cc(-c2cccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2)c1 587932181 PDNCCCNBKZDPNW-UHFFFAOYSA-N 378.359 4.448 0 1 GIAF CN(C)S(=O)(=O)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587962075 QLPUFFVNCWNLRH-UHFFFAOYSA-N 391.496 4.071 0 1 GIAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@H](c2csc3c2CCCC3)N1 962627684 HJVOZURMRZBENV-DYVFJYSZSA-N 397.418 4.214 0 1 GIAF CC(C)CCOC(=O)[C@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962639295 PYQNLRVCBVGIQR-RDGATRHJSA-N 392.543 4.238 0 1 GIAF CC(=O)[C@@H](Sc1ncccn1)[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962670089 UQAYXOLJBQFXTN-GGAORHGYSA-N 389.524 4.254 0 1 GIAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCC[C@@H]1Cc1ccc(Cl)cc1)NCC2 962926716 UIBWJTXRAYBTMH-XXBNENTESA-N 382.935 4.426 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cccc(OCc2ccccn2)c1 963635704 NVCCTSLMUDNOBO-GYCJOSAFSA-N 390.483 4.301 0 1 GIAF CC[C@@]1(c2ccc3c(c2)cc(O)n3C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963638581 UHCZNBDORKMVFK-PSLXWICFSA-N 380.488 4.089 0 1 GIAF Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2CC1(C(F)(F)F)CC1 1772633973 QUACYGKHEFHFCO-UHFFFAOYSA-N 383.761 4.197 0 1 GIAF Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccc(C(F)(F)F)o3)ccc12 1857547019 NWKATMHVWXXEAC-UHFFFAOYSA-N 396.317 4.228 0 1 GIAF Cc1cccc(/C=C/[C@H]2CS(=O)(=O)Oc3c2c(C)nn3-c2ccccc2)c1 1857549309 JGARFMVZWNPCBX-DXRVJIQQSA-N 380.469 4.008 0 1 GIAF CN(Cc1ccc2nsnc2c1)c1nc(-c2cccnc2)nc2ccccc12 1857551816 JCJKHVGXFPLXMA-UHFFFAOYSA-N 384.468 4.333 0 1 GIAF CS(=O)(=O)Nc1cccc(-c2cn3c(-c4ccc(Cl)cc4)cnc3cn2)c1 1857586427 KGSXNBUCIQXZAI-UHFFFAOYSA-N 398.875 4.088 0 1 GIAF COc1cc(-c2nn(Cc3ccc(F)cc3)c3ncccc23)cc(OC)c1OC 1911579178 NGARVFFZCGZAET-UHFFFAOYSA-N 393.418 4.312 0 1 GIAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@](C)(O)[C@@H]2OCc1ccc2ccc(=O)oc2c1 2356779096 LSFPDSGTNWHMAC-ABZSKANCSA-N 398.499 4.235 0 1 GIAF CC1=C(C(=O)Nc2cccc(C(=O)N[C@H]3CCC[C@@H](C)[C@H]3C)c2)SCCO1 6895028 MCYZFHKBOIVVFE-LBTNJELSSA-N 388.533 4.175 0 1 GIAF CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3ccccc3c2)c1 13864711 HWJZJOWEFUMSJX-UHFFFAOYSA-N 378.472 4.459 0 1 GIAF CCN(CC)C(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26399184 GYORZCSFWWIIFC-ZLYPYOQPSA-N 388.596 4.382 0 1 GIAF CC(=O)c1ccc([C@](O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1 26847885 WTUDKRFYZXNLHW-XMMPIXPASA-N 383.451 4.084 0 1 GIAF NC(=O)c1ccc(-c2cnc([C@@H](O)CCCCCCc3ccccc3)o2)nc1 36079978 SGCDGOIXEMZDBH-IBGZPJMESA-N 379.460 4.062 0 1 GIAF CCCCCCC1=NO[C@@H]([C@H](c2cc[nH]c2)N(C)[C@H](C(=O)OC)C(C)C)C1 73258079 YRPLDGBUZAZOCH-AABGKKOBSA-N 377.529 4.301 0 1 GIAF CC(C)(C)Cc1nc2c(NCc3ccc(F)cc3)ncnc2n1C[C@@H]1CCCO1 82186081 YSRIULCEAYMIRK-KRWDZBQOSA-N 397.498 4.345 0 1 GIAF CN1[C@H]2CC[C@@H]1C[C@H](CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100897302 MHCSKANEQAAFNH-QAJRDKBLSA-N 384.470 4.433 0 1 GIAF NC[C@H]1C[C@@H](c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn32)C1 101107656 ZKDZHSAMEVMGFN-UAPYVXQJSA-N 399.498 4.010 0 1 GIAF CC(=O)N(C)[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 102890963 UCLJDKPSCNMHST-VWLOTQADSA-N 379.869 4.101 0 1 GIAF CC(C)n1cc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1 144903797 VWXDZHHBPKRPDI-HXUWFJFHSA-N 388.389 4.402 0 1 GIAF C[C@H]1CCCN(c2nccnc2O[C@H]2C[C@H](Nc3nc4ccccc4s3)C2)C1 146207026 RCSSHEXZQQVRTJ-HRCADAONSA-N 395.532 4.345 0 1 GIAF NCC1(c2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2)CCC1 149784393 LOXBGHNOBREYJT-UHFFFAOYSA-N 376.481 4.496 0 1 GIAF Brc1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1 169340317 OTDKTRHTEFHXBU-UHFFFAOYSA-N 387.262 4.463 0 1 GIAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccccc3)nc21 204528446 PYMZJZSFCLEAMP-UHFFFAOYSA-N 375.384 4.038 0 1 GIAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586941000 MIMZNNGLFAQELR-SREVYHEPSA-N 396.299 4.268 0 1 GIAF Cc1nc2[nH]c(-c3cnc(C)c(Br)c3C)nc2cc1Br 586979063 PPBWSXQOLHIGOF-UHFFFAOYSA-N 396.086 4.470 0 1 GIAF COc1cncc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587025962 JJIZAEPBWFXZAI-XIRDDKMYSA-N 396.516 4.103 0 1 GIAF Cc1csc([C@](O)(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)C(F)(F)F)n1 587094744 UUQXEAXOOFFCIP-GFCCVEGCSA-N 397.209 4.022 0 1 GIAF N[C@@H](Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1)C(=O)O 587104260 FUSIZKSWNJAAMT-FQEVSTJZSA-N 394.430 4.068 0 1 GIAF Cc1c(Br)cnc2[nH]c([C@@H](N)Cc3cccc(C(F)(F)F)c3)nc12 587114395 SUUHNFUJJUEPHE-LBPRGKRZSA-N 399.214 4.290 0 1 GIAF Fc1c(F)c(-c2nc3cc(Br)ncc3[nH]2)c(F)c(F)c1S 587133795 CXIOBNKVSYPPSA-UHFFFAOYSA-N 378.148 4.233 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3ccc(Br)cc3F)[nH]c2c1 587142575 GBCGCMFZAQPGPO-UHFFFAOYSA-N 377.213 4.237 0 1 GIAF COc1cccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c12 587169987 GYMASLFTYLLWEC-UHFFFAOYSA-N 397.431 4.178 0 1 GIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1F 587382689 TXQGLHHKYYENJQ-HNNXBMFYSA-N 380.213 4.194 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ncc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O 587424081 XBSBZVDGSZAOKM-GTNSWQLSSA-N 383.753 4.425 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(-c3ccc(OC)cc3)c1)CC2=O 587477914 VUMUOKQEZPTTGL-HSZRJFAPSA-N 392.455 4.420 0 1 GIAF COC(=O)c1oc2c(c1C)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587533984 TXMNYWBVYVMSBA-QHCPKHFHSA-N 380.440 4.450 0 1 GIAF Cc1cccc(OCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1C 587564258 PQKNEUICAFZNGX-UHFFFAOYSA-N 375.222 4.219 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2ccc(F)cc12 587571134 PKKBLQPKAJAIPK-DYESRHJHSA-N 376.343 4.111 0 1 GIAF CCOC(=O)C[C@]1(C2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799839 UHDPXQDNKMJCFR-CWTRNNRKSA-N 398.316 4.461 0 1 GIAF COCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807625 MGFXYMOGMGDURU-VOJFVSQTSA-N 380.257 4.195 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](C(=O)O)C(C)(C)C2)N1 587825003 FJWSUYOLTSYOPF-AJLCLMPTSA-N 384.289 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H](CC(=O)O)C2(C)C)N1 587825773 FHXUNNQQIZMPIR-GAOYYMGZSA-N 398.316 4.475 0 1 GIAF Cc1ccc(C(=O)O)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587828742 UYJRLDUUAXJYRA-WLRWDXFRSA-N 392.268 4.393 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2scc3c2OCCO3)N1 587854363 TUYBPBJQZMWWLR-VVVCHXIZSA-N 398.297 4.219 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnc(C)nc1C 587857853 AULZQSTZVPRQNP-UHFFFAOYSA-N 391.258 4.351 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1CCN(Cc2ccccc2)C1 587872705 SBBLJEQNYYMBEK-IBGZPJMESA-N 393.462 4.250 0 1 GIAF COc1cccc([C@]2(c3cccc(F)c3F)NCCc3cc(C)c(F)cc32)n1 962092449 NCLFVDDRRHZOPQ-JOCHJYFZSA-N 384.401 4.254 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@]1(c1ccccc1)[C@H]1CCCNC1 962401203 WFPDRCVDNFSWBQ-RDPSFJRHSA-N 391.584 4.388 0 1 GIAF Clc1cccc(C[C@]2(COc3ccc(Br)nc3)CCCNC2)c1 1857591006 UGXLZBZHGUNUKY-GOSISDBHSA-N 395.728 4.489 0 1 GIAF CNC(=O)c1cc(-c2nccc3c(Nc4ccccc4Cl)c(N)oc23)ccn1 1857653914 BFEGLKAENRYWFL-UHFFFAOYSA-N 393.834 4.229 0 1 GIAF CC(=O)CC[C@@H]1[C@@H]2[C@H](O)[C@H](C(C)C)[C@H](OC(=O)C=Cc3ccccc3)C[C@]21C 2356531822 MZRGOEIFXVZAOF-PITFWAOOSA-N 384.516 4.270 0 1 GIAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]3CCC4=C(C(=O)NC4=O)[C@@]3(C)[C@@H](O)C[C@H]21 2356847113 OTTQUFPARHXAJM-RYTXBFSFSA-N 399.575 4.369 0 1 GIAF CC[C@@H](CO)Oc1cc(NC(=O)c2ccc(C)cc2)c2ncn(C(C)C)c2c1 36389254 DBZFWPFXYREQLA-KRWDZBQOSA-N 381.476 4.328 0 3 GIAF CCCn1c(=O)sc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 8594717 RXEBSLGFYYJWAS-UHFFFAOYSA-N 376.865 4.144 0 1 GIAF O=C(Cc1ccsc1)NC[C@@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 12243369 YSTXSMAPCLMOBL-KRWDZBQOSA-N 384.888 4.126 0 1 GIAF COc1ccc(-c2coc3c4c(c(O)cc3c2=O)OC(C)(C)C=C4)cc1OC 15148481 BOIZFTZZQWFEJD-UHFFFAOYSA-N 380.396 4.367 0 1 GIAF biogenic CC(=O)O[C@@H]1CC/C(=C\CO)CO[C@@]1(C)CCC[C@H](C)C(=O)CC=C(C)C 27893521 BFHONWNIOCFNCX-WBVLRSDDSA-N 380.525 4.138 0 1 GIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/c2ccco2)c1 28462054 RELAZHIUNFIVGO-VAWYXSNFSA-N 376.456 4.306 0 1 GIAF CC1(C)[C@@H](CC(=O)O)[C@H]1c1ccc(OCCc2ccc3c(n2)NCCC3)cc1 28648245 FPSTULSQRYACMJ-PZJWPPBQSA-N 380.488 4.276 0 1 GIAF CN(Cc1ccccc1)C(=O)N1CCc2c(nc(CC(C)(C)C)n2CC2CC2)C1 42989601 TXZUNXUVCNXSRI-UHFFFAOYSA-N 394.563 4.492 0 1 GIAF CC1CCN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)CC1 82152227 SUYHWDRTNOKMCW-UHFFFAOYSA-N 382.483 4.145 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@@]21C 84739077 KXGVEGMKQFWNSR-NMLBAILVSA-N 392.580 4.478 0 1 GIAF C[C@@]1(c2cccc(CC(=O)c3ncc(Cl)cc3Cl)c2)CCSC(N)=N1 96174278 ZEIZUTKQITZQPV-SFHVURJKSA-N 394.327 4.481 0 1 GIAF CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3occc3n2)cc1 116903336 BSNUBNZYKGSKKY-UHFFFAOYSA-N 393.369 4.080 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cccc(C(F)(F)F)c3)C2)cc1 142182951 ICSBFGAOBIQTBK-ZDUSSCGKSA-N 378.394 4.170 0 1 GIAF Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)cnc(=O)n1C 261093743 DYFZGOFCSNGJAB-UHFFFAOYSA-N 375.350 4.270 0 1 GIAF COc1cc(Br)cc(C=O)c1OCc1nc2ccc(F)c(F)c2[nH]1 586980296 NTMWQBAEAWADAN-UHFFFAOYSA-N 397.175 4.004 0 1 GIAF CCCn1cnc2cc(-c3nc4ccc(OC)nc4[nH]3)cc(Br)c21 587003674 LQHHHZUCOGATID-UHFFFAOYSA-N 386.253 4.156 0 1 GIAF CC(=O)Nc1ccc(Cl)c(-c2nc3c(C)c(Br)cnc3[nH]2)c1 587051450 XLXOPTPQFXQQPV-UHFFFAOYSA-N 379.645 4.308 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c1 587230242 QKZHSWIWRAAFPR-UHFFFAOYSA-N 386.455 4.343 0 1 GIAF CC1(C)Cc2nc[nH]c2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587344398 GSAATVIYPFZYFR-WMZHIEFXSA-N 392.430 4.481 0 1 GIAF CCOc1cc(N(CC)CC)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587430079 QVIRDOUDIAPAIT-WZONZLPQSA-N 381.472 4.429 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCC(=O)N(Cc3ccccc3)CC1)CC2=O 587475566 POWAYJJWKMILTJ-XMMPIXPASA-N 393.483 4.261 0 1 GIAF CC(C)[C@@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572240 UMUFLWPUMCZXBV-UGKGYDQZSA-N 379.387 4.439 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc2cccnc12 587587965 QUGDUFKHNXQPDK-AUSIDOKSSA-N 385.375 4.349 0 1 GIAF COCc1ccc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587595010 QIFDZSROKCVBFH-REWPJTCUSA-N 392.407 4.250 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-n2ccnc2)cs1 587610004 BBHCDCQARKNWQN-RXVVDRJESA-N 390.420 4.342 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)c(N)c(F)c2)N1 587718100 HXICTULDGSQCKI-CQLKUDPESA-N 385.227 4.246 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)cn2)N1 587751853 BDVFKQXVPGQYFZ-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(N3CCCC3)c2)N1 587769238 YJNKPQPAAAYXIJ-HXPMCKFVSA-N 390.300 4.207 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C)(C)[C@H]1CC[C@@]2(C(=O)O)C1 587825684 HWFDYEKLZWGMOU-XYVUPVQVSA-N 396.300 4.229 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1cccc(F)c1 587861282 QKWNKNJIOFTZPA-UHFFFAOYSA-N 394.324 4.436 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccccc1[C@@H](C)c1cnc[nH]1 963071153 WUAMKFQKMDWKTF-OYLFLEFRSA-N 384.483 4.353 0 1 GIAF CCOC(=O)c1ccc(CC[C@H]2N[C@@H](C)Cc3c(OC)ccc(OC)c32)cc1 963634595 KUTLXZRHYBICMC-HNAYVOBHSA-N 383.488 4.089 0 1 GIAF CC(=O)c1ccc(NC(=O)Nc2ccc3nc(-c4cccc(F)c4)nn3c2)cc1 1857579505 MLWUTONJRFKVBR-UHFFFAOYSA-N 389.390 4.382 0 1 GIAF CN1CCO[C@@](OCCCO)(c2ccc(-c3ccc4ccccc4c3)cc2)C1 1857603362 SHFLIDLPOAGNFX-XMMPIXPASA-N 377.484 4.021 0 1 GIAF CCC(C)(C)c1ccc(OCCCCN2CCN(c3ncccn3)CC2)cc1 1857635358 WELARDHQWUKXHG-UHFFFAOYSA-N 382.552 4.145 0 1 GIAF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H]4C(=CC=C12)C(=O)N[C@]4(O)C[C@]3(C)O 2356326474 XLWSRBGCDBHJIY-WPIZBWDHSA-N 397.559 4.023 0 1 GIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@H](OC(C)=O)CC[C@H](C)[C@]12C 2356378982 DFIGTEZNNCEPNY-NAAVVGRGSA-N 388.460 4.319 0 1 GIAF CC(C)C1=C[C@@H]2[C@](C)(OC(=O)C=Cc3ccccc3)C[C@H](O)[C@H](O)[C@]2(C)CC1 2356539135 DRNUHBXXLRKSBG-KVFBUXGHSA-N 384.516 4.126 0 1 GIAF Cc1nn(C)c(C)c1CN(Cc1nc(-c2cc(F)ccc2F)oc1C)C1CC1 13593145 FJNLHZWCZQSEMQ-UHFFFAOYSA-N 386.446 4.443 0 3 GIAF CC(=O)O[C@H]1C[C@@H]2CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C[C@@H]1OC(C)=O 36383816 DHQLCWJHDQWZLR-UZBJCSTBSA-N 390.520 4.072 0 3 GIAF CCCCNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccccc1OC 4207482 IQSONPCLZDUUSP-UYAOXDASSA-N 386.879 4.357 0 1 GIAF C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)c1ccc(-c2ccc(O)cc2)cc1 12918346 QHQZLLNWULXNRK-MRUHUIDDSA-N 381.472 4.299 0 1 GIAF CCNc1cc(NS(=O)(=O)c2ccc(Cl)cc2)cc2c(Cl)n[nH]c12 13531364 VOIVRCSONXPIDP-UHFFFAOYSA-N 385.276 4.102 0 1 GIAF CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)cc3N)ccc21 35064619 XKRUEECNLGBFIJ-UHFFFAOYSA-N 395.484 4.206 0 1 GIAF O=C(O)c1cccc(-c2ccc(C(=O)O)c3oc4c(C(=O)O)cccc4c23)c1 36424242 WVLXHBZWIJHNJR-UHFFFAOYSA-N 376.320 4.348 0 1 GIAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(OCCCN2CCOCC2)cc1 42920485 RXOXDSRWZBURHI-UHFFFAOYSA-N 389.883 4.085 0 1 GIAF Nc1cc(Cl)ccc1-n1cc(C(=O)C(=O)Nc2ccncc2)c2ccccc21 45385853 GLLBZSVNGMCCSF-UHFFFAOYSA-N 390.830 4.083 0 1 GIAF COc1cccc(NC(=O)Nc2nn(-c3ccccc3)c(=O)c3ccccc23)c1 71297143 FNEMCFNNNVKRNA-UHFFFAOYSA-N 386.411 4.038 0 1 GIAF O=C(O)c1ccc(-c2ccc3nnc(-c4ccccc4C(F)(F)F)n3n2)cc1 82060577 SIIKZBVGCNXBSW-UHFFFAOYSA-N 384.317 4.175 0 1 GIAF CSCC[C@H](Nc1nc(-c2ccc(C)cc2C)cs1)C(=O)NC(C)C 82191820 HBVVYKSGKDHNAT-INIZCTEOSA-N 377.579 4.485 0 1 GIAF N=C(N)SCc1ccccc1Sc1cc(F)ccc1CSC(=N)N 84672008 FCADQHISGWXHMC-UHFFFAOYSA-N 380.539 4.230 0 1 GIAF COc1cc(F)c(F)cc1-c1ccc(OCc2cccc3c(=O)n(C)[nH]c23)cc1 96269830 DMLIRYZFFKGTRV-UHFFFAOYSA-N 396.393 4.399 0 1 GIAF O[C@@H](COc1ccc2c(c1)[nH]c1ccc(F)cc12)CN1CCOc2ccccc21 96939751 WDGSFULAXQYJKZ-MRXNPFEDSA-N 392.430 4.099 0 1 GIAF COc1ccc(-c2cnnc(N3CC[C@@H](c4cccc(Cl)c4)C3)n2)cc1OC 103227078 HTIVKEWQTQZBNV-MRXNPFEDSA-N 396.878 4.203 0 1 GIAF CC[C@H](C)C(=O)Oc1cc([C@@H](O)CNC(C)(C)C)ccc1OC(=O)[C@H](C)CC 149639675 HQLFPHIXYWCPLH-VYDXJSESSA-N 393.524 4.011 0 1 GIAF COC(=O)N1C2=C(c3ccccc3[C@@H]1CC(=O)O)[C@@H]1O[C@@H](C2)c2ccccc21 169299232 GLKGSBGQSUVJBZ-DJPFJPOOSA-N 377.396 4.212 0 1 GIAF O=C(NCCc1ccccc1)c1sc2ccccc2c1OC1CCNCC1 169307398 QORVDNKCVUSQAV-UHFFFAOYSA-N 380.513 4.005 0 1 GIAF CCCCC1([C@@H](O)/C=C/[C@@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 169315244 QXMPZYDJGKWCFG-VZBONYFWSA-N 392.536 4.031 0 1 GIAF Cc1cccc([C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1 199427504 GEAWGCJQCGWBBV-FQEVSTJZSA-N 388.515 4.159 0 1 GIAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](C1CCCCC1)(N1CCOCC1)C(=O)N2 219347147 NKDBTARATRHBLU-HSZRJFAPSA-N 395.503 4.018 0 1 GIAF C/C=C(/C)C(=O)O/C=C/Cc1cc(OC)c(OC(=O)[C@@H](C)CC)c(OC)c1 238745807 PGKIVNNPCDKGEQ-YWORBFDRSA-N 376.449 4.221 0 1 GIAF COc1cc(C(=O)O[C@H]2CC(C)=CCC3=C(C)[C@@](O)(C(C)C)C[C@@H]32)ccc1O 238764542 JYYOKKXDQOIMGH-LEDOBFOHSA-N 386.488 4.390 0 1 GIAF Cc1nc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)sc1-c1ccc(N)nc1 261086055 COAOLJMLZGYFOT-KLPPZKSPSA-N 384.427 4.403 0 1 GIAF Ic1cccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587016315 JQOZESDWPYNULQ-NSHDSACASA-N 397.241 4.143 0 1 GIAF Cc1cncc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c12 587058935 STIVPPNXOCUGDY-UHFFFAOYSA-N 385.254 4.450 0 1 GIAF CCCOc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1Br 587136579 SCHBTVYLYOFXHM-UHFFFAOYSA-N 379.233 4.085 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@H]1CC[C@@H](C(=O)O)C1)O2 587383963 IEDYIGRGYNVFIA-OXDBHQQFSA-N 383.419 4.078 0 1 GIAF CC[C@H](C(=O)O)n1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587389409 IAMUOGBTNGOVQU-WZONZLPQSA-N 392.455 4.448 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1)O2 587396533 UHIMNKWEYSTNBI-VGOFRKELSA-N 388.508 4.337 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](CCc1cncc(Br)c1)CC2=O 587459805 PVVPMUVXQUPNFL-AWEZNQCLSA-N 390.277 4.469 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-n2ccnc2)c1 587574787 BZNBXCUQERAQEQ-REWPJTCUSA-N 384.391 4.281 0 1 GIAF COc1ccc2c(c1)NCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595076 MNPBWWMAFMXXTI-NZQKXSOJSA-N 389.407 4.074 0 1 GIAF COc1ccccc1NC(=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 587623681 ZGQLDOIBQFESHK-UHFFFAOYSA-N 399.248 4.376 0 1 GIAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(Cl)cc1Cl 587638354 JXWXNDRSUKJXOZ-UHFFFAOYSA-N 392.194 4.191 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(O)cc3O)c(-c3ccc(F)cc3)c2c1 587650872 VYXVNXFPKKFWNE-UHFFFAOYSA-N 397.427 4.456 0 1 GIAF COc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1C 587745553 FYUBXKKIJGOXNB-GIGQVBGESA-N 393.300 4.285 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](c3ccnn3C)C2)N1 587762352 XSUQTYBCPPQZTR-BBEGDGIKSA-N 392.316 4.409 0 1 GIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 587785341 NCOKAJMWZUMGSV-VXGBXAGGSA-N 389.224 4.408 0 1 GIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1 587788008 YUDLRUNOYJJYAH-ZWKOTPCHSA-N 398.466 4.338 0 1 GIAF CC(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587814268 SWNPORDZMYLAQY-BLVKFPJESA-N 376.269 4.345 0 1 GIAF Oc1cc(-c2ccc(Cl)cc2)c(O)n1-c1nc(N2CCCCC2)ncc1F 587946260 VGWKAWPDRWKJTL-UHFFFAOYSA-N 388.830 4.128 0 1 GIAF CO[C@@H](C)COC1CCC(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC1 587951841 IZEPANKTZSBKRJ-IDKOKCKLSA-N 392.809 4.054 0 1 GIAF COc1ccc2c(c1OC)[C@]1(CC[C@H](c3ccccc3)C[C@@H]1CN)N(C)[C@@H](C)C2 962642692 ZNBLBGPBFROSOS-BVLNQHGRSA-N 394.559 4.318 0 1 GIAF COc1ccc(C)cc1-c1nc2sccn2c1[C@@H]1NCCc2ccc(O)cc21 963328160 CUYYOEWJQAJYED-LJQANCHMSA-N 391.496 4.321 0 1 GIAF Cc1cc2c(cc1O)[C@@H](c1ccc(-c3cccc(Cl)c3)o1)N[C@H](C(=O)O)C2 963473106 QXKJVQQASCDOEN-JXFKEZNVSA-N 383.831 4.302 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc(OCC(F)(F)F)c(F)c1 963609123 LUEBZZLHNFZEEB-WLRWDXFRSA-N 399.384 4.408 0 1 GIAF Cn1cc(-c2ccc(Cn3cc(-c4cccc(C(F)(F)F)c4)nn3)cc2)cn1 1857574439 PBYFXEFTMBEMLE-UHFFFAOYSA-N 383.377 4.413 0 1 GIAF COc1ncccc1-c1cc2c(cn1)[nH]c(=Nc1cccc(C(F)(F)F)c1)n2C 1857594397 NISYDDXGIHGCLL-UHFFFAOYSA-N 399.376 4.223 0 1 GIAF Cc1ccc(NC(=O)N2CCN(Cc3sc4ccccc4c3C)CC2)nc1 1857609450 PTAHTVDUAKRSQP-UHFFFAOYSA-N 380.517 4.263 0 1 GIAF C[C@@H](NC(=O)c1sc2nc3c(cc2c1N)N1CCC3CC1)c1ccccc1 5127032 XTUWUQFQJRWCLR-GFCCVEGCSA-N 378.501 4.067 0 1 GIAF O=C(Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1)c1cccnc1 13472566 SGZMABKXCSXQTM-UHFFFAOYSA-N 381.391 4.494 0 1 GIAF COc1cc(O)c2c(=O)c(CC=C(C)C)c(-c3cc(O)c(OC)cc3O)oc2c1 14648312 YIGFIYUYIAFKOH-UHFFFAOYSA-N 398.411 4.103 0 1 GIAF biogenic,in-vitro CN(C)C[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 26579192 XOVBJTUJGIYBMN-IBGZPJMESA-N 377.315 4.224 0 1 GIAF CC(C)(C)c1cc(I)c2c(c1)CN[C@]1(O2)C2C[C@@H]3C1[C@@H]3C2 27656444 PWTLQRKEHUPYSI-QUWSKKHWSA-N 395.284 4.053 0 1 GIAF O=C1O[C@H](O)C(c2cccc3c2Sc2ccccc2S3)=C1Br 28639983 BPBHJOKYYDGIFG-HNNXBMFYSA-N 393.283 4.284 0 1 GIAF NC(=O)c1sc(-c2cnc3ccccn23)cc1OCc1ccccc1Cl 42989565 CXKUHYCMRFFSSE-UHFFFAOYSA-N 383.860 4.394 0 1 GIAF Cc1ccccc1C(=O)NC[C@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21 45255475 GVGXXRDDTTYRKY-KRWDZBQOSA-N 398.768 4.398 0 1 GIAF NNc1ncnc2c1cc(-c1ccc(Br)cc1)n2-c1ccccc1 64448049 CFZQNBLRIWSRPJ-UHFFFAOYSA-N 380.249 4.136 0 1 GIAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2)C1 82133320 UHOHDKJZZGLWOR-QZTJIDSGSA-N 378.520 4.252 0 1 GIAF Cc1nc(Cc2cccc(Oc3ccccc3)c2)c(CCC(=O)O)c(C=O)c1O 103242029 JFBRYAUUBAOZRW-UHFFFAOYSA-N 391.423 4.308 0 1 GIAF Cc1ccc(O)cc1Nc1ccnc2ccc(C(=O)NCC3CCOCC3)cc12 139938544 QLSAXYFWMHAMER-UHFFFAOYSA-N 391.471 4.149 0 1 GIAF O=C(NCc1cccs1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167307518 UGNXACNOXZFYII-UHFFFAOYSA-N 377.469 4.226 0 1 GIAF C[C@@H]1CN(C[C@H](O)COc2cccc(CNC3CCCC3)c2)Cc2ccccc21 219775357 NLFFHISKVLNNGK-XXBNENTESA-N 394.559 4.078 0 1 GIAF CN(CCNCc1cc(Cl)cc(Cl)c1)c1nc2ccc(Cl)nc2[nH]1 584905782 RQBUPIVTKWJGSG-UHFFFAOYSA-N 384.698 4.144 0 1 GIAF in-vitro O=Cc1ccc(OCc2occc2-c2nc3c(Br)ccnc3[nH]2)cc1 586900839 NPJMTZGSVSUWAW-UHFFFAOYSA-N 398.216 4.372 0 1 GIAF O=C(c1ccccc1)c1ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1 586924289 OJUGMXAUPGNUSJ-BUHFOSPRSA-N 388.448 4.239 0 1 GIAF N[C@H](c1ccsc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587024991 HNKXCCXDRHDTII-SNVBAGLBSA-N 376.201 4.454 0 1 GIAF Cc1c(Br)cnc2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 587077215 RUNPMODXQZOETF-CYBMUJFWSA-N 391.656 4.299 0 1 GIAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(Cl)cc(Br)c2[nH]1 587092759 APPIRIOIJDIVAA-RXMQYKEDSA-N 384.583 4.108 0 1 GIAF Cc1nccc2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc12 587231447 AWWRXHXRRCOEPC-UHFFFAOYSA-N 379.464 4.230 0 1 GIAF Cn1cc(Cl)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587332030 QNMMBDUYOXSZAG-YLJYHZDGSA-N 386.810 4.193 0 1 GIAF CC1(C)[C@H]2C[C@H]1[C@](C)(O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346824 AJVUKXMVTFSSAH-RPUZWTQGSA-N 396.458 4.446 0 1 GIAF CCCc1c(O)ccc2c1O[C@H]([C@@H](CNC(=O)OC(C)(C)C)C(C)C)CC2=O 587471603 ULNJZFPACONNJB-LPHOPBHVSA-N 391.508 4.475 0 1 GIAF Cc1cccc2c1OC(C(=O)O)=C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587529979 CTVMBXQELYBGOY-QHCPKHFHSA-N 376.408 4.095 0 1 GIAF O=C1C[C@@H](c2ccc(CN3CCSCC3)o2)Oc2c1ccc1c2CCCC1 587538659 QZDYUDNJTLZCSI-NRFANRHFSA-N 383.513 4.414 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)Nc2ccccc2)N1 587742432 KYQIEYGZOKFAND-CWTRNNRKSA-N 391.284 4.366 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C)NC(=O)OC(C)(C)C)N1 587751178 WUCRKPCVTLEGHG-AMJWSMQMSA-N 387.293 4.077 0 1 GIAF COC(=O)C[C@H](C)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587783054 FEVBUWMHJOZCRF-SSDOTTSWSA-N 379.176 4.086 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc(Cl)cn1 587854010 DJMYPTFGHZKIOX-UHFFFAOYSA-N 399.665 4.446 0 1 GIAF CCNS(=O)(=O)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)c(NCc2ccccc2)c1 653719659 XGFSUXJOQVKUAY-BBTUJRGHSA-N 399.560 4.197 0 1 GIAF CCC(=O)N1c2ccccc2CC[C@H]1C(=O)Nc1ccccc1C(F)(F)F 653840746 ZWYAMBHDKOPSIN-KRWDZBQOSA-N 376.378 4.402 0 1 GIAF C=C1NC(C)=Cn2nc([C@]3(C)c4ccsc4CCN3Cc3ccco3)cc21 962701036 CQWKFZJYHNHZBN-NRFANRHFSA-N 378.501 4.252 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962710040 PBPCOIMGLTWFDG-ZLFOXAAKSA-N 391.552 4.384 0 1 GIAF CN(C)C(=O)c1ccc2c(c1)[C@]1(Cc3ccccc3Nc3ccccc31)NCC2 962924206 NYUPBKNZIRYINB-RUZDIDTESA-N 383.495 4.077 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(SC(F)F)cc2)N1 963239095 ZTRMODRDFROHHD-ZWKOTPCHSA-N 386.423 4.238 0 1 GIAF Cc1cc(OCc2cccnc2C)cc(C)c1-c1ccnc(N2CCNCC2)c1 1772652225 CGFWOLIXFCZMJE-UHFFFAOYSA-N 388.515 4.057 0 1 GIAF C[C@H](c1ccccc1)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21 1857559378 SVHFOHFXYDMAPK-CQSZACIVSA-N 385.514 4.068 0 1 GIAF COc1c2c(cc3c1[C@H]1Oc4c(ccc(O)c4C=O)[C@H]1CO3)OC(C)(C)C=C2 2356428015 UKDKDKJBFPHLLS-SZNDQCEHSA-N 380.396 4.007 0 1 GIAF CC=C(C)C(=O)O[C@@H](C)[C@H](OC(=O)C(C)=CC)c1cc2c(c(OC)c1)COC2 2356514420 FPNDMJFSLCQGMU-YWZLYKJASA-N 388.460 4.174 0 1 GIAF CC(=O)OC=CC(=COC(C)=O)[C@@H](C[C@H]1C(C)=CCCC1(C)C)OC(C)=O 2356859207 SSBRJAXNTZJRDB-VQTJNVASSA-N 378.465 4.215 0 1 GIAF CC1(C)CC(=O)[C@H]2C(=Nc3cc4c(cc3[C@H]2c2ccc3c(c2)OCO3)OCO4)C1 2493468 MJCORWPEGJFHQI-FGZHOGPDSA-N 391.423 4.367 0 1 GIAF C[S@](=O)c1cccc(-n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)c1 3815774 IAROMOZGTJIMAY-HHHXNRCGSA-N 377.444 4.478 0 1 GIAF Cc1ccc2c(c1)N(CC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C)C(=O)c1cccnc1O2 6878062 BJSBMECVEKPDDO-BQFCYCMXSA-N 393.487 4.083 0 1 GIAF Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(Cl)cc3)c2)on1 8583887 XYHZPMUAWIUTJV-UHFFFAOYSA-N 376.865 4.090 0 1 GIAF C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 34169005 KXGVEGMKQFWNSR-PLRGOGCJSA-N 392.580 4.478 0 1 GIAF CCN(Cc1ccccn1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 35967335 DKNJQXGMJWCWEW-UHFFFAOYSA-N 378.316 4.420 0 1 GIAF Cn1nc(C2CCCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccco1 39560671 NPYQLEBYAVPENP-ZVDOUQERSA-N 382.552 4.028 0 1 GIAF biogenic CCOC(=O)CSc1nc(Cl)cc(Oc2ccc3ncccc3c2)n1 40393252 LCCDSGPDPYZIBG-UHFFFAOYSA-N 375.837 4.126 0 1 GIAF CC(C)=Cc1c(C)cccc1C(=O)N[C@]1(C(=O)O)Cc2ccc(Cl)cc2C1 43202052 KVHVXSLWWFDHJQ-JOCHJYFZSA-N 383.875 4.424 0 1 GIAF CC1(C)Oc2ncnc(N)c2N[C@H]1c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 101448015 HFRMBAKVLJMJNB-KSMMKXTCSA-N 396.491 4.132 0 1 GIAF Cc1ccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C(=O)Nc2ccccc2)cc1 104997772 CJWTWLNIGWYDQG-NHCUHLMSSA-N 377.488 4.342 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)c5ccc[nH]5)CC[C@@H]4[C@@H]3CC[C@@H]12 169321540 ADCZPIWAYHWQLK-AYBZCOGJSA-N 380.532 4.453 0 1 GIAF COc1cc(/C=C/C(=O)NCCc2c(C)oc3ccccc23)cc(OC)c1OC 169347566 OVAICNVLFOZDFK-MDZDMXLPSA-N 395.455 4.139 0 1 GIAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 299887888 ZPCXAUOJBCUVFD-BAGYTPMASA-N 398.503 4.013 0 1 GIAF O=C(c1nc2c(Br)nccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132804 HWIAXCXPHDOPFS-UHFFFAOYSA-N 389.011 4.397 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(C)c(F)c3)[nH]c2c1 587146811 XJZIIYFSJYQBJN-DHZHZOJOSA-N 387.480 4.211 0 1 GIAF C[C@@H](Cc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1)N(C)C 587190991 KCXZGOQPCFNLPM-ZDUSSCGKSA-N 388.309 4.397 0 1 GIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CS(=O)(=O)CC3)c1 587364721 GVEZUANNVQPTOD-UHFFFAOYSA-N 379.437 4.128 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1sc(=N)[nH]c1C)CC2=O 587493410 GXBPYJDRZZUTMH-JOCHJYFZSA-N 394.496 4.431 0 1 GIAF COC(=O)c1oc2c(c1C)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587533983 TXMNYWBVYVMSBA-HSZRJFAPSA-N 380.440 4.450 0 1 GIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1F 587558111 PYCMBWCGPBNBRH-RXVVDRJESA-N 384.334 4.382 0 1 GIAF Cc1ccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587661349 XQBNOEHFPMQSDW-UHFFFAOYSA-N 388.398 4.230 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(NC(=O)OC(C)(C)C)CC2)N1 587741678 HYSMDHXBIPSMOR-BONVTDFDSA-N 399.304 4.221 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nn(C(C)(C)C)cc2O)N1 587763752 LZTDLGCPRZFUBS-MGNBDDOMSA-N 396.304 4.043 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)CCN3)N1 587793751 KVIDCKZSMOCFQM-WYRIXSBYSA-N 375.285 4.354 0 1 GIAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587806518 JRRFDYPRODSKSI-MLCYQJTMSA-N 380.257 4.229 0 1 GIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587811387 ZVYKJMTVKHLKGP-JEOXALJRSA-N 394.284 4.403 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c(O)cccc32)N1 587835720 XRBCIJUARVQXOI-WYRIXSBYSA-N 376.269 4.408 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCCC3)s2)N1 587855729 VSIYFHFGJIDGEP-QLJPJBMISA-N 396.329 4.269 0 1 GIAF Cn1cc(-c2ccc(Cc3n[nH]c4ccc(C(=O)N5CCCCC5)cc34)cc2)cn1 653724998 GEANABGVEPQZHT-UHFFFAOYSA-N 399.498 4.180 0 1 GIAF COc1ccc2c(c1OC)[C@H](c1cn(-c3cccc(F)c3)nc1C)N(C)[C@@H](C)C2 962621553 HIZRKIFKGABOOW-FPTDNZKUSA-N 395.478 4.303 0 1 GIAF COc1cc2c(cc1OC)[C@@](CCCN(C)C)(Cc1ccccc1)N(C)[C@H](C)C2 962629673 IDMGOULNKMNFDW-KBMIEXCESA-N 396.575 4.360 0 1 GIAF CC(C)c1nn(C)c2c1[C@](C)(c1ccc(Cl)cc1Br)NCC2 962916557 BXBMBHINOQGUAE-KRWDZBQOSA-N 382.733 4.369 0 1 GIAF CC(=O)N[C@@H](C)/C=C/c1cnc(Oc2ccc(OCC3CC3)cc2Cl)n1C 1857757496 RWGBBHARSNCBAC-LVDDQXARSA-N 389.883 4.192 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N1CCOCC1 4216530 VJEUMXHRVYKLRF-MOPGFXCFSA-N 396.890 4.352 0 1 GIAF CC(=O)O[C@@H]1CC[C@@H]2C(=O)c3occ(C)c3[C@H](OC(=O)C(C)C)[C@@]2(C)[C@@H]1C 13322644 IJCGYKJLAZFDNU-VRYJIPHESA-N 376.449 4.009 0 1 GIAF biogenic CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)CCC)CC2)cc1 13444638 AWRHPMGJQNISSW-UHFFFAOYSA-N 388.552 4.163 0 1 GIAF Nc1ccccc1C(=O)CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCS3 13488010 RGBZBUUBQUSTAD-ICSRJNTNSA-N 393.556 4.016 0 1 GIAF Oc1ccc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2c1C1CCCC1 14945413 TWOLZYGLMTWBFU-UHFFFAOYSA-N 389.503 4.146 0 1 GIAF COc1ccc([C@@H]2CC3(N(C)C)C[C@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1 38308024 ZKWMIFWZIBHEBK-GSDWIKKDSA-N 381.516 4.046 0 1 GIAF COC(=O)c1cnc(C(=O)[C@H]2CCc3cc(OCc4ccccc4)ccc3C2)o1 71317587 ASLILWCUQSECNK-SFHVURJKSA-N 391.423 4.028 0 1 GIAF Cc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@H](O)CN2Cc2cccs2)cc1 72120354 XRHLWNKYCHYPJE-FDFHNCONSA-N 394.544 4.075 0 1 GIAF C1=C(CCNc2cncc(Oc3cccc(N4CCOCC4)c3)n2)CCCC1 82068436 OPZQCCAHXNKCQS-UHFFFAOYSA-N 380.492 4.408 0 1 GIAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccc(F)cc2)C1 82140189 JLRPPIATZWWMLZ-HOTGVXAUSA-N 384.499 4.390 0 1 GIAF CC(C)Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1C[C@@H]1CCCO1 82188503 NMFQMHPOMGEXSH-HKUYNNGSSA-N 393.535 4.419 0 1 GIAF O=C(O)C1=C[C@@H](O)[C@@H]2C[C@H]3[C@H](CCCCCc4ccccc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 84688546 OVHYDIJYSJGQRI-ZGUIALOBSA-N 378.512 4.476 0 1 GIAF O=C(CSc1nccnc1-c1ccccc1Cl)N1CCc2ccccc2C1 95560269 NCVUVFXHZUCEEC-UHFFFAOYSA-N 395.915 4.474 0 1 GIAF O=C(Nn1c(S)nnc1-c1cccc2ccccc12)c1cccc(Cl)c1 103202083 RHMWKNYYMDMIQO-UHFFFAOYSA-N 380.860 4.424 0 1 GIAF CNC(=O)Oc1ccccc1OC/C=C/COc1ccc(C(F)(F)F)cc1 103214386 CERVNFNAHQTRKT-SNAWJCMRSA-N 381.350 4.438 0 1 GIAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1Cl 169723994 JDESMLBZOPKIKC-DOTOQJQBSA-N 395.858 4.442 0 1 GIAF Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1F 261130160 KZUDVENDSUODSU-GGYDESQDSA-N 391.439 4.274 0 1 GIAF FC(F)(F)C(F)(F)c1cc2nc(-c3csc4c3CCOC4)[nH]c2cn1 587032544 XWIVDQWHZGFPSE-UHFFFAOYSA-N 375.322 4.413 0 1 GIAF COC(=O)c1ccc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2c1OC 587241680 GZIDCFVVWDBBGK-UHFFFAOYSA-N 381.432 4.010 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3nc(O)ccc32)[C@@H]1c1ccc(F)cc1 587344917 HUQVVEPDCIZTIB-FYYLOGMGSA-N 391.398 4.223 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348347 NTXPNZFZKCTOSX-ZNRXUEPQSA-N 398.430 4.382 0 1 GIAF CCOC(=O)[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351808 VIFXBEVJIUQWPL-SIKLNZKXSA-N 386.419 4.238 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CC[C@H]4CN(Cc5ccccc5)C[C@H]4C1)[C@@H](C2)C3=O 587441029 CVVXLOWDDONSRC-BZEMNPKYSA-N 389.495 4.114 0 1 GIAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)(c1ccc(Cl)s1)[C@@H](C2)C3=O 587451514 PGFNGAFIWZVLLR-CDNSIRFLSA-N 375.877 4.128 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1nc(-c4ccccc4OC)cs1)[C@@H](C2)C3=O 587451996 PRXANSGBHQIZSV-XOBRGWDASA-N 379.437 4.316 0 1 GIAF C[C@@]1(c2ccccc2-n2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580898 JROGEMDPQFFRIG-URXFXBBRSA-N 398.418 4.455 0 1 GIAF Cc1nn(C(C)C)c(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582636 QOJNSBBUTHWAKB-DENIHFKCSA-N 378.428 4.489 0 1 GIAF Cn1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cn1 587584036 YNRGBAYKRJTATP-XUZZJYLKSA-N 398.418 4.496 0 1 GIAF COc1ccc(COC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587800708 HOSHWZHSQCPFOU-YVEFUNNKSA-N 394.284 4.389 0 1 GIAF COC(=O)C[C@]1(C2CCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587810007 SPBYKTZWKHVQNQ-ADLMAVQZSA-N 384.289 4.071 0 1 GIAF Cc1ccc([C@]2([C@@H](C)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587828152 RUBJSQRHAAXPDY-QUJCMNEKSA-N 378.285 4.055 0 1 GIAF Cc1cc2c(cc1[C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCCO2 587833754 IAEDOABUHSDNMA-JEOXALJRSA-N 392.268 4.291 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)NCc1ccccc1 587862705 GAFXAQKHIBSDJR-UHFFFAOYSA-N 375.350 4.335 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1CCN(Cc2ccccc2)C1 587872706 SBBLJEQNYYMBEK-LJQANCHMSA-N 393.462 4.250 0 1 GIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc(Cl)s2)N1 962698270 GMPHGVBKUJEPSI-GWCFXTLKSA-N 379.762 4.248 0 1 GIAF C[C@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC[C@@H](c2ccccc2F)C1 1772613748 PPECTGCFLSGBEM-HUUCEWRRSA-N 395.482 4.337 0 1 GIAF CC[C@H](NC(=O)c1cnn2cc(-c3ccccc3)cnc12)c1ccc(OC)cc1 1772625473 RURXFMNQJATLEK-NRFANRHFSA-N 386.455 4.286 0 1 GIAF COc1ccc(-c2cnc3n[nH]c(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1 1857558576 IPGBYJUUWDDCNX-UHFFFAOYSA-N 391.427 4.326 0 1 GIAF C[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3ccc4ncnc(O)c4c3)cc21 1857591386 CHFRZGVWOWRPRN-DEOSSOPVSA-N 381.435 4.455 0 1 GIAF COc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc(C(F)(F)F)c1 1857612092 CPCQFQPUYYJGQE-UHFFFAOYSA-N 381.285 4.155 0 1 GIAF CC(C)=CC[C@@H]1Cc2cc([C@@H]3CC(=O)c4ccc(O)cc4O3)ccc2O[C@H]1O 2356571011 CZCONLMTHFNNBM-LDLFBNOTSA-N 380.440 4.325 0 1 GIAF O=C(O)c1ccc(CSc2nnc(-c3ccccc3Br)o2)cc1 905498 KZPMWIRORHEHKX-UHFFFAOYSA-N 391.246 4.490 0 3 GIAF C[C@@H]1[C@@H](NC(=O)[C@H]2c3ccccc3C(=O)N2Cc2cccs2)CCC[C@H]1C 245234906 GBUAIQSYTFUVOO-VVVONTASSA-N 382.529 4.386 0 3 GIAF C[C@@H]1CCCN(Cc2cn3c(-c4ccc(Br)cc4)nnc3s2)C1 2467086 QLPBPRGDYQDIBR-GFCCVEGCSA-N 391.338 4.452 0 1 GIAF O=C1N(Cc2ccc(Oc3ccc(C4CCCC4)cc3)cc2)CCS1(=O)=O 12341144 CHTSYFPHHFVNPI-UHFFFAOYSA-N 385.485 4.487 0 1 GIAF CCOc1cc2c(cc1O)[C@@H](NC(C)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 13809097 YRMUBJUOYFERGW-HRJJXQJXSA-N 387.520 4.033 0 1 GIAF COc1ccc2c(c1)[C@H](NCCN1CCN(c3ccc(Cl)cc3)CC1)CCC2 22939541 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Cc1ccc(CN2CCC[C@@H](N3CCC(c4ccc(O)cc4)CC3)C2=O)cc1F 1772621661 JWURERWEWQWZEP-HSZRJFAPSA-N 396.506 4.210 0 1 GIAF C[C@](O)(CCCCCCCCCc1ccc(O)cc1)C[C@@]1(C)OC(=O)C[C@H]1O 2356570308 DIFCTNZAEJDHLR-AKIFATBCSA-N 392.536 4.263 0 1 GIAF CC[C@H](C)[C@@H]1O[C@H](c2c(O)c(-c3ccccc3)cn(OC)c2=O)[C@H](C)C[C@H]1C 2356738625 WGEGPIRBSMWCPA-UWQYNENASA-N 385.504 4.428 0 1 GIAF CC1=C[C@@H]2CC(C)(C)C[C@@H]2[C@]2(C)C[C@H](OC(=O)c3c(C)cc(O)cc3O)[C@]12O 2356829408 IYEAUWRMSINGJO-BKVAEUFESA-N 386.488 4.085 0 1 GIAF COc1cc([C@@H]2CC(=O)Oc3cc(C)c(Cl)c(C)c32)cc(OC)c1OC 34114879 LHNIIFOVQHAFIG-ZDUSSCGKSA-N 376.836 4.424 0 3 GIAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)N[C@H]2CCCC[C@H]2O)cc1 773887 HFSFWDAOBGMTOI-RBUKOAKNSA-N 392.455 4.051 0 1 GIAF CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1CCCC[C@H]1O 777197 SZKMZSZTBUJMPF-UONOGXRCSA-N 394.874 4.465 0 1 GIAF O=C1CCCc2c1cc(C(=O)Nc1ccccc1)c(=O)n2-c1ccc(Cl)cc1 2502313 OGMAYVWBHMMJSY-UHFFFAOYSA-N 392.842 4.262 0 1 GIAF CCc1cc([S@](=O)Cc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C 5887551 MHSAWMMHJUDIJZ-DEOSSOPVSA-N 385.272 4.002 0 1 GIAF N=c1sc(-c2cccnn2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 29464439 SVWBLFAVSMSLJH-UHFFFAOYSA-N 392.193 4.196 0 1 GIAF Clc1ccc2c(c1)C[C@@H](NCCCN1CCOCC1)c1ccccc1S2 33690426 LHAIIKGLZWATAU-LJQANCHMSA-N 388.964 4.400 0 1 GIAF COc1cc([C@H](CC2=CCCCC2)NC(=O)C(F)(F)F)cc(OC)c1OC 36381914 SVHFJHWSPSHPPU-AWEZNQCLSA-N 387.398 4.323 0 1 GIAF O=C(O)CCC(=O)NCCCCCCNc1c2c(nc3ccccc13)CCCC2 95564320 YFQNCPFXYSSUEF-UHFFFAOYSA-N 397.519 4.067 0 1 GIAF CN(C)C(=O)O[C@H](c1cnccc1C(F)(F)F)c1ccnc2ccccc12 103189004 DXORFRHBGRXCFR-KRWDZBQOSA-N 375.350 4.436 0 1 GIAF Cc1cnc(-c2cc(F)ccc2F)cc1Nc1ccnc2cn(C[C@@H](C)O)nc12 140280804 ZQMWZDIDXIXNKS-CYBMUJFWSA-N 395.413 4.204 0 1 GIAF Fc1ccc(-c2csc3ncnc(N4CCC(CNC5CC5)CC4)c23)cc1 146470674 SDJQBCZXYZNAFS-UHFFFAOYSA-N 382.508 4.466 0 1 GIAF CCN(C)CCOc1ccc2c(c1)C(C)(C)[C@@H]1Oc3cc(F)ccc3[C@@H]1C2=O 166024156 ZUSHXHDVTSGFEB-IFMALSPDSA-N 383.463 4.175 0 1 GIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)ncc2[nH]1 587080631 RRTTYQXRZJQJCB-LLVKDONJSA-N 379.773 4.354 0 1 GIAF FC(F)(F)CSc1cc(-c2nc3cc(Br)ncc3[nH]2)ccn1 587091134 FQABAIOBVZZNKN-UHFFFAOYSA-N 389.200 4.437 0 1 GIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(N)c(N)cc3[nH]2)c(F)c1 587144318 IEQGRMQUGPKCBK-UHFFFAOYSA-N 376.391 4.207 0 1 GIAF CCc1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 587188438 SWMKQDCUDYQULC-UHFFFAOYSA-N 388.212 4.045 0 1 GIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(F)c(F)cc4[nH]3)c2)c1 587232693 ZTPAVICYBUKNNQ-UHFFFAOYSA-N 377.394 4.459 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccc(O)cc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427140 GZDUFYRHLPFICS-CVDCTZTESA-N 376.383 4.231 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C=C(c4ccccc4)Oc4cc(N)ccc41)[C@@H](C2)C3=O 587432496 MNYFZDBACHAFAQ-UQBPGWFLSA-N 397.430 4.354 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=O)C3CC3)c(OC)c1)CC2=O 587484037 WAIBUPLVNSIBJV-HXUWFJFHSA-N 396.439 4.375 0 1 GIAF CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518159 CFSMAHCHCPFWRW-FOMLIJIXSA-N 383.488 4.441 0 1 GIAF C[C@]1(c2ncc(F)cc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566811 AQNDBHVADVCBNZ-UZLBHIALSA-N 385.778 4.457 0 1 GIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)N1CCCC[C@H]1C 587623231 AUCJOLOTFFFOEZ-SECBINFHSA-N 375.270 4.130 0 1 GIAF C[C@H](N(C)C)[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587743569 XDADBOSAVDMXCQ-LAPQFRIASA-N 391.328 4.316 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nn(C)cc3c2)N1 587761156 SRCGEWYHNKQEJY-NSPYISDASA-N 388.284 4.273 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C(=O)OC(C)(C)C)C2)N1 587795628 RSOHHRJINVJKNM-LRWYKZPYSA-N 384.289 4.069 0 1 GIAF COc1n[nH]c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc12 587798727 VQRXBGYXVGZUHC-VVVCHXIZSA-N 390.256 4.097 0 1 GIAF COC(=O)[C@@H]1CCCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587805612 IBMTTXCGFQUEBN-RRUGBERISA-N 384.289 4.071 0 1 GIAF Cc1nc2sccn2c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587855509 JETYHOQGXCXBGG-XYZCENFISA-N 394.313 4.404 0 1 GIAF Clc1ccc(OC2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1 653670666 TTYKTKJDKGOHIN-UHFFFAOYSA-N 395.894 4.300 0 1 GIAF CC(C)CCOC(=O)[C@@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962639298 PYQNLRVCBVGIQR-WIOPSUGQSA-N 392.543 4.238 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cnc3ccccc3c2Cl)N1 963238466 ZDXZVCGDFPIYDJ-CTNGQTDRSA-N 389.842 4.125 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]21CC(C)(C)CC(=O)[C@@H]1CCC(C)=O 963258561 OEPUDRXCIDUJHZ-YCRPNKLZSA-N 377.912 4.064 0 1 GIAF CCCCNCCCCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772612821 GSHDZKOXNOERJA-UHFFFAOYSA-N 397.471 4.420 0 1 GIAF COc1cccc([C@H](C)N(C(=O)c2ccccc2)[C@@H](C(N)=O)c2ccccc2)c1 1772616550 SLBBUDXQJSUYGA-HTAPYJJXSA-N 388.467 4.125 0 1 GIAF Cc1noc(C)c1-c1cccc(COc2ccc3c(c2)OC[C@H]3CC(=O)O)c1 1857756141 YRIWMCNVPRNPSA-QGZVFWFLSA-N 379.412 4.488 0 1 GIAF O=C(/C=C/c1ccncc1)Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1 1911570869 ZDIWMLMYHZKAFJ-UNXLUWIOSA-N 379.366 4.264 0 1 GIAF CC[C@@H](CO)Oc1cc(NC(=O)c2ccc(F)cc2)c2ncn(C(C)C)c2c1 36389256 CBWDXYNOMABEEN-INIZCTEOSA-N 385.439 4.158 0 3 GIAF C=C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 13861820 AWZOTLBLGSFFML-UHFFFAOYSA-N 381.233 4.416 0 1 GIAF O=C(c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cnnc1)c1ccc(Cl)cc1 26013687 RZGGYANBKWXXOD-QGZVFWFLSA-N 396.661 4.009 0 1 GIAF CCCCCCc1c(O)cccc1OCCCCCCCC(=O)NCCO 28649197 VYKBDKZHAWIIJI-UHFFFAOYSA-N 379.541 4.343 0 1 GIAF Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1 28890073 LOIFMQKKMVMVNT-UHFFFAOYSA-N 392.337 4.141 0 1 GIAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(Nc3ccccc3)n2)cc1 43075493 YBTJEHRYMDVKAS-UHFFFAOYSA-N 393.390 4.310 0 1 GIAF O=C(c1ccc(Oc2cccc(Cl)c2)cn1)N1CCCN(C2CCC2)CC1 53244152 SWRXGMYKZKAHPS-UHFFFAOYSA-N 385.895 4.228 0 1 GIAF C[n+]1c(-c2ccccc2)nn(CC(=O)CCc2ccccc2)c1-c1ccccc1 58563844 BOUORRGHINELPS-UHFFFAOYSA-N 382.487 4.244 0 1 GIAF CCNC(=O)c1ccc(-c2ccc3ncnc(NCc4nc(C)cs4)c3c2)o1 66148751 NRYGLIBBRBHRKT-UHFFFAOYSA-N 393.472 4.017 0 1 GIAF COCCn1c(C(C)C)nc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 82179000 IWDDMSYGDHYLLO-UHFFFAOYSA-N 393.413 4.227 0 1 GIAF Oc1ccc(CN2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1 95596874 DSYKHIALGWNWSP-UHFFFAOYSA-N 396.494 4.325 0 1 GIAF Cc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)O)cc2)cc1 115731443 LVUBTERNDXVNEX-UHFFFAOYSA-N 395.480 4.084 0 1 GIAF N#Cc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)n[nH]3)n2)cc1 169209046 ZYZVKVWSZPLFEL-UHFFFAOYSA-N 396.252 4.198 0 1 GIAF CCOC(=O)[C@@H]1C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccccc2)[C@H]1C 169715026 QENKGEVIUOCSBV-JXFKEZNVSA-N 391.467 4.431 0 1 GIAF Nc1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2cc1N 587068265 OCHAJSGQQHIXBL-UHFFFAOYSA-N 390.834 4.493 0 1 GIAF CC(C)[C@@H](c1nc2ccc([C@H](N)N=O)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198026 RVMGBBBGODPTHW-RBUKOAKNSA-N 395.463 4.252 0 1 GIAF C[C@]1(c2ccnc(Cl)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336730 ZJRSGEUYDSDYIP-YLJYHZDGSA-N 384.794 4.249 0 1 GIAF CCOC(=O)C[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587345613 GBHPUQBMIQJJCB-PNDGYVOYSA-N 398.430 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3cccn3)c(Br)c1)O2 587376007 GLZJTAJTRBGTII-GOSISDBHSA-N 398.260 4.232 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CO)(c1ccc(C(F)(F)F)cc1)CC2=O 587464508 RQNOITGUJITMRK-LJQANCHMSA-N 380.362 4.217 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccccc1OC)CC2=O 587475695 BYBVIJZLMPTUOY-QHCPKHFHSA-N 398.455 4.167 0 1 GIAF C[C@@]1(c2cnc3ccccc3n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588902 VDVQXAHQOZUUDV-REWPJTCUSA-N 384.391 4.212 0 1 GIAF COc1cc(OC)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587600537 OHQQAUNWTQQEEX-SIKLNZKXSA-N 378.380 4.112 0 1 GIAF COc1nc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587613150 NZQRBUVAEOBKMO-SWLSCSKDSA-N 389.816 4.214 0 1 GIAF CSc1ccc(C(=O)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587613856 PMGWBAXTFWZSFA-AVRDEDQJSA-N 392.432 4.327 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3cn(C)nc3c2)N1 587759748 MOXUBZQWEXDQJO-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF COC[C@@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587794551 OWABBBSKZHCRBW-BFUOFWGJSA-N 378.285 4.207 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(O)ccc3C2)N1 587834911 UKPIPCIBWXTJII-JEOXALJRSA-N 376.269 4.212 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)O)s2)N1 587848444 OMDYFXNVRWCQOC-PWJLMRLQSA-N 384.270 4.146 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C)c(C)c(O)n1 587860478 VAOWCDKCZZPQJO-UHFFFAOYSA-N 379.247 4.357 0 1 GIAF Cc1ccc(C(=O)Nc2ccc(Cn3c(=O)c(C)nc4ccccc43)cc2)cc1 653738972 DVAZGQJIYNMRNP-UHFFFAOYSA-N 383.451 4.314 0 1 GIAF COc1ccc2c(c1OC)[C@@H](c1nc(C)c(Br)s1)N(C)[C@@H](C)C2 962573405 RSWXFTOPTWFVRJ-XPTSAGLGSA-N 397.338 4.197 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(CCC[C@@H](Cc3ccc(Cl)nc3)C2)N1 962903468 VATHEULPOFBZNO-IBNJYYFUSA-N 388.870 4.101 0 1 GIAF Cc1ccnc2c1CCN[C@@]21CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1 963068051 JRHQOVBNRJQMDP-HYBUGGRVSA-N 393.531 4.156 0 1 GIAF COc1cccc(Cn2cnc3sc(-c4ccnc5[nH]ccc45)cc3c2=O)c1 1911577075 KAWWWOFUKPBPQJ-UHFFFAOYSA-N 388.452 4.058 0 1 GIAF CCc1cccc([C@H](C)CC)c1NC(=O)C[C@@H]1C(=O)Nc2ccccc2[S@@]1=O 17196746 KVDDCNDTBYRYTC-PZHVIUFYSA-N 398.528 4.220 0 1 GIAF COc1ccc2c(c1)CCN2c1cc(-n2ccc(-c3nccs3)n2)cc(C)n1 40393172 DFSWHVKCNMWGJB-UHFFFAOYSA-N 389.484 4.402 0 1 GIAF CC(C)NC(=N)c1ccc(OCCCOc2ccc(C(=N)NC(C)C)cc2)cc1 40952681 OCDKMXBICADDNB-UHFFFAOYSA-N 396.535 4.181 0 1 GIAF Cc1ccc2sc(CN3CCN(C(=O)Nc4cccnc4)CC3)c(C)c2c1 43059177 DBHXNWZBEPGHEW-UHFFFAOYSA-N 380.517 4.263 0 1 GIAF COc1ccc([C@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2C(N)=S)cc1 53243734 IHEPFUCGBHRUNZ-MRXNPFEDSA-N 380.300 4.397 0 1 GIAF Cc1nc2sc(C(=O)NCc3cccc(F)c3F)c(N)c2c(C)c1Cl 95595769 ZLQJRRFMFACGIH-UHFFFAOYSA-N 381.835 4.357 0 1 GIAF Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2cncc(F)c2)s1 96927962 GWAMNECAZIXYSS-UHFFFAOYSA-N 395.459 4.402 0 1 GIAF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Br)c(Cl)c1)CN32 100912848 GBSHIUSLZXGHTO-SKXYVWFGSA-N 396.712 4.142 0 1 GIAF CCCC[C@]12C[C@]1(C(=O)NCc1ccccc1)C(=O)Nc1ccc(Cl)cc12 101396555 USEREGWIQZTYGO-YADHBBJMSA-N 382.891 4.427 0 1 GIAF O=C(N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1)C1CC1 169024549 AYPVCAPOVVHYNK-RVWIWJKTSA-N 396.575 4.276 0 1 GIAF COCc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCCc2ncsc21 220887493 DKKJAIAKMMCJIJ-GFCCVEGCSA-N 385.316 4.333 0 1 GIAF CCCCS(=O)(=O)N[C@H](c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)C(C)C 586933270 ONKZOBRVJBDGIH-ZDUSSCGKSA-N 395.422 4.137 0 1 GIAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586984886 WBBHRHKHBVUIAA-VIFPVBQESA-N 386.080 4.270 0 1 GIAF C[C@@H]1CCc2sc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)cc2C1 587033338 HNVJKMWASDZESW-GFCCVEGCSA-N 391.500 4.476 0 1 GIAF CCOC(=O)[C@@H](C(C)=O)c1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098070 UMJXRBAKSQIWHB-IBGZPJMESA-N 387.435 4.299 0 1 GIAF CCOC(=O)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587345838 HDRPZFZOQGRGQM-NKTGRTDOSA-N 398.430 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(C)cccn3c1Br)O2 587371026 CPDYWQYWLNVDFU-AWEZNQCLSA-N 386.249 4.002 0 1 GIAF CCOC(=O)[C@H](C(C)C)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587401763 XWOJYSOIMVPMGZ-REWPJTCUSA-N 381.472 4.273 0 1 GIAF CCOC(=O)C[C@]1(c2ccc(Cl)s2)CC(=O)c2cc(C)cc(N)c2O1 587412152 XMWAQMVADRSSJU-SFHVURJKSA-N 379.865 4.106 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1ccc(C)cc1)CC2=O 587478854 HJQVQDAXZTYTHC-QHCPKHFHSA-N 382.456 4.467 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(S(C)(=O)=O)cc1Cl)CC2=O 587488907 SJFDFFLXDCUISF-SFHVURJKSA-N 394.876 4.108 0 1 GIAF C[C@]1(c2cn(Cc3ccc(F)cc3)nn2)CC(=O)c2ccc3c(c2O1)CCCC3 587504553 HRPVOOGAGJHRSY-HSZRJFAPSA-N 391.446 4.225 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncc(Br)c1 587539946 GLZOEEYACUJSOP-APWZRJJASA-N 398.212 4.253 0 1 GIAF CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C2CC2)n1 587583667 WKTSRNLRKYVFQK-GCJKJVERSA-N 376.412 4.189 0 1 GIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1S 587610219 BIGWWRSCQZRWQD-WIYYLYMNSA-N 380.421 4.392 0 1 GIAF COc1cccc(CC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587660582 PXXNHIQYOLEFIG-UHFFFAOYSA-N 388.398 4.094 0 1 GIAF COCCOC[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798096 XJSSMUPWIYVRBL-XIKOKIGWSA-N 388.321 4.027 0 1 GIAF COc1cccc(OC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587802207 PZWADSMUUIHZLD-VOJFVSQTSA-N 380.257 4.251 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C(=O)O)N1 587825432 DFJLPCQPFQUPOD-CWTRNNRKSA-N 392.268 4.035 0 1 GIAF Cc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCO2 587836860 XZHHMUGGWOFHRP-YPMLDQLKSA-N 378.241 4.249 0 1 GIAF Cc1nc2c(s1)[C@@]1(CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587855897 HFGNEZXWPNGRFA-XLFHBGCDSA-N 381.314 4.467 0 1 GIAF COc1ccccc1[C@]1(OCC2CCCCC2)SC=C(C)n2c1noc2=O 653886023 ZUVNBPCLFQEAHW-FQEVSTJZSA-N 388.489 4.208 0 1 GIAF COc1ccc2c(c1)[C@H](c1c(N)oc3cc(C)c(C)cc3c1=O)N(C(C)C)CC2 962094559 WNLDHAJGDOGOBG-JOCHJYFZSA-N 392.499 4.357 0 1 GIAF Cc1cc2c(cc1F)[C@@H](c1cccc(OCc3occc3C(=O)O)c1)NCC2 962148273 SOYPLOPDMQMEKY-OAQYLSRUSA-N 381.403 4.239 0 1 GIAF COc1cc(O)c(CCC(C)(C)OC)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2 1642676484 HJADWERUMWSKGN-SFHVURJKSA-N 386.444 4.171 0 1 GIAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1cn(CC(F)(F)F)c3ccc(F)cc13)C2 1772649021 KVUDAQWGSNNGMA-STQMWFEESA-N 384.373 4.125 0 1 GIAF CN(C)CCCNc1nc2ccccc2nc1-c1nc2cc(Cl)ccc2o1 1857543789 GYKRSFNFONVSCZ-UHFFFAOYSA-N 381.867 4.455 0 1 GIAF CCCc1ccc(OCC(=O)N(CC(=O)Nc2ccc(F)cc2)C(C)C)cc1 1857609373 CLJLSFDYPFJDDD-UHFFFAOYSA-N 386.467 4.033 0 1 GIAF Cc1ccc(F)cc1C(=O)Nc1nc2ccccn2c1C(=O)NC1CCCCC1 1857611311 LWCSAJYCNYJZAO-UHFFFAOYSA-N 394.450 4.097 0 1 GIAF Cc1nc2ccc(C(=O)NC(C)C)cc2n2c(-c3cc(F)ccc3Cl)nnc12 1857748504 QMQCTHDFQUUDHY-UHFFFAOYSA-N 397.841 4.184 0 1 GIAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCCC(=O)O 2356387551 YMDDELUTDBQEMT-YOUFYPILSA-N 382.541 4.255 0 1 GIAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCCCc4ccccc4)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356430166 OVHYDIJYSJGQRI-CSYHVJCOSA-N 378.512 4.476 0 1 GIAF COc1ccc2nc(C[C@@H]3CN(CC4CCCCC4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356708297 KPOZWSVWGXFOMS-QZTJIDSGSA-N 399.535 4.107 0 1 GIAF C[C@@H](C=CC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356838890 MEFHLJCGADQRRZ-VHJKAORFSA-N 388.548 4.462 0 1 GIAF COc1cc([C@@H]2c3cccc4cccc(c34)[C@H]3CCC(=O)N32)cc(OC)c1O 1654636 JQULMCAJNKZANR-VGOFRKELSA-N 375.424 4.329 0 1 GIAF CC1(C)[C@H]2C[C@H](CC(=O)CCCCC(=O)O)[C@@H](NC(=O)c3ccsc3)[C@@H]1C2 13521465 WXBHDVMBJLAGRA-WXSAJPJJSA-N 391.533 4.133 0 1 GIAF Cc1nc2c3c(c(C(=O)N4CCCC4)cn2c1C)CC[C@@H](c1ccccc1)O3 28867170 HQXAXINBUGBUIF-FQEVSTJZSA-N 375.472 4.253 0 1 GIAF Cc1cc(Cl)nc(N2C(=O)CS[C@H]2CC23CC4CC(CC(C4)C2)C3)n1 40914088 HBPTZHMMYXXMCH-AFRKLYKTSA-N 377.941 4.451 0 1 GIAF Nc1nc(N)c2c(n1)N[C@H](c1ccc(Cl)cc1)[C@@H]1CCc3ccccc3C1=N2 53298739 MSMNHRUJBYREDU-JKSUJKDBSA-N 390.878 4.144 0 1 GIAF CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(P(=O)(O)O)cn1 58575568 UKDQEYCWLCYRAP-UHFFFAOYSA-N 388.448 4.392 0 1 GIAF COc1cccc(-c2nccc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c23)c1 82078665 OVZISPJPUNXIJW-UHFFFAOYSA-N 391.427 4.326 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(Cl)cc4)ccc31)[C@@H]1CC[C@H](C2)N1 82152426 VOFKAUFBGMAVBB-DYVFJYSZSA-N 386.904 4.014 0 1 GIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc(C=O)cc3)C[C@@H]1O2 95553385 ZGUNEAKYTZXYFR-OHEPNIRZSA-N 393.483 4.131 0 1 GIAF C[C@H](O)c1ccc(-c2ccc3[nH]c4c(c3c2)-c2nc(N)ncc2CCC4)s1 95588713 GCMZPZNYQDSUCB-NSHDSACASA-N 376.485 4.478 0 1 GIAF C[C@@H](Nc1c(Nc2ccnc(-c3ccsc3)c2)c(=O)c1=O)c1ccccc1 100081700 IHKOUBVQGUHCQJ-CYBMUJFWSA-N 375.453 4.323 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4ccc(Cl)cc4)ccc31)[C@H]1CC[C@H](C2)N1 100632445 VOFKAUFBGMAVBB-CXAGYDPISA-N 386.904 4.014 0 1 GIAF CCc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)cc1 100705112 HSZLZWSDRCIMFO-UHFFFAOYSA-N 392.484 4.072 0 1 GIAF C[C@@]1(c2cccc(Nc3cc(F)cc4cc(Cl)cnc34)c2)COCC(N)=N1 143132334 WWCXRNBXEBTLSG-FQEVSTJZSA-N 384.842 4.374 0 1 GIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CC[C@@H](c2nc(C(F)(F)F)cs2)C1 169704983 MZEPFERSLWBFLU-NXEZZACHSA-N 395.410 4.496 0 1 GIAF CC(C)[C@]1(O)CC[C@]2(C)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)/C=C/c3ccccc3)[C@H]21 238764350 SLXJZNZUAGREQY-DCQCMUNHSA-N 384.516 4.366 0 1 GIAF CCC(=O)Oc1ccc([C@@H]2CC(=O)c3ccc(OC)cc3O2)cc1OC(=O)CC 299864111 LYJRTOMIVYVZHY-SFHVURJKSA-N 398.411 4.033 0 1 GIAF O=C1CCc2cc3nc(-c4csc(-c5ncccc5Cl)n4)[nH]c3cc2N1 587017811 PTDBQCHWYDBXGV-UHFFFAOYSA-N 381.848 4.287 0 1 GIAF Brc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cn1 587229501 HFTXPLASZFMFKS-UHFFFAOYSA-N 380.249 4.395 0 1 GIAF CC(=O)N(c1ccccc1)c1nc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 587415402 ZXWCLGJHZZTZEV-IBGZPJMESA-N 393.468 4.425 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(Br)cc(C)c41)[C@@H](C2)C3=O 587416506 CFJXLAANTHYKNU-YWZLYKJASA-N 385.257 4.355 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cn(C)c4ccc(Br)cc14)[C@@H](C2)C3=O 587419108 SIGJCIBJEMBDBN-XOBRGWDASA-N 398.256 4.438 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4ccc(N(C)C)cc41)[C@@H](C2)C3=O 587431158 ZBWMFYRLDXKJIF-SQJMNOBHSA-N 383.447 4.433 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccc(C)cc4)nc4ncccn14)[C@@H](C2)C3=O 587436023 MDCLROWTAQTCBC-GAJHUEQPSA-N 397.434 4.202 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)co1 587548219 TYVITHQHZAMPTF-QAPCUYQASA-N 387.185 4.451 0 1 GIAF CN(C)Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587571462 LEDAGPYIQSICEF-REWPJTCUSA-N 375.424 4.157 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)ccc1C2 587571965 STWKWRDOPABDLS-NFBKMPQASA-N 376.383 4.421 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)c2ccccc12 587586878 KZXSGANNPBSFRH-KNQAVFIVSA-N 385.375 4.349 0 1 GIAF CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600969 CGQVVUMPWVNYDS-DODAUVCRSA-N 378.424 4.118 0 1 GIAF CC1(C)C[C@]2(CC[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587607438 IOFOTBHXHWXJIZ-SRVWHDFXSA-N 382.412 4.004 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ncco2)N1 587775583 SAWAXWOMAUCWPE-HXPMCKFVSA-N 387.252 4.402 0 1 GIAF COCC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587798520 YNMJHNDTWXPWFP-BFUOFWGJSA-N 378.285 4.403 0 1 GIAF COC(=O)[C@@H]1CCC[C@]2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587804787 FPOUSTJVSHEOCW-SEDUGSJDSA-N 384.289 4.071 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(-c2cnco2)cc1 587870435 IGQVPZGKGXCVGM-UHFFFAOYSA-N 377.375 4.431 0 1 GIAF CN(C)S(=O)(=O)c1cccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587961729 OQOUQNFDGABCBN-UHFFFAOYSA-N 391.496 4.071 0 1 GIAF CCOc1cc(OC)cc2oc(-c3cn4nc(Br)sc4n3)cc12 653754916 NATPTYUSYMVCQX-UHFFFAOYSA-N 394.250 4.374 0 1 GIAF COc1ccc(-n2ncc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)c2C)cc1 963093682 ANWMQQRIOBVJBS-XXBNENTESA-N 377.463 4.438 0 1 GIAF COc1cccc(S(=O)(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1 1857551533 NMKFFXKUGSEUSG-UHFFFAOYSA-N 380.425 4.304 0 1 GIAF Cc1ccc(S(=O)(=O)N(CC2CCCCC2)c2ccc(C(=O)O)cc2)cc1 1857772918 LMINETRBBOSJJQ-UHFFFAOYSA-N 387.501 4.469 0 1 GIAF CC1(C)OC[C@H]([C@]2(C)CC[C@]3(C)[C@H](C2)C(=O)C[C@@H]2[C@@]4(C)CCC[C@@]23OC4=O)O1 2356723161 ZPFFGPITQXYMAE-FOEXGVKTSA-N 390.520 4.025 0 1 GIAF CC1=CC[C@H]2[C@@H]3C(=O)C[C@@H](O)CC(=O)O[C@@H](C)C=CC=C[C@@H](C)[C@H]3C=C[C@@H]2C1 2356805838 ZYCLTPPGAOTOGR-WDMIWYAJSA-N 384.516 4.165 0 1 GIAF O=C([C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCCC(C1CC1)C1CC1)N1CCCC1 13756425 WVUUFEZGBLYZCH-BVSLBCMMSA-N 386.580 4.375 0 1 GIAF CCCN1CCN([C@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1 22939509 IQBKPSJJCJIRLC-XMMPIXPASA-N 393.575 4.286 0 1 GIAF O=C1CC[C@]2(c3ccc(Cl)cc3)O[C@H](COc3ccc(Cl)cc3)CN12 27523051 QVYMPRKLMBGLMO-PKOBYXMFSA-N 378.255 4.246 0 1 GIAF COc1ccc([C@H]2CC=CCN([C@@H](CN3CCCC3)c3ccccc3)C2=O)cc1 28383873 UUZWUUSCTGUCEH-RPWUZVMVSA-N 390.527 4.404 0 1 GIAF Cc1cc(=O)[nH]c2ccc(OCc3cccc(C(=O)N4CCC(C)CC4)c3)cc12 45337790 YWDSBJTXXAHGQP-UHFFFAOYSA-N 390.483 4.288 0 1 GIAF O=C(NCCCSc1nc2ccccc2s1)NC(=O)Nc1ccccc1 64540047 CHVBNSGGRQBCLK-UHFFFAOYSA-N 386.502 4.310 0 1 GIAF CCN(CC)CCNc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1 66260203 CIMJGOFPRRZLKM-UHFFFAOYSA-N 391.515 4.170 0 1 GIAF COc1cc(CN(C)Cc2coc(-c3cccc(C)c3)n2)cc(OC)c1OC 72103297 OEQKUOSHZHWRJU-UHFFFAOYSA-N 382.460 4.308 0 1 GIAF COc1ccc(Nc2nc3ccccc3nc2S(=O)(=O)c2ccccc2)cc1 72126264 SQOCSAJECQUUKR-UHFFFAOYSA-N 391.452 4.215 0 1 GIAF COC(=O)COc1ccc2nc(CC(C)C)c(CN)c(-c3ccc(C)cc3)c2c1 72142547 HNNIJGNMLZILPU-UHFFFAOYSA-N 392.499 4.419 0 1 GIAF CN1CC[C@@H](NC(=O)Nc2ccc(Cl)cc2)C[C@@H]1c1nc2ccccc2[nH]1 84705574 XAJBFYACHVQOEW-CRAIPNDOSA-N 383.883 4.173 0 1 GIAF CCc1c(N[C@H]2CC[C@H](N)CC2)nc2ccnn2c1Nc1ccccc1Cl 101556578 GEGHZQQXQVCRQJ-OKILXGFUSA-N 384.915 4.371 0 1 GIAF Cc1ccc(O)c(C2=CC3=NNC(=O)[C@@H]3[C@@H](c3cccc(Br)c3)C2)c1 102958500 GVBRBUVRHJSWLW-VQIMIIECSA-N 397.272 4.136 0 1 GIAF Cc1ccc(-c2nnc(-n3c(-c4ccccc4)nc4ccccc4c3=O)o2)cc1 103204762 QWEYXFYUDZKHIU-UHFFFAOYSA-N 380.407 4.411 0 1 GIAF CSc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)CCC[C@@H]12 146488389 XGKBSGPWMHHATO-MVWRLGRASA-N 381.563 4.237 0 1 GIAF Cc1ccc(Nc2c(F)cccc2Cl)c(CNS(=O)(=O)C(F)(F)F)c1 203723445 MFWPLPXYGKCRTE-UHFFFAOYSA-N 396.793 4.470 0 1 GIAF Nc1nc2c(c(-c3ccccc3)n1)CCN(C(=O)c1cccc(Cl)c1Cl)C2 219435990 LSDSEBLWTUBBRZ-UHFFFAOYSA-N 399.281 4.231 0 1 GIAF COc1cc(Nc2c(-c3ccc(F)cc3)nc3cnccn23)cc(OC)c1OC 473169886 OPAARNVQZNJRDU-UHFFFAOYSA-N 394.406 4.305 0 1 GIAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(F)cc2[nH]1 586934865 BMWFZMOEDPKNEA-INIZCTEOSA-N 381.860 4.031 0 1 GIAF FC(F)(F)c1cccc2nc(-c3cnn4cc(Br)cnc34)[nH]c12 587007014 WJIUESOCDAOGKI-UHFFFAOYSA-N 382.143 4.054 0 1 GIAF COc1cnc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1Cl 587064678 MDBUCHIBJUVQGT-UHFFFAOYSA-N 378.688 4.336 0 1 GIAF CCS(=O)(=O)c1ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 587069388 JMKBLASMBXKZDP-GFCCVEGCSA-N 390.892 4.386 0 1 GIAF CN1CCN(c2ccc3nc(-c4cccc(F)c4C(F)(F)F)[nH]c3c2)CC1 587098015 ONPUXRCEXSTVTO-UHFFFAOYSA-N 378.373 4.140 0 1 GIAF Fc1ccc(-c2cn3c(Cc4nc5c(Cl)ncnc5[nH]4)csc3n2)cc1 587166674 ZWESERQAGKYFTP-UHFFFAOYSA-N 384.827 4.112 0 1 GIAF Cc1cc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2cc1C 587183984 MWMWVTXXJMPLEA-CQSZACIVSA-N 391.256 4.027 0 1 GIAF CN(C)CCOc1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587231514 BJERLTDJEFBOKB-UHFFFAOYSA-N 390.487 4.053 0 1 GIAF CCCCOc1cc2nc(-c3c(N)cccc3O)[nH]c2cc1Br 587250320 MPWQQRAUYSFVLI-UHFFFAOYSA-N 376.254 4.459 0 1 GIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1N 587336704 OFNPKULKXFIKJG-GGAORHGYSA-N 393.414 4.396 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCC[C@H]4CN(Cc5ccccc5)C[C@H]41)[C@@H](C2)C3=O 587440480 ACRXBELIDJNDKF-PPPPCMEOSA-N 389.495 4.114 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cccc(OC(=O)c4ccccc4)c1)[C@@H](C2)C3=O 587443000 NPXVKAVJHVCDEJ-WMZHIEFXSA-N 386.403 4.403 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C=O)cc3c1N(C)CCC3)CC2=O 587477288 XDQGLGRDQLZWLT-NRFANRHFSA-N 379.456 4.246 0 1 GIAF CCCn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587583014 SSIISAGHFMPEET-SIKLNZKXSA-N 378.428 4.184 0 1 GIAF Cc1ccnc2c1c([C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)cn2C 587583439 WHQRYCUPGNJFER-UGKGYDQZSA-N 386.407 4.290 0 1 GIAF C[C@]12CC(=O)C[C@@]1(C)C[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600890 BWQKPZMEIVXVLJ-IITNATTFSA-N 378.424 4.262 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611477 ROODJOLIXQIFJP-REWPJTCUSA-N 390.391 4.040 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2snnc2c1 587617871 LKKYTLSOZXSKPB-YLJYHZDGSA-N 376.393 4.100 0 1 GIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1cc(Br)cn1 587621136 PGZRGMXRQPCKPZ-UHFFFAOYSA-N 395.058 4.063 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc3ccc(F)cc3[nH]2)N1 587736400 VWOQTPJOBAXSLJ-NIVTXAMTSA-N 392.247 4.401 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cncnc2)N1 587777760 JMBGQLNBIPKHON-XCLFUZPHSA-N 398.279 4.204 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2scc3c2OCCO3)N1 587851271 IEYAAPFTIAJDIW-XLKFXECMSA-N 384.270 4.045 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCc1ccco1 587866912 MKLFKQVMVKGCOY-UHFFFAOYSA-N 395.406 4.483 0 1 GIAF CC[C@H](Cc1ccc(C(=O)NCc2ccccc2OC(F)(F)F)cc1)C(=O)O 653793304 RMSIGOGMZNVDQZ-CQSZACIVSA-N 395.377 4.169 0 1 GIAF C[C@]1(c2ccc(Br)c(N)c2)c2c(F)cccc2C[C@@H]2CCCN21 963112106 WOWJBJYABQAFFF-LIRRHRJNSA-N 375.285 4.454 0 1 GIAF CC[C@@H](C)NC(=O)c1c(NC(=O)c2ccc(Cl)cc2)nc2ccc(C)cn12 1857614253 MFZALZISRRQGEB-CYBMUJFWSA-N 384.867 4.077 0 1 GIAF Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C(=O)NC2CCCCC2)c1 1377979 UAUHAXQFAHPNTI-SFTDATJTSA-N 383.536 4.153 0 1 GIAF Nc1cccc(/C(=C\c2c(C(=O)O)[nH]c3cc(Cl)cc(Cl)c23)C(=O)O)c1 6716616 USURZSFXCSIVBV-YRNVUSSQSA-N 391.210 4.380 0 1 GIAF O=C1C[C@@H](c2ccccc2)c2c(O)cc(O)c(C(=O)CCc3ccccc3)c2O1 13397213 AFAVBHVAMSRTSZ-KRWDZBQOSA-N 388.419 4.354 0 1 GIAF biogenic O=C(CC[C@@]1(Cc2cccc3ccccc23)CCC(=O)N1)NCc1ccccc1 14881319 DYKSKNKRHIWMCK-VWLOTQADSA-N 386.495 4.128 0 1 GIAF Fc1cc(COC[C@@H](c2ccccc2)N2CCNCC2)cc(C(F)(F)F)c1 22926773 CWXSJSDJJDAMBU-IBGZPJMESA-N 382.401 4.008 0 1 GIAF O=C(O)c1cccc(Cc2cc(Cl)cc(Cc3ccccc3O)c2O)c1O 27089733 KJONIOGJZKQNAZ-UHFFFAOYSA-N 384.815 4.337 0 1 GIAF COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)ccc(F)c2F)cc1F 28364316 VAVYTEMFUFRIBJ-UHFFFAOYSA-N 393.386 4.094 0 1 GIAF CCNC(=O)OC[C@H](Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 45386654 PCIBKAPYDVLZRH-INIZCTEOSA-N 383.473 4.052 0 1 GIAF CN(c1cc2ncc(=O)[nH]c2cc1NC(=O)Nc1ccccc1)C1CCCCC1 72105969 SZQSYCJOEBHLDV-UHFFFAOYSA-N 391.475 4.336 0 1 GIAF O=C(c1ccccc1)c1ccc(Oc2cc(NC[C@H]3CCCO3)ncn2)cc1 82067850 YWWCODJJTMZWCX-LJQANCHMSA-N 375.428 4.091 0 1 GIAF CN(CC(=O)OCCC1CCCCC1)C(=O)c1csc(-c2ccccc2)n1 82073988 PXHCYDAJZRSGTM-UHFFFAOYSA-N 386.517 4.396 0 1 GIAF Clc1ccc(-c2nc3c(NCC4CC4)ncnc3n2C[C@@H]2CCCO2)cc1 82179486 HSMWJVCGHQWTJB-INIZCTEOSA-N 383.883 4.148 0 1 GIAF Cc1ccc(F)cc1C(=O)Nc1ccc(N2CC[C@@H](N3CCC[C@@H]3C)C2)cc1 96929241 VRGKQMUSWKTAOP-LAUBAEHRSA-N 381.495 4.449 0 1 GIAF O=C1C[C@@H](c2ccc(Cl)cc2)C(=O)N1CN1CCC(Cc2ccccc2)CC1 103155038 KXQGYEFGVKCTTA-NRFANRHFSA-N 396.918 4.095 0 1 GIAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCC[C@H]2C)cn1 142762778 HTERIYKSTDJXFS-OAHLLOKOSA-N 377.444 4.249 0 1 GIAF O=C(O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1 164776671 ULIKKQBJBPGDKX-UHFFFAOYSA-N 375.359 4.320 0 1 GIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc2c(c1)CCCN2 167049641 CNZJIRFXWPIYAV-IBGZPJMESA-N 380.488 4.316 0 1 GIAF Cc1nc(Nc2ncnc3c2C[C@H](O)CC3)oc1-c1ccc(C(F)(F)F)cc1 169705005 FFKHGYNBJXNICJ-CYBMUJFWSA-N 390.365 4.052 0 1 GIAF O=C1c2ccc(F)cc2C[C@@H]1CCN1CCCN(c2ccc(Cl)cc2)CC1 169726176 TUSPVTWVRDALHT-INIZCTEOSA-N 386.898 4.437 0 1 GIAF CCCCC(C)(C)[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 195380101 MZFSUBMVKUYQSC-YFTQUVSVSA-N 392.536 4.102 0 1 GIAF C[C@H]1CN=C(c2ccc(-c3ccc(-c4ccc(C5=NC[C@@H](C)N5)cc4)o3)cc2)N1 196125350 SKVJKTUZAHUVPO-IYBDPMFKSA-N 384.483 4.090 0 1 GIAF CCOc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 253867381 ZMGRVWMXWPRHFE-GLOJMNGXSA-N 381.564 4.198 0 1 GIAF COc1cc(NC(=O)CCCCCOc2cccc(Br)c2)ccn1 299856432 BXBMDRCBAPAWQP-UHFFFAOYSA-N 393.281 4.431 0 1 GIAF O=S(=O)(Cc1ccccc1-c1nc2cc(Cl)cnc2[nH]1)c1ccccc1 586922400 UGXKAHWBELQQKE-UHFFFAOYSA-N 383.860 4.252 0 1 GIAF N[C@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(Br)cc1 586997762 UMVNSHRJUCAFLU-MRVPVSSYSA-N 388.162 4.124 0 1 GIAF O=C1C[C@@H](Cc2nc3cc(F)c(F)cc3[nH]2)c2c(Br)cccc2O1 587003723 NLCPGZZWBAHMBJ-MRVPVSSYSA-N 393.187 4.239 0 1 GIAF CC(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587004559 WVWUHYKDTXRLNU-LBPRGKRZSA-N 399.244 4.163 0 1 GIAF Fc1c(F)c(F)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1F 587006308 DMTJTWXLOUJVKQ-UHFFFAOYSA-N 385.118 4.425 0 1 GIAF CCOC(=O)[C@@H](CCOC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096947 MKTTXTYIONSBKA-KRWDZBQOSA-N 389.451 4.438 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(F)c(F)c(F)c(F)c3[nH]2)C(F)(F)C1 587132064 ILTURZLOTAXBAZ-LURJTMIESA-N 395.303 4.089 0 1 GIAF Nc1cccc2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333150 HUVDAZJFLIPSBA-FYYLOGMGSA-N 375.399 4.314 0 1 GIAF COC(C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC 587346651 JXNFGQIAMWBCQP-RBBKRZOGSA-N 388.435 4.294 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc3c1cnn3[C@@H]1CCCCO1)O2 587389993 FAYZUXPCFJDNBI-RTWAWAEBSA-N 377.444 4.333 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)NCCCc1ccccc1)CC2=O 587467543 ATIJNSQCMCTSFM-DEOSSOPVSA-N 395.499 4.208 0 1 GIAF CCCc1c(O)ccc2c1O[C@H]([C@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O 587482133 ZEXPZTWPNLPCDJ-LIRRHRJNSA-N 389.492 4.326 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cn1ccnc1)c1ccccc1 587576314 IOSDMBHQPGTWON-XUZZJYLKSA-N 398.418 4.146 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccn(C)c2)(C(F)(F)F)N1 587708289 ARDPKOQVCUJULI-VFZGTOFNSA-N 391.206 4.267 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C(F)(F)F)nc2)N1 587710139 BVNDBFMLBVBMNI-CPFSXVBKSA-N 390.178 4.021 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(C)(C)N2C[C@@H](C)O[C@H](C)C2)N1 587771753 XNDROEKPQBQDEU-JJFYZRJRSA-N 399.348 4.051 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2nccs2)N1 587854255 QWUWQMDCAAZUEX-HWPZZCPQSA-N 392.297 4.459 0 1 GIAF CCCC[C@]1(CCC(=O)OCC)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962566945 JMAFCZWIGMWFBF-ZHRRBRCNSA-N 377.525 4.309 0 1 GIAF COc1cccc(O[C@H](C)[C@@]2(C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c1 962629642 HZVZXYWTNQZUJQ-LNPFQXMTSA-N 385.504 4.272 0 1 GIAF C[C@]1(C[C@@H]2C[C@H]3CC[C@H]2C3)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962699362 JEKBDXZJHVDPCL-CANUPRACSA-N 385.401 4.485 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@]21CCC[C@H](NC(=O)OC(C)(C)C)C1 963268980 CPLSKAVPSXNBBE-RBZFPXEDSA-N 380.916 4.157 0 1 GIAF CCOC(=O)c1ccc([C@@]2(c3ccsc3)NCCc3ccc(O)cc32)cc1 963329655 QHPUOARTKJJDOR-QFIPXVFZSA-N 379.481 4.068 0 1 GIAF CC(=O)Oc1c(C(C)C)cc2c(c1OC(C)=O)-c1cccc3c1[C@@H](C2)N(C)CC3 1857590412 KFEHEEITVOEJOF-HXUWFJFHSA-N 393.483 4.413 0 1 GIAF CCCCC[C@@H]1C=C[C@@H]2[C@H](OC(C)=O)C[C@H](O)[C@@H]2CC=CCCCC(=O)O1 2356495066 DKLUJLHAYRSKSQ-CRSSMBPESA-N 378.509 4.094 0 1 GIAF O[C@@]12CCCC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)N(Cc1cccc(F)c1)CC2 6576853 ORZUIMGMXAQGPX-UEVCKROQSA-N 383.463 4.423 0 1 GIAF COc1ccc(C(=O)c2c(C)n([C@H](C)CN3CCOCC3)c3ccccc23)cc1 13742525 YKMQWFRCMFOWQD-QGZVFWFLSA-N 392.499 4.083 0 1 GIAF CC(C)(C)OC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26398423 NBHMWIWFTLXHNU-SGQJWYDZSA-N 375.553 4.466 0 1 GIAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C(=O)O)cc1 28221190 RTPVMUOYACTWOC-UHFFFAOYSA-N 376.434 4.174 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCC(=O)O 28536345 CJQNBXFUHQZFOE-ALOMXMGUSA-N 388.504 4.295 0 1 GIAF biogenic C=Cc1cn([C@H](C)C2CC2)c(=O)c(Nc2ccc(OC)nc2C(F)(F)F)n1 43011234 JMQYLHGZQVTSCA-SNVBAGLBSA-N 380.370 4.023 0 1 GIAF CCC1=C(C(=O)OCC2CCCCC2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 73298643 BLAYJFQGHDTHFO-GOSISDBHSA-N 376.884 4.482 0 1 GIAF CC[C@@H](Sc1ccc(-c2ccccc2)nn1)C(=O)N(C)c1nc(C)cs1 84758921 PIRGLDZWHLDHMU-MRXNPFEDSA-N 384.530 4.442 0 1 GIAF COC(=O)[C@@H]1[C@@H](O[C@H](c2ccccc2)c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C 142255417 KVVSZDPIQNKZIJ-MFKCLSPESA-N 379.500 4.125 0 1 GIAF CSc1ccc2c(Cc3cccc(C(=O)O)n3)c(-c3ccccc3)nn2c1 203415721 CGINOEKNGJTGSQ-UHFFFAOYSA-N 375.453 4.407 0 1 GIAF CCc1cnc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1O 299872028 ZSRGYACIUUWXBT-UHFFFAOYSA-N 390.390 4.096 0 1 GIAF CCS(=O)(=O)c1cccc(Cc2nc3ccc(Br)c(C)c3[nH]2)c1 586921985 JOEHUDKJLBBIRG-UHFFFAOYSA-N 393.306 4.018 0 1 GIAF Cc1c(F)ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c12 586935718 GDMAHSWEPMDMAQ-MRXNPFEDSA-N 395.887 4.339 0 1 GIAF COc1cccc(-c2ccc(-c3nc4c(O)nc(S)nc4[nH]3)c(Cl)c2)c1 587052432 TYBTWXQIDFUXGV-UHFFFAOYSA-N 384.848 4.343 0 1 GIAF FC(F)(F)c1nc2ccc(-c3nc4ccnc(Br)c4[nH]3)cc2[nH]1 587120436 IWFGHVRHIVSUAX-UHFFFAOYSA-N 382.143 4.283 0 1 GIAF Cc1nccn1CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339234 FMNKPPNQGBJWFV-RBBKRZOGSA-N 380.419 4.244 0 1 GIAF Cc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587349387 PSLHTDFWNCCELN-OFNKIYASSA-N 389.382 4.046 0 1 GIAF CCOC(=O)c1ccc(-n2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587389883 KTENYXHIQMKXAK-NRFANRHFSA-N 390.439 4.251 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C[C@@H]4CC[C@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O 587445628 XDEMCNWSWVAFAD-KBVWPGPTSA-N 375.468 4.008 0 1 GIAF CCn1ncc(Cl)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545007 FYNKLVBQYIZGTK-JXFKEZNVSA-N 384.819 4.139 0 1 GIAF COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587554602 LAYQUSRXYWABQL-RXVVDRJESA-N 394.354 4.021 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCCF)c1 587556909 PLIWUTDOFKEAJK-UGKGYDQZSA-N 380.371 4.443 0 1 GIAF C[C@@]1(COc2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566951 CNPBRRZKYBHUNX-KNQAVFIVSA-N 398.361 4.470 0 1 GIAF COc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587567120 DTQLVSGIAQXIID-AVRDEDQJSA-N 380.371 4.417 0 1 GIAF C[C@@]1(CCc2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605565 BCVWCFBXAAQHGQ-OFNKIYASSA-N 376.408 4.451 0 1 GIAF COc1cc2c(cc1F)[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587734920 SPRIVNGXDUSLEG-OVWNDWIMSA-N 394.259 4.460 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3oc(CO)cc3c2)N1 587833855 PKSBZQLYFCZFFY-APBUJDDRSA-N 390.252 4.450 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3c(O)cccc32)N1 587835718 XRBCIJUARVQXOI-NSPYISDASA-N 376.269 4.408 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccccc3c2=O)N1 587844306 XDMUPPDWCGBSNB-XTZNXHDOSA-N 388.236 4.318 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nnc(C(F)(F)F)s1 587862014 ZJVHTNUHMWNJAL-UHFFFAOYSA-N 394.300 4.437 0 1 GIAF COc1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)ccc1OC(F)F 587873727 IIZIROFAUDHUMS-UHFFFAOYSA-N 376.290 4.093 0 1 GIAF Cc1sc2c(c1C)CCN[C@@]2(c1cccc(CN2CCOCC2)c1)C1CCC1 963014779 VACDQOHCCOWPRU-XMMPIXPASA-N 396.600 4.387 0 1 GIAF Cc1cc2c(o1)CCC[C@]21N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963180174 POOCVAPDNDYAOQ-UGSOOPFHSA-N 399.796 4.439 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccc(C)cn1)c1ccccc1F 963611880 QZUHMROUOPXQPA-VOIUYBSRSA-N 392.474 4.372 0 1 GIAF O=C(c1cccc(OC2CCN(Cc3ccc(F)cc3)CC2)c1)N1CCCC1 12429917 MGNDUAFPXNSLLH-UHFFFAOYSA-N 382.479 4.105 0 3 GIAF COc1ccccc1CNC(=O)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 203475181 NJHGCGPEDAULRM-UHFFFAOYSA-N 398.894 4.314 0 3 GIAF CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NC[C@H](O)CC 773477 RXOBIUPJBAPPGM-MRXNPFEDSA-N 398.434 4.047 0 1 GIAF O=C(O)c1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCCCC2)cc1 27560389 GTRVUSALGJUXCA-UHFFFAOYSA-N 386.879 4.001 0 1 GIAF CCCCN(CCCC)c1c(N)cc(S(=O)(=O)Nc2ccccc2)cc1N 28862766 PVWVSPGNEFJKCQ-UHFFFAOYSA-N 390.553 4.058 0 1 GIAF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)C4=O 40430461 NCBNKUDLJLORAA-UQRNBJPMSA-N 376.537 4.140 0 1 GIAF CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)c(F)c1 43074781 PLQNYRUXMGGNNC-UHFFFAOYSA-N 394.490 4.254 0 1 GIAF CCC(C)(C)C(=O)Cc1cc(C)c(C)c(S(=O)(=O)N2CCCCCC2)c1 66066308 ZZMJROLSIGTPMN-UHFFFAOYSA-N 379.566 4.416 0 1 GIAF Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1ccc(F)cc1F 72181281 LMSQTWMKTBZNTA-UHFFFAOYSA-N 394.377 4.330 0 1 GIAF OCCN1CCn2c(CCc3ccccc3)c(C(F)(F)F)c3cccc(c32)C1 146262139 FJNIFRWFQXCKTF-UHFFFAOYSA-N 388.433 4.253 0 1 GIAF Cc1cc2nc(N[C@H]3CC[C@H](N)CC3)cc(Nc3ccc(F)c(Cl)c3)n2n1 254093940 UZFSNHVYEFHDBN-JOCQHMNTSA-N 388.878 4.256 0 1 GIAF CCCOc1cc2nc(-c3cnc([C@H](C)O)s3)[nH]c2cc1Br 587022663 UNISNVSVZPPZOU-QMMMGPOBSA-N 382.283 4.291 0 1 GIAF CC1CCN(S(=O)(=O)c2ccc(C(=O)c3coc4ccccc34)cc2)CC1 587280854 CVIUOUSESTZLKJ-UHFFFAOYSA-N 383.469 4.084 0 1 GIAF O=C1c2ccc(O)cc2O[C@@](CO)(c2ccccc2Cl)[C@@H]1c1ccc(F)cc1 587327961 IUYGXEXURBGFEY-IRLDBZIGSA-N 398.817 4.431 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(C)cc(C)c(COC(C)=O)c1C)[C@@H](C2)C3=O 587442710 KSPXHCJFSOXWPZ-SBUREZEXSA-N 380.440 4.172 0 1 GIAF CCn1cc(Br)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587500366 WLUSEODDDCWXIR-LJQANCHMSA-N 389.293 4.425 0 1 GIAF O=C1C[C@@]2(CC3(CCNCC3)Oc3ccccc32)Oc2c1ccc1c2CCCC1 587523010 GLDRJZYCDGUGJQ-VWLOTQADSA-N 389.495 4.331 0 1 GIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1O 587545171 OGJZOZQFPGFMGA-UTKZUKDTSA-N 398.798 4.463 0 1 GIAF COc1nccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548846 YEFFDRJROXWUBQ-APWZRJJASA-N 383.787 4.152 0 1 GIAF CC(C)COc1cccc(OCc2nc3c(Br)ccnc3[nH]2)c1 587566183 ZLUFYGOMDUGSJW-UHFFFAOYSA-N 376.254 4.334 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccc(-c2cccnc2)n1 587661073 LZHJGRMQKPJEPC-UHFFFAOYSA-N 395.397 4.044 0 1 GIAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(F)c1O 587721239 PHBDBZNHJBEVKF-PWJLMRLQSA-N 384.220 4.065 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc3ccc(F)cc3[nH]2)N1 587731847 LJFDKLLFIUBXKA-ZKANADHPSA-N 378.220 4.227 0 1 GIAF CC(=O)Nc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587744646 SDLUWVHIYDNIFY-MLCYQJTMSA-N 377.257 4.170 0 1 GIAF COc1cccc(Cc2nc3c(Br)cnc(Br)c3[nH]2)c1 587930014 FKEJZIZIHQAXNW-UHFFFAOYSA-N 397.070 4.082 0 1 GIAF Clc1cc(Cl)c2c(c1)[C@@H](C1CCN(Cc3cccnc3)CC1)NCC2 963101351 AQSOXUNRQPUAJM-HXUWFJFHSA-N 376.331 4.487 0 1 GIAF Oc1ccc2c(c1)[C@](c1cccc(Br)c1F)(C(F)(F)F)NCC2 963353274 PPECQJDVBUTSHM-OAHLLOKOSA-N 390.174 4.245 0 1 GIAF COc1cc(CCCOC(C)=O)cc2c(C=O)c(-c3ccc4c(c3)OCO4)oc12 1772651608 BIVAFLPUKUIBPG-UHFFFAOYSA-N 396.395 4.145 0 1 GIAF C[C@@]12CC[C@@H]3[C@]4(C)CCC[C@@](C)(C(=O)N5CCOCC5)[C@@H]4CC[C@]3(CC1=O)C2 61959360 XMRZFKRYGMRYPA-IETBVJFISA-N 387.564 4.217 0 3 GIAF COc1ccccc1NC(=O)C[C@]1(C)N=C(c2cccc3ccccc23)N(C)O1 205228323 UXWWTBZRPSABKI-HSZRJFAPSA-N 389.455 4.217 0 3 GIAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 773965 FGAOEUNBOXDURT-IRXDYDNUSA-N 398.484 4.112 0 1 GIAF COc1ccc(C(=O)O[C@@H]2C[C@@H]3[C@H](C=C2C)C(C)(C)CCC[C@]3(C)O)cc1O 6624450 NHNLUSZGALQDIN-XHDSLABCSA-N 388.504 4.470 0 1 GIAF biogenic O=C(NCCc1ccc(F)cc1)c1cc(/C=C\c2cc(O)ccc2O)ccc1O 13518037 UVITVCIUDMGGEQ-KTAJNNJTSA-N 393.414 4.085 0 1 GIAF Cn1c2c(c3cc(OC(F)(F)F)ccc31)[C@H](CNC(=O)C1CCC1)CCC2 13777815 MFLQEGRSLZWVOI-ZDUSSCGKSA-N 380.410 4.413 0 1 GIAF COc1c2ccoc2c(OC/C=C(\C)C[C@@H]2C=C(C)C(=O)O2)c2oc(=O)ccc12 15215407 BSOQPQBWWASEBU-TZWLIRKLSA-N 396.395 4.135 0 1 GIAF O=C1NC(=O)[C@H](Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)S1 26578578 XYGXMWGZJXIRGT-KRWDZBQOSA-N 396.493 4.283 0 1 GIAF COc1c2ccoc2c(CN2CCOCC2)c2oc(-c3ccccc3)cc(=O)c12 28712681 YQPPIOZWEUNTFT-UHFFFAOYSA-N 391.423 4.047 0 1 GIAF N[C@@H]1CN(c2nccc(-c3ccsc3)n2)C[C@@H]1c1ccc(Cl)cc1Cl 28899529 ISIAZPQCRKPGLU-GDBMZVCRSA-N 391.327 4.443 0 1 GIAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ncccc2C)/C1=C(/O)OCCc1ccccc1 29482652 OOGCJMZCAXYUBX-ODXGNSPJSA-N 393.443 4.485 0 1 GIAF Fc1ccc(Sc2ncnc3ncn([C@@H]4COc5ccccc5CO4)c23)cc1 40392266 BTHZWXRCLLHCBA-KRWDZBQOSA-N 394.431 4.224 0 1 GIAF OCC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1 40934312 NTOXQUBAGYBHEG-UHFFFAOYSA-N 384.501 4.172 0 1 GIAF COCCn1c(S)nnc1-c1cnc2c(C(F)(F)F)cccc2c1Cl 45286594 FQKOUYSZSLZPQP-UHFFFAOYSA-N 388.802 4.101 0 1 GIAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)N[C@H](C)C(C)(C)C)cn1 71281358 PYUKVRINYBQHCX-CQSZACIVSA-N 397.494 4.253 0 1 GIAF O=S(=O)(c1ccccc1)c1cnc2nc3ccccc3n2c1-c1ccccc1 72119645 MSBUPVFVHSKTPC-UHFFFAOYSA-N 385.448 4.382 0 1 GIAF COc1cccc(-c2nc(CN(C)Cc3cc(OC)c(OC)c(OC)c3)co2)c1 72184212 LALFQVNUUCHFIR-UHFFFAOYSA-N 398.459 4.008 0 1 GIAF COC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccnc4nc[nH]c34)cc2)c1 73257619 KOIZCQULZQIWHY-UHFFFAOYSA-N 387.399 4.056 0 1 GIAF Cc1ccc(CNc2ncc(C(=O)N3CCCCC3)c(-c3ccccc3)n2)o1 82133150 GSAOSXZFECCWLJ-UHFFFAOYSA-N 376.460 4.283 0 1 GIAF CCN1C(=O)[C@](CC)(N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21 96299797 UTXCMSKCFYPXAI-HSZRJFAPSA-N 397.950 4.130 0 1 GIAF O=c1cc(C2=CC=C[C@H]3Sc4ccccc4S[C@@H]23)oc(N2CCOCC2)c1 103044733 IQDUOPZMLAKYOJ-CTNGQTDRSA-N 397.521 4.065 0 1 GIAF O=C(Nc1sc2c(c1C(=O)Nc1ccccn1)CCC2)c1ccccc1F 103239384 SPMNBMGIDDLRNT-UHFFFAOYSA-N 381.432 4.276 0 1 GIAF C[C@H](O)[C@H](CCCCCCC(=O)O)CCC[C@@H](O)COc1ccc(F)cc1 169316956 XOKYYLJNBXELLF-YQVWRLOYSA-N 384.488 4.158 0 1 GIAF Cc1ccc(-c2csc(NC(=O)c3cccc(-n4c(O)ccc4O)c3)n2)o1 169691694 NGACOZCFBDDUFD-UHFFFAOYSA-N 381.413 4.166 0 1 GIAF O=C(Nc1ccc(C2CCCCC2)cc1)[C@H]1C(=O)O[C@H](Cc2ccccc2)C1=O 169727245 OSAPJMWJJQLGLB-RTWAWAEBSA-N 391.467 4.026 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](OC(C)=O)C(=O)[C@]4(C)CC[C@H]32)C1 255282880 YALOOLVBDYZGLY-FYIXJZPISA-N 390.520 4.072 0 1 GIAF O=C(Nc1ncnc2nc[nH]c12)c1cccc(-c2cccc(-n3cccc3)c2)c1 263621136 VPRBXPQTUPUOMQ-UHFFFAOYSA-N 380.411 4.063 0 1 GIAF in-vitro C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586960499 CJTWDOATPUZVNP-NSHDSACASA-N 379.445 4.286 0 1 GIAF C[C@@H]1CCCCN1C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987409 ALDZTQQQRGTWRB-CQSZACIVSA-N 386.451 4.095 0 1 GIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587162383 BPLMCCWIVQWXDS-OAHLLOKOSA-N 384.199 4.394 0 1 GIAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 587193690 DWILIKFZKQWEFB-GFCCVEGCSA-N 387.311 4.387 0 1 GIAF CC(=O)c1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587341355 WEIVQBBPCUFNOK-GMAHTHKFSA-N 391.398 4.403 0 1 GIAF CC1(C)[C@@H]2C[C@H]1[C@@](C)(O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346826 AJVUKXMVTFSSAH-XBWYGWMDSA-N 396.458 4.446 0 1 GIAF Cc1cccc2c1NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347720 MNALEWGDFAGVRH-AUSIDOKSSA-N 389.382 4.046 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc4cccc(Br)c4n1)[C@@H](C2)C3=O 587417733 PHIFOAPCSFBYMM-RNODOKPDSA-N 396.240 4.495 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCOc4c(Cl)cc(Cl)cc41)[C@@H](C2)C3=O 587421858 NVAMZHHNDMFIHX-BUXKBTBVSA-N 377.223 4.427 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCc4c(Br)cc(F)cc41)[C@@H](C2)C3=O 587428062 LSPQKMXICMWBKY-IFXJQAMLSA-N 389.220 4.186 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccc(Cl)cn12 587552918 TUIRDKOKOIUXBJ-NQIIRXRSSA-N 392.798 4.396 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2cccn2)cc1 587581139 KESFOUOJDNZVHY-NZQKXSOJSA-N 384.391 4.281 0 1 GIAF C[C@@H]1CCCN(CC(C)(C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587581670 ITDZYWSVVQIFQB-CGYQNGNCSA-N 395.499 4.481 0 1 GIAF COc1cccc(C(=O)c2c(C(F)(F)Cl)[nH]c3c(C(=O)O)cccc23)c1 587637863 FZDDIRRVQBYJJQ-UHFFFAOYSA-N 379.746 4.394 0 1 GIAF CC(C)NC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587739365 AVGOFQUGMCZWBB-VLIAUNLRSA-N 391.328 4.364 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-n2ccnc2)N1 587755725 QHKWKGVERZBMFT-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF COC(=O)[C@H]1CC[C@H]([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587805176 HCIIHDDHLBZICY-BDBYMAIGSA-N 384.289 4.143 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc(O)ccc32)N1 587834422 RWNSKNOEJHOMIU-WYRIXSBYSA-N 376.269 4.408 0 1 GIAF CC(C)(CC(=O)O)Cc1nc2c(Br)ccc(Br)c2[nH]1 587954836 BBIHAEKTQGDOBL-UHFFFAOYSA-N 390.075 4.131 0 1 GIAF CC[C@]1([C@@H]2CCOC(C)(C)C2)c2cc(OC)ccc2CCN1CCCOC 961327715 UGSGCHJRXUBCCI-XXBNENTESA-N 375.553 4.400 0 1 GIAF Cc1c(F)ccc2c1[C@@]1(CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C1)NCC2 962141941 CKOYSFIHCXRLKD-OSPHWJPCSA-N 392.474 4.104 0 1 GIAF CCOC(=O)c1ccc([C@@]2(c3ccco3)NCCc3cc(C)c(F)cc32)s1 962148179 RHEBPEKGLMERHS-OAQYLSRUSA-N 385.460 4.403 0 1 GIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2csc(Cl)c2)N1 962704115 UILYDCIMDPTAAZ-AAEUAGOBSA-N 379.762 4.248 0 1 GIAF Cc1ccnc([C@]2(c3cccc(Cl)c3)NCCc3c2c(C(C)C)nn3C)c1 962913148 QTIAECQWWGNBPL-QFIPXVFZSA-N 380.923 4.338 0 1 GIAF CCN(CC)c1cccc(Br)c1[C@H]1NCCc2ccc(O)cc21 963344170 ZZCSKODZLCUPAE-IBGZPJMESA-N 375.310 4.236 0 1 GIAF O=S(=O)(c1cccc2ccccc12)n1cc2cc(CO)oc3cccc1c23 1772648775 QAEUAJQTMDSELV-UHFFFAOYSA-N 377.421 4.270 0 1 GIAF CC=Cc1cc(OC)c(O[C@@H](C)Cc2cc(OC)c(O)c(OC)c2)c(OC)c1 2356466501 INGQOQQCQKLKSZ-AWEZNQCLSA-N 388.460 4.470 0 1 GIAF COC(=O)c1cccc2c1C=C1c3[nH]c4ccccc4c3CCN1[C@@H]2CC(C)=O 2356505103 RESGGADDKRTEFU-OAQYLSRUSA-N 386.451 4.345 0 1 GIAF COc1cccc(C(=O)[C@H]2CCCN(CC3=Cc4cc(OC)ccc4OC3)C2)c1 13593355 OZOBZXYHHIYAJK-IBGZPJMESA-N 393.483 4.075 0 3 GIAF CCCCN(CCCC)C(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12 13644280 VYZHAKMQCIOUER-UHFFFAOYSA-N 396.579 4.337 0 1 GIAF O=C(Nc1ccc([C@@H](O)CO)c(C(F)(F)F)c1)c1cc2cc(Cl)ccc2[nH]1 40956505 YWSABJGARDVRIO-INIZCTEOSA-N 398.768 4.118 0 1 GIAF OC[C@H]1CCCN(CC2CCN(CC(c3ccccc3)c3ccccc3)CC2)C1 72179939 BCIFCEPRKOBVIM-QHCPKHFHSA-N 392.587 4.235 0 1 GIAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82136374 FTLKSZLFZTTWRC-DNVCBOLYSA-N 382.483 4.191 0 1 GIAF FC(F)(F)c1cccc(N2CCN(CCCc3ccc4nc[nH]c4c3)CC2)c1 98085496 JUIVFKDKROMYLN-UHFFFAOYSA-N 388.437 4.337 0 1 GIAF CC(C)(C[C@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1cc(F)ccc1O 103250768 RCQVRWJFEKOHOS-GOSISDBHSA-N 397.372 4.006 0 1 GIAF CCN(CC)CC(=O)Nc1cc(OC)ccc1Cc1nccc2ccccc12 169323659 PFPPHQJGMMFAOI-UHFFFAOYSA-N 377.488 4.115 0 1 GIAF CN(CC(F)(F)F)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 205435079 IBHWONCSHWMJNW-UHFFFAOYSA-N 379.313 4.133 0 1 GIAF NC[C@H]1C[C@@H](c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn32)C1 253680423 ZKDZHSAMEVMGFN-IZAXUBKRSA-N 399.498 4.010 0 1 GIAF COc1ccc(-c2nc(-c3c[nH]c4ccccc34)cnc2O)c(OC)c1OC 299840310 UXWVPDYFDADXSI-UHFFFAOYSA-N 377.400 4.023 0 1 GIAF COC(=O)c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914397 GVZSDXHAPKNQCV-UHFFFAOYSA-N 388.379 4.118 0 1 GIAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Br)cc(C)c2[nH]1 586922448 MZTNJCNKUNOOMU-UHFFFAOYSA-N 379.279 4.094 0 1 GIAF Clc1cnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 586964944 BTIMSLOWWOBPRT-UHFFFAOYSA-N 396.907 4.421 0 1 GIAF Oc1nc(O)c2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2n1 587071760 QSPTUUUREVNQEQ-TWGQIWQCSA-N 394.818 4.167 0 1 GIAF Cc1onc(-c2nc3c(C(=O)O)cccc3[nH]2)c1COc1ccc(Cl)cc1 587075819 KTNBYJUAWFOSSW-UHFFFAOYSA-N 383.791 4.457 0 1 GIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587109421 PCGVBKLOLSKUJZ-UHFFFAOYSA-N 375.228 4.361 0 1 GIAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587113533 MSJONHBBZJJMCI-JTQLQIEISA-N 385.292 4.146 0 1 GIAF Cc1cc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2cc1Cl 587117144 AGBMGLCXFUEDGV-UHFFFAOYSA-N 381.745 4.443 0 1 GIAF COc1cc(-c2nc3cccc(Br)c3[nH]2)nn1-c1ccccc1F 587156862 UKVJHFSPCRBGSE-UHFFFAOYSA-N 387.212 4.326 0 1 GIAF O=C(/C=C\c1nc2c(Cl)c(Br)cnc2[nH]1)Nc1ccc(F)cc1 587166688 GFABTJAGCMFFKH-WAYWQWQTSA-N 395.619 4.165 0 1 GIAF O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1coc2ccccc12 587280986 MRBFHYCRGXMCGF-UHFFFAOYSA-N 383.469 4.229 0 1 GIAF C[C@]1(c2cc(O)cc(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356522 PXTHSXDEOJSKGQ-RBBKRZOGSA-N 380.371 4.217 0 1 GIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1COCC(F)(F)F 587382009 MJYUMDXIQOFBPQ-GOSISDBHSA-N 395.377 4.371 0 1 GIAF COc1ccc(OCCn2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587392405 ZGHBRFLEBCMQSF-QFIPXVFZSA-N 392.455 4.173 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H]1CCC[C@@H](C(=O)O)C1)[C@@H](C2)C3=O 587449188 IIMHXDCHTFKKFK-FSJDZNGZSA-N 392.451 4.229 0 1 GIAF O=C(COc1ccc(Cl)c(Cl)c1)n1ncc2ccc(Cl)cc2c1=O 587651142 LNLKGFDQGNKBED-UHFFFAOYSA-N 383.618 4.076 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(F)cc(F)cc32)N1 587738010 JFHCMGDXEBQOTL-NIVTXAMTSA-N 398.222 4.427 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C(=O)OC(C)(C)C)C2)N1 587789453 CTINKRPJALMKEB-LRWYKZPYSA-N 384.289 4.069 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCC(=O)O)(c2cccs2)N1 587848900 POIUUBQCCOUFJM-DYZYQPBXSA-N 398.297 4.292 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCN(C)C)(c2cccs2)N1 587850580 ZYRKHSFGPIHFOV-KPZWWZAWSA-N 397.357 4.379 0 1 GIAF COc1cccc2c(OCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12 653797873 OXRAJGIVKPAAPN-UHFFFAOYSA-N 397.438 4.139 0 1 GIAF CCCCN(C)c1ncc([C@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962731278 RFBZWMUEKLJQGQ-ZBFHGGJFSA-N 397.466 4.115 0 1 GIAF CCOC(=O)[C@H]1CC(C)(C)C[C@]12c1ccsc1CCN2Cc1cccnc1 962997178 KOTWBKXUYWHADV-GCJKJVERSA-N 384.545 4.396 0 1 GIAF Cc1sc2c(c1C)CCN[C@@]2(C)c1ccc(O)c(I)c1 963004378 CHJRTZNFXTXUNH-INIZCTEOSA-N 399.297 4.084 0 1 GIAF CCCc1ccc(C(=O)Oc2ccc(-n3nnc(-c4ccccc4N)n3)cc2)cc1 1772639356 MELYMTZESRJCEO-UHFFFAOYSA-N 399.454 4.083 0 1 GIAF CC(C)CC[C@@H]1CC[C@H](NC[C@@H]2C[C@H]([C@H](C)c3ccc(C=O)cc3)[N@]3C[C@@]23O)C1 2356355079 RKXQBFQVQBLOGW-UMYPAOMKSA-N 398.591 4.190 0 1 GIAF CC(C)[C@@H]1CC[C@@]2(C)[C@@H]([C@@H]1OC(=O)C=Cc1ccccc1)[C@@](C)(O)CC[C@H]2O 2356390686 HVLYGZJHRBJSCY-GGRBDDIJSA-N 386.532 4.206 0 1 GIAF COc1ccc(Nc2nc3cc(-c4ccsc4)sc3c(=O)n2C)cc1OC 61907844 NJVBCDNJHPNUAO-UHFFFAOYSA-N 399.497 4.484 0 3 GIAF O=C(Nc1ccc(Br)cc1)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2 263590853 VVXDVYPVFHDBLQ-ZFVVBOAOSA-N 379.298 4.261 0 3 GIAF NCCc1c[nH]c(CC[C@H](c2ccccc2)c2ccc(Br)cc2)n1 13531781 YDUBNWZTTFIXEZ-LJQANCHMSA-N 384.321 4.438 0 1 GIAF COC(=O)[C@@H]1[C@@H](OC(c2ccc(C)cc2)c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C 27206533 BRDDKFGREBLJEO-BJESRGMDSA-N 393.527 4.434 0 1 GIAF CC[C@H](C(=O)O)[C@H]1CCc2cc(OCCc3noc(-c4ccccc4)n3)ccc21 28563264 ZQDIFUYLRKDKJY-AZUAARDMSA-N 392.455 4.499 0 1 GIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 62224640 JNLXLUYUHDBXME-KRWDZBQOSA-N 395.858 4.229 0 1 GIAF CC(C)NC(=O)[C@]1(C)C[C@@H]1[C@H](NC(=O)OCc1ccccc1)c1ccccc1 65731612 ONJDWAYKGBYQHM-TXTKFYIRSA-N 380.488 4.205 0 1 GIAF in-vitro NCc1occc1CN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 66264058 GIRXCLXKZAXSDM-FQEVSTJZSA-N 387.487 4.089 0 1 GIAF c1ccc(N2CCN(c3cc(Oc4ccc5ccccc5c4)ncn3)CC2)nc1 82067883 AOKAZRGDSYFZAZ-UHFFFAOYSA-N 383.455 4.144 0 1 GIAF O=C(c1ccc2c(c1)OCCO2)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 95562799 XFTOJAOTBYKPOB-NRFANRHFSA-N 384.435 4.449 0 1 GIAF O=C(C1CCCCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1 100106248 ATQUGVZYLIXSKG-NUNAXRQHSA-N 378.491 4.339 0 1 GIAF COc1ccccc1Cc1c(=O)[nH]c(=O)[nH]c1[C@H]1CC[C@@H](c2ccccc2)CC1 101598451 NDLLRHKTGJQNKH-IYARVYRRSA-N 390.483 4.104 0 1 GIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2cccc(-n3cccc3)c2)n1 142151375 JXQQNLDFVQDOOM-VQIMIIECSA-N 391.475 4.422 0 1 GIAF O=C(O)Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc(C3CC3)n2)cc1 143458581 XEODLWARLLOIBQ-UHFFFAOYSA-N 380.835 4.440 0 1 GIAF O=C(N[C@H]1CC=C(c2c[nH]c(=O)c3ccccc23)CC1)N1Cc2ccccc2C1 165748282 OFTHZLBEYYOKDW-IBGZPJMESA-N 385.467 4.189 0 1 GIAF O=C1C[C@@H](c2ccccc2)NC(=O)[C@@H]1C(=O)Nc1ccc(C2CCCCC2)cc1 169727240 LTJDRUZRLUUWHU-UNMCSNQZSA-N 390.483 4.119 0 1 GIAF O=c1c2cn[nH]c2c2cc(Cl)c(-c3ccccn3)cc2n1CC(F)(F)F 205519300 LFBGDJMNCSLVIC-UHFFFAOYSA-N 378.741 4.156 0 1 GIAF CC[C@H]1CC=C(c2ccc3c(c2)[C@@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)CC1 220720201 CTBXKHLRFQFYGO-WNSKOXEYSA-N 382.504 4.008 0 1 GIAF c1ccc([C@@H]2CCCN(c3ccc4[nH]c(-c5ccnc(C6CC6)n5)nc4n3)C2)nc1 221057223 ASFASZGANVJXBJ-MRXNPFEDSA-N 397.486 4.071 0 1 GIAF CC[C@H]([C@@H](C)O)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 299810863 PMNPDZIPKKSQML-NPFVIJTESA-N 387.955 4.038 0 1 GIAF O=C1c2ccccc2C(=O)N1Cc1ccc(CNCc2cccc(Cl)c2)cc1 299853363 JCWAUUULZFUOCM-UHFFFAOYSA-N 390.870 4.426 0 1 GIAF CCn1c(NC(C)C)nc2c(C3CCN(c4ccccn4)CC3)csc2c1=O 299868551 RSTAFNGCTLDAPB-UHFFFAOYSA-N 397.548 4.077 0 1 GIAF COc1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cc1OC 587029417 OEIXDYXMVXCARG-UHFFFAOYSA-N 391.456 4.102 0 1 GIAF COC(=O)[C@@H]1CCCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346330 BIFRSSCEIAVAPM-JXHRLWIKSA-N 398.430 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1cccc(OC(F)F)c1)O2 587382659 NOSFBPFNKXGBJT-CQQBXOTJSA-N 388.414 4.115 0 1 GIAF O=C1C[C@@H](c2ccccc2OCC2OCCO2)Oc2c1ccc1c2CCCC1 587536500 UUNGGRNTNCOXJY-NRFANRHFSA-N 380.440 4.024 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)cc(F)c12 587571655 RNCNRJJOHKIQAP-KNQAVFIVSA-N 380.346 4.474 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2ccnc2)cc1 587576020 HMVPTDYBDUFFLX-ZJSXRUAMSA-N 398.418 4.340 0 1 GIAF C[C@@]1(c2ccc3nc(O)oc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585899 IHDRFVAUPUVMQF-AVRDEDQJSA-N 389.363 4.116 0 1 GIAF CCN[C@H](C)[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587756625 RMGQNBUYCLMNNJ-LRDNONRASA-N 391.328 4.364 0 1 GIAF Cc1ccc2nc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2c1 587771095 BKFFJQGBQUSGJE-BUXKBTBVSA-N 388.284 4.342 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](O)c3ccccc32)N1 587835434 WLFYIMJANGWPNI-DQNAHFDYSA-N 376.269 4.193 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(C(=O)O)cs2)N1 587846504 HYRIAEIICANNCK-PWJLMRLQSA-N 384.270 4.146 0 1 GIAF Cc1ccc(-c2cnn(C(C)(C)C(=O)NCc3cc(F)ccc3F)c2)c(C)c1 618008044 FTGXKBJCZHBTFN-UHFFFAOYSA-N 383.442 4.497 0 1 GIAF Fc1ccc(NC[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1F 1772618971 UBWSEPYVZIWJTK-JOCQHMNTSA-N 382.418 4.270 0 1 GIAF Cc1cc(Nc2ccc(C(=O)O)cc2)n2nc(SCc3ccccc3)nc2n1 1772635170 UZFFEJGTXKONPJ-UHFFFAOYSA-N 391.456 4.167 0 1 GIAF COc1ccc(OC)c(NC(=O)[C@@]2(C)CCN2Cc2ccc(C(C)C)cc2)c1 1857604842 YIXQNGLDAFXEDQ-HSZRJFAPSA-N 382.504 4.430 0 1 GIAF CCCN1CCC(c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)CC1 1857617013 FTHTYXCWRXEABJ-UHFFFAOYSA-N 384.545 4.027 0 1 GIAF O=C1c2ccccc2C(=O)N1CCCCNc1ccnc2cc(Cl)ccc12 1857630436 UXJJXZATPZHNFG-UHFFFAOYSA-N 379.847 4.377 0 1 GIAF CC=C(C)C(=O)OCC1=C[C@H](O)[C@@H](C(C)C)[C@H](OC(C)=O)CC(C)=CCC1 2356574313 VGTTVAAIDFWDEA-PWRODBHTSA-N 378.509 4.117 0 1 GIAF CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C)[nH]c(=O)c12 13585086 BTSZMJKDZCBEGX-UHFFFAOYSA-N 375.668 4.099 0 1 GIAF CSC[C@H](c1nccc2c1[nH]c1ccc(O)c(Br)c12)N(C)C 15209766 UXXSAQIRPRDAQT-LLVKDONJSA-N 380.311 4.150 0 1 GIAF biogenic O=C1Nc2ccccc2C(c2ccccc2F)=N[C@@H]1NCc1cc2ccccc2[nH]1 26377014 PXZGQUZGZQPEDJ-QHCPKHFHSA-N 398.441 4.212 0 1 GIAF COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26390221 PMMRBDRYCOJUPT-OPXWUKACSA-N 375.553 4.275 0 1 GIAF COc1ccc(N2CCN(c3ccccc3)C2=O)cc1OCCN1CCCCC1 28527845 IHMJCEXDCOPZEZ-UHFFFAOYSA-N 395.503 4.007 0 1 GIAF COc1ccc(OC)c(Nc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1 34056358 BZMNTBUEVBNNDC-UHFFFAOYSA-N 376.338 4.318 0 1 GIAF CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 34292838 WABOVJSDHQNWID-SFHVURJKSA-N 391.302 4.491 0 1 GIAF CCCCc1c2[n+](cc3cc(OC)c(OC)cc13)CCc1cc3c(cc1-2)OCO3 40393046 MRXSJLURGBAHFW-UHFFFAOYSA-N 392.475 4.439 0 1 GIAF O=C(Oc1ccc(Cl)cc1)N1CCN(c2ncccc2C(F)(F)F)CC1 49031872 UIUBXGQBTAGMLS-UHFFFAOYSA-N 385.773 4.075 0 1 GIAF CC(=O)c1ccc(N2CCC(CC(=O)Nc3nc4ccccc4o3)CC2)cc1 66104914 SHUCHZMLQBQERM-UHFFFAOYSA-N 377.444 4.276 0 1 GIAF CC1(C)C(=O)N(c2ccc(SC(F)(F)F)cc2)C(=O)N1Cc1ccncc1 71329689 VZTJDCKYPWZRFM-UHFFFAOYSA-N 395.406 4.441 0 1 GIAF CCCN1CCN(c2nccc(NC(c3ccccc3)c3ccccc3)n2)CC1 72122710 DYOASIUUFDKCDY-UHFFFAOYSA-N 387.531 4.210 0 1 GIAF CC(C)[C@@]12C=C3[C@H](O)C[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]3C[C@@H]1OC(C)(C)O2 95589835 XVQABXWHRIIOBL-SHCWEXKVSA-N 392.536 4.141 0 1 GIAF COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C(N)=S)cc2)cc1 96915589 AFARHEIZDYGPLQ-UHFFFAOYSA-N 377.391 4.201 0 1 GIAF CC(=O)Nc1cccc(-c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1 139641460 ODUKYJQJFVSWQM-UHFFFAOYSA-N 391.446 4.004 0 1 GIAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccccc1Cl 169723923 JJQSUDBPPRICHU-WBVHZDCISA-N 377.868 4.303 0 1 GIAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1c(Cl)n(CC(F)F)c3ccccc13)C2 220956786 YQMPLFIFUPEHMG-RYUDHWBXSA-N 382.838 4.342 0 1 GIAF CCCCC[C@H](O)/C=C/[C@@H]1O[C@H]2O[C@@H]([C@@H]1C/C=C/CCCC(=O)O)C2(F)F 328577290 GJCWJHMKKPOZIY-XMNKCCLDSA-N 388.451 4.060 0 1 GIAF in-vitro FC(F)(F)c1nn(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c2c1CCCC2 587119826 HEXRVWAQBZFEST-UHFFFAOYSA-N 390.196 4.407 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3cc(F)c(C)cc3Br)[nH]c2c1 587137851 OLUJUEMVKRGAPD-UHFFFAOYSA-N 397.269 4.234 0 1 GIAF CC[C@H](C)OC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587343980 AYKOJVJSPURSQC-JYYJXNPCSA-N 386.419 4.381 0 1 GIAF CCOC(=O)C[C@@]1(Cc2ccccc2Cl)CC(=O)c2cc(C)cc(N)c2O1 587376956 DYXCQMTVFMHWGE-OAQYLSRUSA-N 387.863 4.131 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H]1CC[C@@H](C(=O)O)C1)(c1ccccc1)O2 587409440 ULJQANBLXUUQBB-NXHTTZLHSA-N 379.456 4.329 0 1 GIAF COc1cc2c3c(c1)OC1(C[C@@H]4CCC[C@H](C1)N4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587434849 BICGELMOMQJWDF-GJVOIIEFSA-N 399.487 4.133 0 1 GIAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccnc1Cl)CC2=O 587463656 ZHHLYVSTAVSKDK-ACUNGTFPSA-N 386.879 4.329 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(OC)nc1)CC2=O 587471459 QVUIMCYMTKNJSD-HXUWFJFHSA-N 378.428 4.246 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C(=O)OCC)c1ccccc1)CC2=O 587483558 RBWPHMPRQKVAPS-NFBKMPQASA-N 382.456 4.416 0 1 GIAF C[C@]1(c2ccc(N3CCOCC3)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587508570 WLURNUSCEHCGDN-XMMPIXPASA-N 395.474 4.422 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2nc(F)ccc12 587572154 TULDOESHMKCIPF-XLIONFOSSA-N 376.343 4.111 0 1 GIAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587590224 BEZRPTADNIJEGV-DENIHFKCSA-N 390.391 4.190 0 1 GIAF COC(=O)c1ccc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587718783 OFGQVJRVIMTHDZ-XLFHBGCDSA-N 396.231 4.138 0 1 GIAF COc1nccc2[nH]cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c12 587801619 HMMXUNQUXWXIMM-HUTHGQBESA-N 390.256 4.097 0 1 GIAF COC(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587811950 YAZYYRJACWCLLE-JEOXALJRSA-N 392.268 4.173 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC2CCCCC2)(C(=O)O)N1 587828681 PJMQEIZXAOZWGR-ADLMAVQZSA-N 384.289 4.373 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1c(C)n[nH]c1C 587858840 CCFIUJQZVXOCAX-UHFFFAOYSA-N 393.274 4.478 0 1 GIAF COc1cccc2cc3c(nc12)[C@H](c1cn(C)nc1C1CCCCC1)NCC3 963051368 DTLLLUHHXNWRAR-QHCPKHFHSA-N 376.504 4.260 0 1 GIAF COc1ccc(Cl)cc1-c1cc(F)cc([C@@H](CC(=O)O)c2nnc(C)o2)c1 1772612791 VLWBKCORBNZRIC-MRXNPFEDSA-N 390.798 4.453 0 1 GIAF CC(=O)CC[C@@H]1[C@@H]2[C@H](O)[C@H](C(C)C)[C@@H](OC(=O)C=Cc3ccccc3)C[C@@]21C 2356531823 MZRGOEIFXVZAOF-WJUYYZSVSA-N 384.516 4.270 0 1 GIAF CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)Nc2ccccc2)O3)cc1 61903048 VPDILORZPBSYJA-HSZRJFAPSA-N 387.439 4.039 0 3 GIAF COC(=O)c1ccc2nc(-c3ccco3)c(Cc3ccc(OC)cc3C)n2c1 72135911 KDPPRXBQJIUZAQ-UHFFFAOYSA-N 376.412 4.289 0 3 GIAF O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)sc1nc(-c3ccccc3)cn12 6748759 HKPIFOZOISOSNY-INIZCTEOSA-N 377.469 4.125 0 1 GIAF Cc1ccccc1NC(=O)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21 13455321 MXZXYWSVCUQROY-LSDHHAIUSA-N 394.258 4.433 0 1 GIAF CC(C)N(C[C@H](O)COc1ccccc1[C@@H](O)CCc1ccccc1)C(C)C 13529058 DNWOJSUBWJDTES-GMAHTHKFSA-N 385.548 4.211 0 1 GIAF CC(C)N(C)Cc1ccc(COC(=O)[C@@](O)(c2ccccc2)C2CCCC2)o1 13602083 QBNNYOFOKLAFSF-HSZRJFAPSA-N 385.504 4.241 0 1 GIAF COc1cccc(-c2ccc3c(c2)C[C@@H]2OC(=O)[C@@H](CCCCC(=N)N)[C@@H]32)c1 27437707 JXTNFIXKYVZXDP-JAXLGGSGSA-N 378.472 4.040 0 1 GIAF O=C(c1ccco1)N(c1ccccn1)C1CCN(CCc2ccccc2)CC1 27733241 WEEGLWYPSROLFW-UHFFFAOYSA-N 375.472 4.029 0 1 GIAF CCCCCCNC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1 28528502 AXPBAMCXYFYJQO-UHFFFAOYSA-N 383.279 4.279 0 1 GIAF Nc1ccc2c(c1)CNc1c(Nc3cccc(Br)c3)ncnc1O2 28571250 KLALEUZAQNFFBL-UHFFFAOYSA-N 384.237 4.283 0 1 GIAF CN(C)c1nc(NC2CCCCCC2)nc(NC23CC4CC(CC(C4)C2)C3)n1 29038987 AXCWPPDNFNZZLE-UHFFFAOYSA-N 384.572 4.453 0 1 GIAF Oc1cc2c(cc1Cl)CCN(C(=S)NCCc1ccc(Cl)cc1)C2 29123082 OHQSYYAEFRIZKQ-UHFFFAOYSA-N 381.328 4.174 0 1 GIAF C[C@@H](Cc1c[nH]c2ccccc12)N1CCC[C@H](c2ccnc(NC3CC3)n2)C1 40404215 TXUGDPXGLXURBO-IRXDYDNUSA-N 375.520 4.343 0 1 GIAF in-vitro COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)CN(C)CC2 45302998 SXUFARXANNKXST-QGZVFWFLSA-N 376.294 4.086 0 1 GIAF O=C(Nc1ccccc1F)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 100101537 FFTFHGSVEMNVGE-JKHIJQBDSA-N 387.458 4.464 0 1 GIAF CCOc1cc([C@H]2C(C(=O)OC)=C(C)N=C3C2=C(O)c2ccccc23)ccc1O 104027346 LNLWWPZRYRTGNH-IBGZPJMESA-N 391.423 4.107 0 1 GIAF O[C@H](COc1cccc(OCc2ccccc2)c1)CN1CCc2ccccc2C1 219731926 WYHHSWYAZANDKQ-QHCPKHFHSA-N 389.495 4.064 0 1 GIAF O=C(Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccno1 224880154 UAFOUFFGKXPUIQ-UHFFFAOYSA-N 375.306 4.198 0 1 GIAF Cc1nn(-c2cccc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c2)c(C)c1Cl 587064555 CVWPVQCOLBHRQV-UHFFFAOYSA-N 393.878 4.388 0 1 GIAF Cc1ccc2c3c(c4c(nc13)-c1c(O)cc(O)nc1CC4)-c1ccccc1C2=O 587097764 SPLSTWWSSCGUQX-UHFFFAOYSA-N 380.403 4.326 0 1 GIAF FC(F)COc1cccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)n1 587123883 KQIWQYIZGRKMRW-UHFFFAOYSA-N 389.587 4.080 0 1 GIAF COc1cc2nc(-c3nnn(Cc4cccc(F)c4)c3Cl)[nH]c2cc1Cl 587160478 CMBPLDDGXPFZKG-UHFFFAOYSA-N 392.221 4.324 0 1 GIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(F)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587240244 ROLNVBRCZUHLEX-LSWYUMSHSA-N 389.471 4.257 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]31)O2 587398937 JRTNNEYLLXBRHE-WWEVIYMKSA-N 376.500 4.213 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3occc3C(=O)O)c1)O2 587402801 CJAJIUNBEDVTIH-LJQANCHMSA-N 393.395 4.154 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(Br)cc1F)[C@@H](C2)C3=O 587425729 GVEHJKVWWYMPFL-LIRRHRJNSA-N 391.236 4.346 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cccn1Cc1ccc(F)c(F)c1)[C@@H](C2)C3=O 587426775 PRKAQFMUUQLVBJ-OYHNWAKOSA-N 381.378 4.312 0 1 GIAF CCOC(=O)[C@@H](CC)[C@@]1(c2cccc(C)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440619 HGBCFJFCJWDIHX-KHCICDEESA-N 394.467 4.236 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C(C)(C)C)cccc21 587480670 FVFJMMAGCICZNH-HSZRJFAPSA-N 379.456 4.455 0 1 GIAF CNc1cc(Cl)ncc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551774 JLHAFMFCUWKTTL-YLJYHZDGSA-N 382.803 4.185 0 1 GIAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N(C)C 587571797 MHHFKHUBEROWCJ-NFBKMPQASA-N 375.424 4.470 0 1 GIAF Cc1c(-c2cc(F)cc(Br)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649820 LIJPYWBHCKPPIK-UHFFFAOYSA-N 382.254 4.448 0 1 GIAF COc1cc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587719820 LYYYQUOUZQEWFR-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF CCCCOC(=O)[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587791877 IZMHKGVXDCBBCF-SPKLELGKSA-N 398.316 4.461 0 1 GIAF COCCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587791914 JTCJJAWYYGVPSL-HXPMCKFVSA-N 394.284 4.237 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)NCc1ccco1 587865778 IPOZWKDXPJOPJQ-UHFFFAOYSA-N 379.338 4.319 0 1 GIAF CC(C)(CC(=O)O)Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587955538 MPMVALMZEZQIIC-UHFFFAOYSA-N 379.176 4.388 0 1 GIAF Clc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)SC2)s1 653823169 QVEWLOKTIAQSDI-UHFFFAOYSA-N 398.904 4.408 0 1 GIAF COc1ccc(-c2ccn3nc(NC(=O)c4cccc(Cl)c4)nc3c2)cc1 1857620945 HBTOVCKSEWKDFK-UHFFFAOYSA-N 378.819 4.311 0 1 GIAF CC(=O)OCC(C)=CCCC(=CCCC(C)=CCCC1=CCOC1=O)C(=O)O 2356385333 XWTBRAOLUUAYOO-UHFFFAOYSA-N 390.476 4.277 0 1 GIAF CC[C@H](C)C(=O)c1c(O)c(C)c(O)c2c1O[C@](C)(CCC=C(C)C)[C@H](O)C2 2356552794 CNFWCPMUKRVISB-JWCWZOIMSA-N 376.493 4.436 0 1 GIAF O=C(CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21)Nc1ccccc1F 6878107 AHIGPPUNXCCZEL-UHFFFAOYSA-N 397.793 4.265 0 3 GIAF O=C(CSc1nnc2scc(-c3ccccc3)n12)NC1CCCCCC1 22337457 KDZGAJAFCJSZRA-UHFFFAOYSA-N 386.546 4.389 0 3 GIAF Cc1ccccc1CN1CCCC[C@@H](NC(=O)c2ccc3ccccc3c2)C1=O 200050777 IXTLPXMULZZUGQ-HSZRJFAPSA-N 386.495 4.459 0 3 GIAF c1ccc(Sc2ncnc3ncn([C@@H]4COc5ccccc5CO4)c23)cc1 40866607 LKRWMALTESLYPY-KRWDZBQOSA-N 376.441 4.085 0 1 GIAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](C)[C@@H](C)C2 68590530 VEQBQKQQMKJDES-NWDGAFQWSA-N 386.444 4.412 0 1 GIAF biogenic COc1ccc(-c2nc(CNC3CCN(Cc4ccccc4)CC3)co2)cc1 72184412 IDPRMTBKPCUHJB-UHFFFAOYSA-N 377.488 4.104 0 1 GIAF COC(=O)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 72318356 IOWULSWHKYGCPY-UHFFFAOYSA-N 396.450 4.082 0 1 GIAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3)n2)C1 82133296 UMNPDHOAWGOMDN-ROUUACIJSA-N 378.520 4.252 0 1 GIAF CCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cc(OC(C)C)ccc2c1=O 95555529 WSEXNHLOGZJQFM-UHFFFAOYSA-N 381.428 4.168 0 1 GIAF CN(C(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2)c1ccccc1 95587472 KBAIXLXDNHHHAQ-UHFFFAOYSA-N 397.478 4.079 0 1 GIAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@](C)(O)[C@H]2OCc1ccc2ccc(=O)oc2c1 95913878 LSFPDSGTNWHMAC-LJAMWKNPSA-N 398.499 4.235 0 1 GIAF biogenic,in-vitro Cc1ccccc1C(C)(C)C[C@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F 103250775 YODZJEXOVOLTHE-LJQANCHMSA-N 377.410 4.470 0 1 GIAF Cc1coc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@@H]3C)n1 142906572 KCZKUNSWQCVDIE-MRXNPFEDSA-N 399.454 4.126 0 1 GIAF COC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1ccccc1)CC(C)(C)CC3 218322027 JVHJMNINROTJNZ-SFHVURJKSA-N 377.488 4.183 0 1 GIAF Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4cccs4)cc3=O)cc21 223453967 YEJHUJQPWPLYSR-UHFFFAOYSA-N 377.469 4.242 0 1 GIAF O=C(NCc1cccs1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 299832327 UTLYQVJWQPJRHA-UHFFFAOYSA-N 386.452 4.026 0 1 GIAF Cc1cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2cc1C 586970415 ZMEFRIUDTPUMTN-UHFFFAOYSA-N 380.429 4.251 0 1 GIAF Cc1cc(F)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 587018567 HWUXWKFMCATOSI-UHFFFAOYSA-N 381.432 4.496 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(CCc3scnc3C)nc2c1 587026806 JIVPTDJJEQHAGX-UHFFFAOYSA-N 394.294 4.052 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C)cc(F)c3[nH]2)cc1 587042923 NORJMDITFMCULS-QGZVFWFLSA-N 385.464 4.297 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(C)ccnc3[nH]2)c1 587048873 BUXGDBPYQHGTTH-BQYQJAHWSA-N 397.866 4.310 0 1 GIAF CCOc1cc(/C=C\c2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1OC(F)F 587130343 KVPMFSOPVHRLBW-XQRVVYSFSA-N 386.358 4.315 0 1 GIAF COc1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2n1 587166597 WYYMKIHCXHOKDP-UHFFFAOYSA-N 379.420 4.073 0 1 GIAF Cc1ccc2c(ccc3nc(-c4cncc(I)c4)[nH]c32)n1 587185078 PJHUHFUWZYRTGO-UHFFFAOYSA-N 386.196 4.086 0 1 GIAF CCOC(=O)C1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCC1 587347598 LQATVRSPBGWQGG-KNQAVFIVSA-N 398.430 4.382 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cnc(SCc4ccccc4)nc1)[C@@H](C2)C3=O 587451561 JNGFGQMSXJGKOK-LAUBAEHRSA-N 390.464 4.266 0 1 GIAF CCCc1c(O)ccc2c1O[C@](/C=C\N(C)C)(c1ccc(OC)cc1)CC2=O 587468840 KKMBCBZHJOGQRL-DSTYWPJMSA-N 381.472 4.289 0 1 GIAF CCOC(=O)C[C@@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587525718 RLVNGIKIEMSWFC-XMMPIXPASA-N 378.468 4.465 0 1 GIAF Cc1ccc(S(=O)(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532955 RHKJQOSCBOIHIB-JOCHJYFZSA-N 384.497 4.072 0 1 GIAF CCn1nc(C)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547570 MLINCAIQAWCQAY-MGPUTAFESA-N 384.819 4.273 0 1 GIAF CC(C)C[C@H](CN(C)C)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572524 PQUONEIQNFAXGN-LQNXUBFPSA-N 383.488 4.336 0 1 GIAF COc1nccc(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587695261 QRIJCDNJZCUYEN-ANRSDYALSA-N 385.664 4.269 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccn2)(C(F)(F)F)N1 587708650 CVDORVOVYTWLPP-BJOHPYRUSA-N 389.190 4.323 0 1 GIAF CCn1cc([C@]2(CC)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587754094 CQNUURILRSGBKK-ZMZPIMSZSA-N 380.305 4.301 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccn2)N1 587757783 VYKBBIKCGFBSET-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCN2C(=O)OC(C)(C)C)N1 587759856 HRKKSSJPKVNJQI-HICWGWBUSA-N 399.304 4.173 0 1 GIAF Cc1cc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)n1 587771896 UIZWVTOAQJRQNN-BBATYDOGSA-N 379.273 4.103 0 1 GIAF COc1n[nH]c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 587798726 VQRXBGYXVGZUHC-HUTHGQBESA-N 390.256 4.097 0 1 GIAF CCOC(=O)CC[C@@]1(C2CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799681 UEYCOBBUXOOZRN-VOJFVSQTSA-N 384.289 4.071 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(CC(=O)O)cc2)N1 587828353 OWOWEPZNNZFTMM-WYRIXSBYSA-N 392.268 4.013 0 1 GIAF COC(=O)c1ccnc2cc(OCc3ccc(Cl)c(OCC4CC4)c3)[nH]c12 653735943 FCXHSLXQXAJCNC-UHFFFAOYSA-N 386.835 4.371 0 1 GIAF C[C@@H]1Cc2ccc(Cl)cc2[C@@]12N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962730161 MCXWALPNURFVSS-BAXPTACRSA-N 379.809 4.422 0 1 GIAF Cc1ccnc2c1CCN[C@@H]2c1ccc(OC(F)(F)F)c(Br)c1 963072592 TXRFAYXHHANOIY-CQSZACIVSA-N 387.199 4.286 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](c2cc(F)cc(Cl)c2)(C2CC2)N1 963219169 CYMJSILFJQRXCG-IFMALSPDSA-N 396.849 4.280 0 1 GIAF COc1cccc(-c2cccc([C@@H]3N[C@H](C(=O)O)Cc4cc(C)c(O)cc43)c2)c1 963491378 MZSMZIKJTUDNNN-GMAHTHKFSA-N 389.451 4.065 0 1 GIAF O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2cccc(F)c2)cc1 1772589648 FVIFTCKGAKHIMG-HKJUGDSBSA-N 396.458 4.212 0 1 GIAF CC(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)s1 1857652288 LEDDWEUZAMKWIO-OAHLLOKOSA-N 389.546 4.328 0 1 GIAF Cc1cc(=O)oc2cc(OCCCSC(=S)N3CCCCC3)ccc12 1857749517 WPNZIORZRPYVSP-UHFFFAOYSA-N 377.531 4.374 0 1 GIAF CCNC(=O)NC[C@@H]1C=C(C)[C@@H](CC(=O)N(C)Cc2ccccc2)C[C@H]1C(C)C 2356311518 XCXGMOJKOZDKBT-FSSWDIPSSA-N 399.579 4.209 0 1 GIAF CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)N[C@@H](CO)C(=O)O 2356783480 LMAARKZBQFFVIV-FQEVSTJZSA-N 387.520 4.080 0 1 GIAF COc1ccc(NC(=O)CSc2c3c(nc4ccccc24)CCC3)c(OC)c1 4923688 HFMGKDQIYWUPKY-UHFFFAOYSA-N 394.496 4.472 0 3 GIAF COc1ccc([C@@H]2C=CCN(CC(C)C)CC(=O)N2Cc2cccc(F)c2)cc1 18069049 IRRUMAHLWIUQQB-QHCPKHFHSA-N 396.506 4.432 0 3 GIAF COc1ccc(N2C(=O)CS[C@@H]2c2ccc3cccc(O)c3n2)cc1Cl 6738778 YKMNPMPGUJXJFY-LJQANCHMSA-N 386.860 4.381 0 1 GIAF CCCC[C@H](NC(=O)O[C@H](C)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 13589438 ULOJKTYEGWBLIG-NUJGCVRESA-N 390.524 4.153 0 1 GIAF O=C(Nc1cccnc1)N1CCc2cc(OCC3CC3)c(C(F)(F)F)cc21 13779459 YIRFZSGNXOJMIJ-UHFFFAOYSA-N 377.366 4.484 0 1 GIAF Cc1c(C(=O)c2ccccc2F)c2ccccc2n1[C@H](C)CN1CCOCC1 13820958 COEIKTDOBBJAHE-MRXNPFEDSA-N 380.463 4.213 0 1 GIAF NC(=O)[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1c(Cl)cccc1Cl 26376365 IEAYWMAICPUKDU-ZDUSSCGKSA-N 388.707 4.160 0 1 GIAF CCCCOc1cccc(C(=O)n2c(C)c(CC(=O)O)c3cc(OC)ccc32)c1 28377941 CHMGDCFWVDYLGZ-UHFFFAOYSA-N 395.455 4.453 0 1 GIAF Cc1ccccc1C(=O)NC[C@@]1(C(F)(F)F)OC(=O)Nc2ccc(Cl)cc21 45255472 GVGXXRDDTTYRKY-QGZVFWFLSA-N 398.768 4.398 0 1 GIAF O=C(NCc1cn(Cc2cccc(Oc3ccccc3)c2)nn1)c1ccccc1 49070253 MABMDAIGZBOGNV-UHFFFAOYSA-N 384.439 4.049 0 1 GIAF O=C(CCCN1CCC(c2ccccc2)CC1)c1ccc2c(c1)CCNCC2 73159087 CLWJJHWZXSDXHX-UHFFFAOYSA-N 376.544 4.217 0 1 GIAF N[C@H]1CC[C@@H](n2cc(-c3ccc4c(c3)Cc3c[nH]nc3-4)c(-c3ccncc3)n2)CC1 101417512 IITDRWYWCOFDCY-MXVIHJGJSA-N 396.498 4.349 0 1 GIAF COCc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCCc2ncsc21 220887552 DKKJAIAKMMCJIJ-LBPRGKRZSA-N 385.316 4.333 0 1 GIAF CC(=O)OC[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](OC(C)=O)CC[C@@]43C)[C@@H]1CCC2=O 255286637 ZBCIPAKSRPXBDL-FEPOTVBBSA-N 390.520 4.073 0 1 GIAF COc1cc(C(=O)Nc2ccc(-c3cccnc3)cc2F)cc(OC)c1OC 299825289 FMGMPJRXARXLIY-UHFFFAOYSA-N 382.391 4.166 0 1 GIAF CN(C)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1 299840723 ZCZOLVHIFQVYIG-UHFFFAOYSA-N 397.656 4.415 0 1 GIAF O=C1C[C@@H](Sc2ccccc2C(F)(F)F)N1C(=O)NCc1ccccc1 299855224 ASEVRAGBGQBKND-MRXNPFEDSA-N 380.391 4.266 0 1 GIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccccc3[nH]2)C[C@H]2CCCC[C@H]21 586957449 ASQPNFBGXWVMFA-YSGRDPCXSA-N 381.501 4.257 0 1 GIAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc[nH]c(=N)c2[nH]1 587087414 PVWCTUBTIPXPPX-SREVYHEPSA-N 399.285 4.401 0 1 GIAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc4c(cc3[nH]2)OCCO4)c1 587158682 JUTGKHQUXFKGDL-UHFFFAOYSA-N 386.386 4.479 0 1 GIAF Fc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc(N2CCCC2)n1 587177162 AOZHXLPHSKRACV-UHFFFAOYSA-N 396.651 4.175 0 1 GIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)c1 587341653 ZMTJWIMPGVLLKA-JTHBVZDNSA-N 393.414 4.396 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc(Cl)cc1Br)O2 587379015 ZMKZMKPSMFZAIU-MRXNPFEDSA-N 381.657 4.269 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)c(Br)c1F)O2 587381838 LYILTIVSAQFNBV-QGZVFWFLSA-N 382.204 4.499 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4CN(Cc5ccccc5)C[C@H]41)[C@@H](C2)C3=O 587440478 ACRXBELIDJNDKF-MTPHGBLSSA-N 389.495 4.114 0 1 GIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1ccc(Cl)s1)[C@@H](C2)C3=O 587451525 PGFNGAFIWZVLLR-NONIITOYSA-N 375.877 4.128 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)cc1F)CC2=O 587467071 PVUVPGADGJJZSR-NRFANRHFSA-N 385.435 4.027 0 1 GIAF COc1cc(F)cc(OC)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566687 ALZOVJLFGHIORM-KNQAVFIVSA-N 396.370 4.251 0 1 GIAF Cn1nc(C(C)(C)C)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580776 JGDSKJCXVPVNPI-GHTZIAJQSA-N 378.428 4.126 0 1 GIAF CCn1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587583444 WIUWUZNGMJHSKY-AUSIDOKSSA-N 386.407 4.465 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2COc3ccccc3O2)N1 587833681 OQISJJGNOHLAFX-CXWAGAITSA-N 392.268 4.178 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3snnc3c2)N1 587854496 CCMKAHICDNEBSP-PWJLMRLQSA-N 378.270 4.217 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1c(CC)nc2ccccc21 587871630 LMJRKUSWLPQPFY-UHFFFAOYSA-N 392.434 4.340 0 1 GIAF CCCc1noc(-c2cccnc2-n2nc(-c3cccc(F)c3)cc2OCC)n1 587871635 LNOFYTOMVJTJHQ-UHFFFAOYSA-N 393.422 4.475 0 1 GIAF COc1ccccc1CNC(=O)C(C)(C)n1cc(-c2ccc(C)cc2C)cn1 618008078 SHAPVQXKOQHUHQ-UHFFFAOYSA-N 377.488 4.227 0 1 GIAF COC(=O)C[C@H]1Cc2ccccc2C2(CCN(CCCc3ccccc3)CC2)O1 653827645 AEPANPSYHGALRL-JOCHJYFZSA-N 393.527 4.115 0 1 GIAF NCc1ccnc(Oc2cccc(C(=O)NCc3cc4ccccc4s3)c2)c1 1772601113 HZOSNBJSMRCDMY-UHFFFAOYSA-N 389.480 4.477 0 1 GIAF O=C(c1cc(Cc2nnc(O)c3ccccc23)ccc1F)N1CCC2(CCC2)C1 1857635553 ZUFXUAYAVFEJAM-UHFFFAOYSA-N 391.446 4.082 0 1 GIAF CCOC(=O)c1cnc2ccc(OCc3ccccc3)cc2c1[S@](=O)CC 1857637785 FWJNRNHBABIVNF-HHHXNRCGSA-N 383.469 4.118 0 1 GIAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC1=C[C@H](OC)OC1=O 2356495099 FSJFGZMOIPHTEI-LSLSXUSLSA-N 376.493 4.174 0 1 GIAF CCCOC(=O)[C@@H]1C(C)=CC[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)[C@H](O)[C@@H](O)C[C@]12C 2356504886 IXDOKLSVJJFDAR-WWVPYWJLSA-N 378.553 4.096 0 1 GIAF C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CCN1C(=O)C/C=C/c1ccccc1 61904235 IGDMBEVZAAIIQV-REXAPNPKSA-N 385.467 4.268 0 3 GIAF COc1ccc([C@H]2CC[C@H](OCCCn3c(C)nc4cnccc43)O2)cc1OC 11686730 KKDADHNDCVRXHS-DENIHFKCSA-N 397.475 4.041 0 1 GIAF Cc1sc(C)c2[nH]c([S@](=O)Cc3nccc(OC(C)C)c3Cl)nc12 13448861 ITSLELCXOCAZQO-DEOSSOPVSA-N 383.926 4.385 0 1 GIAF COc1ccccc1N1CCN(Cc2ccc(-c3c(F)cccc3F)[nH]2)CC1 29560333 YDLINVBRACGETC-UHFFFAOYSA-N 383.442 4.291 0 1 GIAF N[C@@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@H]1c1cc(F)c(F)cc1Cl 36310964 QWUWSZCVPDEKJJ-BLLLJJGKSA-N 392.862 4.068 0 1 GIAF CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc([C@@H]3CCCN3)ccc1-2 96269663 SSALYFTWJFAWDV-HNNXBMFYSA-N 381.505 4.009 0 1 GIAF CCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)N=C2C1=C(O)c1ccccc12 103541385 NLTQGCLSCMCUHG-LJQANCHMSA-N 375.424 4.402 0 1 GIAF Cc1onc(-c2ccc(Cl)cc2)c1COc1ccc(C(=O)NC2CC2)cn1 141415806 DTNAXROICAPJTO-UHFFFAOYSA-N 383.835 4.170 0 1 GIAF Cn1/c(=N\N/C=C/c2sc3ccc(Cl)cc3[n+]2C)sc2ccccc21 169323933 UYVVUAQOIJFJGB-DYTRJAOYSA-O 387.941 4.009 0 1 GIAF C[C@@H](NC(=O)Nc1cc2n[nH]c([C@]3(C)CC3(F)F)c2cn1)c1ccc(F)cc1 205434147 KUWIETUZERDPLZ-MGNBDDOMSA-N 389.381 4.276 0 1 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)c4ccc(F)cc4)ncc23)ccn1 205438978 NTCHHCRAGXQOCH-ZDUSSCGKSA-N 390.422 4.350 0 1 GIAF CN1[C@H]2CC[C@H]1[C@H]1COC(=O)CCCCCCC(=O)Nc3ccc(cc3)[C@H]1C2 253677962 QLPRIWAESOJKJS-WOZUAGRISA-N 384.520 4.089 0 1 GIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2C(C)=O 299850683 WULADFNJWJZNOF-BCUDGRBNSA-N 376.537 4.138 0 1 GIAF Oc1ccc(-c2cccc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2)cc1 586897556 FUGXHLWDGYNPCM-UHFFFAOYSA-N 385.467 4.435 0 1 GIAF O=C1C[C@H](Cc2nc3ccnc(Cl)c3[nH]2)c2c(Br)cccc2O1 587001920 ASAWUTXPHAZWHW-QMMMGPOBSA-N 392.640 4.009 0 1 GIAF N[C@H](N=O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587012847 LJOBWJMTBFOEDS-GFCCVEGCSA-N 378.255 4.050 0 1 GIAF COc1c(F)cc(-c2nc3ccc(I)cc3[nH]2)cc1F 587135251 XAMOXCKWOLWVMX-UHFFFAOYSA-N 386.139 4.121 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(Br)c1F)[C@@H](C2)C3=O 587426161 LWYNOSWLLMIVSD-SGTLLEGYSA-N 377.209 4.260 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC[C@@H]3CO3)c(OC)c1)CC2=O 587483718 GCSJFUIKMLIAES-NPMXOYFQSA-N 398.455 4.012 0 1 GIAF C[C@]1([C@@H](N=O)C(=O)Nc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511271 JPKYXXYOJSKPDO-RBBKRZOGSA-N 378.428 4.063 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccccn2)N1 587753442 IULNJZXQZISCPG-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF COC(=O)c1cc(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587811272 WETMMXZURWWNOM-VOJFVSQTSA-N 392.268 4.307 0 1 GIAF COc1nc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587850765 FMXNAYMBQMPAHE-UPONEAKYSA-N 391.693 4.330 0 1 GIAF COc1ccc(C[C@@H](C)c2nc3cncc(Br)c3[nH]2)cc1OC 587925684 GLPPTRIUXUTEGT-SNVBAGLBSA-N 376.254 4.084 0 1 GIAF COC(=O)c1ccnc2[nH]c(C3(c4ccc(OC)cc4)CC4(CCC4)C3)nc12 587934487 AZVQVQTYGSWSOU-UHFFFAOYSA-N 377.444 4.003 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@H](c2ccc(O)c(Cl)c2Cl)N1)C(F)(F)F 962768619 RLHMPMVKQACUCC-IAQYHMDHSA-N 390.188 4.434 0 1 GIAF O=C(OCc1ccccc1)N1CCC[C@H](C[C@@H]2NCCc3ccc(O)cc32)C1 963351192 FNVUNVJUSMZNIA-GCJKJVERSA-N 380.488 4.018 0 1 GIAF Cc1cccc([C@]2(Cc3ccccc3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1 963530113 ZZNIZPBEIZSLBH-DHLKQENFSA-N 387.479 4.094 0 1 GIAF CC(C)n1ncc2c(C(=O)Nc3ccccc3F)cc(-c3ccncc3)nc21 1772596629 AJCPFTDMFWIGPG-UHFFFAOYSA-N 375.407 4.466 0 1 GIAF COc1cc2c(cc1OC)[C@H](CCCc1c[nH]c3ccccc13)N(C=O)CC2 1857611620 HGZABGWOLKSXPI-NRFANRHFSA-N 378.472 4.264 0 1 GIAF O=C1Nc2ccc(Br)cc2/C1=C/c1[nH]nc2c1Cc1ccccc1-2 1857652660 SEBMAAPIIJJLAW-ZROIWOOFSA-N 378.229 4.236 0 1 GIAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)C4CCC4)nc3[C@@H](C)[C@@H]21 2356321180 UPLMDWYCLKZCGE-QMPAXKNRSA-N 388.533 4.135 0 1 GIAF CNCc1cc(O)ccc1C[C@@H]1CCC[C@H]([C@@]23CC[C@@H]([C@H](N)C2)C(C)(C)O3)C1 2356360290 CKLMHNRBOGLRQK-RUGIATIUSA-N 386.580 4.136 0 1 GIAF CC[C@H](C)C(=O)O[C@@H]1CCC[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21 2356520004 VXDSGTRNDFHIJB-IWZCLJCBSA-N 392.536 4.029 0 1 GIAF COc1cc(O)c([C@H](CCN2CCCC2)c2ccc(N(C)C)cc2)c(OC)c1 13661652 CBKINESZAJBQJQ-HXUWFJFHSA-N 384.520 4.093 0 3 GIAF Cc1oc(-c2cccc(F)c2)nc1CN(Cc1ccccc1)C[C@@H]1CCC(=O)N1 55359917 LOPSWICIAXKURS-FQEVSTJZSA-N 393.462 4.070 0 3 GIAF CC(=O)Nc1cc(-c2cccc(CO)c2)cn2c(-c3ccc(F)cc3)cnc12 61896805 FKPYHJOXVWEQNI-UHFFFAOYSA-N 375.403 4.258 0 3 GIAF CC[C@H](C)[C@H]1CNC(=S)N1CC1CCN(CCCCc2ccccc2)CC1 61936133 LEZKVOIMRLVWJL-SIKLNZKXSA-N 387.637 4.326 0 3 GIAF COc1ccc(-c2c3nc(N)n(C)c3cc3cc(OC)c(OC)c(OC)c23)cc1 103158980 LFZBJMWIAAPZLM-UHFFFAOYSA-N 393.443 4.010 0 3 GIAF CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCCCC2)[C@@H]1c1c[nH]c2ccccc12 2469352 RFPUZHSVGAYGJK-YADHBBJMSA-N 387.483 4.091 0 1 GIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCN(CC)CC 4213528 XKGDQYSIXZJRGE-RTBURBONSA-N 379.570 4.220 0 1 GIAF CC(=O)O[C@H]1[C@@H]2c3c(ccc4c(=O)cc(-c5ccccc5)oc34)O[C@@H]2OC1(C)C 5712023 XTIQPKJOGKMOSY-ILWGZMRPSA-N 392.407 4.003 0 1 GIAF Cc1ccc([S@@](=O)/C=C(\NC(=O)OCc2ccccc2)C(F)(F)F)cc1 5847061 FVARZJLAYAUXBL-WTXYPLAXSA-N 383.391 4.433 0 1 GIAF O=C1N(CCc2ccccc2)C[C@@H]2C[C@@H](c3cccc4cnccc34)N3CCC[C@@]123 12711045 XNIHETMDSNFVHV-CVJWPJSTSA-N 397.522 4.215 0 1 GIAF C[C@@H](CN[C@@H]1COc2ccccc2SC1)CSc1cccc2c1OCC2 38465675 YTIJTAJHGATKIA-DOTOQJQBSA-N 387.570 4.493 0 1 GIAF O=C(Nc1cccc(OC(F)(F)F)c1)c1nscc1NCc1ccncc1 40405699 HPQJCFJZSWQYAT-UHFFFAOYSA-N 394.378 4.301 0 1 GIAF Nc1ncnc2c1N=C(c1ccc(Cl)cc1)C[C@H](c1ccc3c(c1)OCO3)N2 40423791 QGOFMEKSCMNUKI-OAHLLOKOSA-N 393.834 4.119 0 1 GIAF COc1cc2c(Nc3cccc(C(F)(F)F)c3)ncnc2c(OC)c1OC 41479616 IOLXNJBREVFOTH-UHFFFAOYSA-N 379.338 4.418 0 1 GIAF O=C(NC1CCCCC1)Oc1cccc(C2=N[C@@H](Cc3ccccc3)CO2)c1 45291191 MBJNJAOAXPKGHD-FQEVSTJZSA-N 378.472 4.496 0 1 GIAF COCCCNc1nc2cc(C)c(C)cc2n1CC(=O)c1cc(C)c(O)c(C)c1 45358753 PTVBMCXGWOPVPV-UHFFFAOYSA-N 395.503 4.307 0 1 GIAF COc1ccc(Br)c(-c2nnc3n2N[C@H](c2ccccc2)S3)c1 73294536 KIZUVBHTUYLWEI-HNNXBMFYSA-N 389.278 4.064 0 1 GIAF O=C(NC1CCCCC1)c1cc2ccccc2n(Cc2ccc(F)cc2)c1=O 84617546 YOKPZBZRCWUFCU-UHFFFAOYSA-N 378.447 4.251 0 1 GIAF COc1ccc(-c2nn3c(-c4cnc(N)c(C(F)(F)F)c4)cnc3s2)cc1 114041248 LJYVZFARGSUJCH-UHFFFAOYSA-N 391.378 4.129 0 1 GIAF CN(c1cc(C(C)(C)C)on1)[C@@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1 118880079 JOISWBZVOYJXLG-CQSZACIVSA-N 399.466 4.144 0 1 GIAF O=C(O)CC1CC2(CCN(Cc3ccc4c(c3)Nc3nccnc3S4)CC2)C1 138266873 WTTKFMPUQDHYDJ-UHFFFAOYSA-N 396.516 4.152 0 1 GIAF Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)N(C)Cc2ccc(Cl)cc2)c1 149184331 MBBVGWVPFHDCQH-QHCPKHFHSA-N 398.934 4.149 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@@]4(C)[C@@H]3CC[C@@]12C 169713477 ARCONGNMKCTCRP-ONRNPXSQSA-N 388.596 4.382 0 1 GIAF O[C@@H]1CCCC[C@H]1Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 216340377 MYPSDLYBBIYJDD-QZTJIDSGSA-N 376.464 4.074 0 1 GIAF Fc1ccccc1NC(=S)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 504175499 AMMVHVUHCPVNCO-IDPBPBMLSA-N 385.552 4.418 0 1 GIAF biogenic O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(F)c3[nH]2)C[C@H]2CCCC[C@@H]21 586961233 QPZYOMBCQZEYEA-CCKFTAQKSA-N 399.491 4.397 0 1 GIAF COC(=O)c1cccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c12 586997418 WWXITXGXFOCHPG-UHFFFAOYSA-N 389.249 4.426 0 1 GIAF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1 587013088 ZKIYBHBQDBMZGC-UHFFFAOYSA-N 376.485 4.287 0 1 GIAF Cc1csc(SCc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1 587021867 QUHONUWPWBOQJT-UHFFFAOYSA-N 380.498 4.386 0 1 GIAF Cc1cnc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc2c1 587026944 NSQRFQQDNHTYTP-NXHRZFHOSA-N 380.517 4.403 0 1 GIAF Cc1c(Br)ccc2nc([C@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 587042957 OAOHROCJHOLYLN-GFCCVEGCSA-N 382.327 4.254 0 1 GIAF Cc1c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cnn1-c1ccc(Cl)cc1 587075565 IHDGLLJSWNLBLK-UHFFFAOYSA-N 377.835 4.262 0 1 GIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)ncc2[nH]1 587081226 YDIFGFOMMDCDQX-LLVKDONJSA-N 390.672 4.098 0 1 GIAF N[C@H](Cc1ccc(I)cc1)c1nc2ccc(Cl)cc2[nH]1 587184775 WAKHHSPKJBLSAV-GFCCVEGCSA-N 397.647 4.063 0 1 GIAF C[C@@]1(c2cnc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330744 OXHKNQBPUWTBQN-ICSRJNTNSA-N 384.794 4.249 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C=C(c4ccncc4)Oc4ccccc41)[C@@H](C2)C3=O 587436790 TZQGEJJWZBMOQC-UUOWRZLLSA-N 383.403 4.167 0 1 GIAF COc1cc2c3c(c1)O[C@](c1cccs1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587450850 LGHWAWGFIOZMAS-KSFYIVLOSA-N 392.432 4.146 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc(Br)c1OC)CC2=O 587457857 CPNLOVLMRDYLAJ-OAHLLOKOSA-N 392.249 4.217 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)ccc1-n1cccn1)CC2=O 587475110 JIOAAHUNDKSHPK-NRFANRHFSA-N 378.428 4.246 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCOC[C@H]1OCc1ccccc1)CC2=O 587493600 UNHDIRKQZZZLAV-FYYLOGMGSA-N 382.456 4.054 0 1 GIAF CCOC(=O)c1c(N)oc(C)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511814 SAMDMCATFPJCPP-JOCHJYFZSA-N 383.444 4.106 0 1 GIAF CCOC(=O)[C@]1(c2ccc(OCC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523559 KBVTVDAUTIOWNH-XMMPIXPASA-N 394.467 4.388 0 1 GIAF CCOC(=O)[C@]1(CC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595949 MCBYULPTLRQUEN-HTAPYJJXSA-N 384.428 4.092 0 1 GIAF COc1cc(OC)cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587600230 NECZPKDWLRTKBV-OFNKIYASSA-N 392.407 4.286 0 1 GIAF COC(=O)C(=O)c1c(-c2cn(C)c3ccccc23)[nH]c2ccc(F)c(Cl)c12 587631950 NJWLUCGNLCPACP-UHFFFAOYSA-N 384.794 4.475 0 1 GIAF O=C(COCc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660652 QYCXKOJMNKRXSB-UHFFFAOYSA-N 388.398 4.060 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(C)n[nH]c1C 587860387 UYELBDZKAHXDGL-UHFFFAOYSA-N 379.247 4.284 0 1 GIAF C[C@H]1CCc2c(sc3nc(SCc4ccc(Cl)cc4)n(N)c(=O)c23)C1 958059180 ZRASXQTZFBBGOQ-JTQLQIEISA-N 391.949 4.242 0 1 GIAF COc1cc2c(cc1OC)[C@@](CNC1CCCC1)(c1ccccc1)N(C)[C@H](C)C2 962637432 WUWUTFBYSOYCDM-IQGLISFBSA-N 394.559 4.356 0 1 GIAF Cc1ccc2c(c1)[C@]1(CC(C)(C)O2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732178 XPZBRDUFEQOERW-LAUBAEHRSA-N 389.417 4.445 0 1 GIAF CCOc1ccc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cn1 962954581 JMBAJKATSIVSFQ-LJQANCHMSA-N 392.421 4.240 0 1 GIAF Cc1coc2c1[C@]1(CC(C)(C)C2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957493 BUULCZBLDPFQRH-RBZFPXEDSA-N 395.833 4.335 0 1 GIAF CCOC(=O)[C@H]1CC[C@]2(C=C1C)c1ccsc1CCN2Cc1cccnc1 963000306 VGLVHHBAGLABLN-AVRDEDQJSA-N 382.529 4.316 0 1 GIAF O=C(O)c1cccc2c1CCN[C@@H]2c1nc2ccccc2n1Cc1ccccc1 963134989 VDWKKNHPJJCJHF-QFIPXVFZSA-N 383.451 4.018 0 1 GIAF CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@@H]1c1cccs1 1857565708 VKIVOPGDHLRXOT-CQSZACIVSA-N 393.390 4.492 0 1 GIAF CC(C)(C)N=c1[nH]c(-c2cc(Cl)ncc2C(F)(F)F)nc2cnccc12 1857603153 CWHJYWBPKDUCHD-UHFFFAOYSA-N 381.789 4.391 0 1 GIAF CN[C@@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356418463 KHBOEHDNAZWJMH-VCNBDGLVSA-N 389.624 4.365 0 1 GIAF CC1=C(C(=O)Nc2cc(C(=O)N(C)Cc3ccccc3)ccc2C)SCCO1 15941617 IPALYHJAJIPRHF-UHFFFAOYSA-N 396.512 4.201 0 3 GIAF CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 3816736 HHAUAECIUWZNID-UHFFFAOYSA-N 387.436 4.069 0 1 GIAF O[C@@]12CCCC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)N(Cc1ccc(F)cc1)CC2 6576846 NHBIUSXQFCMSRS-UEVCKROQSA-N 383.463 4.423 0 1 GIAF Ic1ccc(O[C@H](c2ccccc2)C2CCNCC2)cc1 13530872 SYSNRBOWLLUVAY-GOSISDBHSA-N 393.268 4.411 0 1 GIAF CC1(C(=O)NCCCCN2CCN(c3ccc(Cl)cc3)CC2)CCCCC1 28229754 UFWPYANZTHOAEN-UHFFFAOYSA-N 391.987 4.329 0 1 GIAF Cc1nn(CC2CCCCC2)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12 28525022 FQEVKKJDKBSGQW-UHFFFAOYSA-N 387.487 4.303 0 1 GIAF COc1cccc(/N=c2\scc(CC(=O)Nc3ccc(Cl)cc3)n2C)c1 29125229 NIIREMUGEYRXJN-QOCHGBHMSA-N 387.892 4.162 0 1 GIAF NC(=O)c1cccc(-c2cnc([C@H](O)CCc3ccc(-c4ccccc4)cc3)o2)n1 29135766 FPTLNKNHISNULV-OAQYLSRUSA-N 399.450 4.169 0 1 GIAF COc1cc(Cl)cc(CN2CC[C@@]3(CCCN(CC4CC4)C3)C2)c1OC 39515548 JIVPPSKDZUVJRA-OAQYLSRUSA-N 378.944 4.055 0 1 GIAF Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CCC2CCCC2)c1 43016127 VLMFZDMYBOXYJH-UHFFFAOYSA-N 382.504 4.088 0 1 GIAF Cc1cccc(OCC2CCN(c3ncc(C(=O)NC4CC4)cc3Cl)CC2)c1 45191324 COODHXFWSUURHO-UHFFFAOYSA-N 399.922 4.231 0 1 GIAF CNCCN1CCC(c2cc(C)c3[nH]c(-c4ccc(F)cc4OC)nc3c2)CC1 45288480 GBMDFYLUPGWOCT-UHFFFAOYSA-N 396.510 4.085 0 1 GIAF O=C(NC1CCN(Cc2ccc(O)cc2)CC1)c1ccc(Cl)c(Cl)c1 45302614 FVSHABCLORJWCL-UHFFFAOYSA-N 379.287 4.093 0 1 GIAF CCN(C(=O)c1cccc2c1OCC2)c1ccnc(N[C@@H](C)c2ccccc2)n1 49072333 PXLGKSQQCMILTB-INIZCTEOSA-N 388.471 4.251 0 1 GIAF Oc1nnc(C2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)s1 64446933 SAHGGUUGMHJKHX-UHFFFAOYSA-N 389.484 4.238 0 1 GIAF Cc1ccc(CNc2ncnc3c2nc(CC(C)C)n3C[C@@H]2CCCO2)cc1 82179290 AAPMREGYOUFKPY-SFHVURJKSA-N 379.508 4.124 0 1 GIAF CCCCCNc1ncnc2c1nc(-c1ccoc1)n2CC[C@@H]1CCCN1C 82186310 BTHBGUNFEMSKKX-KRWDZBQOSA-N 382.512 4.173 0 1 GIAF COc1ccc(Sc2ccccc2CSC(=N)N)c(CSC(=N)N)c1 84690960 CXRHXJYNKBOVOY-UHFFFAOYSA-N 392.575 4.100 0 1 GIAF CC1(C)Oc2ncnc(N)c2N[C@@H]1c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 101448012 HFRMBAKVLJMJNB-BIENJYKASA-N 396.491 4.132 0 1 GIAF Cc1ccc2c(c1)CCN2S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1 299824832 XNUXTYODWHMLMY-UHFFFAOYSA-N 380.469 4.279 0 1 GIAF CC[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 586886666 CPFANCNCWKCLOI-VLIAUNLRSA-N 385.489 4.276 0 1 GIAF O=S(=O)(Cc1ccccc1-c1nc2cc(Cl)ncc2[nH]1)c1ccccc1 586921853 OFGYWNRRCQJISW-UHFFFAOYSA-N 383.860 4.252 0 1 GIAF COc1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 586966692 QKLKILYFTJHTFG-UHFFFAOYSA-N 391.500 4.381 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc(-c3c(Cl)[nH]c4ccccc34)nc-2[nH]1 587087048 HEYGDEVTANFIOG-UHFFFAOYSA-N 390.834 4.424 0 1 GIAF CCOC(=O)[C@H](Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C(C)=O 587098772 UDTJBQYZVHSWLD-LJQANCHMSA-N 387.435 4.065 0 1 GIAF Fc1cc(F)c(-c2nc3ccnc(Br)c3[nH]2)cc1Br 587137941 SYAYZCPMRVOJFH-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(Cl)c(C)c3[nH]2)cc1 587224947 LJQFHOBIANMLAJ-UHFFFAOYSA-N 386.839 4.023 0 1 GIAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@@]12C[C@@H]3C[C@H]1C[C@@H](C3)C2 587274363 UBUZZKXTYLLEJC-WOTMACRDSA-N 376.250 4.092 0 1 GIAF C[C@]1(c2cnc3ccccn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341734 XILSUHLPBNIOBG-JTHBVZDNSA-N 388.398 4.453 0 1 GIAF CCOC(=O)[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587347601 LRVGTPGBTVQBAF-GREBRCKQSA-N 398.430 4.382 0 1 GIAF O=C1C[C@@H](C2CCN(Cc3cccnc3)CC2)Oc2c1ccc1c2CCCC1 587512874 GFRXKHAVVRYSDZ-QHCPKHFHSA-N 376.500 4.206 0 1 GIAF O=C1C[C@H](c2ccc(N3CCC(O)CC3)cc2)Oc2c1ccc1c2CCCC1 587513774 LEDSEIZMFPBCDZ-HSZRJFAPSA-N 377.484 4.233 0 1 GIAF CCOC(=O)C(=O)C[C@]1(C2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587525207 TZRWRAWMLMJJJJ-DEOSSOPVSA-N 398.499 4.372 0 1 GIAF Cc1ccc(C(=O)O)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605985 COIWYRDKYCHDKB-WMZHIEFXSA-N 390.391 4.276 0 1 GIAF CCCn1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587759144 SQWRSADQPDKWCI-VOJFVSQTSA-N 380.305 4.301 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(Cc3ccccc3)C2)N1 587770697 SQNRGRYRZLFGCX-VLIAUNLRSA-N 389.312 4.224 0 1 GIAF COC(=O)Cc1ccccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587783051 FCNNSJCGUOXYRT-UHFFFAOYSA-N 379.641 4.361 0 1 GIAF Cc1cccc2c1OCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587834225 KFPBQVQYCCKXFO-CWTRNNRKSA-N 376.269 4.457 0 1 GIAF C[C@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccc(Cl)cc1 653825428 VSAFVGCQDRSBFK-AWEZNQCLSA-N 397.862 4.465 0 1 GIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1cncc(O)c1 961777236 BZOCRYCWYFMAET-HXUWFJFHSA-N 381.476 4.028 0 1 GIAF CCCc1ccc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962972444 IQJMJWSLWNOYPG-OXQOHEQNSA-N 379.834 4.433 0 1 GIAF O=C(O)c1cccc2c1CCN[C@@]21CCCc2sc(-c3ccc(F)cc3)nc21 963130560 JWFAJAYUVQIICC-QFIPXVFZSA-N 394.471 4.373 0 1 GIAF C[C@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC[C@H](c2ccccc2F)C1 1772613747 PPECTGCFLSGBEM-CABCVRRESA-N 395.482 4.337 0 1 GIAF COc1cc2c(cc1NC(C)=O)CC[C@H]1C(C)(C)c3nc(C)ncc3C[C@]21C 1857553902 DRZKGHXAAUIDKO-NZQKXSOJSA-N 379.504 4.106 0 1 GIAF COc1cc2c(cc1OC)-c1nc3ccc(Cl)cc3c(NCCN(C)C)c1C2 1857616888 FRBPRAJDBLIPPC-UHFFFAOYSA-N 397.906 4.450 0 1 GIAF O=C(Nc1ccc(F)cc1F)c1cc(O)nc2cc(Br)ccc12 1857745899 HHJIFPUCTZJWLM-UHFFFAOYSA-N 379.160 4.233 0 1 GIAF CN1c2ccccc2C(c2ccccc2)=NC[C@H]1CCNC(=O)c1cccs1 3955493 PYCHFYLMMMZMSJ-GOSISDBHSA-N 389.524 4.224 0 1 GIAF CC(C)NS(=O)(=O)c1cccc(-c2ccc(CCN3CCC[C@H]3C)cc2)c1 43018704 AJSKKEBQWSIBTH-GOSISDBHSA-N 386.561 4.067 0 1 GIAF CC(=O)NCCC1=C(c2ccccc2OC(C)C)Cc2ccc3c(c21)CCO3 71317855 YXIYHVCEIJOWOH-UHFFFAOYSA-N 377.484 4.402 0 1 GIAF CCCCCCN1C[C@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(OC)cc1 72138193 ZAUXEZACOUTYCB-ZLNRFVROSA-N 398.551 4.093 0 1 GIAF COc1cccc(OC)c1-c1cnnc(NCc2cc3ccccc3s2)n1 95581777 WZFJPLGBASEIRV-UHFFFAOYSA-N 378.457 4.383 0 1 GIAF CCn1c2c(c3ccccc31)CCN1CC[C@@H](N(C)C(=O)c3ccccc3)C[C@@H]21 169322541 JHMRKDAXIKLUEL-XXBNENTESA-N 387.527 4.495 0 1 GIAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(-c2cncnc2)c1 205958252 AYKUEWOSJXTGOQ-UHFFFAOYSA-N 394.740 4.343 0 1 GIAF N=c1[nH]c(-c2cccc(-c3nc4ccc(Br)c(O)c4[nH]3)c2)cs1 587020464 AFDFGPTZTOTESE-UHFFFAOYSA-N 387.262 4.234 0 1 GIAF Brc1cncc2nc(-c3ccccc3OCc3cscn3)[nH]c12 587029334 OLXLKCAYDYYNAA-UHFFFAOYSA-N 387.262 4.423 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587076947 PUNUCIQNJIFRIP-HNNXBMFYSA-N 390.226 4.273 0 1 GIAF COc1cc(N)c(I)cc1-c1nc2cccc(Cl)c2[nH]1 587180294 MGVMPWXWDAXZLW-UHFFFAOYSA-N 399.619 4.079 0 1 GIAF CCCCCOc1cc2nc(Cc3ccc(=N)[nH]c3)[nH]c2cc1Br 587253679 NCGQKRKUWXCVHK-UHFFFAOYSA-N 389.297 4.293 0 1 GIAF O=C1c2ccc(O)cc2O[C@](C(=O)O)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 587338402 XCTUAIHHLUEDTL-DENIHFKCSA-N 396.345 4.009 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(SC)sc(SC)c1CO)[C@@H](C2)C3=O 587451047 IQJABLFKVPSWQJ-QFYYESIMSA-N 394.539 4.182 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc(Br)c1F)CC2=O 587467753 RDRVVGGVRHZKMC-CQSZACIVSA-N 380.213 4.348 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(C)c(C)c1)CC2=O 587483593 RNSSHVYHJQKZLZ-QHCPKHFHSA-N 382.456 4.385 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)CC)cc1)CC2=O 587486162 LMFDFKXEQQACGT-OAQYLSRUSA-N 388.485 4.019 0 1 GIAF COC(=O)[C@@H](C)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520877 GMFHPLUUULXIBQ-SPLOXXLWSA-N 380.440 4.212 0 1 GIAF CCCS(=O)(=O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587532563 OQOHDKCGLFHZON-OAQYLSRUSA-N 384.497 4.456 0 1 GIAF Cc1ccc(OC(F)F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587553567 FUPGXIZZFJXYCS-OXJNMPFZSA-N 399.349 4.400 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2nsnc12 587618656 PKKAMFBBOOJBNK-JXFKEZNVSA-N 376.393 4.100 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587819580 BFTCQPQQBTXCEJ-JHNWNNRRSA-N 382.317 4.135 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H](CC(=O)O)C2(C)C)N1 587825776 FHXUNNQQIZMPIR-ILKIAPMBSA-N 398.316 4.475 0 1 GIAF CN(c1ccc(-c2csc(-c3ccc(F)cc3F)n2)cc1)S(C)(=O)=O 587923788 OQZTYYINNSOJSM-UHFFFAOYSA-N 380.441 4.151 0 1 GIAF O=C(/C=C/c1ccccc1)NCCCN=c1c2c([nH]c3ccccc13)CCCC2 653707668 CDHQNGWIRVRVRH-FOCLMDBBSA-N 385.511 4.167 0 1 GIAF CN1C(=O)CCc2cc([C@H]3c4ccsc4CCN3Cc3cccn3C)ccc21 962397786 LYFMDIXYNIFYTH-QHCPKHFHSA-N 391.540 4.143 0 1 GIAF COc1ccc2c(c1OC)[C@@](C)(c1ccc(Br)nc1)N(C)[C@@H](C)C2 962564203 GQILASCWKPCYAJ-HXPMCKFVSA-N 391.309 4.001 0 1 GIAF Cc1ccc(C(=O)[C@@]2(c3ccccc3)NCCc3c(C(=O)O)cccc32)cc1C 963131251 MTWZSQBRPWEUBY-VWLOTQADSA-N 385.463 4.274 0 1 GIAF C[C@@H]1C(=O)c2cc(C(=O)Nc3cccnc3)c3c(c2O[C@@H]1C)C=CC(C)(C)O3 1772577454 HIVFAIHMZMIBRR-QWHCGFSZSA-N 378.428 4.118 0 1 GIAF CC(C)Oc1ncccc1Nc1ncnc2cc(N=S(C)(C)=O)cc(F)c12 1772599072 IQHVZDKRSIICRT-UHFFFAOYSA-N 389.456 4.054 0 1 GIAF Cc1ccc(N[C@H]2CCc3nnc(C)n3-c3ccc(-c4ccc(=N)[nH]c4)cc32)cc1 1857577115 ADYNVVWANYTWDZ-NRFANRHFSA-N 396.498 4.458 0 1 GIAF CCOC(=O)Cn1cc(-c2nc3ccccc3nc2Cl)c2cc(OC)ccc21 1857616015 BTTMBJUVQUXNAF-UHFFFAOYSA-N 395.846 4.477 0 1 GIAF CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccc(F)cc2)Cc2c1[nH]c1ccccc21 1911577764 DEPULVQYXCJODH-SFTDATJTSA-N 379.479 4.225 0 1 GIAF CO[C@@H]1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc2c(c1)CCC(C)(C)O2 2356415648 ROKYRSDVVZPKIE-JOCHJYFZSA-N 380.440 4.021 0 1 GIAF Cc1ccc2c(c1)N(CC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)C(=O)c1cccnc1O2 6878064 BJSBMECVEKPDDO-RYRKJORJSA-N 393.487 4.083 0 1 GIAF Cc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2)n(-c2cccc(C(=N)N)c2)n1 12355119 YCAWZJDLZVOETK-UHFFFAOYSA-N 395.466 4.384 0 1 GIAF CS(=O)(=O)c1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(F)cc2)cc1 13762088 SAIACBNNMWKMEJ-UHFFFAOYSA-N 384.354 4.101 0 1 GIAF O=C(O)[C@@H]1CCCN(CCCOCCCN(c2ccccc2)c2ccccc2)C1 13801414 WXMWCAGHZLFTMJ-OAQYLSRUSA-N 396.531 4.418 0 1 GIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccncc2)C2=C(O)CC(C)(C)CC2=N1 19770317 HKVLIEDYXBFTCT-JXFKEZNVSA-N 396.487 4.248 0 1 GIAF Cc1cc(-c2c(-c3ccc(S(N)(=O)=O)cc3)ccc(F)c2F)ccc1F 28376676 QFQARRRBOOEZGA-UHFFFAOYSA-N 377.387 4.394 0 1 GIAF COc1ccc2[nH]cc(CN3CCC(O)(c4ccc(SC)cc4)CC3)c2c1 28878511 LIFHVPXIKLLTMH-UHFFFAOYSA-N 382.529 4.382 0 1 GIAF COc1ccccc1-c1c(-c2ccccc2)c(-c2ccccc2)nn(CCO)c1=O 29204655 PZFURPOUQCOAFX-UHFFFAOYSA-N 398.462 4.245 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2F)cc1 29407223 CNSBCDIDZPMCLT-UHFFFAOYSA-N 399.369 4.069 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCCC[C@H]1[C@H](O)[C@@H]3O 33820905 HVAWCRJIBNFWOY-WWLVQRPDSA-N 392.580 4.478 0 1 GIAF COC(=O)c1c(N)nnc2c(C)c(C)c(O)c(Sc3ccc(C)c(C)c3)c12 34816850 VGALAGMNJWKDKG-UHFFFAOYSA-N 383.473 4.089 0 1 GIAF N[C@@H](Cc1cccc2ccccc12)C(=O)Nc1cncc(/C=C\c2ccncc2)c1 37867096 WZSVRUCBLPTNFX-HMLKYZKVSA-N 394.478 4.309 0 1 GIAF CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3ccc4nccnc4c3)C2)cc1 39445517 HUTIBRCGWIQROS-QGZVFWFLSA-N 391.496 4.087 0 1 GIAF COc1cc(CNc2cc(Oc3cccc(F)c3)ncn2)cc(OC)c1OC 82067453 SPYNPQBDNWBILL-UHFFFAOYSA-N 385.395 4.046 0 1 GIAF CC1(C)CCC[C@H]1N1C(=O)CC(=O)N(CCc2cccc(C(F)(F)F)c2)C1=O 101677922 BBOLISGYTISJHF-OAHLLOKOSA-N 396.409 4.008 0 1 GIAF Cc1cccc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1 116826383 OFVUGECFZLTJIE-QZTJIDSGSA-N 389.524 4.327 0 1 GIAF O=C(NCc1cccc(OC(F)F)c1)Nc1nc(-c2ccncc2)cs1 165996318 FBMJQQSDGDXVTK-UHFFFAOYSA-N 376.388 4.128 0 1 GIAF O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2ccccn2)C1 219401222 OAMJRWUIWCSIBZ-UHFFFAOYSA-N 385.254 4.044 0 1 GIAF O[C@H](COc1ccc(OCc2ccccc2)cc1)CN1CCc2ccccc2C1 219732613 ZFHVQTAPWPBIPE-QHCPKHFHSA-N 389.495 4.064 0 1 GIAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cccc(Cl)c4[nH]3)CC2)cc1 586955516 QBEOEEWCNYBNCT-UHFFFAOYSA-N 389.908 4.093 0 1 GIAF O=C(O)CSc1ncccc1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 586968405 NYXKBAICTPVZMK-UHFFFAOYSA-N 389.436 4.033 0 1 GIAF COc1cc(/C=C/c2nc3cc(F)cc(C(=O)O)c3[nH]2)ccc1Br 586977066 MYQFQGVYYDGQAJ-HWKANZROSA-N 391.196 4.342 0 1 GIAF Clc1cccc(-c2cc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)n[nH]2)c1 587068193 KZLCWNYIPWJAHJ-UHFFFAOYSA-N 393.878 4.106 0 1 GIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)cc2N1 587127087 RFABIIFOWBHCLE-WKEGUHRASA-N 390.291 4.148 0 1 GIAF N[C@@H](Cc1nc2cnc3ccccc3c2[nH]1)c1ccc(Br)cc1F 587143596 AJUMTVHJCSFYBP-AWEZNQCLSA-N 385.240 4.255 0 1 GIAF CC(C)(C)c1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587204517 ZIOQPVWKMBKVOX-GOSISDBHSA-N 395.459 4.303 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4cc(Br)ccc14)[C@@H](C2)C3=O 587416795 FOZGYVOEPUOLIK-DJJJIMSYSA-N 384.229 4.428 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](C)C(=O)OCC)CC2=O 587477483 CQHOGMDMRZYART-CMJOXMDJSA-N 382.456 4.405 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cncc2c(Cl)n[nH]c12 587550732 BQNOBVCOHWGXKP-KXBFYZLASA-N 393.786 4.020 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(C(=O)O)c2)N1 587829412 WOGCGNCXWMFBHB-MLCYQJTMSA-N 378.241 4.084 0 1 GIAF Clc1cnc2c(c1)[C@@]1(CCO2)NC2(CC2)Cc2ccc(Br)cc21 961615577 PWAZQQDPFHIWHF-SFHVURJKSA-N 391.696 4.202 0 1 GIAF CCC(CC)CN=c1c(C(N)=O)c[nH]c2ccc(-c3ccc(COC)cc3)cc12 1857599500 LWCNAFKJBINERT-UHFFFAOYSA-N 391.515 4.417 0 1 GIAF CC=C(C)C(=O)O[C@]1(C)C(=O)C[C@@H]2[C@@H]1CC[C@]1(C)[C@H](OC(C)=O)CC=C(C)[C@@H]21 2356544327 LCPAXKXEUBDQBL-ULOCFDLRSA-N 388.504 4.158 0 1 GIAF COC(=O)C=C1CC[C@]2(O1)[C@H](C)CC[C@@H]1C(C)(C)[C@H](OC(C)=O)CC[C@]12C 2356611083 IFXOQBCVGIFCLI-OJNQEUHNSA-N 378.509 4.397 0 1 GIAF Cc1cc(OCc2cc(C(=O)N(C)CC3CCOCC3)no2)cc(C)c1Cl 12572045 TWGZFWARKNSYAG-UHFFFAOYSA-N 392.883 4.022 0 3 GIAF Cc1ccc(F)cc1CNC(=O)c1cc(COc2ccc3ncccc3c2)on1 13594219 HZRLZOPIKXRHDA-UHFFFAOYSA-N 391.402 4.179 0 3 GIAF CCC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(C)cc1c2=O 61921270 KCMNGDJSKHSKAL-HXUWFJFHSA-N 383.451 4.432 0 3 GIAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773563 HKBWKPOCLIMDFE-MLGOLLRUSA-N 388.464 4.346 0 1 GIAF COc1cc(CO)c(-c2ccc3c(c2O)[C@H](C)N[C@@H](C)C3)c2cccc(O)c12 1635096 ZQSUAGVTKAZDJV-STQMWFEESA-N 379.456 4.014 0 1 GIAF biogenic COC(=O)C1=C(C)CC(C)=C(C(N)=O)[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 3959448 DNFNUSDTYWOHEP-HNNXBMFYSA-N 387.785 4.137 0 1 GIAF COc1cccc(-c2nc3ccc(C(=O)N(C)[C@@H](C)c4ccncn4)cc3o2)c1 12718117 HPQWIOMHZOHYTK-AWEZNQCLSA-N 388.427 4.127 0 1 GIAF CC(C)(C)c1ccc(N2CCN(Cc3ccc4ccc(=O)oc4c3)CC2)cc1 13800749 YLFQTNBHHNJQBL-UHFFFAOYSA-N 376.500 4.413 0 1 GIAF COc1cc(/C=C\COC(=O)CC(C)C)cc(OC)c1OC(=O)CC(C)C 14709473 RKTHCRKFQVOZAW-FPLPWBNLSA-N 378.465 4.258 0 1 GIAF biogenic,in-vitro Cc1ccc2c(c1)CCCN2CCNC(=O)Nc1ccccc1Br 14973974 WIBHDRWSMPUJHI-UHFFFAOYSA-N 388.309 4.332 0 1 GIAF Nc1cc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)ccc1F 28572136 HFRGSVIKEOBJHY-UHFFFAOYSA-N 385.395 4.179 0 1 GIAF COCCSc1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1 45320626 POZWNJMOJKSPRM-FOIQADDNSA-N 379.953 4.333 0 1 GIAF COc1cccc2c(C(=O)N3CCN4CCC[C@@H]4C3)cn(CC3CCCCC3)c12 64539845 VFZFMQYNVZKWNF-LJQANCHMSA-N 395.547 4.150 0 1 GIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cccc(-n2cccn2)c1 167275209 DWOODTIOFBPZLY-IBGZPJMESA-N 391.471 4.143 0 1 GIAF CC(C)(C)OC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 169324993 NBHMWIWFTLXHNU-SFTVZBSLSA-N 375.553 4.466 0 1 GIAF CCCOc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(C)cn1 169709320 NSXMEOFWOGVUSJ-LAUBAEHRSA-N 397.519 4.034 0 1 GIAF CC(=O)Nc1ccc(Cl)c(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)c1 203007467 UVKZVDOXDXPNEA-UHFFFAOYSA-N 397.870 4.485 0 1 GIAF O=C(O)C[C@H](NC(=O)c1cccc(-c2ccccc2Cl)n1)c1ccccc1F 203335882 SJPOOVCNWZMFAE-IBGZPJMESA-N 398.821 4.487 0 1 GIAF COC(=O)/C1=C/CC[C@H](C(=O)OC)[C@H]2C[C@@H](CC/C(C)=C\CC1)C(C)(C)O2 238768460 UIOPZIKIYCIVFP-LPKJEERPSA-N 378.509 4.359 0 1 GIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3ccc(C(C)=O)cc3)cc2)C[C@H]2CC[C@H]1N2C 253634205 QOGDDOWLBRAWFT-KAOXLYBCSA-N 377.484 4.296 0 1 GIAF C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)COc1ccc2ccc(=O)oc2c1 257636609 XYUJBOZUFFMPGO-GUGTZUFSSA-N 398.499 4.200 0 1 GIAF endogenous,in-man O=C(/C=C/c1ccccc1)N1Cc2ccccc2[C@@H](OCc2ccccc2)[C@@H]1CO 299868153 RAEXNYKHRYPKBE-TXZXEOSYSA-N 399.490 4.361 0 1 GIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1O 299881869 OUAMMVPUGWXLEZ-NXWXRZEISA-N 378.538 4.182 0 1 GIAF CC1(C)OC(=O)C[C@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586906501 NAFMWMKCTOHZNV-LURJTMIESA-N 377.160 4.153 0 1 GIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Cl)c(F)cc2[nH]1 586971980 CNLDRJLLHBXFBJ-QGZVFWFLSA-N 377.872 4.466 0 1 GIAF COc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1OC 587077062 RNUNWWHBHMYOFZ-UHFFFAOYSA-N 384.823 4.069 0 1 GIAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cncnc4[nH]3)c(Cl)cc12 587077799 AANYXFRKPCSINW-SNVBAGLBSA-N 384.823 4.205 0 1 GIAF Clc1ncc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2n1 587080841 GRBSDMQGLPNXMU-UHFFFAOYSA-N 382.214 4.036 0 1 GIAF COC(=O)c1cc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2cn1 587121754 GHDQGWALFVFMST-UHFFFAOYSA-N 397.378 4.077 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(OC)ncc4[nH]3)c(F)c2)c1 587147115 HFUPLIJWORPOTG-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)c(Cl)nc3[nH]2)CCC(=O)CC1 587234388 LSRHONDNLZPVAM-UHFFFAOYSA-N 399.278 4.128 0 1 GIAF O=C(Nc1ccccc1)c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 587243147 BOZXTMSQTJAFFG-UHFFFAOYSA-N 383.333 4.291 0 1 GIAF Cc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 587340172 SGDRCMAFYVSGJD-UNMCSNQZSA-N 378.403 4.212 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)cc(I)c1)O2 587386303 JECIWTCZFBORND-OAHLLOKOSA-N 397.187 4.027 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCCc4[nH]c5ccc(OC)cc5c41)[C@@H](C2)C3=O 587438140 MQTULCOLTWADLA-HJPURHCSSA-N 375.424 4.164 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cn(Cc3ccc(Cl)cc3)nn1)CC2=O 587458602 AVOLMIYBBKQHGF-FQEVSTJZSA-N 397.862 4.344 0 1 GIAF CCOC(=O)C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595204 JWUDWDSNGWCVEK-PGRDOPGGSA-N 384.428 4.092 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2oc(CO)cc2c1 587619344 WZBANTRGAVQNFF-OFNKIYASSA-N 388.375 4.334 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)[nH]2)N1 587680369 IRGFQQSYHMKUNS-WJWGPLDTSA-N 388.078 4.302 0 1 GIAF COc1cc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722399 YSRFOGGBOKDLGZ-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3cccn3)cc2)N1 587761212 UEOTVSJGVZTOII-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn([C@H]3CCCCO3)n2)N1 587766711 WNEVRALIKKGSKI-AFBMGJRZSA-N 394.288 4.107 0 1 GIAF CCOC(=O)[C@@]1(C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587797649 MRTJJZCMBWSCJQ-BLVKFPJESA-N 398.316 4.461 0 1 GIAF COC(=O)[C@@H]1CCC(C)(C)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587808986 PPBJAOAMBWEIQH-AGMRTUQYSA-N 398.316 4.317 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cn(CC)nc1C 587860415 UFFZZNJKFRSKOE-UHFFFAOYSA-N 393.274 4.469 0 1 GIAF CCOc1ccc(NC(=O)CCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874208 XGBIXBKJFQGBPU-UHFFFAOYSA-N 395.390 4.253 0 1 GIAF O=C(O)CCc1ccc(-c2cccs2)n1-c1n[nH]c(-c2ccccc2F)n1 587945575 LIIVWLQZXHJDPR-UHFFFAOYSA-N 382.420 4.147 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc(C(C)(C)c3ccccc3C)[nH]c2c1 587955374 NZYWRPIJZPJKJN-UHFFFAOYSA-N 385.533 4.228 0 1 GIAF COc1cc([C@H]2COc3cc4c(c(OC)c3C2)C=CC(C)(C)O4)c(O)cc1O 653790520 XKABRFUGMYKKFY-GFCCVEGCSA-N 384.428 4.018 0 1 GIAF CCC[C@]1(c2ccc(F)cc2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962636209 POIWWHRXXUJMRN-HNAYVOBHSA-N 397.368 4.367 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1ccc(O)cc1OC(F)(F)F)N(C)[C@H](C)C2 962641710 UDCTUGDPJXMFKU-NSPYISDASA-N 397.393 4.274 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@]12C 6201911 KXGVEGMKQFWNSR-RUTSTALFSA-N 392.580 4.478 0 1 GIAF COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C2=O)cc1OC1CCCC1 27325905 JBVQAXYIVKTGGW-INIZCTEOSA-N 375.465 4.268 0 1 GIAF COc1cc2c(cc1OC)S[C@@H](C(=O)CCc1cc[n+](CC3CCC3)cc1)C2 28456845 XHRVEAIUOVPSMY-HSZRJFAPSA-N 398.548 4.010 0 1 GIAF CCOC(=O)c1ccc(COc2cccc(-c3cc(C(=O)OCC)no3)c2)cc1 45259957 VWFGJCGHNCAJJT-UHFFFAOYSA-N 395.411 4.274 0 1 GIAF CCN(CC)Cc1ccc(/C=C/c2cc(-c3cc4c(=O)nc[nH]c4[nH]3)ccn2)cc1 60129784 KQJAABRPYRXXCA-MDZDMXLPSA-N 399.498 4.325 0 1 GIAF C[C@H]1[C@@H](NC(=O)c2cnc(N3CCCC3)nc2-c2ccco2)C[C@H]2C[C@@H]1C2(C)C 82141994 KWCXTKYDIZUGTI-LMSBXDPUSA-N 394.519 4.137 0 1 GIAF CC(C)CNc1ncnc2c1nc(-c1cccs1)n2CC[C@@H]1CCCN1C 82178045 LRNYTHKBHUCGJK-HNNXBMFYSA-N 384.553 4.107 0 1 GIAF Cc1nc2ccc(OC(F)(F)F)cc2n1-c1ccc(C(=O)NC2CC2)s1 84602841 KQUZVFUUJYDGHG-UHFFFAOYSA-N 381.379 4.186 0 1 GIAF COc1cc2c(C[C@@H]3CCC[C@@H](C)C3)c(C(=O)Nc3nn[nH]n3)sc2cc1C 95565943 VFNNESNZARAGRT-DGCLKSJQSA-N 399.520 4.353 0 1 GIAF CCC[C@H](Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@H](CC)CN 96174987 UZUNZLBTOKJXFM-APWZRJJASA-N 389.503 4.477 0 1 GIAF CC(C)n1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@H]1CC[C@H](C2)N1 100632773 LFEAFGOATXWVAQ-DNVCBOLYSA-N 380.513 4.404 0 1 GIAF O=C(O)CCc1ccc(CCNC(=O)c2cc(C(F)(F)F)ccc2Cl)cc1 103299072 CIGDVGNZKXIUJF-UHFFFAOYSA-N 399.796 4.349 0 1 GIAF CC(C)[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2 142417757 XDNPLXGWIRNQMB-SFHVURJKSA-N 396.270 4.442 0 1 GIAF O=C(C(=O)N1CCC(Oc2cccc(Cl)c2)CC1)c1c[nH]c2ccccc12 146545933 VMFFFRDGDUOUHA-UHFFFAOYSA-N 382.847 4.074 0 1 GIAF CCO[P@@](=O)(CC)c1cccc(Nc2cc(-c3cccc(N)c3)ncn2)c1 169346810 YSBBCYQVQXQJLZ-MHZLTWQESA-N 382.404 4.429 0 1 GIAF O=N[C@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cc(C(F)(F)F)ccc21 169722183 MHGQNYSIUVGSEG-OAHLLOKOSA-N 396.296 4.065 0 1 GIAF O=C(NC[C@@H](c1ccc(F)nc1)N1CCC(F)(F)CC1)c1ccccc1Cl 207604493 HXZFPUXTLRZDBI-INIZCTEOSA-N 397.828 4.076 0 1 GIAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3ccc(F)cc3)C[C@H]2CS1 221036569 WMCIURIGHRSLKW-WILYLXEWSA-N 378.419 4.139 0 1 GIAF Cc1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 223665028 KSWKHATWXLSABK-KRWDZBQOSA-N 375.501 4.044 0 1 GIAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc([C@H]2C[C@@H]3CC[C@H]2C3)n1 299860117 ZXYQTBFFNMTFGT-KCITZHQASA-N 381.476 4.106 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1 586890962 RNJAQDWNINLCDN-GCJKJVERSA-N 395.528 4.013 0 1 GIAF O=[S@@](CCCc1nc2cc(Cl)ncc2[nH]1)c1ccc(Br)cc1 586957756 BIABCNOFXJSADD-QFIPXVFZSA-N 398.713 4.114 0 1 GIAF Cc1ccc(-c2nnc(SCc3nc4c(F)cnc(Cl)c4[nH]3)n2C)cc1 586964962 CDOAGPSHLRHECL-UHFFFAOYSA-N 388.859 4.147 0 1 GIAF Ic1cnc2[nH]c([C@H]3SCCc4sccc43)nc2c1 587036541 FKOWRSIXWIJWCP-NSHDSACASA-N 399.282 4.003 0 1 GIAF CCc1cc(OCc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)ccc1Cl 587052955 VMUJSIRAFCELKC-UHFFFAOYSA-N 384.911 4.110 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Cl)c(F)cc3[nH]2)C(F)(F)C1 587133103 XDUKVVFDGLTGRJ-QMMMGPOBSA-N 375.778 4.325 0 1 GIAF CC(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587341357 WEIVQBBPCUFNOK-JTHBVZDNSA-N 391.398 4.403 0 1 GIAF C=Cc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]1 587347250 OQTLXPQJDZGJPY-UGKGYDQZSA-N 378.403 4.480 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)CC2=O 587471386 RPLVOLHSFVZLSZ-ASSNKEHSSA-N 377.481 4.372 0 1 GIAF COC(=O)[C@H](C)[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587527129 VGADFPQMXKMRFA-OWJWWREXSA-N 394.467 4.244 0 1 GIAF CCOC(=O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 587532040 MJELUQPEYOLMDO-XMMPIXPASA-N 390.435 4.266 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccccn1)c1ccccn1 587588119 OZRVKFFLGJINNM-OAQYLSRUSA-N 396.402 4.088 0 1 GIAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587808859 QZKCYYDMBWKZHI-MLCYQJTMSA-N 380.257 4.229 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nc3c(s2)CCC3)N1 587857934 NMMNGJUTULQWBD-XYZCENFISA-N 381.314 4.331 0 1 GIAF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CC3CC3)[nH]c2c1 587960054 VGHVDXIGZCJLST-UHFFFAOYSA-N 395.406 4.335 0 1 GIAF COc1ccc([C@H](C)[C@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653767413 LTAUJUJUDBORKL-DJJJIMSYSA-N 385.460 4.129 0 1 GIAF COc1ccc2c(c1)[C@H](c1ccc(OCCN(C)C)c(OC)c1)N(C(C)C)CC2 962090959 JSGOTNFUQKMNBU-DEOSSOPVSA-N 398.547 4.000 0 1 GIAF COc1ccc2c(Nc3ccc(F)cc3)c(C(=O)C(F)(F)F)c(=O)oc2c1 1772586344 TUGUDBBDSJQIJL-UHFFFAOYSA-N 381.281 4.429 0 1 GIAF O=C1N(c2ccc([C@H]3CC[C@H](N4CCCC4)CC3)cc2)CCC12CCOCC2 1772652925 GYFXWLYWQXBQDY-XUTJKUGGSA-N 382.548 4.342 0 1 GIAF Fc1c(-c2nc3ccccc3c(=NCCCN3CCCC3)[nH]2)[nH]c2ccccc12 1857630655 KGHOGUSXRHEFPX-UHFFFAOYSA-N 389.478 4.237 0 1 GIAF O=C(Nc1ccc(N2C(=O)CC3(CCCCC3)C2=O)c(Cl)c1)c1ccccn1 66139475 YNDMAMUBWKKHPW-UHFFFAOYSA-N 397.862 4.201 0 3 GIAF CCn1c2ccccc2c2cc(N(C)Cc3coc4nc(N)nc(N)c34)ccc21 5847999 XXFANBSUUKPUGP-UHFFFAOYSA-N 386.459 4.151 0 1 GIAF O=C(O)c1cccc(Oc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)c1 13611239 YRYPYMNMXARWCM-UHFFFAOYSA-N 377.352 4.128 0 1 GIAF Cc1c(C(=O)c2cccc3ncccc23)c2ccccc2n1CCN1CCOCC1 13742594 VULCVQOSDHKNHK-UHFFFAOYSA-N 399.494 4.061 0 1 GIAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)NC)cc21 28571930 OUQMYOZRLIWPPV-UGSOOPFHSA-N 399.343 4.088 0 1 GIAF Cc1cc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(N)c34)cc2)ccc1F 29129234 LYHDXABKNJMNEZ-UHFFFAOYSA-N 376.395 4.299 0 1 GIAF O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CNCCO2 34581310 INRAOCPTSHECTL-UHFFFAOYSA-N 378.516 4.044 0 1 GIAF CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/CO[P@@](=O)(O)OP(=O)(O)O 36330529 HGSJQRJNWSBKOL-BZCYSDSTSA-N 378.298 4.184 0 1 GIAF CN(C)c1cccc(C(=O)NC2CCN(Cc3ccc4ccccc4c3)CC2)c1 36351718 AFEVCQVZGROKQD-UHFFFAOYSA-N 387.527 4.300 0 1 GIAF CN(Cc1nc2ccccc2n1CCCCCN)[C@H]1CCCc2cccnc21 45323765 HYADPBAFAIELQN-NRFANRHFSA-N 377.536 4.070 0 1 GIAF Cc1cccnc1-c1cnc2nc(N3CCC(N4CCCCC4)CC3)oc2c1 73296479 VBNSACCZQPDRAM-UHFFFAOYSA-N 377.492 4.048 0 1 GIAF O=C(NCc1ccccc1)c1cnc(N2CCCCC2)nc1-c1ccccc1F 82152331 UPSWSYRCEBABBY-UHFFFAOYSA-N 390.462 4.203 0 1 GIAF Cc1ccc(CNc2ncnc3c2nc(CC(C)C)n3C[C@H]2CCCO2)cc1 82179291 AAPMREGYOUFKPY-GOSISDBHSA-N 379.508 4.124 0 1 GIAF C[C@H]1C/C=C/C[C@@H](c2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)c2ccccc2O1 95665207 AFJZYKXXKFYJLB-VRQHNUCSSA-N 392.499 4.122 0 1 GIAF CNc1ccc(-c2cc(=O)c3cc([125I])ccc3o2)cc1 101079901 QIZWRTNISFPGTO-QZIRHQCUSA-N 375.182 4.106 0 1 GIAF CC(C)CCN(C)Cc1cn([C@@H]2CCCC[C@H]2OC(=O)c2ccccc2)nn1 142111968 MMOBCPONRIIEJU-NHCUHLMSSA-N 384.524 4.097 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(N2CCCC2)c1 166375991 SRCAXQLZTYEFAG-XLIONFOSSA-N 394.515 4.414 0 1 GIAF CC1CCN(C(=O)c2ccc(-c3nc4ccc(O)c(C=O)c4s3)cc2)CC1 199612504 OPQAIYCKOILEEO-UHFFFAOYSA-N 380.469 4.354 0 1 GIAF Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c(-c2nc(C3CC3)no2)c1C 205750465 JEVCBDYTOYYRPV-OLZOCXBDSA-N 389.477 4.122 0 1 GIAF CC(C)[C@@]12C[C@@H](O)[C@@](C)(O1)[C@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1 238777273 VWHNJBKOOIZSEF-ZWSVZAFWSA-N 384.516 4.222 0 1 GIAF COCCCNc1cc(Cl)cc2c(=O)cc(-c3cccc(OC)c3N)oc12 299834008 SPAYGAZFIBEMJY-UHFFFAOYSA-N 388.851 4.153 0 1 GIAF CCOc1ncc(CN2CCC(N(C)Cc3ccccc3Cl)CC2)s1 299866248 VNUYQXSUDSKUDR-UHFFFAOYSA-N 379.957 4.292 0 1 GIAF Oc1cccc([C@H](O)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 586892536 RNWNYBQAAGGJFG-ZDUSSCGKSA-N 376.256 4.388 0 1 GIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 586948590 PEGLLYODAIUKFO-UHFFFAOYSA-N 383.395 4.399 0 1 GIAF Ic1ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2c1 587016338 KEHLHBBZELSHQL-LBPRGKRZSA-N 397.241 4.143 0 1 GIAF Clc1ncc(Br)c2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587036853 OJWJQNBJOKAXPG-SECBINFHSA-N 384.686 4.292 0 1 GIAF CC(C)OC(=O)C1(c2nc3cc(Br)c(F)cc3[nH]2)CC(F)(F)C1 587131544 MYOSLSUSBKWYOK-UHFFFAOYSA-N 391.187 4.083 0 1 GIAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(C)nc(C)c2[nH]1 587181050 MAYGZIZASRBSNB-VIFPVBQESA-N 395.248 4.014 0 1 GIAF CCCCOc1cc2nc([C@H](NC)c3cccnc3)[nH]c2cc1Br 587224902 SMXSSMCZWOSBHB-QGZVFWFLSA-N 389.297 4.208 0 1 GIAF Cc1ncc2c(n1)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344594 HEXIVVSSAPSCGA-GGAORHGYSA-N 390.414 4.220 0 1 GIAF CCOC(=O)C[C@]1(C2(C)CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350347 RTVNHVRJNJAOMT-OFNKIYASSA-N 398.430 4.382 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1CCc1ccccn1)CC2=O 587469831 GPUIPSMFPRTHHR-JOCHJYFZSA-N 376.456 4.490 0 1 GIAF CCn1nc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587578454 AFNCGASBFVNECS-DENIHFKCSA-N 378.428 4.102 0 1 GIAF CCOc1ccc(-c2nn(C(=O)[C@@H]3C[C@H]3C)c(=O)c3ccccc23)cc1OCC 587668818 FPEVLFIDCJRFJY-RDTXWAMCSA-N 392.455 4.157 0 1 GIAF CC(C)n1ncc2c1CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587755981 CEPOXFOUXJKPFL-CWTRNNRKSA-N 392.316 4.480 0 1 GIAF CC(C)=CCN1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587769315 ONZZTLFDKQDGJT-AWEZNQCLSA-N 381.333 4.380 0 1 GIAF Cc1nc2c(s1)[C@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587855891 HFGNEZXWPNGRFA-HUTHGQBESA-N 381.314 4.467 0 1 GIAF COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3c(cnn3C)CCN2C)cc1C 963953553 AZKNENINNUMOOF-XMMPIXPASA-N 386.499 4.463 0 1 GIAF CCCOC(=O)[C@@H]1C(C)=CC[C@@H]2[C@]1(C)CC[C@@H]1C(C)(C)[C@H](O)[C@H](O)C[C@]12C 2356504885 IXDOKLSVJJFDAR-NPYXNPDCSA-N 378.553 4.096 0 1 GIAF O=C(c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1)N1CCCC1 12754716 RSLZUHTUKAYIFO-UHFFFAOYSA-N 378.516 4.009 0 3 GIAF O[C@@H]1C[C@H](c2ccccc2)N(CC2CCCCC2)C[C@H]1n1cc(C2CC2)nn1 61923803 YLXNKTAEJNVBQL-DNVJHFABSA-N 380.536 4.085 0 3 GIAF CC(=O)Nc1cc(-c2cccc(C(=O)N(C)C)c2)cn2c(-c3ccccc3)cnc12 61925543 TZJSXJWHKQROSH-UHFFFAOYSA-N 398.466 4.329 0 3 GIAF COc1cccc(NC(=O)Nc2nc3ncccn3c2-c2ccc(F)c(F)c2)c1 203466320 XCWACPFOUTXDCJ-UHFFFAOYSA-N 395.369 4.327 0 3 GIAF COc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2C)cc1OC 3018181 CVBDXZDAFBCIQU-UHFFFAOYSA-N 386.451 4.437 0 1 GIAF CC(=O)Nc1ccccc1-c1nc(CNC(=O)c2ccc(Cl)cc2)c(C)o1 11978825 WGWZEMFSGFTOSK-UHFFFAOYSA-N 383.835 4.192 0 1 GIAF CC(=O)O[C@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)CC(=O)C=C3[C@]12C 13437051 RACYWTTYSJTPOV-VGUHCURASA-N 384.516 4.431 0 1 GIAF biogenic COC[P@](=O)(O)[C@H](CCCc1ccc(-c2ccccc2)cc1)P(=O)(O)O 13742102 NZPUAFQASWYNAS-SFHVURJKSA-N 398.332 4.054 0 1 GIAF CCCCNC(=O)OC1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 27200213 XTQOTOSYVRJRCD-UHFFFAOYSA-N 388.899 4.292 0 1 GIAF c1ccc(CCc2ccccc2N2CCN(Cc3nc4ccccc4[nH]3)CC2)nc1 27301370 MYXZSMHHGNXNGJ-UHFFFAOYSA-N 397.526 4.065 0 1 GIAF CC(C)(C)c1ccc(C2=C(c3ccccc3)NNC2=C2N=c3ccccc3=N2)cc1 70463058 MVIVUBDKPVPHPJ-UHFFFAOYSA-N 392.506 4.082 0 1 GIAF CCOC(=O)CCCOc1ccc(NC(=O)COc2ccccc2Cl)cc1 95561591 HQMUCIGLLMSQCW-UHFFFAOYSA-N 391.851 4.080 0 1 GIAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cc(F)cc(C(F)(F)F)c1)O3 96269838 XAQXWFCNNIEQMY-BMLIUANNSA-N 398.308 4.308 0 1 GIAF CCOc1cc(CCn2cnc3c4cc(F)ccc4nc-3c2O)ccc1OC 103533891 VMCYTYQXGRURGP-UHFFFAOYSA-N 381.407 4.031 0 1 GIAF COc1ccc(S(=O)(=O)N2CCc3cccc(-c4cccc(F)c4)c32)cc1 114321475 OTYHZYCLHCOKKK-UHFFFAOYSA-N 383.444 4.253 0 1 GIAF O=C1CCC(c2ccc([C@@H]3COC(=O)N3c3ccc4[nH]cnc4c3)cc2)CC1 116829002 UCCBYBIZZWTOKV-NRFANRHFSA-N 375.428 4.488 0 1 GIAF CC(=O)[C@H](CCCCCCC(=O)O)CCC[C@H](O)COc1ccc(F)cc1 169316933 YXEJLBHGDXMBNT-MJGOQNOKSA-N 382.472 4.366 0 1 GIAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(-c2ccn[nH]2)c1 224345713 IYAKAUJPXUMTIY-UHFFFAOYSA-N 382.729 4.276 0 1 GIAF CCOc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CC[C@H]2C[C@H]3CC[C@H]2C3)cc1 253867382 ZMGRVWMXWPRHFE-JFZIVLOISA-N 381.564 4.198 0 1 GIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(F)c(C)c2[nH]1 586984082 GWNZTESXPLAZRZ-INIZCTEOSA-N 390.256 4.193 0 1 GIAF Brc1cnc(NCc2ccccc2)c(-c2nc3cccnc3[nH]2)c1 586999640 DHWWHVLMXYTIDZ-UHFFFAOYSA-N 380.249 4.395 0 1 GIAF O=C1COc2cc3nc(-c4ccc(-c5ccccc5)c(Cl)n4)[nH]c3cc2N1 587084300 XFGDEYUDHIEXBP-UHFFFAOYSA-N 376.803 4.276 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(Br)ccc(O)c3n1)O2 587372344 PJIKUDLOGPTVAE-QGZVFWFLSA-N 399.244 4.300 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(I)cc1F)O2 587387277 PUJJYORTSZRZCL-HNNXBMFYSA-N 397.187 4.027 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccccc2)Oc2ccccc21 587412685 NXRKJDUZMTZNRF-URXFXBBRSA-N 385.419 4.141 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4cccc(Br)c4C[C@@H]1C)[C@@H](C2)C3=O 587419249 XLNYZWACVAVBLF-RJVYXSBYSA-N 385.257 4.293 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cccc4c1cnn4[C@H]1CCCCO1)[C@@H](C2)C3=O 587429968 CGDRIQMDJKWHNH-LERMDLETSA-N 390.439 4.233 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(NC4=NCCCS4)cc1)[C@@H](C2)C3=O 587454134 VBPWTLMFMBZZFV-HTAPYJJXSA-N 394.496 4.263 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](/C=C\N(C)C)(c1ccc(OC)cc1)CC2=O 587468841 KKMBCBZHJOGQRL-OILJVOJPSA-N 381.472 4.289 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)OC)(c1ccc(C)cc1)CC2=O 587482689 VBCZCNHFPKKLCB-HSZRJFAPSA-N 382.456 4.467 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1c(C)[nH]c3ccccc13)CC2=O 587485961 SHLFPXHQWWOSQG-HSZRJFAPSA-N 393.439 4.168 0 1 GIAF Cc1cc(C(=O)O)sc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614341 RYDAITCKVQDXCS-QAPCUYQASA-N 382.393 4.163 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccccn2)N1 587757790 VYKBBIKCGFBSET-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(COc2cccc(C=O)c2)N1 587797826 XNEGDZWWGZRZSU-CWTRNNRKSA-N 392.268 4.229 0 1 GIAF CCOC(=O)C[C@]1([C@H](C)CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797967 NDPLAAHPPZGOBG-FTLABTOESA-N 386.305 4.317 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(O)cc1O 587865184 WKAXQNRBMBXPCY-UHFFFAOYSA-N 392.333 4.067 0 1 GIAF FC(F)(F)c1nc(Cl)[nH]c2nc(COC34CC5CC(CC(C5)C3)C4)nc1-2 587950371 KRGAQLQWYSZWCL-UHFFFAOYSA-N 386.805 4.462 0 1 GIAF CC[C@]1(Cc2nc3cc(Br)cnc3[nH]2)CC(=O)c2ccccc2C1 587959109 CRCDJOFSIFQYMU-LJQANCHMSA-N 384.277 4.488 0 1 GIAF CCc1ncc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)s1 962953552 JJFIIFJBDWTHJB-KRWDZBQOSA-N 382.451 4.465 0 1 GIAF CCOC(=O)CC[C@@]1(c2cccc(C(F)(F)F)c2)NCCc2c(C)ccnc21 963072849 OPOFAJUXLNVHFS-FQEVSTJZSA-N 392.421 4.141 0 1 GIAF COc1ccc(OC)c(N2C(=O)N(c3ccc(SC)cc3)C(=N)C2=S)c1 1772597714 FZFZJSAIUZCQPW-UHFFFAOYSA-N 387.486 4.177 0 1 GIAF O=C(C(=O)N1CCC(Cc2ccccc2)CC1)c1cccc(Br)c1 95570744 NOVWAJJTXZJHGJ-UHFFFAOYSA-N 386.289 4.113 0 3 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)NC(C)(C)C)[C@H]3CC[C@H]12 26380998 RIGMJQYSJWLGJZ-ZJZKYWNMSA-N 386.580 4.157 0 1 GIAF FC(F)(F)c1cc(Nc2nccc(-c3ccncc3)n2)ccc1-n1ccnc1 26655828 AFKWNRCLQDGIPI-UHFFFAOYSA-N 382.349 4.487 0 1 GIAF CN1CCN(c2nc(-c3ccc(Cl)cc3)cc3c(N(C)C)cccc23)CC1 27522301 MCQUMVWUMGSPRV-UHFFFAOYSA-N 380.923 4.373 0 1 GIAF Clc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn12 53113467 SEYPHWUAVBLMMR-UHFFFAOYSA-N 376.891 4.463 0 1 GIAF Cc1cccc(C)c1NC(=O)c1cccc(N2C(=O)[C@H]3CC[C@@H](C)C[C@@H]3C2=O)c1 101704395 PGQVHESPZVLJSN-UAOJZALGSA-N 390.483 4.481 0 1 GIAF O=S(=O)(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccccc1 103259378 VXDORGZCQDBAHF-UHFFFAOYSA-N 385.832 4.344 0 1 GIAF COc1cc(F)ccc1Nc1ncc(F)c(Oc2cccc3c2C(=O)CC3)n1 146010287 FYQICJWCOLRJHV-UHFFFAOYSA-N 383.354 4.428 0 1 GIAF Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)[C@H](C)C3)cc2)c1[C@H](C)O 253686411 VIFJNFUXJIBEDW-AEFFLSMTSA-N 390.531 4.480 0 1 GIAF CCC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccc(/C=C/I)cc1)N2 253693710 ZSIIPJGEQMLBAQ-KQPJDWGJSA-N 395.284 4.296 0 1 GIAF Cc1ccc(NC(=O)CSCCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 586970095 GAFKSAMUKPHVCF-UHFFFAOYSA-N 394.422 4.200 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(Br)c(F)c1)O2 587385536 ORTCGLWLXYAGQP-GOSISDBHSA-N 378.241 4.445 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1ccc(F)cc1F)[C@@H](C2)C3=O 587427777 VGXFSWOGPBCQKI-JTSKRJEESA-N 379.362 4.060 0 1 GIAF COc1cc2c3c(c1)O[C@@](CC(C)C)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433645 SQYSXZWDHMHTHV-ODIUBACGSA-N 389.492 4.141 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CCC[C@H](C1)N4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587440547 BICGELMOMQJWDF-HECSKWOVSA-N 399.487 4.133 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)(F)C(=O)O)cc1)CC2=O 587464584 UBIMLHOVJYFMMC-KRWDZBQOSA-N 392.354 4.107 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](CC(C)(C)NC(=O)OC(C)(C)C)CC2=O 587467508 AMMUAUCLKKPOQF-CYBMUJFWSA-N 377.481 4.372 0 1 GIAF O=C1C[C@@H](c2ccc(N3CCOCC3)cc2F)Oc2c1ccc1c2CCCC1 587503976 LIVAHBJEIBJTKT-QFIPXVFZSA-N 381.447 4.248 0 1 GIAF CN1C(=O)CS/C1=C/[C@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587537214 BUEGIAYMPCAHBK-PZDOZLBDSA-N 395.480 4.066 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Br)n1 587549831 YLJATDBLIZVZAC-VQIMIIECSA-N 398.212 4.253 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12c1cccnc1-c1ncccc12 587587478 NYVMSLMGMRQFKZ-IBGZPJMESA-N 394.386 4.068 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3c(F)cccc32)N1 587738718 QIQWJVFCQFGCKW-MLCYQJTMSA-N 379.248 4.321 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc(N)cc32)N1 587746801 OAYGKZROJQTJEJ-WLRWDXFRSA-N 375.285 4.285 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(C)c3ccccc32)N1 587771133 VRMZBBBCCFYKQX-CWTRNNRKSA-N 375.285 4.206 0 1 GIAF Cc1[nH]c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)O 587793158 QLNKRKIOURDAEG-DCXZOGHSSA-N 395.272 4.029 0 1 GIAF CCOC(=O)C[C@]1([C@@H](C)CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587797975 NDPLAAHPPZGOBG-VNBZBWLYSA-N 386.305 4.317 0 1 GIAF CNC[C@@H](Cc1ccccc1)N1CCN(CC2CCC(C)CC2)[C@H](C(C)C)C1 653725395 SPEIUXTWCHHBFG-JNDMAISQSA-N 385.640 4.286 0 1 GIAF Cc1ccc([C@@]2(C3CCCC3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1C 963547239 ASYYEFNNCFGZLN-GBXCKJPGSA-N 379.500 4.350 0 1 GIAF CCN1CCc2c(sc(NC(=O)Nc3ccc4ccccc4c3)c2C(N)=O)C1 1772575468 WPDWACRKKRVVNL-UHFFFAOYSA-N 394.500 4.022 0 1 GIAF Cc1c(OCC(F)(F)F)ccc2[nH]cc(C(=O)OCC34CCN(CC3)CC4)c12 1772588332 FATRSDJWXOSXSG-UHFFFAOYSA-N 396.409 4.060 0 1 GIAF C[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(F)cc3)=NN2C1=O 1857629899 MNQXMQHQMUJCQY-QFYYESIMSA-N 389.224 4.047 0 1 GIAF Cc1cc(C(=O)N[C@@H](C)c2onc(-c3ccc(Cl)cc3)c2C(=O)O)c(C)o1 2356603272 DTMBWCFDSLQPNW-JTQLQIEISA-N 388.807 4.394 0 1 GIAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@]3(CCC[C@@H]3CNC3CCCCC3)[C@H]1[C@@H](O)C2 2356672741 WFTSAWYFMSRLIM-POXXNPSOSA-N 375.597 4.407 0 1 GIAF COc1cc2c(c(O)c1OC)C[C@@H]1CCC(=O)N1[C@@H]2c1cccc2ccccc12 1654663 VJAJEAOAEAKPMX-OYHNWAKOSA-N 389.451 4.199 0 1 GIAF Cc1cc(NC(=O)C(=O)c2cn(Cc3ccc(Cl)cc3)c3ccccc23)on1 29126110 AYEHOGHSMUDJPU-UHFFFAOYSA-N 393.830 4.461 0 1 GIAF NC(=O)c1cccc(-c2cnc([C@@H](O)CCc3ccc(-c4ccccc4)cc3)o2)n1 29135764 FPTLNKNHISNULV-NRFANRHFSA-N 399.450 4.169 0 1 GIAF CCNCc1cncc(-c2cnc3c(c2)[C@H](c2nc4cc(F)ccc4[nH]2)N=N3)c1 49567218 KRKHEOQTCZTRNA-LJQANCHMSA-N 387.422 4.455 0 1 GIAF CCO[C@@H](Cc1ccc(OCc2nc(-c3ccsc3)oc2C)cc1)C(=O)O 72105406 NQPYHPFPNFPOHN-SFHVURJKSA-N 387.457 4.323 0 1 GIAF CC(C)CN(C)c1ncc(C(=O)NCc2ccccc2)c(-c2ccc(F)cc2)n1 82140630 PTEXGRRWUUIUQM-UHFFFAOYSA-N 392.478 4.305 0 1 GIAF Cc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)c2cccnc12 84707656 AKHVMIQILCNDLV-UHFFFAOYSA-N 389.480 4.258 0 1 GIAF O=C(C1=C[C@H](C2CC2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCCCCC1 95798311 IKBVGOKCUPCPLC-JTHBVZDNSA-N 399.531 4.145 0 1 GIAF Oc1cc(O)c(-c2cc(-c3cccnc3)[nH]n2)cc1-c1cc(-c2cccnc2)[nH]n1 96930209 LPCCWBPGKXFIMO-UHFFFAOYSA-N 396.410 4.002 0 1 GIAF COC(=O)[C@@H]1[C@@H](O[C@@H](c2ccccc2)c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 100761169 NYWOLUGCSRCGJB-AANPDWTMSA-N 399.918 4.470 0 1 GIAF CCCCCCS(=O)(=O)N[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2CC[C@@H]1C2 100804485 ZSNZEHPRCOSOCW-DXIPFLOOSA-N 385.570 4.102 0 1 GIAF COC(=O)c1cc(Br)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144861578 DKEVWCXRSMFEOF-OAHLLOKOSA-N 387.151 4.014 0 1 GIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3ccccc3C(C)=O)cc2)C[C@H]2CC[C@H]1N2C 253633280 IKFLALJPMIMFEC-YJSIEXFISA-N 377.484 4.296 0 1 GIAF COc1ccc2c(C)c(CCc3nc4ccc(C(C)=O)cc4[nH]3)c(=O)oc2c1C 586919262 YIYFDYAZXDYHAF-UHFFFAOYSA-N 390.439 4.283 0 1 GIAF Clc1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2n1 587016582 CHZHZTRAFBJLPM-UHFFFAOYSA-N 378.848 4.449 0 1 GIAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587112211 DMGFXPQKGYIDCQ-NSHDSACASA-N 382.407 4.331 0 1 GIAF N[C@@H](Cc1nc2ccc3ncccc3c2[nH]1)c1ccc(Br)cc1F 587144013 HCKBYNLWGYDBDX-AWEZNQCLSA-N 385.240 4.255 0 1 GIAF COc1cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)nn1-c1ccccc1F 587157270 ZKDZDPAHJYFRBQ-UHFFFAOYSA-N 378.741 4.495 0 1 GIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 587164672 YVXKYKGYQCHRLB-ZDUSSCGKSA-N 383.652 4.164 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)OCC)Oc3ccccc31)CC2=O 587481264 APCKZVBVSDWXSM-QHCPKHFHSA-N 394.423 4.045 0 1 GIAF O=C(O)c1ccc(OC[C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520534 DYKXAXFMZXFLEK-DEOSSOPVSA-N 392.451 4.457 0 1 GIAF COc1cc(F)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569531 QTKNHTYFFWDUKS-UGKGYDQZSA-N 380.371 4.417 0 1 GIAF CC[C@]1(c2c(C)nn(C)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583358 VNUWVRWIPNFYLT-SIKLNZKXSA-N 378.428 4.010 0 1 GIAF CC/C=C/CCOC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594786 JBCLHIPVOBWFIV-QEPNEINZSA-N 382.412 4.012 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccncc3)CC2)N1 587765439 CEWKXBHCQCYONU-ZDUSSCGKSA-N 390.300 4.013 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2OCCCO3)N1 587835236 OLUJXVDOEVOMRX-VOJFVSQTSA-N 392.268 4.373 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc3c(s2)CCC3)N1 587857971 NQMGIDREAJENCU-XLFHBGCDSA-N 381.314 4.331 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(-n2cnnc2)cc1 587863391 ZBLFLSUKSCPTEX-UHFFFAOYSA-N 385.349 4.147 0 1 GIAF Cc1nc(N)ccc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O 653685694 CGIKZEQNOIDVOV-ZDUSSCGKSA-N 389.455 4.032 0 1 GIAF COc1ccc2c(c1OC)[C@@](CC(=O)C(F)(F)F)(C(C)(C)C)N(C)[C@@H](C)C2 962640668 RPHAFPDQEJNKCY-BUXKBTBVSA-N 387.442 4.343 0 1 GIAF Cc1cc(C)cc([C@@]2(c3ccnc(C)c3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963015968 BOEHVHGWJHYJIF-NIYFSFCBSA-N 397.522 4.352 0 1 GIAF COc1cccc2cc3c(nc12)[C@](C)(c1c(C)[nH]c(C(=O)O)c1C(C)C)NCC3 963053116 GMUSUGBYHRZJGG-QHCPKHFHSA-N 393.487 4.111 0 1 GIAF Fc1cccc2c1[C@H](c1cnc3cc(Br)ccn13)N1CCC[C@@H]1C2 963103709 LKCMWBDWWYRCHU-KUHUBIRLSA-N 386.268 4.346 0 1 GIAF CN1CCc2c(Br)cccc2[C@H]1c1cn(C)c(-c2ccccc2)n1 963281380 RPPVRRYWVWWVMB-IBGZPJMESA-N 382.305 4.427 0 1 GIAF Cc1ccc(CN2CCC[C@H](N3CCC(c4ccc(O)cc4)CC3)C2=O)cc1F 1772621662 JWURERWEWQWZEP-QHCPKHFHSA-N 396.506 4.210 0 1 GIAF COc1ccc(-c2c3c(nc4nc(N5CCOCC5)sc24)CCCC3)cc1 1857568154 JASDCGITDLALRW-UHFFFAOYSA-N 381.501 4.082 0 1 GIAF O=C(CCCCN[C@@]1(c2ccccc2Cl)CCCCC1=O)N1CCCCC1 1857601406 PVAPOLCDZSMXAA-JOCHJYFZSA-N 390.955 4.451 0 1 GIAF CCC(CC)c1nc2c(N3CCNCC3)ccnc2n1Cc1ccccc1Cl 1857746453 JOKUXKLMFRDAOD-UHFFFAOYSA-N 397.954 4.446 0 1 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@H](OC(=O)C(C)C)CC[C@H](C)[C@]12C 2356457656 XHTHGRNWGBDAAM-GQYYFDSYSA-N 376.449 4.009 0 1 GIAF COc1cc2cc3c(c(O)c2c(O)c1/C=C/C(C)C)C(=O)C[C@](C)(OC(C)=O)C3 5358517 KICSREDCVHEFSG-BMOUEYTDSA-N 398.455 4.380 0 1 GIAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)CCCCCc1ccccc1 13589581 WJLXPMOYOTUARF-HXUWFJFHSA-N 397.471 4.128 0 1 GIAF CC[C@H](C)[C@H](Nc1nc(-c2ccccc2C)cs1)C(=O)NCCCOC 82195259 FMRWIJDIOYKFMP-KSSFIOAISA-N 375.538 4.098 0 1 GIAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(c3nc(CC)cs3)[C@H]2CNC(C)C)cc1 95895997 JGSPVHKLUFJULS-ZFCOSYPZSA-N 385.577 4.070 0 1 GIAF CC1=C2C=CNC(=O)[C@H]2C(C)=C2C1=Nc1ccc(OC(=O)c3ccccc3)cc12 95921056 WTDCOWKJENHJKG-NRFANRHFSA-N 382.419 4.355 0 1 GIAF in-vitro Cc1cnc(NC(=O)[C@@H]2C(=O)N3c4ccccc4Sc4cccc2c43)s1 100658528 DBZXEDKTOPAKFJ-OAHLLOKOSA-N 379.466 4.317 0 1 GIAF Fc1cnc(-c2ccccc2C(F)F)nc1NCc1ccc(-n2ccnn2)cc1 169341698 CTXYZISUYVNDGT-UHFFFAOYSA-N 396.376 4.413 0 1 GIAF C[C@@H](CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)Oc1ccc(Cl)cc1 205637389 CILIRIYREOCHIN-INIZCTEOSA-N 397.906 4.047 0 1 GIAF Oc1cccc2c1OCC(c1nc3c(F)c(F)c(Br)cc3[nH]1)=C2 586907986 LJHIERWNKFBUQF-UHFFFAOYSA-N 379.160 4.242 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 586915306 CIISIUVQZFVUAJ-SCLBCKFNSA-N 375.350 4.193 0 1 GIAF Cc1ccc(SCc2nc3cc(I)cnc3[nH]2)c(C)c1 586963348 ITOSKCAKZOKPDH-UHFFFAOYSA-N 395.269 4.472 0 1 GIAF Cc1cccnc1NC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103776 JGRIKIURTARKNY-UHFFFAOYSA-N 379.419 4.331 0 1 GIAF Fc1cc2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2cc1-n1cccn1 587120674 SGYNUYMSXQXNFT-UHFFFAOYSA-N 386.312 4.450 0 1 GIAF Cc1ccc2c(ccc3nc([C@H]4CN(C(=O)OC(C)(C)C)CC4(F)F)[nH]c32)n1 587132170 LSNFMVAXHCEPNH-CYBMUJFWSA-N 388.418 4.389 0 1 GIAF N[C@@H](Cc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(Br)cc1F 587143057 UQFXTZOTOQRNAQ-JTQLQIEISA-N 388.162 4.124 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(CO)cc4[nH]3)cc2F)c1 587143570 JHZZTGRWJLZTFO-UHFFFAOYSA-N 392.386 4.235 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cncc(OC)c4[nH]3)cc2F)c1 587143862 MGABXFQDGFJUKG-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF CCOC(=O)C(C)(C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348236 NCZAWPVPSNLPBQ-AVRDEDQJSA-N 386.419 4.238 0 1 GIAF COc1cc2c3c(c1)O[C@](c1cccnc1)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O 587425495 DJAWBYPESVLETI-AOMKIAJQSA-N 379.362 4.060 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccc4OC)s1)[C@@H](C2)C3=O 587450767 KMRZQNRPTBZEDG-VBKZILBWSA-N 379.437 4.316 0 1 GIAF CC(C)CN1C(=O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587518995 SLFNFRLTITULOP-XMMPIXPASA-N 375.468 4.429 0 1 GIAF O=C(O)CC[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603639 OOCOWWXFZKQKIM-BANJIEJESA-N 382.412 4.148 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccn2)(C(F)(F)F)N1 587708760 DHVMQHLXBWAKAG-RFAUZJTJSA-N 389.190 4.323 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(C2(C)CC2)N1 587715661 CGPNVKMQYRRHIG-XLFHBGCDSA-N 390.243 4.342 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccncc2)N1 587757041 UFNCTFMHJCCWHO-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C(=O)OC(C)(C)C)C2)N1 587795629 RSOHHRJINVJKNM-VJIIGADZSA-N 384.289 4.069 0 1 GIAF COC(=O)c1cc2nc(C3(c4ccc(OC)cc4)CC4(CCC4)C3)[nH]c2cn1 587934963 JJKYRGVYXPENKL-UHFFFAOYSA-N 377.444 4.003 0 1 GIAF Cc1n[nH]c2nccc(-c3ccc(NC(=O)NC4Cc5ccccc5C4)cc3)c12 1772615987 KFDIBWHWNIGQSX-UHFFFAOYSA-N 383.455 4.222 0 1 GIAF Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)nc1 1857631502 BQXTYXXMADNXBB-UHFFFAOYSA-N 389.411 4.346 0 1 GIAF O=C(c1ccc2ccccc2c1)[C@@H]1CCCN(C(=O)c2noc3c2CCCC3)C1 11950661 GURFHIRJMGSZRF-LJQANCHMSA-N 388.467 4.442 0 3 GIAF CC[C@H](O)c1cc(=O)oc2c(C(=O)[C@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 14586063 LVYGPLHUPURZDF-DOMZBBRYSA-N 388.460 4.385 0 1 GIAF biogenic Cc1ncsc1C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1ccccc1 40423030 OUSQUGVMFWNDNT-UHFFFAOYSA-N 393.443 4.279 0 1 GIAF COc1ccccc1COc1c(-c2ccccc2)oc2cc(O)cc(O)c2c1=O 64526936 ARRYWTYRGPYBNK-UHFFFAOYSA-N 390.391 4.459 0 1 GIAF c1ccc(-c2csc3ncnc(N4CCC(CO[C@H]5CCOC5)CC4)c23)cc1 146359395 KVJCTOTZDHIHMR-SFHVURJKSA-N 395.528 4.380 0 1 GIAF N[C@H](CNc1nc(-c2ccncc2Cl)nc2ccsc12)Cc1ccccc1 223667537 MYMDPLPEHRMOHK-AWEZNQCLSA-N 395.919 4.389 0 1 GIAF CCOC(=O)C1=CN(Cc2ccccc2)[C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C1 254131862 IDPPECWXGYLOCA-CTNGQTDRSA-N 396.874 4.370 0 1 GIAF N[C@H](N=O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586976037 BLEJCTYGYDXSEO-OAHLLOKOSA-N 395.644 4.282 0 1 GIAF Cc1nc(C2CC2)sc1-c1nc2ccc(I)cc2[nH]1 587011503 HZSQQCCJUFAEKP-UHFFFAOYSA-N 381.242 4.477 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(F)c(F)c3[nH]2)cc1 587044243 YCVAOKBJVSMACI-OAHLLOKOSA-N 389.427 4.128 0 1 GIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2c(N)ccnc2[nH]1)c1cccc(Cl)c1 587072123 UKMHUABUPKCADY-CQSZACIVSA-N 387.871 4.002 0 1 GIAF COc1ccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C(F)(F)F)c1 587097827 OAGGEJZUVIXHPJ-UHFFFAOYSA-N 391.393 4.090 0 1 GIAF CC(C)[C@@H](c1nc2ccc([C@@H](N)N=O)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198024 RVMGBBBGODPTHW-OALUTQOASA-N 395.463 4.252 0 1 GIAF COc1cc(-c2nc3cccc(C(C)(C)C)c3[nH]2)ccc1OCC(=O)NC(C)C 587219029 BAIFWOYXGJPNKD-UHFFFAOYSA-N 395.503 4.439 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587242756 QVOZHZRKUCEVAX-UHFFFAOYSA-N 393.468 4.473 0 1 GIAF O=C1C[C@H](c2cc3cc4c(cc3nc2O)OCO4)Oc2c1ccc1c2CCCC1 587527284 RWKQYSIAEJVVTA-LJQANCHMSA-N 389.407 4.254 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2c1cncnc1 587586611 KVAQFQFYPDTZDF-NYDSKATKSA-N 388.423 4.240 0 1 GIAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(F)c1F 587716943 KCZVOVRJUKJNHW-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3cc[nH]n3)o2)N1 587798698 VLSPSFYWWBFXCB-HUTHGQBESA-N 376.229 4.195 0 1 GIAF COC(=O)C1(C)CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587803406 AISHDDWVPWPZJG-IPPDQLOFSA-N 384.289 4.071 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3SCCS[C@H]32)N1 587855913 KPIVITAWXKAFBO-NRXFTUCASA-N 388.371 4.329 0 1 GIAF Cc1ccc(COc2cccc([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)c2)cc1 962909476 MUQIOUQHESMGAY-JTHBVZDNSA-N 391.442 4.401 0 1 GIAF COc1ccc2c(c1)C=C([C@@H]1c3cccc(Br)c3CCN1C)CO2 963281681 UUEHBPYEUGTDIF-HXUWFJFHSA-N 386.289 4.463 0 1 GIAF Nc1ncccc1-c1cc(Cc2ccc(CNc3cccc(F)n3)cc2)no1 1857605963 BQRZYOZLPNVUIW-UHFFFAOYSA-N 375.407 4.056 0 1 GIAF Cc1nc2ccccc2c2oc(C(=O)N3CCN(C4CCCCC4)CC3)cc12 4902288 ZMCUTRTVWFZRGH-UHFFFAOYSA-N 377.488 4.380 0 3 GIAF OC[C@]1(Cc2cccc(Cl)c2)CCCN(Cc2cnn(-c3ccccc3)c2)C1 11707393 HJLUCSJJDBIYDX-QHCPKHFHSA-N 395.934 4.343 0 3 GIAF CCOc1cc2nc(=S)n(CCN3CCCC[C@H]3C)c(O)c2cc1OCC 253530870 KHSHAAPXVXDUPN-CQSZACIVSA-N 391.537 4.143 0 3 GIAF C[C@]12CC[C@@H](O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O 13545527 OVUOVMIMOCJILI-FEPFIWAXSA-N 384.516 4.162 0 1 GIAF O=C(O)Cc1nn(Cc2nc3cc(F)ccc3s2)c2ccc(Cl)cc12 13650635 KBZBWIAKRNYGGT-UHFFFAOYSA-N 375.812 4.114 0 1 GIAF COc1cc(O)ccc1-c1cc(=O)c2c(O)cc(OC)c(CC=C(C)C)c2o1 14762750 AGQBGLZQKDLJAR-UHFFFAOYSA-N 382.412 4.397 0 1 GIAF endogenous,in-man COc1cc(N)c(Cl)cc1NC(=O)C1CCN(Cc2ccccc2C)CC1 29466532 NXYPBCITXFHOIQ-UHFFFAOYSA-N 387.911 4.090 0 1 GIAF COc1cc([C@@H]2Nc3ccc(C(=N)N)cc3[C@H]3c4ccccc4C[C@@H]23)ccc1O 38465507 SBOBWTGREHDFLR-YSZBQJHXSA-N 385.467 4.156 0 1 GIAF Cc1ccccc1CN(C[C@H]1CCCN1)C(=O)[C@H](C)Oc1cccc(Cl)c1 40933617 BQEIZLKZBLOQNR-FXAWDEMLSA-N 386.923 4.197 0 1 GIAF O=C(NCC1CCN(Cc2cccnc2)CC1)c1cc(Cl)cc(Cl)c1 40955886 QKADADIWQKAXHT-UHFFFAOYSA-N 378.303 4.030 0 1 GIAF FC(F)(F)Oc1ccc(-c2cnc3ccc(NCc4ccncc4)nn23)cc1 45302929 MNLLEXJYACUWBR-UHFFFAOYSA-N 385.349 4.302 0 1 GIAF O=C1S/C(=C\c2ccc(OCCC3CCCCC3)cc2)C(=O)N1CCO 45355503 GVCJNWJYHSNJKC-JXAWBTAJSA-N 375.490 4.064 0 1 GIAF CC1(C)OC[C@@H]([C@]2(C)C=C3[C@@H](O)C[C@@H]4C(C)(C)[C@H](O)CC[C@@]4(C)[C@@H]3CC2)O1 49115259 VRLDAMQNTHAYBJ-JMFNMADFSA-N 378.553 4.049 0 1 GIAF C[C@@H]1CCCN1CCCOc1ccc(-c2cn(C)c(=O)c3ccccc23)cc1 73195979 RNTBAXMUZAIGMW-GOSISDBHSA-N 376.500 4.459 0 1 GIAF CC(C)c1nc2c(NCc3cccs3)ncnc2n1CC[C@@H]1CCCN1C 82178808 XNLYASWRRQAYMT-HNNXBMFYSA-N 384.553 4.108 0 1 GIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3cccc(O)c3)C[C@@H]1O2 95555979 SKNYVUKHSJMIAE-LFRPXUGBSA-N 381.472 4.024 0 1 GIAF CC(C)(CN)COc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12 96175031 DPNYLXBQKCMOTA-UHFFFAOYSA-N 387.487 4.186 0 1 GIAF COc1ccc(C(=O)C[C@@]2(OC)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1 205724145 NGQNFMZEQKSQAT-SFHVURJKSA-N 380.227 4.069 0 1 GIAF O=C(Nc1cccc(C(F)(F)F)c1)c1c(NO)cc(-c2ccccc2)oc1=O 223245156 CFBZPOQMZNPBIX-UHFFFAOYSA-N 390.317 4.379 0 1 GIAF CCc1[nH]nc(NC[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)c1C 261128475 KQQMWFWXNSJHJA-KOMQPUFPSA-N 389.931 4.038 0 1 GIAF CCOc1cccc([C@]2(N3CCN(c4ccccn4)CC3)[C@H]3C[C@H](C)C[C@H]32)c1 299849083 UYOMNRLIQVSKMQ-WUWFAUFYSA-N 377.532 4.174 0 1 GIAF Cc1ccc(C)c2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc12 586970312 WSQGGGIGZSIPRI-UHFFFAOYSA-N 380.429 4.251 0 1 GIAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)n1 587116951 COTOOOLOHYGGTD-UHFFFAOYSA-N 376.169 4.406 0 1 GIAF C[C@@]1(c2nc3cc(F)cc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 587154021 BNMVTXLRKFYXDL-KRWDZBQOSA-N 392.203 4.395 0 1 GIAF CC(C)[C@@H](c1nc2cc3cn[nH]c3cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198197 BCXJOWBHSRRCJX-IBGZPJMESA-N 377.448 4.405 0 1 GIAF COC(=O)Nc1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 587243917 UCGMOQJWTDODCZ-UHFFFAOYSA-N 381.617 4.219 0 1 GIAF COc1cccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587335879 ILAFPCCOHOSELH-GMAHTHKFSA-N 393.414 4.295 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(F)(F)F)nn(C)c1Cl)CC2=O 587464752 XIIOQJVLUKEQMV-GFCCVEGCSA-N 388.773 4.457 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1nccn1-c1ccc(OC)cc1)CC2=O 587470215 JKNBOIINQCDCPN-FQEVSTJZSA-N 378.428 4.246 0 1 GIAF CN(C)/C=C/c1nc(O)ccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511248 JPIBAYIZLJYUJA-MDRMPYQZSA-N 378.472 4.079 0 1 GIAF Cn1ccc(-c2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)n1 587583700 WQVPPALMLRCQRA-XUZZJYLKSA-N 398.418 4.496 0 1 GIAF CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600975 CGQVVUMPWVNYDS-OIDISNMWSA-N 378.424 4.118 0 1 GIAF COC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2c(C)cc(Cl)cc12 587624749 QNLPAKOYYWWCGL-UHFFFAOYSA-N 386.835 4.343 0 1 GIAF O=C(c1ccnc(Cl)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655534 LSPNSCXLKSSZGD-UHFFFAOYSA-N 397.768 4.079 0 1 GIAF COc1ccc(Cl)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587693798 FOAMEFSYMXPEQA-BCTVWOGZSA-N 385.664 4.269 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(N)cc(F)cc2F)N1 587721656 PXSKTPHYMTUWDX-QPFGOUBPSA-N 385.227 4.246 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(c3ccc(F)cc3)C2)N1 587733012 NJCFKHVQWPVUKJ-HXPMCKFVSA-N 393.275 4.367 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cccc(N)c32)N1 587748212 VPOJENWOJOLTTF-WYRIXSBYSA-N 375.285 4.285 0 1 GIAF CCSc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C 587842368 FGMHBMKPRJCEOM-BJOHPYRUSA-N 384.318 4.057 0 1 GIAF CCOCc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587852568 HIIIUBNDIYNUHW-JDNHERCYSA-N 385.302 4.205 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)O)[C@@]4(C)CC(=O)[C@@H]32)C1 36386570 KWOUHQLFAVONNL-ATUIXWAXSA-N 376.537 4.137 0 3 GIAF biogenic CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H](CO)[C@H](C)CC 775631 ODPAKYAXSFDBRT-ZBFHGGJFSA-N 388.508 4.175 0 1 GIAF CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCC2)[C@@H]1c1c[nH]c2ccccc12 2469386 CPUXQGIRJMCVBT-YADHBBJMSA-N 387.483 4.137 0 1 GIAF O=C(Nc1ccccc1)N1CCC2(CC1)CCN(C(=O)c1cccc(F)c1)CC2 3956126 WNUSRMPVFPXSRG-UHFFFAOYSA-N 395.478 4.376 0 1 GIAF COc1ccc([C@@H]2C(=O)c3c(OC)cc(OC)cc3O[C@H]2c2cccnc2)cc1 13220592 KSVXEEMRTGJPEI-OFNKIYASSA-N 391.423 4.208 0 1 GIAF O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2ccccn2)CC1 13797238 UDPRXZLPQLNNTB-UHFFFAOYSA-N 396.293 4.123 0 1 GIAF CC(C)c1ccc2c(c1)[C@H](N1CCN(CCO)CC1)C[C@H]2c1ccc(F)cc1 22937890 LUZRJLPCCNZOME-LADGPHEKSA-N 382.523 4.136 0 1 GIAF CC1=C(C(=O)N2CCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 40875371 KBBPFRQLSDBMAH-QGZVFWFLSA-N 377.275 4.101 0 1 GIAF O=C(O)c1cc2c([nH]c3ccccc32)c(C(=O)c2ccccc2Br)n1 66097423 COYCCHSGIJUXNM-UHFFFAOYSA-N 395.212 4.408 0 1 GIAF O=S(=O)(N[C@H]1[C@@H]2CC[C@@H]1Cc1c(F)cccc1C2)c1ccc(Cl)s1 101009411 YTBSSZLYKCFJCT-QFSBIZTOSA-N 385.913 4.013 0 1 GIAF CO[P@](=O)(O)[C@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccco1 103295117 GFARVAJXNYGYAP-AWEZNQCLSA-N 395.131 4.039 0 1 GIAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2cc3c(n2)CCCC3)CC1 118639932 LTMGOEAKUDIGQE-RHNCMZPLSA-N 386.927 4.108 0 1 GIAF Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4ccccc4)C[C@@H]32)n1 145638321 MZDGWJKFCYEWNJ-REWPJTCUSA-N 398.510 4.111 0 1 GIAF CCCCC[C@H](O)CCCCCS(=O)(=O)CCCCCCCC(=O)O 169315831 PQWTXJZNEZRECT-SFHVURJKSA-N 378.575 4.328 0 1 GIAF COC(=O)C[C@@H]1[C@@H](Cc2ccccc2)C[C@@H]2[C@@H](Cc3ccccc3)C[C@@H]1N2C 195314212 XXQUTIIQIQULCG-FCUGFLGKSA-N 377.528 4.360 0 1 GIAF Cc1nc2ccncc2n2c(-c3cc(OC(F)(F)F)ccc3Cl)nnc12 299863698 LKBVNJHZZJQSPX-UHFFFAOYSA-N 379.729 4.200 0 1 GIAF O=C(O)c1ccccc1/C=C\c1nc2ccc(I)cc2[nH]1 586878469 DXLPEXDIJAVTHE-YVMONPNESA-N 390.180 4.036 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(SC)ccc3[nH]2)cc1 586939903 TZLYGIDSJQEKDV-LBPRGKRZSA-N 375.519 4.029 0 1 GIAF COC(=O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586977692 QAEQGQANEOLXAT-UHFFFAOYSA-N 395.640 4.344 0 1 GIAF Cc1cc(Br)ccc1OCc1nc2cc(F)cc(C(=O)O)c2[nH]1 586981299 OLGAXJSNDCZCQS-UHFFFAOYSA-N 379.185 4.050 0 1 GIAF Nc1ccc(-c2ccc3nc(C[C@H]4OCCc5ccsc54)[nH]c3c2)cc1N 587035858 UWXNBXAHPRFCME-LJQANCHMSA-N 376.485 4.312 0 1 GIAF Cc1cc(Br)c2[nH]c([C@H](N)Cc3ccc(O)c(Cl)c3)nc2c1 587052674 HNRNKHUPKKOSHY-GFCCVEGCSA-N 380.673 4.235 0 1 GIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(Br)c2[nH]1 587065519 SKPWYOHUHIQAJD-UHFFFAOYSA-N 395.640 4.379 0 1 GIAF Cc1cc(Br)c(-c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1F 587137653 DSVVJBKYAYSWST-UHFFFAOYSA-N 392.272 4.380 0 1 GIAF COc1cc(F)ccc1-c1cccc(Cc2nc3c(S)nc(S)nc3[nH]2)c1 587158231 AVLAPVXALRSDBU-UHFFFAOYSA-N 398.488 4.336 0 1 GIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587194962 DPXSSLVDVKQDNE-LLVKDONJSA-N 397.422 4.074 0 1 GIAF CN(C)C(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587226820 UKNALYQFCXAOSC-QGZVFWFLSA-N 386.496 4.021 0 1 GIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cncc(Cl)c2[nH]1 587259239 ZKHKKVIGTDEUCU-INIZCTEOSA-N 379.851 4.183 0 1 GIAF O=C1c2ccc(O)cc2OC2([C@@H]1c1ccc(F)cc1)[C@H]1[C@H]3C[C@@H]4[C@@H]1[C@@H]1C[C@H]4[C@H]3[C@H]12 587355204 TXTSJUMWGJETMA-PKSDZUTESA-N 388.438 4.407 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cn(CC(=O)O)c3ccccc13)(C(C)C)O2 587389792 JWIYYHBPUKFASU-HSZRJFAPSA-N 392.455 4.133 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C=C(c4ccccc4)Oc4cc(N)ccc41)[C@@H](C2)C3=O 587432493 MNYFZDBACHAFAQ-DFBJGRDBSA-N 397.430 4.354 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ccc1OCC(=O)O)CC2=O 587463422 WVROYHXMKOCICT-GOSISDBHSA-N 390.819 4.168 0 1 GIAF COC(=O)[C@H](C)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520875 GMFHPLUUULXIBQ-QKKBWIMNSA-N 380.440 4.212 0 1 GIAF Cc1nc2sccn2c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620431 ZHPKIYKZNSDFCP-IERDGZPVSA-N 392.436 4.287 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3[nH]cnc(Cl)c2-3)N1 587708728 ZVKOESJNGADNAC-JKYUHCHBSA-N 395.663 4.088 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(F)c(O)cc32)N1 587727452 CMLDZFBKOOATLI-DYBLOJMWSA-N 380.232 4.157 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)O)s2)N1 587844482 ATHRKOMPTFNVGM-BCTVWOGZSA-N 384.270 4.146 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(Cl)cc3N)n2)cc1 587924447 YWFNESYOMMLHOM-UHFFFAOYSA-N 379.894 4.084 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@@]12CCC[C@H](c1ccnn1C)C2 962369379 DAWFDIMZYSVONJ-JTSKRJEESA-N 380.561 4.432 0 1 GIAF COc1ccc2c(c1OC)[C@@](C)(c1cc(F)ccc1-n1ccnc1)N(C)[C@H](C)C2 962640073 YVDBGVVRMHDAHS-IQMFZBJNSA-N 395.478 4.169 0 1 GIAF NC(=O)N1CCc2sccc2[C@]12CC(=O)C[C@@H](c1c(F)cccc1Cl)C2 962717596 ULRFGNPTGWPTOR-WYRIXSBYSA-N 392.883 4.210 0 1 GIAF Cc1cc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc2cccnc12 962976348 ZOYDADLIFYSAPO-BEFAXECRSA-N 388.801 4.163 0 1 GIAF C[C@@H]([C@@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356628346 PGZROPJTNZDXFV-GPKHSFRNSA-N 390.656 4.496 0 1 GIAF O=C(Nc1ccc2c(c1)OCO2)[C@H]1Cc2c(-c3ccc(Cl)cc3)ccnc2O1 61895945 ZENAFOZLMRWQKV-LJQANCHMSA-N 394.814 4.073 0 3 GIAF O=c1n(Cc2ccc(Cl)cc2)c2ccccc2c2nc(-c3ccccc3)nn12 5035635 QPNGAJBNEIFCFQ-UHFFFAOYSA-N 386.842 4.413 0 1 GIAF NCCCSC[C@@H](COc1cccc(-c2ccccc2)c1)SCCCN 27705384 MMLKDTPVRROHQD-OAQYLSRUSA-N 390.618 4.265 0 1 GIAF CS(=O)(=O)c1ccc(-c2nc(Nc3ccccc3)cc(C(F)(F)F)n2)cc1 29131675 XZHWXSVJZQYTJL-UHFFFAOYSA-N 393.390 4.310 0 1 GIAF CN1OC(C)(C)C2=C(C1=O)[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 40943423 KMVGECXUEKENPZ-QGZVFWFLSA-N 398.846 4.062 0 1 GIAF COc1ccc(-c2nccc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c23)cc1 82078662 FDRCWMWOIZWBMU-UHFFFAOYSA-N 391.427 4.326 0 1 GIAF CC(C)CN(C=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 82194584 NXXBOHRMYWWVFA-HXMXLECZSA-N 388.596 4.333 0 1 GIAF COc1ccc(N2C=C(c3ccccc3)[C@H]3C(n4nc(C)cc4C)=NC=N[C@H]32)cc1 98085507 OMJYBGMVTDULRR-PKTZIBPZSA-N 397.482 4.301 0 1 GIAF COc1ccc(-c2nn3c(COc4cccc(C)c4)nc(=S)nc3o2)cc1 103179586 LNKXWWIGENSOGU-UHFFFAOYSA-N 380.429 4.010 0 1 GIAF C[C@@H]1c2cc(OCc3nnn[nH]3)c(Cl)c(Cl)c2C(=O)[C@H]1C1CCCC1 169345804 WNANQMQYBCXCMU-AMIZOPFISA-N 381.263 4.192 0 1 GIAF O=N[C@H]1CCc2cc(-c3cn(C[C@@H]4CCCNC4)nc3-c3ccncc3)ccc21 169686137 YLWQVOLMOFXGGH-ZHRRBRCNSA-N 387.487 4.365 0 1 GIAF c1ccc(-c2cnc3cncc(Nc4ccc(N5CCOCC5)cc4)c3n2)cc1 200649729 UMKXZBLGOSKWKR-UHFFFAOYSA-N 383.455 4.272 0 1 GIAF Cc1c(Br)ccc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c12 586924820 ATDFUGCEUUTGGH-MDZDMXLPSA-N 377.263 4.078 0 1 GIAF FC(F)(F)c1ncc2nc(-c3c(-n4cccc4)sc4c3CCC4)nc-2[nH]1 587032715 NNSGPAXYWJOCKS-UHFFFAOYSA-N 375.379 4.331 0 1 GIAF Fc1cccc([C@@H]2C[C@@H]2c2nc3cc(I)cnc3[nH]2)c1F 587150682 DPAZHRXVVPLMFO-UWVGGRQHSA-N 397.166 4.112 0 1 GIAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587224943 LJBDYLGERFNVKE-JTQLQIEISA-N 397.784 4.319 0 1 GIAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587233134 JFHQKCGJQKIDCU-UWVGGRQHSA-N 381.379 4.045 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C1)O2 587397934 COQZODUVQWTJAL-YDIMBITNSA-N 376.500 4.213 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1coc4cc(C)c(Cl)cc4c1=O)[C@@H](C2)C3=O 587418322 ADJCLGCNEKPKFD-ZSEKCTLFSA-N 382.799 4.252 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 587487754 NRBQYGQIVFQTHD-DJEJFTSGSA-N 387.476 4.078 0 1 GIAF O=C1CC2(CCN(c3ccc(Cl)nn3)CC2)Oc2c1ccc1c2CCCC1 587499010 KEBHUKRUQAWNPY-UHFFFAOYSA-N 383.879 4.013 0 1 GIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1ccc(C(F)(F)F)n1 587622234 GEMFXOXWJSTMCQ-UHFFFAOYSA-N 384.159 4.320 0 1 GIAF COc1ccnc(Cl)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587702761 FGAOZWFHMHGAJL-AYVTZFPOSA-N 385.664 4.269 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2=COCC2)(C(F)(F)Cl)N1 587708719 ZMTSHWJVIBNXSD-XLKFXECMSA-N 396.634 4.454 0 1 GIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1C 587745556 FYUBXKKIJGOXNB-OVWNDWIMSA-N 393.300 4.285 0 1 GIAF CCOC(=O)C[C@]1(CC2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799301 RROFLNCBRKJZEE-BUXKBTBVSA-N 398.316 4.461 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CCC(=O)[C@@]3(C)CC2)N1 587818644 RQMNGIJQFSMMBH-RIPJAXHCSA-N 378.285 4.407 0 1 GIAF Cc1ccc([C@]2([C@H](C)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587826268 KBRXKGRSSNOMFV-NQCMUKECSA-N 378.285 4.055 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(C(=O)O)c2)N1 587829409 WOGCGNCXWMFBHB-MGNBDDOMSA-N 378.241 4.084 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2cccs2)(C(=O)O)N1 587856620 YCMLJWPQFYJTJK-CWTNSRDVSA-N 396.281 4.177 0 1 GIAF CCOC(=O)[C@@H](C)Oc1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1 653858796 YRXILZMIFBCAPO-CQSZACIVSA-N 390.867 4.035 0 1 GIAF Cc1cc(C)c2c(c1)[C@]1(CC(=O)O2)c2ccsc2CCN1Cc1cccn1C 962380612 XCZJYKJTAVGTRX-QHCPKHFHSA-N 392.524 4.314 0 1 GIAF COc1ccc2c(c1OC)[C@]1(CCN(Cc3ccccc3)C[C@@H]1F)N(C)[C@H](C)C2 962625786 FUUFVJDQJAYIMU-QATBIIFWSA-N 398.522 4.020 0 1 GIAF O=C(O)C[C@H]1CC[C@@]2(C1)NCCc1c2[nH]c2ccc(OCc3ccccc3)cc12 963816516 CVSOIHJWGQQXJZ-OSPHWJPCSA-N 390.483 4.363 0 1 GIAF COc1ccc(C2=Nn3c(Cc4ccc5ccccc5c4)nnc3SC2)cc1 1772639392 QHAODEDWVSQUNU-UHFFFAOYSA-N 386.480 4.389 0 1 GIAF CNC(=O)c1cccc2c(C)c(C(=O)Nc3ccc4ccccc4n3)sc12 1857564199 MMFMKUBVSKCCNK-UHFFFAOYSA-N 375.453 4.370 0 1 GIAF COc1ccc2nc(C(=O)NCc3ccc(-c4ccncc4)cc3)sc2c1 1857575391 AIMNWWXTCPIRLB-UHFFFAOYSA-N 375.453 4.297 0 1 GIAF N[C@H](Cc1cccc2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1 1857623676 WZSVRUCBLPTNFX-XMMPIXPASA-N 394.478 4.309 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)CCC[C@](O)(CO)[C@H]2[C@H]1OC(=O)C=Cc1ccccc1 2356508209 SHCWSGOALRNDNR-DUSBTPNUSA-N 386.532 4.207 0 1 GIAF CC=C[C@@H]1C[C@@H]1[C@@H]1OC2=C(Br)C[C@@H](C=C=CBr)O[C@H]21 2356760382 GABIRMUVGHAVPG-MEKDKJJDSA-N 388.099 4.425 0 1 GIAF CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3cc(F)ccc3F)C(=O)N21 12480254 GIJJBPWORLUXCK-QGZVFWFLSA-N 381.382 4.075 0 3 GIAF COc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1F 3814673 XYPOZNYKHAQGHD-UHFFFAOYSA-N 393.386 4.094 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccc(OCC)cc2)[C@H]1C(=O)NCCCOC 4214034 RPKBGPSGQIGOLI-SFTDATJTSA-N 390.524 4.252 0 1 GIAF COc1cc2cc(-c3cc4cc(OC)c(OC)cc4oc3=O)oc2cc1OC 13434844 RIYXZIMMUILXAQ-UHFFFAOYSA-N 382.368 4.241 0 1 GIAF biogenic CN1CCN(c2nc(-c3ccoc3)cc(-c3cc4ccccc4s3)n2)CC1 13808397 CHGZDTCQAUJRRZ-UHFFFAOYSA-N 376.485 4.370 0 1 GIAF Cc1cccc(N2CNC(=O)C23CCN([C@@H]2Cc4cccc5cccc2c45)CC3)c1 26404033 OYPFPMBBUXREEU-HSZRJFAPSA-N 397.522 4.174 0 1 GIAF N=c1sc(-c2ccncn2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 29464622 WCAAVWGUHUEAHE-UHFFFAOYSA-N 392.193 4.196 0 1 GIAF Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C(=O)Nc2ccccc2)cc1 40011441 CJWTWLNIGWYDQG-SEJPIABJSA-N 377.488 4.342 0 1 GIAF CC(=O)Nc1ccc(CN2C(=N)[C@@]3(CC(C)(C)Oc4ccccc43)OC2=O)cc1 45299292 NLLIDVRDRWGJNX-QFIPXVFZSA-N 393.443 4.031 0 1 GIAF CC[C@@H]1COc2cccc3c(=O)c(C(=O)NC45CC6CC(CC(C6)C4)C5)cn1c23 72106686 ZJPHCFVVUDEEFO-HHUAMSDTSA-N 392.499 4.044 0 1 GIAF CCN(CC)c1nc(NCc2cccc(C)c2)nc(Oc2ccc(OC)cc2)n1 82066184 NQSZCLYZVODFEC-UHFFFAOYSA-N 393.491 4.439 0 1 GIAF CN(C)[C@@H]1CCN(c2cc(Nc3cc(Cl)ccn3)nc(-c3ccccc3)n2)C1 84619252 OEMKIVSYIQBSIJ-QGZVFWFLSA-N 394.910 4.076 0 1 GIAF CCCCCCCCCCCCCC[C@@H](C(=O)O)[C@@](O)(CC(=O)O)C(=O)O 85636969 ABKLOAXZFTXYAG-JXFKEZNVSA-N 388.501 4.069 0 1 GIAF biogenic Cc1c(NC(=O)C23C[C@@H]4C[C@H](CC(C)(C4)C2)C3)c(=O)n(-c2ccccc2)n1C 100496806 GIQAEFHRBOMOMH-TWVWUCKLSA-N 379.504 4.029 0 1 GIAF CCN1CC[C@]23C[C@@H]4Nc5ccccc5[C@@H]4C[C@H]2[C@@H]1Cc1ccc(OC)c(O)c13 101352418 MGSQVKPJFDAIBR-KDZRTDLMSA-N 390.527 4.277 0 1 GIAF CN1CCC[C@@](NC(=O)c2ccc(C(F)(F)F)cc2F)(c2ccccc2)C1 169335864 AOWDALJRPQJRED-IBGZPJMESA-N 380.385 4.195 0 1 GIAF O=c1c2scc(-c3ccc4c(c3)OCO4)c2ncn1-c1ccc(Cl)cc1 221174752 UDXUQALABLDFJJ-UHFFFAOYSA-N 382.828 4.496 0 1 GIAF COc1cc(Br)c([C@@H](N)c2nc3cc(C)cc(C)c3[nH]2)cc1OC 586976593 WLCJYAFWCYHYRJ-MRXNPFEDSA-N 390.281 4.008 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(C)cnc3[nH]2)c1 587049947 KEIXHBXRUKZXHX-FPLPWBNLSA-N 397.866 4.310 0 1 GIAF N=C(N)c1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2c1 587138637 OWAPMBQGLMRPSI-UHFFFAOYSA-N 392.365 4.157 0 1 GIAF CC(=O)C12CC([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)(C1)C2 587354034 MIWHJZDWVLVXOO-QBHIOLROSA-N 380.415 4.408 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)cc1C(F)(F)F)[C@@H](C2)C3=O 587418781 CNHJAQMYVQTUHX-HNAYVOBHSA-N 378.346 4.385 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cccc(OC(F)(F)C(F)F)c1)[C@@H](C2)C3=O 587421947 MRYUQBAYJVAQDI-SUMWQHHRSA-N 382.309 4.421 0 1 GIAF Nc1cc2c(cc1Cl)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551680 IJOMLOSIYAGDJW-UGKGYDQZSA-N 393.826 4.431 0 1 GIAF CC(C)[C@@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577006 IXGSWPQTULYQNV-OFNKIYASSA-N 375.424 4.488 0 1 GIAF C[C@H](CCCCC(=O)O)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605101 XHSZKTGMSWFYSM-JSVDNDDVSA-N 384.428 4.394 0 1 GIAF COc1cc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587719818 LYYYQUOUZQEWFR-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCC3)o2)N1 587765987 LSBLQOGTSKJCTO-ZMZPIMSZSA-N 379.273 4.405 0 1 GIAF Cc1cccc2c1OCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587831978 AQHFNEZXRRVVJE-CWTRNNRKSA-N 376.269 4.457 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc4c(c32)CCO4)N1 587834243 KKBWAZYFBSIKLE-BIBXISHDSA-N 388.280 4.247 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCNC(=O)OC(C)(C)C 587870543 LXTUNTQCGQOMFK-UHFFFAOYSA-N 391.443 4.033 0 1 GIAF Cc1cc(C)c2c(N)c(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)sc2n1 587877140 YYDZAWIIMDNIID-UHFFFAOYSA-N 380.404 4.292 0 1 GIAF COc1ccc2c(c1)[C@](C)(c1cc(Br)ncc1F)N[C@@H]1CC[C@H]21 962995409 NGMNRKVWWCZWJE-XHBKTUGNSA-N 377.257 4.105 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccccc1)c1cc(N)ccc1C 963609153 MDMDWJLBQBPNQP-SSOJOUAXSA-N 388.511 4.421 0 1 GIAF O=C(CCC(=O)c1ccccc1)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1 1772590979 IXDZMSZTKLIRCJ-FQEVSTJZSA-N 382.847 4.484 0 1 GIAF COc1ccccc1Nc1ncc(F)c(-c2ccc(C(N)=O)c(C(C)C)c2)n1 1857638458 GNUXXWKKCHYOLW-UHFFFAOYSA-N 380.423 4.257 0 1 GIAF CCN(CC)c1ccc2cc(C3=NN[C@@H](c4ccc(F)cc4)C3)c(=O)oc2c1 1857757918 IAAPTXJXIRMMEH-LJQANCHMSA-N 379.435 4.217 0 1 GIAF Cc1nc(C)c(C(=O)N2CCC[C@H](C(=O)c3ccc(Cl)cc3C)C2)s1 12005036 BSTMPLKOASFYRF-AWEZNQCLSA-N 376.909 4.457 0 3 GIAF CCc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2cc[n+]([O-])cc2)cc1 12432424 FNGZXNPODUHAQJ-DEOSSOPVSA-N 397.478 4.152 0 3 GIAF O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774583 BDTWWPAKBITJJF-HZPDHXFCSA-N 386.835 4.288 0 1 GIAF CC(=O)OC[C@]1(C)[C@@H](O)CC[C@@]2(C)[C@H](CC[C@@H](C)CC(=O)O)C(C)=CC[C@@H]21 13330292 ZSZKTHHMIDRZNB-AXLUGCSJSA-N 380.525 4.190 0 1 GIAF C[C@H]1CC[C@](Oc2ccc(CC(=O)Nc3ccc4c(c3)CCC4)cc2)(C(=O)O)C1 27524634 IGBQTBRMCUGPNH-UPCLLVRISA-N 393.483 4.379 0 1 GIAF CCN(CC)CCCOc1ccc2c(c1)CN(C)C[C@H]2c1ccc(OC)cc1 28818089 XVGGLWKPTSTHJU-DEOSSOPVSA-N 382.548 4.383 0 1 GIAF CC[C@@H](O)c1nc2c(C(F)(F)F)cccc2c(O)c1C(=O)Nc1nccs1 29229653 DWLLKAMTJGNQAT-SNVBAGLBSA-N 397.378 4.111 0 1 GIAF Cc1cccc(CN(C[C@H]2CCCN2)C(=O)[C@H](C)Oc2cccc(Cl)c2)c1 40943687 HQHRJJYHKDTGSZ-FXAWDEMLSA-N 386.923 4.197 0 1 GIAF NC(=O)c1cnc(N2CCC(Sc3ccccc3C(F)(F)F)CC2)s1 49524968 VXTIWKKEIPKNMR-UHFFFAOYSA-N 387.452 4.022 0 1 GIAF N=C(N)SCc1ccccc1Oc1cc(Cl)ccc1CSC(=N)N 84671826 NHLMCVHWSHLEBN-UHFFFAOYSA-N 380.926 4.386 0 1 GIAF CCCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 101638158 QSURXDMYUKWSGE-PEPAQOBHSA-N 384.564 4.476 0 1 GIAF CNC(=O)c1cccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)c1 144728780 FLYJOUBLZGFLGB-NRFANRHFSA-N 383.369 4.492 0 1 GIAF COc1ccc(-n2nc(C)c3c(NCCCN(C)C)c4ccccc4nc32)cc1 169327345 IVXKCXYXORSQPW-UHFFFAOYSA-N 389.503 4.254 0 1 GIAF Cc1cc2c(N[C@@H]3CCCNC3)c(-c3nc4ccccc4[nH]3)c(O)nc2s1 299823038 CQYZLNWHKUTSMQ-GFCCVEGCSA-N 379.489 4.018 0 1 GIAF Cc1ccc(-n2ccnc2SCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(C)c1 586966408 MOADJIAZRYOKOI-IBGZPJMESA-N 392.488 4.381 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(F)c(F)c3[nH]2)cc1 587044242 YCVAOKBJVSMACI-HNNXBMFYSA-N 389.427 4.128 0 1 GIAF OCc1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587117956 YJPBLLJDOSOKNC-UHFFFAOYSA-N 384.789 4.044 0 1 GIAF Cc1cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c2cc1Br 587163565 RMYAXSHICUDUKR-UHFFFAOYSA-N 376.229 4.344 0 1 GIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587164420 VFFSPOSHWFIMHC-CQSZACIVSA-N 388.315 4.402 0 1 GIAF COC(=O)c1cc2nc([C@H](C(C)C)N(C)C)[nH]c2c(F)c1Nc1ccccc1 587198542 JJPOOCLNCIQVDS-IBGZPJMESA-N 384.455 4.491 0 1 GIAF NC1CC(Cc2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)C1 587255854 ZUMUOCUIPDAJDB-UHFFFAOYSA-N 388.393 4.114 0 1 GIAF CCn1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587339846 FTNHWPLUNYDOGS-IRLDBZIGSA-N 380.419 4.330 0 1 GIAF CCOC(=O)[C@H](C(C)C)[C@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399403 JTSTTZIWRLYZJE-URXFXBBRSA-N 395.499 4.359 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(O)ccc2Oc2cccc(O)c21 587409197 QLYQEBQLDMJVBW-QFIPXVFZSA-N 375.380 4.003 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1nc4ccccc4cc1Br)[C@@H](C2)C3=O 587410930 AHERTLPCOSZMNL-RBZFPXEDSA-N 396.240 4.495 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(Br)cccc1N(C)C)[C@@H](C2)C3=O 587413392 NWKPFQSMNMEUNM-HXPMCKFVSA-N 388.261 4.012 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N(C)C)nc1-c1ccccc1)O2 587413856 PZDKJXYFUJFJRZ-KRWDZBQOSA-N 379.485 4.473 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccc(F)cc4)c1Cl)[C@@H](C2)C3=O 587430017 YNSFKTJNWZSUAB-YWZLYKJASA-N 398.821 4.471 0 1 GIAF O=C1C[C@@]2(CCOC[C@@H]2OCc2ccccc2)Oc2c1ccc1c2CCCC1 587530177 BINWZZUXVDSGJT-LADGPHEKSA-N 378.468 4.275 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)ccc1C2 587571968 STWKWRDOPABDLS-REWPJTCUSA-N 376.383 4.421 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(C1CCCC1)CC2 587581691 JBKYEFBDHWTUDB-FQEVSTJZSA-N 379.456 4.131 0 1 GIAF CC(=O)Nc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582028 YJFJGNFXXBJCNO-REWPJTCUSA-N 389.407 4.228 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnn1-c1ccccc1 587582381 PBWZYIYZBVYZSK-NZQKXSOJSA-N 384.391 4.281 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(O)c2ccccc12 587586879 KZXSGANNPBSFRH-SIKLNZKXSA-N 385.375 4.349 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccncn1 587586962 MGVUSLVQIWLJOK-ZJSXRUAMSA-N 396.402 4.088 0 1 GIAF CC1(c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)COC1 587617979 SCMSBBKUTPNVDK-NFBKMPQASA-N 388.419 4.383 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccn2)(C(F)(F)F)N1 587708653 CVDORVOVYTWLPP-VFZGTOFNSA-N 389.190 4.323 0 1 GIAF COc1cc(F)cc(OC)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587726500 JKGIPVWASATJAQ-NIVTXAMTSA-N 398.247 4.368 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc3c2OCOC3)N1 587735898 VQBJFCNANYICEY-XYZCENFISA-N 396.231 4.217 0 1 GIAF CO[C@H](C)COC1CCC(c2nc3c(C)c(Br)cnc3[nH]2)CC1 587951832 IXLKXNLVILJRBG-QFWMXSHPSA-N 382.302 4.107 0 1 GIAF COc1ccc2c(c1)[C@](Cn1ccnc1)(c1cccc(F)c1)N(C(C)C)CC2 962085941 CCRZWGWNSLESPI-QHCPKHFHSA-N 379.479 4.241 0 1 GIAF CCc1cccc(F)c1[C@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962700969 QMIJIFFPXHXANC-WBVHZDCISA-N 385.332 4.234 0 1 GIAF CCC[C@@H](C)COc1ccc([C@@H](NC(=O)Cc2ccc(C)cc2)C(=O)OC)cc1 1772610193 YRCLBMPUGFFZIL-WZONZLPQSA-N 397.515 4.383 0 1 GIAF COc1ccc(S[C@@H](CCN2CC[C@H](O)CCC2=O)c2ccccc2)cc1 36382918 REMQDAYUMUCABE-NQIIRXRSSA-N 385.529 4.292 0 3 GIAF C[C@H](CC(=O)Nc1ccc2c(c1)c(=O)n(C)n2-c1ccccc1)c1ccccc1 61907757 PDOCMGCDOUHFBG-QGZVFWFLSA-N 385.467 4.462 0 3 GIAF CCCCN(C=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3799357 CHFVUVDSWHAXBF-WIEXBFLVSA-N 388.596 4.477 0 1 GIAF Cc1cccc(-c2nc(C[S@@](=O)CC(=O)N[C@@H](C)c3ccccc3)c(C)o2)c1 5057946 JFWORTVDCIYIFT-OLRZCDJHSA-N 396.512 4.085 0 1 GIAF O=C1N(Cc2ccccc2)C[C@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1 6580674 GPADBRIUIALHNW-RPWUZVMVSA-N 386.495 4.097 0 1 GIAF Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)c(C)n(C4CC4)c3c2F)cc(C)n1 13832974 JHJZKKXDSBWSJD-UHFFFAOYSA-N 384.382 4.300 0 1 GIAF Cc1cccc(-c2nc(COc3ccc(C[C@H](OC(C)C)C(=O)O)cc3)no2)c1 26472954 IAFWMQLCVYEVEF-IBGZPJMESA-N 396.443 4.045 0 1 GIAF CCCc1cc2c(C)cc(=O)oc2cc1OCc1ccc(C(=O)O)cc1OC 27896546 PXONQGRVFSZBIS-UHFFFAOYSA-N 382.412 4.340 0 1 GIAF O=C(NCCCNCc1cc(F)cc(F)c1)Nc1ccc(C(F)(F)F)cc1 28397762 HUHLLWAZPVRHCP-UHFFFAOYSA-N 387.352 4.285 0 1 GIAF Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(Cc2ccccc2)cc1 28889886 AMRWJLPRILFZMP-UHFFFAOYSA-N 397.482 4.270 0 1 GIAF CCCCC1([C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 39409373 SJYHFXKOZHUXKM-XBDRXMOSSA-N 394.552 4.255 0 1 GIAF CC1(C)CC(=O)c2sc(N3CCOc4ccc(-c5cn[nH]c5)cc43)nc2C1 40395153 FGYFHSJPCQLYOA-UHFFFAOYSA-N 380.473 4.219 0 1 GIAF O=S(=O)(Nc1cccc(OCc2cnc3ccccc3c2)c1)C(F)(F)F 40505968 QYDVDPFQULSOPV-UHFFFAOYSA-N 382.363 4.075 0 1 GIAF COc1cc2ncc(C(N)=O)c(Nc3cc(Cl)cc(Cl)c3)c2cc1OC 40935608 LXDSESRXFCMAFN-UHFFFAOYSA-N 392.242 4.401 0 1 GIAF CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ccncc3)cc2)no1 49034545 YJKUGONIJWVAHM-UHFFFAOYSA-N 379.420 4.263 0 1 GIAF CC(=O)N1CC[C@](C)(c2ccccc2)[C@@H]2C=C(NC(=O)OC3CCCC3)C=C[C@@H]21 59085040 BYYWYRYHYCVCLI-AOHZBQACSA-N 394.515 4.304 0 1 GIAF O=S1(=O)N=C(N(CCCc2ccccc2)c2ccccc2)c2ccccc21 64549672 WTOQPZPJSSDZDO-UHFFFAOYSA-N 376.481 4.275 0 1 GIAF COc1ccc(-c2ccc(C(=O)OCc3cc(OC)c(OC)c(OC)c3)o2)cc1 84670460 MNSFZEBVZWTPGY-UHFFFAOYSA-N 398.411 4.338 0 1 GIAF COc1cccc(OC)c1-c1cnnc(NCc2nc3cc(C)ccc3s2)n1 95581897 WCNAAPIOULSIMC-UHFFFAOYSA-N 393.472 4.086 0 1 GIAF COC(=O)[C@@H]1[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@H]1O2 100796113 IXQQMWIAXLMOHP-WTGUMLROSA-N 388.410 4.180 0 1 GIAF COc1ccc(-c2ccnc(NCCc3ccc(OC)c(OC)c3C)n2)cc1 169326329 LVPGUBUWHFHLFK-UHFFFAOYSA-N 379.460 4.132 0 1 GIAF Cc1cccc(C(=O)N[C@]23CCC[C@](NC(=O)c4cccc(Cl)c4)(CC2)C3)n1 169710848 IJPARVQEYUOEFX-FCHUYYIVSA-N 397.906 4.049 0 1 GIAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586961134 FWZCFEBKLFSYDO-RXMQYKEDSA-N 389.790 4.166 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587043016 OOQMMMZCBYJKDW-SFHVURJKSA-N 395.532 4.014 0 1 GIAF C[C@]1(c2cn3c(n2)CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340378 SMUMUYMDMDQXDW-FYYLOGMGSA-N 392.430 4.338 0 1 GIAF COC(=O)[C@@H]1CCCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346332 BIFRSSCEIAVAPM-LEDOBFOHSA-N 398.430 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(CCC(=O)O)=COc2ccc(Cl)cc21 587378242 AVVIDCFQSAGSQI-OAQYLSRUSA-N 399.830 4.232 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ncc(Cl)cc1Br)[C@@H](C2)C3=O 587414081 RQNFYNSXGLGFRC-GTNSWQLSSA-N 394.652 4.169 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCCc4cc(Br)ccc41)[C@@H](C2)C3=O 587417815 MLMRQLZLXSWPDS-JXFKEZNVSA-N 385.257 4.437 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(F)cc(Br)cc1OC)[C@@H](C2)C3=O 587424831 VYCAFFPHKIHYQR-BBATYDOGSA-N 393.208 4.094 0 1 GIAF COC(=O)Cc1[nH]c2c(C(=O)O)cccc2c1-c1cccc(C(F)(F)F)c1 587637682 NOAZDFQUZVROTK-UHFFFAOYSA-N 377.318 4.267 0 1 GIAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(Cl)c(Cl)c1 587638836 RBBBWCQMUPVSQE-UHFFFAOYSA-N 392.194 4.191 0 1 GIAF O=c1c2cc(Cl)ccc2cnn1-c1nc2c(Br)cccc2s1 587654295 RKBLZORFEKKOBK-UHFFFAOYSA-N 392.665 4.411 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C(C)(C)C)nc2)N1 587772158 DSZFMJZOCIMSAU-QFYYESIMSA-N 378.289 4.299 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ncco2)N1 587773442 IMWNNSLKNMRQNO-BUXKBTBVSA-N 387.252 4.402 0 1 GIAF COc1ccc(OC)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587806262 JKPVQISWBZZMRL-JEOXALJRSA-N 394.284 4.403 0 1 GIAF CC(C)COc1cc2nc(C[C@H](C)CCC(=O)O)[nH]c2cc1Br 587960715 MVLJPARNPPBRMF-LLVKDONJSA-N 383.286 4.404 0 1 GIAF COc1ccc(/C=C/C(=O)NCCNc2ccnc3cc(Cl)ccc23)cc1 1772586312 SCLFTEBVFKQJQV-RUDMXATFSA-N 381.863 4.138 0 1 GIAF CC(C)[C@@H]1CC[C@@]2(C)[C@H]3[C@@H]1O[C@]1(C=Cc4ccccc4)OC[C@@]3(CC[C@H]2O)O1 2356493902 KCBJXTPRNWHMEW-JXCGFFHPSA-N 384.516 4.381 0 1 GIAF COc1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC(C)C)[nH]n2)cc1OC 61929232 WVFZXNQGFCXWKQ-UHFFFAOYSA-N 399.422 4.273 0 3 GIAF CN(C)Cc1ccc(COC(=O)C(O)(C2CCCCC2)C2CCCCC2)o1 13602091 KOFXCORTHKSJIN-UHFFFAOYSA-N 377.525 4.276 0 1 GIAF CCCC(=O)NCCc1c(Br)[nH]c2cc(Br)ccc12 29330305 ICDYOFVHLGXUMT-UHFFFAOYSA-N 388.103 4.152 0 1 GIAF Nc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1C(=O)c1ccccc1 68153248 CXZKIBLOTGNXAP-UHFFFAOYSA-N 383.455 4.059 0 1 GIAF COc1ccccc1-c1csc(N[C@@H](CCSC)C(=O)NCC(C)C)n1 82192295 UCYPEUJGGVUDDA-HNNXBMFYSA-N 393.578 4.125 0 1 GIAF CC(C)COC(=O)N[C@H](C(=O)N[C@H](C)c1nc2ccc(F)cc2s1)C(C)C 95590007 VFNRHHNWFRULDR-WBMJQRKESA-N 395.500 4.019 0 1 GIAF C[C@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21CO)N(C)C 121266223 UCNIUVSOJLHWRM-IDHAOPCBSA-N 388.640 4.418 0 1 GIAF C[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(Cl)nc3Cl)oc2c1 138751676 DPWPMUSGLLXNQL-QMMMGPOBSA-N 375.215 4.057 0 1 GIAF Cc1cc(C)c(-c2[nH]ncc2C)cc1C(=O)N1CC(F)(c2ccc(C#N)cc2)C1 220778113 HQJLNTCWHLSZDR-UHFFFAOYSA-N 388.446 4.194 0 1 GIAF Nc1cnc(-c2ccc(-c3ccccc3Sc3ccncn3)cc2F)cn1 224789951 VEAPTJCLYHEQQV-UHFFFAOYSA-N 375.432 4.473 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@]12C 253995327 KXGVEGMKQFWNSR-HWOQTFEVSA-N 392.580 4.478 0 1 GIAF O=c1cc(CO)oc([C@@H]2C=C(c3ccc(Cl)cc3)Oc3ccccc32)c1O 299862847 KCOVBEFOQKYDCM-MRXNPFEDSA-N 382.799 4.057 0 1 GIAF Cn1nccc1[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586988054 WYZGGGWBCZSSGW-ZDUSSCGKSA-N 381.435 4.158 0 1 GIAF COC(=O)c1ccc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2n1 587003493 KHTVXGYARBTYAT-UHFFFAOYSA-N 386.205 4.229 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587079718 GCXHDMAJCDVLBP-ZDUSSCGKSA-N 393.624 4.353 0 1 GIAF FC(F)(F)Oc1ccc2nc(C(F)(Br)Br)[nH]c2c1 587088074 IRIIJJUDSHPTPQ-UHFFFAOYSA-N 391.944 4.331 0 1 GIAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)NCc1ccccc1 587104674 UQHVGDFWLDGSBE-UHFFFAOYSA-N 378.431 4.305 0 1 GIAF CCOC(=O)CC[C@@H](C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106259 KGNPZDFAIXNERK-HNNXBMFYSA-N 387.435 4.462 0 1 GIAF O=C(NCc1nc2cc(Cl)c(Cl)nc2[nH]1)c1cccc(C(F)(F)F)c1 587110963 HDTBDRHMJRSKTM-UHFFFAOYSA-N 389.164 4.214 0 1 GIAF CCOC(=O)c1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120543 OCCWJBMVUDKAII-UHFFFAOYSA-N 392.259 4.167 0 1 GIAF Nc1cc(F)c(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)cc1N 587136242 LZOOURQRRLXFDA-UHFFFAOYSA-N 389.150 4.315 0 1 GIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(C)nccc4[nH]3)cc2)cc1F 587147222 HAVRFNNRMOJZEN-UHFFFAOYSA-N 388.446 4.413 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(CCCNc3cc(C)ccc3OC)nc2c1 587228386 BWYRTZNQLOLJEL-UHFFFAOYSA-N 387.867 4.365 0 1 GIAF Cc1cccc(NC(=O)Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1C 587239757 WOBGIEKZHHSEBV-UHFFFAOYSA-N 385.471 4.192 0 1 GIAF COCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594245 NMLGWDNYMIUQLW-SIKLNZKXSA-N 378.380 4.078 0 1 GIAF COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587721478 VYHIXHWRVFENCG-XYZCENFISA-N 396.231 4.138 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3ccc(F)cc32)N1 587735498 UTHAFKCXDGLAFY-MGNBDDOMSA-N 380.232 4.288 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)N2CCCC[C@H]2C)N1 587757618 ANZFGHVYDOMTOR-VPZZIHKRSA-N 397.332 4.129 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)c3ccccc23)N1 587771071 BEPPRHKEIDLICQ-XTZNXHDOSA-N 387.252 4.466 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccsc2C(=O)O)N1 587846224 UMWYREJNARSAKP-VPTHRUTESA-N 384.270 4.146 0 1 GIAF CC(=O)N1N=C(c2ccc(N(C)C)cc2)O[C@H]1c1ccc(Cl)c(Cl)c1 653716304 TVBSSBGKKRKOHV-SFHVURJKSA-N 378.259 4.299 0 1 GIAF Cc1c(F)ccc2c1[C@@H](c1cc3nccc(NC(=O)C(C)(C)C)c3o1)NCC2 962091348 JZLSIWMDIJSBTM-LJQANCHMSA-N 381.451 4.495 0 1 GIAF COc1ccc([C@@]2(c3coc4ccc(O)cc34)NCCc3ccc(O)cc32)cc1 963328788 IWOAVLCMYYRWLM-XMMPIXPASA-N 387.435 4.290 0 1 GIAF COc1cc(-c2n[nH]c3cc(-c4ccc(Cl)cc4)nn23)cc(OC)c1OC 1857632791 VFJMBKMDAVXFFS-UHFFFAOYSA-N 384.823 4.071 0 1 GIAF CC(=O)Nc1cccc(-c2csc([C@@](C)(NC(C)=O)c3ccccc3)n2)c1 61898111 LYHRFDVLASZPAM-NRFANRHFSA-N 379.485 4.168 0 3 GIAF O=C(c1cccc(Cl)c1)N1CC[C@H]2C[C@H]1c1cc(N3CCOCC3)ccc12 102913637 BDOJNIJMOPHDOE-BTYIYWSLSA-N 382.891 4.251 0 3 GIAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2N 254014697 ZEIZSQCNCGCUKC-PKRXZDKWSA-N 389.536 4.053 0 3 GIAF CCOC(=O)[C@@H](C(=O)Nc1ccccc1Cl)C1=NC(C)(C)Cc2ccccc21 4646054 VWSLUTFHLASBAD-GOSISDBHSA-N 398.890 4.282 0 1 GIAF O[C@@H](CNCC(c1ccccc1)c1ccccc1)COc1cccc2ncccc12 13652252 HVTAVGCENLBPQQ-QFIPXVFZSA-N 398.506 4.396 0 1 GIAF O=C(O[C@H]1CC[C@H](/C=C/CCO)C[C@@H]1OC(=O)c1ccccc1)c1ccccc1 26143695 HKTNCUKGCAGDLN-LTLWHHQCSA-N 394.467 4.176 0 1 GIAF CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccc(Cl)c1 26577247 YFOFVZPUHCDYSB-MRPLLJTBSA-N 382.869 4.405 0 1 GIAF O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCc2ccncc2)CC1 27558839 KGZFQVVUVJRTRN-UHFFFAOYSA-N 392.330 4.073 0 1 GIAF COc1cccc(Cl)c1-c1cc2cnc(Nc3ccccc3)nc2n(C)c1=O 28331708 AYCLIJUYGZGCHJ-UHFFFAOYSA-N 392.846 4.401 0 1 GIAF CCCOCCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 28712037 XWBMCTSZMPYTAA-UHFFFAOYSA-N 380.573 4.258 0 1 GIAF O[C@H](CCCN1CCN(c2nccc3sccc23)CC1)c1ccc(F)cc1 34186876 YZSXHWKLZRAMBW-LJQANCHMSA-N 385.508 4.071 0 1 GIAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1 40917257 OYQFKYKJLYRXRV-UHFFFAOYSA-N 395.806 4.341 0 1 GIAF COc1ccc([C@@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2C(N)=S)cc1 53243732 IHEPFUCGBHRUNZ-INIZCTEOSA-N 380.300 4.397 0 1 GIAF CN1CCN(c2ccc(Nc3ncc(Cl)c(Nc4ccccc4)n3)cc2)CC1 73198798 NNOANRYJMKRQIY-UHFFFAOYSA-N 394.910 4.369 0 1 GIAF Cc1ccccc1CNc1ncnc2c1nc(C1CC1)n2CCN1CCCCC1 82180518 UZVNCCSRRMGQSI-UHFFFAOYSA-N 390.535 4.110 0 1 GIAF O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(F)cc2)cc1Cl 95583939 ZSSBVPANCGNRNX-UHFFFAOYSA-N 391.851 4.439 0 1 GIAF CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccccc2)[C@@H]1CO 95878892 NUUZRTGAIQIBSQ-IEZKXTBUSA-N 398.506 4.368 0 1 GIAF CCn1ncnc1C1=C(C)Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 101668747 POGKCWGGOVCTAN-MRXNPFEDSA-N 375.263 4.247 0 1 GIAF COC(=O)c1c[nH]n2c(NC3CCCCCC3)c(-c3ccc(OC)cc3)nc12 103618810 ZTCVMILNQNFSKK-UHFFFAOYSA-N 382.464 4.259 0 1 GIAF C[C@H]1CN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C[C@H](C)O1 139066252 QMRRPCBYJHVKFM-HOTGVXAUSA-N 377.448 4.021 0 1 GIAF CC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2cccs2)c(C)c1 140905664 YESANJKNYPTWPX-DSYPUSFNSA-N 387.545 4.435 0 1 GIAF N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2ccc(OCc3ccccc3)cc12 147196294 NGFLMUGOKKFIFU-UHFFFAOYSA-N 384.391 4.485 0 1 GIAF COc1ccc(OC)c(-c2cccc3c(N)c4c(=O)n(C5CC5)cc-4[nH]c23)c1 169729122 FTCIEMQQEORZHD-UHFFFAOYSA-N 375.428 4.036 0 1 GIAF NC(=O)C1(c2ccccc2CCc2nc(Nc3ccccc3)ncc2Cl)CC1 211098910 XUPSPUNWHXFDCO-UHFFFAOYSA-N 392.890 4.176 0 1 GIAF C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@H](O)[C@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 238731765 PGZROPJTNZDXFV-NDYNAWQSSA-N 390.656 4.496 0 1 GIAF CCCCc1c2[n+](cc3c4c(ccc13)OCO4)CCc1cc3c(cc1-2)OCO3 299827768 RMUWUBALCDKIPL-UHFFFAOYSA-N 376.432 4.150 0 1 GIAF O=C(CCc1nc2c(Cl)c(Br)cnc2[nH]1)Nc1cccc(F)c1 587164079 YYFPGTRTUMBYJY-UHFFFAOYSA-N 397.635 4.084 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ncc(-c3cccc(Br)c3)[nH]1)O2 587370267 DFPYOIBBEWGLHW-KRWDZBQOSA-N 398.260 4.436 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3cc(C)c(Br)cn13)O2 587371908 HUWNHSMSJFOLCQ-MRXNPFEDSA-N 386.249 4.002 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc3sc(C(=O)O)c(C)c3c1)O2 587413708 IVPLNDGXRCFCIU-FQEVSTJZSA-N 382.441 4.074 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1sc(N(C)C)nc1-c1ccccc1)[C@@H](C2)C3=O 587450781 KUTPRNBASNFIAL-MGPUTAFESA-N 392.480 4.373 0 1 GIAF CCCCC[C@@]1(CP(=O)(OC)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587450958 WIBZWTQXMWPWJR-BEFAXECRSA-N 382.393 4.248 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(SC)sc(SC)c1CO)[C@@H](C2)C3=O 587451045 IQJABLFKVPSWQJ-MGPLVRAMSA-N 394.539 4.182 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Br)n1)CC2=O 587460122 RQPUOMADWAFWMW-MRXNPFEDSA-N 392.249 4.217 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(=O)OC(C)(C)C)[C@H]1C)CC2=O 587477389 XTZQWELGJTTYTA-FPTDNZKUSA-N 389.492 4.468 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cc(C)c(O)c(C)c1)CC2=O 587487765 IHBKKSPYWGBVQO-HSZRJFAPSA-N 398.455 4.393 0 1 GIAF CCOC(=O)C[C@]1(c2cccc(O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587525804 SBYJKGHDCNNHBN-QHCPKHFHSA-N 380.440 4.085 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3cc(F)ccc32)N1 587733743 OJYBAJXWLPXIFU-MLCYQJTMSA-N 378.216 4.411 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)cn2)N1 587752999 GUTOIPQSDLXQDY-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2cccnc2)N1 587753430 IRVVBWKTKMAJNZ-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF CC(C)n1ncc2c1CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587755977 CEPOXFOUXJKPFL-BLVKFPJESA-N 392.316 4.480 0 1 GIAF C[C@H]1CN(C(C)(C)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)C[C@H](C)O1 587757854 BOEVGLRQRHVUTC-OVSNFEJUSA-N 399.348 4.051 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccnc2)(c2ccccn2)N1 587769367 FXPDWRFSCXELFZ-RBZFPXEDSA-N 398.279 4.204 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ncco2)N1 587775579 SAWAXWOMAUCWPE-BUXKBTBVSA-N 387.252 4.402 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc2cccnc12 587868149 VTUZREYNVUXDJZ-UHFFFAOYSA-N 398.344 4.209 0 1 GIAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@H]2c1nc2c(s1)CCC2 962961562 SHYDIIJTONVLGU-KRWDZBQOSA-N 394.462 4.391 0 1 GIAF CCOC(=O)c1ccc([C@]2(c3cccs3)NCCc3ccc(O)cc32)s1 963327828 AEMPKNGAEXKKIM-FQEVSTJZSA-N 385.510 4.130 0 1 GIAF O=C1c2ccccc2CN1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857642916 INCORVUFHIEXTN-KRWDZBQOSA-N 392.405 4.090 0 1 GIAF Cc1c(C(=O)NN2C(=O)CSC23CCCCC3)[nH]c2ccc(Cl)cc12 1911585683 ZMPLYSZBRPRHMB-UHFFFAOYSA-N 377.897 4.010 0 1 GIAF COc1cccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccoc2)c1OC 775893 GIUGRDHVNJNTQY-UHFFFAOYSA-N 398.459 4.222 0 1 GIAF CC(C)=CCC[C@]1(C)Oc2cc(C=O)c(C=O)c3c2[C@H]2[C@@H](O3)[C@@](C)(O)CC[C@H]21 3826627 JBVANMOFCVQYLP-MQRVUQIVSA-N 384.472 4.215 0 1 GIAF O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 4053765 DOMZMSRNJFKBDH-CTNGQTDRSA-N 394.471 4.338 0 1 GIAF CCN1C(=O)Cc2cc(CCN3CCN(c4cccc5ccccc45)CC3)ccc21 13822236 SZIFDVUATXWDDZ-UHFFFAOYSA-N 399.538 4.114 0 1 GIAF O[C@@](Cn1ccnc1)(c1ccc(Br)cc1)c1ccccc1Cl 26849750 VPYMOAPGOGGAAP-KRWDZBQOSA-N 377.669 4.235 0 1 GIAF O=C(O)c1cn2c3c(c(Cl)c(F)cc3c1=O)S[C@H](c1ccccc1F)C2 27094312 REVMAKQVMSMFDI-ZDUSSCGKSA-N 393.798 4.478 0 1 GIAF O=S(=O)(c1ccccc1)n1ccc2c(OCCN3CCCCCC3)cccc21 28130912 YBIJQGCKCGQBMA-UHFFFAOYSA-N 398.528 4.133 0 1 GIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccccc3C(C)=O)cc2)C[C@H]2CC[C@@H]1N2C 34339181 IKFLALJPMIMFEC-TWHAJKEOSA-N 377.484 4.296 0 1 GIAF CCCO[C@]1(c2ccccc2)c2ccccc2C(=O)N1CCCC(OC)OC 35064413 NLWIVDJZADRRGV-HSZRJFAPSA-N 383.488 4.169 0 1 GIAF Nc1ccccc1-c1nnc(C(=O)NCc2ccc(Oc3ccccc3)cc2)o1 43120874 VGPNYWIXGVIMJX-UHFFFAOYSA-N 386.411 4.041 0 1 GIAF O=C(Nc1ccc(N2CCN(Cc3cccc(F)c3)CC2)cc1)c1cccs1 45191672 SOHSLRNRHRVZKH-UHFFFAOYSA-N 395.503 4.462 0 1 GIAF CCc1ccc(NC(=O)Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 45317254 BDYZIVKCRPQCSE-UHFFFAOYSA-N 384.439 4.402 0 1 GIAF Cc1cccc(C(=O)c2cccn2C/C=C/c2cccc(OCC(=O)O)c2)c1 66259817 GWEJCLJGWWNLKO-XBXARRHUSA-N 375.424 4.204 0 1 GIAF CC1(C)OC[C@@H]([C@]2(C)C=C3CC[C@H]4[C@@](C)(C[C@H](O)C[C@@]4(C)CO)[C@@H]3CC2)O1 70455257 RFVIIASIYASSNN-VTUWCDCKSA-N 378.553 4.050 0 1 GIAF biogenic,in-vitro O=C(O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2c1cnn2Cc1ccncc1 95585779 NNZQEBDELBUZBE-UHFFFAOYSA-N 398.344 4.259 0 1 GIAF CC(C)(CN1C(=O)CC(=O)N(C2CCCC2)C1=O)c1cccc(C(F)(F)F)c1 101678002 OKBLELHWHJNDFF-UHFFFAOYSA-N 396.409 4.107 0 1 GIAF Cc1nc(SCC(=O)Nc2nccs2)n(Nc2ccc(Cl)cc2)c1C 103192807 IHKFKYOOSMMSOZ-UHFFFAOYSA-N 393.925 4.216 0 1 GIAF O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)NCc1ccccc1 103199221 PLSFHBIHMMKCEP-VAWYXSNFSA-N 380.451 4.264 0 1 GIAF COP(=O)(OC)[C@@H](OC(=O)COc1cccc(C)c1C)c1ccccc1 103215540 ARGWLNZTLLBKHJ-LJQANCHMSA-N 378.361 4.410 0 1 GIAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@H]3[C@H]1C5 169351327 GRNLHIJZMLLROK-PMWPQBSLSA-N 396.490 4.258 0 1 GIAF COc1ccc(COC(=O)C2=C(CC(C)C)NC(=O)N[C@@H]2c2ccccc2)cc1 205384149 SJSDKQMCPZUKQS-OAQYLSRUSA-N 394.471 4.093 0 1 GIAF COc1ccccc1-c1cccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)n1 223396621 VTSZDUPALFXQOD-FQEVSTJZSA-N 390.439 4.011 0 1 GIAF COc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1OC 586914622 ZRBOYZUWKCEQAC-UHFFFAOYSA-N 390.395 4.348 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@@H]3Cc4ccccc4S3)nc-2[nH]1 587043874 WLYCGSRULITRPC-HNNXBMFYSA-N 375.457 4.012 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@@H]3C[C@H]3c3cccc(F)c3)nc-2[nH]1 587161625 PAARXUPZQCSCTN-JKSUJKDBSA-N 375.407 4.032 0 1 GIAF CC(=O)OC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587353033 KXEJIWQLPCIXOU-LVKMRUPZSA-N 384.403 4.135 0 1 GIAF CCn1nc(C)c(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547572 MLINCAIQAWCQAY-QRWLVFNGSA-N 384.819 4.273 0 1 GIAF C[C@H](N=O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574986 ZRBUSSFNTWCMLT-OSGPJOMKSA-N 375.380 4.404 0 1 GIAF CCC[C@]1(c2c(C)n[nH]c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589425 OKQQXWIPCXIMSA-DENIHFKCSA-N 378.428 4.389 0 1 GIAF Nc1ccc2oc(C(=O)n3nc(-c4ccc(F)cc4)c4ccccc4c3=O)cc2c1 587659791 DCRDWIMEXXFQEX-UHFFFAOYSA-N 399.381 4.220 0 1 GIAF CCOc1ccc(-c2nn(C(=O)[C@H]3C[C@@H]3C)c(=O)c3ccccc23)cc1OCC 587668817 FPEVLFIDCJRFJY-KSSFIOAISA-N 392.455 4.157 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2-c2ccccc2)N1 587762659 ZDGTVMIQKSEDTK-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn([C@H]3CCCCO3)n2)N1 587766713 WNEVRALIKKGSKI-HWOJHCLVSA-N 394.288 4.107 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccncc2)N1 587778952 PBJUPXQOTZDQOE-ZMZPIMSZSA-N 377.257 4.006 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3nc[nH]c32)N1 587804568 ROKLIIJPISMLLA-MLCYQJTMSA-N 378.289 4.062 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@]1(C)CC[C@H]2C1(C)C 587827952 MGADWBINPZIUPX-QDXAXBGHSA-N 380.301 4.343 0 1 GIAF COC(=O)c1csc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587844855 CEYFXQIZSIBCQX-AYVTZFPOSA-N 384.270 4.060 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCc1cccnc1 587861715 BTOBMBNHZXZSLK-UHFFFAOYSA-N 375.350 4.246 0 1 GIAF COc1ccc(CC(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862654 UNDADHVRRCAAHW-UHFFFAOYSA-N 390.361 4.469 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)nc(Cl)c1C 587868942 WWDSURNYCFOMJP-UHFFFAOYSA-N 383.761 4.022 0 1 GIAF CO[C@@H](C)COC1CCC(c2nc3ccc(Br)c(O)c3[nH]2)CC1 587950223 AFXQXLYTIGJLOE-UNXYVOJBSA-N 383.286 4.109 0 1 GIAF Nc1nc2cc(-c3ccccc3)ccc2c(=O)n1C[C@@H]1C[C@H](c2ccccc2)CO1 653785001 RNOWCBRECJJYFL-SFTDATJTSA-N 397.478 4.218 0 1 GIAF CC[C@@H](Cc1ccc(C(=O)NCc2ccccc2C(F)(F)F)cc1)C(=O)O 653797745 FQJBOLIIHNNOAV-AWEZNQCLSA-N 379.378 4.289 0 1 GIAF COc1ccc2c(c1)[C@](C)(c1nnn(-c3cccc(Cl)c3)c1C)N[C@@H]1CC[C@H]21 962999681 ZBXPTIQAENGGBH-SYYKKAFVSA-N 394.906 4.350 0 1 GIAF Cc1ccc(C(=O)[C@]2(c3ccccc3)NCCc3c(C(=O)O)cccc32)cc1C 963131250 MTWZSQBRPWEUBY-RUZDIDTESA-N 385.463 4.274 0 1 GIAF N[C@@H](CNCc1cc2cc(-c3ccc4ccccc4c3)ccc2s1)C(=O)O 1772577354 ZEEWVVHNUHNZHK-FQEVSTJZSA-N 376.481 4.223 0 1 GIAF CN(Cc1ccc(C(F)(F)F)cc1)c1cc(C(=O)NC2CCCCC2)ncn1 1772631797 PUWQSZVUNXIOHV-UHFFFAOYSA-N 392.425 4.194 0 1 GIAF COc1cc2c(c(OC)c1OC)-c1cc3cc([C@@H](C)O)oc3cc1[C@@H](O)CC2 1772636972 OANSUPXVOFHHME-BZNIZROVSA-N 384.428 4.159 0 1 GIAF C[C@@H](NC(=O)/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)[C@@H](O)c1ccccc1 1772653188 LHOQGWQNUGSEBJ-ZQINLGPMSA-N 397.478 4.481 0 1 GIAF NC(=S)c1cccc(-c2cn(CCC(F)F)c3cc(CO)cc(F)c23)c1 1857593383 ILYLSKAKGTXZSB-UHFFFAOYSA-N 378.419 4.229 0 1 GIAF N[C@H]1CCC[C@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc5ccccc45)c3c2)C1 1857746745 WKHKPYJZGLRMEQ-IRXDYDNUSA-N 399.498 4.338 0 1 GIAF CC(=O)O[C@@H]1C[C@@H]2[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]2(C)[C@@H](O)C=C[C@@H]12 2356399261 RCMYBWOAYFVOPI-MCERKANHSA-N 388.548 4.303 0 1 GIAF CN[C@@H](Cc1ccccc1)[C@H]1c2[nH]c3ccc(Br)cc3c2CCN1C 2356797901 OPHNYAFRPVFBDE-FPOVZHCZSA-N 398.348 4.290 0 1 GIAF Cn1nnnc1Sc1ncnc2scc(-c3cccc(C(F)(F)F)c3)c12 36380178 VLYWPFPPMYHFIY-UHFFFAOYSA-N 394.407 4.052 0 3 GIAF Cc1ccc(C(=O)N[C@@H]2CCCCN(Cc3ccc(Cl)cc3)C2=O)c(C)c1 199716211 GVJXSWZXZILXFK-HXUWFJFHSA-N 384.907 4.268 0 3 GIAF CCCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 4792810 VOLQHNFZNZQETD-FGZHOGPDSA-N 389.499 4.005 0 1 GIAF CCN1CCN([C@H]2Cn3cccc3Sc3ccc(Br)cc32)CC1 22925275 PHGLWACKDGVPPP-INIZCTEOSA-N 392.366 4.094 0 1 GIAF O[C@H](CCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(F)cc1 27196513 UIHHLYXRHNSTAF-LJQANCHMSA-N 385.508 4.071 0 1 GIAF CCCCNC(=O)OC1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1 27200579 UETOPPXLDFWGKS-UHFFFAOYSA-N 388.899 4.292 0 1 GIAF CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN(C)C)c1ccccc1 28827200 SARDOHYMRJFBKL-QFIPXVFZSA-N 385.458 4.158 0 1 GIAF CC(=O)OC[C@]1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2C=C[C@H](O)[C@]21C 32296245 DLHMIGHUNOKCMU-XRMRWFDOSA-N 388.548 4.305 0 1 GIAF CCCCCC[C@@H](CCC)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 40919114 SLBCXBXZOZRPGE-ZIAGYGMSSA-N 381.991 4.427 0 1 GIAF Cc1cc(OC(F)F)nc(C)c1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O 49111097 YTZHDYJRNDWJEJ-SNVBAGLBSA-N 384.814 4.225 0 1 GIAF CCOc1cccc(-c2nc(CNCCc3cc(OC)ccc3OC)co2)c1 72139615 KHJCZCFIXCSHSB-UHFFFAOYSA-N 382.460 4.090 0 1 GIAF CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(OC)c(F)cc2c1=O 95555953 ZIRLMVDCUSOULK-UHFFFAOYSA-N 375.783 4.173 0 1 GIAF COc1ccc(NC(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 142758230 SOJIKBIURBRJFR-UHFFFAOYSA-N 396.878 4.251 0 1 GIAF O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@H]3CCc4ccccc43)[C@@H]2C1 169360794 GNAKQYNBEYESRS-WDUDNPMWSA-N 396.527 4.222 0 1 GIAF CC(C)(C)OC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299820358 NBHMWIWFTLXHNU-VLDRPNAOSA-N 375.553 4.466 0 1 GIAF COc1ccc2c(c1)oc(=O)c1c(C)nn(-c3ccc(Br)cc3)c12 299823453 GNUMQDUZCHAXNX-UHFFFAOYSA-N 385.217 4.211 0 1 GIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2c(C)c(Br)cnc2[nH]1 586963387 MNBZKOVSGUQPQA-JTQLQIEISA-N 394.298 4.076 0 1 GIAF CC1(C)CC(=O)C(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)C(=O)C1 586991664 VHZFZCVKAFKPQZ-UHFFFAOYSA-N 385.419 4.194 0 1 GIAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc3c(cc2[nH]1)OCCO3 586995587 IXWYQJNBSQBPAF-UHFFFAOYSA-N 389.249 4.411 0 1 GIAF COc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Cl 587007042 KXWWJKJZWSILEQ-UHFFFAOYSA-N 377.629 4.302 0 1 GIAF Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CCC(=O)C[C@@]1(O)C4)-c1ccccc1C2=O 587101495 NSDZAQCFUHEKNA-JWQCQUIFSA-N 383.447 4.053 0 1 GIAF NC(=O)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587148508 BFDOLEADZXEKNF-LJQANCHMSA-N 379.366 4.108 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(=O)n(Cc3ccccc3)c1)O2 587382418 PNFXMMWEHVQAGP-FQEVSTJZSA-N 394.858 4.147 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(SC(C)C)nc4sccn14)[C@@H](C2)C3=O 587454093 UVQBZARJXONMLO-SJCJKPOMSA-N 386.498 4.394 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCC(=O)O)cc1)CC2=O 587486046 XZCPQUSUNJYNSJ-FQEVSTJZSA-N 384.428 4.295 0 1 GIAF CCO[C@@H](C)c1ccc([C@@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587510488 KXUMUDGZBONSPT-FYSMJZIKSA-N 379.500 4.482 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)o1 587546559 WQRBDLDZSSBHKO-YJBOKZPZSA-N 387.185 4.451 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1Cc1cccnc1 587576918 LGWDFQILBGUXCS-URXFXBBRSA-N 398.418 4.340 0 1 GIAF CCC[C@]1([C@H](CC)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593590 LVLIZBUXYDRFAE-YBOAYWMSSA-N 384.428 4.092 0 1 GIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)cc1C 587595735 RWCJKLYHGSJYLD-NFBKMPQASA-N 392.407 4.421 0 1 GIAF Cc1cccnc1NC(=O)c1c(C)[nH]c2c1c(Br)cc1n[nH]cc12 587622889 IZUVAAMRMCPXBR-UHFFFAOYSA-N 384.237 4.071 0 1 GIAF CO/C(C)=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587707323 TXXMAEVXFZONDO-QVFBCMTPSA-N 382.195 4.430 0 1 GIAF CCC(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587707782 WVFLBTJPGVIDDN-RTHLEPHNSA-N 382.195 4.249 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3ccc(F)cc32)N1 587736534 WEYUVDFUEQATSX-YPMLDQLKSA-N 379.248 4.321 0 1 GIAF CCn1cc([C@@]2(CC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587757586 OWNFTTTUCKNPTR-VOJFVSQTSA-N 380.305 4.301 0 1 GIAF COc1cncc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587776026 VQBDMMXKDKCBFX-BBATYDOGSA-N 379.273 4.200 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ncc[nH]2)(c2cccs2)N1 587850785 FSTHNDMYTGCKFT-QGHHPUGFSA-N 392.297 4.199 0 1 GIAF C[C@@]1(Cc2ccc(Cl)cc2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962638713 NLJHTFRZSNUQDB-AEFFLSMTSA-N 399.796 4.295 0 1 GIAF CC(C)(C)[C@@]1(CCCCCC(=O)O)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963219261 DJZFTFDLKQZJBO-XXBNENTESA-N 398.503 4.110 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]21CN(C(=O)OC(C)(C)C)CCC[C@@H]1F 963271265 TWYAXJKKCOPZOD-OXJNMPFZSA-N 398.906 4.059 0 1 GIAF CN(C)CCNc1cncc(-c2ccc3[nH]cc(-c4ccc(F)cc4)c3c2)n1 1857638303 NLIRZAJMWQYPLA-UHFFFAOYSA-N 375.451 4.405 0 1 GIAF O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccccc1 5573972 HBTZPLWKUHURCV-OAQYLSRUSA-N 399.498 4.200 0 3 GIAF COc1ccc(C[C@@H]2C(=O)C[C@H]3CCN(C(=O)C4CCC4)[C@H]4CCC[C@@H]2[C@@H]43)cc1 211062821 ZLLHBJKBYACOBN-XCHBDBKASA-N 395.543 4.260 0 3 GIAF COc1cccc(CN2C[C@@H](C)NC(=O)c3sc4ccc(OC)cc4c32)c1 594114 KHIVJUGWFVBXIC-CYBMUJFWSA-N 382.485 4.057 0 1 GIAF C[C@@]12C[C@@H](NC(=O)N1c1ccc(F)cc1)c1cc(Br)ccc1O2 2498614 SVXUDUAQUJQQKY-RHSMWYFYSA-N 377.213 4.358 0 1 GIAF CCOC(=O)c1cc(C)n(CC2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1C 6942001 CZVYOQGMDUIIRN-DZIBYMRMSA-N 388.552 4.347 0 1 GIAF O=c1[nH]c(CCCN2CC=C(c3ccccc3)CC2)nc2c(Cl)cccc12 13581550 RTHFDNGPDMXTQU-UHFFFAOYSA-N 379.891 4.298 0 1 GIAF CCCN(CCC)c1cc(C)nc2c(-c3ccc(N(C)C)nc3C)c(C)nn12 13583111 QMWZFTINOXTWCZ-UHFFFAOYSA-N 380.540 4.409 0 1 GIAF C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Br)c3)c2c1 13797519 YXFCBQUDPXMRJR-UHFFFAOYSA-N 387.212 4.400 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2cnc3cccc(-c4cccnc4)c3c2)cc1 28957618 FXRHCXVVSOOGRY-UHFFFAOYSA-N 375.453 4.335 0 1 GIAF CC(=O)SCC(=O)Cc1cn(C(=O)OCc2ccccc2)c2ccccc12 35086842 KFKIPDJTXBQTHU-UHFFFAOYSA-N 381.453 4.218 0 1 GIAF C[C@H]1[C@@H](c2cccc(Cl)c2)OCC(C)(C)N1C(=O)CCN1CCCCC1 45209730 KLWRRDGRZPNIEA-JXFKEZNVSA-N 378.944 4.283 0 1 GIAF COc1cc(/C=C/C(=O)Nc2ccccc2C(N)=O)ccc1OC1CCCCC1 49034537 YIXZULDKHMPINX-WYMLVPIESA-N 394.471 4.158 0 1 GIAF CCCc1ccc(N2CCCN(C(=O)c3noc4c3CCCCC4)CC2)cc1 95555718 IWHDOCJAKQSFGK-UHFFFAOYSA-N 381.520 4.249 0 1 GIAF COc1ccc2sc(CNc3nncc(-c4c(C)cccc4C)n3)nc2c1 95585888 MMFFBERTCFTZCM-UHFFFAOYSA-N 377.473 4.386 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4ccc5occc5c4)ccc31)[C@H]1CC[C@@H](C2)N1 96175257 AUZWOAZSYDDIHT-KBXCAEBGSA-N 392.480 4.107 0 1 GIAF O=C(c1ccc(-c2cc3ccccc3oc2=O)nc1)c1cc(Cl)ccc1O 98085364 OHXGVCXYQCHDIH-UHFFFAOYSA-N 377.783 4.445 0 1 GIAF COc1cc(-c2ccc3ncnc(Nc4ccc5[nH]nnc5c4)c3c2)ccc1O 143009490 KESTWPLUUMJUJR-UHFFFAOYSA-N 384.399 4.026 0 1 GIAF CCc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167404016 PTCAJWJPTGGYBM-UHFFFAOYSA-N 387.483 4.054 0 1 GIAF OC1=C[C@@]2(O)CC/C=C/CCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 169348129 GTTZJRAWTCRMLB-QILPKZPISA-N 398.591 4.185 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169366474 GNWBLLYJQXKPIP-NOZLKIDESA-N 388.596 4.334 0 1 GIAF C[C@@]1(c2cccc(NC(=O)c3ncc(Cl)cc3Cl)c2)CCSC(N)=N1 169687399 AYXQTOHSSLPRLR-KRWDZBQOSA-N 395.315 4.308 0 1 GIAF COCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4occc34)CC2)CC1 261189333 YNSPDEYTWHJYJV-KESTWPANSA-N 398.547 4.324 0 1 GIAF Cc1cc(F)c2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc2c1 587019965 VAXGMDCWODYLFK-UHFFFAOYSA-N 382.420 4.016 0 1 GIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cnc3ccccc3c2[nH]1 587042788 MJBZDLTZZLHMHE-INIZCTEOSA-N 380.860 4.420 0 1 GIAF FC(F)(F)c1ncc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2n1 587085217 NHEYTGFVYAYWHH-UHFFFAOYSA-N 376.729 4.149 0 1 GIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc3c(cc2[nH]1)OCCCO3 587167059 GRZBVJKOCSKAEV-QGZVFWFLSA-N 396.422 4.232 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)nc2c1 587233996 YQSQKVIPNXYDIV-AAEUAGOBSA-N 393.871 4.164 0 1 GIAF CC(C)Oc1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(=O)CC3)[nH]c2c1 587234769 VJPRRMIRABWBLY-UHFFFAOYSA-N 387.480 4.213 0 1 GIAF Nc1cccc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341525 ZAFOPNNDEWGMAH-OFNKIYASSA-N 391.398 4.150 0 1 GIAF COC(=O)CC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351498 MWQOAPLUUQPYIU-GPVKKSAQSA-N 398.430 4.382 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1ccc(F)c(F)c1)CC2=O 587466168 KEJWHCFUMRIPJU-NRFANRHFSA-N 390.382 4.047 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]1CNC(=O)OC(C)(C)C)CC2=O 587471876 WDMHRYYZRCYDRX-RCDICMHDSA-N 389.492 4.374 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(-c3ccccn3)c1C)CC2=O 587475010 JXUIYAZYOPQCBP-IBGZPJMESA-N 377.444 4.249 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C(C)=O)c(OC)cc1OC)CC2=O 587479030 LZMXVKWRRYJEOS-QHCPKHFHSA-N 398.455 4.445 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccccc1CC(=O)OCC)CC2=O 587484713 UNQGOVXFKJDEBI-HSZRJFAPSA-N 382.456 4.331 0 1 GIAF C[C@@]1(CC(=O)Nc2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587511433 KPGCSEAWCWEIRQ-QHCPKHFHSA-N 393.439 4.047 0 1 GIAF CCOC(=O)[C@@H]1Cc2ccccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526286 SNKMVOKMOQWLHN-GBXCKJPGSA-N 376.452 4.162 0 1 GIAF C[C@H](C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)OC(C)(C)C 587595392 NJYFIXADRXMYBU-BVGQSLNGSA-N 384.428 4.090 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]([C@H]1CCOC1)C2 587617455 PRUIAHHEQYQCJJ-PRLPJYAQSA-N 380.440 4.319 0 1 GIAF COc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C 587659817 DPEHNMJAVCENQD-UHFFFAOYSA-N 388.398 4.208 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2=COCC2)(C(F)(F)F)N1 587710247 QVYCLCDVGCZKEN-XLKFXECMSA-N 380.179 4.184 0 1 GIAF CCOc1cc(O)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587804398 ZEUGUHOHRLDOTA-XTZNXHDOSA-N 380.257 4.316 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C(=O)O)(c2ccccc2)N1 587826491 HNYMWLCUGOFQOQ-AHSSQOHYSA-N 390.252 4.007 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cccs2)on1 587872549 MYAJGNTWROTCBQ-UHFFFAOYSA-N 383.404 4.493 0 1 GIAF CCOC(=O)Cc1ccc2nc([C@@H](CC)c3ccc(OC)c(OC)c3)[nH]c2c1 587925546 COEUIRVBXNFBCO-INIZCTEOSA-N 382.460 4.228 0 1 GIAF COc1cccc(C(=O)c2ccc(-c3nc4cc(F)c(C(=O)O)cc4[nH]3)cc2)c1 587930457 CFQOGTDVDQSLLT-UHFFFAOYSA-N 390.370 4.307 0 1 GIAF Cc1ccc([C@@]2(c3cnccc3C)N[C@H](C(=O)O)Cc3cccc(F)c32)c(C)c1 962905084 YFVAWXPPJMGZJZ-URXFXBBRSA-N 390.458 4.037 0 1 GIAF Clc1cccc(C[C@@]2(COc3cncc(Br)c3)CCCNC2)c1 1857589614 RXGBULCCROTTCB-SFHVURJKSA-N 395.728 4.489 0 1 GIAF c1cc(-c2ccc3ncnc(Nc4nccs4)c3c2)cc(N2CCOCC2)c1 1857637161 AUPJLQBISRWMLA-UHFFFAOYSA-N 389.484 4.334 0 1 GIAF CC(=O)n1cc(C(=O)Nc2cc(C(=O)O)ccc2NCC2CC2)c2ccccc21 1857644565 RUVOTMIQRRZLBW-UHFFFAOYSA-N 391.427 4.074 0 1 GIAF CC(C)C[C@@H](COc1ccccc1)N1CCN(Cc2ccccc2)CCC1=O 12474427 HGTOYQXTMPSLQB-QFIPXVFZSA-N 380.532 4.215 0 3 GIAF COc1ccc(NC(=O)NC2C[C@@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1 1368553 RSOYDOJRPXGYNE-SFTDATJTSA-N 379.504 4.402 0 1 GIAF CCOc1ccccc1C(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1 3649812 XNSOZZKHDYXEEQ-UHFFFAOYSA-N 391.471 4.031 0 1 GIAF OCCCNc1cnc(Cl)c(-c2cncc(Nc3cccc(Cl)c3)n2)c1 13648429 CWSMCLMKHVQLFW-UHFFFAOYSA-N 390.274 4.383 0 1 GIAF N=C(NCCCc1c[nH]cn1)NCC[C@@H](c1ccccc1)c1ccc(Cl)cc1 13816375 CZOAWFCKCUQZAO-NRFANRHFSA-N 395.938 4.332 0 1 GIAF C[C@@H]1C[C@H](O)[C@@]2(C)[C@@H](C)C(=O)CC[C@@H]2[C@@]1(C)COc1ccc2ccc(=O)oc2c1 14594097 XYUJBOZUFFMPGO-UOQWWMSCSA-N 398.499 4.200 0 1 GIAF endogenous,in-man CC[C@@H]1CN(CC(F)(F)F)c2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2O1 14967323 IQQRIPUVKLNOMK-MRVPVSSYSA-N 380.288 4.087 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 26388472 UVYBXVJYKDNRLY-BDMAMBTQSA-N 386.580 4.460 0 1 GIAF COc1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)cc1OC 27213602 WSWQKMQFSHHBKU-HMMYKYKNSA-N 377.484 4.364 0 1 GIAF CCN(CC)[C@H](C)c1cccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 28340150 YSIMPMRBLCPSEO-QRQCRPRQSA-N 383.488 4.293 0 1 GIAF CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 35983639 AXAOPFYBXOTZNV-UHFFFAOYSA-N 399.493 4.103 0 1 GIAF N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 71318619 GAQCDUGVDCYPBQ-IBGZPJMESA-N 378.859 4.080 0 1 GIAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(C)cc1 72141717 JOAXJGDCRUOOCX-XPWALMASSA-N 382.552 4.393 0 1 GIAF COc1ccc(CN2C(=O)CN(CC3CCCCC3)C(=O)c3ccccc32)cc1 95562014 SFEGKIOKIDNCOZ-UHFFFAOYSA-N 392.499 4.265 0 1 GIAF CCN1c2ncc(CCc3ccc(OC)cc3)cc2C(=O)N(C)c2cccnc21 95587317 QTNMWIFMBHFVRD-UHFFFAOYSA-N 388.471 4.018 0 1 GIAF O=c1ccn(-c2cccc(C(F)(F)F)c2)nc1-c1ccnn1-c1ccccc1 114006401 YGKPLXQSJLTMCO-UHFFFAOYSA-N 382.345 4.104 0 1 GIAF in-vitro CC(=O)Oc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc([C@H](C)N)cc1 165022606 IRDQECODCUWLBM-NSHDSACASA-N 378.453 4.355 0 1 GIAF O=C(O)c1ccc(O)c2ncc(N3CCCC[C@@H]3CCc3ccccn3)cc12 169340465 MHUSDGUNSHWROY-MRXNPFEDSA-N 377.444 4.025 0 1 GIAF Cc1ccc(C)c2sc(NC(=O)c3ccc(-n4c(O)ccc4O)cc3)nc12 169693262 YXAYTVIEZYLZQF-UHFFFAOYSA-N 379.441 4.367 0 1 GIAF Cc1cc(Nc2ccc(CC[C@H]3COC(N)=N3)cc2)ccc1OC(F)(F)F 169701156 KIXOQIISEJXZRJ-INIZCTEOSA-N 379.382 4.283 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4[C@H](C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169724662 ZTHAQUDQAORYRJ-LYNBEELSSA-N 386.580 4.373 0 1 GIAF CC[C@H]1CC=C(c2ccc3c(c2)[C@]2(COC(N)=N2)C2(COC2)C(C)(C)O3)CC1 220720333 CTBXKHLRFQFYGO-NPMXOYFQSA-N 382.504 4.008 0 1 GIAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(C)c3C2=O)c(F)c1 473169204 MNJUVXPWCIDYRL-UHFFFAOYSA-N 378.359 4.088 0 1 GIAF Cc1ccc2c3c(cc(-c4ccc(-n5cnnn5)cc4)nc13)-c1ccccc1C2=O 587099052 ZGQSCMYABKLWMH-UHFFFAOYSA-N 389.418 4.397 0 1 GIAF O=C(c1ccccc1)c1ccc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1 587118996 URXLKMPIFYYGCF-UHFFFAOYSA-N 384.361 4.252 0 1 GIAF Cc1cc(Br)cc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c12 587175655 XAGLLGBPTGEJDZ-CQSZACIVSA-N 387.256 4.497 0 1 GIAF Oc1nc(O)c2ccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc2n1 587369285 YLPDHHKFBLIQDW-UHFFFAOYSA-N 375.228 4.141 0 1 GIAF CCOC(=O)[C@@]1(c2ccc(Cl)c(Cl)c2)CC(=O)c2cc(C)cc(N)c2O1 587377185 VENUOURMHQLFII-IBGZPJMESA-N 394.254 4.308 0 1 GIAF CCOC(=O)[C@H](CC)[C@@]1(c2cccc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587401292 VRJHCOIYOXOSPM-MBSDFSHPSA-N 381.472 4.336 0 1 GIAF COc1cc2c3c(c1)O[C@H](C1(c4ccccc4Cl)CCOCC1)[C@@H](C2)C3=O 587418035 GPSPWMVWYXSFLV-BTYIYWSLSA-N 384.859 4.213 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CC1CCCCC1)C(=O)O 587604539 UVPLSWRLIKTALO-XMSQKQJNSA-N 382.412 4.148 0 1 GIAF Cc1nc(Cl)c(C)c(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587656098 ARULKMVQSFXQMV-UHFFFAOYSA-N 380.810 4.252 0 1 GIAF COC(=O)C[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587809065 QBOHREMZRLWHLE-FNFWKMNBSA-N 384.289 4.071 0 1 GIAF CCSc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587842009 CXNWFFGIOVADTG-RFAUZJTJSA-N 382.302 4.114 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cl)cc1O 587867585 AAXYYOHYNVMIHS-UHFFFAOYSA-N 397.740 4.020 0 1 GIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587962884 KNOTZUYTGLGVRR-JGVFFNPUSA-N 391.187 4.382 0 1 GIAF CC(=O)c1cc(-c2ccc(C(F)(F)F)cn2)c2cc(N3CCOCC3)ccn12 653805039 WQCNFRHMJJKMIG-UHFFFAOYSA-N 389.377 4.059 0 1 GIAF CCO/C=C\[C@]1(C(F)(F)F)NC2(CC2)Cc2ccc(Br)cc21 961319388 IDRRCTPDTIDXGK-LZNQSLFOSA-N 376.216 4.435 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](CC1CCN(Cc3ncccc3C)CC1)C2 1205799847 GMORXUFYAMIBNR-IBGZPJMESA-N 394.515 4.065 0 1 GIAF CCC1CCC(CC(=O)OC)(NC(=O)/C=C/C=C/c2ccc3c(c2)OCO3)CC1 1857610688 BJMWQKJCUAGTOX-YDFGWWAZSA-N 399.487 4.003 0 1 GIAF CC(=O)N(C)[C@@H]1C=C2C=C[C@@H]3[C@H](CC[C@]45C(=O)O[C@H](C)[C@@H]4CC[C@@H]35)[C@@]2(C)CC1 2356418231 CLPGEJYIOBNCEC-NTTOYSMBSA-N 383.532 4.114 0 1 GIAF CC(=O)O[C@H](C=C(CCC=C(C)C)C(=O)O)C[C@H](C)[C@H]1C=C[C@](C)(O)CC1 2356786913 SXVJMKQNUYLIKJ-UZSDIVCKSA-N 378.509 4.419 0 1 GIAF CN(C)[C@@H](CN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccccc1 22039853 SYENVULNBJTJKD-GOTSBHOMSA-N 391.490 4.398 0 3 GIAF COCc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)ccc1Br 199270585 JUDOVYVEFSZFDX-ZDUSSCGKSA-N 399.329 4.041 0 3 GIAF CC(C)(CO)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)cc1F 775916 TVHHQWCSLAFAPL-UHFFFAOYSA-N 382.863 4.180 0 1 GIAF CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F 4211881 DOJBUIVCLZKHJK-RDJZCZTQSA-N 381.234 4.313 0 1 GIAF O=C(Nc1ccc2c(C(=O)c3ccccc3)c(O)n(O)c2c1)NC1CCCCC1 18178204 DVTBQQZLFKETBF-UHFFFAOYSA-N 393.443 4.269 0 1 GIAF Fc1ccc(Br)cc1-c1nc(Nc2ccncc2)c2nccnc2n1 28822249 XRBXEVWNPYPJJB-UHFFFAOYSA-N 397.211 4.127 0 1 GIAF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1ccc(Cl)cc1Cl 40940252 YNFRSERAEYQZQT-UHFFFAOYSA-N 395.267 4.003 0 1 GIAF Cc1cc(-c2ccc(Cl)c(C(=O)NC[C@@]3(O)CCCC(C)(C)C3)c2)n[nH]1 43076653 GRDWZXDXIAWERW-HXUWFJFHSA-N 375.900 4.100 0 1 GIAF O=C(Nc1cccc(F)c1)N[C@@H]1CCN(c2ccnc3cc(Cl)ccc23)C1 45202580 LWCDEHROOMVZIN-MRXNPFEDSA-N 384.842 4.428 0 1 GIAF COCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccc(C)c(C)c2)cs1 82192641 YHWMFFJNCIOQDL-KRWDZBQOSA-N 375.538 4.016 0 1 GIAF CC[C@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(C)c(OC)nc3C)ccnc21 84709654 QXKVTZILFXRQNX-GOSISDBHSA-N 378.476 4.148 0 1 GIAF Cc1csc(-c2nc(CN3CCOC3=O)[nH]c2-c2ccc3ncsc3c2)n1 95558440 GPJWZJBHICKXBV-UHFFFAOYSA-N 397.485 4.071 0 1 GIAF O=C(NCCCNc1nc(Nc2cccc(F)c2)ncc1CC1CC1)C1CCC1 95560143 HYUKSMLKXIVLKF-UHFFFAOYSA-N 397.498 4.030 0 1 GIAF Cc1cc2c(NC(=O)CC(=O)O)cccc2n1Cc1ccc(O)c(C(C)C)c1 103239831 RANBHGYNNSPWIV-UHFFFAOYSA-N 380.444 4.240 0 1 GIAF COc1ccc([C@H](C)Nc2ncnc3c2CN(c2ccc(C)cn2)CC3)cc1F 114997490 DQEIWRKPVLQBJW-HNNXBMFYSA-N 393.466 4.064 0 1 GIAF Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3Cc3ccccc3)cc12 148292390 TWVWJJPYBBANQW-UHFFFAOYSA-N 380.455 4.043 0 1 GIAF Cc1nc2cc(-n3ncc(C(=O)c4cc5c(C(C)C)cccc5[nH]4)c3N)ccc2[nH]1 165431299 ZHKJWOIKWGAMMG-UHFFFAOYSA-N 398.470 4.475 0 1 GIAF Brc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cn1 587006602 IYUHIUGOIPCZBY-UHFFFAOYSA-N 393.042 4.026 0 1 GIAF Cc1nc(Br)sc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587011768 RDLKLYRJVYRVRF-UHFFFAOYSA-N 378.230 4.082 0 1 GIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cnc4ccccc4c3[nH]2)cs1 587014778 YVBLMUJKFHSOJA-UHFFFAOYSA-N 381.461 4.259 0 1 GIAF Cc1cncc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587026940 NSBOSVWGLVOAIR-SZMVWBNQSA-N 380.517 4.403 0 1 GIAF Nc1ccc(-c2ccc3nc([C@@H](N)Cc4ccccc4Cl)[nH]c3c2)cc1N 587057953 ARQXDIDIKAVWIK-SFHVURJKSA-N 377.879 4.290 0 1 GIAF COc1cc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2cn1 587138764 UWWSTOGZXFXOLZ-UHFFFAOYSA-N 381.338 4.277 0 1 GIAF CCCc1nc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)nn1-c1ccccc1F 587155873 IOONYKDYHWVQSI-UHFFFAOYSA-N 390.344 4.316 0 1 GIAF CCCc1nc(-c2nc3cc(C(=O)OCC)ccc3[nH]2)nn1-c1ccccc1F 587157089 VRSJZWKBMJAMRX-UHFFFAOYSA-N 393.422 4.079 0 1 GIAF O=C(/C=C/c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)Nc1ccccc1 587244204 MENCWAGAYNUKQJ-VOTSOKGWSA-N 382.292 4.264 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)cccc1N(C)C)O2 587378299 UCVTXIMYXUDLDE-MRXNPFEDSA-N 375.266 4.112 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(N)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587418873 DMTWMHUDBPCPKY-BTDLBPIBSA-N 383.753 4.438 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Br)ccn1)CC2=O 587456659 ACBCPZZIRIPLDQ-SFHVURJKSA-N 376.250 4.383 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)C(C)(C)C(=O)N3)CC2=O 587486745 TTXGEHDCCNOFSR-QHCPKHFHSA-N 379.456 4.455 0 1 GIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)cc1O 587547971 VPLSGQQLBWBTEC-RXVVDRJESA-N 398.798 4.463 0 1 GIAF CN(C)Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587573225 SEGBZHASJWEUHP-NZQKXSOJSA-N 375.424 4.157 0 1 GIAF COCc1ccc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587595008 QIFDZSROKCVBFH-OFNKIYASSA-N 392.407 4.250 0 1 GIAF CCCCC[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597495 QROSPHGMLNILRI-PGRDOPGGSA-N 384.428 4.236 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C[C@H]2N=O 587742947 VDPMDMIPTADXIE-YZOQQBSESA-N 375.241 4.057 0 1 GIAF CC(C)Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587774761 XPLXPHMEIXCWRQ-ADLMAVQZSA-N 379.273 4.394 0 1 GIAF CCOCc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587852567 HIIIUBNDIYNUHW-FVMDXXJSSA-N 385.302 4.205 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCOc1ccccc1 587867524 HWYIOTILYOWRRQ-UHFFFAOYSA-N 391.349 4.082 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(F)cc1F 587870993 MYMVNZVJYUERTI-LBPRGKRZSA-N 390.361 4.474 0 1 GIAF CNC(=O)c1ccc(Oc2cccc(NC(=S)Nc3ccc(F)cc3)c2)nc1 653793260 POHOBOYVBFZGLR-UHFFFAOYSA-N 396.447 4.182 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1cnn(-c3ccccc3C)c1)N(C)[C@H](C)C2 962624825 LCVTZVNIMKQBRX-MWTRTKDXSA-N 377.488 4.164 0 1 GIAF CSc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1 962708895 LBNFBNXYQSDLJF-WMZOPIPTSA-N 399.409 4.429 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccc(-c3ccncc3)cc2)N1)C(F)(F)F 962715056 SWSPEUHSDHLMKI-VQTJNVASSA-N 382.385 4.484 0 1 GIAF Cc1ccc([C@@]2(c3ccc(CC(=O)O)n3C)NCCc3c2sc(C)c3C)cc1 963019605 HTHJJBDMGNMYMU-QHCPKHFHSA-N 394.540 4.077 0 1 GIAF CC[C@@]1(c2ccccc2N)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963184080 PXJBVDTYFGVTIU-WMZOPIPTSA-N 398.812 4.194 0 1 GIAF Cc1ccc([C@@]2(C)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1N 963186675 LAOLSDIMTBXWIX-SJLPKXTDSA-N 398.812 4.112 0 1 GIAF O[C@H]1CC[C@H](Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1 1772598418 YSWUHTVVPRCWJG-CTYIDZIISA-N 392.381 4.010 0 1 GIAF CC(C)=CCC[C@](C)(O)[C@@H](O)CCC(C)=CCc1cc(C(=O)O)ccc1O 2356484858 JXAFVRIAOQJYNY-UNMCSNQZSA-N 376.493 4.218 0 1 GIAF COc1cc(O)c([C@H](CCN2CCCCC2)c2ccc(N(C)C)cc2)c(OC)c1 13661554 DWSRMWUPMULWMS-OAQYLSRUSA-N 398.547 4.483 0 3 GIAF CCCCN1C(=O)C[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3CC[C@]2(C)C1=O 5783576 IDRPPAXCLPSHQJ-BLRYILKCSA-N 397.515 4.233 0 1 GIAF COc1cccc(C(=O)[C@@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)c1 11938432 LQKDLUCAWZDYBT-LJQANCHMSA-N 390.483 4.347 0 1 GIAF CC1(C)C(=O)C=C[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](c5ccoc5)C[C@H]5O[C@]54[C@H]3[C@H](O)C[C@@H]12 13298246 KYAONONRIXUXQW-YUJGPBMGSA-N 396.527 4.489 0 1 GIAF in-vitro CCOC(=O)[C@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2cscn2)C1 14963872 HOCZYJUYJLDCTN-VMLCMGRWSA-N 384.501 4.032 0 1 GIAF O=C(CCc1ccccc1)Nc1nc2ccccc2n2nc(-c3ccco3)nc12 29123913 GWCXAWLJUDTYNC-UHFFFAOYSA-N 383.411 4.109 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4CCCC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820748 ZHCAAZIHTDCFJX-NGPAMCMXSA-N 392.580 4.478 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC=C[C@H]1C[C@H]3O 33820820 AIBUGMOPZPLNNP-QLEQUTGBSA-N 390.564 4.254 0 1 GIAF CONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOC)cc3)c(F)c2)cc1 36476184 BSPLICRWQBKOHH-UHFFFAOYSA-N 392.434 4.112 0 1 GIAF Cc1nc2c3c(c(C(=O)N(C)C)cc2n1C)CC[C@@H](c1ccc(Cl)cc1)O3 49088959 SKIZXIMPIIIYJI-SFHVURJKSA-N 383.879 4.303 0 1 GIAF CC(C)Cn1c(Nc2ccc(Br)cc2)nc2cc(C(N)=O)ccc21 82191651 XLNNOKKRNFDTBO-UHFFFAOYSA-N 387.281 4.297 0 1 GIAF O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc3cc[nH]c3c2)cc1 95584108 OOPULMNMKYQSBE-UHFFFAOYSA-N 378.453 4.128 0 1 GIAF Cc1cc(=O)oc2cc(Oc3ccc(NC(=O)Cc4ccccc4)cn3)ccc12 98082395 AFZPVRUYEZJVPW-UHFFFAOYSA-N 386.407 4.470 0 1 GIAF O=C(Nc1ccc(-c2ccccc2)cc1)C1=C(O)[C@@H](CCc2ccccc2)NC1=O 101142368 PINZJYQEHNHEHX-OAQYLSRUSA-N 398.462 4.235 0 1 GIAF C[C@@]12CC[C@]3(OCc4cccc(Br)c4)C[C@@H]1CCC[C@@]2(CO)O3 101221538 DFRVMDQTYMURIH-WZGPROSRSA-N 381.310 4.414 0 1 GIAF Cc1cc(Cl)ccc1OCC(=O)O[C@@H](C)P1(=O)OCC(C)(C)CO1 103174178 AYROFJQHKOOYBK-GFCCVEGCSA-N 376.773 4.183 0 1 GIAF CCc1ccc([C@@H]2C[C@H](NC(=O)C(C)(C)C)CN(C(=O)C3CCCC3)C2)cc1 113934371 HIPFDKHTVIPUJW-RTWAWAEBSA-N 384.564 4.286 0 1 GIAF O=C1CCn2c(nc3ccccc32)[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 138106111 XRWGYQMLQJIEFL-JOCHJYFZSA-N 381.435 4.398 0 1 GIAF O=C(C[C@H](C(=O)NC1CCCCC1)N1CCCCC1)c1cccc2c1CCCC2 169333846 VTLQZOSPDHVWFM-HSZRJFAPSA-N 396.575 4.442 0 1 GIAF C[C@@H]1CCCN(C(=O)CSC[C@@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1 198917987 GOCKZFNRKPOAGC-IMFGXOCKSA-N 395.012 4.367 0 1 GIAF in-vivo CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)CCCCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 253679891 VSVUJKJXMNJRFE-KJJMTIBFSA-N 398.547 4.479 0 1 GIAF COc1cc(NC(=O)[C@@H](C)n2ncc3c(=O)oc4ccccc4c32)ccc1Cl 299823645 RPUUERRTFZTESM-LLVKDONJSA-N 397.818 4.004 0 1 GIAF CC1=C(c2ccc3nc(-c4cccc(-c5ccc(O)cc5)c4)[nH]c3c2)NNC(=O)C1 586898248 NPHPKGWMYRMZRM-UHFFFAOYSA-N 396.450 4.358 0 1 GIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4ccnc(C)c4[nH]3)cc2)c1C 586947497 PJINURJYTNOLJA-UHFFFAOYSA-N 392.484 4.351 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(C(F)(F)F)cnc2[nH]1 587078836 BZSXGZGFOHEBSI-LBPRGKRZSA-N 379.773 4.354 0 1 GIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2c(Br)cnc(Cl)c2[nH]1 587088167 JTZBSNNGZHINIM-LURJTMIESA-N 377.620 4.124 0 1 GIAF CCOC(=O)[C@@H]1C(=O)Cc2nc3c(C)ccc4c3c(c2[C@H]1C)-c1ccccc1C4=O 587096339 CXUDEGTWMDCKMF-XCLFUZPHSA-N 399.446 4.163 0 1 GIAF COC(=O)c1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587163666 QQHLTMSLLQPDQP-UHFFFAOYSA-N 389.386 4.408 0 1 GIAF CC(=O)N[C@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1ccc(C)cc1 587205996 IMSYEVCWCVMOGN-OAHLLOKOSA-N 377.366 4.190 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(NC3=NCCCS3)cc1)O2 587415965 ZNKCGXLCEOGLAQ-OAQYLSRUSA-N 381.501 4.363 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(O)ccc1O 587859298 VFWRLHRPYAFAQW-UHFFFAOYSA-N 393.226 4.355 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc(CC3CCC(C)(C)CC3)[nH]c2c1 587961489 UEKHAXQGTGVNLB-UHFFFAOYSA-N 377.554 4.352 0 1 GIAF COc1ccc2c(c1OC)[C@H](c1c(C)nn(CC(C)C)c1Cl)N(C)[C@H](C)C2 962623842 KYQZNBORKRSBMT-YJYMSZOUSA-N 391.943 4.484 0 1 GIAF COc1ncc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1F 962638272 KWRKPNRZDBYJAS-NZQKXSOJSA-N 389.474 4.066 0 1 GIAF C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@H](C)[C@]2(NCCc3c(C(=O)O)cccc32)[C@H]1C 963131868 PATYOCSBCPRNRY-JYHPFIIYSA-N 392.543 4.291 0 1 GIAF COc1ccc(F)c([C@H](C)NC(=O)c2ccc(-c3c[nH]nc3C)cc2OC)c1 1772610550 XYYBJOIYCJYCLA-LBPRGKRZSA-N 383.423 4.032 0 1 GIAF Cc1ccc2nc(CO[C@@H]3CN(Cc4cnc5ccccc5c4)C[C@H]3F)[nH]c2c1 2356299305 FHIQSCTZIXOCMZ-XMSQKQJNSA-N 390.462 4.159 0 1 GIAF CCCCCC[C@H](C)C=C(C)C=CC(=O)O[C@H]1C=CC(=O)O[C@@H]1C=CC(=O)O 2356456162 SZTWZPUAGRSHIP-UHOSZYNNSA-N 390.476 4.130 0 1 GIAF COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 767814 VTHSYEYBJSARJY-CTNGQTDRSA-N 392.480 4.165 0 1 GIAF O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccccc1 4053280 ZPZZQMICCIVEQF-GGAORHGYSA-N 388.442 4.276 0 1 GIAF O=S(=O)(c1ccccc1)n1ccc([C@@H](O)c2ccc(Cl)cc2Cl)c1 6581638 MEHZGLFMVPOEDY-QGZVFWFLSA-N 382.268 4.114 0 1 GIAF CCCn1c(-c2ccc(F)cc2)nc2c(NCCCN(CC)CC)nc(C)nc21 7991771 ZPXOOMPWEUXCRD-UHFFFAOYSA-N 398.530 4.495 0 1 GIAF Oc1nc2c(c3nc(-c4ccc(Cl)cc4)cn13)CN(Cc1ccccc1)CC2 13492016 YQCYTBDSGIYWOV-UHFFFAOYSA-N 390.874 4.314 0 1 GIAF CC[C@@H](C)N(C[C@@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC 27706942 YNGZJSALRCLELM-YAJHFMINSA-N 380.960 4.091 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)c5ccc[nH]5)CC[C@H]4[C@H]3CC[C@@H]12 34315799 ADCZPIWAYHWQLK-PYAURBMTSA-N 380.532 4.453 0 1 GIAF C=C/C=C\[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@H]1OC(=O)C=C[C@@H]1C 38289377 CODXOZUBSINYKM-LSHFNGLVSA-N 390.564 4.449 0 1 GIAF COc1ccc(C(=O)Nc2ccccc2-c2nc3ncccc3o2)cc1OC 40405299 AYIAGTDESMAUEG-UHFFFAOYSA-N 375.384 4.159 0 1 GIAF O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1OCCc1cc2ccccc2o1 45348388 WWCNZHFOUQGWKB-BQYQJAHWSA-N 388.423 4.397 0 1 GIAF CCOc1cccc(C2(N3CCN(c4ccccc4N)CC3)[C@H]3CC(C)C[C@@H]32)c1 101685162 QJXIPVWSPUFINC-QYYKVDRLSA-N 391.559 4.361 0 1 GIAF Cc1cc(N)nc(C)c1CNC(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 114078475 JRMWHJBSUIUNBW-QGZVFWFLSA-N 376.504 4.238 0 1 GIAF NC(=O)c1ccc2[nH]c(-c3ccc(C(=O)c4cnc5ccccc5c4)cc3)nc2c1 116021877 QKMFGUVQYOFBEZ-UHFFFAOYSA-N 392.418 4.108 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)c5ccc[nH]5)CC[C@@H]4[C@@H]3CC[C@@H]12 169321546 ADCZPIWAYHWQLK-CBCLOKDPSA-N 380.532 4.453 0 1 GIAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2c(c1)CCCO2 202121307 QMOOVJMVTNKTMT-UHFFFAOYSA-N 377.444 4.165 0 1 GIAF CC[C@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 299875982 DWBULRIHHPDXHE-RXYZOABWSA-N 389.499 4.004 0 1 GIAF CCCCC/C=C\C[C@H]1O[C@@H]1C/C=C\C/C=C\CCCC(=O)OC(CO)CO 535385369 OKCHDUJPLFYNPT-VIWNYTFUSA-N 394.552 4.240 0 1 GIAF in-vitro Cc1cc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2cc1F 586939246 SFXLKFDGGCRAIW-QGZVFWFLSA-N 395.887 4.339 0 1 GIAF COc1nccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587002192 UYNKTMHOJMRMLL-UHFFFAOYSA-N 384.233 4.461 0 1 GIAF Oc1ccc2scc(-c3nc4[nH]c(O)nc(NCc5ccccc5)c-4n3)c2c1 587032995 OVWBKPXKIPIHFT-UHFFFAOYSA-N 389.440 4.210 0 1 GIAF O=C(/C=C/c1nc2ccc(F)c(Br)c2[nH]1)Nc1ccc(F)cc1 587167367 RPHZNGDLPFYDSP-BQYQJAHWSA-N 378.176 4.256 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)c(F)cc3[nH]2)CCC(=O)CC1 587234607 RMJRRORUXPHFKU-UHFFFAOYSA-N 381.835 4.219 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H](NC(=O)OCc3ccccc3)C1)O2 587388317 AEJSUXYVMKHLBV-SBUREZEXSA-N 394.471 4.150 0 1 GIAF COc1ccc([C@]2(CCCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402324 BPCKPQSLIOCWQW-QFIPXVFZSA-N 383.444 4.092 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](Cc1cc3ccccc3o1)(C(=O)O)CC2=O 587476615 DAJAQRNGGIHSTC-JOCHJYFZSA-N 380.396 4.122 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(Cl)nc12 587552129 NRXMJUBEDXDPII-UTKZUKDTSA-N 379.799 4.244 0 1 GIAF CC1=C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(N)cc2O1 587576505 HDKRXTQSRYWAIF-NZQKXSOJSA-N 387.391 4.128 0 1 GIAF COc1cc(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)c(OC)cc1Cl 587639197 XNZBIZZLESBEJZ-UHFFFAOYSA-N 388.807 4.097 0 1 GIAF CNc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1N 587743566 OWEOALJTKCTENN-XTZNXHDOSA-N 378.289 4.010 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-n3ccnc3)cc2)N1 587754811 MVSXEGIJOMXQMX-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cncnc2)N1 587777758 JMBGQLNBIPKHON-RBZFPXEDSA-N 398.279 4.204 0 1 GIAF CCC[C@]1([C@H](C)C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587792710 CEVJHMZDZVQKIR-SEDUGSJDSA-N 386.305 4.317 0 1 GIAF CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1CO 587801710 NBYYWMCUTRVHFO-JEOXALJRSA-N 394.284 4.103 0 1 GIAF COc1ccc(OC)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587806956 KXJHNPBGCWDLKZ-JEOXALJRSA-N 394.284 4.403 0 1 GIAF COc1cc2c(cc1OC)[C@@](C)(c1occc1Br)N(C)[C@H](C)C2 962620446 HWQWUBVCPDDFJV-ZMZPIMSZSA-N 380.282 4.199 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(c1cc3ccccc3nc1O)N(C)[C@H](C)C2 962633615 KHODSJSGADNVDY-FATZIPQQSA-N 378.472 4.098 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@](c2ccccc2)(C(F)(F)Cl)N1)C(F)(F)F 962731415 RNVYHZJUSFOEIN-GDBMZVCRSA-N 389.751 4.408 0 1 GIAF COc1cccc(Cl)c1[C@@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962764313 LMHNACOQDBZDOZ-KSSFIOAISA-N 383.797 4.258 0 1 GIAF CCOC(=O)c1ccc([C@@]2(c3cccs3)NCCc3ccc(O)cc32)s1 963327829 AEMPKNGAEXKKIM-HXUWFJFHSA-N 385.510 4.130 0 1 GIAF COc1cccc(=Nc2cc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3cn2)[nH]1 1857759374 DEYYXJYYQVAQCH-UHFFFAOYSA-N 385.349 4.213 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@]2(C)C[C@@H](OC(C)=O)C[C@H]32)C1 2356524504 GVPGOBSHOOZRBN-JGANGFLVSA-N 390.520 4.072 0 1 GIAF CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)CCCc1cn(C)c2ccccc12 2356660373 MAROOBAMUHELPM-IFMALSPDSA-N 381.564 4.224 0 1 GIAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]3CCC4=C(C(=O)NC4=O)[C@]3(C)[C@@H](O)C[C@@H]12 2356847115 OTTQUFPARHXAJM-XJAOYTOLSA-N 399.575 4.369 0 1 GIAF CCOC(=O)C1=C[C@@H](CC)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 34131393 HNRRQNMIPXJTBN-NQIIRXRSSA-N 399.512 4.009 0 3 GIAF CC[C@H](CO)Oc1cc(NCc2ccccc2OC)c2ncn(C(C)C)c2c1 61948969 NWOBJDDCRODNLZ-QGZVFWFLSA-N 383.492 4.388 0 3 GIAF CC[C@@H](CO)Oc1cc(NC(=O)c2cccc(F)c2)c2ncn(C(C)C)c2c1 61949058 BEBZRPMBQIUXAP-INIZCTEOSA-N 385.439 4.158 0 3 GIAF Clc1cccc(-c2nc(N3CCOCC3)nc3c2COc2ccccc2-3)c1 6800245 PWQUYVSFPFNFRM-UHFFFAOYSA-N 379.847 4.193 0 1 GIAF CCn1cc(CN2Cc3ccccc3O[C@H](c3ccccc3OC)C2)c(C)n1 12020729 VBFYYJSKQTUUEY-QHCPKHFHSA-N 377.488 4.356 0 1 GIAF Clc1cccc2c1C[C@H]2CCCN1CCN(c2cccc3c2OCCO3)CC1 13743684 FEVCJLJTGFXWDA-QGZVFWFLSA-N 398.934 4.353 0 1 GIAF Cc1c(O)c(Cl)c(C)c2c1OC(=O)c1c(C)c(Cl)c(O)c(C=O)c1O2 14636962 PNQBQYZRSVAYKB-UHFFFAOYSA-N 383.183 4.467 0 1 GIAF biogenic CC[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F 14967376 UAYIYIYEAZMBLP-MRVPVSSYSA-N 380.288 4.087 0 1 GIAF O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)c3ccc4c(c3)CCC4)[C@H]2C1 26147543 RZPKRKCFVWBKBT-SSDQYPNZSA-N 396.527 4.353 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@H]3C=CC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 40164237 DJVAMCYXFUWMLS-QPBRPKGDSA-N 386.532 4.382 0 1 GIAF endogenous,in-man NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCCc1ccccc1 45193612 DUQFVKMUODTNTG-UHFFFAOYSA-N 383.495 4.110 0 1 GIAF Cc1ccccc1OCCNC[C@H]1COC(c2ccccc2)(c2ccccc2)O1 49046226 GTSXERKGHGFELV-QHCPKHFHSA-N 389.495 4.280 0 1 GIAF COC(=O)C(C)(C)[C@H](c1ccc(Nc2ccc3c(c2)OCO3)cc1)n1ccnc1 71315820 BKFCTFAONAURHH-FQEVSTJZSA-N 393.443 4.144 0 1 GIAF COc1cc(Nc2cc3c(cn2)ncn3Cc2ccccc2)cc(OC)c1OC 82082549 WYFGIHJBKYBKDP-UHFFFAOYSA-N 390.443 4.249 0 1 GIAF COc1ccccc1N1CCN(Cc2cc(CN(C)C)c3cccccc2-3)CC1 95559491 HRHSURDPAJFNRA-UHFFFAOYSA-N 389.543 4.184 0 1 GIAF CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCCCC1)N2 95591984 WPCFQWDESUJIEX-WMQCIHAUSA-N 392.565 4.217 0 1 GIAF C/C=C/c1ccc([C@H]2[C@H](CO)N(c3nc(CC)cs3)[C@H]2CNC(C)C)cc1 95895998 JGSPVHKLUFJULS-LQTOCWPSSA-N 385.577 4.070 0 1 GIAF Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC[C@H](C)C[C@@H]4C3=O)c2)c1C 100839298 ZOYAADJVAJUVGJ-GKCIPKSASA-N 390.483 4.481 0 1 GIAF COc1ccc(CCN(C)C(=O)C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cc1OC 102543555 ZYCKUSDSTLBXBZ-UOBYYGQQSA-N 391.939 4.283 0 1 GIAF Brc1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 114335344 RKFCSIVIFMVTFQ-GOSISDBHSA-N 385.309 4.402 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4C=C(O)[C@@H]5C[C@@H]5[C@]4(C)[C@@H]3CC[C@]12C 169323150 LNBRDPIYZGBLLR-XJNYHQGZSA-N 384.564 4.466 0 1 GIAF CCOC(=O)[C@@H]1CCc2nc3ccc(O)c4c3c(c2[C@@H]1C)-c1ccccc1C4=O 586989216 BNLZAYJIEKBGOJ-CHWSQXEVSA-N 387.435 4.381 0 1 GIAF CCOC(=O)[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)[C@H](C)C1 586990152 ANFSJHBFPUKQRD-OLZOCXBDSA-N 387.435 4.381 0 1 GIAF CCCn1cnc2cc(-c3nc4ccc(CO)cc4[nH]3)cc(Br)c21 587004438 SVPFTXFUWDEPBM-UHFFFAOYSA-N 385.265 4.244 0 1 GIAF CCOc1ccccc1[C@@](N)(c1nc2c(C)cnc(Cl)c2[nH]1)C(F)(F)F 587093838 YJTOCTQACFMSIE-MRXNPFEDSA-N 384.789 4.083 0 1 GIAF O=C1c2ccccc2-c2cc(-c3cccc(-n4cnnn4)c3)nc3cccc1c23 587105319 YHDSFUDNLITOTF-UHFFFAOYSA-N 375.391 4.089 0 1 GIAF Cc1c(Br)ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c12 587228394 KORLKDNXAJCCFB-UHFFFAOYSA-N 388.265 4.103 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3c(C)noc3C)cc1)O2 587394407 GLPIGBBWDMTRGM-OAQYLSRUSA-N 378.428 4.468 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2ccccc2O[C@H]1c1ccccc1 587414500 VQEKCDGLJFYMNW-ZEQRLZLVSA-N 385.419 4.298 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(Br)cc(F)c(F)c1F)[C@@H](C2)C3=O 587424752 UEHFGDZXINDRAI-WNWIJWBNSA-N 399.162 4.364 0 1 GIAF O=C(Cc1ccc(F)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655728 PVSFCPZWSSKQEP-UHFFFAOYSA-N 394.352 4.364 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CN(C(=O)OC(C)(C)C)C2)N1 587760233 JVJURQNWBGICOQ-QLJPJBMISA-N 399.304 4.030 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCN2)N[C@H](C)Cc2ccc(F)c(Br)c21 587789889 BULCYCAFUXCEDS-NSPYISDASA-N 391.284 4.190 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)OCCCO3)N1 587833310 FTGAUPSLTWKILE-WYRIXSBYSA-N 392.268 4.373 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3nsnc23)N1 587854483 BZWXTYYMZSGGQY-VPTHRUTESA-N 378.270 4.217 0 1 GIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Br)c(F)cc3[nH]2)cc1 587936326 KPKPLHPKOYNYRD-JDNHERCYSA-N 379.229 4.310 0 1 GIAF Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1Cl 653831376 HTQITRXKQVAIKX-UHFFFAOYSA-N 386.864 4.032 0 1 GIAF O=C(O)CCOc1cccc([C@@H]2c3ccsc3CCN2Cc2ccco2)c1 962706286 LVDGUYVLRCQQMI-OAQYLSRUSA-N 383.469 4.342 0 1 GIAF COc1cccc2cc3c(nc12)[C@@H](Cc1c(Cl)nc(C)nc1Cl)NCC3 963051384 FFCBZLVMYOYNIS-CQSZACIVSA-N 389.286 4.078 0 1 GIAF CC[C@]1(c2ccncc2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963192016 XULZDDLCDFHCKE-DOTOQJQBSA-N 384.785 4.006 0 1 GIAF O=C(c1cn(-c2ccc(F)cc2)nn1)c1c(-c2ccccc2)nc2sccn12 1857565092 JFBGMPPSYUPGMS-UHFFFAOYSA-N 389.415 4.014 0 1 GIAF COC1(CCN2CC3(CCC(c4cccs4)(N(C)C)CC3)CC2=O)CCC1 1857565436 BOHJKGADBUZLAU-UHFFFAOYSA-N 390.593 4.257 0 1 GIAF Brc1cccc(N=c2[nH]c(=NCc3ccco3)c3ccccc3[nH]2)c1 1857651507 COFMFANODKSCFO-UHFFFAOYSA-N 395.260 4.185 0 1 GIAF Cc1ccccc1-n1c(Cn2cc(-c3ccccc3)nn2)nc2ccccc2c1=O 1857756126 UEJYMGXCPGRZMT-UHFFFAOYSA-N 393.450 4.001 0 1 GIAF Cc1nnc2n1[C@@H]1SC(Br)=C[C@H]1C(c1ccccc1Cl)=NC2 11616524 QOPLLZDCYUZSDV-ZUZCIYMTSA-N 395.713 4.341 0 1 GIAF in-man CC(C)c1ccc(CN2CCC[C@]3(CCN(Cc4cccnc4)C3)C2=O)cc1 12307651 RHFLZPXLTUNCHC-XMMPIXPASA-N 377.532 4.220 0 1 GIAF O=C(CCCN1CCN(c2nsc3ccccc23)CC1)c1ccc(F)cc1 27194185 ZTJFXMFDIVEETC-UHFFFAOYSA-N 383.492 4.221 0 1 GIAF O[C@@H]1c2ccc(OCc3ccc4ccccc4n3)cc2OC[C@@H]1Cc1cccnc1 27989490 VKBRTGJMTHOBAG-DFBJGRDBSA-N 398.462 4.494 0 1 GIAF CCC[C@H](C)Nc1nc(C)cc(N[C@@H](CC(C)C)C(=O)NC2CCCC2)n1 45192742 IWKCNHLLBOGTRX-YJBOKZPZSA-N 375.561 4.271 0 1 GIAF Cn1cc([C@@H]2CCN([C@H]3Cc4cccc5cccc3c45)C[C@@H]2O)c2cccnc21 58562951 VOHINDSZXQXORW-TZYHBYERSA-N 383.495 4.174 0 1 GIAF O=S(=O)(Oc1ccc(Cn2ccnc2)cc1)c1ccc(-c2ccccc2)cc1 58576182 LEERWRJVJRNYSA-UHFFFAOYSA-N 390.464 4.366 0 1 GIAF COc1ccc([C@@H]2c3c(ccc4ccccc34)O[C@@H]3N=C(S)NC(=N)[C@@H]32)cc1 64446969 UXKXKYXXXUUSRZ-LMNJBCLMSA-N 389.480 4.181 0 1 GIAF COC(=O)[C@]1(Cc2cccc(C(F)(F)F)c2)CC(=O)O[C@@H]1c1ccccc1 73158040 AUKKAGUDOGNTCE-IEBWSBKVSA-N 378.346 4.096 0 1 GIAF Oc1ccc(C2=C3Cc4cc(CNC5CCC(O)CC5)ccc4[C@@H]3N=N2)cc1 89469167 LGXIORJYJUZGEW-WFHLNLCJSA-N 375.472 4.260 0 1 GIAF COc1cccc(-c2ccc([C@H]3[C@H]4CN(Cc5cccc(F)c5)C[C@@H]3N4)cc2)c1 100107025 DXIQKAGUCHZAAR-LNWKWYTESA-N 388.486 4.441 0 1 GIAF O=c1oc2cc(OS(=O)(=O)c3ccccc3)ccc2c2c1CCCCCC2 103230011 ZAZYKQSQQKWSPG-UHFFFAOYSA-N 384.453 4.220 0 1 GIAF COc1ccc(CNc2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 140124300 WIRIZHQXZNPDPQ-UHFFFAOYSA-N 397.482 4.249 0 1 GIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(C)cc2)nc1-c1ccccc1 203324633 JHKGAAUBVLKJOB-IBGZPJMESA-N 390.439 4.011 0 1 GIAF CCN(CC)S(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1 224729107 HRHBSLUDKOPHEC-UHFFFAOYSA-N 399.491 4.167 0 1 GIAF CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4cc(F)c(C)cc43)CC2)CC1 261147781 OFKIADWOPUKZHM-VVOJOOEHSA-N 390.499 4.417 0 1 GIAF Cc1cc(-c2cc(F)c3nnc([C@@H](C)c4ccc5ncc(O)cc5c4)n3c2)on1 299854974 ARSHQOCGNNUKJD-LBPRGKRZSA-N 389.390 4.237 0 1 GIAF C[C@H]1CCCCN1C(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987408 ALDZTQQQRGTWRB-AWEZNQCLSA-N 386.451 4.095 0 1 GIAF O=C(NCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)c1cscn1 587028265 OHXPBUGGCSCVAL-UHFFFAOYSA-N 391.481 4.226 0 1 GIAF CCCc1nc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)nn1-c1ccccc1F 587155951 JOUKAFYAJVGLMS-UHFFFAOYSA-N 393.319 4.459 0 1 GIAF CC[C@@H](c1nc2cc(C)cc(F)c2[nH]1)n1cc(I)c(C)n1 587186134 SCMWPLPCNIWIJO-ZDUSSCGKSA-N 398.223 4.119 0 1 GIAF O=C(Cc1ccccc1)NCCc1nc2ccc(SC(F)(F)F)cc2[nH]1 587228969 WFDLLTFKNKOSEN-UHFFFAOYSA-N 379.407 4.076 0 1 GIAF Nc1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333788 IDTCUOSETIPIOL-GGAORHGYSA-N 391.398 4.150 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1c(F)cc(F)cc1F)O2 587382449 RJOYUXORVVROEN-OAQYLSRUSA-N 384.357 4.299 0 1 GIAF COC(=O)C[C@@]1(c2cccc3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587397842 BVRCPIHNTJENEK-HSZRJFAPSA-N 375.424 4.154 0 1 GIAF COc1cc(Br)cnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498043 NPMCOUMOQIQJOM-QGZVFWFLSA-N 388.261 4.438 0 1 GIAF O=C(O)c1cc(Cl)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587549612 RWVVGYVIYWGVRU-XLIONFOSSA-N 396.782 4.447 0 1 GIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1F 587558109 PYCMBWCGPBNBRH-GHTZIAJQSA-N 384.334 4.382 0 1 GIAF CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(C)C)n1 587579261 CYWSOWMJKIAVBB-AVRDEDQJSA-N 378.428 4.435 0 1 GIAF COC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587614349 RZBMRAJOGBCKQN-UTKZUKDTSA-N 396.420 4.117 0 1 GIAF O=C(c1ccc(F)c(F)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655459 HYPQUUBXVXJKPB-UHFFFAOYSA-N 398.315 4.308 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccncc2)(C(F)(F)F)N1 587708646 CRSDHFJJQXJRIW-BJOHPYRUSA-N 389.190 4.323 0 1 GIAF CC(=O)c1cc(N)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587744718 IFYQFSNJDSSMNS-APBUJDDRSA-N 391.284 4.171 0 1 GIAF CC[C@]1([C@@H](C(=O)OC)C(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812359 YRLHNVLNCQSBGM-LSKLOWJMSA-N 386.305 4.173 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(C)(C)O)N1 587825000 FIFHUYQAVMUNNR-BUXKBTBVSA-N 378.285 4.137 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(C(=O)O)ccc32)N1 587825986 JADSZNAWEMPMRK-OVWNDWIMSA-N 390.252 4.010 0 1 GIAF Cc1cc2c(cc1F)[C@H](c1cccc(OCc3occc3C(=O)O)c1)NCC2 962148272 SOYPLOPDMQMEKY-NRFANRHFSA-N 381.403 4.239 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(-c4cccc(F)c4F)o3)c3cccc1c32 963036615 XUDAFUNHFOPEPX-VERVWZFWSA-N 380.394 4.368 0 1 GIAF Cc1ccnc2c1CCN[C@]2(CCCC1OCC(C)(C)CO1)c1ccccc1F 963068658 BXLNEVIVTVMEOB-XMMPIXPASA-N 398.522 4.488 0 1 GIAF O=C(O)c1cc(SCc2ccccc2)ccc1NS(=O)(=O)c1ccccc1 1857561898 PFLPLVQCERIQHS-UHFFFAOYSA-N 399.493 4.478 0 1 GIAF CC(C)Oc1cc(OC(C)C)cc(C(=O)Nc2ccc(/C=C/C(=O)O)cn2)c1 1857587674 QPBJKNYFDLQWPJ-SOFGYWHQSA-N 384.432 4.006 0 1 GIAF Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 1857635705 UVUXWUYEHXADCJ-RBUKOAKNSA-N 389.430 4.402 0 1 GIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CC[C@]3(CCOC3=O)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 2356340429 OVICILMSQORLAX-CPHJNOBHSA-N 378.509 4.025 0 1 GIAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 2356345395 PWLVZSHZFIGCNL-PXCRPINLSA-N 388.545 4.016 0 1 GIAF COc1ccc(OC)c([C@@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)c1 61929705 ZTIPOUSWKIEXKU-QGZVFWFLSA-N 378.350 4.194 0 3 GIAF CC(=O)O[C@H]1[C@H]2c3c(ccc4c(=O)cc(-c5ccccc5)oc34)O[C@@H]2OC1(C)C 5712051 XTIQPKJOGKMOSY-BAGYTPMASA-N 392.407 4.003 0 1 GIAF O=C(NC[C@@H](O)c1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1 26186964 ZCNDXJUVYXVRNI-XMMPIXPASA-N 398.462 4.277 0 1 GIAF O=C(CCCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@H]21)NC1CCCC1 29222432 BRUVTZPNTGAZES-HXUWFJFHSA-N 393.531 4.204 0 1 GIAF Cc1ccc(C(=O)N2Cc3[nH]nc(NC(=O)c4ccc5ccccc5c4)c3C2)cc1 53242818 RFCFGUNDAYZPSK-UHFFFAOYSA-N 396.450 4.280 0 1 GIAF CN(C)CC(C)(C)Oc1ccc(-n2ccc(OCc3ccccc3)cc2=O)cc1 66260200 ZPONMQAJTFIAHB-UHFFFAOYSA-N 392.499 4.136 0 1 GIAF CCCCNC(=O)N1CCC(Nc2nccc(-c3ccc(Cl)cc3)n2)CC1 71316502 CBTCVQVDYZVMAF-UHFFFAOYSA-N 387.915 4.183 0 1 GIAF CCn1ccc2cc(-c3cnc(N)nc3-c3cc(OC)c(OC)cc3O)ccc21 71318711 MLOKUIFDWMLGJL-UHFFFAOYSA-N 390.443 4.090 0 1 GIAF CCCc1[nH]c(C(=O)c2cc(OC)c(OC)c(OC)c2)nc1-c1ccccc1 95580815 CDFYPFAKTOVHQN-UHFFFAOYSA-N 380.444 4.286 0 1 GIAF COC(=O)c1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2c(c1)N=CC2 100620833 LEEGNABSFRNDRV-IRLDBZIGSA-N 388.467 4.066 0 1 GIAF Cc1ccccc1C(=O)N1CCC(F)(F)[C@H](Oc2ccc3ccccc3n2)C1 145936682 OBZPQPZHWIEXBQ-LJQANCHMSA-N 382.410 4.472 0 1 GIAF Nc1ccnc(Oc2c(C3CCC3)ccc(-c3cnc4c(c3)OCCN4)c2F)n1 224556867 CCDKWBHLJMWSJM-UHFFFAOYSA-N 393.422 4.124 0 1 GIAF CC(=O)O[C@H]1C/C(C)=C\CC[C@H](C)CC(=O)CC2=C[C@H](OC2=O)[C@@H]1C(C)C 238789850 QWGSYRKRZRCPAG-XIPCPKKTSA-N 376.493 4.158 0 1 GIAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccccc2OC)cc1 253695091 CXUONQXREPWOEC-DXGQVJSXSA-N 389.495 4.401 0 1 GIAF Nc1cc2c(cc1-c1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)OCCO2 586986573 CUQODUYYLYIHOM-UHFFFAOYSA-N 396.402 4.172 0 1 GIAF Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnc2ccnn12 586989245 CLGMICHLNIUNLP-UHFFFAOYSA-N 378.391 4.170 0 1 GIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2C1 587033945 KQSMYFPRHCMZEM-UHFFFAOYSA-N 395.488 4.461 0 1 GIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(N)=O)cc2[nH]1 587034553 OSMKTSHGMXBANT-OAHLLOKOSA-N 392.484 4.148 0 1 GIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Br)cnc2[nH]1 587079051 FXLHBBKZRNDQJL-GFCCVEGCSA-N 390.672 4.098 0 1 GIAF CCOC(=O)[C@H]1C(=O)Cc2nc3c(C)ccc4c3c(c2[C@H]1C)-c1ccccc1C4=O 587096340 CXUDEGTWMDCKMF-ZUOKHONESA-N 399.446 4.163 0 1 GIAF Fc1cccc(Cn2nnc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2Cl)c1 587160644 FLFHLHIIMPYGEA-UHFFFAOYSA-N 396.735 4.076 0 1 GIAF CCOC(=O)[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347602 LRVGTPGBTVQBAF-JXHRLWIKSA-N 398.430 4.382 0 1 GIAF C=CN1CC[C@H]([C@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587474745 JHYUCTHUAPXDNV-YADARESESA-N 391.467 4.197 0 1 GIAF CCOC(=O)[C@@]1(c2ccc(Cl)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499903 NZGWBJPANYKUIP-NRFANRHFSA-N 385.847 4.038 0 1 GIAF COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587559031 VETCYYVNIVSJKU-NQIIRXRSSA-N 394.354 4.021 0 1 GIAF Cc1ccn2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(C)nc2c1 587589274 UJCRCZXILYAPHF-CVDCTZTESA-N 386.407 4.360 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2cc(F)ccc2F)N1 587720190 RLOGZGQZZGAZKG-BCTVWOGZSA-N 384.195 4.325 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc3ccc(F)cc3[nH]2)N1 587729338 HJFYDNYJAHBNSH-NIVTXAMTSA-N 392.247 4.401 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2c2cncnc2)N1 587780004 XHCYTTWGFIRVAD-XFHNUULXSA-N 390.300 4.466 0 1 GIAF Cc1ccc(C)c(Cc2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)c1 587923993 XABJHPQVXXERNC-UHFFFAOYSA-N 386.542 4.414 0 1 GIAF N=c1[nH]c2nc(CCCCCCCCCCCCC(=O)O)nc-2c(Cl)[nH]1 587957373 YRVYNIQVVSVJEQ-UHFFFAOYSA-N 381.908 4.289 0 1 GIAF Cc1cc(C)c([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cn1 963180339 PWLFEMNDKGRSHD-HOTGVXAUSA-N 384.785 4.059 0 1 GIAF CCCCc1ccc(-c2cn(Cc3cc(=O)oc4cc(O)ccc34)nn2)cc1 1772589943 ULVHBSPSRNBHIU-UHFFFAOYSA-N 375.428 4.148 0 1 GIAF N[C@H](CNCc1cc2c(-c3ccc4ccccc4c3)cccc2s1)C(=O)O 1772649727 VCEDNYUWRYIFLD-HXUWFJFHSA-N 376.481 4.223 0 1 GIAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)[C@H]3CCCO3)c2)[nH]1 1857542415 HTMPLNGIKKRYHY-OAHLLOKOSA-N 398.463 4.117 0 1 GIAF Fc1ccc(Cn2c(N3CCNCC3)nc3ccc(C4CC4)cc32)cc1Cl 1857639231 IBAYUVSRYOMLKC-UHFFFAOYSA-N 384.886 4.164 0 1 GIAF CC(=O)O[C@@H]1C[C@@H]2[C@@H]3CC[C@H]4[C@H](OC(C)=O)CCC[C@]4(C)[C@H]3C(=O)C[C@]2(C)C1 2356574947 UWGFXQDWWNQJNN-SOYWKHEQSA-N 390.520 4.072 0 1 GIAF CC1(C)CO[C@]2(C[C@@]34C[C@H]2CC[C@@H]3[C@]2(C)CCCC(C)(C)[C@H]2C(=O)[C@H]4O)O1 2356781501 ISGRVSGPQTWWAS-JMDZKANXSA-N 376.537 4.091 0 1 GIAF COc1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2cccc(C(F)(F)F)c2)cc1 199729422 RYZJSMLHVRKZEK-GOSISDBHSA-N 387.361 4.495 0 3 GIAF CC(=O)N(Cc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)N(C)C)cc21 756204 NDCXTIDCKTUGDY-HXUWFJFHSA-N 380.488 4.039 0 1 GIAF Cc1cc(=O)c(Oc2ccc(F)cc2F)c(-c2ccc([S@@](C)=O)cc2)o1 3986166 OTLLZHXQRRNIOL-SANMLTNESA-N 376.380 4.423 0 1 GIAF CCCCC[C@@H](C)NC(=O)CSc1nnc2c3ccccc3n(CC)c2n1 7096800 FRUYJNHTJBRKJY-CQSZACIVSA-N 385.537 4.177 0 1 GIAF biogenic C[C@H]1CC[C@@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](C)CC(=O)OC(CO)CO 15266728 BJLPMYREWUOTSW-WKUQZLKGSA-N 380.569 4.488 0 1 GIAF biogenic CN(C)CCNC(=O)c1cccc2ccc(-c3ccc(C(F)(F)F)cc3)nc12 27319240 MUVMTRNTKOXKSX-UHFFFAOYSA-N 387.405 4.212 0 1 GIAF C[C@H]1CCCCN1c1ccccc1[C@@H](C)NC(=O)Cc1ccc(C(=O)O)cc1 27563338 VRGPFBVTIGOXNH-DLBZAZTESA-N 380.488 4.184 0 1 GIAF O=S(=O)(c1ccc(Cl)cc1)n1cc(C2=CCNCC2)c2cc(F)ccc21 28129662 NEMWOCRYCNXLKU-UHFFFAOYSA-N 390.867 4.048 0 1 GIAF C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\C/C=C/C(=O)O 29465718 BUFWZRKDBSESPF-MBBGKLKGSA-N 382.500 4.478 0 1 GIAF CCC[C@@H](Sc1nsc(NC(=O)NC)c1C(N)=O)c1ccc(Cl)cc1 36348965 YSOVXPTZPIBWGX-LLVKDONJSA-N 398.941 4.280 0 1 GIAF CCCCCC[C@H](C)/C=C(C)/C=C/C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C/C(=O)O 38896775 SZTWZPUAGRSHIP-IYTPOVNBSA-N 390.476 4.130 0 1 GIAF O=C(c1ccccc1N1CCn2c(ccc2-c2ccccc2)C1=O)N1CCCCC1 64559406 DBFZOARSYXNQHS-UHFFFAOYSA-N 399.494 4.442 0 1 GIAF CCn1c(-c2ccccc2)nc(C)c1CC(=O)NCc1ccc(F)c(F)c1F 72111510 USMUJOYBPMHEPX-UHFFFAOYSA-N 387.405 4.155 0 1 GIAF CCOC(=O)c1nc2c(O)n(Cc3ccccc3)nc(-c3ccccc3)c-2c1C 100791977 OLJAAPUCEAQOJO-UHFFFAOYSA-N 387.439 4.289 0 1 GIAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Br)c(Cl)c1)CN32 100912846 GBSHIUSLZXGHTO-KZJIAPPRSA-N 396.712 4.142 0 1 GIAF COc1cc2c(cc1OC)[S@](C)(=O)=NC(N1CCC(c3ccccc3)CC1)=N2 101761965 LGEDQAMIRJFGAA-NDEPHWFRSA-N 399.516 4.041 0 1 GIAF COC(=O)C1=C[C@H]2C(=O)c3ccccc3[C@@]1(c1ccccc1)N2C1CCCCC1 102979346 ZKADLOXAHFISDD-WIOPSUGQSA-N 387.479 4.243 0 1 GIAF CC(C)(C[C@@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F)c1ccc(F)cc1O 103250770 YUENOOALVDTBKW-SFHVURJKSA-N 397.372 4.006 0 1 GIAF COc1cc(-c2nc(/C=C/c3ccc(F)cc3)n(C)n2)ccc1-n1cnc(C)c1 141405765 SGWVOMLONNTKIC-IZZDOVSWSA-N 389.434 4.294 0 1 GIAF Cc1cccc(C(=O)N[C@]2(C(=O)O)Cc3ccc(F)cc3C2)c1C1=CCCC1 146512531 SSCNSRFCMRTGIA-HSZRJFAPSA-N 379.431 4.053 0 1 GIAF CN(C(=O)c1cccc(F)c1)[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169322555 UUNPXSFUIQPRLO-UWJYYQICSA-N 377.463 4.141 0 1 GIAF O=C(O)C[C@H](NC(=O)c1cccc(-c2ccccc2F)n1)c1cccc(Cl)c1 203335872 OXALRWBMKCEBRR-IBGZPJMESA-N 398.821 4.487 0 1 GIAF COc1ccnc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc2nc(C)sc2c1 215900443 BVDMAVDFBWSINA-INIZCTEOSA-N 397.500 4.271 0 1 GIAF CCCN1CCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CC1 223668009 QUEZOJTZNZOPBK-UHFFFAOYSA-N 393.560 4.164 0 1 GIAF Cc1cc(F)c2[nH]c([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2c1 586939511 VISFKYLESRMRGF-INIZCTEOSA-N 395.887 4.339 0 1 GIAF Cc1ccc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1C(F)(F)F 587095590 LYKIVIVYIYRAIK-UHFFFAOYSA-N 389.421 4.313 0 1 GIAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(OC)cccc2[nH]1 587181653 YLLGWQZGBTZPDP-SECBINFHSA-N 396.232 4.011 0 1 GIAF COc1ccc(C)cc1NCCCc1nc2cc(Br)c(C)nc2[nH]1 587227960 DVYAUMZOLMTVRB-UHFFFAOYSA-N 389.297 4.391 0 1 GIAF COc1cc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2cc1F 587258506 LROYFWBDJAFRJJ-KRWDZBQOSA-N 392.434 4.283 0 1 GIAF CCOC(=O)CCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349761 QNPKCPUVWBBWHG-IRLDBZIGSA-N 386.419 4.382 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(OCC)cc1)CC2=O 587479202 LZCDACTXQKZLBZ-HSZRJFAPSA-N 398.455 4.167 0 1 GIAF COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1OC 587599336 FMQVSCZJOLPZTC-AVRDEDQJSA-N 378.380 4.112 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2scc3c2OCCO3)N1 587851270 IEYAAPFTIAJDIW-RTHLEPHNSA-N 384.270 4.045 0 1 GIAF COc1ccc(C[C@@H](C)c2nc3ccnc(Br)c3[nH]2)cc1OC 587927362 SXHXPIMVLWKSQF-SNVBAGLBSA-N 376.254 4.084 0 1 GIAF Oc1cc(-c2ccccc2F)c(O)n1NCc1ccccc1Br 587939314 AUCFNYIDLLSOBW-UHFFFAOYSA-N 377.213 4.212 0 1 GIAF COc1ccc(-c2c(C)nn3c(=O)cc(-c4ccc5ncccc5c4)[nH]c23)cc1 653682142 KVZLQNOPFXYVKC-UHFFFAOYSA-N 382.423 4.222 0 1 GIAF O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(Cl)c(Cl)cc21 653795390 XKYAINCUPIALNP-UHFFFAOYSA-N 379.243 4.482 0 1 GIAF Nc1nc2cc([C@@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)ccc2o1 962642968 OVFARIOHJUFAFV-GBXCKJPGSA-N 396.494 4.246 0 1 GIAF COc1cccc(CC[C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1 962673008 UYLXDUOEIDYVMI-QPPBQGQZSA-N 390.483 4.016 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@H]2C(=O)Cc1cccc(Br)c1 963257590 LBIKWOXOOXBLBM-GOSISDBHSA-N 394.696 4.110 0 1 GIAF COc1ccc(C2=C[C@@H](c3ccc(Br)cc3)NC(=S)N2)cc1 1772575570 FCOHAFBDYPOXJT-HNNXBMFYSA-N 375.291 4.018 0 1 GIAF CC[C@@H]1CCCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857647600 ZERAOIGILUKWOF-RHSMWYFYSA-N 386.442 4.082 0 1 GIAF NC(=O)CCc1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)cc1 1857752966 UYGBEIQHCQEUJU-UHFFFAOYSA-N 387.487 4.454 0 1 GIAF O=C(O)C=CC=Cc1ccc(NN(O)c2ccc(C=CC=CC(=O)O)cc2)cc1 2356805964 AERKEBQXFPFWQK-UHFFFAOYSA-N 392.411 4.217 0 1 GIAF Cc1[nH]nc2c1[C@H](c1ccc(Br)cc1)N(Cc1ccccc1)C2=O 199729484 JLJDCRGZACXBGC-SFHVURJKSA-N 382.261 4.226 0 3 GIAF COCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC 1895097 SWIHGAFGYUTAOY-UHFFFAOYSA-N 377.803 4.200 0 1 GIAF CC1=C(C(=O)Nc2ccc(Cc3ccncc3)cc2)C2(CCCCC2)OC1=O 6746385 IZQKGIVSHSUGGO-UHFFFAOYSA-N 376.456 4.187 0 1 GIAF C[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCCC1 27626142 SXOUJRTVJACORW-QGZVFWFLSA-N 380.488 4.185 0 1 GIAF CC(C)(C)c1ccc(Oc2cccc([C@H]3SCC(=O)N3CC(=O)O)c2)cc1 27755415 QTUQOLMXTOGECR-HXUWFJFHSA-N 385.485 4.435 0 1 GIAF O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccco2)O1 29411157 XOAHTMYZYSBTNJ-CDJBXZAQSA-N 383.227 4.245 0 1 GIAF CCCCC(=O)N(Cc1ccc2cnccc2c1)c1cccc(-c2nnn[nH]2)c1 84707822 XJXCHKBSUQGDFB-UHFFFAOYSA-N 386.459 4.138 0 1 GIAF CN(Cc1ccccc1)C(=O)c1cc2c(Cc3cccc(F)c3)n[nH]c2cc1O 84713158 FLSUWGWDACWSAZ-UHFFFAOYSA-N 389.430 4.271 0 1 GIAF CCC(=O)NCCc1nc(-c2nc(C)cs2)c(-c2ccc3ncsc3c2)[nH]1 95557868 FOFBGWSDCXZFJS-UHFFFAOYSA-N 397.529 4.187 0 1 GIAF O=C(C1CCCCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2F)cc1 100106251 ATQUGVZYLIXSKG-JKHIJQBDSA-N 378.491 4.339 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4ccc5occc5c4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632946 AUZWOAZSYDDIHT-KSSFIOAISA-N 392.480 4.107 0 1 GIAF O=C(N[C@@H]1CCCc2ccccc21)c1cnn2c1NC(=C1CC1)C=C2C(F)F 103115120 XMBQBGORODLEBS-MRXNPFEDSA-N 382.414 4.270 0 1 GIAF Cc1ccc([C@H]2CC(c3nc4ccccc4[nH]3)=NN2C(=O)c2ccncc2)cc1 103213323 TWPJIASMINOHJP-OAQYLSRUSA-N 381.439 4.258 0 1 GIAF O=C1NC(=O)N(c2ccc3[nH]cnc3c2)[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 116911794 MXPHBFZARPUTMB-CQSZACIVSA-N 394.740 4.033 0 1 GIAF Cn1cc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)cn1 139347001 BOGCZOWPSHBNFV-UHFFFAOYSA-N 395.422 4.382 0 1 GIAF COc1ccc(CNc2c3c(nc4ccc(C#N)cc24)CCNC3)cc1Cl 205311244 PMBQHJFQTGZRDS-UHFFFAOYSA-N 378.863 4.026 0 1 GIAF O[C@H]1CC[C@@H](c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)CC1 586899527 PSEAZEVPIDRNDA-OCAPTIKFSA-N 379.176 4.243 0 1 GIAF CCOC(=O)[C@@H]1C(=O)Cc2nc3c(C)ccc4c3c(c2[C@@H]1C)-c1ccccc1C4=O 587096336 CXUDEGTWMDCKMF-RBZFPXEDSA-N 399.446 4.163 0 1 GIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(F)c2[nH]1 587112919 LOTKHJBLVDQSGZ-QGZVFWFLSA-N 383.320 4.260 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587134775 OKPKCRXADHGXPF-UHFFFAOYSA-N 384.354 4.181 0 1 GIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587147687 AQWYNVUQGGASJO-UHFFFAOYSA-N 382.370 4.070 0 1 GIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(Br)nc2[nH]1 587201208 JZMXBXDXGUYNFL-UHFFFAOYSA-N 397.317 4.301 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccnn3C(C)C)c1C)O2 587392928 XRAFGUYVUUYYNV-HXUWFJFHSA-N 378.476 4.469 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccc(Cl)cc4)nc1)[C@@H](C2)C3=O 587420938 KFBWREHYTILPMF-JXFKEZNVSA-N 378.815 4.294 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1N[C@@H]1c1ccccc1)[C@@H](C2)C3=O 587440771 QKJXQOHWXPTOCC-MCWSDJLFSA-N 383.447 4.051 0 1 GIAF O=C1CC2(CCN(C(=O)c3ccc(F)cc3)CC2)Oc2c1ccc1c2CCCC1 587506664 LGNCLSPKNYHRGD-UHFFFAOYSA-N 393.458 4.345 0 1 GIAF O=C1C[C@]2(CN(Cc3ccccc3)C(=O)C23CC3)Oc2c1ccc1c2CCCC1 587517192 IUBUXRFBYNJDGE-RUZDIDTESA-N 387.479 4.092 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Br 587543165 HWEYYTVXLOEJDR-YJBOKZPZSA-N 398.212 4.253 0 1 GIAF COc1cc(OC)cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587600229 NECZPKDWLRTKBV-NZQKXSOJSA-N 392.407 4.286 0 1 GIAF Cn1cc(-c2[nH]c3cc(C(F)(F)F)cc(C(F)(F)F)c3c2CC(=O)O)cn1 587628248 PYWZTASIPMVCDG-UHFFFAOYSA-N 391.271 4.233 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C[C@H]1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587796406 KEIHBPGYQYGGPY-NMRSOGARSA-N 398.316 4.317 0 1 GIAF CCOC(=O)CC[C@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797163 LZNODIARIIUFOL-BBATYDOGSA-N 384.289 4.071 0 1 GIAF COc1ccc(OC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587800397 GMBUCSKKZSOJSY-ZMZPIMSZSA-N 380.257 4.251 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CCC(=O)O)cc2)N1 587829627 RQIKACGARJVNJH-JEOXALJRSA-N 392.268 4.229 0 1 GIAF CCOc1cc(C=O)c(OCC)n1-c1cnc2cc(Br)ccc2c1 587939201 JBBBZFQXRFQNSD-UHFFFAOYSA-N 389.249 4.398 0 1 GIAF COc1cc2c(c(OC)c1OC)-c1cc3c(ccn3C)cc1[C@@H](OC(C)=O)CC2 653687591 LANVGWBANAFERE-IBGZPJMESA-N 395.455 4.422 0 1 GIAF Cc1ccncc1[C@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962901790 SEJUUMMDJWZLQI-RBBKRZOGSA-N 396.849 4.073 0 1 GIAF Cc1c(Br)cccc1[C@@]1(C)NC[C@H]2CC(=O)N(C)c3cccc1c32 963033196 QHXOGVGXNADKFX-ZUOKHONESA-N 385.305 4.074 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccccc1)c1cc(N)ccc1C 963609151 MDMDWJLBQBPNQP-GKVSMKOHSA-N 388.511 4.421 0 1 GIAF O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/[C@@H](O)Cc2ccccc2F)cc1 1772628050 ABNHKWJQNLIOML-BWHFGBASSA-N 396.458 4.212 0 1 GIAF COc1cc2c(cc1C(=O)N(C)C)CC[C@H]1C(C)(C)c3oc(C)nc3C[C@]21C 1772658064 PZGYVHZCZFGNGL-WMZHIEFXSA-N 382.504 4.047 0 1 GIAF COc1cccc(-c2nnc(Nc3ccc(CC(N)=O)cc3)c3ccccc23)c1 1857608109 SXLKIEBNHPLAEA-UHFFFAOYSA-N 384.439 4.077 0 1 GIAF CN1CCN(c2cc(-c3ccncc3)c(-c3ccc4ccc(F)cc4c3)nn2)CC1 1911577173 JFIFTUZQRREXAJ-UHFFFAOYSA-N 399.473 4.250 0 1 GIAF F[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1OCc1nc2ccccc2[nH]1 2356299793 OJPBNURMHYOEIF-YJBOKZPZSA-N 393.384 4.321 0 1 GIAF COc1cc(=O)oc2cc(Oc3cc(C)c4c(OC)cc(=O)oc4c3)cc(C)c12 2356325026 VRJLIEGLWIKDIY-UHFFFAOYSA-N 394.379 4.326 0 1 GIAF CC(=O)O[C@@H]1CCC(C)=C[C@H]2OC(=O)C(C)=C2CCC(C)=CCC[C@]1(C)O 2356329501 GLGCSFHERWMYPP-SJBKTWHCSA-N 376.493 4.158 0 1 GIAF COc1c(CC=C(C)CO)cc(C(=O)O)cc1CC=C(C)[C@@H](O)CC=C(C)C 2356402722 OEMOEHNEHVNPSL-NRFANRHFSA-N 388.504 4.081 0 1 GIAF COc1cccc(C[C@@]2(CO)CCCN(Cc3cn(C)c4ccccc34)C2)c1 13596618 PFPVLMXVRGZRBP-DEOSSOPVSA-N 378.516 4.004 0 3 GIAF Cc1ccc2c(c1)-n1c(nc3ccc(C)cc3c1=O)[C@@H](Cc1ccccc1)NC2=O 61949286 FJQRDIYZIJKTQA-OAQYLSRUSA-N 395.462 4.030 0 3 GIAF CC(=O)Nc1ccc(N2C(=O)CS[C@@H]2c2ccc(Br)cc2)cc1 2478713 AARCWQGVEIPBEP-QGZVFWFLSA-N 391.290 4.186 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 14904349 GNWBLLYJQXKPIP-JTHHFCNYSA-N 388.596 4.334 0 1 GIAF COc1cc(-c2ccccc2)ccc1OCCNC[C@H]1COc2ccccc2O1 40567932 NTTBWNFZOZWLDB-FQEVSTJZSA-N 391.467 4.171 0 1 GIAF COC(=O)/C=C/c1ccc(CC[C@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 45166928 HUEVKZQZMJKGGM-RGPVVRIDSA-N 387.907 4.171 0 1 GIAF O=C(Nc1ccc(N2CCNCC2)c(F)c1)c1ccc(-c2ccc(Cl)cc2)o1 84636070 IMZWHTLABIYNHC-UHFFFAOYSA-N 399.853 4.401 0 1 GIAF COc1cc(OC)c(-c2nnc(CCCc3c[nH]c4ccccc34)o2)c(OC)c1 96917112 ZGZYQIVLRZJCBU-UHFFFAOYSA-N 393.443 4.419 0 1 GIAF O=C(Nc1ccc(O)cc1)c1c(N2CCCCC2)cc(-c2ccccc2)oc1=O 103276729 LNBZOXOHFPVRGT-UHFFFAOYSA-N 390.439 4.255 0 1 GIAF CCN(Cc1ccncc1)c1cccc(C(=O)N2CCc3ccc(O)cc3C2)c1 103300989 ZAPIYEFZVYQUCA-UHFFFAOYSA-N 387.483 4.012 0 1 GIAF COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)c1 104070852 WRSBHFBGJUGJSV-FQEVSTJZSA-N 385.460 4.464 0 1 GIAF COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(=O)[C@H]2[C@@H]1c1ccc(C)o1 136650765 UFUBDAPTJFEFGH-FCHUYYIVSA-N 392.455 4.417 0 1 GIAF O=C(Cc1ccccc1)Nc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 164754360 ZFQBYGFQOMHDPB-UHFFFAOYSA-N 394.438 4.196 0 1 GIAF C[C@]12CC[C@@H]3[C@H](CN=C4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N1CCCCC1 169714134 DAGOSUFXFGLMMG-MBKTURHJSA-N 384.564 4.272 0 1 GIAF CCC(=O)N[C@H]1CCCc2c(-c3cc(Cl)c4c(c3)CCC(=O)N4C)cncc21 205014067 PYDLSXYBCSOQEO-IBGZPJMESA-N 397.906 4.215 0 1 GIAF Cc1ncc([C@H](CNC(=O)c2cccc(Cl)c2Cl)c2ccncc2)cn1 217372946 BCABALOMZTTXRL-MRXNPFEDSA-N 387.270 4.049 0 1 GIAF O=C1Nc2ccccc2/C1=C\c1cc[n+](Cc2ccc(Br)cc2)cc1 299834234 RAUFNOZLUNEYLG-UHFFFAOYSA-O 392.276 4.278 0 1 GIAF O[C@H](CCC[N+]1=CC[C@@](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 299854029 TVNNNRFMXOLHBK-RTWAWAEBSA-N 376.879 4.058 0 1 GIAF CCS(=O)(=O)c1cccc(Cc2nc3cc(C)c(Br)cc3[nH]2)c1 586921969 IVVUCMNLOGHKGY-UHFFFAOYSA-N 393.306 4.018 0 1 GIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586971887 AGUQJBLYPLSNEK-NSHDSACASA-N 397.397 4.230 0 1 GIAF Clc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2nc1Cl 587006748 OBXJATJMMWQGRO-UHFFFAOYSA-N 383.036 4.342 0 1 GIAF Cc1ccc2c(ccc3[nH]c(-c4cccn5c(Br)cnc45)nc32)n1 587007397 KHNYLVNWKFCYPW-UHFFFAOYSA-N 378.233 4.497 0 1 GIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccnc(O)c2[nH]1)c1cccc(Cl)c1 587071849 QQMXPTWLUNANJL-CQSZACIVSA-N 388.855 4.125 0 1 GIAF Fc1cc2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2cc1-n1cccn1 587118846 QDINFICRWKRXKT-UHFFFAOYSA-N 390.344 4.029 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccnc(OC)c4[nH]3)cc2F)c1 587144146 RPZPGBWJBBBLMQ-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF C[C@]1(c2ncc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332078 ILQDSGKEXMFQQO-RXVVDRJESA-N 385.341 4.479 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccc(C(=O)O)o3)cc1)O2 587404843 RUYZHQCRJAXZFY-FQEVSTJZSA-N 393.395 4.154 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)cc(Br)cc1F)[C@@H](C2)C3=O 587423969 MHCMYSCTWASVPO-BBATYDOGSA-N 395.199 4.399 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](C(F)(F)C(=O)OCC)C1)CC2=O 587460707 IXRVLHORAUZRPY-RNODOKPDSA-N 396.430 4.437 0 1 GIAF COc1cc2c(cc1OC)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H](N=O)C2 587508307 UWBGGEFACDEYJE-FYYLOGMGSA-N 393.439 4.134 0 1 GIAF O=C(O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1Cl 587547531 UAOXPNJSSVQUDM-JXFKEZNVSA-N 396.782 4.447 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cccn2)cc1 587581142 KESFOUOJDNZVHY-REWPJTCUSA-N 384.391 4.281 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12Cc1[nH]c3ccccc3c1C2 587591872 XFQKSLQZSBCSGO-QPPBQGQZSA-N 383.403 4.373 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2cc(F)ccc2F)N1 587720196 RLOGZGQZZGAZKG-VPTHRUTESA-N 384.195 4.325 0 1 GIAF C[C@H](N(C)C)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587744438 ZXGCYGJIGKUYJC-LAPQFRIASA-N 391.328 4.316 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC(=O)Nc3ccccc32)N1 587796721 UVXWPRPKXSDYIX-JEOXALJRSA-N 389.268 4.098 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O)N1 587829065 VUBWUZOVDXWTPY-YIGZLCHRSA-N 382.317 4.135 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2cccs2)N1 587844862 CHABXGHBEMSQAF-BMLIUANNSA-N 398.297 4.292 0 1 GIAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1 587950632 DSNRXLRELQMWLI-UHFFFAOYSA-N 399.516 4.240 0 1 GIAF Cc1cc(N)cnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O 653675523 XNWFFSUKXSXYOJ-AWEZNQCLSA-N 389.455 4.032 0 1 GIAF COc1c(F)cc(F)cc1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772587073 KGBUCTAVLMJSLN-HNNXBMFYSA-N 377.318 4.374 0 1 GIAF C[C@@H]1CCCN1[C@H]1CC[C@H](c2ccc(N3CCC4(CCC(O)CC4)C3=O)cc2)C1 1772648101 IGCTYQJNPOEVBM-DTXFWEJESA-N 396.575 4.465 0 1 GIAF CC(C)Cc1ccc([C@H](C)C(=O)NCCOc2ccc3ccc(=O)oc3c2)cc1 1857628704 XPVSTWDEGVQKPN-KRWDZBQOSA-N 393.483 4.290 0 1 GIAF COc1ccc(C(=O)N2CCc3cc(OC)c(OC4CCCC4)cc3C2)cc1 1857646325 UEEBUOPAVARWDJ-UHFFFAOYSA-N 381.472 4.224 0 1 GIAF COCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NO)cc2)n1 1857753125 NBFMHYNYPKSOAW-UHFFFAOYSA-N 395.246 4.067 0 1 GIAF CC(C)=CC[C@@H]1Cc2cc([C@@H]3CC(=O)c4ccc(O)cc4O3)ccc2O[C@@H]1O 2356571012 CZCONLMTHFNNBM-XFEVJDRUSA-N 380.440 4.325 0 1 GIAF C[C@H](CCc1ccco1)NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2 5006002 LQANTUFIIQGLOX-MRXNPFEDSA-N 380.488 4.319 0 3 GIAF O=C(N[C@H]1CCC(=O)N(CCSc2ccccc2)CC1)OCc1ccccc1 15937125 NDQHSAUCXUJOLN-IBGZPJMESA-N 398.528 4.086 0 3 GIAF Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 627314 BMNCVISEUQFTER-DLBZAZTESA-N 380.444 4.077 0 1 GIAF CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(Cl)cc1F 772817 DOJBUIVCLZKHJK-WBVHZDCISA-N 381.234 4.313 0 1 GIAF CCCCn1c2c(cc(C(=O)NCCc3ccccc3)c1=O)CCCCCC2 1553380 FAQHPPMVEUVAKI-UHFFFAOYSA-N 380.532 4.280 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 4295405 UHNNDVPWVOQUTI-ACRUOGEOSA-N 384.476 4.143 0 1 GIAF CCOc1cccc2oc(C(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C)nc12 13438202 LLLZBBWDGOQWQF-SFHVURJKSA-N 396.443 4.360 0 1 GIAF CNc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1 13762094 BEBUXPXGISJGLB-UHFFFAOYSA-N 395.406 4.003 0 1 GIAF CCCC1([C@@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C/CCCC(=O)O)CCC1 26169467 HJVBXPOYFHMZAS-GHQPJZDFSA-N 392.536 4.031 0 1 GIAF COc1ccc([C@@H]2CC3(N(C)C)CCNC2[C@@H](c2ccc(OC)cc2)C3)cc1 40413445 HXGYTLATAQPYNJ-KFGJODCASA-N 380.532 4.027 0 1 GIAF O=S(=O)(Nc1ccccc1)c1cccc(-c2cnn(Cc3ccccc3)c2)c1 45245639 RNUQVPBFUHGRKK-UHFFFAOYSA-N 389.480 4.399 0 1 GIAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)C3CC3)c(C(F)(F)F)c2)C1 59261980 QUVLTPSEQSBWKS-CZUORRHYSA-N 381.442 4.117 0 1 GIAF O=C1C(=O)N(Cc2ccc(-c3ccccc3)nc2)c2ccc(OC(F)(F)F)cc21 64528126 QULRUOVLZAHRKQ-UHFFFAOYSA-N 398.340 4.377 0 1 GIAF O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H]1c1c2cccc1N1CCOCC1 95571276 NHEXLHUDZFZFTD-GHTZIAJQSA-N 378.472 4.094 0 1 GIAF COc1ccc(-c2nnc(-c3cc(Br)c(Br)[nH]3)o2)cc1 95576062 SNRRVUXNGRKXNP-UHFFFAOYSA-N 399.042 4.265 0 1 GIAF O=C(NC(=S)Nc1ccc2c3c(oc2c1)CCCC3)c1ccc2c(c1)OCO2 96933235 RMIDZZGGPAWIOH-UHFFFAOYSA-N 394.452 4.167 0 1 GIAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)Cc4ccccc4)C[C@@H]2N3)cc1 100101760 VTJAYLXZDXRGAH-XNSYCPOSSA-N 382.507 4.171 0 1 GIAF O=C1NC[C@@H](c2ccc(OC(F)(F)C(F)F)cc2)N1c1ccc2[nH]cnc2c1 116195757 CCZBHLPIMLZZQH-HNNXBMFYSA-N 394.328 4.071 0 1 GIAF COc1ccc(Nc2ncc(F)c(Oc3cccc4c3C(=O)CC4)n2)c(OC)c1 145984888 QQZAICDHTNOMEC-UHFFFAOYSA-N 395.390 4.298 0 1 GIAF COc1ccc([C@@H]2/C=C/CN(CC(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 169295065 FZDZRMOMSMXZRC-OIUIXCLQSA-N 396.506 4.432 0 1 GIAF O=C(Nc1nc2ccsc2n2cccc12)C1CCN(Cc2ccccc2)CC1 169329273 OJGNIWRYUJFAIJ-UHFFFAOYSA-N 390.512 4.400 0 1 GIAF Cc1ccc(-c2noc([C@H]3CC3(F)F)n2)cc1NC(=O)c1cnc2ccccn12 206105950 HAJVNPLYVSZWRG-CYBMUJFWSA-N 395.369 4.068 0 1 GIAF O=C(O)c1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1F 586916480 ZOMJRSRABZBSNC-UHFFFAOYSA-N 392.342 4.169 0 1 GIAF Cc1ccc(-n2cnnc2SCc2nc3ccc(C(=O)O)cc3[nH]2)cc1Cl 586967880 GWZTXCPJIPHJAA-UHFFFAOYSA-N 399.863 4.096 0 1 GIAF COc1cc(Br)c([C@H](N)c2nc3cccc(Cl)c3[nH]2)cc1OC 586975308 MMBKTMZBEHNZOK-AWEZNQCLSA-N 396.672 4.044 0 1 GIAF COc1cc(/C=C\c2nc3cc4c(cc3[nH]2)NC(=O)CC4)ccc1Br 586977674 PEFOJWBOIXAGKO-UTCJRWHESA-N 398.260 4.389 0 1 GIAF COC(=O)c1cc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2cn1 587067893 TWFCIHYXCWCVGS-UHFFFAOYSA-N 393.830 4.224 0 1 GIAF CC(C)OC(=O)C1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC(F)(F)C1 587131716 SEDLAQPKPNGRRW-UHFFFAOYSA-N 398.409 4.412 0 1 GIAF Fc1ccc(-n2nnc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2C2CC2)cc1 587167765 COOZCQJLFZYBTB-UHFFFAOYSA-N 388.328 4.241 0 1 GIAF Fc1cc(Br)c2[nH]c(-c3cc(Br)cnc3F)nc2c1 587178169 SWDWRSKEZYUTAB-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF Cc1c(Br)cnc2[nH]c(C[C@H](N)c3cccc4ccccc34)nc12 587259619 XXSSCCYTAAYQIK-INIZCTEOSA-N 381.277 4.425 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N(C)C)c(Br)c1)O2 587376126 HKNMXOKPNMNRMR-KRWDZBQOSA-N 375.266 4.112 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)ccc(C3OCCO3)c1Cl)O2 587381034 FKTVZWRYLOTHGB-HNNXBMFYSA-N 377.799 4.122 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cn(-c4ccc(Cl)cc4)nc1C)[C@@H](C2)C3=O 587423495 UPPLOKYNSPERFI-KKSFZXQISA-N 380.831 4.331 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cccc(N)c21 587472778 MVFXDPDUJCMFCH-RUZDIDTESA-N 399.446 4.380 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587480006 VVCHJBMQZAGOMF-MAUKXSAKSA-N 375.465 4.078 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cccc(OC)c1)CC2=O 587481133 PSLNMFXDKCTMET-HSZRJFAPSA-N 398.455 4.167 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cn2ccnc2)c1 587578607 RJTIUINMAIFIPG-URXFXBBRSA-N 398.418 4.340 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3c(F)cccc32)N1 587737818 HOIWSLOCMYXYMG-XTZNXHDOSA-N 380.232 4.288 0 1 GIAF C[C@H]1CCCCN1C(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587757615 ANZFGHVYDOMTOR-NQCMUKECSA-N 397.332 4.129 0 1 GIAF Cc1nc2ccccc2nc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587776118 BDMPETYXCLNHQU-APBUJDDRSA-N 386.268 4.463 0 1 GIAF C=C1C=C(C)n2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc2N1 587776406 XMKMOEJGQXULIU-DYZYQPBXSA-N 389.272 4.208 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CCC(=O)[C@]3(C)CC2)N1 587831273 WWIBUNIVRHWJRW-ZBJVWZGCSA-N 378.285 4.407 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CN1CCCCC1 587859849 NERGRIGXMFIOKI-UHFFFAOYSA-N 382.291 4.382 0 1 GIAF COc1ccc(C[C@H](C)c2nc3cc(Br)cnc3[nH]2)cc1OC 587927330 SJWBGFFFQLKGPO-JTQLQIEISA-N 376.254 4.084 0 1 GIAF Cc1cncc(C)c1[C@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963168090 FSIWUGQEIAUPDX-ZBFHGGJFSA-N 384.785 4.059 0 1 GIAF CC(=O)Oc1cccc([C@@]2(c3ccccc3Cl)NCCc3ccc(O)cc32)c1 963351751 IRIJYYNAJDOCTF-QHCPKHFHSA-N 393.870 4.409 0 1 GIAF O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(-c2ccc(F)cc2)cc1 1772597637 YNLITXKSOWZJGT-UHFFFAOYSA-N 377.415 4.470 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](C[C@H]1CCCN(Cc3ccccc3)C1)C2 1772622097 LKYMOSKDWXXCSI-QUCCMNQESA-N 379.500 4.361 0 1 GIAF CCOc1cc2c(cc1OC)[C@H]1Cc3c([nH]c4ccc(OC)cc34)CN1CC2 1772627255 YLXQRPUNHOVLSF-OAQYLSRUSA-N 378.472 4.239 0 1 GIAF CN(C)CCN=c1[nH]c(/C=C/c2ccc(F)c(F)c2)nc2ccc(Cl)cc12 1857603313 LDCVUTBKQWPHPM-XBXARRHUSA-N 388.849 4.127 0 1 GIAF Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)c2)c(C)c1 4893344 LERDLTLRPIETLD-LPTDTENNSA-N 388.467 4.091 0 1 GIAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OS(=O)(=O)O)CC[C@@]4(C)[C@H]3CC[C@@]12C 7997508 DIJBBUIOWGGQOP-YSPFXGIPSA-N 396.549 4.342 0 1 GIAF CCC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 13436004 KSRRPXVKALLJHV-UHFFFAOYSA-N 378.259 4.096 0 1 GIAF Cc1noc(-c2ncn3c2CN=C(c2ccccc2)c2c(Cl)cccc2-3)n1 26380575 CHNOKOMJIBIAEZ-UHFFFAOYSA-N 375.819 4.235 0 1 GIAF C[C@H]1C=C2OCOC2=C(CCn2nccc2C(=O)Nc2ccc(Cl)cc2)C1 28822036 SWFNWUPRJMPYDW-CYBMUJFWSA-N 385.851 4.361 0 1 GIAF CN(C)c1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(Cl)cc1Cl 29468575 PLWGNLZODUBEPA-UHFFFAOYSA-N 390.196 4.266 0 1 GIAF CC1=NC(C)=C([N+](=O)[O-])[C@H](c2ccccn2)/C1=C(/O)OCCc1ccccc1 29484881 AAUGTQLUIUTNJR-SRIJWZPRSA-N 379.416 4.177 0 1 GIAF Cc1ccc(N2CCc3ncnc(NCCc4ccccc4Cl)c3C2)nc1 35077828 ORRVRGHOSLMGBL-UHFFFAOYSA-N 379.895 4.051 0 1 GIAF Cc1cc(NC(=O)NCc2cccs2)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 43204926 CCDWSMJPLNHEDZ-PKOBYXMFSA-N 398.576 4.441 0 1 GIAF O=C(Nc1cccc(Cl)c1Cl)NC1CCN(Cc2cccc(O)c2)CC1 45167898 UUILRCKZPXOTPQ-UHFFFAOYSA-N 394.302 4.485 0 1 GIAF Cc1cc2oc(=O)c(Cc3c(O)c4cc(C)c(C)cc4oc3=O)c(O)c2cc1C 45261493 DYDUFLRXXWEPTB-UHFFFAOYSA-N 392.407 4.135 0 1 GIAF CC(C)Sc1ccc(C(=O)n2nc(O)c3cc(Br)ccc32)cn1 45498359 SJILSCBQXABFTR-UHFFFAOYSA-N 392.278 4.088 0 1 GIAF O=C(O)c1cc2c([nH]c3ccccc32)c(C(=O)c2cccc(Br)c2)n1 66078457 XPQIIEZVFHRMMG-UHFFFAOYSA-N 395.212 4.408 0 1 GIAF CCNC(=O)c1ccc(-c2ccc3ncnc(NCc4ccc(C)o4)c3c2)o1 66148941 SURRKIBIRIVKLG-UHFFFAOYSA-N 376.416 4.153 0 1 GIAF CC(C)C[C@@H]1COc2c(Cl)cccc2S(=O)(=O)N1Cc1ccc(F)cc1 72141276 BWZMLKKZIOCKPF-MRXNPFEDSA-N 397.899 4.477 0 1 GIAF CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 82139302 TVVOCBPIZIKNHF-CALCHBBNSA-N 398.526 4.493 0 1 GIAF CCOC(=O)c1ncn2c1[C@H](C)N=C(c1ccc(F)cc1)c1cc(F)ccc1-2 95556249 GXIOJUSHXWWWJB-LBPRGKRZSA-N 381.382 4.239 0 1 GIAF Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3nccc4ccccc34)ccc12 95572895 QTGFXKONNUKUOK-UHFFFAOYSA-N 389.407 4.246 0 1 GIAF OC[C@H]1Nc2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@H]1CCN2Cc1ccncc1 95878853 ZBWANAPTTFSGLR-ZTCOLXNVSA-N 389.474 4.237 0 1 GIAF CCCS(=O)(=O)Nc1ccc(F)c(COc2cnc3ccccc3c2)c1F 113490759 GOLCVFKZKIIDKD-UHFFFAOYSA-N 392.427 4.244 0 1 GIAF CC(=O)N1CCC[C@]2(C)[C@H]3CC[C@]4(C)C(n5ccnn5)=CC[C@H]4[C@@H]3CC[C@H]2C1 169213221 OCOZDSHYHSVJGV-WAUHAFJUSA-N 382.552 4.230 0 1 GIAF C[C@H](O)[C@@H](CCCCCCC(=O)O)CCC[C@@H](O)COc1ccc(F)cc1 169316954 XOKYYLJNBXELLF-JENIJYKNSA-N 384.488 4.158 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4[C@@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714190 ZTHAQUDQAORYRJ-FZIKJVDYSA-N 386.580 4.373 0 1 GIAF O[C@@H](CCCN1C=C[C@@](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 299853531 MFRRKLRVXZYOMO-SFTDATJTSA-N 375.871 4.400 0 1 GIAF CCOC(=O)c1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 587022880 CLDFCEPXJPIBHC-UHFFFAOYSA-N 388.449 4.210 0 1 GIAF CN1CCN(c2ccc3[nH]c(-c4ccc(-c5nccs5)s4)nc3c2)CC1 587023483 CNRKVWWMYLVWMG-UHFFFAOYSA-N 381.530 4.167 0 1 GIAF C[C@H](c1nc2ccc(CO)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130639 WTDAEHLAZHZHDO-ZCFIWIBFSA-N 376.741 4.390 0 1 GIAF Cc1cc(Br)cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c12 587131117 YCJUSDCMAXNNDY-UHFFFAOYSA-N 387.224 4.252 0 1 GIAF Fc1ccc(/C=C(/c2nc3ccc(-n4cnnn4)cc3[nH]2)c2cccs2)cc1 587163305 HOURUOJOEKBQLK-MHWRWJLKSA-N 388.431 4.328 0 1 GIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(Cl)nc2[nH]1 587258230 BNLAMFJGMQRYOX-HNNXBMFYSA-N 379.851 4.183 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(Br)[nH]c4ccccc14)[C@@H](C2)C3=O 587417687 OJHRQQWXDZLQMC-SGTLLEGYSA-N 384.229 4.428 0 1 GIAF CCOC(=O)[C@]1(c2ccc(Cl)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587499904 NZGWBJPANYKUIP-OAQYLSRUSA-N 385.847 4.038 0 1 GIAF CC(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587579511 OMDUVKQLCXJZKM-REWPJTCUSA-N 389.407 4.228 0 1 GIAF COC(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587592269 JQHFBRJLLINPJF-CVDCTZTESA-N 390.391 4.056 0 1 GIAF Cc1nc(O)c(Cl)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587696576 LGFMVRZYORZVOR-QPFGOUBPSA-N 399.691 4.448 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc3c(Cl)n[nH]c23)N1 587707841 XGXGMAUGVKKRFN-JKYUHCHBSA-N 395.663 4.137 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3c(cnn3C)cc2F)N1 587727775 DIFHHFSOMVCSJQ-LZVRBXCZSA-N 392.247 4.238 0 1 GIAF CCn1ncc([C@]2(CC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587763601 KJXYFDSAIBREFH-BBATYDOGSA-N 380.305 4.301 0 1 GIAF CCOC(=O)[C@]1(C2CCCCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587797652 MRTJJZCMBWSCJQ-CWTRNNRKSA-N 398.316 4.461 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2/C=C/C(=O)O)N1 587828266 ODZGRCSOUMYGLK-YTOJRRRHSA-N 390.252 4.310 0 1 GIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587962887 KNOTZUYTGLGVRR-YUMQZZPRSA-N 391.187 4.382 0 1 GIAF COc1ccc(OC)c([C@@]2(c3cnccc3C)NCCc3ccc(F)c(C)c32)c1 962146171 NLZOGQAAXLOLCV-DEOSSOPVSA-N 392.474 4.292 0 1 GIAF CC(=O)[C@@H](Sc1ncccn1)[C@]1(C)NCCc2cccc(-c3ccccc3)c21 962670086 UQAYXOLJBQFXTN-FYYLOGMGSA-N 389.524 4.254 0 1 GIAF COc1ccc(-c2c(O)c3c(OC)c4c(cc3oc2=O)OC(C)(C)C=C4)cc1 4175465 MBZKDBQDALOSRP-UHFFFAOYSA-N 380.396 4.367 0 3 GIAF biogenic,in-vitro C[C@]1(C(=O)Nc2cnc3ccccc3c2)CCN1C(=O)C/C=C/c1ccccc1 61904234 IGDMBEVZAAIIQV-VFUOJUBFSA-N 385.467 4.268 0 3 GIAF COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC(C)C)c(OC)c1 777009 JCTKQLWBJZOXAA-UHFFFAOYSA-N 384.407 4.303 0 1 GIAF Cc1ccc(S(=O)(=O)N(C[C@@H](O)c2ccccc2)c2ccccc2F)cc1 1662999 SIRZVLZKALFINI-OAQYLSRUSA-N 385.460 4.063 0 1 GIAF C[C@H]1CCCCN1CCNC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3 4958654 RYRKHOGVNWMXRH-HNNXBMFYSA-N 385.939 4.371 0 1 GIAF O=C(c1ccc(F)cc1)C1CCN(CC[C@@H]2Cc3cc(F)ccc3C2=O)CC1 13471623 OWXLOVODAGXFLI-QGZVFWFLSA-N 383.438 4.305 0 1 GIAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 27719309 KXGVEGMKQFWNSR-MAYRIQDDSA-N 392.580 4.478 0 1 GIAF NS(=O)(=O)c1cccc(-c2cc3ccncc3cc2OCc2ccccc2)c1 40420360 WFQYBHCSVMMJEF-UHFFFAOYSA-N 390.464 4.128 0 1 GIAF COc1ccc(COC(=O)C2=C(C(C)C)NC(=O)N[C@H]2c2cccc(C)c2)cc1 40503601 FACDGWGMRDBCSP-NRFANRHFSA-N 394.471 4.011 0 1 GIAF CCOC(=O)C1=C(C)NC(c2cccc(Cl)c2)=C(C(=O)OCC)[C@@H]1CC 40938221 PMHMDUIXZHKSAC-OAHLLOKOSA-N 377.868 4.081 0 1 GIAF O=C(Cc1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1F)N1CCCC1 66102597 LDPUPYCJAUQZJN-UHFFFAOYSA-N 395.400 4.074 0 1 GIAF COc1c(O)ccc(CCC(=O)C[C@H]2C[C@H](C)CCO2)c1-c1ccc(CN)cc1 85597469 HLCZCZIBZRBAOS-IIBYNOLFSA-N 397.515 4.233 0 1 GIAF biogenic,in-vitro COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1F)c1ccco1 103192509 AECHNKXGMALLNK-OAHLLOKOSA-N 392.703 4.179 0 1 GIAF Cc1cc(C2=C[C@H](c3ccccc3Cl)N(C(=O)c3ccncc3)N2)ccc1O 103197722 KJFVNJIDMDOKDH-HXUWFJFHSA-N 391.858 4.492 0 1 GIAF Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)[C@@H](C)C3)cc2)c1[C@@H](C)O 169354962 VIFJNFUXJIBEDW-FUHWJXTLSA-N 390.531 4.480 0 1 GIAF NCC[C@@H]1CNC(=O)c2cc(-c3cc(Cl)ccc3F)c(-c3ccccc3)n21 207271655 GNGHBXZAZFETNZ-OAHLLOKOSA-N 383.854 4.248 0 1 GIAF O=C1C[C@]2(CNc3ccc(Cl)cc32)c2cnn(Cc3ccc(Cl)cc3)c2N1 299870623 WQBHHLBPRFUYNI-HXUWFJFHSA-N 399.281 4.292 0 1 GIAF CN1CCN(c2ccc3nc(-c4cccc(-c5ccc(O)cc5)c4)[nH]c3c2)CC1 586898087 LIZCAHIFCGOKOR-UHFFFAOYSA-N 384.483 4.354 0 1 GIAF CN(Cc1nc2ccc(C(C)(C)C)cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928990 PKNQJDSMZZPTSX-UHFFFAOYSA-N 391.924 4.335 0 1 GIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1 586974710 XMIDKTMBSIXDFP-CQSZACIVSA-N 379.407 4.091 0 1 GIAF Cc1cc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c2cc1Br 587043475 RGRSHUOMORAOIH-ZDUSSCGKSA-N 382.327 4.254 0 1 GIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cncc(Br)c2[nH]1 587108683 OXMURZIXZVJQSH-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF C[C@]1(c2nc3ccc(Br)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 587159104 ZLRGEOIKCOEPNR-QGZVFWFLSA-N 392.203 4.395 0 1 GIAF COc1cc(OC)c2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc2c1 587224781 HGWQQYPCCAJMSP-MRXNPFEDSA-N 375.469 4.336 0 1 GIAF C[C@H](O)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371666 COVZZLTWVBZRDS-DKIOLRDMSA-N 384.428 4.228 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c[nH]c(=N)s1)(c1ccccc1Cl)O2 587413058 LTXHYVJZQMCTET-IBGZPJMESA-N 385.876 4.009 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc4cc(Br)ccc4[nH]1)[C@@H](C2)C3=O 587416446 BEIAYQRPGLWDIZ-DJJJIMSYSA-N 384.229 4.428 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OC(F)(F)C(F)F)[C@@H](C2)C3=O 587419593 CZTGTMFLUUTZQN-SJCJKPOMSA-N 382.309 4.421 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccc([C@@H](C)C(=O)O)cc1)(C(C)C)[C@@H](C2)C3=O 587447002 JRAMZFXANMSKCT-UTAGQHFDSA-N 380.440 4.182 0 1 GIAF CCn1ncc(Cl)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545009 FYNKLVBQYIZGTK-OXJNMPFZSA-N 384.819 4.139 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)OC(F)(F)O2 587559195 ZMXISEYPMLFNKD-FXAWDEMLSA-N 398.317 4.417 0 1 GIAF CC(C)Oc1ncccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589619 WCFKFQRQQYPLJO-RXVVDRJESA-N 377.396 4.277 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](c3nccn3C)C2)N1 587752418 DKOUYGBEFRXMOO-VPZZIHKRSA-N 392.316 4.409 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N(C)C)c2)N1 587755079 LSTPXQKJRCLULU-HXPMCKFVSA-N 377.301 4.452 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-n3cccn3)c2)N1 587761148 SNVDAGKHDRKAHE-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2COc3ccccc3C2)N1 587837055 YZIXIVLHTRQECQ-LCCAYYTGSA-N 376.269 4.415 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H](C)Oc1ccccc1 587867413 DFCDIIKBSHABBZ-GFCCVEGCSA-N 391.349 4.080 0 1 GIAF Oc1cc(-c2cccc(F)c2)c(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 587944351 ANXGAOGXEIDNEQ-UHFFFAOYSA-N 379.366 4.215 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1c(Cl)nc3scc(C)n13)N(C)[C@@H](C)C2 962563256 FLQZXDQCYGFVPN-QFYYESIMSA-N 391.924 4.341 0 1 GIAF COC(=O)c1ccc([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962717900 RDIRZRPSQFZCFS-VGOFRKELSA-N 385.504 4.239 0 1 GIAF Fc1ccc(F)c([C@]2(CC3OCCO3)c3c(F)cccc3C[C@@H]3CCCN32)c1 963116319 WLZXJHUHEJQJMO-KSFYIVLOSA-N 389.417 4.131 0 1 GIAF CN(C[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)c1ccc(F)cc1 1772573183 XBVGWGDWJNHOQD-SHTZXODSSA-N 378.455 4.155 0 1 GIAF COc1cc(C(=O)O)ccc1[C@H]1CC(C(C)(C)C)=NN1c1ccc(C(=O)O)cc1 1772656995 PRYOWZYJMVPUMQ-QGZVFWFLSA-N 396.443 4.445 0 1 GIAF CC[C@H](C)NC(=O)c1c(NC(=O)c2ccc(Cl)cc2)nc2ccc(C)cn12 1857614254 MFZALZISRRQGEB-ZDUSSCGKSA-N 384.867 4.077 0 1 GIAF CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Cc1ccc2c(c1)CCC(C)(C)O2 2356577856 UYNFAJIZQWJGJC-NHCUHLMSSA-N 384.564 4.056 0 1 GIAF Cc1ccc(CNC(=O)c2cc(-c3ccccc3)nn2Cc2cc(C)no2)cc1 36384199 JAVIRMPXAMKXTN-UHFFFAOYSA-N 386.455 4.133 0 3 GIAF CCOc1ccccc1C1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N(C)C 4296887 JMQCLWZMGUNKQV-MJGOQNOKSA-N 390.842 4.058 0 1 GIAF COc1ccc(-c2c(C)n[nH]c2-c2cc(Br)c(O)cc2O)cc1 4617887 HWWXFDOHQPTWIX-UHFFFAOYSA-N 375.222 4.234 0 1 GIAF COc1ccc([C@@H](c2ccc(O)cc2O)c2ccc(C(C)C)cc(=O)c2O)cc1 28220873 SKQSOPFZSAXHRC-QHCPKHFHSA-N 392.451 4.476 0 1 GIAF CCCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1F 28642941 JUOIQKKPRSMZAG-UHFFFAOYSA-N 376.439 4.288 0 1 GIAF O=C(c1cccc2[nH]ccc12)N1CCc2c(cnn2-c2ccccc2Cl)C1 28708545 ITYISUFNKIWWCG-UHFFFAOYSA-N 376.847 4.206 0 1 GIAF COc1ccc(Cl)c(-c2nnc3sc(-c4ccnc(Cl)c4)nn23)c1 28712874 UNOIYQIVRADZJD-UHFFFAOYSA-N 378.244 4.230 0 1 GIAF O=C1Nc2ccc(-c3ccncc3)cc2C1(c1ccc(O)cc1)c1ccc(O)cc1 28884068 VEOCUPMQNPJMEC-UHFFFAOYSA-N 394.430 4.446 0 1 GIAF Cc1cc(NC(=O)Nc2ccc(-c3nccc4[nH]nc(N)c34)cc2)ccc1F 29129652 IKVHXRUWPCZXMS-UHFFFAOYSA-N 376.395 4.299 0 1 GIAF COc1c(OCCF)cccc1[C@@H](O)C1CCN(CCc2ccccc2)CC1 40949867 URDKULLWSBXHPQ-QFIPXVFZSA-N 387.495 4.032 0 1 GIAF Cc1nc2cc(-c3cc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)ccc2s1 84707667 ZJTXTUXHHBDBKQ-UHFFFAOYSA-N 395.509 4.319 0 1 GIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3ccc(O)cc3)C[C@@H]1O2 95553451 FJWUSMYDQXICMB-LFRPXUGBSA-N 381.472 4.024 0 1 GIAF COC[C@@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 138920654 FQYDPVHTDBTRPO-QGZVFWFLSA-N 376.460 4.485 0 1 GIAF C[C@]1(c2cccc(NC(=O)c3ncc(Cl)cc3Cl)c2)CCSC(N)=N1 169687400 AYXQTOHSSLPRLR-QGZVFWFLSA-N 395.315 4.308 0 1 GIAF CC[C@H](C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ccn1 169709767 YMQWHDBHMSAPFE-PNLZDCPESA-N 397.519 4.114 0 1 GIAF COC(=O)[C@@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2c3ccccc3O[C@H]21 299813873 VVOONWVRIYRRAY-ISPGTDMUSA-N 380.415 4.264 0 1 GIAF Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)ccc12 299822751 OWFLELTUFLWGEB-UHFFFAOYSA-N 398.875 4.266 0 1 GIAF COc1ccc(C=O)c2cc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)oc12 586903808 OGBCYHKGXCRGNL-UHFFFAOYSA-N 396.712 4.259 0 1 GIAF CC(C)(SCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)C(=O)O 586959200 MFCIEBRMSPWIQE-UHFFFAOYSA-N 397.216 4.441 0 1 GIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccccc1[C@@H]3C(=O)O 586989729 DCGXLQKDLUOYIW-SFHVURJKSA-N 379.371 4.349 0 1 GIAF Cc1csc(SCc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)n1 587021195 IYBGDKZUSQGBBW-UHFFFAOYSA-N 380.498 4.386 0 1 GIAF Nc1c(-c2nc3cccc(C(=O)O)c3[nH]2)sc2cc(Br)ccc12 587032887 VKBCCGNMYKNEKI-UHFFFAOYSA-N 388.246 4.488 0 1 GIAF COCCN1C(=O)CC[C@H](c2nc3ccc(O)cc3[nH]2)[C@H]1c1ccccc1Cl 587062755 KRLMMYPLARICBL-MGPUTAFESA-N 399.878 4.016 0 1 GIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(F)c2[nH]1 587112907 LOTKHJBLVDQSGZ-KRWDZBQOSA-N 383.320 4.260 0 1 GIAF Cc1cnc2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc2c1 587230174 AMRRYPVGGVKWTM-UHFFFAOYSA-N 387.443 4.156 0 1 GIAF c1ccc(CNc2ncccc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587230375 UCJNZXAYYAIYKK-UHFFFAOYSA-N 399.498 4.069 0 1 GIAF COc1cncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587338275 NSJJUPXSDAJTOB-IFMALSPDSA-N 379.387 4.209 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(c3ccccc3)Oc3cc(N)ccc31)O2 587392035 WBWHEUBGUYMVHW-XMMPIXPASA-N 384.435 4.454 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(C)c2Oc2cc(O)cc(O)c21 587406684 DDKSMMCTRVCZJJ-HSZRJFAPSA-N 389.407 4.312 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3ccccc3)Cc3[nH]c(=N)sc31)O2 587415742 WKPPSIYNFOHLBC-PEBXRYMYSA-N 391.496 4.037 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-n3cncn3)cc1Cl)CC2=O 587460518 GSFYIQKZEXBWJY-OAQYLSRUSA-N 397.862 4.459 0 1 GIAF O=C1C[C@]2(CCCN(C(=O)c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587514193 MIQZPWMFPTWJJZ-DEOSSOPVSA-N 375.468 4.206 0 1 GIAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC[C@@H]1CO1 587535916 PDNXFNXDRAACJI-BXKMTCNYSA-N 394.467 4.232 0 1 GIAF Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1ccco1 587581751 MGZDEHWKNWONEQ-KNQAVFIVSA-N 388.379 4.089 0 1 GIAF COc1ccc2c(c1)OCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587607114 GDTVOEPJLPBKDW-NFBKMPQASA-N 390.391 4.040 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(cnn3C)c2)N1 587755513 AKHOWHHAHUIPEE-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2N(C)C)N1 587757387 USCVTCLEIKZRCG-CWTRNNRKSA-N 377.301 4.452 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3nn(C)cc23)N1 587757696 HNMKSLZLODFKOL-JEOXALJRSA-N 388.284 4.273 0 1 GIAF CCc1oc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)OC 587828627 OOZBSORPPSIPEK-VVVCHXIZSA-N 396.256 4.154 0 1 GIAF Cc1ccnc2c1CCN[C@H]2c1c(C)c(C(=O)c2ccccc2)n2ccccc12 963074961 YWMSCXLADSIWPT-QHCPKHFHSA-N 381.479 4.417 0 1 GIAF Nc1ncccc1[C@@]1(c2cc(F)cc(F)c2)c2ccc(F)cc2C[C@@H]2CCCN21 963117203 XUYZKAGUOOQGOI-WMZHIEFXSA-N 395.428 4.394 0 1 GIAF OC[C@@H](Cc1ccccc1)NCc1nc2cccc(OCC3CCCCC3)c2[nH]1 1857606588 ZZBQFMULLSNPMI-HXUWFJFHSA-N 393.531 4.215 0 1 GIAF CC(=O)n1cc(C(=O)Nc2cc(C(=O)O)ccc2NCC(C)C)c2ccccc21 1857629150 DMEVUWVIJOWKKG-UHFFFAOYSA-N 393.443 4.320 0 1 GIAF COC(C)(C)[C@@H](O)CCC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12 2356397037 DXUCGAHPDLXISA-IBGZPJMESA-N 386.444 4.430 0 1 GIAF CC(=C[C@H](O)CC(C)=CCCc1ccoc1)CC[C@@H](O)[C@]1(C)CCC(=O)O1 2356401063 RUOCTYFLHGRTMP-SJBKTWHCSA-N 376.493 4.093 0 1 GIAF CC(=O)OCC1=CC[C@@](C)(c2cc(Br)c(C)cc2OC(C)=O)[C@@H]1C 2356433936 ZJBRKOVNMIPAKM-CWTRNNRKSA-N 395.293 4.470 0 1 GIAF COc1ccc([C@@](C)(NC(C)=O)c2nc(-c3ccccc3OC)cs2)cc1 61904484 OWWSDNBASJKQMN-OAQYLSRUSA-N 382.485 4.227 0 3 GIAF COc1ccc(NC(=S)NCCC2CCN(Cc3ccccc3)CC2)cc1 3785371 IYLKATHCAPZRTO-UHFFFAOYSA-N 383.561 4.284 0 1 GIAF CN(C)C[C@@H]1c2ccccc2CCN1C(=O)Cc1ccc(Cl)c(Cl)c1 13823965 XOVBJTUJGIYBMN-LJQANCHMSA-N 377.315 4.224 0 1 GIAF CCn1ccc2cc(C3=NC[C@H](c4cc(OC)c(OC)c(OC)c4)O3)ccc21 27524738 HLMDHNPTVWKIEP-HXUWFJFHSA-N 380.444 4.205 0 1 GIAF COc1ccccc1-c1cn2c(-c3ccccc3Cl)c(CN)c(C)nc2n1 64526819 NKSCHCKPZIJXAA-UHFFFAOYSA-N 378.863 4.492 0 1 GIAF COc1ccc(COC(=O)C2(c3ccc4ccccc4c3)CCNCC2)cc1 64559202 SVSIARMIMSMTEU-UHFFFAOYSA-N 375.468 4.213 0 1 GIAF C[C@H](C(=O)Nc1ccc2c(c1)OCC2)n1c(-c2cscn2)nc2ccccc21 73293948 WTYJTTONBVBGNX-CYBMUJFWSA-N 390.468 4.294 0 1 GIAF CCCCCNc1ncnc2c1nc(-c1cccnc1)n2CCc1ccccn1 82186414 NPUPYXJNVRXVBT-UHFFFAOYSA-N 387.491 4.128 0 1 GIAF COc1ccc(C(=O)Nc2cc(Sc3ncn[nH]3)c(O)c3ccccc23)cc1 96922648 AZZNFRCSHXVRII-UHFFFAOYSA-N 392.440 4.076 0 1 GIAF O=C(c1ccc(Oc2ncccc2-c2cncnc2)cc1)c1nc2ccccc2[nH]1 142604897 XJELFNKRUXTLJZ-UHFFFAOYSA-N 393.406 4.438 0 1 GIAF CC(=O)OC/C=C(\C)CC[C@@]1(C)[C@H](C)C[C@H](O)[C@@]2(C)C(C(=O)O)=CCC[C@H]12 165774665 VESVIOLXNFMXSV-FJRLOJCVSA-N 378.509 4.110 0 1 GIAF CCCCC1([C@H](O)/C=C/[C@@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 169315242 QXMPZYDJGKWCFG-GALZKTTASA-N 392.536 4.031 0 1 GIAF Nc1n[nH]c2cccc(-c3ccc4c(c3)OCCN4C(=O)Nc3ccccc3)c12 169350207 DZTDIEVKRWPYNO-UHFFFAOYSA-N 385.427 4.243 0 1 GIAF OCC1(CNCc2ccnc(-c3ccc(C(F)(F)F)cc3)n2)CCCCC1 204407189 VJBAUYXZYRYHDX-UHFFFAOYSA-N 379.426 4.195 0 1 GIAF COc1cc(CNCCc2ccncc2)ccc1OCc1ccc(Cl)nc1 299838851 WFFBVBMEMBICCG-UHFFFAOYSA-N 383.879 4.050 0 1 GIAF C[C@]12CC[C@@H]3[C@H]4CC[C@@](C)(O)C[C@@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Cn1cccn1 299851858 KTFRBKXLNKKPEA-XAMKQDTLSA-N 384.564 4.472 0 1 GIAF Clc1cccc(N2CCN(c3noc(-c4ccc5[nH]ccc5c4)n3)CC2)c1 473152169 SIJKYZBVWJPBCP-UHFFFAOYSA-N 379.851 4.198 0 1 GIAF Nc1cc2c(cc1-c1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)OCO2 586987831 SBZDJUCQFGXJOQ-UHFFFAOYSA-N 382.375 4.130 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(F)cc(F)c2[nH]1 586999603 ALJUCKTVYQKKEZ-ZDUSSCGKSA-N 391.219 4.327 0 1 GIAF Brc1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587006684 NQKPGHWMUGTGCG-UHFFFAOYSA-N 392.054 4.403 0 1 GIAF Cc1nc(Br)sc1-c1nc2ccc(Br)c(O)c2[nH]1 587012353 WPLRCQHYBVEGOZ-UHFFFAOYSA-N 389.072 4.225 0 1 GIAF Cc1c(Br)cc2nc(CSc3nnc(S)s3)[nH]c2c1C 587025289 KMOPBNSMHNIRQX-UHFFFAOYSA-N 387.353 4.375 0 1 GIAF CCOc1ccccc1[C@](N)(c1nc2cc(OC)c(C)cc2[nH]1)C(F)(F)F 587092485 NLPIEYCVEYCGET-SFHVURJKSA-N 379.382 4.043 0 1 GIAF C[C@@H](F)[C@@H](N)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587124360 NJOZNJKUVGBCPR-YMTOWFKASA-N 380.345 4.192 0 1 GIAF N=c1[nH]c2nc(-c3sc(-c4ccccc4)nc3C(F)F)nc-2c(Cl)[nH]1 587128091 FRGHCRFXWMIMOE-UHFFFAOYSA-N 378.795 4.099 0 1 GIAF O=S(=O)(c1ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc2c1)C(F)(F)F 587131040 VYCJUZNRNYDKQV-UHFFFAOYSA-N 392.305 4.125 0 1 GIAF COC(=O)c1ccnc2[nH]c(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)nc12 587139194 ARGSYYABLBVMDR-UHFFFAOYSA-N 389.386 4.420 0 1 GIAF O=C1C[C@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)CN1Cc1ccc(F)cc1F 587148232 GUWXGHZDGAXSIM-VIFPVBQESA-N 397.212 4.059 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587192531 VEKDWRLINPWQAP-MSOLQXFVSA-N 395.463 4.243 0 1 GIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587242050 OAHMVNXXUQEQNB-UHFFFAOYSA-N 378.791 4.470 0 1 GIAF O=C1c2ccc(O)cc2OC2([C@H]3CC4C[C@H]2CC(O)(C4)C3)[C@H]1c1ccc(F)cc1 587356349 PBHVDUXDFNSTDL-OUFAMFRBSA-N 394.442 4.200 0 1 GIAF CCN1CCC[C@@H]1Cn1c(C)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1C 587388648 FBQPGUKVODGYEG-VGOFRKELSA-N 381.520 4.186 0 1 GIAF CC[C@]1([C@@H]2CCCCN2C(=O)OC(C)(C)C)CC(=O)c2cc(C)cc(N)c2O1 587395169 KUGWBOPRZAHXEX-PGRDOPGGSA-N 388.508 4.481 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](CCc1cncc(Br)c1)CC2=O 587459807 PVVPMUVXQUPNFL-CQSZACIVSA-N 390.277 4.469 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1C 587475401 NXYZSIVRPRQHAY-RCDICMHDSA-N 389.492 4.326 0 1 GIAF Cc1ccc2c(c1)[C@@]1(C=C(C(=O)O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587534389 ZYPQBTAPCUNVPF-QHCPKHFHSA-N 376.408 4.095 0 1 GIAF COc1cc(F)cc(OC)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566690 ALZOVJLFGHIORM-UGKGYDQZSA-N 396.370 4.251 0 1 GIAF C[C@H](N(C)C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574193 VUFLGXZNNIOOCL-FBOFTVOISA-N 389.451 4.199 0 1 GIAF CC(=O)Nc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587575501 CIUGGQBZTSNLMD-REWPJTCUSA-N 389.407 4.228 0 1 GIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc2ccccc2c1 587650222 HHKLOEGFEHQHLF-UHFFFAOYSA-N 378.453 4.285 0 1 GIAF CC(C)C(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704307 IIOVGINPKJUAAL-VFZGTOFNSA-N 396.222 4.495 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](c3cnn(C)c3)C2(C)C)N1 587761003 SALCWJXDUZFQCU-KOXAJKMWSA-N 392.316 4.265 0 1 GIAF COc1cccc(OC)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587805334 FYSLZDYXVCCDMO-WYRIXSBYSA-N 394.284 4.403 0 1 GIAF CC(C)C1=CC=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)C1 587822901 NHSXZBXPRHCBTQ-HXPMCKFVSA-N 378.285 4.429 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H]1CC[C@@]2(C)C1(C)C 587829156 QVMJKZYGOKAJNN-NXRORBGOSA-N 380.301 4.343 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H](CC(=O)O)C2(C)C)N1 587832590 ZGGCJKPPVMZNMA-YRBUEPHCSA-N 398.316 4.475 0 1 GIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1cn(Cc2ccc(Cl)cc2)nn1 963112022 WKQPEXIVENUOAF-NQIIRXRSSA-N 382.870 4.229 0 1 GIAF CCCCC[C@]1(c2ccc(O)cc2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963227249 GDMSHNIBGMEOKH-ISKFKSNPSA-N 390.483 4.363 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1ccccc1)c1cc(N)ccc1C 963609152 MDMDWJLBQBPNQP-NSYGIPOTSA-N 388.511 4.421 0 1 GIAF c1ccc(COc2ccc3[nH]c4c(c3c2)CCN[C@@]42CCc3cccnc32)cc1 963818862 UKTFEZJDRYKDGJ-RUZDIDTESA-N 381.479 4.477 0 1 GIAF Cc1ccc([C@H]2C[C@@H](C)CN(C(=O)CC3CCN(C)CC3)C2)c2cccnc12 1857652841 SAROIEHZOPJNAD-XLIONFOSSA-N 379.548 4.227 0 1 GIAF Cc1c(CN2CCOCC2)cc(-c2ccc(C(C)C)cc2)n1CCCC(=O)O 1857764638 HRZCIMZCSFZHLZ-UHFFFAOYSA-N 384.520 4.284 0 1 GIAF Cc1cc(Oc2cc(C)cc3c2C[C@H](C(C)(C)O)O3)c2c(c1)O[C@H](C(C)(C)O)C2 2356693090 XBQWKMGDQPZNKX-SZPZYZBQSA-N 398.499 4.245 0 1 GIAF CO[C@H]1O[C@@H](OC)C2=C1[C@@]1(C)CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]1CC2 2356791335 GONHLEBMRHPYFF-FXDHADADSA-N 378.509 4.366 0 1 GIAF CCOc1ccc(-c2cc(C)[n+](CCO)c(-c3ccc(OCC)cc3)c2)cc1 838915 KUKDJPBYVDDYDY-UHFFFAOYSA-N 378.492 4.406 0 3 GIAF COc1ccc([C@@H]2C[C@@H](c3ccc(-c4ccccc4)cc3)Nc3nnnn32)cc1 2916355 IHJBTOPODLBHCM-VXKWHMMOSA-N 383.455 4.495 0 1 GIAF CN1C(=O)[C@@H](NC(=O)c2cc3cc(-c4ccccc4)ccc3[nH]2)Cc2ccccc21 13587907 VEXJZPDEENFCNR-QFIPXVFZSA-N 395.462 4.152 0 1 GIAF COc1cc(OC)c(-c2oc3cc(O)cc(O)c3c(=O)c2CC=C(C)C)cc1O 14648310 BSOHKHJORVDTBW-UHFFFAOYSA-N 398.411 4.103 0 1 GIAF biogenic,in-vitro O=C(c1ccc(Cl)cc1)n1c2c(c3cc(S(=O)(=O)O)ccc31)CCCC2 28119583 NCZBASZHPDEIFR-UHFFFAOYSA-N 389.860 4.109 0 1 GIAF COc1ccc([C@H]2CC3(N(C)C)CCNC2[C@@H](c2ccc(OC)cc2)C3)cc1 40413448 HXGYTLATAQPYNJ-SSPWFOHLSA-N 380.532 4.027 0 1 GIAF CC(C)Cc1ccc2[nH]c(N3CCC4(CC3)OC(=O)c3ccccc34)nc2c1 40975313 DXSXMMCFAAKZCW-UHFFFAOYSA-N 375.472 4.428 0 1 GIAF CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(N4CCCC4=O)c3CC[C@@H]21 45365727 XVAIBFITQWHLML-NZQKXSOJSA-N 396.918 4.107 0 1 GIAF O=C(O)C1CCN([C@@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)CC1 64454016 YSGLQQUCJIOYSX-RDGATRHJSA-N 375.512 4.420 0 1 GIAF O=C(N[C@@H]1CCC[C@H](O)C1)c1onc(-c2ccc(C(F)(F)F)cc2)c1Cl 72175269 HNIFHZWIBYCCKB-NEPJUHHUSA-N 388.773 4.047 0 1 GIAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccccc1F 82150700 KOIAUGNTVOQHCH-IFXJQAMLSA-N 382.483 4.413 0 1 GIAF COc1ccc(C2=Cc3n[nH]c(O)c3[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 103182726 KEMXYDIFFFYKMK-QGZVFWFLSA-N 378.428 4.217 0 1 GIAF CCc1ccc([C@@H]2C[C@H](NC(=O)NC(C)(C)C)CN(C(=O)C3CCCC3)C2)cc1 114341266 ZNFJCDBBFZBHED-RTWAWAEBSA-N 399.579 4.221 0 1 GIAF C[C@@H](C(=O)Nc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1)c1ccccc1 164798151 REQSCPKUQWXMLT-CQSZACIVSA-N 384.439 4.071 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc(OC(F)F)cc1 167311200 OPDJWYZBEUMZKV-BBRMVZONSA-N 391.414 4.415 0 1 GIAF CN1C[C@@](O)(c2ccc(-c3nc4ccccc4s3)cc2)O[C@@H]2CCCC[C@@H]21 169370231 MQFQMFCHONDGDU-JQVVWYNYSA-N 380.513 4.382 0 1 GIAF CN(C)CCCn1cc(-c2ccc3c(c2)CC[C@@H]3N=O)c(-c2ccncc2)n1 169686126 YNOFAPGWJZOOII-NRFANRHFSA-N 375.476 4.318 0 1 GIAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@H]1c1ccc(OC)cc1 198497556 ZRFBSEQPZCOTTA-VABKMULXSA-N 398.551 4.093 0 1 GIAF O=c1cc(NCCCNCc2cc(C(F)(F)F)cs2)[nH]c2ccccc12 230568658 SSEFBZUXINYJEA-UHFFFAOYSA-N 381.423 4.200 0 1 GIAF C[C@H](CC[C@@]1(C)C2=CCCC(C)(C)[C@@H]2CC[C@H]1C)CC(=O)OC[C@H](O)CO 238736212 JTMLGRLVXYZNAO-RRFSAMJTSA-N 380.569 4.488 0 1 GIAF O=C(O)[C@H]1[C@](Br)(c2ccccc2)[C@]1(Br)c1ccccc1 263604572 OTXLGBBKQMNCTE-RBVVOMGSSA-N 396.078 4.282 0 1 GIAF COc1ccc(C(=O)N(C)c2ccc3[nH]c(-c4n[nH]c5ccccc45)cc3n2)cc1 299863284 KSUWMQZJJLNORW-UHFFFAOYSA-N 397.438 4.391 0 1 GIAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(Br)ccc2O[C@H]31 473089039 JZWWBOUXPMSTNF-LJQANCHMSA-N 399.244 4.029 0 1 GIAF Clc1nccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587017657 NHJJHDVBVSCMFT-UHFFFAOYSA-N 378.848 4.449 0 1 GIAF Cc1c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074743 WYZFJBXCOALYJC-UHFFFAOYSA-N 392.772 4.245 0 1 GIAF COc1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1OC 587127034 KZPDMICJARBDHO-UHFFFAOYSA-N 378.310 4.022 0 1 GIAF CCOc1cc(/C=C\c2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1OC(F)F 587130099 KCQXMRXTPRYCRT-MPYGFJLXSA-N 388.374 4.457 0 1 GIAF O=C1CCc2cc3[nH]c(C(=O)c4c(Cl)ccc(F)c4Cl)nc3cc2N1 587132476 BSUOJAVMUGWXCW-UHFFFAOYSA-N 378.190 4.125 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1 587161799 DOJRGRQAOJKKKG-DLBZAZTESA-N 387.480 4.004 0 1 GIAF CC(=O)N[C@H](Cc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(C)cc1 587205563 CCBYCYLHOZVKBU-OAHLLOKOSA-N 390.256 4.193 0 1 GIAF COc1ccc(-c2nnc(-c3ccc4nc(-c5c(N)cccc5O)[nH]c4c3)o2)cc1 587250414 OLMBSCKUGSBAPU-UHFFFAOYSA-N 399.410 4.243 0 1 GIAF CC(C)Oc1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2c1 587259351 FELDDKYFEBCBJJ-SFHVURJKSA-N 396.491 4.057 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ccc(O)cc2Oc2cc(O)ccc21 587407495 ISVYIGYNVIAEAC-UHFFFAOYSA-N 375.380 4.003 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCCC(=O)O)cc1)CC2=O 587485425 WJAKRPSTBZHULT-HSZRJFAPSA-N 398.455 4.469 0 1 GIAF O=C1C[C@@H](c2cc(I)c[nH]2)Oc2c1ccc1c2CCCC1 587507013 QAGSJHHSXYNOPA-INIZCTEOSA-N 393.224 4.205 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-n2cccn2)cc1 587581141 KESFOUOJDNZVHY-OFNKIYASSA-N 384.391 4.281 0 1 GIAF COCOc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594544 OMNUKTYSBFEQOS-NFBKMPQASA-N 392.407 4.252 0 1 GIAF Cc1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1O 587655925 IFPOUTNAQGZEAL-UHFFFAOYSA-N 392.361 4.044 0 1 GIAF C[C@@H](Oc1ccccc1)C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658674 SFSYTVKYCUTAMK-OAHLLOKOSA-N 388.398 4.310 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ncnc2Cl)N1 587704164 IDZUUZLYEYTCJL-SREIQFSDSA-N 391.071 4.309 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587725520 QSBHTAYCCXYIEN-HUTHGQBESA-N 396.231 4.138 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccc(F)cc3[nH]2)N1 587731845 LJFDKLLFIUBXKA-PWJLMRLQSA-N 378.220 4.227 0 1 GIAF CCN(C)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587742933 VBNSMCATPGHUCH-BBATYDOGSA-N 378.289 4.063 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2-c2ccccc2)N1 587755617 BCJUQBRFJYDVDO-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF CCc1nn(C)c(CC)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587758595 QXNBGZDQQSPWOO-XTZNXHDOSA-N 380.305 4.070 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCN2C(=O)OC(C)(C)C)N1 587760453 JZSTZXSRGIGXGS-VFVAKGGASA-N 399.304 4.173 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(Cc3ccccc3)C2)N1 587769773 QEYHEOGOIPFKGY-JLTOFOAXSA-N 389.312 4.224 0 1 GIAF COc1ccc2[nH]c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2n1 587802362 LRTZDVWTDNYFMD-YYSFKGJASA-N 390.256 4.097 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@]1(C)CC[C@H]2C1(C)C 587816959 GMEIZAJQKRURFS-BDIMYLIUSA-N 380.301 4.343 0 1 GIAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 587938178 UHVJJUJHQKWCED-MCMMXHMISA-N 388.471 4.240 0 1 GIAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cn(-c2ccccc2)nc1C(=O)OC 963236214 XUARDIPTZZNQBS-SBUREZEXSA-N 389.499 4.405 0 1 GIAF COc1ccc(C(=O)CC(=O)CC2CCN(Cc3cccc(C)c3)CC2)cc1O 1772589296 FNJZKCFCIULQJC-UHFFFAOYSA-N 395.499 4.153 0 1 GIAF O=c1oc2ccccc2cc1-c1nnc2n1N=C(c1ccc(Cl)cc1)CS2 1857543642 BDRVSODDJIUMRK-UHFFFAOYSA-N 394.843 4.063 0 1 GIAF O=C(O[C@H]1CCCc2nc(Nc3ccc(Cl)cn3)sc21)n1ccnc1 1857649833 KVIGTEHIOZOPCL-LBPRGKRZSA-N 375.841 4.194 0 1 GIAF N[C@@H]1CCC[C@@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc5ccccc45)c3c2)C1 1857746744 WKHKPYJZGLRMEQ-IAGOWNOFSA-N 399.498 4.338 0 1 GIAF CC(=O)OCC(=CC(=O)O)CC[C@@H]1[C@H](C(=O)O)C=C[C@@H]2C(C)(C)CCC[C@]12C 2356381902 FPDJDCMZKOAFLL-OZQHCQBDSA-N 392.492 4.060 0 1 GIAF O=C(c1cc(F)cc(F)c1)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 201474349 KRMGFAILXPTSOG-NSHDSACASA-N 375.400 4.096 0 3 GIAF COc1ccccc1CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 767812 VTHSYEYBJSARJY-TZIWHRDSSA-N 392.480 4.165 0 1 GIAF NC1=N[C@@H](c2ccc(Oc3ccccc3)cc2)N(c2cccc(Cl)c2)C(N)=N1 13559310 AEUZJUMNQCESKW-LJQANCHMSA-N 391.862 4.281 0 1 GIAF COc1c(O)c(C)c(C)c(O)c1/C=C(\CCCCCc1cccnc1)C(=O)O 13604379 TWBGJNGSZHAQFK-SFQUDFHCSA-N 385.460 4.389 0 1 GIAF Cc1ccccc1/C(=C/COCCN1CCC[C@@H](C(=O)O)C1)c1ccccc1 13801371 DPAXGUSNJFSGPN-GWJNGDFSSA-N 379.500 4.240 0 1 GIAF O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccs2)c1=O 25412915 BLASGQXRWVCFAB-CVEARBPZSA-N 391.496 4.228 0 1 GIAF biogenic COc1ccc(C)cc1S(=O)(=O)Oc1cccc(OCCc2ccccc2)c1 27088230 JGXZAJFAKHWGNV-UHFFFAOYSA-N 398.480 4.393 0 1 GIAF CC(C)(C)c1ccc(NC(=O)N2CCN(c3nncc4ccccc34)CC2)cc1 28398298 BFISGDFFUCMHHU-UHFFFAOYSA-N 389.503 4.281 0 1 GIAF C[C@H](N)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28473282 DTALPIMAXWLLKW-INIZCTEOSA-N 378.495 4.409 0 1 GIAF O=C(O)c1ccccc1[C@@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708218 TWUUONUASYAYNH-HSZRJFAPSA-N 387.479 4.458 0 1 GIAF CCC[C@H](C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(OC)cc1 28823176 GFFWDASSKNDNQE-AWEZNQCLSA-N 397.924 4.225 0 1 GIAF CCc1nc2c(=O)n(Cc3ccccc3)nc(C)c2c2cc(-c3ccccc3)nn12 36242954 XJCFZDNOEIPPIC-UHFFFAOYSA-N 395.466 4.025 0 1 GIAF O=c1c2c(Cl)nccc2nc(-c2ccccc2O)n1CCc1ccccc1 43011369 FBOFJHVVWRLXBZ-UHFFFAOYSA-N 377.831 4.060 0 1 GIAF COc1ccc(-c2sc(COc3ccc(OCC(=O)O)c(C)c3)nc2C)cc1 49037261 RLAGLPPRVXODSQ-UHFFFAOYSA-N 399.468 4.478 0 1 GIAF O=C(c1ccccc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72186152 OJVPPJBPMUOWNF-QFIPXVFZSA-N 391.902 4.282 0 1 GIAF CCOc1ccccc1CNc1cc(-c2ccc(OC)c(OC)c2OC)ncn1 82167499 VIEQBFSCBZHBIS-UHFFFAOYSA-N 395.459 4.180 0 1 GIAF CC1CCN(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccc(F)cc2)CC1 82216403 IXJZDNWQBKGELN-UHFFFAOYSA-N 396.510 4.391 0 1 GIAF COc1cc(C(=O)N[C@H]2CCc3ccc(Cl)cc32)ccc1-n1cnc(C)c1 84587080 XKTDUDDXQKDGPH-SFHVURJKSA-N 381.863 4.260 0 1 GIAF COc1cc(-c2cc(=O)c3c(O)c(OC)c(O)cc3o2)ccc1OCC=C(C)C 84635557 ABZZDWBIZJSCNU-UHFFFAOYSA-N 398.411 4.233 0 1 GIAF biogenic COC(=O)[C@@H](C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1 100705924 DTODDPACPIXMKH-LLVKDONJSA-N 397.431 4.024 0 1 GIAF Cc1nn(Cc2ccc(NCc3ccc(Cl)cc3)cc2)c(C)c1CC(=O)O 113989949 LJGBZJNLMVROFN-UHFFFAOYSA-N 383.879 4.441 0 1 GIAF CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccc(F)cc1)CCCC3 169686272 YLHDGURHLCTIDP-QZTJIDSGSA-N 381.451 4.099 0 1 GIAF C[C@H](c1ccc2c(c1)CCN(C(=O)c1cc3cc(Cl)ncc3n1C)C2)N(C)C 299831160 AMQLOAKAHIONBV-CQSZACIVSA-N 396.922 4.048 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cccc(Cl)c2[nH]1)c1ccc(Br)cc1 586985534 NWGNIPVVPAZJLU-HNNXBMFYSA-N 392.684 4.399 0 1 GIAF Cc1c(F)ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 586999858 JKUXSCMKQKYAPG-UHFFFAOYSA-N 389.180 4.252 0 1 GIAF COc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587340943 UXHXKGVICGCVCY-IFMALSPDSA-N 379.387 4.209 0 1 GIAF CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443703 XFDFAWGWGFFWAO-PCQCASEHSA-N 386.488 4.207 0 1 GIAF COc1nc(N2CCCC2)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516154 YYNHJGSUOHFVLZ-FQEVSTJZSA-N 378.472 4.276 0 1 GIAF COc1ccnc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552334 QHCRXKMYSUGHNI-LPHOPBHVSA-N 383.787 4.152 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(F)cc(F)cc12 587569421 KXLXYDUYPNIVKV-SIKLNZKXSA-N 380.346 4.474 0 1 GIAF COc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587600073 KQCLOQMJYVAPJZ-OFNKIYASSA-N 376.408 4.364 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2C(=O)C(F)F)N1 587722048 XTLAOARFRHRFPR-MIHTYCSTSA-N 390.243 4.342 0 1 GIAF CC(=O)Nc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587739557 ASTUXVQGXPHXBX-JEOXALJRSA-N 391.284 4.479 0 1 GIAF Cc1ccn2c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c(C)nc2c1 587775891 URZGEMFPBAFXDA-VOJFVSQTSA-N 388.284 4.476 0 1 GIAF COC(=O)c1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cn1 587783653 DKMFSZFPOJIITF-XFXZXTDPSA-N 385.423 4.494 0 1 GIAF CCOC(=O)C[C@]1([C@@H](C)CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794811 GUKMYEUGISOGTD-OAVHHTNSSA-N 386.305 4.317 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc(O)ccc32)N1 587835157 VMTHDKVAKJMBPH-WYRIXSBYSA-N 376.269 4.408 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)O)s2)N1 587844483 ATHRKOMPTFNVGM-PWJLMRLQSA-N 384.270 4.146 0 1 GIAF CCCOC(=O)c1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874138 VHFSPIKYBBLDHV-UHFFFAOYSA-N 396.374 4.081 0 1 GIAF O=C(O)[C@@H]1CCC[C@H](C[C@@]2(c3ccccc3F)NCCc3ccc(O)cc32)C1 963343380 UYGXRAQQAPYDCO-JCEJCQQGSA-N 383.463 4.202 0 1 GIAF Cc1ccc(C[n+]2cn(Cc3c4c(cc5c3OCC5)OCC4)c3ccccc32)cc1 1772603988 RYJYVUMHJMRZJP-UHFFFAOYSA-N 397.498 4.204 0 1 GIAF Cc1nnc2n1-c1cnc(Nc3ccc(Cl)cc3)nc1N(C1CCCC1)C2 1857540171 MJWSNOSGGWHSNS-UHFFFAOYSA-N 381.871 4.025 0 1 GIAF O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CCCN(Cc2ncccc2O)C1 1857589727 JFLWOEZJLXVDDJ-FQEVSTJZSA-N 387.483 4.305 0 1 GIAF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]3C=C4C(=O)OC(=CCCCO)[C@@]4(CC3)[C@@H]21 2356364321 VOCQKLXHYNXMPD-QMPIHYFESA-N 396.483 4.100 0 1 GIAF COC(=O)C=C(C)CC[C@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@]2(C)C(C)=C[C@H](O)C[C@H]21 2356674466 JMMACFKOBKFRDJ-UJKDFQPHSA-N 392.536 4.197 0 1 GIAF CCNC(=O)[C@]1(C)CCCN(Cc2csc(-c3ccc(Cl)cc3)n2)C1 61927009 OKIDEFYTMZZKGO-LJQANCHMSA-N 377.941 4.202 0 3 GIAF CSc1c([S@@](C)=O)[nH]c2cc(Br)cc(Br)c12 1618224 RPUHYZCTFRSRAR-INIZCTEOSA-N 383.130 4.152 0 1 GIAF biogenic CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCCN1CCCC1 4212925 KCVPCUMMOFHMGW-WOJBJXKFSA-N 391.581 4.364 0 1 GIAF CN(C)c1ccnc2sc3c(=O)n(-c4ccc(C(C)(C)C)cc4)cnc3c12 13676110 JAMWASXNGUMPKR-UHFFFAOYSA-N 378.501 4.359 0 1 GIAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc4occc4c(C)c3C[C@H](OC(C)=O)[C@@H]21 14513281 KUDGKETXNRKTHI-JFJDKTSWSA-N 384.472 4.466 0 1 GIAF biogenic CO/C=C(/C(=O)OC)c1cc(Cl)ccc1Cn1cc(C2=CCCCC2)nn1 28822345 XOSWXMFPWXTXBI-QGOAFFKASA-N 387.867 4.098 0 1 GIAF O[C@@H](COc1cccc2ccccc12)CN1CCC(Oc2ccccc2)CC1 29203309 DZPUKTCTIGNFBU-HXUWFJFHSA-N 377.484 4.123 0 1 GIAF O=c1cc(-c2ccccc2)oc2cc(OC[C@@H](O)CNC3CCCCC3)ccc12 29557824 KYPTYCAVKQKONH-IBGZPJMESA-N 393.483 4.122 0 1 GIAF O=C(N[C@H]1CCN(c2ccnc3ccccc23)C1)c1cccc(C(F)(F)F)c1 45227446 NEZTYZLKZFROFG-INIZCTEOSA-N 385.389 4.262 0 1 GIAF CCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 82214901 OGUSQXPLPLYRMH-IYBDPMFKSA-N 384.499 4.295 0 1 GIAF CCOC(=O)CSc1nnc(-c2cccnc2SCc2ccccc2)o1 95589310 MNRMRPNGTKPFOP-UHFFFAOYSA-N 387.486 4.079 0 1 GIAF COc1cc([C@H](O)c2c(-c3cc[nH]c3)[nH]c3ccccc23)cc(OC)c1OC 95594624 YIDKQFGMXKRFAQ-NRFANRHFSA-N 378.428 4.271 0 1 GIAF CCN(CC)C(=O)[C@@H](Oc1ccccc1-n1cccc1)c1ccc(OC)cc1 96168032 GLJREWMDZNICFV-QFIPXVFZSA-N 378.472 4.474 0 1 GIAF COc1cc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)c(F)cn1 117445884 IFMNZLKDCPETDL-UHFFFAOYSA-N 395.413 4.151 0 1 GIAF COCCOc1cc(-c2ccc(-c3csc(NC(=O)C4CC4)n3)cc2)ccn1 145278690 QSXXWCFTDLJPBY-UHFFFAOYSA-N 395.484 4.246 0 1 GIAF CCOC(=O)[C@@H]1C(=N)Oc2ccc3ccccc3c2[C@@H]1c1ccc(O)c(OC)c1 169691587 XGKFCEKWCZLJTM-FPOVZHCZSA-N 391.423 4.235 0 1 GIAF C[C@@H]1c2ccccc2CCN1C[C@H](O)COc1cccc(CNC2CCCC2)c1 219775553 CZLTVGXHWMJBBI-XXBNENTESA-N 394.559 4.078 0 1 GIAF Cc1cc(F)ccc1-c1cncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)c1 261122573 JTCBRJYCKRYDTG-NRFANRHFSA-N 392.430 4.450 0 1 GIAF O=C(NCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1cc2c(s1)CCC2 587035033 MVPBLKDRSGDEGS-UHFFFAOYSA-N 383.370 4.201 0 1 GIAF CSc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587276733 SOOWZMKKTSDDBH-UHFFFAOYSA-N 378.247 4.036 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(NC(=O)C(C)(C)C)c(Cl)n1)O2 587379854 LKSCBVDKJJMKNT-MRXNPFEDSA-N 387.867 4.317 0 1 GIAF COC(=O)C[C@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587381744 KXJUSPQWJWWOKD-IBGZPJMESA-N 393.361 4.020 0 1 GIAF CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587396781 PGNOTHVABNLUGL-SFHVURJKSA-N 378.428 4.250 0 1 GIAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCCC1 587396871 WRSWTBYQLWMZCB-QHCPKHFHSA-N 380.488 4.062 0 1 GIAF CCOc1cc(Br)ccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416669 FAJACXNQKCBDJU-AUUYWEPGSA-N 389.245 4.345 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1nc4cc(C(F)(F)F)ccc4n1C)[C@@H](C2)C3=O 587423622 UFFNLCJPSOURSN-SGTLLEGYSA-N 388.345 4.089 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(OC(F)F)c(OC)c1)[C@@H](C2)C3=O 587424483 ZDYYUUJULSPIGN-APPDUMDISA-N 396.773 4.447 0 1 GIAF C[C@]1(c2ccccc2N2CCOC2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587512844 FYTDVZJVRHRVPF-HSZRJFAPSA-N 377.440 4.403 0 1 GIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)n1 587552238 OZOXAPUYLXDRGN-PXNSSMCTSA-N 383.787 4.152 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc2ncccc12 587588028 RIUSIJBLZZUQIT-NFBKMPQASA-N 385.375 4.349 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(NC(=O)OC(C)(C)C)CC2)N1 587744757 SSHHLLTYYGSVOO-ZUZCIYMTSA-N 399.304 4.221 0 1 GIAF Cc1ccc2nc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cn2c1 587771100 BKFFJQGBQUSGJE-HXPMCKFVSA-N 388.284 4.342 0 1 GIAF Cc1cccc2c1NCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587791092 FGDKOHRQGXXRQV-CWTRNNRKSA-N 375.285 4.490 0 1 GIAF CCOC(=O)C[C@@H]1CCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587800494 YCVNRYFRQCWTFA-SUFBMKPHSA-N 384.289 4.071 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2C(=O)O)N1 587826380 KRTJHNBSDDIRKZ-MLCYQJTMSA-N 378.241 4.084 0 1 GIAF COc1cc(C2(c3nc4c(F)cnc(Br)c4[nH]3)CC2)ccc1C 587927561 QZLRFFBZKMLKSD-UHFFFAOYSA-N 376.229 4.256 0 1 GIAF O=S1(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(Cl)c2[C@H](O)C1(F)F 1857632784 SPOHUQUKAIBKHQ-ZDUSSCGKSA-N 399.173 4.338 0 1 GIAF COC(=O)C1=CCC[C@H](C(=O)OC)[C@H]2C[C@@H](CCC(C)=CCC1)C(C)(C)O2 2356466124 UIOPZIKIYCIVFP-CEXWTWQISA-N 378.509 4.359 0 1 GIAF COc1cc(CCC(=O)C[C@H](CC[C@H]2C=CC=C[C@@H]2C)OC(C)=O)ccc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n1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccnc3)nc21 3815354 SJHLMHPRVRNIFW-UHFFFAOYSA-N 398.253 4.441 0 1 GIAF Cc1nn(CCCC(=O)N2C[C@H](C)C[C@@H](C)C2)c(=O)c2c1sc1ccccc12 6799391 HJCOJGFQNMDDHB-HUUCEWRRSA-N 397.544 4.204 0 1 GIAF CCOC(=O)c1ccccc1NC(=O)Nc1ncccc1OCc1ccccc1 13680197 MZKIIUFSGBRKMD-UHFFFAOYSA-N 391.427 4.481 0 1 GIAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@H]([C@@H](C)C(=O)Nc1ccccn1)C2 25206595 YWKWMCFVGQMSMA-MJGOQNOKSA-N 395.547 4.019 0 1 GIAF biogenic O=C(O)CCNC(=O)[C@@H](CC1CCCCC1)C[C@H](CC1CCCCC1)C(=O)O 26508095 NJLBECLJORBIQZ-OALUTQOASA-N 395.540 4.225 0 1 GIAF CC[C@H](C)N(C[C@@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@@H](C)CC 27707067 YNGZJSALRCLELM-XAMWDVODSA-N 380.960 4.091 0 1 GIAF CC(C)CN1C[C@H](CNCCc2c[nH]c3ccc(F)cc23)Oc2ccccc21 28571169 SBHYFFVEUPXWKL-IBGZPJMESA-N 381.495 4.363 0 1 GIAF CC(=O)Nc1cc(C)nc2ccc(NC(=O)Nc3ccc(C(C)=O)cc3)cc12 40394330 RCEDUBKHKVJXMU-UHFFFAOYSA-N 376.416 4.348 0 1 GIAF CCN(CC)[P@](N)(=O)O[C@H](C[C@@H]1NC(C)(C)C[C@H](C)O1)c1ccccc1 40690415 YTSDEBSCKWKCGY-ZERSTARUSA-N 383.473 4.046 0 1 GIAF COc1cc(-c2n[nH]c3ccnc(-c4ccc(F)cc4)c23)cc(OC)c1OC 82078942 GSQTZVYWLWMXLO-UHFFFAOYSA-N 379.391 4.457 0 1 GIAF COCCCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2cccc(C)c2)n1 82145064 HHULNIYYLSXQGE-FXAWDEMLSA-N 396.535 4.209 0 1 GIAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccccc2F)C1 82152320 RQRWZNZAACFDOU-IAGOWNOFSA-N 396.510 4.391 0 1 GIAF CC(C)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1C[C@@H]1CCCO1 82188685 XBQCJUFHWDYJAR-AEFFLSMTSA-N 379.508 4.344 0 1 GIAF CCC(=O)Oc1ccc(-c2csc3c2-n2cccc2C3=O)cc1OC(=O)CC 89456654 VUVZENLGDDXIHX-UHFFFAOYSA-N 395.436 4.381 0 1 GIAF O=c1c2cc(Cl)ccc2n(Cc2ccccc2)c(=O)n1CC1CCCCC1 95561119 ARKFVWUSNSFSOV-UHFFFAOYSA-N 382.891 4.445 0 1 GIAF CCCNC[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1 95794447 KOXCBNLBJCZVJF-WXFUMESZSA-N 396.575 4.099 0 1 GIAF CC(=O)O[C@@H]1CCN([C@@H]2CCCC[C@@H]2OCCc2cccc3ccccc23)C1 142322408 CAIVRDJURSBDII-JRFVFWCSSA-N 381.516 4.348 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@@]4(C)[C@@H]3CC[C@]21C 169713476 ARCONGNMKCTCRP-LXUYYHBKSA-N 388.596 4.382 0 1 GIAF CC(=O)Nc1ccc(Cl)c(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1 203004295 NMXATACGVASWPW-UHFFFAOYSA-N 383.843 4.176 0 1 GIAF O=C(c1cccc(Cl)c1Cl)N1CCc2c(ncnc2-c2nccs2)C1 219466367 WWKIYKPWNKOBLW-UHFFFAOYSA-N 391.283 4.105 0 1 GIAF COc1cc(CCNCc2cccc3cc[nH]c23)c(OC)cc1Br 473097934 DUQFSCNNWPPXLW-UHFFFAOYSA-N 389.293 4.280 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586888307 INZGNQHYULYTNP-JUBNYVGKSA-N 387.549 4.109 0 1 GIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586971913 BHJXLYZMJPYWPF-AWEZNQCLSA-N 395.315 4.375 0 1 GIAF CCOC(=O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017280 IPYBVEYOURHVAX-UHFFFAOYSA-N 391.452 4.465 0 1 GIAF Cc1c(F)ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587018457 CIHQTRGSAJUMKZ-UHFFFAOYSA-N 381.432 4.496 0 1 GIAF N[C@H](Cc1cscn1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587028941 BWJJBUIZBJDLBK-MRVPVSSYSA-N 391.216 4.043 0 1 GIAF Nc1c(-c2nc3ccc(CCO)cc3[nH]2)sc2cc(Br)ccc12 587031766 PNUIKNRZRIAOFC-UHFFFAOYSA-N 388.290 4.324 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3ccc(C(=O)OC)cc3[nH]2)[C@@H]1c1ccccc1Cl 587060723 DABBHPBEYOCJIZ-KUHUBIRLSA-N 397.862 4.080 0 1 GIAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4c(N)ccnc4[nH]3)c(Cl)cc12 587078079 HBDPQZJOZDYNTO-JTQLQIEISA-N 398.850 4.392 0 1 GIAF Cc1ccc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c2n1 587230693 HTKOJGWUDZGWPF-UHFFFAOYSA-N 387.443 4.156 0 1 GIAF O=C(/C=C\c1nc2c(Cl)c(Br)cnc2[nH]1)Nc1ccccc1 587243913 JZIWAPNPOWAVDY-SREVYHEPSA-N 377.629 4.026 0 1 GIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccnc(Cl)c2[nH]1 587258311 GMDIMGLHVBIUGL-HNNXBMFYSA-N 379.851 4.183 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CCC[C@H]1CN(Cc1ccccc1)C2 587400041 OAPKAEUQOLNVOK-OALUTQOASA-N 376.500 4.213 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2ccc(C(F)(F)F)cc21 587464526 RZRCEPBLPGRORP-LJQANCHMSA-N 391.345 4.176 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)([C@@H](C)c1ccccc1)CC2=O 587483152 VLVXAKZZUFIKAA-NPMXOYFQSA-N 382.456 4.416 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccc(OC)cc3nc1O)CC2=O 587488822 KJIMHKSLQYSBED-HXUWFJFHSA-N 379.412 4.314 0 1 GIAF CCC[C@@]1(/C(=C/N(C)C)C(=O)OCC)CC(=O)c2ccc3c(c2O1)CCCC3 587513740 UEUDSLFDHQJBSB-UWUFYVNFSA-N 385.504 4.078 0 1 GIAF COC(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587592272 JQHFBRJLLINPJF-XXBNENTESA-N 390.391 4.056 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCOCc1ccccc1 587596801 PABTZQULNFGYOR-FPOVZHCZSA-N 376.408 4.329 0 1 GIAF COc1ccc(Br)cc1-c1[nH]c2cccc(F)c2c1CC(=O)O 587632102 FXFFOYWNADZEES-UHFFFAOYSA-N 378.197 4.372 0 1 GIAF Cc1cc(-n2cccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)no1 587754731 MHTAIISHVZYHES-YPMLDQLKSA-N 390.256 4.299 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nc(O)oc3c2)N1 587778684 OHZAIJBXFFBNKK-YYSFKGJASA-N 391.240 4.233 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(C(=O)O)C3(C)C)N1 587825467 DSNYMPOKHZHACI-UDYRRMRCSA-N 396.300 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc4c(c32)CCO4)N1 587836911 YRPRYBULWUTBMJ-PRWKNARSSA-N 388.280 4.247 0 1 GIAF c1ccc(CC2CCN(CCCN3CCN(c4ccccc4)CC3)CC2)cc1 653743752 KCPRNASEOVRNMY-UHFFFAOYSA-N 377.576 4.153 0 1 GIAF COc1ccc(-c2c[nH]nc2[C@@H]2c3cc(OC)c(OC)cc3C[C@H](C)N2C)cc1 962621730 HURLAGZXRWHTGO-PSLXWICFSA-N 393.487 4.068 0 1 GIAF C[C@]1(c2nc3ccccc3n2Cc2ccccc2)NCCc2c(C(=O)O)cccc21 963130579 KCFAPVMVGINDIK-VWLOTQADSA-N 397.478 4.192 0 1 GIAF CC(=O)O[C@@H]1CCN([C@H]2CCCC[C@H]2OCCc2cccc3ccccc23)C1 1772582311 CAIVRDJURSBDII-YFNKSVMNSA-N 381.516 4.348 0 1 GIAF N[C@H](Cc1ccc(Cl)cc1)c1csc(N=c2[nH]ncc3ccccc23)n1 1857577703 ASPYAYFFVODSLV-MRXNPFEDSA-N 381.892 4.148 0 1 GIAF CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@H]1c1ccco1 1857581225 BIFOEFHLFLMIBN-AWEZNQCLSA-N 377.322 4.024 0 1 GIAF c1ccc(OCCNC[C@@H]2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 1857609637 ABAMCUWCUXLAEL-DEOSSOPVSA-N 389.495 4.362 0 1 GIAF O=C1CN(C(=O)c2ccccc2F)[C@H](c2ccccc2)c2cc(F)ccc2N1 2456690 ACPDRERUXACFGP-OAQYLSRUSA-N 378.378 4.149 0 3 GIAF CCCOc1ccc(F)cc1-c1cc(C(=O)Nc2ccc(OC)c(OC)c2)[nH]n1 61906585 JMHFBASLAALNDY-UHFFFAOYSA-N 399.422 4.274 0 3 GIAF COc1ccc([C@@H]2CC[C@@H](OCCCn3c(C)nc4cnccc43)O2)cc1OC 3801615 KKDADHNDCVRXHS-UGKGYDQZSA-N 397.475 4.041 0 1 GIAF CC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)OCc1cc(C)cc(C)c1 13736248 JVGLPNAFXMQTND-QHCPKHFHSA-N 375.468 4.247 0 1 GIAF O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccccc2)ccc1=O 25232732 MTGYSZBOWDWUQB-MJGOQNOKSA-N 385.467 4.167 0 1 GIAF biogenic O=C(Nc1ccc(F)cc1F)[C@@H]1C(=O)N2c3ccccc3Oc3cccc1c32 26158000 VAYZAOXVEMTKCG-GOSISDBHSA-N 378.334 4.471 0 1 GIAF CC(=O)OCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl 71317254 FVSBLLBPZDBTEY-UHFFFAOYSA-N 382.243 4.386 0 1 GIAF CC(=O)Oc1ccccc1-c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1 72181221 IPMWNZGUIWBQJK-UHFFFAOYSA-N 382.441 4.378 0 1 GIAF O=C1Nc2ccccc2/C1=C\NCCCNc1ccnc2cc(Cl)ccc12 102814192 KZJSKZMQNIYWDZ-GHRIWEEISA-N 378.863 4.273 0 1 GIAF Cc1nc(NC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)sc1-c1ccc(N)nc1 103131220 COAOLJMLZGYFOT-UMSPYCQHSA-N 384.427 4.403 0 1 GIAF COC(=O)C[C@@H]1[C@@H](Cc2ccccc2)C[C@H]2[C@H](Cc3ccccc3)C[C@@H]1N2C 103225769 XXQUTIIQIQULCG-JTKSJCOOSA-N 377.528 4.360 0 1 GIAF NC(=O)c1cccc2c(NCc3ccc(Cl)c(C(F)(F)F)c3)ncnc12 114348285 BXSXPCFESWIUHR-UHFFFAOYSA-N 380.757 4.013 0 1 GIAF COC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C(F)(F)F)nc1 142476951 XJRWKCPGEHIXTF-UHFFFAOYSA-N 378.306 4.121 0 1 GIAF O=C(O)c1ccc2c(c1)-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O 586991259 SAUHEQSQVFIDCY-UHFFFAOYSA-N 379.371 4.421 0 1 GIAF CCn1cc(Br)c(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)n1 586999854 DNPVDSRPAMNJBZ-UHFFFAOYSA-N 391.166 4.291 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(CO)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 587026735 MJOXMALBOJZJCQ-VDGAXYAQSA-N 395.528 4.192 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3cccc(C(=O)OC)c3[nH]2)[C@@H]1c1ccccc1Cl 587061063 IVRVAKWBIGZRBQ-KUHUBIRLSA-N 397.862 4.080 0 1 GIAF CC1=C(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[C@H](C)N2NC=NC2=N1 587098195 VWOXLUNAJUJVDK-AWEZNQCLSA-N 393.450 4.092 0 1 GIAF Cc1ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2c1 587154814 RQDLAWSIMRXLQO-UHFFFAOYSA-N 381.432 4.478 0 1 GIAF CCOC(=O)C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348230 NCYMMBNPQCXRCE-RBBKRZOGSA-N 386.419 4.238 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@H]1CC[C@H](C(=O)O)CC1)O2 587385444 SSQJRLIVDBSYJF-GGOJBBCOSA-N 397.446 4.468 0 1 GIAF COc1cc2c3c(c1)O[C@@](C[C@@H](C)C(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587418479 BKBDDAYBNHQQKE-DBLBYYFGSA-N 386.831 4.102 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3C[C@H](C)O[C@@H](C)C3)nc1)CC2=O 587480987 XHEHPOQTWMQXOK-GXZWQRSESA-N 396.487 4.060 0 1 GIAF CCN1CCN(c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587512796 FIWFJWWGTMCVJA-DEOSSOPVSA-N 390.527 4.414 0 1 GIAF CN1C(=O)CCc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587518290 FAMJSVFLFAKMMK-DEOSSOPVSA-N 375.468 4.355 0 1 GIAF Cc1noc(C2CCC3(CC2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)n1 587585530 FMGKAOODQMFWBK-PYGWLIJMSA-N 392.411 4.142 0 1 GIAF COC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1NC(=O)OCc1ccccc1 587631612 QOBGTFJQZUEMRZ-UHFFFAOYSA-N 390.798 4.425 0 1 GIAF O=C(c1cc(F)cc(F)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658111 GGVPUKVTZNNZOH-UHFFFAOYSA-N 380.325 4.169 0 1 GIAF CC(C)[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587702037 DGESJJWTKUSFGY-PSLIRLAXSA-N 396.222 4.495 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@@H]2CCCC2=O)(C(F)(F)F)N1 587710889 UXKODINCLNUKPX-FFTROKDMSA-N 394.206 4.249 0 1 GIAF Cc1cc(C(=O)[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587720127 RFCVTXZOTFIMEC-QGHHPUGFSA-N 380.232 4.494 0 1 GIAF CC(C)NC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587756940 SMSQLEOUJJRITC-JLTOFOAXSA-N 391.328 4.364 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nn(C)c3ccccc23)N1 587766775 XBZBNYILRFRUPG-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF CCC[C@H](C)OC(=O)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587793345 NPRXEKIEIOMDRU-FTLABTOESA-N 386.305 4.460 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc[nH]c32)N1 587804553 ROKLIIJPISMLLA-MGNBDDOMSA-N 378.289 4.062 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)OCO3)N1 587831831 AEKFDHYOABYJNX-XTZNXHDOSA-N 378.241 4.115 0 1 GIAF Cc1ccc2c(c1)OC[C@]1(CO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836704 XLCXZOOWNFLDNW-BUXKBTBVSA-N 392.268 4.098 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCc1c(C)n[nH]c1C 587864006 VPEXBAMIQIOBPY-UHFFFAOYSA-N 392.381 4.190 0 1 GIAF Brc1c[nH]c2nc([C@@H](Cc3ccccc3)c3ccccc3)nc-2n1 587956243 OYSLRJZQXYCIAG-HNNXBMFYSA-N 379.261 4.442 0 1 GIAF Cc1ccc(O)c([C@@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)n1 961780606 WAZGMYNHUYVJKO-NRFANRHFSA-N 395.503 4.336 0 1 GIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](Cc2ccccc2Cl)N1 962690432 AGWHQNMRXOIQGX-HOTGVXAUSA-N 387.760 4.381 0 1 GIAF O=C(O)c1cc(F)c([C@@H]2c3ccsc3CCN2Cc2ccco2)c(F)c1 962714317 ZEDZAIJEXNRVQI-SFHVURJKSA-N 375.396 4.465 0 1 GIAF CC(C)C1CCN(C(=O)[C@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1 12385989 NMTROKVMNIWMTD-IBGZPJMESA-N 390.955 4.016 0 3 GIAF O=C1[C@@H](C2CCCCC2)[C@@H]2c3ccccc3C=NN2[C@@H]2c3ccccc3C=NN12 203465081 PUZIWVSNHQZBOC-VABKMULXSA-N 384.483 4.462 0 3 GIAF C[C@@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O 13298432 GDUPBUZZJUIEDX-QCPNHMKVSA-N 378.512 4.453 0 1 GIAF COc1ccc(CCN[C@@]2(Cc3ccccc3)C[C@@H](C)N(C)C[C@@H]2C)cc1OC 13590279 GOTLBDMBTPMJPE-WZOHSFFVSA-N 396.575 4.178 0 1 GIAF CCCC[C@]1(CC)CS(=O)(=O)c2cc(O)ccc2[C@@H](c2ccccc2)[C@H]1O 13672949 HKOMRBZBGBHSFR-YPAWHYETSA-N 388.529 4.259 0 1 GIAF N[C@@H](NC1CC1)c1ccc(-c2ccc(-c3ccc([C@H](N)NC4CC4)cc3)o2)cc1 19329485 YKBBTHHMEIPZMC-PSWAGMNNSA-N 388.515 4.032 0 1 GIAF in-vitro C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O 34986953 YRBVLOVGZCCAQL-FIJLXMTKSA-N 380.484 4.146 0 1 GIAF biogenic Cn1cc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)CC(C)(C)C4)CCO3)cn1 40379053 DOXMXCDQRVNCQX-UHFFFAOYSA-N 394.500 4.229 0 1 GIAF COc1ccc([C@H](Cc2ccc(C(F)(F)F)cc2)c2cn(C)c(N)n2)cc1 45261087 DVSAFYDQSGWQHQ-KRWDZBQOSA-N 375.394 4.404 0 1 GIAF COc1ccc(-c2ccnc3[nH]nc(-c4cc(OC)c(OC)c(OC)c4)c23)cc1 82078965 RDJACGLJIRNBPX-UHFFFAOYSA-N 391.427 4.326 0 1 GIAF FC(F)(F)c1ccnc(Nc2cccc(-c3cccc(N4CCNCC4)c3)n2)c1 84706169 FCPDILGNMHIWJE-UHFFFAOYSA-N 399.420 4.316 0 1 GIAF in-vitro CCOC(=O)C[C@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 84757465 BVOZTBCOMSOLRD-GOSISDBHSA-N 385.529 4.134 0 1 GIAF CCN1CC2=C(NC(=S)N[C@@H]2c2ccccc2C)/C(=C/c2ccccc2C)C1 96282935 AQDAARKFMNDVFK-UOCRBVKVSA-N 389.568 4.495 0 1 GIAF COc1ccc(NC2=NN(C(=O)COc3cccc(C)c3)C(C)(C)S2)cc1 103193490 GYRJWHPTPQSWHR-UHFFFAOYSA-N 385.489 4.077 0 1 GIAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3OCCNC4)no2)cc1Cl 139988502 ZIKCKGOPRBKLAG-UHFFFAOYSA-N 385.851 4.326 0 1 GIAF O=C(C[C@H](C(=O)NC1CCCCC1)n1ccnc1)c1cccc2c1CCCC2 169333850 MSJXSLKFFKQYOV-OAQYLSRUSA-N 379.504 4.025 0 1 GIAF CN(CCCN1CCN(c2ccc3ccccc3c2)CC1)c1cccc(O)c1 169339912 UWBWDAJPEWLOCH-UHFFFAOYSA-N 375.516 4.194 0 1 GIAF O=C(O)C[C@@H]1CCN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 253917021 BEAHZBHBRZMAIL-PZGSVQSZSA-N 375.512 4.420 0 1 GIAF C[C@H](CCC(=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 253986348 DGABKXLVXPYZII-PLMGYWLBSA-N 392.580 4.478 0 1 GIAF Cc1cc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c(C)n1 587018757 NVYOFEXYLPZLSJ-UHFFFAOYSA-N 378.457 4.060 0 1 GIAF CC(C)Oc1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2c1 587143713 FANVWWGQRHEKOI-OAHLLOKOSA-N 392.272 4.494 0 1 GIAF CCOC(=O)CC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344032 BJGLYJGIFVNQEB-GGAORHGYSA-N 398.430 4.382 0 1 GIAF CCOC(=O)C[C@@]1(c2ccc(OCC)c(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587400156 OKGVTQMTWIWATI-HSZRJFAPSA-N 397.471 4.098 0 1 GIAF COC(=O)c1sc2ncc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2c1C 587415244 QRUBGUQICIMBFQ-OAQYLSRUSA-N 396.468 4.163 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4cscn4)cc1)[C@@H](C2)C3=O 587454059 UOZNZNVIRKHJFR-UWJYYQICSA-N 379.437 4.219 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C(=O)O)(c1c(C)[nH]c3ccccc13)CC2=O 587481751 HPAWCQFYFCVJAY-JOCHJYFZSA-N 379.412 4.080 0 1 GIAF C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H]2CCCC[C@H]2N1 587590809 AVXISJAYPRLPQV-KPATZDDRSA-N 379.456 4.033 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCNC(=O)OC(C)(C)C)N1 587755821 PIVIWHATAUOMDR-BMIGLBTASA-N 387.293 4.078 0 1 GIAF CC[C@@]1(c2ccc(C(=O)O)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587825722 IEMXVOYBSPYTQS-WLRWDXFRSA-N 392.268 4.474 0 1 GIAF Cc1nc(N(C)C)sc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587854913 UNJAVGOKUPWRHC-RTHLEPHNSA-N 384.318 4.043 0 1 GIAF Cc1cnc(-c2cnn3c(=O)cc(-c4ccc(Cl)c(Cl)c4)[nH]c23)s1 653684243 LFMHYXJRWQFTLY-UHFFFAOYSA-N 377.256 4.428 0 1 GIAF CCC[C@H](C)[C@]1(c2ccccn2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962981745 WGKFCQYZBPACNL-UYHHGJEOSA-N 394.849 4.292 0 1 GIAF Cc1ccnc2c1CCN[C@]2(c1cccc(CN2CCC2)c1)c1ccccc1F 963066309 GNPZTOQCUGQHMY-RUZDIDTESA-N 387.502 4.172 0 1 GIAF O=C(O)[C@H]1C[C@H](C2=CCCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 1772624317 KJGLZIKUPDWSJQ-PKOBYXMFSA-N 382.847 4.056 0 1 GIAF CC1=C[C@H](CNCCN(C)C)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356322296 OEOHUZDXIRKCGR-BHDDXSALSA-N 396.579 4.285 0 1 GIAF COC(=O)CC[C@]1(C)C2=C(CC[C@@H]1[C@H](C)O)[C@@H]1CC[C@H](C(C)=O)[C@@]1(C)CC2 2356558476 AYPDMGOMQQLQMP-DDLMITCESA-N 376.537 4.449 0 1 GIAF Cn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Oc3cccc(Cl)c3)nc21 4238984 WYJIJLCDMHQTNJ-UHFFFAOYSA-N 399.237 4.490 0 1 GIAF Oc1nc2ccc(N3CCc4ccccc4C3)nc2nc1Cc1ccc(F)cc1 9635983 RPVRFKWUWBRKAR-UHFFFAOYSA-N 386.430 4.023 0 1 GIAF CC(C)(C)OC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26398419 NBHMWIWFTLXHNU-SPOFZMPASA-N 375.553 4.466 0 1 GIAF Cc1nn(-c2cccc(Cl)c2)c2c1c(N1CCN(C)CC1)nc1ccccc12 26746972 IVIWEVKOCHLRRM-UHFFFAOYSA-N 391.906 4.287 0 1 GIAF C[C@H](CCC(=O)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 33820857 CKCMSORCKFSHLL-CPTDALRPSA-N 392.580 4.478 0 1 GIAF COC(=O)C[C@H](c1ccccn1)[C@@H](C(=O)N(C(C)C)C(C)C)c1ccccc1 34986502 BSUSJWAHOYFFOL-KNQAVFIVSA-N 382.504 4.158 0 1 GIAF Fc1ccccc1NC(=S)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 504175501 AMMVHVUHCPVNCO-USNOLKROSA-N 385.552 4.418 0 1 GIAF biogenic CCc1ccc2nc(C[C@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 586983874 ADIXJTWHVOUZTQ-KRWDZBQOSA-N 386.293 4.308 0 1 GIAF Fc1c(Br)cc2nc(CSc3nnc(S)s3)[nH]c2c1F 587024966 HFYFKYSTOXSNDD-UHFFFAOYSA-N 395.279 4.036 0 1 GIAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(Br)nc2[nH]1 587026921 JZQFMDQVQRYJBH-UHFFFAOYSA-N 375.251 4.336 0 1 GIAF COC(=O)c1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587040512 HRHPKVVOUTVSNF-UHFFFAOYSA-N 386.498 4.407 0 1 GIAF COC(=O)c1cc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2cn1 587046410 SIKUEXJBKOGLBQ-UHFFFAOYSA-N 389.839 4.108 0 1 GIAF COc1ccc(C(=O)c2ccccc2-c2nc3cc4cn[nH]c4cc3[nH]2)cc1F 587144213 JTXFZNTXLSGQDJ-UHFFFAOYSA-N 386.386 4.485 0 1 GIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2c(Br)ccnc2[nH]1)C(C)(C)C 587204047 HIMPIPQZLVGNPT-LLVKDONJSA-N 397.317 4.202 0 1 GIAF CC(C)(C)OC(=O)N[C@H](c1nc2ccnc(Br)c2[nH]1)C1CCCC1 587223635 CQSQXDBAFHHLRE-LBPRGKRZSA-N 395.301 4.476 0 1 GIAF COC(=O)CCCC[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587386299 XJFZPOURTYYQPZ-QFIPXVFZSA-N 385.435 4.310 0 1 GIAF CCOc1ccc([C@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1C 587401753 XTMFUYZRJVMSFF-QFIPXVFZSA-N 383.444 4.010 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](C)C(=O)OCC)CC2=O 587477501 CQHOGMDMRZYART-WNSKOXEYSA-N 382.456 4.405 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1nc3c(s1)CN(C(C)C)CC3)CC2=O 587494840 MAQPJENGEZXDTA-GOSISDBHSA-N 386.517 4.274 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1COC(C)=O 587521778 CKOXBBMBPXYOQC-QFIPXVFZSA-N 380.440 4.344 0 1 GIAF Cn1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 587574068 AJMHUZMYGIENTI-WMZHIEFXSA-N 386.407 4.156 0 1 GIAF CCOC(=O)C[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595205 JWUDWDSNGWCVEK-XMSQKQJNSA-N 384.428 4.092 0 1 GIAF CC(=O)c1c(CCN2C(=O)c3ccccc3C2=O)[nH]c2ccc(F)c(Cl)c12 587632198 SLALLVQKCBTEAS-UHFFFAOYSA-N 384.794 4.002 0 1 GIAF CCOC(=O)[C@@]1(CC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792159 APCBKQZFDGLQAQ-ZMZPIMSZSA-N 386.305 4.317 0 1 GIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 587938177 UHVJJUJHQKWCED-DMZKTXOQSA-N 388.471 4.240 0 1 GIAF C[C@H](CCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1)CC(=O)O 587963007 MPMSAOBMJGBGOL-SSDOTTSWSA-N 395.175 4.267 0 1 GIAF Cc1c(F)ccc2c1[C@@]1(CCCCN(C(=O)OCc3ccccc3)C1)NCC2 962296470 GULWKBJJOLVYCX-QHCPKHFHSA-N 382.479 4.298 0 1 GIAF CC[C@@H](C)Oc1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)cc1Cl 962918633 IYXLSCPIPRHQMA-XNPNBVRTSA-N 377.843 4.345 0 1 GIAF CCOC(=O)c1c(Cl)cccc1[C@@H]1NCCc2cnc3c(OC)cccc3c21 963046933 MIWTYWCMNQIZOF-NRFANRHFSA-N 396.874 4.309 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1sc(-c2cccnc2)nc1C 963603982 CUSVEPURGURAEQ-MCMMXHMISA-N 395.528 4.328 0 1 GIAF CC1CCN(C2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 1857543682 HKGRZGVOTRHHPV-UHFFFAOYSA-N 398.572 4.239 0 1 GIAF Cn1c(C(=O)N[C@@H](c2ccccc2)[C@H](O)C(F)(F)F)cc2cc(Cl)ccc21 1857572363 UXTAMCXSVSNJBP-IRXDYDNUSA-N 396.796 4.226 0 1 GIAF O=C(CSc1nnc(Cc2ccccc2)s1)Nc1nc2ccccc2o1 1857761117 JXWAFYISJJSYCJ-UHFFFAOYSA-N 382.470 4.001 0 1 GIAF O=C(O)C[C@@H]1CCN(CCCc2ccccc2)C[C@H]1Cc1nc2ccccc2[nH]1 2356387243 MRSWWSHLDFMGHJ-VQTJNVASSA-N 391.515 4.151 0 1 GIAF O=C(CC1CCCC1)N1CC[C@H]2[C@H](CCCN2Cc2cc(F)cc(F)c2)C1 199407879 LFGSROHHWIZTSB-NQIIRXRSSA-N 376.491 4.358 0 3 GIAF Cc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)c2)c(C)c1 4893346 LERDLTLRPIETLD-GQSCTRQFSA-N 388.467 4.091 0 1 GIAF COc1cc2c(cc1OC)[C@H]1C[C@@](O)(CC(C)C)[C@H](CC(C)C)CN1CC2 13745393 ZBSZLVFJWBKRQS-XQFWAAQXSA-N 375.553 4.446 0 1 GIAF COc1c(O)c(CC=C(C)C)cc2c1OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4 14613154 DFYMDQGSLUSMGL-QRWLVFNGSA-N 382.412 4.248 0 1 GIAF biogenic NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccncc1 34066280 SVAHIJWZHJDMBM-UHFFFAOYSA-N 376.894 4.326 0 1 GIAF NCc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)o1 66101747 JIIUPPGUEJSBII-NRFANRHFSA-N 387.487 4.089 0 1 GIAF Cc1ccccc1[C@H](OC1CN(C(=O)N2CCCCC2)C1)c1cccnc1Cl 73278258 OGJPXBQFYXPTNO-FQEVSTJZSA-N 399.922 4.440 0 1 GIAF COc1ccc(-c2cc(N[C@@H]3CCc4ccccc43)ncn2)c(OC)c1OC 82167504 UALUCSZLRWZDDD-QGZVFWFLSA-N 377.444 4.269 0 1 GIAF O=C(Nc1ccc(F)cc1F)[C@H]1C(=O)N2c3ccccc3CCc3cccc1c32 100658413 GVIHCQGAPIJNIA-FQEVSTJZSA-N 390.389 4.464 0 1 GIAF CC(C)(O)CN1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 103303237 IVWIUEUINWDXLX-UHFFFAOYSA-N 393.453 4.474 0 1 GIAF COc1ccc2cc(CN3CCN(C(=O)Nc4ccccc4)CC3)ccc2c1 137453470 VOODDNMALWNZME-UHFFFAOYSA-N 375.472 4.198 0 1 GIAF Cc1cnc(-c2cc(F)ccc2F)cc1Nc1ccnc2cnn(C[C@H](C)O)c12 140518835 PQZIGFJNJYUDOU-ZDUSSCGKSA-N 395.413 4.204 0 1 GIAF COc1cc(/C=C/C(=O)OCCn2c(C)cc3ccccc32)cc(OC)c1OC 169348255 DGSCWXAQLDKUAP-MDZDMXLPSA-N 395.455 4.232 0 1 GIAF CC(C)CNC(=O)c1ccc(-c2ccc(CC(=O)NCc3ccco3)cc2)cc1 169351991 ZQQRKEJUSMDTPJ-UHFFFAOYSA-N 390.483 4.191 0 1 GIAF O=c1ccc2cc(-c3nc4cnc(C(F)(F)C(F)(F)F)cc4[nH]3)ccc2o1 586916582 JSSVEEUSCVUBMV-UHFFFAOYSA-N 381.260 4.385 0 1 GIAF O=[S@](CCCc1nc2cc(Cl)ncc2[nH]1)c1ccc(Br)cc1 586957752 BIABCNOFXJSADD-JOCHJYFZSA-N 398.713 4.114 0 1 GIAF COC(=O)c1cc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2cn1 587014989 VFIKARRJFXCPQO-UHFFFAOYSA-N 384.848 4.497 0 1 GIAF Cc1c(-c2nc3c(Cl)nc(Cl)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029264 KWEWLMNTXZETST-UHFFFAOYSA-N 392.271 4.414 0 1 GIAF Cc1onc(-c2nc3ncnc(Cl)c3[nH]2)c1COc1ccccc1Cl 587063567 PFEAOFLUAJANBF-UHFFFAOYSA-N 376.203 4.202 0 1 GIAF CCOC(=O)c1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587082765 VIARTOMEAXYJRS-UHFFFAOYSA-N 396.834 4.293 0 1 GIAF Fc1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)nc1Br 587155386 KSBKRQLGBISVDH-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Cl)ncc3[nH]2)c(O)c1 587240943 SDBJIBDZSCRLJV-UHFFFAOYSA-N 392.846 4.474 0 1 GIAF COC(=O)Nc1ccc(-c2nc3c(I)cccc3[nH]2)cc1 587244037 VWMKETANGWNFHU-UHFFFAOYSA-N 393.184 4.013 0 1 GIAF O=C(/C=C/c1nc2c(Br)cnc(Cl)c2[nH]1)Nc1ccccc1 587245001 ULQOUBNKCOPSBE-VOTSOKGWSA-N 377.629 4.026 0 1 GIAF CC(C)(C)OC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353420 ZDAUZTOVSKBZBE-UGKGYDQZSA-N 386.419 4.381 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cccn1Cc1ccccc1OC)[C@@H](C2)C3=O 587432802 ZGDJFNHKIYTFCJ-GAJHUEQPSA-N 375.424 4.042 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3nccn3C)cc1)CC2=O 587471807 VJZBWZWIFKTSAF-NRFANRHFSA-N 392.455 4.364 0 1 GIAF CCCc1c(O)ccc2c1OC(c1ccc(N)cc1)(c1ccc(N)cc1)CC2=O 587472571 KBMVRFYOECSETJ-UHFFFAOYSA-N 388.467 4.418 0 1 GIAF COc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCCCO2 587536907 YHBPCJAEWTXUOJ-HXUWFJFHSA-N 380.440 4.442 0 1 GIAF CCOC(=O)C[C@@]1(CC2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597701 RNDWVKOYOBUSIH-NZQKXSOJSA-N 396.439 4.236 0 1 GIAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608038 KBNYLSVQWQCDBM-GDXXPBPASA-N 394.423 4.004 0 1 GIAF COc1nc(Cl)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587613148 NZQRBUVAEOBKMO-DOMZBBRYSA-N 389.816 4.214 0 1 GIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1 587786937 TYGFIXHOSNPWBO-NWDGAFQWSA-N 389.224 4.408 0 1 GIAF COc1ccc(OC)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587806268 JKPVQISWBZZMRL-WYRIXSBYSA-N 394.284 4.403 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2C(=O)O)N1 587826383 KRTJHNBSDDIRKZ-YPMLDQLKSA-N 378.241 4.084 0 1 GIAF C[C@@H]1COc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587832741 CMHPNOURPYFLLT-HNYWDRBLSA-N 376.269 4.395 0 1 GIAF CCc1cc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)ccn1 587922515 DFAIFJDIOKXFMU-UHFFFAOYSA-N 387.530 4.220 0 1 GIAF COC(=O)c1cc(OC)n(CC[C@H](c2ccc(F)cc2)c2ccco2)c1OC 587945934 PODRNBYUNBQWLV-MRXNPFEDSA-N 387.407 4.246 0 1 GIAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4csc(-n5cccn5)n4)cc32)[nH]1 653754927 UDTKNRRITHEORS-YBEGLDIGSA-N 387.468 4.433 0 1 GIAF COc1ccc2c(c1)C1([C@H]3C[C@H]1CN(Cc1ccccc1)C3)N(C(C)C)CC2 962090510 LJBNTPICWGJHPA-VXKWHMMOSA-N 376.544 4.309 0 1 GIAF COCCOc1ccc2c(c1)[C@@](C)(CCCc1ccc(N(C)C)cc1)C(=O)N2 1772617444 UYAFPVLSXFOSGT-HSZRJFAPSA-N 382.504 4.011 0 1 GIAF O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cc3nc(N4CCCC4)ccc3[nH]2)C1 1857601617 WFLHQOVEFXLFAO-QGZVFWFLSA-N 392.478 4.322 0 1 GIAF COC(=O)N1CCCC[C@@H]1c1cc(C(=O)Nc2cccc3c2CCCC3)no1 61903277 HIVABYDEVBLXJE-GOSISDBHSA-N 383.448 4.099 0 3 GIAF CC[C@H](CO)Oc1cc(NC(=O)Cc2ccccc2F)c2ncn(C(C)C)c2c1 61949009 NPCVEQFNNZFZBF-MRXNPFEDSA-N 399.466 4.087 0 3 GIAF CC[C@@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2cccnc2)nc2ccccc21 199240482 GAACVLRAJOGDSJ-IBGZPJMESA-N 381.439 4.334 0 3 GIAF O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(-c2ccccc2)nn1 13863654 BABOAIFXWUHTHJ-UHFFFAOYSA-N 386.499 4.037 0 1 GIAF COC(=O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26390223 PMMRBDRYCOJUPT-IQPRIJBZSA-N 375.553 4.275 0 1 GIAF COc1ccc([C@@H]2[C@@H]([C@H](O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 29565623 JBUUXMRKJQWOHR-WXFUMESZSA-N 387.479 4.393 0 1 GIAF CCCc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC2)cc1 40917241 NDUMFVSNOPWSFO-UHFFFAOYSA-N 391.515 4.203 0 1 GIAF Cc1csc(Cn2c([C@@H]3CCCN(C4CCOCC4)C3)nc3ccccc32)n1 49125295 GYCWXDHHROKGSJ-QGZVFWFLSA-N 396.560 4.208 0 1 GIAF COc1c(-c2ccc3c(c2)OCO3)c(=O)oc2c3c(ccc12)OC(C)(C)C=C3 58590955 VUANFQDNPKCQFM-UHFFFAOYSA-N 378.380 4.382 0 1 GIAF biogenic,in-vitro Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1ccncn1 72177704 MHQXHRTWLNONSD-HXUWFJFHSA-N 378.863 4.478 0 1 GIAF CCCCNC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccco1 82141804 PRKFAKDSALJWQQ-UHFFFAOYSA-N 382.439 4.060 0 1 GIAF Cc1cccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)c1C 100705149 QDHKFQNGOBIFSS-UHFFFAOYSA-N 392.484 4.126 0 1 GIAF Cc1ccc(C(=O)Nc2cccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@H]4C3=O)c2)cc1 101896284 HMQHUXKCAGDWOY-UIAACRFSSA-N 376.456 4.173 0 1 GIAF N[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(Br)cc1 102785261 VODBTSQLPXGBCP-OAQYLSRUSA-N 388.674 4.035 0 1 GIAF CC(C)=CCC[C@@H](C)C1=C(O)[C@H](O)C(C)=C2N=C(c3ccccc3)C(=O)O[C@H]21 102956442 HQOVFKOOADNLBT-ZFGLAFRWSA-N 381.472 4.244 0 1 GIAF Cc1nc(NCCCC2CCN(C)CC2)ncc1-c1nc2c(C)c(F)ccc2[nH]1 114196335 AUWBEHSRDMALLO-UHFFFAOYSA-N 396.514 4.310 0 1 GIAF C[C@H](c1cccc2cnccc12)N1CCC(C(=O)NCc2cccc(F)c2)CC1 169312128 OJJUBNLUESFDRE-QGZVFWFLSA-N 391.490 4.463 0 1 GIAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2cncnc2)ccc1F 205961695 ORAYKFFRUFWWLX-UHFFFAOYSA-N 377.297 4.434 0 1 GIAF CN(C)CCc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 207637410 ZBAHSAJGAXMATF-UHFFFAOYSA-N 383.448 4.155 0 1 GIAF O=[S@](Cc1nc2cc3cn[nH]c3cc2[nH]1)C(c1ccccc1)c1ccccc1 586960890 QWPGTGVKNCOYDK-MUUNZHRXSA-N 386.480 4.478 0 1 GIAF Cc1ccc(-n2cnnc2SCc2nc3cccc(C(=O)O)c3[nH]2)cc1Cl 586968765 VWVQWSNQUQAANQ-UHFFFAOYSA-N 399.863 4.096 0 1 GIAF COC(=O)c1ccnc2[nH]c(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)nc12 587067912 URFYHJHVYJJVGY-UHFFFAOYSA-N 393.830 4.224 0 1 GIAF COC(=O)c1ccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1OC 587069417 KEOQJPWHVVXYBX-NSHDSACASA-N 386.835 4.388 0 1 GIAF CCOc1ccccc1[C@](N)(c1nc2cc(F)c(F)c(F)c2[nH]1)C(F)(F)F 587093855 YQTZLFHTQQYRLM-INIZCTEOSA-N 389.299 4.144 0 1 GIAF COc1cncc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c12 587145087 UNXARRPDZXYAAB-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF CCCOc1cc2nc(-c3cccc(N)c3C(=O)O)[nH]c2cc1Br 587248521 RVJOJACFOHHUQI-UHFFFAOYSA-N 390.237 4.062 0 1 GIAF Nc1cccc(O)c1-c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587249215 FKJNRBBBZHGKBR-UHFFFAOYSA-N 388.143 4.179 0 1 GIAF CC[C@@]1(CC(=O)O)Cc2ccccc2[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587409007 SVIOVKGVXYMMTJ-GOTSBHOMSA-N 379.456 4.255 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(CC(=O)OCC)cc1)CC2=O 587482617 PJTOEYXCZQONGH-HSZRJFAPSA-N 382.456 4.331 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C(=O)OC(C)(C)C)(C1=COCCC1)CC2=O 587491740 PMIRYQZOXRHRQR-QFIPXVFZSA-N 388.460 4.085 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)[nH]1 587548139 SGAPLVZMRALAOP-MAUKXSAKSA-N 386.201 4.186 0 1 GIAF COc1ccc(F)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567722 BIGOPBSZBMYILK-UGKGYDQZSA-N 380.371 4.417 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]ccc2Br)N1 587675702 AXCDFKLSMMPYII-FUXBKTLASA-N 388.078 4.302 0 1 GIAF CC(=O)c1cc(N)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587744033 GAUSRAWUZKAHSE-OVWNDWIMSA-N 391.284 4.171 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCNC(=O)OC(C)(C)C)N1 587751961 CGCGROXOISMFEF-MFKMUULPSA-N 387.293 4.078 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3cnn(C)c3c2)N1 587762203 XLUXUDWTWCVHIT-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF COc1ccc2[nH]nc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587799142 WMZKLIOFOCJFJP-YYSFKGJASA-N 390.256 4.097 0 1 GIAF CCOC(=O)c1ccsc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587846957 VMWYXKJEGVPPQT-PSLIRLAXSA-N 398.297 4.450 0 1 GIAF CC(C)(C)Oc1cc(Cc2ccccc2)c(O)n1-c1cc(O)cc(C(=O)O)c1 587926030 JUXBTPZMCDWIEL-UHFFFAOYSA-N 381.428 4.355 0 1 GIAF C[C@H](CCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1)CC(=O)O 587963394 VBZWHZSQVWGOPW-SSDOTTSWSA-N 395.175 4.267 0 1 GIAF COc1cc([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c(Br)cc1O 963103794 LOSRIQUKUNZUOP-ORAYPTAESA-N 392.268 4.412 0 1 GIAF CCCOc1ccc2c(c1)OC(C)(C)C[C@@]21NCCc2c(C(=O)O)cccc21 963121160 JNMXKYXFDICAEM-QHCPKHFHSA-N 381.472 4.124 0 1 GIAF CN(C)[C@H]1CN([C@@H]2CCc3cccc(F)c32)C[C@@H]1c1cn(C)c2ccccc12 1772626741 XAWMNFFOVCNWGF-PTUXOGIPSA-N 377.507 4.334 0 1 GIAF Cc1nocc1C(=O)NC[C@H]1CC[C@H](Oc2ccnc3c(F)cccc23)CC1 1772641610 YULZZVKVPFGIPY-SHTZXODSSA-N 383.423 4.038 0 1 GIAF Cc1noc(C)c1Cn1c(=O)nc(-c2ccccc2)c2c3c(sc21)CCC3 1857551519 LVDZADLZMMRRNB-UHFFFAOYSA-N 377.469 4.267 0 1 GIAF N=c1c(C(N)=O)c[nH]c2c(-c3cc(Nc4ccccc4)c4cn[nH]c4c3)cccc12 1857613591 SFXBPJVQGFTABI-UHFFFAOYSA-N 394.438 4.033 0 1 GIAF CC[C@H](C)C(=O)c1c(O)c(C)c(O)c2c1O[C@](C)(CCC=C(C)C)[C@@H](O)C2 2356552796 CNFWCPMUKRVISB-UMLSUDCWSA-N 376.493 4.436 0 1 GIAF COC(=O)C1=CC=C[C@H]2[C@@](C)(CCc3ccoc3)[C@@H](C)CC[C@]12COC(C)=O 2356619786 SYVYRCZGWRMKCF-NQCBNZPSSA-N 386.488 4.483 0 1 GIAF Clc1ccc(N2CCN(Cc3cnn4ccc5ccccc5c34)CC2)cc1 13862505 DUEAFIKCLDPEGV-UHFFFAOYSA-N 376.891 4.463 0 1 GIAF COc1ccccc1N1CCN(Cc2ccn(-c3cccc(C)c3C)c2)CC1 28114825 KFOQMGQHIVDANB-UHFFFAOYSA-N 375.516 4.425 0 1 GIAF O=C(CN1C(=O)S/C(=C\c2sc(Cl)nc2Cl)C1=O)c1ccccc1 28650473 IYTIHRXESWYNDA-WDZFZDKYSA-N 399.280 4.369 0 1 GIAF C[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc(Cl)c1Cl 28820549 JKXQNLJIDQSBHK-NSHDSACASA-N 383.300 4.384 0 1 GIAF O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(C(=O)C(F)(F)F)cc1 28880529 NVGFRDSPSYRPIY-UHFFFAOYSA-N 375.268 4.380 0 1 GIAF Cc1cccc(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1 34886729 FKFACVZGGDYEHZ-UHFFFAOYSA-N 376.445 4.288 0 1 GIAF CC(=O)c1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2ccc(C)s2)cc1 40011565 ZCSKEPWCQJRPFP-UHFFFAOYSA-N 398.528 4.355 0 1 GIAF CN(Cc1ccccc1F)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O 84729527 ZOOYNUNDPUONBJ-UHFFFAOYSA-N 389.430 4.271 0 1 GIAF COc1cc2c(cc1OC)[C@@H]1Cc3ccc4c(c3O[C@@H]1CO2)C=CC(C)(C)O4 95578808 NXVCCQDXHILFPP-YCRPNKLZSA-N 380.440 4.368 0 1 GIAF CN(C)C[C@@H]1CCSC(C(=O)c2ccccc2)(C(=O)c2ccccc2)S1 103292696 WNNKHRZQLMEXCI-SFHVURJKSA-N 385.554 4.249 0 1 GIAF CC[C@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@@H]1c1cccnc1 169343413 GZNSIDWQTBBAKS-QMTHXVAHSA-N 380.227 4.206 0 1 GIAF Cc1c(-c2nc3ncc(Br)c(Cl)c3[nH]2)oc2c1[C@@H](O)CCC2 586905061 GBNZOKCQRCPRHQ-QMMMGPOBSA-N 382.645 4.312 0 1 GIAF CN(Cc1nc2cc3ccccc3cc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928728 IYGZBLONWPTWBI-UHFFFAOYSA-N 385.876 4.190 0 1 GIAF Clc1cnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 586998413 IZYAUHHZZLUCIC-OWOJBTEDSA-N 378.613 4.273 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cncc(C)c3[nH]1)N2 587032999 WWTLFIIKXOEQAK-HKMIMPICSA-N 385.518 4.393 0 1 GIAF Nc1c(-c2nc3ccc(C(=O)O)cc3[nH]2)sc2cc(Br)ccc12 587033065 XPNZJTSAJVUGAA-UHFFFAOYSA-N 388.246 4.488 0 1 GIAF OC1(c2nc3c(Cl)c(Br)cnc3[nH]2)CCC(C(F)(F)F)CC1 587125517 GMNSHRKVHAOBEM-UHFFFAOYSA-N 398.610 4.314 0 1 GIAF FC(F)Oc1ccc(-c2nc3c(I)cccc3[nH]2)cc1 587129934 ABJYXNCVJVGNBF-UHFFFAOYSA-N 386.139 4.436 0 1 GIAF Cc1c(Cl)ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587149652 OYOAZTMXSDEWOV-LBPRGKRZSA-N 375.806 4.319 0 1 GIAF Oc1nc(O)c2cc3c(nc2n1)[C@H](c1ccccc1C(F)(F)F)CCCC3 587368942 XUODGHTUQLOPIE-LBPRGKRZSA-N 375.350 4.313 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OCc3ccccc3)[C@@H](C)C1)O2 587396177 QGELIUCIRBXQLB-HJPURHCSSA-N 394.471 4.102 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(N)c(N)c1)CC2=O 587472964 PADFCCBLJASIAZ-XMMPIXPASA-N 388.467 4.418 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCOC)c(OC)c1)CC2=O 587484730 UTLJJJUXPOMSDK-FQEVSTJZSA-N 386.444 4.085 0 1 GIAF C=CN1CCCC[C@@H]([C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587515152 QMXKSTFYUMBHLB-YKSBVNFPSA-N 379.500 4.452 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(OCCF)c1 587556907 PLIWUTDOFKEAJK-SIKLNZKXSA-N 380.371 4.443 0 1 GIAF Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)O 587613364 ZEAVUNDEBUOVCV-KNQAVFIVSA-N 390.391 4.410 0 1 GIAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(OC)cc1F 587629287 IQOKEEAFVLIVFD-UHFFFAOYSA-N 379.746 4.126 0 1 GIAF COc1cc(F)cc(F)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587714515 AIWGMJYOZBKSBN-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3nc(F)ccc23)N1 587738505 OYUNILWTXHHBIH-BCTVWOGZSA-N 378.220 4.227 0 1 GIAF CC(C)n1ncc2c1CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587761428 UGJBOHNQGCFZTO-BUXKBTBVSA-N 392.316 4.480 0 1 GIAF Cc1ccc2nc(C)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)n2c1 587771029 BDOPAUINUSJXDX-BBATYDOGSA-N 388.284 4.476 0 1 GIAF CC(=O)Oc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587810119 JXTPNYAGMPTRHL-MGNBDDOMSA-N 378.241 4.137 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(O)ccc3C2)N1 587834308 RLKIADMSQJKDFJ-NSPYISDASA-N 376.269 4.212 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Br)nc1 587866693 JRLOXVIVAVCZOI-UHFFFAOYSA-N 399.170 4.119 0 1 GIAF Cc1sc2c(c1C)CCN[C@]2(c1cccc(CN2CCOCC2)c1)C1CCC1 963014777 VACDQOHCCOWPRU-DEOSSOPVSA-N 396.600 4.387 0 1 GIAF COCc1cc([C@@H]2c3cc(OC)ccc3CCN2Cc2ccc(F)cc2)no1 963302391 NGSUFHJYHNVPIE-QFIPXVFZSA-N 382.435 4.116 0 1 GIAF O=C1CN(C(=O)c2ccco2)[C@@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1 2456392 GGNFBPXACPJKDM-IBGZPJMESA-N 384.794 4.256 0 3 GIAF CCOC(=O)[C@H]1CCCN([C@@H](c2ccccn2)c2c(C)[nH]c3ccccc23)C1 59827094 FPXBSNFPTGKXLT-JTSKRJEESA-N 377.488 4.236 0 3 GIAF Cc1ccc(CN2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C2=O)cc1 200053345 DHVIAGWUBMELKB-QHCPKHFHSA-N 386.495 4.459 0 3 GIAF Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3cccc(F)c3)c(=O)[nH]c2c1 1358571 ZFPKUBWJLXBZGT-UHFFFAOYSA-N 390.414 4.411 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@@H]4[C@@H]3CC[C@@H]12 1484373 RIGMJQYSJWLGJZ-DSLRJWDWSA-N 386.580 4.157 0 1 GIAF CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCCCOC 2482193 DKRQZZZEGJKVGD-UHFFFAOYSA-N 398.434 4.313 0 1 GIAF COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@H]23)cc1OC 13471262 SNUBHAJWZFBQHA-AMPINCQESA-N 375.515 4.106 0 1 GIAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc([C@H](C)O)oc12 26275455 VSLZRLVOASPJGZ-QMMMGPOBSA-N 381.215 4.449 0 1 GIAF CC(C)N(CCCCN)C(=O)c1c(Cc2ccc(O)cc2)[nH]c2ccccc12 28825885 KXVAWUJBOPKCRZ-UHFFFAOYSA-N 379.504 4.054 0 1 GIAF COc1cc(-c2ncn(C)c2-c2cc(F)c3c(ccn3C)c2)cc(OC)c1OC 29416865 DEDJQWZGAJSEOD-UHFFFAOYSA-N 395.434 4.411 0 1 GIAF O=C(O)CN1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1 49071173 XEQCXVDHGCIQKY-UHFFFAOYSA-N 396.878 4.056 0 1 GIAF O=C1C(=O)N(Cc2ccc(-c3cccnc3)cc2)c2ccc(OC(F)(F)F)cc21 64539936 TVBGDEAJLBFMIQ-UHFFFAOYSA-N 398.340 4.377 0 1 GIAF COc1cc(NC(=O)c2cscn2)ccc1NC(=O)c1ccccc1Cl 66077938 XMPKEIYDTXWNTM-UHFFFAOYSA-N 387.848 4.310 0 1 GIAF C[C@@H]1CCCN(C(=O)/C(NC(=O)c2ccccc2)=C(/Cl)c2ccccc2)C1 72177660 YYDXZEBBRPEUFC-DVSFIDLUSA-N 382.891 4.283 0 1 GIAF CCN(C)c1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccc(F)cc2)n1 82141246 YLRBUUFNFNXYRG-UHFFFAOYSA-N 398.869 4.322 0 1 GIAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F 82150732 FSIDJOFCUKTZSW-KXBFYZLASA-N 382.483 4.191 0 1 GIAF COC(=O)c1ccc(C2=C3C(C)=CC(C)=[N+]3[B-](F)(F)n3c(C)cc(C)c32)cc1 205877227 GUYUSFKVEHWMBK-UHFFFAOYSA-N 382.219 4.321 0 1 GIAF C[C@H](Nc1ccc(-n2ccnc2)cc1)C(=O)Nc1ccc(-c2ccccc2)cn1 221264953 XAVWODUOCISUJK-KRWDZBQOSA-N 383.455 4.373 0 1 GIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@]1(COC(=O)O1)C3 238761643 HRGBLXKHLLJXCT-QWXWNFLUSA-N 376.493 4.478 0 1 GIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]43C)[C@@H]1CC[C@H]2C(C)=O 299850685 WULADFNJWJZNOF-QBCVIEKRSA-N 376.537 4.138 0 1 GIAF CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NC(=O)C4CC4)c3)cc2s1 474609352 PZSXBURWEWVKIR-UHFFFAOYSA-N 386.864 4.319 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc-2[nH]1 586884532 QSAGNHWGHCJPIL-LMGVVVSRSA-N 375.476 4.090 0 1 GIAF FC(F)(F)Oc1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1Br 587085906 NJPXGGPUWWTOGN-UHFFFAOYSA-N 393.550 4.334 0 1 GIAF Cc1ccc2c(ccc3nc(CN(C[C@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c32)n1 587198163 ZTOFKMCHPNULKY-OAHLLOKOSA-N 396.491 4.336 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1c(C)noc1C)[C@@H](C2)C3=O 587436777 TUEHEXJGYGPXSO-GAJHUEQPSA-N 391.423 4.368 0 1 GIAF CC(C)(Br)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539399 WDQJUQLHNSLCLP-KDOFPFPSSA-N 377.234 4.286 0 1 GIAF Cc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)O 587613367 ZEAVUNDEBUOVCV-UGKGYDQZSA-N 390.391 4.410 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Cl)c2)([C@@H](C)O)N1 587696164 CXFQQNWQGCDDIN-YRUZYCQGSA-N 398.703 4.400 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccc(C(F)(F)F)n2)N1 587716348 UTCVNBSSEYOCPC-CPFSXVBKSA-N 390.178 4.021 0 1 GIAF COc1c(F)ccc(F)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587720512 NDTONWGGBFZEQZ-BCTVWOGZSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(F)cc(F)cc32)N1 587737815 HNFLRZYBYWITMG-YYSFKGJASA-N 398.222 4.427 0 1 GIAF COC(=O)c1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cn1 587783648 DKMFSZFPOJIITF-FMIVXFBMSA-N 385.423 4.494 0 1 GIAF COc1ccc2c(c1)[C@]1(CCN2)N[C@H](C)Cc2ccc(F)c(Br)c21 587789895 BULCYCAFUXCEDS-WYRIXSBYSA-N 391.284 4.190 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(O)ccc3C2)N1 587834913 UKPIPCIBWXTJII-WLRWDXFRSA-N 376.269 4.212 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C[C@@H]2CCCCC23OCCO3)N1 587840217 WUMQCNNZZRYIHE-UVBSCNOISA-N 398.316 4.487 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1n[nH]c2c1CCC2 587858985 FCVUEAGFCOXJHF-UHFFFAOYSA-N 391.258 4.156 0 1 GIAF C[C@H]1[C@H](C)C[C@]2(NCCc3c(C(=O)O)cccc32)[C@@H](C)N1Cc1ccccc1 963128125 ZRWSJGIFKQAFFA-AIYYMTJKSA-N 378.516 4.045 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2cc(F)cc(Cl)c2)(C2CC2)N1 963219178 CYMJSILFJQRXCG-RBBKRZOGSA-N 396.849 4.280 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccccc1)[C@H](N)c1ccccc1 963613753 VVKGOOVNJHIPCC-XNWMQKSCSA-N 388.511 4.182 0 1 GIAF O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(C3CCOCC3)ccc21 1857570206 SEZSWYOCLAOYGD-UHFFFAOYSA-N 394.471 4.069 0 1 GIAF N[C@@H](Cc1ccc(Cl)cc1)c1csc(N=c2[nH]ncc3ccccc23)n1 1857577702 ASPYAYFFVODSLV-INIZCTEOSA-N 381.892 4.148 0 1 GIAF CC(=O)OC[C@]1(C)C[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@](C)(CO)C=C3CC[C@@H]21 1857770296 GUWZMNOGGCIUGV-NENAYYCWSA-N 392.536 4.033 0 1 GIAF CC(=O)O[C@@H]1CCC(C)=C[C@@H]2OC(=O)C(C)=C2CCC(C)=CCC[C@@]1(C)O 2356329502 GLGCSFHERWMYPP-TUNNFDKTSA-N 376.493 4.158 0 1 GIAF COc1cc(C(=O)O[C@@H]2CC(C)=CCC3=C(C)[C@@](O)(C(C)C)C[C@H]32)ccc1O 2356633007 JYYOKKXDQOIMGH-XQFWAAQXSA-N 386.488 4.390 0 1 GIAF CC(=O)c1ccc2c(c1)CC[C@@H]1[C@@](C)(COC(=O)CCC(=O)O)CCC[C@@]21C 2356663043 RIVZOOCBMWTULA-PTUXOGIPSA-N 386.488 4.308 0 1 GIAF Cn1c(-c2ccsc2)cc2c(Nc3ccc(S(C)(=O)=O)cc3)nccc21 82082280 JSMAXKNOCRXSJM-UHFFFAOYSA-N 383.498 4.449 0 3 GIAF COc1cc(O)c2c(c1Cc1ccccc1O)O[C@H](c1ccccc1)CC2=O 13327545 YPZIHZGUQNBTAR-FQEVSTJZSA-N 376.408 4.404 0 1 GIAF biogenic COc1cccc([C@H]2c3cc4c(cc3O[C@H](N3CCCCC3)[C@H]2C)OCO4)c1O 31861163 NTGCRYUQXNVBHI-BKAZIGDYSA-N 397.471 4.102 0 1 GIAF O=C(Nc1ccncn1)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1 34891276 AHLQDZCJPCLDJM-UHFFFAOYSA-N 397.394 4.473 0 1 GIAF in-vitro CC(C)N(CC[C@](CCN1CCCCCC1)(C(N)=O)c1ccccc1)C(C)C 39254133 ZUVYGGFQYJOHSX-DEOSSOPVSA-N 387.612 4.185 0 1 GIAF CCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(Cl)cc1 40423325 JBJOHTROOZCJNV-FQEVSTJZSA-N 388.895 4.424 0 1 GIAF CC1(C)CC[C@H]2N=C(CCCN3CC=C(c4ccccc4)CC3)NC(=O)[C@H]2C1 40540472 IIAWNEDZKNPAQI-LEWJYISDSA-N 379.548 4.279 0 1 GIAF Cc1[nH]c2ccccc2c1[C@H](c1ccc(Cl)cc1)c1oc(CO)cc(=O)c1O 64549825 HWRSDMIKSQIJGV-FQEVSTJZSA-N 395.842 4.461 0 1 GIAF CC[C@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 71317519 UWPNKBCSKDRBJI-AWRGLXIESA-N 387.483 4.193 0 1 GIAF Cc1ccc([C@H](NC(=O)c2ccccc2O)C(=O)Nc2c(C)cccc2C)s1 71341703 AHTURLVFIJHCLS-FQEVSTJZSA-N 394.496 4.489 0 1 GIAF in-vitro CCOC(=O)c1nnc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)o1 73165566 OHGOSHZMMVPINW-KRWDZBQOSA-N 396.834 4.255 0 1 GIAF CCCCCNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(F)cc2F)cs1 82197880 LXOBALJANYOQGK-KRWDZBQOSA-N 379.476 4.364 0 1 GIAF CNc1ncc(C)c(-c2c[nH]c(C(=O)NCc3ccc(Cl)cc3Cl)c2)n1 89469236 KMCPSSMWWGACDI-UHFFFAOYSA-N 390.274 4.059 0 1 GIAF CCC1CCC2(CC1)S[C@@H](C)C(=O)N2NC(=O)C12CC3CC(CC(C3)C1)C2 95563291 MXYRSLRMTMSNLV-VXAOCQNFSA-N 390.593 4.494 0 1 GIAF C[C@]1(c2ccc(F)c(NC(=O)c3ccc4ccccc4n3)c2)CCSC(N)=N1 96174339 FQAMTABCBYLSGA-OAQYLSRUSA-N 394.475 4.293 0 1 GIAF O=C(O)[C@@H]1[C@@H](Cc2c[nH]c3ccccc23)CCN1C(=O)c1ccc2ccccc2c1 103255426 KJXIJMCTHOJNEM-JPYJTQIMSA-N 398.462 4.479 0 1 GIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(Br)cc1 104115678 VSWZCCCWKDOKQA-RIBQPWQFSA-N 391.269 4.322 0 1 GIAF CCc1ccc([C@H]2C[C@H](NC(=O)NC(C)(C)C)CN(C(=O)C3CCCC3)C2)cc1 114341268 ZNFJCDBBFZBHED-SFTDATJTSA-N 399.579 4.221 0 1 GIAF COc1ccc(-c2cc(=O)c3c(O)cc(OC(=O)c4ccccc4)cc3o2)cc1 138221646 JIBKEBRVMROMPH-UHFFFAOYSA-N 388.375 4.393 0 1 GIAF COc1cnc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)nc1 224788567 LYKQOUIVXMONMT-UHFFFAOYSA-N 389.390 4.123 0 1 GIAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(Br)ccc2O[C@@H]31 473089038 JZWWBOUXPMSTNF-IBGZPJMESA-N 399.244 4.029 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586898714 LUBSKOBVROADPY-UHFFFAOYSA-N 378.453 4.396 0 1 GIAF N[C@H](N=O)c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914474 QEQGNIVIXHXMKU-HXUWFJFHSA-N 388.383 4.055 0 1 GIAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cccc(C(C)(C)C)c3[nH]2)cc1 586940851 HYYGBCIIKVYGOG-SEYXRHQNSA-N 383.517 4.259 0 1 GIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Br)c(O)c2[nH]1 586962207 CBMGHPNVPJKAHW-JTQLQIEISA-N 395.282 4.078 0 1 GIAF Cc1cc(Cc2nc3ccnc(Br)c3[nH]2)ccc1Br 586975831 GGRZELVOLOINQY-UHFFFAOYSA-N 381.071 4.382 0 1 GIAF FC(F)(F)c1ncc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)nc-2[nH]1 587017927 TWWVIZMLOSRGPA-UHFFFAOYSA-N 389.362 4.049 0 1 GIAF Oc1c(Br)ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 587093165 XFCFJWRTDMQLJY-UHFFFAOYSA-N 376.132 4.181 0 1 GIAF FC(F)c1c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cnc2ncnn12 587129379 XNWDLGZOHFPKBP-UHFFFAOYSA-N 388.687 4.277 0 1 GIAF O=S(=O)(O)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587151521 ZVPCOICEMDYRRL-IBGZPJMESA-N 397.431 4.150 0 1 GIAF C[C@@]1(c2nc3ccc(Br)c(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174129 NAWKBTLNPDDETH-KRWDZBQOSA-N 393.187 4.232 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(C(=O)OC(C)(C)C)c3ncccc13)O2 587391868 UIQDKUAMAJFTSU-SFHVURJKSA-N 393.443 4.417 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(N(C)C)nc1-c1ccccc1)O2 587413857 PZDKJXYFUJFJRZ-QGZVFWFLSA-N 379.485 4.473 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H](NC(=O)OC(C)(C)C)C1)CC2=O 587470444 NHIRBPKPXHGXOO-ASSNKEHSSA-N 375.465 4.126 0 1 GIAF COC(=O)[C@@H]1CCc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527517 WBVDMRVCZXBGAJ-RDPSFJRHSA-N 376.452 4.162 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ncc[nH]1 587591374 VLZGUIYEDQSOMR-CVDCTZTESA-N 384.391 4.021 0 1 GIAF CCCC[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597196 QAUZCRWCABGCDV-HFXUHXBXSA-N 398.455 4.482 0 1 GIAF CC(C)(O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611764 UBHCRHYSKBHYTC-CVDCTZTESA-N 376.408 4.020 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CN(C(=O)OC(C)(C)C)C2)N1 587762982 WAKRYOIBHYPZNQ-QFYYESIMSA-N 399.304 4.030 0 1 GIAF CCOc1ccccc1OCc1nc2cccc(I)c2[nH]1 587780460 UWDIDYDIHKCQKA-UHFFFAOYSA-N 394.212 4.145 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cccnc1 587863879 CTBLQGGLANHUIB-UHFFFAOYSA-N 375.350 4.246 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1cn(-c3ccccc3)nc1C)N(C)[C@@H](C)C2 962574947 QMVQPKGKUKGOJW-NPMXOYFQSA-N 377.488 4.164 0 1 GIAF Cc1cc2c(o1)CCC[C@@]21N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963180164 POOCVAPDNDYAOQ-SCLBCKFNSA-N 399.796 4.439 0 1 GIAF Cc1c(-c2ccc(N3CCC[C@@](C)(O)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772633442 ZPGYMHWNUVSTTQ-JOCHJYFZSA-N 384.426 4.133 0 1 GIAF Cc1c(C(=O)OCCc2ccccc2)[nH]c2cccc(OC3CCNCC3)c12 1857538585 ZODPKVSYXJTOST-UHFFFAOYSA-N 378.472 4.007 0 1 GIAF O=C1Nc2cc(Br)ccc2/C1=C/c1[nH]nc2c1Cc1ccccc1-2 1857653329 FFWXMDYAZIGFQU-ZROIWOOFSA-N 378.229 4.236 0 1 GIAF Cc1ccc(S(=O)(=O)N(Cc2ccsc2)c2ccc(C(=O)O)cc2)cc1 1857770858 BJUQLXZFVZJWPK-UHFFFAOYSA-N 387.482 4.150 0 1 GIAF Brc1cccc(-c2nnc3sc(CNCc4ccco4)cn23)c1 20151788 ISQDHQSIYREVBU-UHFFFAOYSA-N 389.278 4.103 0 3 GIAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccccc1OC 4055533 KDEJMBAHXGLKPW-UYAOXDASSA-N 386.879 4.357 0 1 GIAF N[C@H]1CN(c2nccc(-c3ccccc3)n2)C[C@@H]1c1ccc(Cl)cc1Cl 14958706 ANEZVMLVQSLOFS-AEFFLSMTSA-N 385.298 4.382 0 1 GIAF O=C(Nc1ccc(-n2cccn2)cc1)C1CCN(C/C=C/c2ccccc2)CC1 19841670 AGLBIELSRXFKDH-XBXARRHUSA-N 386.499 4.236 0 1 GIAF O=C(Nc1ccc(F)cc1F)[C@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32 26171976 NXSDBOWZMKJCFX-IBGZPJMESA-N 394.352 4.409 0 1 GIAF O=C(Nc1ccc(Cl)cc1CN1C(=O)c2ccccc2C1=O)c1ccccc1 28948878 UKIQVCFHWAXEOH-UHFFFAOYSA-N 390.826 4.389 0 1 GIAF CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)Cc3sc(C)nc3[C@H](C)[C@@H]2[C@@H]1O 33697329 YFVIBFOAEBKBDI-MBNPFGOSSA-N 378.582 4.009 0 1 GIAF biogenic CC(C)CCc1nc(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc12 40394790 JWPVJPIPEUKBMX-UHFFFAOYSA-N 395.484 4.090 0 1 GIAF CCOC(=O)[C@H]1CCCCN1Cc1coc(-c2ccccc2Br)n1 72101265 KZKAYYDAEOWQGY-MRXNPFEDSA-N 393.281 4.022 0 1 GIAF O=C1O/C(=C\c2cccc3c2OCO3)C=C1Cc1ccc(Br)cc1 103168838 SHAZDIWDHBEEEZ-SXGWCWSVSA-N 385.213 4.245 0 1 GIAF Cc1onc(-c2ccc(F)cc2F)c1COc1ccc(C(=O)NC(C)C)cn1 141352957 HBMHMSDLYGAVPU-UHFFFAOYSA-N 387.386 4.040 0 1 GIAF C[C@@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2Cl)CCSC(N)=N1 141492938 NRRWRNWYWPFBKV-KRWDZBQOSA-N 395.315 4.308 0 1 GIAF OCCNCc1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 145598440 XSBCFSHPIYHEQT-IBGZPJMESA-N 382.485 4.084 0 1 GIAF O=C(O)CCC/C=C/C[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1CCNC(=O)Nc1ccccc1 169325747 QDCBWGKZRZYILC-ATJLDBAISA-N 386.492 4.193 0 1 GIAF O=C1NC(=O)N(Cc2ccccc2)/C1=C/c1ccc(OCc2ccccc2)cc1 473151518 PRSUGSFPQAUVFM-PXLXIMEGSA-N 384.435 4.359 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 586939045 XXKYMCXZARNHRH-SECBINFHSA-N 399.303 4.009 0 1 GIAF c1ccc(-c2scnc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 587028338 RZVPXNMTFIHXTK-UHFFFAOYSA-N 376.485 4.186 0 1 GIAF COc1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2n1 587128761 PPCUGWMFMATSKY-YFKPBYRVSA-N 377.729 4.301 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cccc(F)c3NC)nc2c1 587136022 VLXFYACYNDNNHV-UHFFFAOYSA-N 392.228 4.350 0 1 GIAF CCOC(=O)[C@H](CC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351880 VNLHYWJQRURBKD-KPLVRAHFSA-N 386.419 4.238 0 1 GIAF COC(=O)[C@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587524919 NPADGTHZWRFJHY-MHECFPHRSA-N 376.452 4.477 0 1 GIAF COc1cccc(OC)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590322 BSUFJDKTLZOULN-UGKGYDQZSA-N 378.380 4.112 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587597186 QAHZAZRBGQYXGA-VEIGQSBUSA-N 396.439 4.092 0 1 GIAF O=C(O)CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609879 DYKKQFVWTJJLCL-NQIIRXRSSA-N 396.420 4.176 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(N(C)C)c2)N1 587755075 LSTPXQKJRCLULU-BUXKBTBVSA-N 377.301 4.452 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cc3ccc[nH]3)[nH]2)N1 587791283 LBHAVZRSZCBDRJ-JEOXALJRSA-N 388.284 4.459 0 1 GIAF O=c1cc(Cn2ccnc2-c2ccccc2)nc2scc(-c3ccccc3)n12 621431161 VQWUZROJUFPAAG-UHFFFAOYSA-N 384.464 4.335 0 1 GIAF C[C@]1(c2ccc(F)cc2N)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949280 FEEFSHLROXGAOQ-IBGZPJMESA-N 394.412 4.342 0 1 GIAF C[C@@]1(c2ccc(S(=O)(=O)C(F)F)cc2)c2c(F)cccc2C[C@H]2CCCN21 963118997 YLGAHIWZLOSSLG-FOIQADDNSA-N 395.446 4.106 0 1 GIAF O=C1OC[C@H](Cc2ccc3c(c2)OCO3)[C@H]1Cc1ccc(Cl)c(Cl)c1 1772612807 GHXMEXWRXGAGNY-UONOGXRCSA-N 379.239 4.297 0 1 GIAF CC1=C(C(=O)OCC(F)(F)F)[C@H](c2cccs2)N2C(=N1)Nc1ccccc12 1857605410 KQAIFFOXWIJWFZ-HNNXBMFYSA-N 393.390 4.470 0 1 GIAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCCCc4ccccc4)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356430169 OVHYDIJYSJGQRI-KWEHEGDVSA-N 378.512 4.476 0 1 GIAF COc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)c2cccc(F)c2)C3)cc1 1370586 UMBQJQJQLFTHQN-SEJPIABJSA-N 382.479 4.150 0 1 GIAF C[C@]12C[C@H](NC(=O)N1c1cccc(C(=O)N3CCCCC3)c1)c1ccccc1O2 4969280 NRQQLPNVSHCTCQ-CVDCTZTESA-N 391.471 4.082 0 1 GIAF O=C(O)C[C@@](O)(CCCCCCCc1ccc(Cl)cc1Cl)C(=O)O 13758161 GCXDVRLDAYCIEZ-KRWDZBQOSA-N 377.264 4.167 0 1 GIAF Cc1nc(N2CCC[C@@H](NCCc3ccccc3F)CC2)nc2ccc(F)cc12 14990034 OGIKZTPZDOJDRQ-LJQANCHMSA-N 396.485 4.408 0 1 GIAF CCOc1cc2c(cc1OC(C)=O)C(=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 26494542 BQBOABNOMRVZDN-SFZOXRSBSA-N 386.488 4.258 0 1 GIAF Cn1c(C(C)(C)C)c/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n1CC1CC1 29124781 MSEKBDNORIJSEG-JJIBRWJFSA-N 379.426 4.294 0 1 GIAF Cc1cc2ccccc2n1CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1 29390690 IPMBHTVSWKGTKC-UYRXBGFRSA-N 378.453 4.353 0 1 GIAF C[C@H]1CC[C@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](C)CC(=O)OC(CO)CO 38860423 BJLPMYREWUOTSW-XPDMDZMYSA-N 380.569 4.488 0 1 GIAF biogenic Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccc(Cl)cc2)cc1 40393215 QSIDEHNFILGLHV-LJQANCHMSA-N 385.895 4.303 0 1 GIAF Cc1c(C(=O)NN2CCCC2)nn(-c2ccccc2)c1-c1ccc(C2CC2)cc1 43069786 XBPYJDXJGOUYDK-UHFFFAOYSA-N 386.499 4.466 0 1 GIAF COc1ccc([C@@H](O)CN[C@@H](C)CCc2ccc(F)cc2)cc1C(F)(F)F 45167404 WIEWTSINKQLIIM-UGSOOPFHSA-N 385.401 4.497 0 1 GIAF C[C@@H]1CCCCN1CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12 45389109 BOQKMDDOTKOYRK-QGZVFWFLSA-N 382.529 4.418 0 1 GIAF in-vitro Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1F 96271313 PWLRRJAFPMHNQH-PKOBYXMFSA-N 381.495 4.449 0 1 GIAF COc1ccc(-c2nc(CSc3nc4cc[nH]cc-4n3)c(C)o2)cc1OC 103587669 QRMMXYXECIOWCV-UHFFFAOYSA-N 382.445 4.182 0 1 GIAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccncc2)cs1 118595530 FVCMRTFFQRLDFL-LJQANCHMSA-N 379.485 4.338 0 1 GIAF C/C=C(/C)C(=O)O[C@H]1C/C=C(\C)CC[C@@H](C(C)C)[C@@H](OC(C)=O)[C@@H]2O[C@]12C 238746369 PIRBWKHZKPMBQG-IWZRVHGESA-N 378.509 4.356 0 1 GIAF Cc1c(-c2nc3c(I)cccc3[nH]2)oc2c1[C@@H](O)CCC2 586904757 APFCOBPDHOZNBZ-NSHDSACASA-N 394.212 4.106 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 586916869 PFEFYJVCWXGWRY-SGTLLEGYSA-N 375.350 4.193 0 1 GIAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(C)C 586932685 IQKVBIVQBMDALI-CQSZACIVSA-N 395.422 4.137 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C)cc(Cl)cc3[nH]2)cc1 586935476 ICSXXSNYZGEUJC-LBPRGKRZSA-N 377.897 4.269 0 1 GIAF Cc1ccc(-c2nnc(SCc3nc4cc(F)c(F)c(F)c4[nH]3)n2C)cc1 586965018 DCEZLCZOTKHENE-UHFFFAOYSA-N 389.406 4.376 0 1 GIAF O=C1Cc2nc3ccc(O)c4c3c(c2[C@@H](c2ccco2)C1)-c1ccccc1C4=O 586991260 LXQDEORDHLEGJR-OAHLLOKOSA-N 381.387 4.392 0 1 GIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccnc(OC)c2[nH]1 587035666 XXJUUBRAQDDIIB-CQSZACIVSA-N 380.473 4.452 0 1 GIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2c(F)cnc(Cl)c2[nH]1 587043506 QXEZHKSYSFWPFZ-JTQLQIEISA-N 383.235 4.059 0 1 GIAF Cc1nc2[nH]c(Cn3cc(-c4ccc(F)cc4)cn3)nc2cc1Br 587165288 OXGSVUKIEJZCRQ-UHFFFAOYSA-N 386.228 4.080 0 1 GIAF COc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1N 587339500 UJHBATWKJXDPRI-REWPJTCUSA-N 393.414 4.396 0 1 GIAF COC(=O)c1ccccc1-c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)o1 587414965 WWQZQIGXAPBPAK-HXUWFJFHSA-N 377.396 4.330 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4n[nH]c5cccc1c45)[C@@H](C2)C3=O 587441957 WDUUHVRBWCPLCA-BXKMTCNYSA-N 380.403 4.243 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(C)(=O)=O)cc1Cl)CC2=O 587488906 SJFDFFLXDCUISF-GOSISDBHSA-N 394.876 4.108 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1N1CCSCC1)CC2=O 587497011 BJNMBWOCBWGWOJ-FPOVZHCZSA-N 375.534 4.040 0 1 GIAF CCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCC(=O)O 587524360 NAPYMLJSJJNFMS-HXUWFJFHSA-N 396.439 4.134 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1C[C@H]1CCCO1 587578890 SAQMWDDSJMEURZ-ZNRXUEPQSA-N 391.423 4.076 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnn1C1CCCC1 587582754 QUGAHYCYLJKUFP-SIKLNZKXSA-N 376.412 4.407 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cc2ccc[nH]2)[nH]1 587591641 WTIGCAYLNOOYAH-NFBKMPQASA-N 386.407 4.342 0 1 GIAF CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C12CCCC2 587601872 VDUDMZLWVYCPDP-SELNLUPBSA-N 380.440 4.462 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(-c3cc(Cl)ccc3Cl)c(CC(=O)O)c2c1 587650084 VYMOVDZIYYBYEA-UHFFFAOYSA-N 398.267 4.172 0 1 GIAF CCC(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587705064 LBXDZHHPQUYSNO-RMLUDKJBSA-N 382.195 4.249 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ncon3)cc2)N1 587796110 PFNRPRJMCYWMIM-QGHHPUGFSA-N 388.240 4.262 0 1 GIAF COC(=O)[C@@H]1CCC[C@]2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587809554 RYKJEOIBEQGGHZ-SEDUGSJDSA-N 384.289 4.071 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587811231 VWSQSDNLEMTEGO-BBATYDOGSA-N 392.268 4.307 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587819577 BFTCQPQQBTXCEJ-DALIBSEYSA-N 382.317 4.135 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc([S@](C)=O)cc2)N1 587837898 AGICQOOVKXVLDG-WNJMORBRSA-N 396.325 4.123 0 1 GIAF COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)c(O)c2)cc1OC 587927216 PODKDIHKYMFUII-UHFFFAOYSA-N 390.395 4.348 0 1 GIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2c(Br)ccc(Br)c2[nH]1 587963614 PFJPJOQDSUBOCD-HTQZYQBOSA-N 386.087 4.246 0 1 GIAF COc1ccc2c(c1)[C@@H](c1ncc(Br)cc1F)N(C(C)C)CC2 962092868 QZXYOHJOMBQHOH-SFHVURJKSA-N 379.273 4.348 0 1 GIAF CCOC(=O)[C@@H]1CC[C@@]2(c3ccsc3CCN2Cc2cccnc2)[C@@H](C)C1 962994440 DDBTXONVZZJVFC-CECAUBDESA-N 384.545 4.396 0 1 GIAF Cc1sc2c(c1C)CCN[C@H]2c1cn(-c2ccc(Cl)cc2Cl)nn1 963015416 BEKKWJSIEKXUJC-INIZCTEOSA-N 379.316 4.488 0 1 GIAF Cc1cc(C(=O)NC2CCCCC2)n(Cc2csc(N3CCCCC3)n2)c1 1857570774 GJJBEKSZAKBQIH-UHFFFAOYSA-N 386.565 4.354 0 1 GIAF COc1cc(NC(=O)Nc2cc(Nc3cc(C)cc(F)c3)ncn2)cc(OC)c1 1857598068 WLRLBZXKQVGMLY-UHFFFAOYSA-N 397.410 4.329 0 1 GIAF CN(c1ccc(-c2cc3cnccc3cc2O)nn1)C1CC(C)(C)NC(C)(C)C1 1857650240 UISGQKNCYSNSMB-UHFFFAOYSA-N 391.519 4.143 0 1 GIAF CC(=O)c1ccc2c(c1)CC[C@@H]1[C@@](C)(COC(=O)CCC(=O)O)CCC[C@]21C 2356663044 RIVZOOCBMWTULA-UEVCKROQSA-N 386.488 4.308 0 1 GIAF CCCCC(=O)N[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1Cc1ccccc1 206039886 NSZOWWOIRUZZSN-HXKBJWFLSA-N 396.575 4.475 0 3 GIAF CN(C)c1ccc(C2=NOC[C@@]2(C)C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 769655 SFKZBMGZTLIOFF-XMMPIXPASA-N 393.531 4.107 0 1 GIAF NC(=O)c1cc2c(Oc3ccc(CO[C@@H]4CCCCO4)cc3)cncc2s1 13864442 KCKRKRQSCSVZSK-LJQANCHMSA-N 384.457 4.231 0 1 GIAF C[C@H](N)C(=O)N1CCCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 13907517 ZWZNNGSIKNFQSW-LPHOPBHVSA-N 388.404 4.023 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 27887289 GNWBLLYJQXKPIP-ZLYPYOQPSA-N 388.596 4.334 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc([C@@H](C)N3CCCCC3)cc1)C2 28344372 UUCAJFDACITQCR-MWTRTKDXSA-N 395.499 4.437 0 1 GIAF Cc1cc(N(C)CCN(C)C)nc2ccc(NC(=O)CCc3ccccc3)cc12 28570347 IUDNNDSWNNHACP-UHFFFAOYSA-N 390.531 4.112 0 1 GIAF Cc1ccc(NC(=O)c2c(NCc3ccncc3)ncn2C)cc1C(F)(F)F 28889764 MRYABPQQMFYZQO-UHFFFAOYSA-N 389.381 4.007 0 1 GIAF O[C@@H](CNCCc1ccc(Cl)c(Cl)c1)COc1cccc2[nH]ccc12 29320743 FNHLGFFPSBEAAM-AWEZNQCLSA-N 379.287 4.047 0 1 GIAF Cc1cc2c(s1)c1cnn(Cc3ccc(C(F)(F)F)cc3)c(=O)c1n2C 36380377 KAVDTTOWPCQQQQ-UHFFFAOYSA-N 377.391 4.325 0 1 GIAF Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2ccc(C)c3ncccc23)c(C)c1 43129895 ZVJNKNVFIGJJKR-SFHVURJKSA-N 397.544 4.247 0 1 GIAF N=C(N)SCc1c(F)ccc2c1oc1c(CSC(=N)N)c(F)ccc12 43199847 MISHERGCFFUFGK-UHFFFAOYSA-N 380.445 4.118 0 1 GIAF Cc1oc(-c2cnc(N3CCOCC3)nc2-c2ccco2)nc1-c1ccccc1 82165751 IOEGQZKFULVYKN-UHFFFAOYSA-N 388.427 4.204 0 1 GIAF COc1nn(Cc2ccccc2Cn2nc(OC)c3ccccc32)c2ccccc12 84654355 SJVIJFKJJVNKMA-UHFFFAOYSA-N 398.466 4.500 0 1 GIAF N[C@@H](CS[C@@](Cc1ccccc1)(c1ccccc1)c1ccccc1F)C(=O)O 84709936 NMNHRKVBNLEXKT-GMAHTHKFSA-N 395.499 4.457 0 1 GIAF Cc1ccccc1C(=O)Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O 95595112 PFHCUKXSSUWZIU-FQEVSTJZSA-N 390.391 4.332 0 1 GIAF O=C(Cc1ccccc1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 95877504 HPLLNSLMMJDLCP-YMVVMYQSSA-N 398.506 4.272 0 1 GIAF CCOc1cccc(C2(N3CCN(c4ccccc4N)CC3)[C@H]3CC(C)C[C@H]32)c1 96272384 QJXIPVWSPUFINC-RZSAXGJXSA-N 391.559 4.361 0 1 GIAF O=C(O)c1ccc(Nc2nc3c(-c4cnn(C5CCCC5)c4)cccn3n2)cc1 96282528 ORKMOELSWADEED-UHFFFAOYSA-N 388.431 4.150 0 1 GIAF CC(=O)OC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 103180981 ISGYLNRAKWTZGK-UHFFFAOYSA-N 392.480 4.348 0 1 GIAF O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2c(F)cc(O)cc2F)nc1 113898729 XRTDEDQIYNPCKC-UHFFFAOYSA-N 383.354 4.447 0 1 GIAF CC1=N[C@@]2(C[C@]3(CCCOC3)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N 169708633 NDUICAHCFCQKCR-VXKWHMMOSA-N 395.890 4.323 0 1 GIAF C[C@H]1CCCN(C(=O)CSC[C@H]2CN(C)CC[C@@H]2c2ccc(Cl)cc2)C1 198918027 GOCKZFNRKPOAGC-ILZDJORESA-N 395.012 4.367 0 1 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4ccc(Cl)cc4)ncc23)ccn1 205442162 OFOGPUQRNQCCIH-UHFFFAOYSA-N 392.850 4.303 0 1 GIAF Cc1nc2cccc(-c3[nH]c4c(c3Cl)C(=O)NCC4)c2nc1NC(C)(C)C 206088204 VBVOCYOFXNIYLW-UHFFFAOYSA-N 383.883 4.083 0 1 GIAF Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccsc4)cc3=O)cc21 223469193 MQQLRZBKRHUHQC-UHFFFAOYSA-N 377.469 4.242 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(C)nc(C)cc3[nH]2)cc1 586948413 HSRHFBNOAREIGU-UHFFFAOYSA-N 392.484 4.351 0 1 GIAF COc1nccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12 587129953 OWXRYRNLZSBTDD-RXMQYKEDSA-N 377.729 4.301 0 1 GIAF CC(C)[C@@H](c1nc2cccc(C(=O)O)c2[nH]1)N(C)C(=O)OCc1ccccc1 587199148 XJVCNSFUTCDUFM-SFHVURJKSA-N 381.432 4.227 0 1 GIAF CCN(CC)C(=O)Nc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587428920 NJXKFZSDLLIAMB-JPYJTQIMSA-N 394.471 4.232 0 1 GIAF CCOc1ccc([C@]2(c3ccco3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587455245 KWFULGJUFPRXRV-JPYJTQIMSA-N 376.408 4.378 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](CC(C)(C)NC(=O)OC(C)(C)C)CC2=O 587467511 AMMUAUCLKKPOQF-ZDUSSCGKSA-N 377.481 4.372 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](CC(=O)O)c2cc(OC)ccc21 587483031 UCRDJNCUHCZUTE-ZAMGYDSWSA-N 396.439 4.176 0 1 GIAF C[C@H](Oc1ccc2c(c1)OCO2)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587534731 FTXAMIIASDGWDG-PSLXWICFSA-N 380.440 4.486 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1Cc1ccccn1 587578123 QGWSEFXOFVDDMY-XUZZJYLKSA-N 398.418 4.340 0 1 GIAF CCC[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596900 PTZKTGACBIOTRY-LDJQZATESA-N 384.428 4.092 0 1 GIAF COc1ccc2c(c1)CC[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601328 RZOLGVISOUEWLL-QPPBQGQZSA-N 388.419 4.290 0 1 GIAF Cc1nc2scc(C)n2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619047 QOIFUJUCGUHYIH-OXJNMPFZSA-N 392.436 4.421 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](c3ccnn3C)C2)N1 587762354 XSUQTYBCPPQZTR-TVZGQMOCSA-N 392.316 4.409 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccccn3)CC2)N1 587770702 SRZTZCZUVHZHSM-CYBMUJFWSA-N 390.300 4.013 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cn(CC)nc1C 587866382 ZKDGHZKXMKUGRT-UHFFFAOYSA-N 392.381 4.181 0 1 GIAF COc1ccc(CNC(=O)C(C)(C)n2cc(-c3ccc(C)cc3C)cn2)cc1 618008041 FNGFEONOABVATQ-UHFFFAOYSA-N 377.488 4.227 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@H](c3c[nH]c4ccc(Br)cc34)c3cccc1c32 963037740 VWZICXARJGCUOU-GIPWTMENSA-N 396.288 4.073 0 1 GIAF COc1cc2c(cc1OC1CCCC1)[C@H](c1ccccc1)N1C(=O)OC[C@H]1C2 1772572174 QPSQHFUIJYGQQB-VGSWGCGISA-N 379.456 4.483 0 1 GIAF CC(C)(C)OC(=O)NCc1cccc(Nc2nc3ccccc3n3cnnc23)c1 1772617435 TWDQMQPZYQHZNP-UHFFFAOYSA-N 390.447 4.046 0 1 GIAF CCC(=O)N1CCSc2c(cc(-c3ccc(OC)c(OC)c3)cc2OC)C1 1772633658 LWRHRKYYBFZTED-UHFFFAOYSA-N 387.501 4.224 0 1 GIAF C[C@H]1CCCN(CC(=O)Nc2ccc(Nc3cc(=O)oc4ccccc34)cc2)C1 1857579325 UVISRZKMFYEUCQ-INIZCTEOSA-N 391.471 4.207 0 1 GIAF Cc1cc2nc(N3CCNCC3)n(Cc3ccc(F)c(Cl)c3)c2cc1Cl 1857647013 KUEYXDAJFCBTFA-UHFFFAOYSA-N 393.293 4.249 0 1 GIAF CN(C)C1CCN(c2nc(-c3ccncc3)nc3sc4c(c23)CCCC4)CC1 1911578456 COOPMPOTNKJMDQ-UHFFFAOYSA-N 393.560 4.163 0 1 GIAF CC[C@H](C)[C@@H]1O[C@H](c2c(O)c(-c3ccccc3)cn(OC)c2=O)[C@@H](C)C[C@H]1C 2356738613 WGEGPIRBSMWCPA-HJBSZYCQSA-N 385.504 4.428 0 1 GIAF COc1ccc(Br)cc1CSc1ccccc1C1=NCCCN1 590622 QMSDCVRXVFCLRL-UHFFFAOYSA-N 391.334 4.490 0 1 GIAF CN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccs2)[C@@H]1c1cccs1 2455931 JDXKXJACMISRID-ROUUACIJSA-N 382.510 4.037 0 1 GIAF CC[C@H](C)n1c(SCC(=O)OCc2ccccc2)nc2ccsc2c1=O 2925299 AZNJQMFZSFGWMG-ZDUSSCGKSA-N 388.514 4.265 0 1 GIAF O=C(c1coc(Cn2cnc3ccccc32)n1)N1CC=C(c2ccccc2)CC1 12448249 QBJWKHFEDQAVBG-UHFFFAOYSA-N 384.439 4.002 0 1 GIAF NC(=O)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)cc1Br 29046225 JYYDVQSUCPKPJH-UHFFFAOYSA-N 383.245 4.011 0 1 GIAF O=C(Oc1ccc(Cl)cc1OC(=O)c1cccc(O)c1)c1cccc(O)c1 49067139 NTMGZADECKMCPV-UHFFFAOYSA-N 384.771 4.190 0 1 GIAF CN1CCN([C@H]2Cc3ccccc3Sc3ccc(-c4ccn(C)n4)cc32)CC1 64548986 WASDQAJQWQDOQW-NRFANRHFSA-N 390.556 4.083 0 1 GIAF Cc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2Cc2cccs2)cc1 72120356 XRHLWNKYCHYPJE-BHDDXSALSA-N 394.544 4.075 0 1 GIAF CCc1nn(-c2ccccc2)c2cc(N3CCN(c4ccncc4)CC3)ccc12 72179082 XLKKASACQYNDAV-UHFFFAOYSA-N 383.499 4.310 0 1 GIAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(Cc4ccc5c(c4)OCO5)C[C@@H]2N3)cc1 100108413 LAGLNKQLGINVOX-MWZSMPGESA-N 398.506 4.331 0 1 GIAF CCc1ccccc1-n1c(SCc2ccccc2F)nc2nncc-2c1O 100702990 GAMXKKGNQJOKEA-UHFFFAOYSA-N 380.448 4.467 0 1 GIAF CCCC[C@@](O)(CC)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 139081332 ONTLADLDFHCNTE-YTEVLBQOSA-N 396.568 4.344 0 1 GIAF CC(=O)O[C@@H]1O[C@H]2OC(=O)C[C@@H]1[C@@H]2[C@]1(C)CC[C@H]2C(C)(C)CCC[C@@]23C[C@H]31 140336389 OICVJVUJQGLIIP-BVMCJACJSA-N 376.493 4.044 0 1 GIAF Cc1cnc(-c2ccccc2C(C)C)nc1NCC1CCN(C2COC2)CC1 169304001 GNCUMPGKAYQIIZ-UHFFFAOYSA-N 380.536 4.098 0 1 GIAF Cc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 586935636 FOJPMSBHASZCGX-KRWDZBQOSA-N 377.897 4.200 0 1 GIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc3ncccc3c2[nH]1 586973890 RXIQOUVLTITMKX-IBGZPJMESA-N 376.485 4.222 0 1 GIAF Cc1cc(Cc2nc3cncc(Br)c3[nH]2)ccc1Br 586975528 DNWUWKUUQKEKAB-UHFFFAOYSA-N 381.071 4.382 0 1 GIAF O=C(Nc1nc(Cc2nc3cccc(Cl)c3[nH]2)cs1)c1cccc(O)c1 587020106 WXNWYJTUZZWLCB-UHFFFAOYSA-N 384.848 4.222 0 1 GIAF O=C(CCCc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(Cl)cn1 587081660 SSKHEANRFCBIQY-UHFFFAOYSA-N 397.635 4.114 0 1 GIAF CN(C)C(=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134762 OFQPQZDSDCJXSC-GQCTYLIASA-N 381.304 4.131 0 1 GIAF Clc1cnc2[nH]c(/C=C\c3cccc(I)c3)nc2c1 587185108 XBRBACWFTURHMV-PLNGDYQASA-N 381.604 4.386 0 1 GIAF COC(=O)C[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587348232 GTQSZIOIDIHRGF-VSUDMRMVSA-N 398.430 4.382 0 1 GIAF Cc1ccc2c(n1)NCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352379 XCGFCECROCPSLO-NZQKXSOJSA-N 390.414 4.305 0 1 GIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccncc1 587395636 SUAWBNFNAXRRCR-OAQYLSRUSA-N 390.439 4.266 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCN3CCC[C@@H](C)C3)cc1)O2 587396202 QGWDFDOVEXYSPL-WAIKUNEKSA-N 394.515 4.394 0 1 GIAF CCOC(=O)[C@H](C(C)C)[C@@]1(Cc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399405 JTSTTZIWRLYZJE-XUZZJYLKSA-N 395.499 4.359 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc4c(C(F)(F)F)nn(C)c4s1)[C@@H](C2)C3=O 587418911 BMZYXHAXWXYVRQ-VFZGTOFNSA-N 394.374 4.151 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(NC(C)=O)cc1OC)CC2=O 587472216 ZGOPOHHAXVNTCK-QFIPXVFZSA-N 383.444 4.192 0 1 GIAF COc1c(F)ccc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557321 MSHYWYQYNWFQJB-UTKZUKDTSA-N 384.334 4.382 0 1 GIAF CC(C)C(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587704305 IIOVGINPKJUAAL-PSLIRLAXSA-N 396.222 4.495 0 1 GIAF CC(=O)Nc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587746249 ZJHUYJHUAFQCRZ-JEOXALJRSA-N 391.284 4.344 0 1 GIAF CCOC(=O)[C@@H]1CC[C@@]2(C=C1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587793387 DRWNYPJCLKAPMB-CFZJUORYSA-N 396.300 4.237 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C(=O)O)c2)N1 587825317 GYAHDIUTFPOGSS-YPMLDQLKSA-N 378.241 4.084 0 1 GIAF COc1ccc(OC)c(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1OC 587926342 MXBIBRQKOAERPZ-UHFFFAOYSA-N 399.191 4.296 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@]2(c1ccccc1)c1ccccc1C(=O)O 963257398 JNYZBYWSZHLEID-HSZRJFAPSA-N 393.870 4.484 0 1 GIAF CSc1ccc([C@@]2(c3[nH]c(O)nc3C)NCCc3cccc(Cl)c32)cc1 963390360 IBKCPVVKKXSYMS-HXUWFJFHSA-N 385.920 4.237 0 1 GIAF COc1ccccc1S(=O)(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 1857558311 SYIKRSKRVUVZON-UHFFFAOYSA-N 380.425 4.304 0 1 GIAF c1ccc(C[N@@]2C[C@@H]2COc2cccc3c[n+](Cc4ccccc4)ccc23)cc1 1857627010 RVIXBLIWKFDYEZ-YWEHKCAJSA-N 381.499 4.439 0 1 GIAF C[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccc(F)cc3)=NN2C1=O 1857629897 MNQXMQHQMUJCQY-HWPZZCPQSA-N 389.224 4.047 0 1 GIAF COc1cc(NC(=O)c2nc3cc(Cl)ccc3s2)cc(OC)c1OC 1857632949 RFTTYAGBOKYKBF-UHFFFAOYSA-N 378.837 4.228 0 1 GIAF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=C2[C@H](O)[C@](C)(O)CC1 1857770654 PAJAQJGAODSPPI-JTHBVZDNSA-N 388.504 4.175 0 1 GIAF CC(C)CN(CC(C)C)C[C@@H]1O[C@H](Cc2cc(C(C)(C)C)on2)CC[C@@H]1O 2356381399 LAZQXZQKBXMERN-UFYCRDLUSA-N 380.573 4.037 0 1 GIAF COc1ccc(-c2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)[nH]n2)c(C)c1 61895349 UBLKOBFIWFOKHA-UHFFFAOYSA-N 389.377 4.343 0 3 GIAF CCCNC(=O)c1cc([C@@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)on1 61927426 OOPWFOWULQFKQG-IBGZPJMESA-N 383.492 4.305 0 3 GIAF CC(C)(C)C(=O)n1cc(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc21 13737487 SKFFSSPNEHZZSL-FXAWDEMLSA-N 393.512 4.309 0 1 GIAF O=C(Nc1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1 25648880 FXQDESBYVHFLBI-UHFFFAOYSA-N 387.844 4.360 0 1 GIAF Cc1cc(S(=O)(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c(C)cc1Cl 28820589 WLGLOAUQFHGIQN-AWEZNQCLSA-N 376.909 4.348 0 1 GIAF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1c(Cl)cccc1Cl 40940254 LQRLWVUALLGRLN-UHFFFAOYSA-N 395.267 4.003 0 1 GIAF O=C1C(=O)N(CCCNc2ccnc3cc(C(F)(F)F)ccc23)c2ccccc21 64527836 IUZZKMZKLOLVAR-UHFFFAOYSA-N 399.372 4.285 0 1 GIAF CC(C)CCN(C)Cc1cn([C@H]2CCCC[C@@H]2OC(=O)c2ccccc2)nn1 73199807 MMOBCPONRIIEJU-SFTDATJTSA-N 384.524 4.097 0 1 GIAF CC1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3ccccc3)n2)CC1 82133328 PIAGNMKYDROBQY-OALUTQOASA-N 392.547 4.498 0 1 GIAF OC1CCN(c2ncc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)CC1 82163040 VDWXYFYABLVXGR-UHFFFAOYSA-N 388.496 4.381 0 1 GIAF CC1=C(c2nc(-c3cccc(C#N)c3)cs2)[C@@H](c2cccc(O)c2)NC(=O)N1 145334655 VSBVYODCCVYQEU-LJQANCHMSA-N 388.452 4.172 0 1 GIAF C[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)c1nccs1 167498941 UMYYKORFXBCTTF-CQSZACIVSA-N 392.484 4.182 0 1 GIAF O=c1oc(Cc2c[nH]c3ccccc23)c(O)n1Cc1cccc(C(F)(F)F)c1 169713924 XBFAQMGEJJVSCU-UHFFFAOYSA-N 388.345 4.286 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4C[C@@H](OC(C)=O)C(=O)[C@@]4(C)CC[C@H]32)C1 255282879 YALOOLVBDYZGLY-DULTXEEUSA-N 390.520 4.072 0 1 GIAF Cc1onc(-c2nc3cc(CCO)ccc3[nH]2)c1COc1ccccc1Cl 587063203 HZIFPOPGWGPVLT-UHFFFAOYSA-N 383.835 4.294 0 1 GIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cnc2[nH]1 587113653 RPIYYIBWSBZXDS-MRXNPFEDSA-N 382.773 4.030 0 1 GIAF Nc1c(F)c(F)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1F 587137305 YNHAPBRYSIAMLB-UHFFFAOYSA-N 378.098 4.270 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1 587191758 YUCAJLOIJCQNKP-SFHVURJKSA-N 377.448 4.396 0 1 GIAF COC(=O)Cc1c(-c2ccc(Br)cc2)nc2cccc3c2c1CC3 587208737 YJXZFBJIEZANSA-UHFFFAOYSA-N 382.257 4.478 0 1 GIAF COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1CSc1nncn1C 587216452 BRUWGQVIYAZZDA-UHFFFAOYSA-N 388.496 4.430 0 1 GIAF COC(=O)c1coc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587353909 OEDRCFVLVDMDOC-SIKLNZKXSA-N 396.370 4.185 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCc4c(Br)ccc(C)c41)[C@@H](C2)C3=O 587418011 RBLNTYTXLYSTSD-XOBRGWDASA-N 385.257 4.355 0 1 GIAF COC(=O)[C@@H]1CCC(C)(C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587592751 KDCFUNPHVFUKNS-FMKFIRIRSA-N 396.439 4.092 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587723521 ASUPZBWTQCZQGW-XYZCENFISA-N 396.231 4.138 0 1 GIAF Oc1ccc(OCc2ccccc2)n1-c1cc2cnccc2c(Br)n1 587940866 NMZAVPQQFOVCLW-UHFFFAOYSA-N 396.244 4.468 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1cc(CN3CCCC3)cs1)N(C)[C@@H](C)C2 962638258 PFYIARLXOOMULJ-NYHFZMIOSA-N 386.561 4.327 0 1 GIAF CCc1cnc([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)s1 963178208 JCPNNQSMKVJUHK-STQMWFEESA-N 390.814 4.066 0 1 GIAF C[C@H]1c2ccncc2N(Cc2ccccc2)C[C@@H](C)N1C(=O)Nc1cccnc1 1772640013 JZRTUPOQWXLSSB-MSOLQXFVSA-N 387.487 4.480 0 1 GIAF Cc1cccc(-n2nccc2-c2ccc3nnn(-c4ccc5c[nH]nc5c4)c3c2)c1 1857551307 ICRVIEXLNCMOKU-UHFFFAOYSA-N 391.438 4.458 0 1 GIAF Cc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1 1857648842 IOKZWCBMXXDCIJ-UHFFFAOYSA-N 384.365 4.106 0 1 GIAF CC(C)[C@@H]1C[C@H](O)[C@]2(C)CCC[C@](C)(O)[C@@H]2[C@H]1OC(=O)C=Cc1ccccc1 2356485878 WIIMMGRJVZSVRB-WNIRCWHXSA-N 386.532 4.206 0 1 GIAF COC(=O)N1Cc2ccnnc2C[C@H]1c1ccccc1-c1ccc(OC)cc1 199734983 TVHNTFBKPKHPPW-NRFANRHFSA-N 375.428 4.018 0 3 GIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2N 254014693 ZEIZSQCNCGCUKC-OEQVYJHJSA-N 389.536 4.053 0 3 GIAF Cc1cc(=O)c(Oc2ccc(F)cc2F)c(-c2ccc(S(C)(=O)=O)cc2)o1 588145 WOBUKGPQDSRSPN-UHFFFAOYSA-N 392.379 4.089 0 1 GIAF CCOc1ccccc1C(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 1370466 GFCXINFWTLYCDS-NHCUHLMSSA-N 378.516 4.401 0 1 GIAF COc1cc(/C=C/c2cc(=O)cc(/C=C/c3ccc(O)c(OC)c3)o2)ccc1O 1655219 LEIAGYMDVSHOKS-FCXRPNKRSA-N 392.407 4.409 0 1 GIAF CN(C)C(=O)c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1 4258466 ZYFRABZQNQSBDX-UHFFFAOYSA-N 383.455 4.006 0 1 GIAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 12494340 DIJBBUIOWGGQOP-QYYVTAPASA-N 396.549 4.342 0 1 GIAF endogenous,world Nc1nc(N)c(F)c(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)o2)c1F 13445003 ATZZKXSUXVMBKY-UHFFFAOYSA-N 383.333 4.047 0 1 GIAF O=[P@](O)(Oc1cccc(C[n+]2ccsc2)c1)Oc1ccccc1Cl 13454814 PECHKEMJPGIDLR-UHFFFAOYSA-O 382.785 4.296 0 1 GIAF NCCCSC[C@H](COc1cccc(-c2ccccc2)c1)SCCCN 27705389 MMLKDTPVRROHQD-NRFANRHFSA-N 390.618 4.265 0 1 GIAF CNCCCCOc1ccc(OC)cc1[C@H]1Sc2ccccc2N1C(C)=O 28006034 UMUOAHYADICHJL-OAQYLSRUSA-N 386.517 4.231 0 1 GIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/c2ccncc2)c1 28463188 HCRNQFDSEFFWGM-MDZDMXLPSA-N 387.483 4.108 0 1 GIAF O=C(c1ccc2c(c1)oc(=O)n2CCc1ccncc1)c1ccccc1Cl 28755781 VRNONFNDGXFFLR-UHFFFAOYSA-N 378.815 4.117 0 1 GIAF Cc1ccc(N2CCc3ncnc(NCc4ccc(C(F)(F)F)cc4)c3C2)nc1 35077844 FMCWYPCITGBOLX-UHFFFAOYSA-N 399.420 4.374 0 1 GIAF Nc1c(-c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cnc2ccnn12 40379034 HFVLTWJNDOQBFT-UHFFFAOYSA-N 378.823 4.276 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCCCC5)C[C@@]43C)[C@@H]1CC[C@@H]2O 40431345 WUGSYBNNMDTMOJ-WIKDVRPQSA-N 375.597 4.215 0 1 GIAF CCN(C)C(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccccc1F 82153254 WMPURHPNSCPRHU-UHFFFAOYSA-N 392.478 4.338 0 1 GIAF CCN(C)c1ncc(C(=O)NCc2ccccc2Cl)c(-c2cccc(C)c2)n1 82160143 WWTCBMOOEXBUOG-UHFFFAOYSA-N 394.906 4.492 0 1 GIAF Oc1ccc(C2=C3Cc4cc(CNC5CCC(O)CC5)ccc4[C@H]3N=N2)cc1 89469169 LGXIORJYJUZGEW-MCSCQSGASA-N 375.472 4.260 0 1 GIAF Cc1ccc(O)c([C@@H](CC(=O)N2C[C@@H](C)C[C@H](C)C2)c2ccc3c(c2)OCO3)c1 95593182 FKTXLFGWWUTSQI-LNLFQRSKSA-N 395.499 4.456 0 1 GIAF c1cnc(O[C@H]2CCN(c3cc4ccccc4cn3)C2)c(C2CCOCC2)c1 96168975 DEZVLWJYQXGNJD-FQEVSTJZSA-N 375.472 4.182 0 1 GIAF Cc1noc2c1-c1sc(C)c(C)c1C(Cc1ccccc1)=N[C@H]2CC(N)=O 96284472 KGVGAGNNCQMVOM-INIZCTEOSA-N 379.485 4.290 0 1 GIAF C[C@]1(c2cccc(/C=C\C(=O)Nc3ccc(Cl)cn3)c2)CCSC(N)=N1 213405971 HEBGLNQNACCBPV-NVAPOSRTSA-N 386.908 4.054 0 1 GIAF Nc1ccnc(Sc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1 224775985 SMDZGAHOHIDLMK-UHFFFAOYSA-N 390.447 4.055 0 1 GIAF Cc1cc(OCCCN2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1 299828837 HKHYBCGUJHZCDJ-UHFFFAOYSA-N 388.515 4.043 0 1 GIAF Ic1cnc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc2c1 586884169 OLHVWXHQCPTZMK-ZZTKVPBPSA-N 379.245 4.030 0 1 GIAF Cc1oc2c(c1-c1nc3ccc(I)cc3[nH]1)C(=O)CCC2 586903557 LIKDQYBNQKCKPU-UHFFFAOYSA-N 392.196 4.255 0 1 GIAF CC1=C(c2ccc3nc(CCSCc4ccc(C)cc4)[nH]c3c2)NNC(=O)C1 586970535 GFAYIEBUWMOHMQ-UHFFFAOYSA-N 392.528 4.103 0 1 GIAF COc1cc(/C=C\c2nc3ccc([C@H](N)N=O)cc3[nH]2)ccc1Br 586975926 HASYUHJBQAPSJX-RJIDQJRZSA-N 387.237 4.228 0 1 GIAF Cc1nn(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(C)c1Br 586978842 KIMHOFXPPOPYCB-UHFFFAOYSA-N 391.166 4.345 0 1 GIAF Fc1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1Br 587039055 BRTHVPQFNRLMGT-ZIAGYGMSSA-N 392.297 4.411 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3cc(OC)c(F)cc3[nH]2)[C@@H]1c1ccccc1Cl 587061985 QUEBTVQDZYYVBK-BLVKFPJESA-N 387.842 4.441 0 1 GIAF Nc1c(-c2nc3cc(F)cc(Br)c3[nH]2)cnc2c(F)cccc12 587176514 OHHJTOAWJWXGJS-UHFFFAOYSA-N 375.176 4.401 0 1 GIAF Cc1cc2c(cn1)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349306 UHYTVRDSCMEXTB-JTHBVZDNSA-N 375.399 4.435 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Br)ccc2NC12CC2 587370237 CTBOVUQSTPQJCA-LJQANCHMSA-N 385.261 4.159 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(C)cccn3c1Br)O2 587371034 CPDYWQYWLNVDFU-CQSZACIVSA-N 386.249 4.002 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(N(C)C)n(-c3ccccc3)c1Cl)O2 587380955 YUFHRAVHOKOAEK-QGZVFWFLSA-N 396.878 4.189 0 1 GIAF O=C1C[C@]2(C[C@H](C(=O)O)Oc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587497496 BERABMDJKOVLQL-DENIHFKCSA-N 398.842 4.315 0 1 GIAF CCc1nn(C)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552033 MLJPDOMEHMXOKR-APWZRJJASA-N 384.819 4.044 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)c(F)cc12 587572089 RNYODFCAJGBEMM-SIKLNZKXSA-N 380.346 4.474 0 1 GIAF C[C@H](C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)OC(C)(C)C 587595397 NJYFIXADRXMYBU-XWIAVFTESA-N 384.428 4.090 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCOCc1ccccc1 587596800 PABTZQULNFGYOR-CTNGQTDRSA-N 376.408 4.329 0 1 GIAF C[C@H](O)Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587606324 DMSMOQYTGJBFPR-JOGUKUGOSA-N 376.408 4.018 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]1SCCS[C@H]12 587617847 LCXNGDCFKOLSDX-WOUAJJJCSA-N 386.494 4.104 0 1 GIAF CCOC(=O)c1c(-c2cc(F)c(F)c(OC)c2F)[nH]c2c(C(=O)O)cccc12 587637166 CYAYAEVGQFAXOT-UHFFFAOYSA-N 393.317 4.136 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cc(F)cc(F)c32)N1 587738558 PHVHZSZQMDDAQK-LZVRBXCZSA-N 398.222 4.427 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccco3)nc2)N1 587776945 ZHKPTTXAMJLYQB-DYZYQPBXSA-N 388.240 4.262 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C1 587792718 CIFLJQBIADTUGY-CKEAHLDZSA-N 398.316 4.317 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(-c2ccncc2)no1 587863198 UFIMNKFIAGIEJZ-UHFFFAOYSA-N 387.321 4.012 0 1 GIAF Cc1c(C(=O)Nc2ccccc2)sc(N)c1C(=O)Nc1ccc(F)c(F)c1 1857610913 RACWPIBBEVYEJD-UHFFFAOYSA-N 387.411 4.422 0 1 GIAF Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)NC1(C(F)(F)F)CC1 1911583307 YTJOTXLVOQDISB-UHFFFAOYSA-N 391.315 4.152 0 1 GIAF COC(=O)C[C@H](C)CC[C@@H]1C(COC(C)=O)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@@]12C 2356606957 KJGJWCMSMYHAKT-QKZKXAEISA-N 394.552 4.279 0 1 GIAF CN(C)C(=O)C[C@]1(O)CCC[C@H](/C=C/[C@](C)(O)CCCCc2ccccc2)C1 13803282 DYNDZRFWNRTMKY-MIKMLFCTSA-N 387.564 4.106 0 1 GIAF CSc1cccc(-c2nc(N3CCC(C(=O)O)CC3)cc3cccnc23)c1 95556173 XQWNWCKWMIKDMT-UHFFFAOYSA-N 379.485 4.320 0 1 GIAF Nc1nc(-c2ccc(Br)cc2)cc(-c2cc3ccccc3oc2=O)n1 103207247 SLGCUSJEGJXDCR-UHFFFAOYSA-N 394.228 4.262 0 1 GIAF NCC[C@H]1CNC(=O)c2cc(-c3cc(Cl)ccc3F)c(-c3ccsc3)n21 143214655 OCDUTTRLHDUQLY-ZDUSSCGKSA-N 389.883 4.309 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@]4(C)[C@H]3CC[C@]12C 299819479 ARCONGNMKCTCRP-ZOGIJGBBSA-N 388.596 4.382 0 1 GIAF CC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 587000199 GQPKDJDJGNYQAT-HNNXBMFYSA-N 397.276 4.252 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587061813 ZXIIADZRYDMXBN-UHFFFAOYSA-N 387.848 4.332 0 1 GIAF Clc1ncc(-c2nc3c(Br)ccc(Br)c3[nH]2)cn1 587086058 QLCCIBZEALVVRY-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc[nH]c(=N)c2[nH]1 587122807 YJECNRZNMNVPLH-UHFFFAOYSA-N 391.378 4.368 0 1 GIAF O=C1c2ccccc2-c2cc(-c3ccccc3[C@H](O)C(=O)O)nc3cccc1c23 587207996 ZTNPSXGQSKCBRH-QHCPKHFHSA-N 381.387 4.231 0 1 GIAF CCOC(=O)c1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587224860 IBBPTSOPOSNEGH-KRWDZBQOSA-N 387.480 4.496 0 1 GIAF Cc1c(NC(N)=O)cccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587239179 IWRMPPLOLZYBPT-UHFFFAOYSA-N 381.180 4.070 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(=O)n(Cc3ccccc3)c1)O2 587382421 PNFXMMWEHVQAGP-HXUWFJFHSA-N 394.858 4.147 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(Br)=COc2cc(F)ccc21 587385051 QXRZMLPVWDCDBY-SFHVURJKSA-N 390.208 4.206 0 1 GIAF COc1cc2c3c(c1)OC1(C[C@@H]4CC[C@@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O 587445627 XDEMCNWSWVAFAD-BJLQDIEVSA-N 375.468 4.008 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccc(Cl)cc3)n1)CC2=O 587460836 ISFJJRBBHFRMFE-IBGZPJMESA-N 383.835 4.285 0 1 GIAF COc1ccc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587494781 AHFHCTZCDHJCNC-MRXNPFEDSA-N 388.261 4.438 0 1 GIAF CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2nsnc12 587537181 BOVVPZVYDSATAE-SFHVURJKSA-N 379.485 4.343 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccccn1 587576306 ILUKAAPPRDIBSA-OFNKIYASSA-N 384.391 4.281 0 1 GIAF CC(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587581256 VHDJOTATPGKZTA-NFBKMPQASA-N 389.407 4.362 0 1 GIAF CCn1ncc([C@]2(CC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587583697 WQRYIMAZGYJQFO-UGKGYDQZSA-N 378.428 4.184 0 1 GIAF Cc1c(CNC(=O)OC(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 587623140 MCIABUWPQDCTGR-UHFFFAOYSA-N 379.258 4.140 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C2CC2)(C(F)(F)F)N1 587706569 QTNAKNAIYOOJAM-AYVTZFPOSA-N 394.206 4.249 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccn(C)c2)(C(F)(F)F)N1 587708285 ARDPKOQVCUJULI-PSLIRLAXSA-N 391.206 4.267 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc(N)ccc32)N1 587744232 GKIKOBPZMPUZFE-WYRIXSBYSA-N 375.285 4.285 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccccn3)nc2)N1 587776022 VQAXXVJFMOTZEU-BBATYDOGSA-N 399.267 4.064 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(O)cc3C2)N1 587836102 ZNBIQFSVCXMPLR-NSPYISDASA-N 376.269 4.212 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2csc(C(=O)O)c2)N1 587844960 CSMDVULWJDOQOF-ZKANADHPSA-N 384.270 4.146 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(C(=O)O)cs2)N1 587846146 GTHDQLPSHDAKIE-PWJLMRLQSA-N 384.270 4.146 0 1 GIAF CC(=O)Nc1ccc(Br)cc1[C@@]1(C)NCCc2ccc(F)c(C)c21 962297500 JIKSZKPXMKHLAL-LJQANCHMSA-N 391.284 4.264 0 1 GIAF Cc1ccnc2c1CCN[C@]21C=C2C=C[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@@H]34)[C@H]2CC1 963085961 IFIRJOOTGBMDLA-MCSNAWINSA-N 390.571 4.441 0 1 GIAF CCOC(=O)CC[C@@]1(Cc2ccccc2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963607780 KGQQSMADORILPS-OSPHWJPCSA-N 397.515 4.019 0 1 GIAF CN1CCc2cn(C)nc2[C@@]12CC(C)(C)N(C(=O)OC(C)(C)C)c1ccccc12 963955309 PDUMKMGSDDGGEK-QHCPKHFHSA-N 396.535 4.075 0 1 GIAF CCCN(CCCCOc1ccc2ccnn2c1)[C@H]1CCc2c(O)cccc2C1 1772570461 JQXMVFBXXAKVDC-NRFANRHFSA-N 393.531 4.468 0 1 GIAF C[C@@H](Oc1ccc(-c2ccc(F)cc2)cc1)C(=O)Cn1nnc2ccccc21 1772597049 BIHZQLSGJFXPJF-OAHLLOKOSA-N 375.403 4.274 0 1 GIAF Cc1ncsc1C(=O)N=c1[nH]n(Cc2ccc(Cl)cc2)c2ccccc12 1857584411 QBWXJMFLSVHYOR-UHFFFAOYSA-N 382.876 4.177 0 1 GIAF COc1cc([C@@H]2c3c(cc(OC)c(OC)c3O)C[C@@H](C)[C@@H]2C)cc2c1OCO2 2356660165 HAPHUWWEOOCTDA-FTLABTOESA-N 386.444 4.107 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215881 ZPCXAUOJBCUVFD-NNWRFLSQSA-N 398.503 4.013 0 1 GIAF CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2C[C@@H]1CCCN1CC 7991853 XHZVBWQBIQFLBX-IBGZPJMESA-N 392.551 4.498 0 1 GIAF CCN(CC)CCCNC(=O)c1ccc2nc(CCc3ccccc3)oc2c1 8611641 QJIUEZOZPQGCMD-UHFFFAOYSA-N 379.504 4.075 0 1 GIAF COc1cc(C)cc2ccc(-c3ccc4c(c3O)[C@H](C)N[C@@H](C)[C@H]4O)c(O)c12 15121593 NNCITNDNYQWFCU-OYMPBJRDSA-N 379.456 4.321 0 1 GIAF biogenic CN(C)CCN1C(=O)c2cccc3nc(-c4ccc5ccccc5c4)cc(c23)C1=O 26294695 MQOXSMNNNPYKOX-UHFFFAOYSA-N 395.462 4.213 0 1 GIAF CCc1noc(-c2ncn3c2CN=C(c2ccccc2)c2c(Cl)cccc2-3)n1 26380962 HNZDUFOFGJINKV-UHFFFAOYSA-N 389.846 4.489 0 1 GIAF COc1ccc(C2=NN(CCc3ccccc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26571127 FDJPZBHXIZZOLP-PMACEKPBSA-N 392.499 4.299 0 1 GIAF CN1Cc2cc(OCCCN3CCC(F)CC3)ccc2[C@H](c2ccccc2)C1 28893086 RELMLKVZHCPAMI-DEOSSOPVSA-N 382.523 4.467 0 1 GIAF N=C(N)c1ccc2c(ccn2CCCCCn2ccc3cc(C(=N)N)ccc32)c1 29464249 UHSPZFSJFNCRRU-UHFFFAOYSA-N 386.503 4.035 0 1 GIAF CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3cc4ccc(C)cc4nc3s2)C1 34858269 CZPIEFCGFFJXAA-OAHLLOKOSA-N 382.485 4.173 0 1 GIAF O=C(c1ccc(-c2ncccn2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 40900403 UCMOHPZCFZTGOA-UHFFFAOYSA-N 383.455 4.040 0 1 GIAF CC(C)N1CCC(Oc2ccc3[nH]c(C(=O)N4CCCCCC4)cc3c2)CC1 40954678 OARMAHSONWWGIV-UHFFFAOYSA-N 383.536 4.436 0 1 GIAF COc1ccc(NC(=O)N[C@@H]2CCN(c3ccnc4cc(Cl)ccc34)C2)cc1 45168925 CONJQRBZKIMYIX-MRXNPFEDSA-N 396.878 4.297 0 1 GIAF CCOC(=O)C1=CN(c2ccccc2)C=C(C(=O)OCC)C1c1ccccc1 45290738 WFUYARDFDRGYFM-UHFFFAOYSA-N 377.440 4.184 0 1 GIAF CCN1CC2=C(NC(=S)N[C@@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 64448651 SQIIYCCGOMTDRN-WVWKGNOCSA-N 389.568 4.495 0 1 GIAF CC(C)CN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccccc2)n1 82133188 RKMJVYDFKRXBKI-QZTJIDSGSA-N 380.536 4.354 0 1 GIAF COC(=O)[C@H]1[C@@H](OC(c2ccc(C)cc2)c2ccc(C)cc2)C[C@@H]2CC[C@@H]1N2C 169367320 BRDDKFGREBLJEO-CWBXHPNXSA-N 393.527 4.434 0 1 GIAF CCOc1ccc(-c2nc(N)sc2-c2cc(OC)c(OC)c(OC)c2)cc1 299850682 CRPRTDCUQNTZEK-UHFFFAOYSA-N 386.473 4.484 0 1 GIAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586961138 FWZCFEBKLFSYDO-YFKPBYRVSA-N 389.790 4.166 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3ccc(OC)cc3C(F)(F)F)[nH]c2c1 587098908 ZWBGMPDAZIEBLQ-UHFFFAOYSA-N 384.379 4.051 0 1 GIAF CSc1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c1 587181856 GBUQZHUQUZAULQ-VIFPVBQESA-N 398.273 4.004 0 1 GIAF C[C@@H]1CCCN(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 587347212 UBUDUEFLUSHARH-AECOYVPUSA-N 383.463 4.381 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(Cc3c(F)cccc3Cl)CC1)O2 587382971 WCRYBEKKWHMUBA-UHFFFAOYSA-N 388.870 4.370 0 1 GIAF COc1cc(C2CCOCC2)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587413133 QAKAMVOGGWYYPK-FQEVSTJZSA-N 397.471 4.195 0 1 GIAF CC1=C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(N)cc2O1 587576511 HDKRXTQSRYWAIF-REWPJTCUSA-N 387.391 4.128 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(-c2ccccc2)n1 587583413 WASMRFOCFHPFOM-NZQKXSOJSA-N 384.391 4.281 0 1 GIAF CCOC(=O)C[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599319 WTIIYHXLHDYFSX-UGKGYDQZSA-N 384.428 4.092 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3nc(Cl)ccc32)N1 587706703 RVWSQAWRPYUZGA-XLFHBGCDSA-N 381.676 4.361 0 1 GIAF CCCn1ncc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587765831 UJMFMEBVPGDWLX-BBATYDOGSA-N 380.305 4.301 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2ccccn2)N1 587774261 VCNKOZHPBSHLQN-RNODOKPDSA-N 398.279 4.204 0 1 GIAF Cc1ccn2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)nc2c1 587776034 VSYXQWZDMCRHCG-BBATYDOGSA-N 388.284 4.476 0 1 GIAF COc1ccc(OC)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587806958 KXJHNPBGCWDLKZ-WLRWDXFRSA-N 394.284 4.403 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3snnc3c2)N1 587858172 OWDCQKYQASKCRK-VPTHRUTESA-N 378.270 4.217 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccnc4ccccc34)n2)cc1 587924240 OAIRMJGSTUSGJB-UHFFFAOYSA-N 381.482 4.397 0 1 GIAF CCCc1cccc2c(-c3cnc(-c4ccc(C(=O)O)c(O)n4)s3)n[nH]c12 653790209 QQPHEVGSIRQBFI-UHFFFAOYSA-N 380.429 4.105 0 1 GIAF CCCN(CCC)C(=O)c1c(CC)c2c(C(=O)OCC)ncn2c2ccccc12 653833444 SXOZDSFZRSCZRC-UHFFFAOYSA-N 395.503 4.489 0 1 GIAF Cc1cc(F)ncc1[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963755 YZWLEHAMRFSJCR-GOSISDBHSA-N 380.385 4.289 0 1 GIAF Clc1ccc2c(N3CCN(Cc4nc5ccccc5[nH]4)CC3)ccnc2c1 1204780234 UGOITXQNEUXWME-UHFFFAOYSA-N 377.879 4.087 0 1 GIAF CC[C@@H](C)C(=O)Nc1ccc(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 1772648155 PBGYEJMTFKGVDY-CQSZACIVSA-N 392.455 4.267 0 1 GIAF O=C(O)C[C@H]1CCN(C2CCC(F)(F)CC2)C[C@@H]1Cc1nc2ccccc2[nH]1 2356309710 GOMHTPLPWCVBEK-CABCVRRESA-N 391.462 4.096 0 1 GIAF CC1=C2C3=C[C@@]4(C)O[C@]5(CC(C)C)NC(=O)[C@]3(C(=O)C[C@@H]2CCCC1)[C@H]5[C@@H]4C 2356728214 CFVDPKHKEWPBHC-YNPANNOESA-N 383.532 4.306 0 1 GIAF Cc1nc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cs1 36382583 LELRIWOVACJYND-UHFFFAOYSA-N 376.441 4.403 0 3 GIAF CCc1cc(-c2ccc(C(=O)CCC(=O)NCc3ccccn3)cc2)ccc1O 29123333 SRVPEDHGZCCZRD-UHFFFAOYSA-N 388.467 4.296 0 1 GIAF O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1Cc1c(Cl)cccc1Cl 29308782 VFFWBGWAHFVKDG-UHFFFAOYSA-N 378.108 4.346 0 1 GIAF Cc1c(COc2cccc(OCC3CCOCC3)c2)[nH]c2ccccc2c1=O 59127726 VHPSMRQSPACDNY-UHFFFAOYSA-N 379.456 4.221 0 1 GIAF O=C(NC1CCCCC1)c1cn2c3c(cccc3c1=O)OC[C@H]2c1ccccc1 95553132 UFJKRSIGVPRPKD-FQEVSTJZSA-N 388.467 4.046 0 1 GIAF Cc1cccc(-c2[nH]c(COc3ccccc3)nc2-c2ccc3ncnn3c2)n1 113388927 UIFMOLLSWLJTOH-UHFFFAOYSA-N 382.427 4.069 0 1 GIAF O=c1oc2ccccc2n1C1CCN(Cc2ccccc2-c2cccnc2)CC1 230564863 SMHVTAOERYLPJX-UHFFFAOYSA-N 385.467 4.494 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896930 MHZMUJUNGWWNGV-UHFFFAOYSA-N 378.453 4.396 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccnc(Cl)c3[nH]2)cc1 586949163 SETDFMBXIBMXJT-UHFFFAOYSA-N 398.875 4.388 0 1 GIAF Cc1ccc(CSCCc2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 586971509 SYDNJNLYIIIORG-UHFFFAOYSA-N 381.545 4.179 0 1 GIAF COc1cc(/C=C\c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1Br 586977553 QTOMTCSXBJVBKD-HYXAFXHYSA-N 399.170 4.265 0 1 GIAF COc1cc2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c2cc1OC 587023620 RRDNQUDEMADIGS-UHFFFAOYSA-N 376.438 4.051 0 1 GIAF N[C@H](c1ccsc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587025232 JRUIPWCXHIVQPP-SNVBAGLBSA-N 392.200 4.334 0 1 GIAF CC(C)Oc1ccc2[nH]c(-c3nnsc3NC(=O)OC(C)(C)C)nc2c1 587040024 YXFZRTBMAMBGFN-UHFFFAOYSA-N 375.454 4.216 0 1 GIAF CC(C)Oc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1 587275855 GOQDLFOKWVNLIP-UHFFFAOYSA-N 390.233 4.101 0 1 GIAF COc1cccnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334923 GCIRNGOGTRJAEW-UGKGYDQZSA-N 379.387 4.209 0 1 GIAF CC1(C)[C@@H]2OCCC[C@@H]2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357958 PCZDBZCXPLXSRK-VARILPKDSA-N 382.431 4.464 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(N3C(=O)c4ccccc4C3=O)c1)O2 587392923 XPHZFTBXYXMJOB-NRFANRHFSA-N 398.418 4.084 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)OCC)(c1ccccn1)CC2=O 587488525 OVCUBCMEINMWEF-QHCPKHFHSA-N 397.471 4.334 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccncc1Br 587540036 GUZMDPXZINRTMG-QFBILLFUSA-N 398.212 4.253 0 1 GIAF CCOC(=O)c1c(-c2cc(F)c(F)c(C)c2F)[nH]c2c(C(=O)O)cccc12 587637654 MPCLWTLYHCCXIF-UHFFFAOYSA-N 377.318 4.436 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3cccc(O)c23)N1 587807593 XNLCTQSSSVPCEQ-DYBLOJMWSA-N 375.241 4.399 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(C(=O)O)cc32)N1 587826020 JGKZXNFVAAODEK-DGIBIBHMSA-N 390.252 4.010 0 1 GIAF Cc1nn([C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1Br 587873222 WCRPDXXGEYNRPT-VIFPVBQESA-N 391.200 3.964 0 1 GIAF COc1ccc(-c2cc([C@@H]3c4cc(OC)c(OC)cc4C[C@@H](C)N3C)on2)cc1 962641823 XUUFSXRXCYXVOS-FATZIPQQSA-N 394.471 4.333 0 1 GIAF CC1(C)Cc2cc([C@@H]3N[C@@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc2O1 962968589 CVIKLGYNJDPYND-KDOFPFPSSA-N 393.817 4.020 0 1 GIAF CCC[C@@]1(c2ccccn2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963170605 BHOWVFZZUDQPHK-UGSOOPFHSA-N 398.812 4.396 0 1 GIAF N#CN1CC(OCc2ccc(-c3ccc4c(c3)OCCO4)cc2)(c2ccccc2)C1 1911578715 DFOHFZNZQQZKIH-UHFFFAOYSA-N 398.462 4.334 0 1 GIAF COCCn1cc(-c2cnc(N)c(O[C@H](C)c3cc(F)ccc3Cl)c2)cn1 1911584930 ALFAMSOWGZNZJZ-GFCCVEGCSA-N 390.846 4.106 0 1 GIAF O=C(Nc1ccc2c(c1)OCO2)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 203475205 DFURVKBUNOBZPH-UHFFFAOYSA-N 398.850 4.357 0 3 GIAF O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCC(N2CCCCC2)CC1 4563705 ZFSVPKAIZQANAG-UHFFFAOYSA-N 396.512 4.098 0 1 GIAF CCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 4792822 VOLQHNFZNZQETD-VXKWHMMOSA-N 389.499 4.005 0 1 GIAF O=S1(=O)N=C(SCc2ccccc2)N(c2ccccc2)c2ccncc21 5934235 YDEGBMJAEUJINN-UHFFFAOYSA-N 381.482 4.211 0 1 GIAF COc1nc2c(c(=O)n1C)N=C(c1ccc(Cl)cc1)C[C@@H](c1ccccc1)N2 6494313 BFPBEFKVWGYBGU-KRWDZBQOSA-N 394.862 4.120 0 1 GIAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(-c2ncccc2C(=O)O)cc1 13560845 WNOVNRNMKSZCHV-UHFFFAOYSA-N 386.455 4.419 0 1 GIAF COc1c(-c2cc3cc4c(cc3oc2=O)OC(C)(C)C=C4)ccc2c1OCO2 14650006 TXZAKQXZHMDDJE-UHFFFAOYSA-N 378.380 4.382 0 1 GIAF biogenic Cc1cccc(-c2nc(COc3ccc(C[C@@H](OC(C)C)C(=O)O)cc3)no2)c1 26472961 IAFWMQLCVYEVEF-LJQANCHMSA-N 396.443 4.045 0 1 GIAF CCN1CCN(CC)[C@H]2c3c(C)c4cc(Br)ccc4n3CC[C@@H]21 27316745 ONHHXZOXMRUAII-PKOBYXMFSA-N 376.342 4.183 0 1 GIAF COC(=O)C[C@@H](c1cccnc1)[C@H](C(=O)N(C(C)C)C(C)C)c1ccccc1 34986386 DRWJYPNKGJSIRQ-RBBKRZOGSA-N 382.504 4.158 0 1 GIAF Cc1cncn1CCCn1c(=S)[nH]c2sc(-c3ccccc3)cc2c1=O 43200981 WHIZZFBTPLZQRE-UHFFFAOYSA-N 382.514 4.383 0 1 GIAF Cc1ccccc1[C@@H]1CCc2c(C(=O)NCC3CC3)cc3c(nc(C)n3C)c2O1 49070969 SPZWXZUOIPQHBF-NRFANRHFSA-N 389.499 4.396 0 1 GIAF Cc1ccccc1OCCNC[C@@H](O)COc1cccc2[nH]c3ccccc3c12 60221560 XVELGNHVADYMIP-GOSISDBHSA-N 390.483 4.038 0 1 GIAF O=C(c1ccc(C2CC2)nc1)N1CC[C@@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21 71316251 AEJSWYYMIDGUTI-JCTONOIOSA-N 376.500 4.252 0 1 GIAF CCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccccc1F 82150784 LJIGEKUPXMULKI-HZPDHXFCSA-N 384.499 4.295 0 1 GIAF C[C@@H]1C(=O)CC[C@@H]2[C@@](C)(COc3ccc4ccc(=O)oc4c3)[C@H](C)C[C@@H](O)[C@]12C 86052704 XYUJBOZUFFMPGO-KFHLJNJVSA-N 398.499 4.200 0 1 GIAF in-man COc1cccc(Cc2cc3c(OC)cc(Br)cc3oc2=O)c1 95578707 RQYLUIOUNCYUQF-UHFFFAOYSA-N 375.218 4.164 0 1 GIAF C[C@H](O)c1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1 96928685 YQGXDIMXGPVNAI-VIFPVBQESA-N 394.258 4.043 0 1 GIAF Cc1nc2ccc(C(F)(F)F)nc2n2c(-c3cc(O)ccc3Cl)nnc12 145726838 IBGPYPKZYDRSAJ-UHFFFAOYSA-N 379.729 4.026 0 1 GIAF COc1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587002204 VCXZBIMFADOQHV-WAYWQWQTSA-N 387.233 4.276 0 1 GIAF N[C@@H](c1ccsc1)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587024658 DKBDWFNPBFGDPK-NSHDSACASA-N 392.200 4.334 0 1 GIAF Cc1onc(-c2nc3nc(Cl)c[nH]c-3n2)c1COc1ccccc1Cl 587063148 FSZMDFSKJXGNLX-UHFFFAOYSA-N 376.203 4.154 0 1 GIAF FC(F)C(F)(F)c1nc2cc(Br)c(Br)cc2[nH]1 587089843 ZTCIOIQJQMOUAA-UHFFFAOYSA-N 375.945 4.445 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc(/C=C/c3ccc(F)cc3F)nc-2[nH]1 587151539 RYAPFEKVXQDWGW-VQHVLOKHSA-N 379.370 4.071 0 1 GIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cc(Cl)cnc3[nH]2)c(O)c1 587240271 HVEGFKHUMOIYJH-UHFFFAOYSA-N 392.846 4.474 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCc4ccc(OC(F)(F)F)cc41)[C@@H](C2)C3=O 587422643 PMAKHHAJGVKOBU-KXBFYZLASA-N 376.330 4.183 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1cccs1)(c1ccccc1C(=O)O)[C@@H](C2)C3=O 587450848 LGHWAWGFIOZMAS-AOMKIAJQSA-N 392.432 4.146 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1-c1ccccc1OC)CC2=O 587482004 YPXRLYWLGVZHKP-NRFANRHFSA-N 378.428 4.246 0 1 GIAF COc1cc(F)c2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567054 BQADXXCYYXAOSX-NZQKXSOJSA-N 392.382 4.343 0 1 GIAF CC[C@@H](C)C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O 587667806 SYEAJWNNAIMJQX-OAHLLOKOSA-N 393.487 4.302 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)(F)F)(C2CC2)N1 587704230 IABQKLMTXDIOFG-GLEZIHRCSA-N 394.206 4.249 0 1 GIAF COc1cccc(OC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587803125 WNMJPPJXSCRLTP-BDJLRTHQSA-N 380.257 4.251 0 1 GIAF COc1cccc(C(=O)c2ccc(-c3nc4cc(OC)c(OC)cc4[nH]3)cc2)c1 587933292 XTRSFXXFCQLWJE-UHFFFAOYSA-N 388.423 4.487 0 1 GIAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@H]3c3c[nH]c4cccnc34)C2)cc1 962647742 WJAQADHHBVVMMZ-CPJSRVTESA-N 380.495 4.399 0 1 GIAF CN1C(=O)C[C@H]2CN[C@]3(C=C(Nc4ccccc4F)CCC3)c3cccc1c32 963031726 OKXSAGBYHCZKIO-NPMXOYFQSA-N 377.463 4.254 0 1 GIAF CC(C)(C)c1cc(C(=O)Nc2cccc(C(=O)NCCN)c2)cc(C(C)(C)C)c1 1772577708 SOLBLPFZVDYENE-UHFFFAOYSA-N 395.547 4.222 0 1 GIAF COC(=O)c1ccc(-c2ccc(CNC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)s2)cc1 1857652866 ZFPCFFYAYKHOLX-SNTCSEMISA-N 397.540 4.375 0 1 GIAF COc1cc(C[C@H](C)N)cc(O)c1-c1ccc(OC)c2c(OC)cc(C)cc12 1911576262 HAIGXFAKOFJSQP-AWEZNQCLSA-N 381.472 4.436 0 1 GIAF CC1(C)CCC[C@]2(C)[C@@H]3C(=C[C@H](OC(=O)C=Cc4ccc(O)cc4)[C@H]12)CO[C@@H]3O 2356324841 LOUSEAQLVXGKPV-MMIGAADJSA-N 398.499 4.055 0 1 GIAF Cc1oc(-c2ccccc2)nc1COc1ccc(CN(O)C(N)=O)cc1Cl 836104 WPGLWGCLSJSKBA-UHFFFAOYSA-N 387.823 4.152 0 1 GIAF C/C(=C\C(=O)Nc1ccccc1OCCCC(=O)O)c1ccc2c(ccn2C)c1 13742315 WTUNMDBZFBHKOL-JQIJEIRASA-N 392.455 4.464 0 1 GIAF CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(C=O)cnc32)CC1 26015963 UYSOOAKLZHYZOH-UHFFFAOYSA-N 380.875 4.090 0 1 GIAF CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCCCC(=O)O 27880647 GTNCJTYUJPEVBG-IBMUKCOMSA-N 380.525 4.031 0 1 GIAF CC[C@H](Cc1ccc(F)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)O 28569427 RBNQEKMPXLGNDQ-CQSZACIVSA-N 397.368 4.428 0 1 GIAF C[C@@H]1CCCN(CCc2cccc3[nH]cc(S(=O)(=O)c4ccccc4)c23)C1 45389323 JBNMIXNIEIEPSS-QGZVFWFLSA-N 382.529 4.275 0 1 GIAF in-vitro CNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccc(Cl)cc1C)O2 49089032 UZBYMPYIDAYSIP-SFHVURJKSA-N 383.879 4.269 0 1 GIAF COc1ccc(/C=C/c2cc(/C=C/c3ccc(OC)c(O)c3)ncn2)cc1O 68246210 CSUGSZLKKUHSNP-FCXRPNKRSA-N 376.412 4.246 0 1 GIAF COc1cc(Nc2nccc3[nH]c(-c4cccs4)nc23)cc(OC)c1OC 82082277 ZVMBMHRBGRPUAU-UHFFFAOYSA-N 382.445 4.456 0 1 GIAF CCc1cnc(-c2cnc(N3CCC(O)CC3)nc2-c2ccccc2C)s1 82177493 GYGJLAKNKMFPOK-UHFFFAOYSA-N 380.517 4.099 0 1 GIAF CN(c1cccnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1 96175682 JYUBMXMQGZJQIM-UHFFFAOYSA-N 383.249 4.259 0 1 GIAF O=C(Nc1cc2cccnc2cc1N1CCCCC1)c1csc2cncnc12 113650419 GGOMKRVCMJCSQQ-UHFFFAOYSA-N 389.484 4.482 0 1 GIAF Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2c(F)cncc2F)s1 142677147 KOECEZLEGQWXJZ-UHFFFAOYSA-N 388.321 4.093 0 1 GIAF O=C(c1cc(-n2ccc3ccccc32)c(O)cc1O)N1CCc2sccc2C1 169343524 OVEQIIQCJMEDEC-UHFFFAOYSA-N 390.464 4.302 0 1 GIAF CN1C[C@](O)(c2ccc(-c3nc4ccccc4s3)cc2)O[C@@H]2CCCC[C@@H]21 169370232 MQFQMFCHONDGDU-NNMXDRDESA-N 380.513 4.382 0 1 GIAF COc1cccc2c(NCc3ccccc3)nc([C@@H]3NCc4ccccc43)nc12 208177833 XZDGFXILSGYRDZ-JOCHJYFZSA-N 382.467 4.443 0 1 GIAF Nc1ccc(-c2ccc3nc(-c4csc([C@@H]5CCCO5)n4)[nH]c3c2)cc1N 587017261 UIZGEUVWQSQQSD-SFHVURJKSA-N 377.473 4.369 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1c[nH]c(C(=O)O)c1)O2 587378618 ORMGVQGUXQJWBI-NRFANRHFSA-N 396.830 4.166 0 1 GIAF O=C(O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(Cl)ccc2O1 587497288 AANMJUXEPPZNMO-JOCHJYFZSA-N 396.826 4.440 0 1 GIAF CC(=O)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC(C)=O 587525238 RDHBDBYCQSEFNJ-OAQYLSRUSA-N 394.423 4.123 0 1 GIAF CC[C@@]1(c2ccc(OCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587526497 XVLHEBXIZFMUKB-QHCPKHFHSA-N 380.440 4.300 0 1 GIAF C[C@@]1(c2c(N)cc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557192 MIUONSJIFQCPJC-NQIIRXRSSA-N 383.350 4.130 0 1 GIAF COc1cc(C)ccc1OCc1nc2c(Cl)c(Br)cnc2[nH]1 587563859 JZQMGUOKKRISOO-UHFFFAOYSA-N 382.645 4.270 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2[nH]ccc2Br)N1 587675704 AXCDFKLSMMPYII-WPPNPWJKSA-N 388.078 4.302 0 1 GIAF CC[C@@]1(c2c(C)nn(C)c2C)N[C@H](C)Cc2cc(Br)c(F)cc21 587756405 KSDPSZFFNWPOBB-MLCYQJTMSA-N 380.305 4.126 0 1 GIAF CCOC(=O)C[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800798 ZHZWHTCKXVHUAW-VOJFVSQTSA-N 386.305 4.317 0 1 GIAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587805712 HGVGHPUCZUFUED-WYRIXSBYSA-N 394.284 4.403 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1ccc(C)n1 587865818 KLBPGGWNAZGKIK-ZDUSSCGKSA-N 392.381 4.374 0 1 GIAF C[C@@H]1Sc2nnc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2N=C1c1ccccc1 653834952 FZNDXSOXXZDUFL-LBPRGKRZSA-N 390.447 4.221 0 1 GIAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@]34CCCc3scnc34)C2)cc1 962633734 GLLURWKOQSFEKF-HYBUGGRVSA-N 387.552 4.470 0 1 GIAF COc1ccc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)c(CC=C(C)C)c1OC 5854584 AUNLUWJOQFJDDA-LJQANCHMSA-N 384.428 4.330 0 3 GIAF biogenic Fc1ccccc1-c1cs/c(=N\c2cccnc2)n1CCCn1ccnc1 13139001 AHWQMRNCOPKAGT-GFMRDNFCSA-N 379.464 4.270 0 1 GIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ccno3)cc2)c1C 13437978 YBRONYXWWAUIFR-UHFFFAOYSA-N 395.440 4.414 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 33820927 MYDNFMZKMBDQPF-VPUMZWJWSA-N 388.548 4.462 0 1 GIAF COc1cccc2c(/C=C/C(=O)N/C=C/c3cn(C)c4ccccc34)cn(C)c12 40860634 YZBZTBDDEYRBSI-LDHFCIDVSA-N 385.467 4.479 0 1 GIAF O=c1nc(SCc2ccccc2)nc(SCc2cccc(Cl)c2)[nH]1 72123210 JKHYSSUZYRXJOO-UHFFFAOYSA-N 375.906 4.403 0 1 GIAF CCCCn1c(=O)c(CC)c(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100643195 AHJSSGHRTFNIFS-IRXDYDNUSA-N 396.531 4.146 0 1 GIAF CCOc1cccc(C2(N3CCN(c4ccccn4)CC3)[C@@H]3CC(C)C[C@H]32)c1 101685203 UYOMNRLIQVSKMQ-HPQVKGSHSA-N 377.532 4.174 0 1 GIAF CCN(CC)C(=O)Cc1c(-c2ccc(OC(C)C)cc2)nn2c(C)cc(C)nc12 201768688 YAUVRJXFBDSRPS-UHFFFAOYSA-N 394.519 4.211 0 1 GIAF Oc1ccc(-c2ccccc2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc1 586899109 TVDLOACOXMNONL-UHFFFAOYSA-N 385.467 4.435 0 1 GIAF Cc1cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2cc1C 586942323 CTTSXYSLKHSXDS-UHFFFAOYSA-N 398.315 4.008 0 1 GIAF CN(C)C(=O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587011602 ATLMXGVJQJHLAB-UHFFFAOYSA-N 391.294 4.028 0 1 GIAF O=C1CSc2ccc(-c3nc4ccc(Br)c(F)c4[nH]3)cc2N1 587043407 LIFYBAYNHMPJGH-UHFFFAOYSA-N 378.226 4.176 0 1 GIAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc5ccccc5cc4[nH]3)n2)cc1 587112857 OREPDGKTXHMHFH-UHFFFAOYSA-N 394.360 4.437 0 1 GIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cccc(O)c4[nH]3)cc2)cc1F 587147036 BYQJSKDGXSZAQQ-UHFFFAOYSA-N 389.430 4.415 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C(C)(C)C 587203289 DUZVFSNEIQEGGY-AWEZNQCLSA-N 397.422 4.366 0 1 GIAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1N1CCCC1 587444983 SWBKYAQXOYECGN-UZUQRXQVSA-N 379.456 4.183 0 1 GIAF CCOC(=O)[C@@H](c1cccnc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587516325 VZIBCEDRVFWTAW-OFNKIYASSA-N 379.456 4.031 0 1 GIAF Cn1ncc2c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc21 587581198 KTBUNMZTRLCQRX-NFBKMPQASA-N 386.407 4.156 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccncn1 587586959 MGVUSLVQIWLJOK-QPPBQGQZSA-N 396.402 4.088 0 1 GIAF O=C(c1cc(C2CC2)nc2ccccc12)n1ncc2ccc(Cl)cc2c1=O 587652688 ZGMUBAXTXIAFAA-UHFFFAOYSA-N 375.815 4.164 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ccnc2N(C)C)N1 587695304 RFQMSISKWKWBSX-XXFAHNHDSA-N 398.707 4.326 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CN(C)C)c2)N1 587740370 JQLZKAUSKWYEJO-BUXKBTBVSA-N 377.301 4.273 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccccn2)N1 587773927 SGYPZUCDMHJSFG-ZMZPIMSZSA-N 377.257 4.006 0 1 GIAF CCOC(=O)C1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CCCC1 587792230 BAZVPJAZMWQVCJ-SGTLLEGYSA-N 398.316 4.461 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C(=O)O)N1 587827947 MDJPFTWCCNICQV-CWTRNNRKSA-N 392.268 4.035 0 1 GIAF CC(C)c1ccc(Cn2cc(COc3ccc4ccc(=O)oc4c3)nn2)cc1 653703931 IIFZCRFRPAGRNH-UHFFFAOYSA-N 375.428 4.135 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1cnn(-c2ccc(F)cc2)c1C 963272290 ZDQUWUGEHQLPBP-NRFANRHFSA-N 385.870 4.391 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCC(=O)O)c1cc(C)c(C)cc1C 963632711 GURMLHVEQHTPOL-BXKMTCNYSA-N 397.515 4.272 0 1 GIAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3noc4cc(C)ccc34)CC2)CC1 1772613876 FJCLYLWFKWDKEV-KESTWPANSA-N 383.536 4.401 0 1 GIAF CCNC(=O)[C@@]1(C)CCCN(C(=O)c2ccc3c(c2)C(C)(C)CCC3(C)C)C1 61903010 LGLHOHQYOJCSOS-DEOSSOPVSA-N 384.564 4.414 0 3 GIAF CCn1cc(SCC(=O)NCCc2ccc(OC)c(OC)c2)c2ccccc21 3581882 NXXOMTUNLWCLJM-UHFFFAOYSA-N 398.528 4.129 0 1 GIAF COc1cc2cc3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)O[C@H]3OC 6483938 JJEHCCQUBCQCHI-JOCHJYFZSA-N 394.379 4.068 0 1 GIAF biogenic O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1scnc1CCc1cnoc1 14946549 ATTGFYAFMOTITM-UHFFFAOYSA-N 399.806 4.337 0 1 GIAF CCCNC(=O)COc1ccc(C(=O)Nc2cccc(F)c2)c2ccccc12 28364165 RHMNEJDZVYLDKE-UHFFFAOYSA-N 380.419 4.136 0 1 GIAF N=C(NO)c1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)c(Br)c1 40394417 ULOJUBFJNBKHEM-UHFFFAOYSA-N 398.260 4.216 0 1 GIAF C[C@@H]1CC[C@@H](C)N1Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O 43204865 GQNKLNZBZDEAMD-HUUCEWRRSA-N 384.483 4.310 0 1 GIAF CCOC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 49035932 STCHMMQIQVRPTC-OAHLLOKOSA-N 393.487 4.402 0 1 GIAF COc1cc(NC(=O)/C=C/c2cccc(OC(F)(F)F)c2)cc(OC)c1OC 49126180 HHDLFOBVNBASOX-BQYQJAHWSA-N 397.349 4.263 0 1 GIAF CC(C)[C@H](C)Nc1cc(-c2[nH]c([S@](C)=O)nc2-c2ccc(F)cc2)ccn1 71317485 ZBJPQFVITVEFPP-JGTBNHKDSA-N 386.496 4.472 0 1 GIAF C[C@@]1(CCOC(=O)c2ccco2)Cc2ccccc2CN1C(=O)c1ccco1 72180342 WNBRUQSJIBKMDI-JOCHJYFZSA-N 379.412 4.077 0 1 GIAF CCCC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1C 84633752 BXODXEHPCOWZET-UHFFFAOYSA-N 380.448 4.438 0 1 GIAF O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C1=NNC[C@H]1c1ccccc1 95558806 ZORTXVXZHGPGRT-HNNXBMFYSA-N 382.876 4.145 0 1 GIAF O=C(Nc1cccc(C(F)(F)F)c1)N1CCc2c([nH]c3ccc(O)cc23)C1 95594925 DABLVTLMMGZULL-UHFFFAOYSA-N 375.350 4.483 0 1 GIAF CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc([C@H]3CCCN3)ccc1-2 96269664 SSALYFTWJFAWDV-OAHLLOKOSA-N 381.505 4.009 0 1 GIAF COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)cc1 103962065 XOVBHFUSRUBIDH-AWEZNQCLSA-N 383.473 4.330 0 1 GIAF Cc1cc(C(=O)O)c2[nH]c(-c3ccc(-c4ccc(OCCO)cc4)cc3)nc2c1 168574018 DPCJMHKDGPSJFJ-UHFFFAOYSA-N 388.423 4.275 0 1 GIAF Brc1cnc(NCCc2ccccc2)nc1Nc1cc(C2CC2)[nH]n1 203003976 GJPSMNZLYKFSMF-UHFFFAOYSA-N 399.296 4.238 0 1 GIAF CC(=O)c1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587002715 YQMSZTLTCCJDNI-DJWKRKHSSA-N 399.244 4.470 0 1 GIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(OCCN(C)C)cc2[nH]1 587076554 WIEINDQUPGDHGI-UHFFFAOYSA-N 395.894 4.318 0 1 GIAF CCOC(=O)/C(=C/N(C)C)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587104149 NSBYTEXFARXOMV-QGOAFFKASA-N 386.451 4.220 0 1 GIAF Nc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 587105131 PKXWFXOHECVVGJ-UHFFFAOYSA-N 380.403 4.323 0 1 GIAF CC(C)(C)OC(=O)N1CC2(Cc3c2nc2cccc4c2c3-c2ccccc2C4=O)C1 587105755 HNJLOUFEMOHWDQ-UHFFFAOYSA-N 398.462 4.491 0 1 GIAF FC(F)(F)c1ccc2ncc(-c3nc4c(S)nc(S)nc4[nH]3)cc2c1 587112380 MDAOGCJDUUAFEO-UHFFFAOYSA-N 379.392 4.164 0 1 GIAF CN(C)CCOc1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587134770 OJSDXJMKLJJBRT-UHFFFAOYSA-N 385.386 4.015 0 1 GIAF COc1cc(-c2nc3cc(OC)ncc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143294 AEYOFFNTSMATHB-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(C)nc4[nH]3)cc2F)c1 587143964 OKRKSZKTAZEEEV-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF Clc1cc(I)cc(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587182830 PBMPXQPYCCZDHG-UHFFFAOYSA-N 398.587 4.217 0 1 GIAF CCCCn1nc(C(F)(F)F)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423125 RCIRUZIVVBLBKK-KZULUSFZSA-N 380.366 4.199 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 587474810 HHBGMBZDPSAXIP-ZSEKCTLFSA-N 375.465 4.078 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3[nH]c(Cl)ncc2-3)N1 587706560 QNISPZULNURFPR-UOWDBTKRSA-N 395.663 4.088 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3ccnc3)cc2)N1 587759210 ZPANVZQBBZDWAA-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-n3cccn3)c2)N1 587759719 MKGNGVODVBCICW-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF CCOC(=O)C[C@@]1(CC2CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799314 RSXRNNUPEFPFJE-HXPMCKFVSA-N 398.316 4.461 0 1 GIAF COc1ccc(OC)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587806264 JKPVQISWBZZMRL-NSPYISDASA-N 394.284 4.403 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc3c(s2)CCC3)N1 587857926 NMMNGJUTULQWBD-HUTHGQBESA-N 381.314 4.331 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1nccc1C 587867117 VTBDRBYXKIVPML-CYBMUJFWSA-N 392.381 4.374 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1cccn1 587867171 XADONYHHLBSXRX-LBPRGKRZSA-N 378.354 4.066 0 1 GIAF CC(C)c1cc(OC(C)(C)C)n(-c2cc(C(=O)O)ncc2Br)c1O 587938782 AFEOFRXYAGADQC-UHFFFAOYSA-N 397.269 4.339 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cnc(-c3cccs3)s2)N1 963229361 KMGKSLPWBVULIS-CRAIPNDOSA-N 393.493 4.108 0 1 GIAF COc1ccc2c(c1)[C@H](c1cccnc1N(C)C)N(Cc1ccc(F)cc1)CC2 963288459 BJLRPQNJOXOEQB-QHCPKHFHSA-N 391.490 4.443 0 1 GIAF COc1cc(CCC(=O)O)ccc1-c1ccc2c(C)nn(-c3ccccn3)c2c1 1772594195 NKHFJCOHWCPRRR-UHFFFAOYSA-N 387.439 4.422 0 1 GIAF COCCN1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1c[nH]c2ccccc12 1857576412 DBUHXWMFOUQOQF-QFIPXVFZSA-N 394.515 4.364 0 1 GIAF CN(C)c1ccc(-c2cnc3cnc(-c4cnn(Cc5ccccc5)c4)cn23)cc1 1857589219 HHSHOOGYAXWYLW-UHFFFAOYSA-N 394.482 4.374 0 1 GIAF Cc1ccc(Nc2ncnc3sc4c(c23)CCN(C)C4)c(Br)c1 1857605424 MPMXQSYABYMTFC-UHFFFAOYSA-N 389.322 4.494 0 1 GIAF CC[C@@H]1CCCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857647599 ZERAOIGILUKWOF-PBHICJAKSA-N 386.442 4.082 0 1 GIAF CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCC2=COC(=O)C2)[C@]2(C)CCCC(C)(C)[C@H]12 2356431022 ZBICKXGNEGEFRD-UXGNKHCNSA-N 378.509 4.133 0 1 GIAF CC(C)=CCn1c2ccc(NC(=O)Nc3ccc(N(C)C)cc3)cc2c(=O)n1C 61895906 LMLZVHCIUSQOMJ-UHFFFAOYSA-N 393.491 4.016 0 3 GIAF COc1ccc(C[C@@H](N)c2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1 61905662 XZNKERNEDMSVIC-MRXNPFEDSA-N 386.452 4.177 0 3 GIAF CC[C@@H](C(=O)NC(C)(C)C)n1c(-c2ccc3c(c2)OCO3)nc2ccccc21 95600101 KDVHEBDOPHLPJA-INIZCTEOSA-N 379.460 4.298 0 3 GIAF O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1ccsc1 774994 LXJAOERXBBLWAX-JKSUJKDBSA-N 386.448 4.243 0 1 GIAF COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC(C)C)c(OC)c1 776853 LNOHDMFIQKNZFX-UHFFFAOYSA-N 384.407 4.303 0 1 GIAF Cc1ccc(S(=O)(=O)N(C[C@H](O)c2ccccc2)c2ccccc2F)cc1 6522603 SIRZVLZKALFINI-NRFANRHFSA-N 385.460 4.063 0 1 GIAF CC1CCN(c2ccccc2[C@@H](C)NC(=O)Cc2ccc(C(=O)O)cc2)CC1 27617289 CKEABFAFOPPWSH-QGZVFWFLSA-N 380.488 4.041 0 1 GIAF COC(=O)c1cccc(-c2nnc(C(=O)CCCCCCc3ccccc3)o2)n1 40875925 JKQNNHXFHZHSAS-UHFFFAOYSA-N 393.443 4.294 0 1 GIAF Cc1ccccc1CNc1ncnc2c1nc(CC(C)C)n2C[C@@H]1CCCO1 82180341 RURYBAJQZBGFTD-SFHVURJKSA-N 379.508 4.124 0 1 GIAF CNC(=O)/C=C\c1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12 84651827 KNACLJBHKVSTDL-ARJAWSKDSA-N 380.448 4.234 0 1 GIAF Cc1ccnc(NC(=S)NC2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 95570437 OJFMRAIVOLJWET-UHFFFAOYSA-N 394.466 4.364 0 1 GIAF Nc1nc(-c2ccccc2)cc(-c2ccc([C@H]3NC(=O)c4ccccc4N3)cc2)n1 96909906 RVWPHAKANQACIM-JOCHJYFZSA-N 393.450 4.247 0 1 GIAF CC(C)(C)NC[C@H](O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 147151449 YVOHBCTWYARGSA-HNNXBMFYSA-N 393.524 4.011 0 1 GIAF CCCc1nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2n1C 223507606 FJNVAWAOWNBJEP-UHFFFAOYSA-N 391.446 4.395 0 1 GIAF c1ccc2c(c1)N[C@H]([C@@H]1O[C@@H]3CCCN3[C@H]1[C@H]1Nc3ccccc3S1)S2 263607833 SKSITQFSDMBHNB-UEDWAMCQSA-N 383.542 4.264 0 1 GIAF Oc1nc2sc(Cl)cc2c(N[C@@H]2CCCNC2)c1-c1nc2ccccc2[nH]1 299829320 JCHWETQOLSPUBV-SNVBAGLBSA-N 399.907 4.363 0 1 GIAF CCOc1cc(/C=C/c2nc3ccnc(O)c3[nH]2)cc(Br)c1OC 586978448 SGTJCAXFVNFTRJ-SNAWJCMRSA-N 390.237 4.004 0 1 GIAF CC(=O)N[C@H](Cc1nc2cc(C)c(F)cc2[nH]1)c1ccc(Br)cc1 586985811 SCBSOECMHGRXNM-OAHLLOKOSA-N 390.256 4.193 0 1 GIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 587241461 CTMFOBROKKABKN-UHFFFAOYSA-N 387.367 4.120 0 1 GIAF CCOC(=O)c1[nH]c2ccc(C)cc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587396779 PGNOTHVABNLUGL-GOSISDBHSA-N 378.428 4.250 0 1 GIAF CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399101 HWKXQLAUARJNOX-MBSDFSHPSA-N 381.472 4.032 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4ccc(N(C)C)cc41)[C@@H](C2)C3=O 587431156 ZBWMFYRLDXKJIF-OFVILXPXSA-N 383.447 4.433 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)([C@H](C)C(=O)OC)CC2=O 587475614 BECURCSXTUTJPF-QKFKETGDSA-N 398.455 4.023 0 1 GIAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1OC 587521452 CBKZJBXMBJYGAA-QHCPKHFHSA-N 382.456 4.472 0 1 GIAF CC(=O)N(c1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cs1)C1CC1 587535446 KVKMRGMURSBEKM-LJQANCHMSA-N 382.485 4.244 0 1 GIAF Cc1nc2ccccn2c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588783 SGYXHWLNHZJYSB-XXBNENTESA-N 386.407 4.225 0 1 GIAF Cc1cnc2[nH]cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587592514 YZOAJLUGBQJJKJ-CVDCTZTESA-N 386.407 4.454 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C(c2cccnc2)(c2cccnc2)N1 587773126 IDVQJDRLBBGWOO-ZDUSSCGKSA-N 398.279 4.204 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C(C)(C)C)nc2)N1 587773840 KEQUEHGHDVATGG-HWPZZCPQSA-N 378.289 4.299 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@@]2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587800843 ZYGWNYCHXNGOFR-BVRBVLIYSA-N 384.289 4.071 0 1 GIAF CC(=O)Nc1ccsc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587845385 QWEWIYOMEYGMML-AYVTZFPOSA-N 383.286 4.232 0 1 GIAF Cc1c(Sc2cccc(C(=O)O)n2)c2c(F)cccc2n1-c1ccn(C)n1 1772636920 KRXCQNKYYTXPBK-UHFFFAOYSA-N 382.420 4.056 0 1 GIAF O=C(NCc1cccc(Cl)c1)[C@@H]1Cc2c(-c3cccc(F)c3)ccnc2O1 61902205 BWTRNBYNBMIGBT-IBGZPJMESA-N 382.822 4.161 0 3 GIAF C[C@@H](CC(=O)Nc1ccc2c(c1)c(=O)n(C)n2-c1ccccc1)c1ccccc1 61907756 PDOCMGCDOUHFBG-KRWDZBQOSA-N 385.467 4.462 0 3 GIAF C[C@H]1[C@@H](NC(=O)Nc2ccc(Cl)cc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 206045301 LTYPPHZOJRQJJI-BBTHKVSRSA-N 389.927 4.421 0 3 GIAF CC(C)CC(C/C=C1/C[C@@](CO)(COC(=O)C(C)(C)C)OC1=O)CC(C)C 1659273 XKEOGEXDEKIDNA-JVGWPHRLSA-N 382.541 4.279 0 1 GIAF CCCOc1noc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc12 3633462 MOLSIBMDDPYHTL-UHFFFAOYSA-N 396.491 4.401 0 1 GIAF C[C@]12CC[C@@H]3c4cc(OCC(F)(F)F)c(O)cc4C(=O)C[C@H]3[C@@H]1CC[C@@H]2O 5822476 HXKISEUWNSOHQL-XLVSEUFYSA-N 384.394 4.191 0 1 GIAF CCO[C@@H]1OC(=O)c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c21)OCO4 6018153 JJXCEOLNFSCNNE-JOCHJYFZSA-N 392.363 4.170 0 1 GIAF biogenic O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1NCCc1c[nH]c2ccccc12 26294626 LDENWABUYQBHOJ-XMMPIXPASA-N 394.478 4.116 0 1 GIAF COc1cc(/C=C2\CCCn3c2nc2ccc(Cl)cc2c3=O)cc(OC)c1O 28568597 FZBCJQVZEZGITR-MDWZMJQESA-N 398.846 4.107 0 1 GIAF Cc1ccccc1-c1nc2ccccc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 28711882 VAJKBFRUBTWIIA-IBGZPJMESA-N 375.516 4.492 0 1 GIAF COc1cccc(Nc2nccc(C3=C(c4ccccc4)NN4C=CC=C[C@H]34)n2)c1 28976004 QDZRCFLKKSTOTH-OAQYLSRUSA-N 395.466 4.369 0 1 GIAF NCc1cccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)c1 34010434 IQFJZKSDDHHGJU-HSZRJFAPSA-N 397.526 4.496 0 1 GIAF CCN(CC)Cc1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1 40431387 COOFWQXXHSPUHN-UHFFFAOYSA-N 390.466 4.021 0 1 GIAF CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(OC)nc2)c1 43016412 IGUNWZMHTGDLML-UHFFFAOYSA-N 380.492 4.262 0 1 GIAF COc1cc2c(=O)cc(-c3ccc4c(c3)OCO4)oc2c2c1OC(C)(C)C=C2 59729768 CKTFYXPCWPPHAT-UHFFFAOYSA-N 378.380 4.382 0 1 GIAF biogenic COc1cc(-c2nc(CN3CC[C@@H]4CCCC[C@@H]4C3)co2)cc(OC)c1OC 72181562 UACPQLTZPMDTMX-JKSUJKDBSA-N 386.492 4.380 0 1 GIAF CCC(=O)[C@H]1[C@@H](c2ccc(/C=C/I)cc2)C[C@H]2CC[C@H]1N2 100911805 ZSIIPJGEQMLBAQ-AQPDCCQGSA-N 395.284 4.296 0 1 GIAF O=C(NC(=O)N(SN1CCCCC1)c1ccccc1)c1c(F)cccc1F 103202030 QBVJQHJKLRMBIB-UHFFFAOYSA-N 391.443 4.370 0 1 GIAF Cc1ccc2[nH]c(-n3[nH]c(C)c(Cc4ccc(C(F)(F)F)cc4)c3=O)nc2c1 169330074 HVRCJNKKIADYID-UHFFFAOYSA-N 386.377 4.268 0 1 GIAF Nc1cncc(Sc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1 224789148 WYTLODUAWHKGKW-UHFFFAOYSA-N 390.447 4.055 0 1 GIAF COc1cc(OC)c([C@H]2CC=Cc3cc(OC)c(OC)c(OC)c32)cc1OC 238774507 NNRIXDXVJQTLOC-CQSZACIVSA-N 386.444 4.287 0 1 GIAF O=C(OCCCF)[C@H]1[C@H]2CC[C@@H](C[C@H]1c1cccc(/C=C\Br)c1)N2 253798467 VKZWZSZGPDLBNV-DATVLINLSA-N 396.300 4.179 0 1 GIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Cl)cc(C)c3[nH]2)c1 586931068 UGEIDCPQXRPIBZ-UHFFFAOYSA-N 377.897 4.222 0 1 GIAF Clc1ccc(OCc2nc3cc4c(cc3[nH]2)OCCO4)c(Br)c1 586975577 GBTQVFILDAYATJ-UHFFFAOYSA-N 395.640 4.329 0 1 GIAF O=c1ccc(-c2nc3cc(F)cnc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587054540 IDXQSYBAWSYMOX-UHFFFAOYSA-N 389.217 4.281 0 1 GIAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cccc(OCc3ccccc3)c2[nH]1 587093799 HAZMCRJPAOBHFL-GFCCVEGCSA-N 377.366 4.272 0 1 GIAF CC(C)(C)c1ccc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)[nH]c2n1 587112982 XDAGTCZNFIQRBK-UHFFFAOYSA-N 376.382 4.204 0 1 GIAF C[C@@H](F)[C@H](N)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587126072 VOSCXTUKACHCMP-HWPZZCPQSA-N 378.245 4.262 0 1 GIAF COc1c(F)ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1N 587132923 KXONQDJXHVQEPY-UHFFFAOYSA-N 376.260 4.009 0 1 GIAF CC(C)COc1cc2[nH]c(-c3ccc(N(C)C)cn3)nc2cc1Br 587195258 SMGIUEXGWCEKPA-UHFFFAOYSA-N 389.297 4.488 0 1 GIAF CNc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1N 587339434 RTLZWBBKIWBVSK-FYYLOGMGSA-N 392.430 4.430 0 1 GIAF CC[C@]1(c2cn(C)nc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342458 NPVINAFMRMMZFI-IFMALSPDSA-N 380.419 4.238 0 1 GIAF CCOC(=O)C[C@@]1(CC2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347044 KUHQUJRTMGSZMG-FYYLOGMGSA-N 398.430 4.382 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)ccc1F)[C@@H](C2)C3=O 587424836 VZFANAGMRKYUSO-UGSOOPFHSA-N 377.209 4.260 0 1 GIAF O=C1C[C@]2(C[C@@H](C(=O)O)Oc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587497503 BERABMDJKOVLQL-SIKLNZKXSA-N 398.842 4.315 0 1 GIAF COC(=O)C[C@]1(C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587497742 GIHNPCXNYIQRPN-INIZCTEOSA-N 392.320 4.030 0 1 GIAF COc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587544497 DXNAXHMXWDBYQH-QFBILLFUSA-N 383.787 4.152 0 1 GIAF Cc1c(C=O)c2ccccn2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590078 XGZIUQZSPXDXNK-HYBUGGRVSA-N 399.402 4.469 0 1 GIAF CC1(C)[C@H]2CC[C@@](C(=O)O)(C2)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587612403 UXKSGARWBZVJJR-CMXFLFKJSA-N 394.423 4.004 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(F)ccc(F)c32)N1 587727388 BZCMZLBOASTUGT-NIVTXAMTSA-N 398.222 4.427 0 1 GIAF COc1cc(F)c2c(c1)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587737471 FMOZJTQXOGVTKX-GIGQVBGESA-N 394.259 4.460 0 1 GIAF CC(=O)Nc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587741183 GGUOFRAIYLBZLF-MGNBDDOMSA-N 377.257 4.170 0 1 GIAF COc1ccc2c(c1)C[C@]1(C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587805809 GBXOIJBDFICSSW-WYRIXSBYSA-N 376.269 4.125 0 1 GIAF Cc1cccc2c1OCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587831969 AQHFNEZXRRVVJE-BLVKFPJESA-N 376.269 4.457 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(CN(C)C)cs2)N1 587848618 OSLANEBBTSRDCD-BMLIUANNSA-N 383.330 4.335 0 1 GIAF Oc1ccc(OCCc2ccccc2)n1-c1cnc(Cc2ccc(F)cc2)nc1 587944470 CMUKAJGVGWHHHV-UHFFFAOYSA-N 389.430 4.324 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(C(C)(C)c3ccccc3C)[nH]c2c1 587955568 QDOPHXAEHOJGRH-UHFFFAOYSA-N 385.533 4.276 0 1 GIAF CN(C)S(=O)(=O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587962706 WGPJMRQMBVHBLT-UHFFFAOYSA-N 391.496 4.071 0 1 GIAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1 587968122 VHIJIHOYFASKFB-SQWLQELKSA-N 395.484 4.052 0 1 GIAF COc1cc2c(cc1OC)[C@](C)(C[C@@H](CC(=O)O)c1ccccc1)N(C)[C@H](C)C2 962630079 RQDLGPJUFHXGRW-XKPFWTEKSA-N 397.515 4.444 0 1 GIAF CC(C)c1nn(C)c2c1[C@@](c1ccc(F)cc1)(c1ccc(Cl)cc1N)NCC2 962920323 RQYUMCJCRMOMJL-JOCHJYFZSA-N 398.913 4.356 0 1 GIAF COC(=O)c1ccc(-c2nn3ccccc3c2C(=O)OC2CCCCC2)cc1 1772616651 DFBDIGBCYKKKJP-UHFFFAOYSA-N 378.428 4.277 0 1 GIAF CC(C)CN1CCc2c(ccc3n[nH]cc23)[C@H]1c1ccc(/C=C/C(=O)O)cc1 1857576913 RCBNCCPONMMSJD-HAOIVFDCSA-N 375.472 4.264 0 1 GIAF O=C(Nc1ccc2nc(O)n(CCC3CCCCC3)c(=O)c2c1)c1ccccc1 1857614316 XPKYOHFDMDFUIN-UHFFFAOYSA-N 391.471 4.325 0 1 GIAF CC(=O)[C@@H]1C[C@H](O)[C@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@H]4CC3)CC[C@@]12C 2356445464 CFKGOPCMHMUILV-DMDPWHOSSA-N 384.516 4.287 0 1 GIAF COc1cc([C@@H]2c3c(cc(OC)c(OC)c3O)C[C@H](C)[C@@H]2C)cc2c1OCO2 2356660166 HAPHUWWEOOCTDA-OAVHHTNSSA-N 386.444 4.107 0 1 GIAF CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)NC[C@@H](O)CC)c1 775197 XWZCHLWYNILWPH-HNNXBMFYSA-N 398.434 4.047 0 1 GIAF CN(CCCCOCC(=O)O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 1553985 WPZXTFRRQFGRER-UHFFFAOYSA-N 391.471 4.128 0 1 GIAF O=C(OCc1ccccc1)[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21 13455202 BOCRIMBCASJYAV-SWLSCSKDSA-N 380.227 4.089 0 1 GIAF Cc1cccc(C)c1C(=O)c1c(C)n(CCN2CCOCC2)c2ccccc12 13742552 ZBHSHHLFIVULKY-UHFFFAOYSA-N 376.500 4.130 0 1 GIAF CCN1CCCCC[C@@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 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O=C(O)C[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)c1ccccc1Cl 261126933 KKGMEBKMMUWKBW-SFHVURJKSA-N 396.830 4.473 0 1 GIAF O=C(CNCCc1ccccc1O)N1CCc2ccccc2[C@H]1C1CCCCC1 299832702 KFXUEXNAZJFJDS-RUZDIDTESA-N 392.543 4.231 0 1 GIAF O=Cc1ccc(OCc2occc2-c2nc3cncc(Br)c3[nH]2)cc1 586901691 XOIGNHQJEOYWQD-UHFFFAOYSA-N 398.216 4.372 0 1 GIAF Oc1ccc(C2(c3nc4cc(Br)cc(F)c4[nH]3)CCOCC2)cc1 586913140 NCYRNCUFIKELPX-UHFFFAOYSA-N 391.240 4.267 0 1 GIAF CC(=O)N[C@H](Cc1nc2ccc(C)c(C)c2[nH]1)c1ccc(Br)cc1 586983962 BHLHAMRIGLLYGO-QGZVFWFLSA-N 386.293 4.362 0 1 GIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](C(=O)C(F)F)CCC3 586987520 YCBRPOWYQBRCCP-ZDUSSCGKSA-N 379.362 4.406 0 1 GIAF Cc1c(F)ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587004554 WSYSMYWWEQTNAN-JTQLQIEISA-N 389.224 4.408 0 1 GIAF N[C@H](c1ccsc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587025776 QMZHZGCSYFTTQP-SNVBAGLBSA-N 376.201 4.454 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(F)cnc3[nH]1)N2 587032448 SWWJYHIUYFZJTB-DAVUEJTQSA-N 389.481 4.224 0 1 GIAF COC(=O)c1cc2nc(COC(F)(F)F)[nH]c2c(F)c1Nc1ccccc1 587122915 FJCPTAIQEFEJJV-UHFFFAOYSA-N 383.301 4.269 0 1 GIAF CC(C)[C@@H](c1nc2ccc(C(=O)O)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587197750 MESYBUXCPKEWGS-SFHVURJKSA-N 381.432 4.227 0 1 GIAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(F)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587238403 DAYOIJIVMZIREL-QSZISKGPSA-N 389.471 4.257 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@@H](C)C(=O)OC)CC2=O 587479160 KTJRYQFISIXFQB-NPMXOYFQSA-N 382.456 4.101 0 1 GIAF Cc1cc(C)cc(OCc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587564647 NSAZEJCUBIXUNT-UHFFFAOYSA-N 384.379 4.052 0 1 GIAF CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600984 CGQVVUMPWVNYDS-UOGRCSNTSA-N 378.424 4.118 0 1 GIAF Cc1cc(C(=O)O)cc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605958 CGDJCXYTYQAJGN-KNQAVFIVSA-N 390.391 4.410 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3c(cnn3C)cc2F)N1 587729292 GSNLIHGVYHPNRZ-NIVTXAMTSA-N 392.247 4.238 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)N1 587750662 UVNYKHCAPJXYCN-FEUHOPSXSA-N 387.293 4.077 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-n2cccn2)N1 587756718 FCYZKDJWLYXGNR-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCN(C3CCCC3)C2)N1 587768793 MNFUMFFPMNLPFK-BFUOFWGJSA-N 381.333 4.356 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2ccccn2)N1 587769874 GXPOCQYMCRNIBX-XCLFUZPHSA-N 398.279 4.204 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587798938 QFOMEXFHDCIZGY-GWSNDMCOSA-N 398.316 4.317 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587819581 BFTCQPQQBTXCEJ-NWQIDAAFSA-N 382.317 4.135 0 1 GIAF Cc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587836543 WICZCFRGLKEOEC-BLVKFPJESA-N 376.269 4.457 0 1 GIAF Nc1nccn2c(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)cnc12 653687464 OUMBCXAOAFVKKP-UHFFFAOYSA-N 397.360 4.250 0 1 GIAF COCCCN1CCc2ccc(OC)cc2[C@]1(c1ccccc1)C(F)(F)F 961329321 YOUJHDPJOMXRNU-HXUWFJFHSA-N 379.422 4.396 0 1 GIAF N=c1[nH]c(CCc2ccccc2OCc2ccccc2)c(-c2ccccc2)c(=N)[nH]1 1857576987 MBMDTWMSDUIOQM-UHFFFAOYSA-N 396.494 4.333 0 1 GIAF Cc1nc(-c2ccco2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccccc2)n1 2356300741 OCZDHSMOAFGDEB-PWRODBHTSA-N 388.515 4.013 0 1 GIAF CCCNC(=O)[C@]1(C)CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 61908685 XQSJKSKZUPIRRL-OAQYLSRUSA-N 390.955 4.307 0 3 GIAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccccc1 774017 UFVXXZQCJLYHDG-BEFAXECRSA-N 394.471 4.154 0 1 GIAF O=C(NCCCN1CCCCC1)c1oc(=O)c2ccccc2c1-c1ccccc1 4972064 HJVIUOYPCWZRFL-UHFFFAOYSA-N 390.483 4.066 0 1 GIAF NCc1cccc(C2CCN(C(=O)c3cncc(CCc4ccccc4)c3)CC2)c1 12080875 CCLHROFBSWWOQO-UHFFFAOYSA-N 399.538 4.345 0 1 GIAF in-vivo CC[C@@H](Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1)[C@@H](O)C(C)C 13974088 CCMLBTWPLDKEBS-MJGOQNOKSA-N 396.539 4.227 0 1 GIAF COC(=O)c1ccc(Br)cc1-[n+]1ccc2c(c1)[nH]c1ccccc12 14685492 WOIYXANTVKQWBK-UHFFFAOYSA-O 382.237 4.147 0 1 GIAF CC(C)(C)CN1CCC(Oc2ccc(C(=O)N3CCCO3)cc2Cl)CC1 14978169 UGKVMROKRKEHBC-UHFFFAOYSA-N 380.916 4.007 0 1 GIAF CCc1cc(OCCc2cccc(O)c2)cc(OS(=O)(=O)c2ccccc2)c1 27100917 AJYIUTIEFHEXAP-UHFFFAOYSA-N 398.480 4.344 0 1 GIAF O=C(O)c1ccc(Cn2cnc3ccc(C=C=Cc4ccccc4)cc3c2=O)cc1 29133029 WGABLHIJVWTAKI-UHFFFAOYSA-N 394.430 4.469 0 1 GIAF CCOC(=O)c1cc(COc2cc(C(F)(F)F)nc3c(F)cccc23)on1 40899098 FXSJDKWMQKXYQI-UHFFFAOYSA-N 384.285 4.136 0 1 GIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1nscc1NCc1ccccn1 40913623 ZKOHFSUXKNENLV-UHFFFAOYSA-N 378.379 4.421 0 1 GIAF Cc1ccc(-n2ccc3nnn([C@@H](C)c4ccc5ncccc5c4)c3c2=O)s1 84653029 KQXCXQZMDWFXKY-AWEZNQCLSA-N 387.468 4.110 0 1 GIAF C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)c(Br)cc4[C@H]3CC[C@@]21C 90132252 GBWFPAZWDFDHNA-BKRJIHRRSA-N 375.306 4.375 0 1 GIAF CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)COC(=O)c2ccccc2C(F)(F)F)C1 102475528 RPCVGCKFVBBJOD-YJYMSZOUSA-N 383.410 4.289 0 1 GIAF O=C(NC[C@@H]1CCCO1)c1cc2c3ccccc3nc-2c(-c2ccc(F)cc2)[nH]1 102609563 UTRZMYUYKQTKPQ-INIZCTEOSA-N 389.430 4.383 0 1 GIAF O=S(=O)(c1cccc(C(F)(F)F)c1)c1cc(F)c2oc3c(c2c1)CNCC3 147510397 RZMRFINSWCDZGH-UHFFFAOYSA-N 399.365 4.069 0 1 GIAF CN1Cc2cc(CN3CCOCC3)ccc2[C@@H](c2ccc3sccc3c2)C1 165268388 VGAJKWKQOHMKHS-JOCHJYFZSA-N 378.541 4.311 0 1 GIAF O=C1O[C@@H](CN2C=CN3CCCCC[C@H]32)CC1(c1ccccc1)c1ccccc1 169351845 OJMXVAUEGJBCIM-DHIUTWEWSA-N 388.511 4.277 0 1 GIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(C)(C)C)nc2)n1 221304434 NXVVSOKQKZSNHO-GOEBONIOSA-N 383.496 4.323 0 1 GIAF COC(=O)Nc1cc(NC(=O)Nc2cccc(NC(=O)OC)c2C)ccc1C 238772411 NEOUSTIQEZVXQA-UHFFFAOYSA-N 386.408 4.304 0 1 GIAF Cc1sc2nc(CCCCN3CCN(c4ccccc4)CC3)nc(O)c2c1C 299855343 AXGYSYZIFFKCAU-UHFFFAOYSA-N 396.560 4.159 0 1 GIAF CC1=C(c2ccc3nc(CSc4ccc(C)cc4C)[nH]c3c2)NNC(=O)C1 586964335 APDPBUKCYOFCNG-UHFFFAOYSA-N 378.501 4.228 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(O)cc3[nH]1)N2 587032456 SXBBNXVOASOQGO-QOUOVQQFSA-N 386.502 4.395 0 1 GIAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(F)cnc3[nH]2)c(C2CC2)n1 587230211 PXCGAPHKYMRLPJ-UHFFFAOYSA-N 383.427 4.061 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccnc4c(Br)cccc14)[C@@H](C2)C3=O 587417034 IMALQLRDTCQWMA-XOBRGWDASA-N 396.240 4.495 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3cc(C(=O)OC)ccc13)CC2=O 587487896 YKHCAUJSRFSTAQ-QHCPKHFHSA-N 393.439 4.493 0 1 GIAF Cc1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1C(=O)c1cnn(C)c1 587627678 ICWNWEZQUSUDOB-UHFFFAOYSA-N 375.272 4.478 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccccc2Cl)N1 587692596 BKYDKRWCGATNSR-HUTHGQBESA-N 398.659 4.104 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C[C@H]2N=O 587744015 YOBUKTYXOJLIOH-QEIWDELWSA-N 375.241 4.057 0 1 GIAF COc1ccc(O)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587806271 JKRTZGQKTQQMMB-MLCYQJTMSA-N 380.257 4.100 0 1 GIAF Cc1cc(C(=O)O)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587825388 HTXQRVLYRXAHOL-BMLIUANNSA-N 378.241 4.218 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](C(=O)O)C(C)(C)[C@H]2C)N1 587828456 SRBUKLCPTBXDNM-NTYADDQOSA-N 398.316 4.475 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587845680 FKWYQPHKHQGODA-AYVTZFPOSA-N 384.270 4.060 0 1 GIAF CC(C)(C)n1nc(CN2Cc3ccccc3S2(=O)=O)cc1-c1ccccc1 1772602467 HGIZKHHGKZZEDS-UHFFFAOYSA-N 381.501 4.010 0 1 GIAF COc1cc(N[C@H](C)CCCNC(=O)Nc2ccc(O)cc2)c2ncccc2c1 1772654406 CAXWXAINEKXQLG-OAHLLOKOSA-N 394.475 4.351 0 1 GIAF Cc1ccccc1N=c1[nH]c2ncn(-c3c(C)cccc3Cl)c(=O)c2s1 1857606503 HLIXSIFNDNNFGE-UHFFFAOYSA-N 382.876 4.278 0 1 GIAF O[C@@H](CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(F)c2ccccc12 1857632649 LGUBCUVWGHAMJK-QHCPKHFHSA-N 382.454 4.364 0 1 GIAF CCCN1CC(=O)Nc2cc(OC)c(Br)cc2[C@@H]1c1ccccc1 1911579591 QZBCJLFGCIXSHD-IBGZPJMESA-N 389.293 4.211 0 1 GIAF CC1(C)CCC[C@]2(C)[C@@H]3C(=C[C@H](OC(=O)C=Cc4ccc(O)cc4)[C@H]12)CO[C@H]3O 2356324838 LOUSEAQLVXGKPV-KIPYVPQSSA-N 398.499 4.055 0 1 GIAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)C3=C(C)[C@H]([C@]4(C)CCCC(C)(C)C4)CC[C@@H]1[C@H]32 2356790603 FTKZQDPLZKVCTJ-LGEWAXMMSA-N 376.493 4.354 0 1 GIAF Cc1cccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c1C 13781960 KBZHONVGLLJDPW-UHFFFAOYSA-N 376.500 4.130 0 1 GIAF CC(C)N1CCC(CCOc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1 40933550 CTDRCPWXRQXFDZ-UHFFFAOYSA-N 389.927 4.194 0 1 GIAF O=C1N(CCN2Cc3ccccc3C2)CCN1c1cscc1-c1ccccn1 43064586 KWAFUBLIEZQFJO-UHFFFAOYSA-N 390.512 4.068 0 1 GIAF COc1ccc(Oc2nc(NCC3CCCCC3)nc(N3CCCC3)n2)cc1 82066868 JQDWHFRAICOFJM-UHFFFAOYSA-N 383.496 4.265 0 1 GIAF COC(=O)C1=C(Nc2ccccc2)C(=O)N(C2CCCCC2)[C@H]1c1ccccc1 84713195 ZDMGSPYFINIUIL-QFIPXVFZSA-N 390.483 4.442 0 1 GIAF O=C(C[C@@H](c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccc(Cl)cc1 95580232 XXNYRTJHKXLHJA-AWEZNQCLSA-N 381.211 4.135 0 1 GIAF O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)[C@@H](c2ccccc2)NC1=O 101162320 RSYBGZDWNUKPIV-HXUWFJFHSA-N 376.456 4.356 0 1 GIAF C[C@@]1(c2cc(Nc3cccc4cc(Cl)cnc34)ccc2F)COCC(N)=N1 143020526 QIANIVYIOVZEHV-FQEVSTJZSA-N 384.842 4.374 0 1 GIAF Cc1c(C2CC2)sc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)no1 147060285 ZBFCWNVUTDQJEI-UHFFFAOYSA-N 399.472 4.365 0 1 GIAF O=C(OCCC[18F])[C@@H]1[C@@H](c2cccc(/C=C\Br)c2)C[C@@H]2CC[C@H]1N2 169292812 VKZWZSZGPDLBNV-GHZFDLDZSA-N 395.303 4.179 0 1 GIAF Cc1ccc(O)c([C@@H](CC(=O)N2C[C@H](C)C[C@@H](C)C2)c2ccc3c(c2)OCO3)c1 169296179 FKTXLFGWWUTSQI-LMMKCTJWSA-N 395.499 4.456 0 1 GIAF Nc1cc(Sc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ncn1 224707094 VYEXHEDYRFVOIX-UHFFFAOYSA-N 390.447 4.055 0 1 GIAF CCN(CC)CCCOc1ccc2nc3n(c(=O)c2c1)CCCc1ccccc1-3 299827180 GLVFHGWUKQPBOF-UHFFFAOYSA-N 391.515 4.120 0 1 GIAF Oc1nc(Cc2nnc(Nc3ccccc3)s2)nc2sc3c(c12)CCCC3 299833753 ZMZPREMFQRKXJV-UHFFFAOYSA-N 395.513 4.462 0 1 GIAF C/C=C/COc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 473155165 PPMKSMQIVZKMOD-LAQIPUCWSA-N 379.456 4.131 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(-c3cnc(C)c(Br)c3C)nc2c1 586979272 VIYYFFCZQZQATF-UHFFFAOYSA-N 394.656 4.444 0 1 GIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(CCO)cc4[nH]3)c2C1 587032264 RMDLASDICWVDOJ-UHFFFAOYSA-N 399.516 4.119 0 1 GIAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587117485 JOCOIJUTGUTHSD-UHFFFAOYSA-N 379.567 4.398 0 1 GIAF Fc1ccc(/C=C(\c2nc3ccc(-n4cnnn4)cc3[nH]2)c2cccs2)cc1 587163311 HOURUOJOEKBQLK-YBEGLDIGSA-N 388.431 4.328 0 1 GIAF O=C(c1ccc(Cl)c(F)c1)c1c(CO)oc2cc(Br)cnc12 587276972 XWGCGVLWBQLDIY-UHFFFAOYSA-N 384.588 4.106 0 1 GIAF COC(=O)C[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354558 UYKHGPIFYIIOKY-JTHBVZDNSA-N 398.430 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)c3cc(C)on3)c1)O2 587390012 NKHYOBSKQUVBCU-JOCHJYFZSA-N 391.427 4.007 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(Cl)ccc2OC(=O)[C@@H]1C 587459478 DOUBDCBKLJJTQJ-WIUDPPPLSA-N 386.831 4.414 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCCCN(C(=O)OC(C)(C)C)C1)CC2=O 587474639 JCGQCDPHQLKOFD-QFIPXVFZSA-N 389.492 4.470 0 1 GIAF CN(C)c1nc(Cl)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553248 USCQVRYWKBGLRB-YLJYHZDGSA-N 396.830 4.210 0 1 GIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587570045 UICIPZZUOJFDMT-UGKGYDQZSA-N 380.371 4.417 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(Cl)cc2)N1 587695509 BMTJADQGBLSCEK-XLFHBGCDSA-N 398.659 4.104 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(C(=O)O)c2)N1 587728011 CMMXYNIJICZPDO-VPTHRUTESA-N 382.204 4.049 0 1 GIAF Cc1cc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)n1 587771874 UIQRZJJRBGXHFH-ZMZPIMSZSA-N 379.273 4.103 0 1 GIAF CC(C)C[C@]1([C@H]2CCCNC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587791516 GDEPUTTWQXXAEY-ZUEVXXBESA-N 383.349 4.363 0 1 GIAF CCCCOC(=O)CC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587792347 KJKZDRHCYTVFIH-KPZWWZAWSA-N 386.305 4.461 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COCc1ccccc1 587862431 NQDPMPGLAAQBRH-UHFFFAOYSA-N 390.361 4.435 0 1 GIAF CC1CCN(CCCOc2ccc(=O)n(-c3ccc(Cl)cc3Cl)n2)CC1 653864163 QVAYUPZPSXPQAN-UHFFFAOYSA-N 396.318 4.040 0 1 GIAF Cc1cc2c(cc1F)[C@@](C)(c1sc3c(c1C)C(=O)N/C(=C\Cl)N3)NCC2 962144412 KOTWZIOLQGCDRK-MOXPCZPISA-N 391.899 4.106 0 1 GIAF CCc1cccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962929178 RVYMAHXTPKXONU-GOTSBHOMSA-N 389.451 4.435 0 1 GIAF COCc1cnc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)s1 962948710 AWQZHBUYXPUBLG-MRXNPFEDSA-N 398.450 4.049 0 1 GIAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc(Cl)c(F)cc2F)N1 962978513 RMVKZVOWCLQDKF-DOMZBBRYSA-N 394.151 4.238 0 1 GIAF Clc1c(OCc2cccc(-c3cncnc3)c2)ccn2c(CC3CC3)nnc12 1772603142 VGMOQZOTFPVRIW-UHFFFAOYSA-N 391.862 4.371 0 1 GIAF COc1ccc([C@@H](O)CCCCN2CCc3cc(OC)c(OC)cc3C2)c(C)c1 1857635786 TZHCBZUVWUYUEY-QFIPXVFZSA-N 399.531 4.283 0 1 GIAF CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2Cl)N=C(c2nccs2)N1 1857753632 GBMCFZZERJYKIV-OAHLLOKOSA-N 393.871 4.252 0 1 GIAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)[C@H](C(C)C)C[C@H]2[C@]1(C)OC(C)=O 2356679226 LFIIODXYFFPSFW-ZNSCVOQBSA-N 378.509 4.238 0 1 GIAF Nc1ccc(C(=O)Nc2cccc(Nc3nccc(-c4cccnc4)n3)c2)cc1 13553262 OEPYYTCOZCQKGP-UHFFFAOYSA-N 382.427 4.117 0 1 GIAF CCS(=O)(=O)c1ccc(OC)c(-c2ccc([C@@H](C)N3CCCCC3)[nH]2)c1 13904798 YHRNVXAUNZJNND-OAHLLOKOSA-N 376.522 4.031 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@@]4(C)[C@@H]3CC[C@@]21C 26399210 ARCONGNMKCTCRP-KQTHGUNBSA-N 388.596 4.382 0 1 GIAF O=C(N[C@H]1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 26500230 NBMHNTBSWCLRKZ-IZJILKLZSA-N 380.576 4.416 0 1 GIAF CC(C)C(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccccc2)CC1 28822919 CNMHUHSHOVUXGS-UHFFFAOYSA-N 387.527 4.496 0 1 GIAF CC(C)NC(=N)c1ccc(-c2cc3cc(C(=N)NC(C)C)cc(O)c3o2)c(O)c1 40937095 FBMXNNIGIUGFEF-UHFFFAOYSA-N 394.475 4.158 0 1 GIAF Cc1cccc(-c2nc(NCC3CC3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 82145971 XWBPLRSAFZLYAP-CALCHBBNSA-N 378.520 4.392 0 1 GIAF O=C1COc2ccc(-c3c(C(F)(F)F)cnn3-c3ccc(F)cc3)cc2N1 82153777 AVOILJLMPQVGEO-UHFFFAOYSA-N 377.297 4.028 0 1 GIAF COc1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)C[C@@H](C(=O)O)CC1 95583377 CMAOWOOZIHRSRO-ZDUSSCGKSA-N 383.831 4.181 0 1 GIAF CCCC(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 100636940 SNBZKJNKEUNKRJ-BGYRXZFFSA-N 399.579 4.094 0 1 GIAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1)c1cccs1 100803067 CEJURZXMIYUTSE-BGYRXZFFSA-N 397.588 4.249 0 1 GIAF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(-c2ccc[nH]2)cc1 118860647 UIJDSIFYFRJZSY-UHFFFAOYSA-N 378.863 4.475 0 1 GIAF Cc1cc2nc(Cn3nc(C)c(Br)c3C)[nH]c2cc1Br 586978927 LTKMVYIVTAXGNR-UHFFFAOYSA-N 398.102 4.258 0 1 GIAF Cc1nc(C2CC2)sc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587012046 LVPXOENVRKYQOK-UHFFFAOYSA-N 387.408 4.166 0 1 GIAF Cc1cc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2cc1Cl 587038359 RMVPMOMPWPKTQC-JTQLQIEISA-N 387.896 4.272 0 1 GIAF Nc1ncc(Cl)nc1-c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587087440 QJLXCLDETFIBIO-UHFFFAOYSA-N 392.566 4.037 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc4c(c3[nH]2)CCCC4)C(F)(F)C1 587131660 AWNYGCAITUPHRM-AWEZNQCLSA-N 377.435 4.411 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(Cl)cc(F)c3[nH]2)C(F)(F)C1 587132759 UUUCEFXJMIIWCA-VIFPVBQESA-N 375.778 4.325 0 1 GIAF O=C(/C=C\c1nc2c(Br)cnc(Cl)c2[nH]1)Nc1ccc(F)cc1 587166455 CVYCSZYCECXMLK-WAYWQWQTSA-N 395.619 4.165 0 1 GIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(F)c(F)cc2[nH]1 587198624 NWEVMIGTOKRPIB-UHFFFAOYSA-N 378.382 4.367 0 1 GIAF Nc1cccc2c1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333162 HUVDAZJFLIPSBA-JTHBVZDNSA-N 375.399 4.314 0 1 GIAF COC(=O)C[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354557 UYKHGPIFYIIOKY-GMAHTHKFSA-N 398.430 4.382 0 1 GIAF CCOC(=O)c1c(NC(C)=O)sc2c1CCc1c-2nc2cccc3c2c1CC3 587361639 XHEZTHSZXPBHSH-UHFFFAOYSA-N 392.480 4.296 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1c(Br)cccc1OC)[C@@H](C2)C3=O 587414346 UQYZFSHENLXWNS-BUXKBTBVSA-N 389.245 4.129 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC(=O)c4ccccc4)c1)[C@@H](C2)C3=O 587442998 NPXVKAVJHVCDEJ-CVDCTZTESA-N 386.403 4.403 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1CO[C@H]1CCCCO1)[C@@H](C2)C3=O 587455638 OPKGKOKIEXOLCU-LEDOBFOHSA-N 380.440 4.227 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1cccc(F)c1)CC2=O 587468488 VOYIEHHYZRKZDD-JOCHJYFZSA-N 386.419 4.298 0 1 GIAF C[C@@]1(c2ccc(N(CC(=O)O)N=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511569 LRXKKGHJRRVVOA-QFIPXVFZSA-N 394.427 4.018 0 1 GIAF COc1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587555307 GGYWJLDIAFBYJX-DENIHFKCSA-N 396.370 4.251 0 1 GIAF CC1CCN(CC(C)(C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587581857 JIBOVDBNVBJPQR-REWPJTCUSA-N 395.499 4.481 0 1 GIAF CCOC(=O)c1c(-c2ccccc2Br)[nH]c2c(C(=O)O)cccc12 587637149 WHAHIANWRQZVDW-UHFFFAOYSA-N 388.217 4.472 0 1 GIAF CCCn1nc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587757559 ORIUMBBCIPJIJJ-MGNBDDOMSA-N 380.305 4.435 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccn2)(C2CC2)N1 587774740 XFNIUIIWQZZVOI-HXPMCKFVSA-N 375.285 4.365 0 1 GIAF COCc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587800362 GFWOESOZJUYXPB-JEOXALJRSA-N 394.284 4.367 0 1 GIAF COC(=O)c1ccsc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587848074 ZLGPRRYQCWUXMU-RMLUDKJBSA-N 384.270 4.060 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(CN(C)C)cs2)N1 587848621 OSLANEBBTSRDCD-QGHHPUGFSA-N 383.330 4.335 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H]1Cc2ccccc2O1 587863257 WJJHFONPXBKCKC-QGZVFWFLSA-N 388.345 4.221 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]21C(c2ccccc2)=C(N)c2ccccc21 963609610 NQLZZPUVDDKSNJ-YHAMSUFESA-N 398.506 4.322 0 1 GIAF CN1[C@@H]2CC[C@@H]1CC(Oc1ccc(-c3noc(-c4ccc(O)cc4)n3)cc1)C2 1857591053 CDIVICDRPVXULM-IAGOWNOFSA-N 377.444 4.113 0 1 GIAF COc1ccccc1N1CCN(CCCOc2ccc3ccccc3c2)CC1 1857656951 XMKZSIOUEOJJFO-UHFFFAOYSA-N 376.500 4.440 0 1 GIAF CC1=C[C@H](CNC2CCN(C)CC2)[C@@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1 2356286651 KCWGKCAEYJRNSQ-QKNQBKEWSA-N 395.595 4.039 0 1 GIAF CC(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)CC(C)C)[C@H]2[C@@](O)(C(C)C)CC[C@@]21C 2356595138 UUULDBUYLVXHTP-YEYKPMIPSA-N 380.525 4.029 0 1 GIAF O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccno1)c1ccccc1 1353766 RLTMLGZOECALIQ-OAQYLSRUSA-N 389.455 4.122 0 3 GIAF aggregator Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 627319 BMNCVISEUQFTER-IRXDYDNUSA-N 380.444 4.077 0 1 GIAF CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)cc1 4076870 NZGHNZINONOUNR-IRLDBZIGSA-N 379.504 4.056 0 1 GIAF CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@H]([C@H](C(C)=O)C(=O)OC)O1 7992234 JDTQVVQXMHVUQK-LEWJYISDSA-N 390.476 4.465 0 1 GIAF COc1ccc(CCn2nccc2C(=O)Nc2ccc(Cl)cc2)cc1OC 28822039 JPFXCNWNCKMRRB-UHFFFAOYSA-N 385.851 4.049 0 1 GIAF CCCCc1c2c(OC)c(OC)ccc2cc2[n+]1CCc1cc3c(cc1-2)OCO3 36444609 NLMMWMOCSXZRFN-UHFFFAOYSA-N 392.475 4.439 0 1 GIAF COC(=O)c1ccc(C[C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1C 45316316 ZBTUIONYUOHXER-KUHUBIRLSA-N 395.421 4.055 0 1 GIAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N(C)C)ccc2c1 45495834 LSARAQFYCMHHPJ-UHFFFAOYSA-N 395.455 4.171 0 1 GIAF COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccncc2)cc1 53312463 BKZGHPMTLSSELD-UNOMPAQXSA-N 386.411 4.227 0 1 GIAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2ccccc2F)C1 82152083 FYQOKOBXTONQNU-GJZGRUSLSA-N 382.483 4.223 0 1 GIAF CCS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C=O 115233249 CXGVZVASUXAFGS-UHFFFAOYSA-N 395.452 4.348 0 1 GIAF O=C1NC[C@H](c2ccc(OC(F)(F)C(F)F)cc2)N1c1ccc2[nH]cnc2c1 116195759 CCZBHLPIMLZZQH-OAHLLOKOSA-N 394.328 4.071 0 1 GIAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)cc21 169704967 YSBCSCDCKFNRJN-SJLPKXTDSA-N 381.451 4.193 0 1 GIAF CNc1nnc(-c2ccc3[nH]cc(-c4cncc(N5CCCCC5)n4)c3c2)s1 204757139 SMWFSPOWWDSJEB-UHFFFAOYSA-N 391.504 4.175 0 1 GIAF O=c1oc2ccccc2n1CCCCCCCN1CCN(c2ccccc2)CC1 299829002 YPQHZHWVBPNFRI-UHFFFAOYSA-N 393.531 4.367 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NC[C@@H](O)CC 299875149 COALRPBIMWYHQZ-GDIGMMSISA-N 398.906 4.380 0 1 GIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc2n1 586878948 FWNBIGYOTLLJJS-UHFFFAOYSA-N 387.395 4.085 0 1 GIAF Brc1ccc(NCCc2nc3ccnc(Br)c3[nH]2)cc1 586996184 SQXSUVDSSIYALK-UHFFFAOYSA-N 396.086 4.138 0 1 GIAF Brc1cnc2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 587015495 FRGZMUMQMSOPPS-UHFFFAOYSA-N 399.273 4.446 0 1 GIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cc2N1 587127289 VJMFSPORWSVCBC-YLWLKBPMSA-N 391.184 4.436 0 1 GIAF CC(C)(C)OC(=O)N[C@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)C1CCCC1 587225892 NONCAQYQZZDZSW-NSHDSACASA-N 385.390 4.079 0 1 GIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc1 587339457 QIWLTQWMOKHWJM-RBBKRZOGSA-N 379.387 4.209 0 1 GIAF COC(=O)C[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348227 GTQSZIOIDIHRGF-PNDGYVOYSA-N 398.430 4.382 0 1 GIAF CC1(C)[C@@H]2OCCC[C@@H]2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587357955 PCZDBZCXPLXSRK-DFPDZIMCSA-N 382.431 4.464 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Br)ccn1)CC2=O 587456656 ACBCPZZIRIPLDQ-GOSISDBHSA-N 376.250 4.383 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](C(=O)c1cccc(Br)c1)CC2=O 587457307 GLSXFBREWJKLLH-QGZVFWFLSA-N 389.245 4.324 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(F)(F)F)nc1)CC2=O 587460898 KXZAJEUKOGYLJL-MRXNPFEDSA-N 381.350 4.387 0 1 GIAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C(C)(C)C)n1 587579986 GJNBJEWPGPPKLH-FXAWDEMLSA-N 378.428 4.126 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CCc1ccc2c(c1)CCO2 587608294 JWOJQFHUZPRESA-IRLDBZIGSA-N 388.419 4.290 0 1 GIAF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2c(C(=O)O)cccc12 587638561 NOKWFQXJHZFPQO-UHFFFAOYSA-N 392.194 4.196 0 1 GIAF COc1cc(F)c(F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587716051 ITIAWGJBIOVKDX-CQLKUDPESA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3ccc(F)cc32)N1 587736531 WEYUVDFUEQATSX-XTZNXHDOSA-N 379.248 4.321 0 1 GIAF CCOC(=O)C[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587792742 CPRWONKSYSEOHR-UHYGZKCKSA-N 398.316 4.461 0 1 GIAF COc1ccc(OC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587804716 CITRMXZZXAYPMI-XTZNXHDOSA-N 380.257 4.229 0 1 GIAF C[C@H]1C(C)(C)[C@H](C(=O)O)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587828156 RYDDFCPZLAUHPK-FNPAYESESA-N 398.316 4.475 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCn1nc(C)c(Cl)c1C 587871528 YJWZGDLGJANUIK-UHFFFAOYSA-N 390.846 4.285 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@H](c2ccnc(Cl)c2Cl)N1)C(F)(F)F 962720179 ZDQRBODOEUWMOO-DGCLKSJQSA-N 375.177 4.124 0 1 GIAF O=C(N[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cn1)c1c(F)cccc1F 1772600492 HFISIASDLKWICX-KBPBESRZSA-N 385.336 4.142 0 1 GIAF CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccccc3)c2)c2cnccc21 1772651968 GWDFESNIKWCJSX-UHFFFAOYSA-N 398.466 4.424 0 1 GIAF CCO[C@@H]1C=C(CC[C@]2(C)[C@@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@H]32)C(=O)O1 1857767408 CFACVVLHXSQXMD-UXVDKCGKSA-N 376.493 4.476 0 1 GIAF O=C(COc1nc(N2CCCC2)nc2ccccc12)Nc1ccc2ccccc2c1 1911577656 SHORPQCJMRHNQS-UHFFFAOYSA-N 398.466 4.401 0 1 GIAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NCc1cc(F)cc(F)c1 2356318310 FHLMUBBEHSFJPH-SNVBAGLBSA-N 392.789 4.257 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C=C1C[C@H]3O 2356479872 HCXLGXVBNGIUAC-SEDCXYBLSA-N 390.564 4.398 0 1 GIAF CC(=O)O[C@@H](CNC(=O)C=Cc1ccccc1)c1ccc(OCC=C(C)C)cc1 2356566427 HEOHAISYUOGPDX-QHCPKHFHSA-N 393.483 4.465 0 1 GIAF CSc1ccccc1OCc1cc(C(=O)N(C)[C@@H](C)c2ccccn2)no1 12304356 UPLIQPOCWIEPBM-AWEZNQCLSA-N 383.473 4.204 0 3 GIAF O=C(NCCCCc1ccccc1)[C@H]1CC(c2ccccc2C(F)(F)F)=NO1 13478533 BHKKFANHGWIBPD-LJQANCHMSA-N 390.405 4.338 0 3 GIAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 775518 KYIKSMQHPQAMTK-SJORKVTESA-N 386.492 4.071 0 1 GIAF COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@@H](c1ccccc1)O2 12349531 JBYMAMMMXLMWFU-OAQYLSRUSA-N 381.453 4.216 0 1 GIAF CCCn1cc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c2ccccc21 13447694 NMPSBQCWPUSRMH-UHFFFAOYSA-N 383.451 4.110 0 1 GIAF O=C(O)C1CN(Cc2ccc(-c3noc(-c4ccc(C5CCC5)cc4)n3)cc2)C1 13673894 DMOOKXPSMLPOGZ-UHFFFAOYSA-N 389.455 4.188 0 1 GIAF O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@H]1CCC[C@H]2C=CC=C[C@@H]21 27519670 HBNIAKXTMMHNGE-URVUXULASA-N 390.527 4.315 0 1 GIAF CC[C@@H](C)CCCc1c(O)ccc2c1O[C@@]1(C2=O)C(Cl)=C(Cl)C(=O)N1C 68199228 WMKWPEBMZCUXQG-GIGQVBGESA-N 398.286 4.194 0 1 GIAF biogenic O=C1CCC(=O)N[C@@H](c2ccc(F)cc2)C/C=C\C[C@H](c2ccc(F)cc2)N1 95661190 IWVMGMIALIQDHQ-JLGNTZPISA-N 384.426 4.110 0 1 GIAF O=S(=O)(c1ccc2oc3c(c2c1)[C@H]1CC[C@@H](C3)N1)n1ccc2ccc(F)cc21 143528818 CILJDNBYKSFSDC-WMLDXEAASA-N 396.443 4.113 0 1 GIAF O=C(CNCCC1(O)CCCCC1)N1CCc2ccccc2[C@@H]1C1CCCCC1 201381725 DQXPGBCEZJBXIH-DEOSSOPVSA-N 398.591 4.368 0 1 GIAF COc1ccc2oc(-c3nc(NCCc4ccc(F)cc4)nc(OC)n3)cc2c1 206750753 YNMKZKZXKQRRGD-UHFFFAOYSA-N 394.406 4.096 0 1 GIAF Clc1c(-c2nc3cc(Br)cnc3[nH]2)ccnc1Br 587005168 AJSSCYRTQVSTLF-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3c(Cl)ccnc3[nH]2)[C@@H]1c1ccccc1Cl 587062149 URBNPFSNPDPDCI-BZNIZROVSA-N 375.259 4.342 0 1 GIAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(O)nc(O)nc2[nH]1 587072745 WDYUICSRSKZFCY-CKRBCLJCSA-N 391.258 4.437 0 1 GIAF CC(C)(C)c1cccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc12 587127359 RAUHACMQRAOKNP-UHFFFAOYSA-N 383.395 4.216 0 1 GIAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232660 YIRSFXOFYPFZAB-UHFFFAOYSA-N 389.455 4.218 0 1 GIAF C[C@]1(c2[nH]nc3ncccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348449 RYJYJSMRAHLQSR-GCJKJVERSA-N 389.386 4.077 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](c3ccccc3)Cc3[nH]c(=N)sc31)O2 587415741 WKPPSIYNFOHLBC-JLCFBVMHSA-N 391.496 4.037 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCOCC3)cc1)CC2=O 587473773 CDHHXISQSUQXBT-HSZRJFAPSA-N 381.472 4.062 0 1 GIAF CCOC(=O)COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526533 XYXHDWHWLYXDCJ-OAQYLSRUSA-N 380.440 4.214 0 1 GIAF CCCn1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587583968 XPBQPLUTPKWLKK-SIKLNZKXSA-N 378.428 4.184 0 1 GIAF C=C1C=C(C)n2ncc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2N1 587590418 ZZEJVCUBRUEDMY-WIYYLYMNSA-N 387.395 4.092 0 1 GIAF COc1cc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722401 YSRFOGGBOKDLGZ-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF CCOC(=O)[C@@]1(CC(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800803 ZIBIMYTXWOPGEN-ZMZPIMSZSA-N 386.305 4.317 0 1 GIAF COC(=O)C[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587805606 IAHKBZXXVPVOKA-FNFWKMNBSA-N 384.289 4.071 0 1 GIAF COc1nccc2[nH]cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c12 587808305 YFPKOZPKDXIQMB-VVVCHXIZSA-N 390.256 4.097 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2COC3(CCCCC3)O2)N1 587839323 FMOLLZOVOCUDGX-LQAWEQHXSA-N 384.289 4.239 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1SC 587870179 XMAVKNORVXKYIR-UHFFFAOYSA-N 393.390 4.383 0 1 GIAF CO[C@@H](C)COC1CCC(c2nc3c(C)c(Br)cnc3[nH]2)CC1 587951830 IXLKXNLVILJRBG-PKSQDBQZSA-N 382.302 4.107 0 1 GIAF Cc1csc2c(OC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 653672870 NXIGYZMSZLTTFL-KRWDZBQOSA-N 376.485 4.011 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@H]2c1cc2ccc(Cl)cc2nc1O 963257585 KZVHBIVODXJROD-SFHVURJKSA-N 375.255 4.491 0 1 GIAF CCCCOc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 1260572347 PGQSLYDBGSOFNZ-UHFFFAOYSA-N 399.896 4.337 0 1 GIAF CC(C)COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccccc3)ncc12 1772631471 OLZKMAGVOIGNJN-CYBMUJFWSA-N 396.451 4.045 0 1 GIAF Clc1ccc(CCN[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)cc1 1772643731 ZPAJIUBPKZGWEN-JCNLHEQBSA-N 394.910 4.118 0 1 GIAF Cc1cccc(Cl)c1-n1cnc2[nH]c(=Nc3ccccc3F)sc2c1=O 1857608409 MYDXRDQUPJAAAY-UHFFFAOYSA-N 386.839 4.109 0 1 GIAF CCC[C@H]1c2cc[nH]c2C=C[C@H]1C(=O)CC(=O)CCc1ccc(O)c(OC)c1 2356293014 YYXNFYUGKRNIIF-PKOBYXMFSA-N 381.472 4.417 0 1 GIAF COC(=O)C(=CCCC(C)=CCC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1)CO 2356464259 CWRIQGUAHCWTRV-QHCPKHFHSA-N 386.488 4.463 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]12C 2356605030 OZHBCCBNHOZTLX-RFEOPEQXSA-N 390.564 4.398 0 1 GIAF CCC[C@H]1[C@@H](OC(=O)NCc2ccco2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205710591 NDLATLIPISKCQO-MDPIYQRISA-N 388.508 4.246 0 3 GIAF COc1cccc(CN2C(=O)c3ccccc3[C@H](C(=O)O)[C@H]2c2ccsc2)c1 7007241 HVZHRGIRHPMNOQ-VQTJNVASSA-N 393.464 4.322 0 1 GIAF CC(C)[C@@H]1C(=O)N2C(C(=O)OCc3ccccc3)=C(c3ccccc3)S[C@H]12 26377215 QISYIUCLWWOGGY-DYESRHJHSA-N 379.481 4.286 0 1 GIAF CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccccc1F 27106481 ASPPZRCIGKDUMR-KRWDZBQOSA-N 393.524 4.014 0 1 GIAF CS(=O)(=O)c1ccc(-c2csc(CC(=O)O)c2-c2ccc(F)cc2)cc1 28004497 XKLSNKUJTAOKGU-UHFFFAOYSA-N 390.457 4.252 0 1 GIAF CCOC(=O)C1=CN(C(=O)Oc2ccccc2)C=C[C@H]1c1ccc(OC)cc1 28649396 VGWUGLWTKLFQCP-IBGZPJMESA-N 379.412 4.254 0 1 GIAF CN1CC[C@@H](NC(=O)Nc2cccc3[nH]ncc23)c2ccc(C(F)(F)F)cc21 28965052 ITFPFVZGWFKJMG-OAHLLOKOSA-N 389.381 4.284 0 1 GIAF CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4)c3)c2C1 29055284 KNRZTRNOALIQDO-INIZCTEOSA-N 378.476 4.323 0 1 GIAF CCNC(=O)CC1=C(C)/C(=C/c2ccc(S(C)(=O)=O)cc2)c2ccc(F)cc21 43062016 KQNKQVWWIRZUKP-ODLFYWEKSA-N 399.487 4.083 0 1 GIAF CC[C@]1(CCCCN2CCN(c3cccc(F)c3)CC2)C(=O)Nc2ccccc21 72141074 AWGFZNMQYCSMBR-XMMPIXPASA-N 395.522 4.418 0 1 GIAF CCCCNC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3ccccc3c2)n1 82085391 WNTOAWQWWFRJPN-HXUWFJFHSA-N 391.471 4.016 0 1 GIAF C[C@@H](SC1=NS(=O)(=O)c2cc(Br)ccc2N1)c1ccccc1 95582582 HANNJZNYOVHEAD-SNVBAGLBSA-N 397.319 4.414 0 1 GIAF CCC(=O)N1[C@H](CO)[C@H](c2ccc(C3=CCCCC3)cc2)[C@H]1CNC1CCCC1 95871911 KIERJCWSVJBARA-VDKIKQQVSA-N 396.575 4.242 0 1 GIAF O=C1c2ccccc2C(=O)N1CCCCN1[C@H]2CC[C@H]1c1c([nH]c3ccccc13)C2 100758031 ZFVCOZSVRXMIIP-AOMKIAJQSA-N 399.494 4.306 0 1 GIAF COc1ccc([C@H]2C[C@@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1 103290044 TYRRNKNTRGLDAB-SJORKVTESA-N 390.468 4.437 0 1 GIAF Cc1ccc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c(C)c1 103291344 UMQOKCMIOBEAPV-UHFFFAOYSA-N 375.472 4.229 0 1 GIAF CC[C@@H]1[C@H](c2cccc(OC)c2O)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 105518573 UWMPNVWZHCIJMI-LMIFWLCCSA-N 397.471 4.102 0 1 GIAF CNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(Cl)ccc4F)c3)c21 140531544 LPQSQEQXYKNLJS-UHFFFAOYSA-N 396.813 4.217 0 1 GIAF COc1ccccc1C(=O)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 146103987 HFJZNWHZVHFPNG-IBGZPJMESA-N 398.409 4.172 0 1 GIAF COc1ccc(Cl)c2c1CCC(CN1CCC(C(=O)N3CCCC3)CC1)=C2 169324739 NDAOGHHTCJDMSG-UHFFFAOYSA-N 388.939 4.013 0 1 GIAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Br)c(Cl)c1 169359296 GBSHIUSLZXGHTO-XKPWIFIJSA-N 396.712 4.142 0 1 GIAF O=S(=O)(c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1)C(F)(F)F 586884041 NMFZLHJPXOBTDQ-ORMQQPANSA-N 384.423 4.324 0 1 GIAF COC(=O)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 586901688 XNIZRJSCBHVENK-UHFFFAOYSA-N 376.368 4.001 0 1 GIAF CCS(=O)(=O)c1ccccc1-c1nc2cc(C)cc(Br)c2[nH]1 586921579 DVGVQTLZIOZPOT-UHFFFAOYSA-N 379.279 4.094 0 1 GIAF FC(F)(F)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586967012 OUJJIYFSTSYDPO-UHFFFAOYSA-N 377.351 4.319 0 1 GIAF Clc1cnc2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 587018453 BXVTWRWVRVJPLB-UHFFFAOYSA-N 384.848 4.097 0 1 GIAF Cc1ccc2nc([C@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2n1 587030941 KCZQCPMOEDUZBR-HKMIMPICSA-N 385.518 4.393 0 1 GIAF FC(F)(F)CSc1cc(-c2nc3c(Br)ccnc3[nH]2)ccn1 587090884 BBPUFALGSDZYEH-UHFFFAOYSA-N 389.200 4.437 0 1 GIAF Cc1cc(-c2nc3cc(F)c(F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587126558 ZLYVRFDBEFRTNX-UHFFFAOYSA-N 391.321 4.078 0 1 GIAF O=C(c1nc2cnc(Br)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133614 WGBBJQVKOPITDO-UHFFFAOYSA-N 389.011 4.397 0 1 GIAF O=C1c2ccc(O)cc2OC2(C[C@@H]3CC[C@H](C2)N3C2CC2)[C@H]1c1ccc(F)cc1 587341389 WLTQBDCCMJOSRE-ARMJMNSUSA-N 393.458 4.418 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(-c3cccc(OC)c3)c1)CC2=O 587474670 GAHGUXTVRINOSI-HSZRJFAPSA-N 392.455 4.420 0 1 GIAF Cc1nn(-c2ccnc(Cl)n2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496455 BZBJBRWRODFQAW-SFHVURJKSA-N 394.862 4.209 0 1 GIAF COC[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587556439 JQQXJTHGUCBOSX-KNQAVFIVSA-N 398.361 4.174 0 1 GIAF CC(C)(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587588340 SUXBDYHJNSKCRP-PXNSSMCTSA-N 376.412 4.183 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ncc[nH]1)c1cccs1 587609358 BSHXMUDIXNMZFF-DYESRHJHSA-N 390.420 4.082 0 1 GIAF COc1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587655900 HIUHOOYDAXBHLJ-UHFFFAOYSA-N 392.361 4.039 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)O)c(F)c2)N1 587725946 TXVAARALEAYMCN-NIVTXAMTSA-N 396.231 4.223 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3cn(C)nc23)N1 587759675 LXQMONUURPCRAA-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF N=c1[nH]c2nc(/C=C\c3ccc(OCc4ccccc4)cc3)nc-2c(Cl)[nH]1 587784155 NHZXALMKMBXSRX-FLIBITNWSA-N 377.835 4.120 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@@H](c3ccco3)C2)N1 587828404 NCNAWBXLFGCAJS-MVBJNABHSA-N 392.268 4.448 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3snnc3c2)N1 587858171 OWDCQKYQASKCRK-PWJLMRLQSA-N 378.270 4.217 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1nc(C(F)F)cc1C 587870777 ILJDGKCEGQNXTL-LBPRGKRZSA-N 392.381 4.432 0 1 GIAF CCC1([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)CCOCC1 963181280 MRMYSJILJFSNCP-HUUCEWRRSA-N 391.817 4.206 0 1 GIAF CC(C)(C)c1cc(C(=O)Nc2ccccc2C(=O)NCCN)cc(C(C)(C)C)c1 1772643775 DXPZNYLWMZPESQ-UHFFFAOYSA-N 395.547 4.222 0 1 GIAF Cn1ncc2ccc(N3CCN(c4cncc5ccc(C(F)F)cc45)CC3)cc21 1857572293 FDXSSFHOOFELGS-UHFFFAOYSA-N 393.441 4.386 0 1 GIAF CC(C)c1sc(-n2cccc2)nc1C(=O)NC[C@@H]1CCCN2CCCC[C@@H]12 2356528916 NGAAIYYNVCWXMC-IRXDYDNUSA-N 386.565 4.052 0 1 GIAF CCC(C)(C)NC(=O)[C@H](c1cccs1)N(C(=O)c1cc[nH]n1)c1ccccc1 13150724 HKPUAKNXKQYMRR-SFHVURJKSA-N 396.516 4.164 0 3 GIAF CCCOc1ccc(F)cc1-c1cc(C(=O)Nc2cc(OC)ccc2OC)[nH]n1 61903102 RBDQWPUSGBTRKR-UHFFFAOYSA-N 399.422 4.274 0 3 GIAF COc1ccc(F)cc1-c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)[nH]n1 61904969 GMMJLFPAZGCQAC-UHFFFAOYSA-N 393.340 4.173 0 3 GIAF COc1ccc([C@H]2C[C@H](c3ccc(-c4ccccc4)cc3)Nc3nnnn32)cc1 2916356 IHJBTOPODLBHCM-FGZHOGPDSA-N 383.455 4.495 0 1 GIAF Cc1cccc(-n2nc3c(c2NC(=O)CC2CCCCC2)C[S@](=O)C3)c1C 4105597 VAMQCRCWCPKRLF-HHHXNRCGSA-N 385.533 4.160 0 1 GIAF O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@H]1CCCN(C2CCOCC2)C1 11879019 VTIXPJDCMLDVHT-IBGZPJMESA-N 382.479 4.322 0 1 GIAF CC(C)(Oc1ccc(CNC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)O 13649325 YYHGWSIKVSHHMB-UHFFFAOYSA-N 382.243 4.165 0 1 GIAF COc1cc([C@H]2c3cc(OC)c(O)c(OC)c3C=C(C)[C@@H]2C)cc(OC)c1O 14435366 FTMPPAUMNSIYCL-BUXKBTBVSA-N 386.444 4.317 0 1 GIAF biogenic,in-vitro CC[C@@H](CO)Nc1cc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C(=O)OC 14975034 IWNVXQFPEPXFQP-HNNXBMFYSA-N 392.883 4.422 0 1 GIAF O=C(O)CCC/C=C\CC1=CCC[C@@H]1NS(=O)(=O)c1ccc2ccccc2c1 28230975 ZVSUGAJNFKXNMF-IDDPWKIZSA-N 399.512 4.408 0 1 GIAF CC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)OC)c(C(=O)O)[nH]c1=S 28338732 UPWUTIADEZAWQB-JTQLQIEISA-N 389.260 4.337 0 1 GIAF CCN(Cc1cccc(OC)c1)C(=O)c1nc2ccc(-c3cn[nH]c3)cc2s1 49785110 QUMAYKINOQNINW-UHFFFAOYSA-N 392.484 4.357 0 1 GIAF Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)cc3)c2)n1 58592865 RHENUISGQBPBKE-VFNWGFHPSA-N 395.890 4.319 0 1 GIAF O=C(Nc1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccc(Cl)cc1 71296751 VPXIITQDRAYKCR-UHFFFAOYSA-N 375.815 4.291 0 1 GIAF CCCCCN1C(=O)[C@](CCC(=O)O)(c2ccc3c(c2)OCO3)c2ccccc21 71331796 DOOGLNMQEADVFA-HSZRJFAPSA-N 395.455 4.103 0 1 GIAF CC1CCN(C(=O)c2cnc(N3CCC(C)CC3)nc2-c2ccccc2F)CC1 82152269 ASJPCUBRURCYKL-UHFFFAOYSA-N 396.510 4.391 0 1 GIAF CC(C)Cc1nc2c(NCc3cccs3)ncnc2n1CC[C@@H]1CCCN1C 82178738 USXHEEGIRLTZAI-INIZCTEOSA-N 398.580 4.183 0 1 GIAF NC(=O)c1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 84709011 JBTAEEKPONTXSL-UHFFFAOYSA-N 382.467 4.105 0 1 GIAF Cc1ccc2ncn([C@@H](CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2c1 95603882 BNNFFESNNWERGJ-SFHVURJKSA-N 396.516 4.312 0 1 GIAF COc1ccc(CSc2nc(O)c(C)c(C(=O)c3ccc(F)cc3)n2)cc1 96939928 GQIBVHQIBZODFM-UHFFFAOYSA-N 384.432 4.162 0 1 GIAF Clc1ccc2c(c1)cc(-c1nc3cc(Br)ccc3[nH]1)c1nnnn12 103221804 NBKUIDMGXJIBFC-UHFFFAOYSA-N 399.639 4.237 0 1 GIAF COc1ccc(Nc2nc3ccccc3cc2-c2nc(C)nc3[nH]cnc23)cn1 113154053 QZQVXTGJPGXPIT-UHFFFAOYSA-N 383.415 4.024 0 1 GIAF CC(=O)c1c(N(Cc2ccc(F)c(F)c2)S(C)(=O)=O)sc2ccccc12 115234229 OWIADESHKZWSRZ-UHFFFAOYSA-N 395.452 4.348 0 1 GIAF CCCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(C)n1 169709223 DCHMXAGXQBVOTI-HRAATJIYSA-N 397.519 4.034 0 1 GIAF CC(C)N(Cc1[nH]nc2ncccc12)C(=O)Nc1ccc(OC(F)(F)F)cc1 205981692 KEZFOABHXFOPPI-UHFFFAOYSA-N 393.369 4.299 0 1 GIAF O=C(/C=C\c1ccc(Cl)c(Cl)c1)N[C@H]1CCN(Cc2ccc(O)cc2)C1 206922738 OJALHTBIRLQALG-FAOGRTBUSA-N 391.298 4.103 0 1 GIAF CCOC(=O)C[C@@]1(c2ccccc2)C(=O)Nc2ccc(-c3c(C)noc3C)cc21 219429672 VXNKPDWKXIGKIQ-QHCPKHFHSA-N 390.439 4.150 0 1 GIAF Cn1cc([C@@H]2CCN([C@H]3Cc4cccc5cccc3c45)C[C@H]2O)c2cccnc21 253639850 VOHINDSZXQXORW-OFAXGOBFSA-N 383.495 4.174 0 1 GIAF COc1cc(OC)c(-c2nc(-c3c[nH]c4ccccc34)cnc2O)c(OC)c1 299837695 PEGLRWPDCZBRDM-UHFFFAOYSA-N 377.400 4.023 0 1 GIAF COc1ccc(-c2nnc(-c3ccc4nc([C@@](C)(O)C(C)C)[nH]c4c3)o2)cc1 586892395 WYYDPFKETVGOKQ-NRFANRHFSA-N 378.432 4.152 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(CC)cc3[nH]2)cc1 587041604 ZYDXQIVXHKQYPV-LJQANCHMSA-N 381.501 4.412 0 1 GIAF Clc1ccc2c(c1)C[C@H](c1nc3ccc(I)cc3[nH]1)O2 587080311 LXTWWCPGGUFUQZ-CQSZACIVSA-N 396.615 4.497 0 1 GIAF CC1=C(c2ccc3nc(-c4cccc(F)c4C(F)(F)F)[nH]c3c2)NNC(=O)C1 587096788 BJTZSIHJHDUEGL-UHFFFAOYSA-N 390.340 4.143 0 1 GIAF Fc1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)nc1Br 587155862 UKFHTDGHUKRSCW-UHFFFAOYSA-N 376.107 4.425 0 1 GIAF C=CC(=O)NC(C)(C)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332947 FCCJRVMSYVIPDH-NZQKXSOJSA-N 397.446 4.120 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C)O2 587397593 YBOGXINKDDXULJ-QFIPXVFZSA-N 384.476 4.358 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(F)(F)F)nc1)CC2=O 587460896 KXZAJEUKOGYLJL-INIZCTEOSA-N 381.350 4.387 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CC[C@@]1(C)C(=O)OC 587477118 FCHGNFXEAQBYNV-BJKOFHAPSA-N 394.467 4.331 0 1 GIAF CN(C)CCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587501219 BOVZFRNRMPEVAV-DEOSSOPVSA-N 379.500 4.386 0 1 GIAF CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587507622 NNMZDBRWCHAUFB-XMSQKQJNSA-N 389.467 4.248 0 1 GIAF O=C1C[C@@]2(CCN(Cc3ccccc3)C(=O)C2)Oc2c1ccc1c2CCCC1 587512261 BTBAJSDSUBIZRE-XMMPIXPASA-N 375.468 4.092 0 1 GIAF COc1cc2c(cc1F)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572303 RTFNGGSSIHMQII-NFBKMPQASA-N 392.382 4.343 0 1 GIAF CC(C)(C)[C@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582112 OBKBHXUEADGWEI-PGRDOPGGSA-N 378.428 4.035 0 1 GIAF CCC(=O)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601295 RWEAEYBMECDDFL-OFNKIYASSA-N 390.391 4.411 0 1 GIAF COc1c(F)cc(F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587722952 UTYFZDSEVXZQHS-BCTVWOGZSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccncn2)N1 587776224 CDMSEUSVSYQOMA-RBZFPXEDSA-N 398.279 4.204 0 1 GIAF CCOC(=O)c1[nH]c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587794421 UWIGXDDSXCNDOL-BMLIUANNSA-N 395.272 4.025 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2csc(-c3cccc4cnccc34)n2)cc1 587924237 NPUJCXAUXDNIGH-UHFFFAOYSA-N 381.482 4.397 0 1 GIAF CC[C@]1(Cc2nc3cc(OC)c(C(=O)OC)cc3[nH]2)CC(=O)c2ccccc2C1 587960678 NAXLHHGKQYLDRE-HSZRJFAPSA-N 392.455 4.126 0 1 GIAF COc1cc2c(cc1OC)[C@@]1(CCCc3c1[nH]c1ccc(N)cc31)N(C)[C@H](C)C2 962635952 VGHMWLBXQKOUJL-JBEBIEQOSA-N 391.515 4.224 0 1 GIAF Cc1c(Cc2cccc(C(=O)O)n2)c2ccc(Cl)cc2n1-c1cnn(C)c1 1772599856 RPBHMLQSIOSSMU-UHFFFAOYSA-N 380.835 4.010 0 1 GIAF Cc1ccc2nc(-c3ccc(F)cc3)c(OCCCOc3cncnc3)n2c1 1772629167 UEPFYTNNAGDYDD-UHFFFAOYSA-N 378.407 4.087 0 1 GIAF C/C=C/C(=O)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1 1857543676 GLMIWZNJYGPYPM-NSCUHMNNSA-N 389.238 4.238 0 1 GIAF O=C(N[C@H](C(=O)NCc1ccncc1)c1ccccc1)c1ccc2ccccc2c1 1857544422 CAQXHFORLFITKG-QHCPKHFHSA-N 395.462 4.022 0 1 GIAF CC=Cc1cc(OC)c(O[C@@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 2356339615 QZBRVSFQZQNRIB-LHSJRXKWSA-N 388.460 4.255 0 1 GIAF COC(=O)c1ccc(CN2C(=O)[C@@]3(CC(C)=CC[C@@H](C)O3)c3ccccc32)cc1 36381941 RYTDUGHGAARXLL-MZNJEOGPSA-N 391.467 4.361 0 3 GIAF Cc1ccc(C(=O)N[C@H]2CCCCN(Cc3cccc(Cl)c3)C2=O)c(C)c1 199358845 ZRINUMUFGMSEEI-FQEVSTJZSA-N 384.907 4.268 0 3 GIAF COc1ccc(OC)c(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccoc2)c1 775894 MVJVTMAWIKOBHC-UHFFFAOYSA-N 398.459 4.222 0 1 GIAF Cc1cc(C(=O)c2ccc(-n3ccnc3)cc2)ccc1OCCCCCC(=O)O 1909213 PKXURAPJSJYBOE-UHFFFAOYSA-N 392.455 4.436 0 1 GIAF CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)Nc2nccs2)c1C 6804984 HRROOWIVRHERRA-UHFFFAOYSA-N 383.473 4.044 0 1 GIAF COc1ccccc1C1=CCN(CCCc2nc(O)c3ccccc3n2)CC1 13581600 UBTXEYKSDRZHQU-UHFFFAOYSA-N 375.472 4.066 0 1 GIAF COc1cc(-c2coc3cc(O)cc(O)c3c2=O)cc(CC=C(C)C)c1OC 14763001 RQIDYCZAYSCRKC-UHFFFAOYSA-N 382.412 4.397 0 1 GIAF biogenic O=C(c1cccc(O)c1)N1CCc2c(n(Cc3ccc(O)cc3)c3ccccc23)C1 14946249 LWHRMBIWUGECPV-UHFFFAOYSA-N 398.462 4.299 0 1 GIAF C[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14948212 GLXIREWNAUAUFX-AGRHKRQWSA-N 394.412 4.374 0 1 GIAF CCCn1c(S)nnc1-c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 28524836 PFAVBKOMTMUFME-UHFFFAOYSA-N 393.921 4.130 0 1 GIAF COc1ccccc1-c1cc2c(cc1F)c(=O)c1c(O)nsc1n2C1CC1 28571142 NUBPDNKPJYPGII-UHFFFAOYSA-N 382.416 4.466 0 1 GIAF CC(C)c1n[nH]c(Cl)c1-c1ccnc(Nc2ccc(C3CCNCC3)cn2)n1 64512026 KGEGZSPPABUDIC-UHFFFAOYSA-N 397.914 4.249 0 1 GIAF CCCc1nc2c(NCc3ccc(F)cc3)ncnc2n1CCc1ccccn1 82185972 HLHWGEKTPVZHPY-UHFFFAOYSA-N 390.466 4.168 0 1 GIAF COc1ccc(-c2nnn(-c3cccc(C)n3)c2-c2ccc3nccnc3c2)cc1 95581672 JPNYZZXKJCEFSL-UHFFFAOYSA-N 394.438 4.257 0 1 GIAF Nc1nc(-c2ccccc2)cc(-c2ccc([C@@H]3NC(=O)c4ccccc4N3)cc2)n1 96909907 RVWPHAKANQACIM-QFIPXVFZSA-N 393.450 4.247 0 1 GIAF Cc1ccc([C@@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 169355931 BEJDZVFFWORYPM-FDFHNCONSA-N 394.544 4.075 0 1 GIAF O=C(CCO)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711127 QTXHMWUMSJMZON-PUZFROQSSA-N 398.547 4.060 0 1 GIAF O=C1CCC[C@H](c2nc3c(Br)cnc(Br)c3[nH]2)CC1 586885132 XXVDYPQKATUVBN-ZETCQYMHSA-N 387.075 4.100 0 1 GIAF Cc1ccc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc2c1 586943687 DXSYXYLAMBSTOE-UHFFFAOYSA-N 397.525 4.121 0 1 GIAF Cc1ccc2c3c(c4c(nc13)-c1ccc(=O)n(C)c1CC4)-c1ccccc1C2=O 587096666 JLYITCIRHAYJPA-UHFFFAOYSA-N 378.431 4.219 0 1 GIAF Cc1nn(CC(=O)O)c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097042 GVERAIUKFREIIQ-UHFFFAOYSA-N 397.434 4.320 0 1 GIAF O=C(c1c(F)cccc1Cl)c1c(CO)oc2cc(Br)cnc12 587277021 WNUQMHQNNYKVFP-UHFFFAOYSA-N 384.588 4.106 0 1 GIAF COc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1N 587339490 UJHBATWKJXDPRI-NFBKMPQASA-N 393.414 4.396 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1c[nH]c(C(=O)O)c1)O2 587378644 ORMGVQGUXQJWBI-OAQYLSRUSA-N 396.830 4.166 0 1 GIAF C[C@H](Oc1cccnc1)[C@@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587514246 WEMHZCDUNLTRHZ-GCBICIBWSA-N 392.499 4.207 0 1 GIAF O=C1C[C@@]2(CCCc3nn(-c4ccccc4)nc32)Oc2c1ccc1c2CCCC1 587516915 GGPLWQUFMOSQKI-XMMPIXPASA-N 385.467 4.343 0 1 GIAF CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1Cc1cccnc1 587517891 WTXRWBRXPNDIRG-DEOSSOPVSA-N 388.467 4.001 0 1 GIAF COC[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556442 JQQXJTHGUCBOSX-SIKLNZKXSA-N 398.361 4.174 0 1 GIAF Cc1ccc(OCc2nc3c(I)cnc(Cl)c3[nH]2)cc1 587565404 GVMDFBWEDBRUPD-UHFFFAOYSA-N 399.619 4.103 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)ccc1C2 587571966 STWKWRDOPABDLS-NZQKXSOJSA-N 376.383 4.421 0 1 GIAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(C)(C)C)n1 587579994 GJNBJEWPGPPKLH-YLJYHZDGSA-N 378.428 4.126 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-c2ccccc2)[nH]n1 587596218 PVYWWDBWPUISDK-NFBKMPQASA-N 384.391 4.485 0 1 GIAF COc1cc(OC)cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587600228 NECZPKDWLRTKBV-NFBKMPQASA-N 392.407 4.286 0 1 GIAF COc1ccc2c(c1)NCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587791655 GWFRWCHUOGMRCJ-WYRIXSBYSA-N 391.284 4.190 0 1 GIAF CC(=O)COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587796313 UBFVWCHVHJJHNU-JEOXALJRSA-N 392.268 4.180 0 1 GIAF CC[C@]1(c2ccc(C(=O)O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587826792 MACAXQGVIMKSJL-NSPYISDASA-N 392.268 4.474 0 1 GIAF Cc1nc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(S)n1 587842867 GTSSERVQSXXDDD-QPFGOUBPSA-N 396.329 4.081 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1ccccc1 587869650 OWMYHXIRLCRZRT-UHFFFAOYSA-N 378.379 4.218 0 1 GIAF CCOc1cc([C@]2(C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)ccc1OC 962621014 AYVBCEPWXZSNHZ-IQMFZBJNSA-N 385.504 4.251 0 1 GIAF c1coc(CN2CCc3sccc3[C@H]2c2cnc(-c3cnccn3)s2)c1 962712697 VTPBIQSKYSOYTD-SFHVURJKSA-N 380.498 4.402 0 1 GIAF O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccccn2)CC1 1772578759 MJZLKZMMRNQZMR-IYARVYRRSA-N 398.459 4.264 0 1 GIAF O=c1c2c3c(sc2n2cnnc2n1-c1ccccc1)C[C@H](c1ccccc1)CC3 1772622779 WPMFOPLMPWTEPG-MRXNPFEDSA-N 398.491 4.367 0 1 GIAF Clc1ccc2c(NCCOc3ccc(C4=NCCCN4)cc3)ccnc2c1 1857537827 BYURXYFJPQQUBN-UHFFFAOYSA-N 380.879 4.119 0 1 GIAF CC1=C(C(=O)O[C@H](C)C(F)(F)F)[C@H](c2ccoc2)N2C(=N1)Nc1ccccc12 1857607479 USGGIXUYELPVSJ-BZNIZROVSA-N 391.349 4.390 0 1 GIAF COc1ccc(C2=NOC3=c4ccccc4=CSC3=C2c2ccccc2)cc1 6484262 QJZCXUWXWCDMQL-UHFFFAOYSA-N 383.472 4.134 0 1 GIAF CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2F)[C@@H]1c1cccs1 6725204 YDOHZYMWQQYTSI-MOPGFXCFSA-N 380.444 4.436 0 1 GIAF COC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(=O)OC)cc1 25977050 OATNFNXCICFGDL-UHFFFAOYSA-N 394.508 4.403 0 1 GIAF OCCN1CCN([C@@H]2C[C@@H](c3ccc(Cl)cc3Cl)c3ccccc32)CC1 28088569 MURQASUUFILVAE-TZIWHRDSSA-N 391.342 4.180 0 1 GIAF CN1Cc2cc(OCCCN3CCCCC3)ncc2[C@@H](c2ccc(F)cc2)C1 28883218 LWZLGSJIXYLYMG-JOCHJYFZSA-N 383.511 4.053 0 1 GIAF CS(=O)(=O)c1ccc(-c2nc(NC3CCCCC3)cc(C(F)(F)F)n2)cc1 29131966 MPDFLWPEZWWSLK-UHFFFAOYSA-N 399.438 4.311 0 1 GIAF CC(C)(C)c1ccc(N2C(=O)CC[C@@H]2COCc2cccc(C(=O)O)c2)cc1 36486335 LCSGMLDYUJOVFW-HXUWFJFHSA-N 381.472 4.395 0 1 GIAF CC(C)N(CC[C@@](CCN1CC2CCC1CC2)(C(N)=O)c1ccccc1)C(C)C 39254138 XNNKAHOBDJOSAW-LQOCYXTFSA-N 399.623 4.183 0 1 GIAF NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCc2cccc(F)c2)cc1 66263543 BZYRMCWIFYJDQA-UHFFFAOYSA-N 389.474 4.299 0 1 GIAF c1ccc(-c2[nH]c3ccccc3c2-c2ccnc(NCCN3CCOCC3)n2)cc1 72108051 HUTBIXFQVWPMKE-UHFFFAOYSA-N 399.498 4.036 0 1 GIAF COC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 72180936 YYOMPWSMTVASEY-CQSZACIVSA-N 379.460 4.012 0 1 GIAF Cc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N2CCc2ccccn2)cc1C 95554692 OMNRGNMKVRPIKA-QFIPXVFZSA-N 385.467 4.077 0 1 GIAF O=C(O)c1ccc2c(c1)[C@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 100721988 WJAIXKHFYYKSIQ-VXKWHMMOSA-O 384.411 4.283 0 1 GIAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)cc1)c1ccccc1 103292584 LAZQUFCLSFRUGS-KRWDZBQOSA-N 384.752 4.447 0 1 GIAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-c3scnc3C(C)C)c2)nc1 113764320 VISIRZUUPBTLFX-HNNXBMFYSA-N 395.528 4.415 0 1 GIAF CCc1ccc(-c2nc(-c3nc4nc(Br)c[nH]c-4n3)cs2)cc1 587015921 YOPAIVCGXNBIKT-UHFFFAOYSA-N 386.278 4.420 0 1 GIAF CCOc1ccccc1[C@](N)(c1nc2ccc(C(C)(C)C)nc2[nH]1)C(F)(F)F 587092954 PGLKXHUPECSKQP-IBGZPJMESA-N 392.425 4.419 0 1 GIAF FC(F)(F)c1nn(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c2c1CCCC2 587120262 VAAOOAVVJJZJQF-UHFFFAOYSA-N 390.196 4.407 0 1 GIAF CC(=O)N[C@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587206398 LZOYCLDNZDJDJA-MRXNPFEDSA-N 377.366 4.190 0 1 GIAF N=c1cc[nH]cc1[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330549 BXDCOGGQVCZCDN-JTHBVZDNSA-N 390.414 4.003 0 1 GIAF O=C1c2ccc(O)cc2O[C@](CO)(c2ccc(Cl)cc2)[C@H]1c1ccc(F)cc1 587336516 YRFXZJYYLDXXBH-RBBKRZOGSA-N 398.817 4.431 0 1 GIAF Cc1nsc(N)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370318 AGUZHBQZBOSGBN-FXAWDEMLSA-N 384.432 4.153 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nnn(-c3ccccc3)c1C)CC2=O 587475201 KEVIJSKRJVHWGF-JOCHJYFZSA-N 377.444 4.114 0 1 GIAF C[C@]1(c2cc(F)c(O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559644 YJUBZNPNYKFUCW-DYESRHJHSA-N 384.334 4.253 0 1 GIAF Cc1ccc(C(=O)O)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605983 COIWYRDKYCHDKB-AUSIDOKSSA-N 390.391 4.276 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc([C@H]2CCCO2)s1 587616023 YOYFTQFPEOKOLH-OXFYSEKESA-N 395.436 4.403 0 1 GIAF Cc1nn(-c2c(C)[nH]c3ccc(F)c(Cl)c23)cc1I 587630837 QVAHFEIBHJUVAD-UHFFFAOYSA-N 389.599 4.368 0 1 GIAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccc(Br)cc1 587632009 AGKGZTDJFHVJBX-UHFFFAOYSA-N 376.181 4.087 0 1 GIAF C[C@@H](Oc1ccc2ccccc2c1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651894 GQDFCDXEMAFUNJ-CYBMUJFWSA-N 378.815 4.311 0 1 GIAF CC(C)C(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587703208 GDJNRNLTLNCTAA-PSLIRLAXSA-N 396.222 4.495 0 1 GIAF CC1=C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(N)cc2O1 587746827 OHJLLBSASDGISO-DGIBIBHMSA-N 389.268 4.244 0 1 GIAF Cc1nc2ccccn2c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587774133 LQIBZOOANZYDQY-WYRIXSBYSA-N 388.284 4.342 0 1 GIAF COc1cccc2c1OCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587836338 SSWJVKKXWOUZAC-WYRIXSBYSA-N 392.268 4.157 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2nccs2)N1 587852927 JIQKSEIIKQWXMW-XXFAHNHDSA-N 383.286 4.067 0 1 GIAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c2)c1 587932903 ROQDOCDMHSAMHE-UHFFFAOYSA-N 394.452 4.015 0 1 GIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C)cc(Br)c3[nH]2)cc1 587937203 OIHOPJAULGEMTO-GTNSWQLSSA-N 375.266 4.480 0 1 GIAF c1ccc(COCc2nnc(SC[C@H]3CCCCO3)n2-c2cccnc2)cc1 618017566 STBYNNNBTMJBOK-LJQANCHMSA-N 396.516 4.040 0 1 GIAF Cc1sc2c(c1C)CCN[C@]21CCNc2c1ccc(F)c2Br 963005113 DAUGDNNMCBULRY-KRWDZBQOSA-N 381.314 4.471 0 1 GIAF CN(C)CC1CCN([C@@H]2CCC[C@@]3(C2)c2c(F)cccc2C[C@H]2CCCN23)CC1 963108561 PDBLASRIIKTPSF-TZBSWOFLSA-N 399.598 4.258 0 1 GIAF O=C(O)c1cc(NC(=O)C2CCC2)cc(-c2ccc(C3CCNCC3)cc2)c1 1857572524 VMAPDEIOISPTTO-UHFFFAOYSA-N 378.472 4.257 0 1 GIAF Fc1ccccc1-c1c[nH]c2ccc(-c3cncc(N4CCCNCC4)n3)cc12 1857751195 CNJCQHGFLOVMGJ-UHFFFAOYSA-N 387.462 4.231 0 1 GIAF Cc1ccccc1C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccc(F)cc1 2724722 RATIPJMPZWUPQH-QFIPXVFZSA-N 392.405 4.457 0 3 GIAF COc1ccc(C(=O)Nc2cc(Cl)c(Br)cc2C(=O)O)cc1 66156701 IGPSUWGNHGRNJY-UHFFFAOYSA-N 384.613 4.062 0 3 GIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccncc2)C2=C(O)CC(C)(C)CC2=N1 19770316 HKVLIEDYXBFTCT-OXQOHEQNSA-N 396.487 4.248 0 1 GIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)NC(C)(C)C)[C@@H]3CC[C@@H]12 26387578 NNVCQUGSNITOPM-CGXYBBJHSA-N 388.596 4.381 0 1 GIAF CCCc1c(OCc2ccc(/C=C/C(=O)O)cc2OC)ccc(C(C)=O)c1O 27894955 QCOQZYPVEDZQKU-YRNVUSSQSA-N 384.428 4.233 0 1 GIAF CC1(C)CC[C@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21 28886260 ZIXQUQCWRLXDRC-QFIPXVFZSA-N 389.543 4.228 0 1 GIAF O=c1c2cc(F)ccc2nc(/C=C/c2ccccn2)n1-c1c(F)cccc1F 29483564 OJKOMLMAPYTVBJ-CSKARUKUSA-N 379.341 4.368 0 1 GIAF CCCCN1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1 34660818 FBQZQGMQBBKOGP-UHFFFAOYSA-N 391.515 4.337 0 1 GIAF CC(C)Cc1nc2c(NCc3ccccc3)ncnc2n1CC[C@H]1CCCN1C 82178561 UVXVOAXYWZWZIA-LJQANCHMSA-N 392.551 4.121 0 1 GIAF CC(C)Cc1nc2nc(N3CC=C(c4ccc(Cl)cc4)CC3)ccc2[nH]c1=O 82231794 QZEMOWSJIBJFLI-UHFFFAOYSA-N 394.906 4.464 0 1 GIAF CCNC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@H](CO)N1c1nc(C)c(C)s1 95895721 CBVKNURKXGGYLC-FSSWDIPSSA-N 397.588 4.270 0 1 GIAF COc1cccc(CN(C)S(=O)(=O)c2ccc(-c3cccc(OC)c3)cc2)c1 96935504 HEWWOXLVHWOXCV-UHFFFAOYSA-N 397.496 4.192 0 1 GIAF COC(=O)C[C@H]1CC[C@H](CCN2CCC(c3cccc4c3OCO4)CC2)CC1 100638831 ISOSQYKVVGDQAL-HDICACEKSA-N 387.520 4.354 0 1 GIAF O=C(Nc1ccc(O)cc1)c1ccc2c(-c3nc4cc(F)ccc4[nH]3)n[nH]c2c1 167161000 XQLWLJMSMCWFHS-UHFFFAOYSA-N 387.374 4.203 0 1 GIAF c1ccc([C@H]2CCCN(c3ccc4[nH]c(-c5ccnc(C6CC6)n5)nc4n3)C2)nc1 221057289 ASFASZGANVJXBJ-INIZCTEOSA-N 397.486 4.071 0 1 GIAF COc1cc2c(cc1OC)[C@H](C[C@@H](O)c1ccc(C(F)(F)F)cc1)NCC2 299852979 CJZHQFCDBGCSGH-DLBZAZTESA-N 381.394 4.033 0 1 GIAF COC(=O)c1cc2nc(-c3cccc(CO)c3)[nH]c2c(F)c1Nc1ccccc1 586895290 WBMOVFFAHYBKCP-UHFFFAOYSA-N 391.402 4.392 0 1 GIAF O=C(O)c1cc(F)cc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586977255 JYVCXFNRBGHYJM-UHFFFAOYSA-N 399.603 4.395 0 1 GIAF Cc1ccc2c(ccc3nc([C@H](N)Cc4cccc(Br)c4)[nH]c32)n1 586983330 AZAGUBHKVXCTAX-OAHLLOKOSA-N 381.277 4.425 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587043356 QBKFTYCJTCSLIV-LLVKDONJSA-N 375.391 4.341 0 1 GIAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cccc(O)c3[nH]2)c(C2CC2)n1 587232640 XKCXPSJAYRXKCW-UHFFFAOYSA-N 380.448 4.233 0 1 GIAF Cc1ccc2c(c1)NC(=O)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344350 BZAPAZBQJUEHRZ-NZQKXSOJSA-N 389.382 4.046 0 1 GIAF O=C(O)C1C[C@@H]2CC[C@H](C1)C21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354443 QREAMAJEYTUTJI-CDYUUOESSA-N 396.414 4.150 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C/N(C)C)(c1cccc(OC(F)F)c1)O2 587382672 NOSFBPFNKXGBJT-QQUYBBDPSA-N 388.414 4.115 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]3[C@@H]1CCN3C(=O)OC(C)(C)C)O2 587402369 ZPYSRWLOFHUJBA-JIGPKXGUSA-N 386.492 4.091 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(-c4ccc(C(=O)O)o4)cc1)[C@@H](C2)C3=O 587455163 KBCINGCVNOZXMP-HJPURHCSSA-N 390.391 4.316 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc(F)cc(F)c12 587567452 CUKAAZVTZBYNCY-DENIHFKCSA-N 396.345 4.310 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1cc(F)ccc12 587569830 MIADOIFWBGFAJK-KNQAVFIVSA-N 378.355 4.171 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nccn1Cc1ccccc1 587575653 GELUPFGFMSLCMN-OFNKIYASSA-N 398.418 4.340 0 1 GIAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnn1C(C)C 587584285 ZHNQDDZTGIJOOB-DENIHFKCSA-N 378.428 4.355 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CN(C)C(=O)OC(C)(C)C)N1 587742488 RTEIQFIUBWCFNG-GXFFZTMASA-N 387.293 4.030 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3nccs3)CC2)N1 587854221 QPZXSACKAHBVEJ-LLVKDONJSA-N 396.329 4.075 0 1 GIAF CCn1ncc2cc3nc(c21)CCCOC(C)(C)[C@@H](c1ccccc1)NC(=O)N3 1772648106 IQZTVUWHLDGYEH-HXUWFJFHSA-N 393.491 4.055 0 1 GIAF CC[C@@H](NC(=O)N1CC(=O)Nc2ccccc21)c1ccc(OC(F)(F)F)cc1 1772651067 QDSHMSGVROYLGN-CQSZACIVSA-N 393.365 4.205 0 1 GIAF CC=Cc1cc(OC)c(O[C@H](C)[C@@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 2356339617 QZBRVSFQZQNRIB-SPLOXXLWSA-N 388.460 4.255 0 1 GIAF CC1=C[C@H](CNC(=O)c2cccnc2)[C@@H](C(C)C)C[C@@H]1CC(=O)NC1CCCC1 2356745917 DWQWUJJSBZGDQV-KCZVDYSFSA-N 397.563 4.115 0 1 GIAF Cc1ccc(-n2nc3c(c2NC(=O)CCC2CCCCC2)C[S@](=O)C3)cc1 4105778 YYAHZOCLRLDPAZ-HHHXNRCGSA-N 385.533 4.242 0 3 GIAF CC(C)c1cc(-c2cc(C(=O)Nc3ccccc3)on2)nc(NCC2CC2)n1 12727052 LEZLNYBFLHRILT-UHFFFAOYSA-N 377.448 4.329 0 3 GIAF CCOC(=O)[C@@H]1CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 61896508 VCQOEPRGGJPUDW-MRXNPFEDSA-N 377.912 4.344 0 3 GIAF COCc1cccc(-c2csc([C@@H](NC(C)=O)c3ccc(F)c(F)c3)n2)c1 61904925 OISQBOFITODOOZ-IBGZPJMESA-N 388.439 4.460 0 3 GIAF CCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC1(CCCCC1)O2 2489235 AJQWORSNFMDKIH-FQEVSTJZSA-N 388.552 4.369 0 1 GIAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NC[C@H](O)c1ccccc1 4295395 UHNNDVPWVOQUTI-PWRODBHTSA-N 384.476 4.143 0 1 GIAF CCCCc1nc2cc(C(=O)N3CCC[C@@H](C(=O)c4ccccn4)C3)ccc2o1 14980052 MRBFIDRHNYLTAU-QGZVFWFLSA-N 391.471 4.301 0 1 GIAF CC1(C)CC(=O)[C@H]2[C@@H](c3ccc(F)c(Br)c3)n3nccc3N[C@@H]2C1 29246214 IWJQDBFMIKCNGT-XOKHGSTOSA-N 392.272 4.174 0 1 GIAF O=C(Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12)Nc1nc2ccccc2s1 34858585 GPYKALAXWIZIRO-UHFFFAOYSA-N 385.832 4.310 0 1 GIAF CN1[C@H]2CC[C@@H]1[C@@H]1COC(=O)CCCCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 36177616 VSVUJKJXMNJRFE-FNAHDJPLSA-N 398.547 4.479 0 1 GIAF C[C@@H]1NCCC[C@@H]1C(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1 40846455 LOUYPYUMEQLFIO-RYUDHWBXSA-N 394.566 4.048 0 1 GIAF CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c1 45259246 YSEUIWUKCXXQGI-UHFFFAOYSA-N 386.860 4.058 0 1 GIAF FC(F)(F)c1cccc(Sc2ccc3nnc(-c4nccs4)n3n2)c1 95601480 ZWQGJRJPALBDEM-UHFFFAOYSA-N 379.392 4.418 0 1 GIAF C[C@H](/C=C/C(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 118924392 BXUVIKFICAYYEQ-YYTFDPOSSA-N 390.564 4.254 0 1 GIAF Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3OC[C@H](C)F)c12 169708397 XOYQSJVAMHUQRB-QMMMGPOBSA-N 379.388 4.317 0 1 GIAF COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)C[C@@H](C)[C@@H](C)C2 238778611 ZFLHWWNSAUWBLR-TXEJJXNPSA-N 384.428 4.199 0 1 GIAF O=[S@](CCCc1nc2ccnc(Cl)c2[nH]1)c1ccc(Br)cc1 586959146 IWMWVXMKSKMRGO-JOCHJYFZSA-N 398.713 4.114 0 1 GIAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586962289 PFDJZBMJIZCFJC-LBPRGKRZSA-N 393.472 4.073 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1cnn(CC(C)C)c1)(C(F)F)CC2=O 587467229 RRCCBVMDBDNYGZ-HXUWFJFHSA-N 378.419 4.323 0 1 GIAF O=C1C[C@H](c2ccc(I)o2)Oc2c1ccc1c2CCCC1 587508404 VNZVBFZGPPHZPN-OAHLLOKOSA-N 394.208 4.470 0 1 GIAF Cc1nn(C(C)C)c(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582637 QOJNSBBUTHWAKB-KNQAVFIVSA-N 378.428 4.489 0 1 GIAF COCCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587597214 QCMBMJYZQQXBPS-OFNKIYASSA-N 392.407 4.120 0 1 GIAF CC(C)(C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648757 HIBFMICGLDECNZ-UHFFFAOYSA-N 391.876 4.254 0 1 GIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(F)cc1Br 587649977 NXRTYPRRIPNPKX-UHFFFAOYSA-N 382.254 4.448 0 1 GIAF Cc1[nH]c(C(=O)O)c(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790068 GQUNZIIJVPWCST-CVJBHZAOSA-N 395.272 4.029 0 1 GIAF CCOC(=O)[C@]1(CC(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800801 ZIBIMYTXWOPGEN-BBATYDOGSA-N 386.305 4.317 0 1 GIAF CC(=O)Nc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850515 ZKIMQOIAHPBWQU-ZKANADHPSA-N 383.286 4.232 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ncc(Cl)s2)N1 587851192 BEWIAQUOSXNINZ-WJWGPLDTSA-N 375.694 4.496 0 1 GIAF COc1ccccc1-c1nc2c(NCC3CCN(C)CC3)c(Cl)cnc2[nH]1 653781592 IYQSKDMFSFWHNN-UHFFFAOYSA-N 385.899 4.041 0 1 GIAF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2csc3c2CCCC3)N1 962627680 HJVOZURMRZBENV-CXAGYDPISA-N 397.418 4.214 0 1 GIAF CON/C=C\[C@@]1(c2ccc(OC)cc2)NCCc2cccc(-c3ccccc3)c21 962667513 OKLHVIVBRHBCRY-JZEUCFOZSA-N 386.495 4.416 0 1 GIAF Cc1ccc2ncccc2c1[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962968245 OHGWEKFBLFKUQJ-BEFAXECRSA-N 388.801 4.163 0 1 GIAF Cc1ccc([C@@]2([C@@H]3CCCC[C@H]3C(=O)O)NCCc3ccc(O)cc32)c(C)c1 963351590 HDRNVLOXKXBAHM-ZYKOEDHHSA-N 379.500 4.289 0 1 GIAF CCOc1ccc(-c2cc(NC(=O)c3ccc(Cl)cc3O)cnc2O)cc1 1857632603 ZIQARTHKNKUQSG-UHFFFAOYSA-N 384.819 4.464 0 1 GIAF CC(=O)OC[C@@H]1c2cc(C(C)=O)ccc2[C@]2(C)CCC[C@@](C)(COC(C)=O)[C@H]12 2356583660 CURFKBQZBNWQKE-SWUCNREESA-N 386.488 4.177 0 1 GIAF CC(C)[C@@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2[C@@H]3OCC4=C3[C@](C)(CC[C@@H]4O)CC[C@]12C 2356594696 ZAFBDBZIQHIUHT-GNOMZENUSA-N 376.537 4.065 0 1 GIAF CSc1ccc(C(=O)[C@@H]2CCCN(Cc3cccc4nccnc34)C2)cc1 59367298 KUWZAFOOZBSFHJ-GOSISDBHSA-N 377.513 4.447 0 3 GIAF C[C@@H]1[C@@H](NC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2cccs2)CCC[C@H]1C 245234905 GBUAIQSYTFUVOO-QBTDHISASA-N 382.529 4.386 0 3 GIAF O=C(Nc1cccc(Br)c1)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2 263590693 ITCHSYNGIOMNDV-VJUNAUMWSA-N 379.298 4.261 0 3 GIAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H]2CCCC[C@H]2O)c1 775592 WHVRMCSYDKQLNB-DLBZAZTESA-N 386.492 4.071 0 1 GIAF CN1C(=O)c2ccccc2[C@H](C(=O)N2CCCCC2)[C@@H]1c1c[nH]c2ccccc12 2469351 RFPUZHSVGAYGJK-VXKWHMMOSA-N 387.483 4.091 0 1 GIAF COc1cc2c(c(OC)c1)C(=O)[C@@H](CC1CCN(Cc3ccccc3)CC1)C2 13449438 VSALTLNPKJOGHE-FQEVSTJZSA-N 379.500 4.361 0 1 GIAF COc1cc(CCNCCCc2ccccc2)c(OC)cc1Br 13737376 RRGFJAFLSZGXSW-UHFFFAOYSA-N 378.310 4.231 0 1 GIAF Cc1c(C(=O)c2cccc3ccccc23)c2ccccc2n1CCN1CCNCC1 26832851 ZNJWCXLYJFVBLK-UHFFFAOYSA-N 397.522 4.239 0 1 GIAF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1C1=CCCC1 27871321 VAVYMCWHSKCTIU-UHFFFAOYSA-N 386.434 4.225 0 1 GIAF COC(=O)CCCC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1 29220150 OHJMCJYURIGWFW-UHFFFAOYSA-N 378.428 4.096 0 1 GIAF O=C(Nc1nccs1)[C@]1(CCO)CC2c3ccccc3C1c1ccccc12 40402246 YVBACOIBRADANS-OBFZPWGMSA-N 376.481 4.132 0 1 GIAF COc1cccc(-c2ccccc2)c1OCCNC[C@@H]1COc2ccccc2O1 40568193 JVQZYMVBXVUIPJ-LJQANCHMSA-N 391.467 4.171 0 1 GIAF Cc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccc4s3)CC2)nc1 64548498 XXWBDKZIZYLZPQ-UHFFFAOYSA-N 397.519 4.339 0 1 GIAF CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 71317520 UWPNKBCSKDRBJI-ZFGGDYGUSA-N 387.483 4.193 0 1 GIAF c1ccc(CNc2ncnc3c2nc(-c2ccccc2)n3C[C@H]2CCCO2)cc1 82178207 DKGGDMQTBPSTBJ-LJQANCHMSA-N 385.471 4.284 0 1 GIAF CC(C)C[C@@H](N)COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3 223660762 OIUYLSBRYNCHSV-OAHLLOKOSA-N 382.533 4.384 0 1 GIAF C[C@]12CC[C@]3(CO3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 299846915 KLVVFTGBOLOQST-SUGUKMKNSA-N 386.532 4.012 0 1 GIAF CC1(C)c2oc(COc3ccccc3)nc2CCN1C(=O)c1ccc(F)cc1 473103011 NBEVKDFCWNYVCR-UHFFFAOYSA-N 380.419 4.326 0 1 GIAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 587026116 AUPBXCXGPVYEDW-UHFFFAOYSA-N 394.500 4.011 0 1 GIAF COC(=O)c1cc2[nH]c(-c3ccccc3OCc3cscn3)nc2cc1OC 587029809 VBBBZFWKUDWKOZ-UHFFFAOYSA-N 395.440 4.061 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@H]3SCCc4sccc43)nc-2[nH]1 587037735 XXFKJCXTGMKOAE-HNNXBMFYSA-N 395.513 4.062 0 1 GIAF COC(=O)c1cc2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2cc1OC 587074850 DNMJFZHIHSDQHG-GOSISDBHSA-N 399.878 4.349 0 1 GIAF O=C1CCc2cc3nc(-c4cc5cnccc5nc4C(F)(F)F)[nH]c3cc2N1 587116019 KAEHJADRWDWPIT-UHFFFAOYSA-N 383.333 4.077 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)c(F)c2)c1 587147563 TZHCHEZBDDHFNQ-UHFFFAOYSA-N 398.781 4.138 0 1 GIAF O=C(O)c1cccc2nc(-c3cc(I)ccc3Cl)[nH]c12 587183634 ZTRMYIUFRPJTJM-UHFFFAOYSA-N 398.587 4.186 0 1 GIAF COc1ccnc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587336851 KOIVNJTZAPAVOF-RBBKRZOGSA-N 379.387 4.209 0 1 GIAF CC[C@@]1(C2(C(=O)OC)CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345909 ADCMOSRRABAXFB-AUSIDOKSSA-N 398.430 4.382 0 1 GIAF C=Cc1nc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]1 587347245 OQTLXPQJDZGJPY-KNQAVFIVSA-N 378.403 4.480 0 1 GIAF COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1cc(C)cc(C)c1)[C@@H](C2)C3=O 587447604 TWUJYLBRWKTNRM-FDDCHVKYSA-N 380.440 4.210 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1CC=CC[C@@H]1C(=O)O)[C@@H](C2)C3=O 587448258 BUXHQPWDNYQHKV-GSRZOBFVSA-N 390.435 4.005 0 1 GIAF O=C(O)COc1ccc(Cl)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500678 NAWLOZMFNHPCQZ-IBGZPJMESA-N 386.831 4.389 0 1 GIAF CN(C)C(=S)Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587534240 XRSUKIFGUTXSIV-HXUWFJFHSA-N 381.497 4.497 0 1 GIAF Oc1nc(O)c2ccc(-c3c(O)nc4ccccc4c3-c3ccccc3)nc2n1 587555487 OSNUHBNRPGEPTI-UHFFFAOYSA-N 382.379 4.024 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccccn1 587576305 ILUKAAPPRDIBSA-NZQKXSOJSA-N 384.391 4.281 0 1 GIAF COc1cc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587597500 ZBSFTKVSGUSDSN-NFBKMPQASA-N 392.407 4.069 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(cnn3C)c2)N1 587755512 AKHOWHHAHUIPEE-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF CCn1ncc([C@@]2(CC)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587763603 KJXYFDSAIBREFH-ZMZPIMSZSA-N 380.305 4.301 0 1 GIAF Cc1cccc2c1NCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587791091 FGDKOHRQGXXRQV-BUXKBTBVSA-N 375.285 4.490 0 1 GIAF COc1cccc(-c2cc(O)cc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2)c1 587931766 DGCSQFAJLMKZES-UHFFFAOYSA-N 378.359 4.448 0 1 GIAF Cc1cc(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)cnc1N 653668779 QORZJUPQLUQVLM-AWEZNQCLSA-N 389.455 4.032 0 1 GIAF CCc1ccc(C(=O)C[C@]2(C(F)(F)F)NCCc3c2c(C(C)C)nn3C)cc1 962912852 AZXXSXXESZFKRW-FQEVSTJZSA-N 393.453 4.282 0 1 GIAF CN1C(=O)C[C@H]2CN[C@](CC(=O)c3ccccc3)(c3ccccc3)c3cccc1c32 963022440 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COC(=O)c1coc2c1-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586992438 WXGDAAWWSZMTLO-UHFFFAOYSA-N 397.386 4.297 0 1 GIAF Cc1cc(C)c2nc(-c3cc4cc(Br)c(O)cc4oc3=O)[nH]c2c1 587000562 QSBLYMWRYSFPOI-UHFFFAOYSA-N 385.217 4.421 0 1 GIAF Cc1csc([C@](O)(Cc2nc3cc4ccccc4cc3[nH]2)C(F)(F)F)n1 587094207 MQQUTQMZBHRVJO-QGZVFWFLSA-N 377.391 4.474 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cccc(O)c3[nH]2)c1 587147697 XZEMJKJFRNWOGO-UHFFFAOYSA-N 378.359 4.448 0 1 GIAF Cc1cc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2cc1Br 587171779 SJGAQSJPGFVOHG-UHFFFAOYSA-N 377.213 4.230 0 1 GIAF COc1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cc1F 587203406 NRZFSCQWXKNXHU-UHFFFAOYSA-N 384.411 4.228 0 1 GIAF CNc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1N 587339447 RTLZWBBKIWBVSK-GMAHTHKFSA-N 392.430 4.430 0 1 GIAF CC[C@]1(c2c(C)n(CC(=O)O)c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587389870 KOLWNVVHWHVBHL-HSZRJFAPSA-N 392.455 4.196 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1nc(C)cc1C 587392912 XJVPZAMEXSNSTI-QFIPXVFZSA-N 391.471 4.154 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccnn4C(C)C)c1C)[C@@H](C2)C3=O 587432809 RLURQSBJDDUSFL-FDDCHVKYSA-N 391.471 4.369 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OC)(c1ccccc1Cl)CC2=O 587459012 AVGBYGSTCYQASZ-OAQYLSRUSA-N 388.847 4.422 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 587474806 HHBGMBZDPSAXIP-LRTDBIEQSA-N 375.465 4.078 0 1 GIAF CCOC(=O)c1nn(C(C)(C)C)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516806 WSTOPHZBXWVIBR-IBGZPJMESA-N 396.487 4.400 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nccn1-c1ccccc1 587574002 ADGHNXXTIXHZBK-UGKGYDQZSA-N 384.391 4.281 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(-c3ccccc3)n2)N1 587766238 UZCDUBKXPLQYJM-BLVKFPJESA-N 386.268 4.398 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587798941 QFOMEXFHDCIZGY-VIOOABJFSA-N 398.316 4.317 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(C)CC(=O)C[C@@]3(C)C2)N1 587817110 ILRJDURXANAOKY-KOYCAYGZSA-N 380.301 4.487 0 1 GIAF CCC(=O)OC1=C(C)OC=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587829319 BSOVINHHNQFVET-XTZNXHDOSA-N 396.256 4.046 0 1 GIAF COc1ccc(/C=C/Cc2nc3c(F)cnc(Br)c3[nH]2)c(OC)c1 587929267 LRTIXBOMERWYGF-ONEGZZNKSA-N 392.228 4.133 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(-c4cccc(F)c4F)o3)c3cccc1c32 963036606 XUDAFUNHFOPEPX-IPQOISQHSA-N 380.394 4.368 0 1 GIAF Cc1cc(CN2CCC(C)CC2)c(C)c([C@@H]2NCCc3c(C(=O)O)cccc32)c1 963119411 DXLLGGGTRWLFNO-XMMPIXPASA-N 392.543 4.469 0 1 GIAF Cc1ccccc1NC(=S)N[C@H](NC(=O)/C=C/c1ccccc1)C(C)(C)C 1772596046 CVNIQLHQWGKNHB-JWHUVLAVSA-N 381.545 4.483 0 1 GIAF COc1ccc2oc(=O)c(C(=O)C(F)(F)F)c(Nc3ccc(F)cc3)c2c1 1772640610 NVMNLKJNHLRHLU-UHFFFAOYSA-N 381.281 4.429 0 1 GIAF O=C(O)c1cccc(-n2c(SCc3ccccc3)nc3ccccc3c2=O)c1 1857573306 OQCWBWYEALRBDR-UHFFFAOYSA-N 388.448 4.376 0 1 GIAF CC(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@@H]1C(=O)c1occ(C)c1[C@@H]2OC(=O)C(C)C 2356745083 BSVVKCYFWUIZLC-YQSMPVKFSA-N 376.449 4.009 0 1 GIAF CCCCn1nc2cc(C(=O)NCc3ccccc3OC)ccc2c1OCC 8628236 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396.568 4.465 0 1 GIAF CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccccc2)C[C@@H]3C)n1 169702305 QVORYOYBXKGHSN-AWEZNQCLSA-N 385.475 4.164 0 1 GIAF O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1cccc(Cl)c1 206067869 VWJYATPZBLSDFZ-UHFFFAOYSA-N 378.925 4.169 0 1 GIAF Clc1cccc2sc3c(N4CCCNCC4)nc(-c4ccncc4)nc3c12 223669239 SRSPSOGPXNIZNU-UHFFFAOYSA-N 395.919 4.360 0 1 GIAF Cc1ccc(-n2ccnc2SCc2nc3cccc(C(=O)O)c3[nH]2)c(C)c1 586966213 JNMAZRNUGLFCHW-UHFFFAOYSA-N 378.457 4.356 0 1 GIAF N[C@H](N=O)c1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587017910 STCONLRQZGXQJW-QGZVFWFLSA-N 377.429 4.012 0 1 GIAF Cc1c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cnn1-c1ccc(Cl)cc1 587075200 GKTZPCMUROCLER-UHFFFAOYSA-N 379.851 4.079 0 1 GIAF CN[C@H](c1cccnc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587225578 XWNCYHANXZPUIB-GFCCVEGCSA-N 385.187 4.048 0 1 GIAF Cc1cccc(NC(=O)Cc2nc3c(Cl)c(Br)cnc3[nH]2)c1C 587239203 LSKVOSHDAGOVSS-UHFFFAOYSA-N 393.672 4.172 0 1 GIAF COc1cncc(NC(=O)OC(C)(C)C)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587391034 RPNWOGUVALFNAV-MRXNPFEDSA-N 399.447 4.034 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CNC(C)C)(c1ccccc1OC)CC2=O 587472289 ZXBFWZNYEQZLCF-HSZRJFAPSA-N 383.488 4.212 0 1 GIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c1O 587545169 OGJZOZQFPGFMGA-LAUBAEHRSA-N 398.798 4.463 0 1 GIAF COc1c(F)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587558757 UERAWKMPRSPVKN-YLJYHZDGSA-N 384.334 4.382 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccccn2)N1 587757787 VYKBBIKCGFBSET-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF COc1cc(CC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccn1 587775049 YIMFTLQFCPTNSS-APPDUMDISA-N 379.273 4.200 0 1 GIAF C[C@@H]1Nc2ccccc2C(=O)[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587797973 UCLSMGVVGYNACF-FDMGOTLNSA-N 389.268 4.015 0 1 GIAF COC(=O)[C@@H]1CCC[C@@]2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587809550 RYKJEOIBEQGGHZ-IUUKEHGRSA-N 384.289 4.071 0 1 GIAF CC[C@@]1(Cc2nc3cc(Br)ncc3[nH]2)CC(=O)c2ccccc2C1 587961718 SWZIDMOGUQXERO-IBGZPJMESA-N 384.277 4.488 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@@H](c2ccccc2-c2cccnc2)N1)C(F)(F)F 962763331 KDCVDZCFPABQAZ-UXHICEINSA-N 382.385 4.484 0 1 GIAF Cc1ccccc1[C@@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962922995 LMSLKXFQXQYADW-VXKWHMMOSA-N 375.424 4.181 0 1 GIAF Cc1cc(C)cc([C@@]2(c3ccnc(C)c3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963015960 BOEHVHGWJHYJIF-AFMDSPMNSA-N 397.522 4.352 0 1 GIAF COC[C@]1(c2cccc(C(F)(F)F)c2)NCCc2c(OC)ccc(Cl)c21 963271933 YALVCLQLQVCJLC-GOSISDBHSA-N 385.813 4.403 0 1 GIAF CN1[C@H]2CCC[C@H]1CC(OC(=O)c1c(Cl)n(CCF)c3ccccc13)C2 1772613078 VJHVBKYZFSTOHV-KBPBESRZSA-N 378.875 4.436 0 1 GIAF CCc1c(C(=O)N[C@H](CO)Cc2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12 1857761559 NKDOVTDNXAHICT-HNNXBMFYSA-N 391.298 4.371 0 1 GIAF CCOc1ccccc1C1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N(C)C 773243 JMQCLWZMGUNKQV-PKOBYXMFSA-N 390.842 4.058 0 1 GIAF CC(C)(C)c1noc(-c2ccsc2)c1C(=O)N[C@H](CO)Cc1ccccc1 775736 UXCYAVLZKNTRRU-INIZCTEOSA-N 384.501 4.034 0 1 GIAF Cc1cnc(CNc2ncnc3ccc(-c4ccccc4CN(C)C)cc23)cn1 4268138 PHKNDBAZJMAIPV-UHFFFAOYSA-N 384.487 4.069 0 1 GIAF C[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1sc2ccccc2c1=O 6799831 VCLLPQQGUHYREV-MRXNPFEDSA-N 380.513 4.105 0 1 GIAF COc1cc2[nH]c(-c3ccc4c(c3)[C@H](O)CCC4)cc(=O)c2cc1-c1cnco1 12354275 NYDUUDHYORKLIC-HXUWFJFHSA-N 388.423 4.228 0 1 GIAF C[C@@H](c1nccs1)N(C)Cc1ccc(-c2nc(-c3ccoc3)cc(=O)[nH]2)cc1 23379922 TXXCDSUMZFSMMZ-AWEZNQCLSA-N 392.484 4.346 0 1 GIAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)NC(C)(C)C)cc21 29479127 TUWYCYWXYVTGMA-UHFFFAOYSA-N 395.459 4.316 0 1 GIAF CCOC(=O)C[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801231 BKHTUFWIZQYTIT-YPLUFQGESA-N 375.553 4.419 0 1 GIAF COc1cc(N)c(Cl)cc1C(=O)NC1CCC(NCC2CCCCC2)CC1 45188548 OETYOVPCMJSHQG-UHFFFAOYSA-N 393.959 4.142 0 1 GIAF O=C(O)c1cn(Cc2ccc(-c3ccc(F)cc3)cn2)c2c(F)cccc2c1=O 45367882 ADWFNKOMLGVVTI-UHFFFAOYSA-N 392.361 4.088 0 1 GIAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(NCC3CC3)nc2-c2ccc(F)cc2)C1 82140501 KRKKKXUUWOBHAM-HUUCEWRRSA-N 382.483 4.223 0 1 GIAF O=c1cc(-c2cccc3[nH]ccc23)c2ccccc2n1C[C@H]1CN2CCC1CC2 101668889 IOTQYEJCFAERLM-GOSISDBHSA-N 383.495 4.492 0 1 GIAF Cc1nn(-c2cc(NC(=O)Nc3ccccc3)ccc2Cl)c(=O)n1C(F)F 103210852 LLIINZIDDBAMDX-UHFFFAOYSA-N 393.781 4.035 0 1 GIAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3cccc(O)c3)o2)[C@@H](C)O)c(C)c1Cl 146538632 BMEHDVOBZOEISJ-PIGZYNQJSA-N 384.823 4.489 0 1 GIAF O=C(O)CCCCNC(=O)c1ncc2cc(Sc3ccccc3)ccc2c1O 146757770 FEHZWPNAZATNFN-UHFFFAOYSA-N 396.468 4.076 0 1 GIAF CC(=O)CC[C@@H]1[C@H]2[C@@H](O)[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@@]12C 169295095 MZRGOEIFXVZAOF-XMQYZFCPSA-N 384.516 4.270 0 1 GIAF O=C1/C(=C/c2cccc(OCc3ccc(F)cc3)c2)N=C2SCCCCN12 169322719 LTOMIGDXDJJDTE-UYRXBGFRSA-N 382.460 4.471 0 1 GIAF CC(=O)CC[C@@H]1[C@H]2[C@H](O)[C@H](C(C)C)[C@H](OC(=O)/C=C\c3ccccc3)C[C@@]12C 238742667 MZRGOEIFXVZAOF-OKMZOSEISA-N 384.516 4.270 0 1 GIAF O=C(O)c1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2c1 587016470 BIGVRJICBKPCFQ-UHFFFAOYSA-N 387.424 4.098 0 1 GIAF Cc1oc(-c2ccsc2)nc1Cc1nc2c(Br)ccnc2[nH]1 587027180 QKZYHEOHFOWDSK-UHFFFAOYSA-N 375.251 4.336 0 1 GIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Br)c(F)cc2[nH]1 587071280 ZCHHEJSPNZSCRL-SNVBAGLBSA-N 382.664 4.403 0 1 GIAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cccc(Br)c3[nH]2)n1 587118968 VJGXVAXYYIEJQF-UHFFFAOYSA-N 385.187 4.466 0 1 GIAF Cc1cc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2cc1Br 587177531 LVBHCVZUIBXMDB-UHFFFAOYSA-N 375.245 4.435 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(N3C(=O)c4ccccc4C3=O)c1)O2 587392924 XPHZFTBXYXMJOB-OAQYLSRUSA-N 398.418 4.084 0 1 GIAF O=C1C[C@@H](c2ccc(N3CCSCC3)nc2)Oc2c1ccc1c2CCCC1 587537549 HNLTUZNPPWETMD-FQEVSTJZSA-N 380.513 4.220 0 1 GIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1C 587590960 DUPDZIXLBMPPNG-AUSIDOKSSA-N 392.407 4.421 0 1 GIAF COc1cc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587719816 LYYYQUOUZQEWFR-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF COC(=O)c1cc(F)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587734714 VCJFMMVJJMWWGB-HUTHGQBESA-N 396.231 4.138 0 1 GIAF CC(=O)Nc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587744647 SDLUWVHIYDNIFY-XTZNXHDOSA-N 377.257 4.170 0 1 GIAF COc1cc(OC)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587809104 POVAKPRFLALCRB-XTZNXHDOSA-N 380.257 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H]2CCOC2)N1 587837139 ZRTNNJNLQTWMPK-PSGMQZRDSA-N 390.296 4.403 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(Cl)nc1 587861695 XEFZEWVBMONHSO-UHFFFAOYSA-N 381.741 4.314 0 1 GIAF CCCCOc1ccc2nnnc(Nc3cccc(OC(F)(F)F)c3)c2n1 653708741 LRKKCCXBMYXSPN-UHFFFAOYSA-N 379.342 4.241 0 1 GIAF Cc1cncc(C)c1[C@H]1N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963168089 FSIWUGQEIAUPDX-HOCLYGCPSA-N 384.785 4.059 0 1 GIAF CC(C)(NCc1cc([C@]2(C)CCSC(=N)N2)c(F)cc1F)C(F)(F)F 1772602514 JMOHXAUCSPMQGB-HNNXBMFYSA-N 381.414 4.272 0 1 GIAF CCOc1cc2c(cc1OC)[C@@H]1Cc3c([nH]c4ccc(OC)cc34)CN1CC2 1772627254 YLXQRPUNHOVLSF-NRFANRHFSA-N 378.472 4.239 0 1 GIAF CC(=O)n1cc(C(=O)Nc2cc(CC(C)C)cc(C(=O)O)c2)c2ccccc21 1857644225 YWXZHQPPSVOSLK-UHFFFAOYSA-N 378.428 4.450 0 1 GIAF Fc1ccc2nc(CO[C@@H]3CN(Cc4ccc(Cl)cc4)C[C@H]3F)[nH]c2c1 2356357949 VZOZVIWYCCKCMF-CRAIPNDOSA-N 377.822 4.095 0 1 GIAF CC(=O)O[C@H](CNC(=O)C=Cc1ccccc1)c1ccc(OCC=C(C)C)cc1 2356566426 HEOHAISYUOGPDX-HSZRJFAPSA-N 393.483 4.465 0 1 GIAF O=C(Nc1ccccc1)c1cc([C@@H]2CCCN(C(=O)c3cccs3)C2)on1 61927274 ZYODHASUQZVKDC-CQSZACIVSA-N 381.457 4.008 0 3 GIAF O=C1CCCc2c1cc(C(=O)Nc1ccccc1Cl)c(=O)n2-c1ccccc1 2488333 IWMKQMYXDKCIKV-UHFFFAOYSA-N 392.842 4.262 0 1 GIAF O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)NCc1cccs1 3063727 QTRXBJTYLCNKDC-UHFFFAOYSA-N 398.915 4.035 0 1 GIAF O=C(C[C@@H]1CN2CCC1CC2)Nc1cc2ccc(Br)cc2s1 3818273 RBXQEDNOVSSTPK-CYBMUJFWSA-N 379.323 4.334 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NC[C@H](O)CC 4213410 COALRPBIMWYHQZ-MDASCCDHSA-N 398.906 4.380 0 1 GIAF CC[C@@H](C(=O)NCc1ccccc1Cl)n1c(=O)c2cccn2c2ccccc21 6782386 KLYOYWNOTVZGRA-KRWDZBQOSA-N 393.874 4.175 0 1 GIAF O=C(NC1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2c(C2CCCCC2)ccc1=O 25430475 MPCGEHAKCCLBHK-MJGOQNOKSA-N 397.563 4.357 0 1 GIAF biogenic O=C(O)[C@H]1CCCN(CCOCCC2c3ccccc3CCc3ccccc32)C1 26258096 UEISPWWZFOBZID-NRFANRHFSA-N 393.527 4.120 0 1 GIAF CC(C)C(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 28334186 YORRNIKYWACBIB-UHFFFAOYSA-N 390.468 4.283 0 1 GIAF O=c1[nH]c(C2=C[C@@H](N3CC=C(c4ccc(F)cc4)CC3)CC2)nc2ccccc12 28954700 QXUCMOLLZKKAIW-FQEVSTJZSA-N 387.458 4.397 0 1 GIAF CN1CC[C@H](NC(=O)Nc2cccc3[nH]ncc23)c2ccc(C(F)(F)F)cc21 28965056 ITFPFVZGWFKJMG-HNNXBMFYSA-N 389.381 4.284 0 1 GIAF FC(F)(F)c1ccc(-c2nc(Cc3ccccc3)nc3c2CCNCC3)cc1 29126543 MKVDTCNMTYYTHU-UHFFFAOYSA-N 383.417 4.441 0 1 GIAF NC(=O)c1sc2nc3c(c(CCc4ccccc4)c2c1N)CCCCCC3 49068778 CGYOGQIVPPSZQL-UHFFFAOYSA-N 379.529 4.422 0 1 GIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3cnc(CC4CCC4)nc3)C2)cc1 96172849 AHHZBAWIDPFWKC-MRXNPFEDSA-N 379.504 4.169 0 1 GIAF COC(=O)c1ccc(CCCCCCCCc2ccc(C(=O)OC)nc2)cn1 207188127 JAANGLDOUAZYFO-UHFFFAOYSA-N 384.476 4.176 0 1 GIAF COc1cccc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)c1 219746657 VMSAJLLFQIHJIZ-QHCPKHFHSA-N 389.495 4.160 0 1 GIAF CCOC(=O)OC[C@@H]1O[C@H](c2cc(C)cc(C)c2)C=C[C@H]1OC(=O)OCC 299813228 MTNRXWGXIGXDEC-KSZLIROESA-N 378.421 4.014 0 1 GIAF Cc1cnc(N2C[C@H]3C[C@@H](c4ccccc4C(F)(F)F)C[C@H]3C2)nc1C(=O)O 473090855 PXPHVAUPBVENDI-ZSOGYDGISA-N 391.393 4.132 0 1 GIAF N=C(N)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=N)N)cc4)nc3)cn2)cc1 473096805 ZYLUQJMMBRNCFX-UHFFFAOYSA-N 392.466 4.046 0 1 GIAF O=C(O)c1cccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586961779 XQFWYGUJLWTUGZ-NDEPHWFRSA-N 390.464 4.299 0 1 GIAF Nc1ccccc1C(=O)OCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988047 WSOBARSHDLPATN-UHFFFAOYSA-N 396.402 4.091 0 1 GIAF N=c1cc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c[nH]1 586998680 NCQOLWPAGPYVRL-UHFFFAOYSA-N 395.260 4.379 0 1 GIAF O=C1C[C@H](Cc2nc3cc(F)cc(F)c3[nH]2)c2c(Br)cccc2O1 587004274 SHJHQOJWWQURMQ-QMMMGPOBSA-N 393.187 4.239 0 1 GIAF N=c1[nH]c2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)nc-2c(Cl)[nH]1 587049206 ISTIRCPUGAQLTO-UHFFFAOYSA-N 384.226 4.170 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587079123 GNIFXCKMKQQFOQ-NSHDSACASA-N 390.777 4.262 0 1 GIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)ncc2[nH]1 587114158 WVKSZVYAAHTBTI-MRXNPFEDSA-N 382.773 4.030 0 1 GIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cc2N1 587127045 QIDYOXFLSBTGHC-XNCJUZBTSA-N 391.184 4.436 0 1 GIAF CN(C)CCOc1ccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2c1 587135681 AZGNBUAWNODJRQ-UHFFFAOYSA-N 386.471 4.069 0 1 GIAF Fc1cccc([C@H]2C[C@H]2c2nc3cc(I)cnc3[nH]2)c1F 587150680 DPAZHRXVVPLMFO-NXEZZACHSA-N 397.166 4.112 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc(Br)c1O)O2 587379019 ZOGJVJWBQANFPX-AWEZNQCLSA-N 382.641 4.405 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCCCC1 587398411 GLPGDXWMEIADOB-QFIPXVFZSA-N 380.488 4.278 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCCc4sc(Br)cc41)[C@@H](C2)C3=O 587453029 OUXAGXWEEKOPSH-SGTLLEGYSA-N 391.286 4.498 0 1 GIAF COc1cc(NC(C)=O)ccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587513655 TUCIIVRMWARNHF-HSZRJFAPSA-N 379.456 4.413 0 1 GIAF COCCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587525843 VOWPAQLOUDJICO-XMMPIXPASA-N 396.483 4.480 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ncccc1Br 587537719 AVJHOVZNKICYND-HNAYVOBHSA-N 398.212 4.253 0 1 GIAF C[C@]1(c2ccc(C(=O)O)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557878 POMQXOYUMXRMKT-PGRDOPGGSA-N 394.354 4.107 0 1 GIAF C[C@]1(c2csc(C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610257 BIWYHPHWFZJNRO-OXQOHEQNSA-N 382.393 4.029 0 1 GIAF Cc1nc(-n2ncc3ccc(Cl)cc3c2=O)c2c3c(sc2n1)CCCC3 587654776 ZQDNPEMYRKSUEW-UHFFFAOYSA-N 382.876 4.231 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CN(C)C(=O)OC(C)(C)C)N1 587742490 RTEIQFIUBWCFNG-ZWNOBZJWSA-N 387.293 4.030 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CN(C(=O)OC(C)(C)C)C2)N1 587760232 JVJURQNWBGICOQ-QFYYESIMSA-N 399.304 4.030 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3cnn(C)c23)N1 587762651 ZASPAMDYTVOFRQ-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF COc1ccc(-c2cccc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c2)cc1O 587786060 GONDRYWNLBDXBX-UHFFFAOYSA-N 378.359 4.448 0 1 GIAF CCCCOC(=O)[C@@H]1CCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587796949 UPSNHWFBGMKOJB-PJFSTRORSA-N 398.316 4.461 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2C(=O)O)N1 587824725 CUCNXZLYDZKXDY-XTZNXHDOSA-N 378.241 4.084 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](C(=O)O)C(C)(C)C2)N1 587825005 FJWSUYOLTSYOPF-MYFIVHGGSA-N 384.289 4.229 0 1 GIAF CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccccn1 618016951 XWTAXHOCANOKAZ-ACUMWEPGSA-N 389.543 4.170 0 1 GIAF COc1cccc([C@]2(OCC3CCCCC3)SC=C(C)n3c2noc3=O)c1 653905141 GGRCSNVIQUQMQA-FQEVSTJZSA-N 388.489 4.208 0 1 GIAF O=C(O)c1cc(F)cc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c1 961613933 IUTVMACXZJUBHI-INIZCTEOSA-N 376.225 4.054 0 1 GIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1c1cc(O)cc(O)c1 961752941 WSCICTSFLVTXRO-NRFANRHFSA-N 396.487 4.339 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@@]3([C@H]1CCCCCC1=O)C(F)(F)F 963059425 RETDJJRQHFRSKT-MGPUTAFESA-N 392.421 4.296 0 1 GIAF Cc1c(O)ccc2c1[C@H](c1cccc(SC(F)(F)F)c1)N[C@H](C(=O)O)C2 963521419 CBWFKQAOAXHBRC-BBRMVZONSA-N 383.391 4.001 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21C(c2ccccc2)=C(N)c2ccccc21 963609604 NQLZZPUVDDKSNJ-QMTYFTJSSA-N 398.506 4.322 0 1 GIAF Cc1ccc(CN2CC[C@@H](N3CCC[C@H](c4ccc(O)cc4)CC3)C2=O)cc1 1772571623 ZAIRIUOUQPUAPE-NZQKXSOJSA-N 378.516 4.071 0 1 GIAF CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCc3cccc(C(F)(F)F)c3C2)CC1 1857550464 KECLJXDGQOFDIE-JCNLHEQBSA-N 397.485 4.284 0 1 GIAF CC1=C[C@H](CN(C)CCO)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356302399 UNVKDIQEXKNQAQ-HBMCJLEFSA-N 383.536 4.058 0 1 GIAF CCn1c(SCc2nnc(Nc3ccccc3)s2)nc2ccccc2c1=O 1650469 PBLQCZANCHMAIS-UHFFFAOYSA-N 395.513 4.304 0 1 GIAF CC(C)CCNC(=O)CCCN1C(=O)c2ccccc2Sc2ncccc21 6797081 UWKZLTQYCRXTMN-UHFFFAOYSA-N 383.517 4.136 0 1 GIAF CCN(Cc1ccncc1)[C@@H]1CCCN(C(=O)CCCCc2ccccc2)C1 12435620 YOBXLMMZRBJPAK-HSZRJFAPSA-N 379.548 4.308 0 1 GIAF Cc1cc(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1 13762138 MEAMLMDMYOLDGW-UHFFFAOYSA-N 398.381 4.409 0 1 GIAF CC(=O)c1c(OCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)cc(C)nc1C 13826878 LHXAGPCKQWWRNE-UHFFFAOYSA-N 399.454 4.327 0 1 GIAF COC(=O)CC[C@@H]1N=C(c2ccccn2)c2cc(Cl)ccc2-n2c(C)cnc21 13860482 JGJJRQMHCYZKQT-KRWDZBQOSA-N 394.862 4.074 0 1 GIAF CCN(CC)[C@H]1Oc2cc3c(cc2[C@H](c2cccc(OC)c2OC)[C@@H]1C)OCO3 17252772 XFZQJONSCZRGGL-BKAZIGDYSA-N 399.487 4.261 0 1 GIAF CCOC(=O)N1CCN([C@H](c2ccc(C(C)C)cc2)c2cc(C)ns2)CC1 28246416 QSJQKHHJXAMYGM-HXUWFJFHSA-N 387.549 4.438 0 1 GIAF CCCN(CCC)c1nc2c(c(-c3c(C)cc(C)cc3C)cn2C)c(=O)n1C 35983224 RXFHTXAPXGDKTG-UHFFFAOYSA-N 380.536 4.491 0 1 GIAF in-vivo CCOC(=O)c1nnc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)o1 73165569 OHGOSHZMMVPINW-QGZVFWFLSA-N 396.834 4.255 0 1 GIAF O=C(O)CSc1nnc(-c2ccccc2Cl)n1-c1cccc(Cl)c1 96273179 BXTPEUUONMRMTA-UHFFFAOYSA-N 380.256 4.418 0 1 GIAF S=c1oc(-c2ccc3c(c2)OCCO3)nn1CNc1cccc(Cl)c1 96935192 OOYMOJHCHIXDBE-UHFFFAOYSA-N 375.837 4.367 0 1 GIAF CC(=O)Nc1cccc(-c2cccc([C@@H](C)c3n[nH]c(=O)c4c3CCCC4)c2)c1 169207619 WFKMVGZQOHTJQX-OAHLLOKOSA-N 387.483 4.426 0 1 GIAF CC1(C)OC(c2ccccc2)(c2ccccc2)C(=O)N(Cc2ccccc2)C1=O 169344269 SXNQPVSJFWZWFH-UHFFFAOYSA-N 385.463 4.294 0 1 GIAF CCCOc1ccc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(C)n1 169709224 DCHMXAGXQBVOTI-KKSFZXQISA-N 397.519 4.034 0 1 GIAF Cc1oc2c(c1-c1nc3c(Cl)c(Br)cnc3[nH]1)C(=O)CCC2 586902669 FEFUOPRWJDNHEF-UHFFFAOYSA-N 380.629 4.461 0 1 GIAF Clc1nccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586998424 JOAGZMKWQYBFHW-UPHRSURJSA-N 378.613 4.273 0 1 GIAF N[C@H](Cc1nc2c(Cl)c(Br)cnc2[nH]1)c1ccccc1Cl 587057860 SESNEUYPXIWEHY-SNVBAGLBSA-N 386.080 4.270 0 1 GIAF CN(C)/C=C/[C@]1(c2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340244 UQQXPQDCEIPCPQ-OQMUJVAMSA-N 393.414 4.454 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-n1ccnc1 587578044 PVKQYSVZUVUICY-NZQKXSOJSA-N 384.391 4.281 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCN(C3CCCC3)C2)N1 587771705 WTVFTZWDWSPFBI-ORAYPTAESA-N 381.333 4.356 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nc(O)oc3c2)N1 587777162 FORMKCKPRVWKLV-LZVRBXCZSA-N 391.240 4.233 0 1 GIAF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(C(=O)O)c1O 587941646 QWFPGTBVTIJCIJ-UHFFFAOYSA-N 375.764 4.041 0 1 GIAF CCCC(=O)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1 1857546576 RVYQKXPPVNRSQA-UHFFFAOYSA-N 391.254 4.462 0 1 GIAF CC(C)c1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1F 1857616674 GSRGGTHLTKJOFH-UHFFFAOYSA-N 375.407 4.330 0 1 GIAF O=C(NCc1ccccc1Cl)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205710842 RISJSMAQJWGLIU-XGHQBKJUSA-N 390.911 4.280 0 3 GIAF O=C1c2ccccc2C(=O)N1C[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1 13436982 ZXIPGUHBRFTYRJ-FDDCHVKYSA-N 396.446 4.139 0 1 GIAF CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc3ccccc23)CC1 13531258 VCFMMDVFGUQTHR-HXUWFJFHSA-N 386.561 4.115 0 1 GIAF O=C(O)[C@@H]1CCCN(CCOCCN2c3ccccc3C=Cc3ccccc32)C1 13863090 NIQMNNPILYBQFU-OAQYLSRUSA-N 392.499 4.122 0 1 GIAF CC(C)CNC(=O)c1cncc(-c2cccc(CNC3Cc4ccccc4C3)c2)c1 45195471 ZDJDZDFAEBBVLX-UHFFFAOYSA-N 399.538 4.391 0 1 GIAF Cc1ccc(NC(=O)Nc2ccc(Br)cc2)cc1OCCN(C)C 45231014 SBNBAMMCWOZYTF-UHFFFAOYSA-N 392.297 4.342 0 1 GIAF Nc1nc(Nc2ccc(F)c(Cl)c2)c2cc(CCc3ccccn3)[nH]c2n1 95586041 UZQKITFPIWWZPV-UHFFFAOYSA-N 382.830 4.256 0 1 GIAF O=C(Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2)Nc1ccccc1 95591864 QMLCQFFHWHNPJV-UHFFFAOYSA-N 383.451 4.055 0 1 GIAF CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)cc2)CC1 96273164 ZSTGWKVANQXSPG-UHFFFAOYSA-N 386.499 4.143 0 1 GIAF C[C@@H]1C[C@H](N)CN(c2ccncc2NC(=O)c2csc(C3CCCCC3)n2)C1 169706504 XFKAPHNFSNSIFR-ZBFHGGJFSA-N 399.564 4.012 0 1 GIAF CCC(=O)N[C@@H]1CCCc2c(-c3cc(Cl)c4c(c3)CCC(=O)N4C)cncc21 205014052 PYDLSXYBCSOQEO-LJQANCHMSA-N 397.906 4.215 0 1 GIAF COc1ccccc1-c1cncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)c1 261153283 PIJRRZUDFWWCLN-FQEVSTJZSA-N 390.439 4.011 0 1 GIAF Clc1c(Br)cnc2[nH]c(C[C@H]3OCCc4ccsc43)nc12 587036851 OJWIXFNZDGEOSZ-SECBINFHSA-N 384.686 4.292 0 1 GIAF O=C1CSc2ccc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)cc2N1 587043827 NPOBNJDHMDYFEM-UHFFFAOYSA-N 396.216 4.315 0 1 GIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc(C(N)=O)c3[nH]2)c1 587196513 YKPREJCKZQBZQV-UHFFFAOYSA-N 380.448 4.009 0 1 GIAF CC(=O)N[C@@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(C)cc1 587206397 LZOYCLDNZDJDJA-INIZCTEOSA-N 377.366 4.190 0 1 GIAF CCOC(=O)COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526530 XYXHDWHWLYXDCJ-NRFANRHFSA-N 380.440 4.214 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1ccc(F)cc12 587570201 NKAPAFUBZPZUKN-DENIHFKCSA-N 378.355 4.171 0 1 GIAF O=C(c1ccc(O)c(Cl)c1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656911 LGSSCOBVCPWWIU-UHFFFAOYSA-N 394.789 4.250 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](c3nccn3C)C2)N1 587752417 DKOUYGBEFRXMOO-VLXJIEOASA-N 392.316 4.409 0 1 GIAF CC(C)n1ccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587763608 KNDNHTKPAJZGLC-KPZWWZAWSA-N 380.305 4.358 0 1 GIAF CCOC(=O)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800797 ZHZWHTCKXVHUAW-BBATYDOGSA-N 386.305 4.317 0 1 GIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cncc(Br)c2[nH]1 587925525 CBGWZWORELDLRG-NSHDSACASA-N 376.254 4.280 0 1 GIAF CCC(=O)N1c2ccccc2CC[C@@H]1C(=O)Nc1ccccc1C(F)(F)F 653840747 ZWYAMBHDKOPSIN-QGZVFWFLSA-N 376.378 4.402 0 1 GIAF CCCc1ccc([C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962972442 IQJMJWSLWNOYPG-OXJNMPFZSA-N 379.834 4.433 0 1 GIAF C[C@@]1(c2cccc(F)c2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963172599 DEHRBALHEQEMIT-WBVHZDCISA-N 387.760 4.360 0 1 GIAF Cc1ncc(Cc2csc(CNCC34CC5CC(CC(C5)C3)C4)c2C)c(=N)[nH]1 1857771754 GNTZYJSCTRUFLJ-UHFFFAOYSA-N 396.604 4.464 0 1 GIAF COc1ccc([C@](C)(O)c2nc(-c3c(C)noc3C)nc3ccccc23)cc1 1911571882 CPXHWMYEUIQVBC-QFIPXVFZSA-N 375.428 4.166 0 1 GIAF COc1ccc2nccc(NC3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 13685223 BKFFZXVHNBFKOA-UHFFFAOYSA-N 391.471 4.049 0 1 GIAF COc1ccccc1CNC(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1C 13742622 NYYCJMICKJQGAQ-UHFFFAOYSA-N 398.462 4.144 0 1 GIAF CCOC(=O)OC[C@H]1O[C@H](c2cc(C)cc(C)c2)C=C[C@@H]1OC(=O)OCC 13783133 MTNRXWGXIGXDEC-OKZBNKHCSA-N 378.421 4.014 0 1 GIAF CC(C)N(CC[C@@]1(c2ccccc2Cl)C(=O)NCN2CCCC[C@H]21)C(C)C 28265013 DMEITOFFTBHYHV-UNMCSNQZSA-N 391.987 4.029 0 1 GIAF COc1ccc(CN2CCC(Nc3nc4ccccc4s3)CC2)cc1OC 28827107 QQZYHMFTJAQTNV-UHFFFAOYSA-N 383.517 4.390 0 1 GIAF COc1cccc(Nc2ccc3c(c2)/C(=C/Nc2ccccc2)C(=O)NC3=O)c1 29049652 GBQJHVXWHIDRBR-STZFKDTASA-N 385.423 4.162 0 1 GIAF O=C(Nc1ccc([C@H]2CCNC2)cc1)OCCc1ccc(OC(F)(F)F)cc1 72316894 SDUGAUKFAUBAGC-INIZCTEOSA-N 394.393 4.453 0 1 GIAF O=C(CSc1nc2c(c(=O)[nH]1)[C@@H](Cc1ccccc1)CC2)c1ccccc1 82154019 JHBHSNDSMKOPRX-QGZVFWFLSA-N 376.481 4.017 0 1 GIAF Cc1ccc(-c2c(C)nn3c(NCCN(C)C)cc(C(F)(F)F)nc23)cc1 95562100 HDSFBVTZOWFRCV-UHFFFAOYSA-N 377.414 4.005 0 1 GIAF COc1ccc(-c2ccc3ccc(-c4ccc(N5CCNCC5)cc4)nc3n2)cc1 103278557 FCKMEVNLOZRQBD-UHFFFAOYSA-N 396.494 4.382 0 1 GIAF O=C(Oc1ccccc1)c1ccc(Nc2ccc([N+](=O)[O-])c3nonc23)cc1 207166041 AFTQQNDZXLKERA-UHFFFAOYSA-N 376.328 4.094 0 1 GIAF c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(NC2CCCCC2)n1 223672808 FYLHMFHRDDCPPA-MRXNPFEDSA-N 394.548 4.272 0 1 GIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 586882382 QAVFRFCSZRJTPK-UHFFFAOYSA-N 376.334 4.390 0 1 GIAF CC(C)n1c(-c2nc3nccc(N)c3[nH]2)cc(Br)c1Br 587005079 MBOICGGISGPIPI-UHFFFAOYSA-N 399.090 4.115 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc(CCc3ccccc3Cl)nc-2[nH]1 587058637 HRSQWXMMONOKAM-UHFFFAOYSA-N 379.851 4.061 0 1 GIAF Cc1onc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)c1COc1ccc(Cl)cc1 587075474 JCRHUUYAJAYFMT-SFHVURJKSA-N 397.822 4.482 0 1 GIAF FC(F)(F)c1cccnc1-c1nc2cccc(I)c2[nH]1 587107515 BCGAJLFLYUZVKS-UHFFFAOYSA-N 389.118 4.248 0 1 GIAF Cc1cc2[nH]c(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)nc2c(C)n1 587240419 JYXSNVKPEQWQPF-UHFFFAOYSA-N 386.455 4.437 0 1 GIAF Cn1ncc(Cl)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326829 DDWIAWRIHRMQSN-FXAWDEMLSA-N 386.810 4.193 0 1 GIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1F 587382690 TXQGLHHKYYENJQ-OAHLLOKOSA-N 380.213 4.194 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1CC=CC[C@H]1C(=O)O)O2 587405541 XMVRBWBYVPYHHE-QSAZIKIQSA-N 377.440 4.105 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1csc(COc4ccccc4)n1)[C@@H](C2)C3=O 587450387 KBTMDVHIRUAAAG-BTYIYWSLSA-N 379.437 4.219 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](C)C(=O)OCC)CC2=O 587477493 CQHOGMDMRZYART-IQMFZBJNSA-N 382.456 4.405 0 1 GIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1cccnc1-c1ncccc12 587527949 VNMNHPQCYCXOBW-DEOSSOPVSA-N 382.419 4.079 0 1 GIAF Cc1nc(O)c(Cl)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544474 DUDSAVNLWLMLNN-DYESRHJHSA-N 397.814 4.332 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCN(C1CCCC1)C2 587594975 NYTAJYJTYWFMHI-OFNKIYASSA-N 379.456 4.131 0 1 GIAF Cc1c(C)c(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1O 587607848 IPYBSGCDLRBGMZ-FDDCHVKYSA-N 392.407 4.432 0 1 GIAF CC1(c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)COC1 587617981 SCMSBBKUTPNVDK-OFNKIYASSA-N 388.419 4.383 0 1 GIAF O=c1c2cc(Cl)ccc2cnn1-c1cc(C(F)(F)F)nc(C(F)(F)F)c1 587651674 NVUTVYCKPUVNCI-UHFFFAOYSA-N 393.674 4.472 0 1 GIAF COC(=O)c1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587721966 XGVKOQKDDNDDMZ-HUTHGQBESA-N 396.231 4.138 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(C(=O)c2ccc(F)cc2)N1 587730770 KQTUOSJKNWFYSS-MGNBDDOMSA-N 380.232 4.360 0 1 GIAF CC(C)N(C)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587738535 AZYUXAFWKBGPMA-CWTRNNRKSA-N 392.316 4.451 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)nc2)N1 587764543 FSKJSQCLNOXKIF-BLVKFPJESA-N 390.300 4.207 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C(C)(C)C)nc2)N1 587772154 DSZFMJZOCIMSAU-HWPZZCPQSA-N 378.289 4.299 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587805061 GIKCDWBTOJCIQG-BBATYDOGSA-N 392.268 4.307 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@H]1CC[C@@]2(C)C1(C)C 587818111 PYMZQHKMOZORJX-GDPFPQQOSA-N 380.301 4.343 0 1 GIAF COC(=O)c1csc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587850136 XIPBPOVPQKOSJE-GLEZIHRCSA-N 384.270 4.060 0 1 GIAF Cc1ccc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)cc1F 587923547 WBLBIECRLVGQQA-UHFFFAOYSA-N 376.478 4.320 0 1 GIAF CCCc1ccc([C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962972445 IQJMJWSLWNOYPG-UZLBHIALSA-N 379.834 4.433 0 1 GIAF CSc1ccc([C@@]2(C(C)C)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1 963226328 LKPHNHDOEXDMBN-FYYLOGMGSA-N 392.524 4.455 0 1 GIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3cc(OC4CCC4)ccc3C2)cc1 1772596313 UTSQNUXPTQFXFA-QGZVFWFLSA-N 378.516 4.373 0 1 GIAF CN(C)CCNC(=O)c1cc(-c2ccc(F)cc2)nc2c3c(ccc12)CCCC3 1857579860 JERRAAIQNZSYNN-UHFFFAOYSA-N 391.490 4.211 0 1 GIAF COc1ccc(OC)c2c1C[C@@H]1c3cc(CN4CCCC4)sc3CCN1C2 1857747618 QEJGJMJVTXHNOT-LJQANCHMSA-N 384.545 4.017 0 1 GIAF CC(=O)O[C@H](C=C(CCC=C(C)C)C(=O)O)C[C@H](C)[C@H]1C=C[C@@](C)(O)CC1 2356786910 SXVJMKQNUYLIKJ-JXYHXMIBSA-N 378.509 4.419 0 1 GIAF COc1c([C@H](CC(C)C)OC)ccc(O)c1C(=O)c1c(O)cc(C)cc1C=O 2356844754 NYVCMUXSLXFBIQ-SFHVURJKSA-N 386.444 4.192 0 1 GIAF COc1ccc2cc(C(=O)N3CCC[C@H](Nc4ccc(F)cc4)C3)n(C)c2c1 12307928 XIFJJPFWEITWKE-SFHVURJKSA-N 381.451 4.043 0 3 GIAF NC[C@H](Cc1ccccc1)NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 61948888 LXMZGCTUXUTLEC-KRWDZBQOSA-N 390.371 4.426 0 3 GIAF Cc1cccc(-c2cccc(COCc3cccc(-c4cccc(CO)n4)n3)n2)n1 1654060 TZGRALCUNFBVEJ-UHFFFAOYSA-N 398.466 4.118 0 1 GIAF COC(=O)c1ccccc1[C@H]1CN=N[C@]12Cc1c(C)c3c(c(C)c1C2=O)CCC3 5539856 LINJHLJVJTZHFG-HYBUGGRVSA-N 388.467 4.306 0 1 GIAF CC1(C)CC[C@@H]2Nc3ccnn3[C@H](c3ccc(F)c(Br)c3)[C@@H]2C1=O 29309764 MJPBFWJRPNCFTK-NUEKZKHPSA-N 392.272 4.174 0 1 GIAF CC(C)CS(=O)(=O)N(Cc1ccc2c(n1)C=CC(C)(C)O2)c1ccccc1 82158439 ADXGBBGMWKEJTR-UHFFFAOYSA-N 386.517 4.258 0 1 GIAF CC[C@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82167249 YNIKPOHQOPOBFT-LBPRGKRZSA-N 398.463 4.343 0 1 GIAF CCCc1nc2c(NCc3ccc(C)cc3)ncnc2n1CCN1CCCCC1 82179362 JPWVSJPWYQIZNT-UHFFFAOYSA-N 392.551 4.185 0 1 GIAF COC[C@H](C)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21 84672496 SIOLFVXVJUWTBT-JTQLQIEISA-N 378.259 4.281 0 1 GIAF O=C1Nc2c(C(=O)O)cccc2/C1=C(/c1ccccc1)c1nc2ccccc2[nH]1 84739145 FEIFRPGVCLWCHZ-VHEBQXMUSA-N 381.391 4.172 0 1 GIAF CCC1CCC2(CC1)S[C@H](C)C(=O)N2NC(=O)C12CC3CC(CC(C3)C1)C2 95563292 MXYRSLRMTMSNLV-BVDOXKNFSA-N 390.593 4.494 0 1 GIAF CCOc1ccccc1C(=O)N[C@@H]1CCN(CCOc2ccccc2C(C)C)C1 95573150 HQDFVBNAAKOTJK-LJQANCHMSA-N 396.531 4.092 0 1 GIAF CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(F)cc1 95595410 AULSCGFZXXUFHN-LJQANCHMSA-N 395.434 4.117 0 1 GIAF Cc1cn(CCCn2c(=S)[nH]c3sc(Cc4ccccc4)cc3c2=O)cn1 138385280 RRSRUDDLOUTCMQ-UHFFFAOYSA-N 396.541 4.307 0 1 GIAF CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccc(C)cc1)CCCC3 169686295 KSRAGVSAGPERSL-RBUKOAKNSA-N 377.488 4.268 0 1 GIAF COc1cc2c(cc1OC)[C@H](C[C@H](O)c1ccc(C(F)(F)F)cc1)NCC2 299852980 CJZHQFCDBGCSGH-IRXDYDNUSA-N 381.394 4.033 0 1 GIAF c1cc2c(cc1-c1nc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cs1)CCO2 587018114 VQCVVHGBKPWJEC-UHFFFAOYSA-N 391.452 4.450 0 1 GIAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4ccncc4[nH]3)n2n1 587120226 DHQOHDSRYZQNTN-UHFFFAOYSA-N 380.333 4.353 0 1 GIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2c(Cl)ccnc2[nH]1 587258290 FKSRJXIXGOLLOS-INIZCTEOSA-N 379.851 4.183 0 1 GIAF CCCOc1cc2c(cc1[C@@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)O[C@H](C)C2 587455105 ITWBWGVKNGRZBD-JALWBJTASA-N 380.440 4.296 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cc(C(=O)O)ccc2OC1(C)C 587478674 HZCOZTLITUZSQN-QFIPXVFZSA-N 382.412 4.075 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCC(=O)O)cc1)CC2=O 587479667 IZJRGJGFUNVWKV-JOCHJYFZSA-N 384.428 4.079 0 1 GIAF C[C@H]1CN(Cc2ccccn2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517558 PQMRUDFMIAEZMU-BXKMTCNYSA-N 376.500 4.206 0 1 GIAF C[C@H]1CCCCN1C(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587761557 PWYFIUGIOWIKGW-NQCMUKECSA-N 397.332 4.129 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3cnn(C)c23)N1 587761768 VTWQAVQDWIYNFF-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2ccccn2)N1 587774260 VCNKOZHPBSHLQN-RBZFPXEDSA-N 398.279 4.204 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3cc[nH]n3)o2)N1 587795221 NRTZGNCJVREAEM-XLFHBGCDSA-N 376.229 4.195 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H](C3(C)C)[C@@]2(C)O)N1 587829057 VUBWUZOVDXWTPY-CJNYJJCQSA-N 382.317 4.135 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=N)c1cc(Cl)ccn1 587861060 LHWXEBYSGYKDDF-UHFFFAOYSA-N 380.757 4.500 0 1 GIAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Br)nc2[nH]1 587927891 VUBXEIWTVGODFH-LLVKDONJSA-N 376.254 4.280 0 1 GIAF CCOc1cc(-n2c(OCC)cc(C(C)=O)c2OCC)c(Cl)cc1C(=O)O 587942075 UOYUOLVHNXFHET-UHFFFAOYSA-N 395.839 4.228 0 1 GIAF CCOCCc1nc2nc(C(=O)c3ccccc3)c(-c3ccccc3)c-2c(O)[nH]1 653810966 TUGFLUVADUKAFH-UHFFFAOYSA-N 387.439 4.092 0 1 GIAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1ccncc1Br 962692462 BKWSDTVMLXQYQG-XIKOKIGWSA-N 393.325 4.436 0 1 GIAF Cc1cc([C@@]2(c3cccc(Cl)c3)NCCc3c2c(C(C)C)nn3C)ccn1 962913216 BNKOCSFZWNRZQZ-JOCHJYFZSA-N 380.923 4.338 0 1 GIAF CCC[C@@]1(c2cc3c(cc2N)OCCO3)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962955168 XRPCVWOVGAJXIE-OWJWWREXSA-N 391.515 4.489 0 1 GIAF CCCOc1ccc2c(c1)OC(C)(C)C[C@]21NCCc2c(C(=O)O)cccc21 963121157 JNMXKYXFDICAEM-HSZRJFAPSA-N 381.472 4.124 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2ncc(-c3ccccc3)s2)N1 963240130 YADPCRVIQOGEOQ-UYAOXDASSA-N 387.464 4.047 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3c(cccc3OC3CCC3)C2)cc1 1772571577 WZOIXHDVNMWJHA-KRWDZBQOSA-N 378.516 4.373 0 1 GIAF NC(=O)c1cc(Cl)c2c(Cl)c(-c3ccccc3)n([C@H]3CCCNC3)c2n1 1772604207 LMUQPBXEPPNVJF-LBPRGKRZSA-N 389.286 4.034 0 1 GIAF Cc1cc(C)c(S(=O)(=O)N2CCC(N3CCC(C(C)C)CC3)CC2)c(C)c1 1857553136 GFMXODPGGRKPBL-UHFFFAOYSA-N 392.609 4.133 0 1 GIAF CN1CCN(c2nccc(Nc3ccc(-c4ccc(Cl)cc4)cc3)n2)CC1 1857562531 HETLJNNAYAXXRH-UHFFFAOYSA-N 379.895 4.292 0 1 GIAF CC=CC=C(C)C(=O)N[C@@H](COC(=O)Cc1c[nH]c2ccccc12)CC(C)C 2356325318 XAFLMOKLZWDATP-LJQANCHMSA-N 382.504 4.307 0 1 GIAF COc1ccc(-c2noc(-c3ccc(OC)cc3OC)c2C(=O)NC(C)C)cc1 776909 RXDHWEZEEWUMMN-UHFFFAOYSA-N 396.443 4.173 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NCCCOC 4213997 MZOXLOXVPBESLM-RTWAWAEBSA-N 390.524 4.252 0 1 GIAF O=C(c1cn(CC(F)(F)F)c2ccccc12)[C@@H]1CS[C@@H](c2cccnc2)N1 13737498 DMTZELSHTHNYCO-YJBOKZPZSA-N 391.418 4.185 0 1 GIAF C[C@H]1CC[C@@](Oc2ccc(CC(=O)Nc3ccc4c(c3)CCC4)cc2)(C(=O)O)C1 27524632 IGBQTBRMCUGPNH-FYSMJZIKSA-N 393.483 4.379 0 1 GIAF O=C(O)/C(=C/c1ccc(Oc2ccccc2F)cc1)NC(=O)c1ccccc1 28522850 QWFFTHVYHGEXHT-RGEXLXHISA-N 377.371 4.474 0 1 GIAF O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@H]1c1ccccc1)CC2 28564302 XMWPUEPUQVYCIC-XZOQPEGZSA-N 389.543 4.141 0 1 GIAF COc1ccc(NC(=O)Cc2cs/c(=N\c3ccccc3Cl)n2C)cc1 29124652 NNFXFQQKEWGYDA-QOCHGBHMSA-N 387.892 4.162 0 1 GIAF CCCc1[nH]c2c(C(F)(F)F)cccc2c(=O)c1C(=O)Nc1nccs1 29234115 BOHAJMLPOMNAMI-UHFFFAOYSA-N 381.379 4.208 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820849 PXHCARRJGFGPAC-ATIOCULMSA-N 390.564 4.398 0 1 GIAF Cc1ccc2c(O)c(Cc3c(O)c4ccc(C)c(C)c4oc3=O)c(=O)oc2c1C 45258683 YBMLSPDMGFNSQM-UHFFFAOYSA-N 392.407 4.135 0 1 GIAF Cc1nn([C@@H](C)c2ccccc2)c(=O)c2ncn3nc(-c4ccccc4)cc3c12 64446480 YXYBIINYZVZKPA-INIZCTEOSA-N 381.439 4.024 0 1 GIAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)c3ccc(N(C)C)cc3)cc2)C1 96929230 PLOHAMWJMYYAHV-WZONZLPQSA-N 392.547 4.068 0 1 GIAF CN(C)CCN(c1sc2ccccc2c1Cl)S(=O)(=O)c1ccccc1 115232605 VVRUBAYUIMOZCA-UHFFFAOYSA-N 394.949 4.312 0 1 GIAF CC(C)(C)NC[C@@H](O)COc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1 169317562 AHAUGUYGLHWMGN-GOSISDBHSA-N 383.467 4.011 0 1 GIAF Clc1ncnc2c1ncn2C[C@@H]1CC(c2ccccc2)=NN1c1ccccc1 220919923 YGAYOVGQWIIEDR-KRWDZBQOSA-N 388.862 4.163 0 1 GIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@H]3CCN(C4CCOCC4)C3)cc12 226056204 NQQIZYQFMVWRSU-HNNXBMFYSA-N 395.478 4.346 0 1 GIAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)cc1 299879698 LCLONUGBCWKLHY-NZXSMJOXSA-N 397.471 4.011 0 1 GIAF O=C(c1cccc2ccccc12)N1[C@H]2CC[C@H]1[C@@H](COc1ccc(F)cn1)C2 473179402 KILRUPZFIUOIAS-MMOPVJDHSA-N 376.431 4.446 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(O)c3[nH]1)N2 587030610 GJPQWGQHOCDDAY-QVASGMJFSA-N 386.502 4.395 0 1 GIAF Ic1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587035913 XCERPXQTTYZYGA-CYBMUJFWSA-N 396.253 4.086 0 1 GIAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587095059 OPXQCLDKOYCTOK-UHFFFAOYSA-N 398.270 4.243 0 1 GIAF CCOC(=O)C(=O)[C@@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587096490 KTKSQYOKONVWHN-GOSISDBHSA-N 399.446 4.307 0 1 GIAF CC1=C(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)[C@@H](C)N2NC=NC2=N1 587098197 VWOXLUNAJUJVDK-CQSZACIVSA-N 393.450 4.092 0 1 GIAF Fc1ccc(-n2nnc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c2C2CC2)cc1 587169106 VNFBMAZIDHUMET-UHFFFAOYSA-N 388.328 4.241 0 1 GIAF Fc1cc2c(c(Cc3nc4cc(Br)c(F)cc4[nH]3)c1)OCOC2 587171595 PONLKEYPWSYGQM-UHFFFAOYSA-N 381.176 4.061 0 1 GIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(F)cc(F)c2[nH]1 587259254 ZQBGCGCGEJUZMA-KRWDZBQOSA-N 380.398 4.413 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(C)c2Oc2cc(O)cc(O)c21 587406687 DDKSMMCTRVCZJJ-QHCPKHFHSA-N 389.407 4.312 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4COc4cc(F)ccc41)[C@@H](C2)C3=O 587429627 VWMMAUHSGVJIHM-YADARESESA-N 388.394 4.418 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccnn4C(C)C)c1C)[C@@H](C2)C3=O 587432816 RLURQSBJDDUSFL-MBSDFSHPSA-N 391.471 4.369 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CC(=O)N(c4ccccc4)c4ccccc41)[C@@H](C2)C3=O 587434972 CEIHYYZWGOMLML-UQBPGWFLSA-N 397.430 4.407 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O 587476485 UVHJOAWZWUFEAJ-IBGZPJMESA-N 389.492 4.326 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)OC)(c1ccc(C)cc1)CC2=O 587482691 VBCZCNHFPKKLCB-QHCPKHFHSA-N 382.456 4.467 0 1 GIAF COc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587600074 KQCLOQMJYVAPJZ-REWPJTCUSA-N 376.408 4.364 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3n[nH]c(Cl)c3c2)N1 587706365 PSRRZZBHPPPSJT-JKYUHCHBSA-N 395.663 4.137 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc[nH]2)(C(F)(F)F)N1 587711132 WBUKBILGPHTRMX-CLAHSXSESA-N 377.179 4.256 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3c(F)cccc32)N1 587738815 QVCHTMCKVJVAGY-YPMLDQLKSA-N 379.248 4.321 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ncon3)cc2)N1 587794627 NKGBWEKDVNMXBC-BMLIUANNSA-N 388.240 4.262 0 1 GIAF COc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1OC 587805923 ICFLBSOQAPTVFQ-BTDLBPIBSA-N 380.257 4.229 0 1 GIAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1 587810529 XUKVJTAEHFUZHA-XTZNXHDOSA-N 380.257 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CCC(=O)O)cc2)N1 587829629 RQIKACGARJVNJH-WLRWDXFRSA-N 392.268 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2cccs2)(C(=O)O)N1 587856623 YCMLJWPQFYJTJK-QXNKMSKUSA-N 396.281 4.177 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(NN)cc1 587859014 AWKBWOHOWYPTPG-UHFFFAOYSA-N 391.258 4.230 0 1 GIAF CCOc1cc(-n2c(O)cc(-c3ccc(F)cc3)c2O)c(Cl)cc1C(=O)O 587941992 SRIDVXSMDLFZKN-UHFFFAOYSA-N 391.782 4.445 0 1 GIAF CCc1nn2cc(-c3nc4ccc(OCc5ccncc5)cc4o3)nc2s1 653684784 ZLWVFQHFTFLNOV-UHFFFAOYSA-N 377.429 4.135 0 1 GIAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@H]2c1cc2cccnc2[nH]1 962959994 RNSRHXUVLLWVKW-SFHVURJKSA-N 387.405 4.323 0 1 GIAF Cc1cc([C@]2(c3ccccc3Br)NCCc3ccc(O)cc32)ccn1 963354337 WHODYRJWTXMOOF-OAQYLSRUSA-N 395.300 4.296 0 1 GIAF CCOC(=O)c1nc(C2CCCCC2)sc1-c1ccc2c(c1)NC(=O)CO2 1857594097 NSFKUAPTIVPAHO-UHFFFAOYSA-N 386.473 4.365 0 1 GIAF CCOc1ccc(Cl)cc1-c1cc(C(=O)NCc2ccccc2OC)[nH]n1 61903694 NJARXPBFPDJHTI-UHFFFAOYSA-N 385.851 4.067 0 3 GIAF Cc1ccc(CNC(=O)O[C@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4[C@H]2C)cc1 205711812 MDTVCRLMRDTGIU-XDTJVVMOSA-N 384.520 4.181 0 3 GIAF O=C1C[C@H]2CCN(C(=O)c3cccnc3)[C@H]3CCC[C@@H]([C@@H]1Cc1ccccc1)[C@@H]32 211062003 GYKWOXMBCGWOPK-XCHBDBKASA-N 388.511 4.160 0 3 GIAF CC(C)c1cccc2c(CCNS(=O)(=O)c3ccccc3)cc(C(=O)O)c-2c1 13826288 NDPPDKWPLNFRBK-UHFFFAOYSA-N 397.496 4.134 0 1 GIAF Cc1ccccc1-c1nc(COc2ccc(C[C@@H](OC(C)C)C(=O)O)cc2)no1 26404847 LYKNWPZUOIVQJL-LJQANCHMSA-N 396.443 4.045 0 1 GIAF CC(C)[C@@H]1NCCc2ccc(NC(=O)c3ccc4cc(C(=N)N)ccc4c3)cc21 26974275 DARQQJKHXPXSRO-QFIPXVFZSA-N 386.499 4.219 0 1 GIAF in-vivo COc1cccc(OCCCCN2CCN(C)CC2)c1/C=C/c1ccccc1 27716969 SJWQEVWMBMNMRT-BUHFOSPRSA-N 380.532 4.272 0 1 GIAF Cc1cc([C@H](c2ccc(OCc3ccccc3)cc2)N2CCN(C)CC2)sn1 28248922 FDLGIFITIZZEHO-QHCPKHFHSA-N 393.556 4.367 0 1 GIAF COc1ccc([C@H]2CC=CCN([C@H](CN3CCCC3)c3ccccc3)C2=O)cc1 28383883 UUZWUUSCTGUCEH-DNQXCXABSA-N 390.527 4.404 0 1 GIAF COC(=O)/C1=C\CC[C@]2(C)O[C@H]2CC/C(C(=O)OC)=C\C=C(/C(C)C)CC1 35066409 OQZOTIXASJTXOV-BFAFSPSYSA-N 376.493 4.279 0 1 GIAF CC(C)[C@H](COc1ccccc1Sc1cccc(F)c1)N(C)CC(=O)O 40565546 NXJZOIFIPMXMHR-KRWDZBQOSA-N 377.481 4.397 0 1 GIAF O=C1C(N2CCCC2)=NN(c2ccc(Cl)cc2)CN1c1ccccc1Cl 45392768 IKVKEBMXTYFNJL-UHFFFAOYSA-N 389.286 4.213 0 1 GIAF Cn1c(SCCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)nc2ccccc21 66251109 LNJBSKXLJKUWPW-UHFFFAOYSA-N 396.541 4.085 0 1 GIAF Cc1nc(C)n(-c2ccc(Nc3cc(-c4ccn(C)n4)c(Cl)cn3)cc2)n1 71341890 RPLUSWNGTMKDQG-UHFFFAOYSA-N 379.855 4.077 0 1 GIAF CCCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccco1 82142060 SESLQFNGROKHOP-UHFFFAOYSA-N 378.476 4.230 0 1 GIAF COc1ccc(N2C(=O)O/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 84632410 FGRGLFWDLYIXEA-ZSOIEALJSA-N 380.183 4.232 0 1 GIAF N[C@@H](CS[C@](Cc1ccccc1)(c1ccccc1)c1ccc(F)cc1)C(=O)O 84706016 OTLCMKQJGDNWTD-JTHBVZDNSA-N 395.499 4.457 0 1 GIAF COc1ccc(COc2ccc3c(c2)cc2n3CC[C@H]2CC(=O)O)cc1C#N 117785017 CQJMGIUYXGQKNP-HNNXBMFYSA-N 376.412 4.063 0 1 GIAF COc1ccc(Nc2nccc(Oc3cccc4c3C(=O)CC4)n2)c(OC)c1 145986372 XNEGQYSXWYGKQJ-UHFFFAOYSA-N 377.400 4.159 0 1 GIAF C[C@@H]1CCCN1[C@@H]1CC[C@H](c2ccc(N3CCC4(CCC(O)CC4)C3=O)cc2)C1 147075189 IGCTYQJNPOEVBM-YYPPQDCDSA-N 396.575 4.465 0 1 GIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc2oc(C)nc2c1 166730931 AMFCTFSJHGDBQF-QGZVFWFLSA-N 380.444 4.407 0 1 GIAF CN1C(=O)CCc2ccc(NC(=O)N[C@H]3CC[C@@H](c4ccccc4F)C3)cc21 169704970 RTYYAYSQQDQQIF-CVEARBPZSA-N 381.451 4.193 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cccc(F)c3[nH]2)cc1 586948082 DJYWAUXKENQEGE-UHFFFAOYSA-N 381.432 4.478 0 1 GIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc3c(cc2[nH]1)NC(=O)CO3 587066737 QWPQRJMWUVGGIT-UHFFFAOYSA-N 378.819 4.313 0 1 GIAF Cc1cc(-c2nc3c(Cl)cccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125829 SPRGWWSUKSRDSD-UHFFFAOYSA-N 389.786 4.453 0 1 GIAF O=C(O)c1ccc(-c2cc(-c3nc4ccc(CCO)cc4[nH]3)ccc2F)cc1F 587138439 ISUXCMYQIFVHPG-UHFFFAOYSA-N 394.377 4.408 0 1 GIAF CCOC(=O)C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348233 NCYMMBNPQCXRCE-UNMCSNQZSA-N 386.419 4.238 0 1 GIAF CCOC(=O)[C@H](CC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351883 VNLHYWJQRURBKD-LQBOVUBWSA-N 386.419 4.238 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(C)c(Cl)c1)[C@@H](C2)C3=O 587421217 UJOOSVXQSGKSIE-BTYIYWSLSA-N 385.847 4.192 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(F)cc1Br)[C@@H](C2)C3=O 587429039 RTMHAYZDHSVORC-LIRRHRJNSA-N 391.236 4.346 0 1 GIAF COc1cc(NC(C)=O)ccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587513657 TUCIIVRMWARNHF-QHCPKHFHSA-N 379.456 4.413 0 1 GIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1F 587558486 SPFVQBFGSOOTKX-HRAATJIYSA-N 384.334 4.382 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C2CC2)(C(F)(F)F)N1 587706568 QTNAKNAIYOOJAM-ANRSDYALSA-N 394.206 4.249 0 1 GIAF Cc1c(C(F)(F)F)n[nH]c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587718562 IWQRBIDKQLOTDX-IYQDAUBNSA-N 392.194 4.262 0 1 GIAF Cc1cc(C(=O)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587720118 RFCVTXZOTFIMEC-BMLIUANNSA-N 380.232 4.494 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3c(C(=O)O)cccc32)N1 587820112 ABRMJILCZVREQN-DGIBIBHMSA-N 390.252 4.010 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/C(=O)O)(c2ccccc2)N1 587820524 AGFSVCHPYPQMNQ-RBMQAORRSA-N 390.252 4.007 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nc3c(s2)CCC3)N1 587857972 NQMGIDREAJENCU-XYZCENFISA-N 381.314 4.331 0 1 GIAF CCCc1cccc2c(-c3cnc(-c4cnc(C(=O)O)c(OC)c4)s3)n[nH]c12 653782560 DSTOHRSLJZGAHL-UHFFFAOYSA-N 394.456 4.408 0 1 GIAF CCOC(=O)C[C@@]1(C2CCCCC2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962637240 WAIDWLPKNKDPJN-QMHKHESXSA-N 389.536 4.309 0 1 GIAF CCC[C@H](C)[C@]1(c2ccccn2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962981740 WGKFCQYZBPACNL-BGFJZZDESA-N 394.849 4.292 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cccc(-c3cccc(O)c3)c2)N1 963240135 YBLZLNPNEAKEMJ-BJKOFHAPSA-N 396.446 4.296 0 1 GIAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC=CC1 1772636363 FGMXVWFBGMMCLI-UHFFFAOYSA-N 385.345 4.453 0 1 GIAF C[C@@H](C(=O)Nc1ccc(C(=O)Nc2ccc(F)cc2N)cc1)c1ccccc1 1857632018 SCZTZKHHRWDIJY-CQSZACIVSA-N 377.419 4.402 0 1 GIAF C=CC(=O)NCCOc1cccc2[nH]c(-c3n[nH]c4cc(C5CC5)ccc34)cc12 1911585320 BYBOJNJGYJTFQW-UHFFFAOYSA-N 386.455 4.270 0 1 GIAF Cc1nc(-c2ccco2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNCc2ccccc2)n1 2356300740 OCZDHSMOAFGDEB-PCCBWWKXSA-N 388.515 4.013 0 1 GIAF O=S1(=O)N=C(O)c2sc3ccccc3c2N1Cc1ccc(Cl)cc1 27754755 ICQQPKSMFCNCDT-UHFFFAOYSA-N 378.862 4.124 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](Cc1ccc(CN3CCCCC3)cc1)C2 40897930 ZEOMTRPLFHQJKZ-FQEVSTJZSA-N 379.500 4.287 0 1 GIAF Cc1ccc(CSc2nc(CN3CCCc4ccccc43)cc(=O)[nH]2)cc1 72178420 DSUZKOINSZUHOP-UHFFFAOYSA-N 377.513 4.323 0 1 GIAF CCOP(=O)(OCC)[C@H](c1nc2cc(C)c(C)cc2[nH]c1=O)C(F)(F)F 82053255 STAKFPRFRJCNIM-CQSZACIVSA-N 392.314 4.409 0 1 GIAF COc1ccc2c(c1OC)[C@@H]([C@H](C)O)N(C)c1c-2ccc2cc3c(cc12)OCO3 85848953 KGXGGTSECNVCSW-LAJNKCICSA-N 393.439 4.124 0 1 GIAF CNc1nc(CC(F)(F)F)c(-c2ccnc(Nc3cccc(O)c3)n2)s1 95601131 JCPWXGQBEYYLTQ-UHFFFAOYSA-N 381.383 4.196 0 1 GIAF CS(=O)(=O)N(Cc1cccnc1)c1ccc(-c2nc3ccccc3s2)cc1 96937913 GDQAXDHOIGMVAY-UHFFFAOYSA-N 395.509 4.325 0 1 GIAF CN(C)/C=C/NC(=O)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1 101394974 ODAKYRNOKBCGQV-ZHACJKMWSA-N 388.427 4.193 0 1 GIAF COc1ccc(OC)c(/C=C/C2=NN(C(C)=O)[C@H](c3ccc(Cl)cc3)O2)c1 103195785 JWKMOVCTYOPMSG-OJWOGGGRSA-N 386.835 4.261 0 1 GIAF Cc1nc2ccc(C(C)C)nc2n2c(-c3cc(C4(O)CCC4)ccc3F)nnc12 145744725 HNISNVVBMZPQOH-UHFFFAOYSA-N 391.450 4.282 0 1 GIAF N#Cc1cccc(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)c1 167256434 OAIRULYXDXQGGK-UHFFFAOYSA-N 382.423 4.358 0 1 GIAF Cn1c(=O)c2ccc(-c3ccc4cn[nH]c4c3)cc2n2nc(-c3ccccc3)cc12 169350990 QHONKXLBFJJVRB-UHFFFAOYSA-N 391.434 4.397 0 1 GIAF Cc1c(-c2nc3c(F)cnc(Cl)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587074083 QZWAQRLXASJFTQ-UHFFFAOYSA-N 377.210 4.019 0 1 GIAF CC(C)OC(=O)C1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC(F)(F)C1 587130611 NARACXHOFFJVQN-UHFFFAOYSA-N 378.297 4.080 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1I)O2 587387260 PIFJCUNXCLDBKW-HNNXBMFYSA-N 397.187 4.027 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc4ccc(Br)cc4n1C)[C@@H](C2)C3=O 587420423 WOAHLJNQDKPHBK-VBKZILBWSA-N 398.256 4.438 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCc4c(Br)cc(F)cc41)[C@@H](C2)C3=O 587428063 LSPQKMXICMWBKY-LIRRHRJNSA-N 389.220 4.186 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(Br)c1F)CC2=O 587467752 RDRVVGGVRHZKMC-AWEZNQCLSA-N 380.213 4.348 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCOC[C@@H]1OCc1ccccc1)CC2=O 587493604 UNHDIRKQZZZLAV-GMAHTHKFSA-N 382.456 4.054 0 1 GIAF Cc1nn2c(=O)c3ccccc3[nH]c2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523244 HAJFPIXZQGWGPB-HXUWFJFHSA-N 399.450 4.070 0 1 GIAF O=C1C[C@H](c2ccc(N3CCC(O)CC3)s2)Oc2c1ccc1c2CCCC1 587532267 PDKVOZSTJRHIOZ-LJQANCHMSA-N 383.513 4.295 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(N)c(F)c2)N1 587718106 HXICTULDGSQCKI-QPFGOUBPSA-N 385.227 4.246 0 1 GIAF CCOC(=O)C[C@@]1(CC(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792243 BDAXPPJDLCENBC-KZULUSFZSA-N 386.305 4.317 0 1 GIAF CCOC(=O)C[C@]1([C@H](C)CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794810 GUKMYEUGISOGTD-FTLABTOESA-N 386.305 4.317 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2nccs2)N1 587855750 VXHZHCFSNDFLCM-XXFAHNHDSA-N 383.286 4.067 0 1 GIAF COc1ncc(Br)cc1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963099255 JFKNOZDZLFMEPM-GUYCJALGSA-N 377.257 4.102 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1c(C)nc2scc(C3CC3)n12 963579916 JVWNFAAULZLWND-WLRWDXFRSA-N 383.517 4.222 0 1 GIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3c(cccc3OCC3CC3)C2)cc1 1772582999 WGTOPCOZRNJPLI-QGZVFWFLSA-N 378.516 4.231 0 1 GIAF COc1cc(Cl)cc2cc(C(=O)N[C@H](C)c3ccc(C(=O)O)cc3)n(C)c12 1857539200 PSODJMSNWQUOCO-LLVKDONJSA-N 386.835 4.030 0 1 GIAF CC(C)c1ccc(NC(=O)c2c(-c3ccoc3)ncnc2N2CC[C@H](F)C2)cn1 1857618051 PHJIONDJTFISBV-HNNXBMFYSA-N 395.438 4.056 0 1 GIAF Cc1onc(-c2ccccc2)c1-c1ccnc(NCCNC(=O)OC(C)(C)C)n1 1857765633 ZPWOKBLEWJWYLW-UHFFFAOYSA-N 395.463 4.044 0 1 GIAF CC(=O)OCC=C(C)CCC=C(C)[C@H](CC=C(C)COC(C)=O)OC(C)=O 2356773572 CONZVMGKHGPFDE-NRFANRHFSA-N 380.481 4.054 0 1 GIAF CCOC(=O)c1nc(Nc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3 755381 MVRVBQNPTPLDOF-UHFFFAOYSA-N 397.456 4.219 0 1 GIAF CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@H](O)CC)cc1 773515 XHOHEDYSQUMEIW-QGZVFWFLSA-N 398.434 4.047 0 1 GIAF CC(C)(C)c1ccc(-n2cc(C(N)=O)c(=O)c3ccc(-c4ccncc4)cc32)cc1 5834088 REXPVVGELJLBHH-UHFFFAOYSA-N 397.478 4.449 0 1 GIAF CC[C@@H](Sc1nnc(C)n2c1cc1occc12)C(=O)Nc1ccccc1F 6894120 MGWLAJTXBNMTLH-QGZVFWFLSA-N 384.436 4.432 0 1 GIAF O=C(CCCN1CC[C@@](CO)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 13558995 FYCWAZYMRKLMLI-OAQYLSRUSA-N 375.871 4.078 0 1 GIAF Cc1ccc(Nc2ncc(C(=O)N3CCN(C)CC3)c3ccccc23)cc1Cl 20104748 WIVVZFPHMIYKPF-UHFFFAOYSA-N 394.906 4.328 0 1 GIAF O=C(N[C@H](C(=O)O)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 26005321 FCKWIJHXSVVEMN-QFIPXVFZSA-N 382.419 4.458 0 1 GIAF CCCc1c(OCCCCCCCCCc2nnn[nH]2)ccc(C(C)=O)c1O 27728424 UPQSGTPRVZDWTL-UHFFFAOYSA-N 388.512 4.413 0 1 GIAF NC(=O)c1ccc(-c2cnc([C@@H](O)CCc3ccc(-c4ccccc4)cc3)o2)nc1 29135702 FKFBXPZGTOGOKT-NRFANRHFSA-N 399.450 4.169 0 1 GIAF C[C@H](CC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 29135758 QYYDXDSPYPOWRO-AYTZMJRQSA-N 378.553 4.088 0 1 GIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(C(C)=O)c3)cc2)C[C@@H]2CC[C@H]1N2C 29474494 CGGKEMRCMPNIGU-WBADGQHESA-N 377.484 4.296 0 1 GIAF COc1ccc(CC(=O)NCCCCNc2ccnc3cc(Cl)ccc23)cc1 35190629 KKQNBNHDHIKNDB-UHFFFAOYSA-N 397.906 4.448 0 1 GIAF CS(=O)(=O)c1nnc(-c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)o1 40411319 BJTOJKDLOLYUMI-UHFFFAOYSA-N 399.255 4.026 0 1 GIAF CC(C)NS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1 43012293 WLCWEBJKGPIJRI-GOSISDBHSA-N 386.561 4.067 0 1 GIAF CS(=O)(=O)c1ccc(-c2ccc3ncc(-c4cccc(Cl)c4)n3n2)cc1 82082271 AMSBJPHHWOPUDP-UHFFFAOYSA-N 383.860 4.120 0 1 GIAF CN(Cc1ccccc1)c1ncc(-c2ccc(CNC[C@H]3CCCO3)cc2)cn1 84671748 DLAHTKBWOJEKFT-HSZRJFAPSA-N 388.515 4.049 0 1 GIAF O=C(c1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccc(F)cc2)cc1 100106933 FZQVPPYRWIRNRS-JKHIJQBDSA-N 390.433 4.212 0 1 GIAF Cc1[nH]c2c(C(=O)NCCCCCC(=O)Nc3ccccc3N)cccc2c1C 117591538 RZNQYHFANJRYBL-UHFFFAOYSA-N 392.503 4.296 0 1 GIAF CC(C)(O)c1ccc2c(c1)CC[C@H]1[C@@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1 117630966 YSLAMPSLWOPXBU-KNQAVFIVSA-N 389.499 4.125 0 1 GIAF Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 169301295 AEONKHQDKWWIPC-JIWOIOHBSA-N 381.564 4.433 0 1 GIAF CCOC(=O)[C@H]1C(COc2ccc(C)cc2)=NC(=O)N[C@H]1c1cc(C)ccc1C 169689315 ALJSTBWIVVGXTC-SFTDATJTSA-N 394.471 4.075 0 1 GIAF Cc1cc(-c2ccc3c4[nH]ncc4c(=O)n(CC(F)(F)F)c3c2)cnc1Cl 205019542 UHKVBGZWWBCHNC-UHFFFAOYSA-N 392.768 4.464 0 1 GIAF C[C@@]1(c2cc(CNC3(C(F)(F)F)CC3)c(F)cc2F)CCSC(=N)N1 584905685 XKONRMXLBXCJAM-AWEZNQCLSA-N 379.398 4.026 0 1 GIAF in-vitro Cc1nn(Cc2nc3ccc(Br)c(C)c3[nH]2)c(C)c1Br 586978813 ITFHLBUZWWCORJ-UHFFFAOYSA-N 398.102 4.258 0 1 GIAF Clc1ccnc2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 586997866 DLXSZRVPXGDZLH-OWOJBTEDSA-N 378.613 4.273 0 1 GIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cs1 587014608 UUEGABXUVQZHNO-UHFFFAOYSA-N 384.383 4.128 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(CO)cc3[nH]2)c1 587147026 FYZPHROUQKXBEK-UHFFFAOYSA-N 392.386 4.235 0 1 GIAF Fc1ccc(Oc2ccc(-c3nc4ncc[nH]c-4n3)cn2)c(Br)c1 587160986 IBUJAPMETZAQCC-UHFFFAOYSA-N 386.184 4.060 0 1 GIAF C[C@]1(c2cn3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332536 ANLBSSHZGRYBEW-JTHBVZDNSA-N 388.398 4.453 0 1 GIAF COc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587340950 UXHXKGVICGCVCY-RBBKRZOGSA-N 379.387 4.209 0 1 GIAF CC1(C)[C@@H]2C[C@H]1[C@@](C)(O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346822 AJVUKXMVTFSSAH-QOGRHDRKSA-N 396.458 4.446 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1cccnc1N)CC2=O 587469148 WZONBUGXJAGEPN-HSZRJFAPSA-N 392.430 4.370 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587518230 CVOWXWUCGFCWMT-UOUMEPNKSA-N 397.515 4.402 0 1 GIAF COC(=O)[C@@H]1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587524917 NPADGTHZWRFJHY-KOSHJBKYSA-N 376.452 4.477 0 1 GIAF O=C(O)/C=C/C1=COc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587531667 KQBUFHITIFZYNZ-IYNHSRRRSA-N 388.419 4.343 0 1 GIAF COc1ccnc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552333 QHCRXKMYSUGHNI-APWZRJJASA-N 383.787 4.152 0 1 GIAF Cc1ccc(-n2c(C)c(-c3ccc4c(O)nc(O)nc4n3)c3cc(O)ccc32)cc1 587557930 MYIKFNXWXPMLOT-UHFFFAOYSA-N 398.422 4.369 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-n2ccnc2)N1 587753027 HCCVJERZIJOJKK-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@@H]2C1(C)C 587816963 GMEIZAJQKRURFS-PFXVHWJBSA-N 380.301 4.343 0 1 GIAF COc1ccc(-c2cc(O)n(-c3cc(C)n(Cc4ccccc4F)n3)c2O)cc1 587946409 XSECZHUIARQBNP-UHFFFAOYSA-N 393.418 4.256 0 1 GIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2ccsc2)(c2cc(F)cc(F)c2)N1 962896118 KAXBQIIMWTVCLJ-AZUAARDMSA-N 389.398 4.056 0 1 GIAF C[C@@]1(c2ccc(F)cc2N)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949282 FEEFSHLROXGAOQ-LJQANCHMSA-N 394.412 4.342 0 1 GIAF COc1ccc2c(c1)[C@](C)(c1nnn(-c3cccc(Cl)c3)c1C)N[C@H]1CC[C@@H]21 962999678 ZBXPTIQAENGGBH-RCZSKKKRSA-N 394.906 4.350 0 1 GIAF NCCc1ccc([C@@]2(c3ccoc3)c3c(F)cccc3C[C@H]3CCCN32)s1 963115547 VRMHDKLRLLXOMD-VGSWGCGISA-N 382.504 4.294 0 1 GIAF Nc1ncccc1-c1cc(Cc2ccc(OCc3ccccc3F)nc2)no1 1857534565 MMGXAIOFYFIQDL-UHFFFAOYSA-N 376.391 4.023 0 1 GIAF COc1ccc2cc([C@H](C)C(=O)OCCC(=O)NCc3ccccc3)ccc2c1 1857590159 ANFUOXIPFCQZMA-KRWDZBQOSA-N 391.467 4.202 0 1 GIAF COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C=C(C)[C@@H]2C)cc(OC)c1O 2356431686 ATWSXGFADLBZMD-KPZWWZAWSA-N 386.444 4.317 0 1 GIAF COc1cc([C@@H]2c3c(cc4c(c3OC)OCO4)C[C@@H](C)[C@@H]2C)cc2c1OCO2 2356655996 NZWRYANDYKYMPU-FTLABTOESA-N 384.428 4.121 0 1 GIAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356664982 PXHCARRJGFGPAC-MINZZKLUSA-N 390.564 4.398 0 1 GIAF CC1=C[C@H](CN(C)CCc2ccccn2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356836172 KXVHCRYCYMBHEN-KCZVDYSFSA-N 382.552 4.345 0 1 GIAF COc1ccc(NC(=O)[C@]2(C)CCN2Cc2ccc3ccccc3c2)cc1OC 61905478 DPIBSNKYQCYPSJ-DEOSSOPVSA-N 390.483 4.460 0 3 GIAF Cc1cccc(CNC(=O)N[C@H]2CCCCN(Cc3cccc(Cl)c3)C2=O)c1 199357970 UOCABUMUKNHESA-FQEVSTJZSA-N 399.922 4.029 0 3 GIAF COc1ccc2c(c1)[C@H](n1c(C)ccc1C)C(=O)N2Cc1ccc(Cl)nc1 206029040 XAIUNXDZXCUHJH-FQEVSTJZSA-N 381.863 4.298 0 3 GIAF NC(=O)C1(c2cccc(Sc3ccc(Cn4cccc4)cc3)c2)CCOCC1 1485547 VIIMIHGRUTXXBD-UHFFFAOYSA-N 392.524 4.221 0 1 GIAF COc1ccc(Nc2nc3cc(C(F)(F)F)ccc3nc2C(=O)O)cc1OC 1857434 UBDOSWJUPUOBME-UHFFFAOYSA-N 393.321 4.108 0 1 GIAF Cc1ncc([C@@H](CCCCCCc2ccc3c(n2)NCCC3)CC(=O)O)cn1 3962988 NJDBZBVQIMZWPP-SFHVURJKSA-N 382.508 4.290 0 1 GIAF biogenic CN1C(=O)[C@@H](NC(=O)c2cc3ccc(-c4ccccc4)cc3[nH]2)Cc2ccccc21 13587913 YMSYUDDQGKVPSA-QFIPXVFZSA-N 395.462 4.152 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26395890 GNWBLLYJQXKPIP-LDRBJFAESA-N 388.596 4.334 0 1 GIAF Cc1noc(NCc2ccncc2)c1C(=O)Nc1cccc(C(F)(F)F)c1 28890044 WXIOZJSXVMCDEF-UHFFFAOYSA-N 376.338 4.261 0 1 GIAF CC(C)Nc1cc(-c2c(-c3ccc(F)cc3)nn3cc(C(N)=O)ccc23)ccn1 35815938 YNTFMUFUNOGFIB-UHFFFAOYSA-N 389.434 4.122 0 1 GIAF CSc1nc(C)c(C(=O)NCc2ccccc2)c(NCc2ccccc2)n1 53314108 NGTVNQZDOJYPOR-UHFFFAOYSA-N 378.501 4.049 0 1 GIAF COCCn1c(C2CCCCC2)nc2c(NCc3ccccc3C)ncnc21 82180273 MYXYHKILSKOAEP-UHFFFAOYSA-N 379.508 4.441 0 1 GIAF CCCCCNc1ncnc2c1nc(-c1ccoc1)n2CCN1CCCCC1 82186288 BWHWBCNVUSQTJZ-UHFFFAOYSA-N 382.512 4.174 0 1 GIAF COc1cc([C@@H](O)c2c(-c3cc[nH]c3)[nH]c3ccccc23)cc(OC)c1OC 95594625 YIDKQFGMXKRFAQ-OAQYLSRUSA-N 378.428 4.271 0 1 GIAF C[C@H]1C/C=C/C[C@H](c2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)c2ccccc2O1 95665216 AFJZYKXXKFYJLB-OPQXYVSYSA-N 392.499 4.122 0 1 GIAF O=C(c1noc2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 95771616 VOQNIXFKXAKQAF-UHFFFAOYSA-N 397.478 4.375 0 1 GIAF COc1cc2c(cc1OC)CN(CCCOc1ccnc3ccccc13)CC2 96272352 AMQLFHNUPIHNQO-UHFFFAOYSA-N 378.472 4.079 0 1 GIAF CCOC(=O)C[C@]1(c2ccccc2)C(=O)Nc2ccc(-c3c(C)noc3C)cc21 219429755 VXNKPDWKXIGKIQ-HSZRJFAPSA-N 390.439 4.150 0 1 GIAF COC(=O)CC1=C(Cc2ccccc2)C[C@H]2[C@H](Cc3ccccc3)C[C@H]1N2C 253647952 UPUHZXXATZMRQT-YFNKSVMNSA-N 375.512 4.424 0 1 GIAF COc1cc(OC)c(C(=O)Nc2ccc(-c3cccnc3)cc2F)cc1OC 299826375 HAYDYFNDRBBNRE-UHFFFAOYSA-N 382.391 4.166 0 1 GIAF O=C(O)c1ccccc1NC(=O)N1C[C@H]2[C@H](c3ccccc3C(F)(F)F)[C@H]2C1 299826456 FZHCLIBKRSBMCJ-HALDLXJZSA-N 390.361 4.281 0 1 GIAF COc1ccc2c(c1)CC(=O)N2[C@@H](C(=O)Nc1c(C)cccc1C)C(C)(C)C 299855983 BKJCDKWMPSXGCD-NRFANRHFSA-N 380.488 4.255 0 1 GIAF CCC[C@H](C)COc1ccc([C@H](CO)NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 299862481 JRYLJLVWWQBUIH-DWJNZPNVSA-N 381.516 4.455 0 1 GIAF O=S(=O)(c1ccc(Cl)c(-c2nc3cc4ccccc4cc3[nH]2)c1)N1CCC1 586954576 DCFUCMLGPFMREE-UHFFFAOYSA-N 397.887 4.431 0 1 GIAF COC(=O)c1cc2nc(-c3csc(O)n3)[nH]c2c(F)c1Nc1ccccc1 587017764 OWHPXGCGZGGZGP-UHFFFAOYSA-N 384.392 4.061 0 1 GIAF Fc1cc(F)c(-c2nc3cc(Br)cnc3[nH]2)cc1Br 587137692 GORJGWSHNOHPSW-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccnc(OC)c3[nH]2)c1 587147349 NJOMENBMVMEIDT-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O2 587388145 WXJCWDNDGYHQJA-AZUAARDMSA-N 396.487 4.047 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4O[C@H]1c1ccccc1)[C@@H](C2)C3=O 587451853 BUXIUVUAZFSKQD-RIEVBORMSA-N 398.414 4.198 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cncc1Br)CC2=O 587469635 BKEQPPMSQIGSSL-HNNXBMFYSA-N 380.213 4.348 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCOC3=O)cc1)CC2=O 587474914 KYGPDFXTQOAJMK-JOCHJYFZSA-N 381.428 4.182 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587723519 ASUPZBWTQCZQGW-VVVCHXIZSA-N 396.231 4.138 0 1 GIAF COc1cc2c(cc1F)[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587734917 SPRIVNGXDUSLEG-APBUJDDRSA-N 394.259 4.460 0 1 GIAF CCCCc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587776086 WFWDRECUPBFERB-ZMZPIMSZSA-N 378.289 4.344 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H](C(=O)O)C2(C)C)N1 587832552 ZEKKCUNXGPXVEH-CVGOTVLTSA-N 384.289 4.085 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CC2CCC3(CC2)OCCO3)N1 587837568 IPTXXFKVDPCUFX-WBMJQRKESA-N 398.316 4.487 0 1 GIAF CSc1ncc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587848746 XRNJXNUVJMNKOC-XLFHBGCDSA-N 396.329 4.206 0 1 GIAF CC(=O)Nc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587850190 YCQRNCZXWDWVOU-BCTVWOGZSA-N 383.286 4.232 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cc(OC)ccn1 587858917 PLMHCACKCQVURM-UHFFFAOYSA-N 392.242 4.348 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1ccccc1 587862835 YEDHBWPZTBNIIC-UHFFFAOYSA-N 375.350 4.330 0 1 GIAF Cc1nn(C)c2nc(C3CC3)cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c12 587875742 LQMMHTJMEZCJHY-UHFFFAOYSA-N 389.390 3.951 0 1 GIAF CCOc1ccc([C@]2(CCC(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963098729 JBLFMHQJNLVYBW-FDDCHVKYSA-N 383.463 4.353 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1c[nH]nc1-c1cc2ccccc2o1 963637592 SWMBKLXKEVEQOJ-NPMABZOXSA-N 389.455 4.464 0 1 GIAF CC(C)=CC[C@@H]1Cc2cc([C@H]3CC(=O)c4ccc(O)cc4O3)ccc2O[C@H]1O 2356571013 CZCONLMTHFNNBM-YCASGBEESA-N 380.440 4.325 0 1 GIAF COC(=O)c1ccc([C@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]23)cc1 5065052 VLCQZNCIDLUVOZ-MZCHELMPSA-N 377.440 4.468 0 1 GIAF CN1C(=O)c2ccccc2Sc2ccc(NC(=O)COc3ccccc3)cc21 8608043 UHOHKFUNUZVULK-UHFFFAOYSA-N 390.464 4.445 0 1 GIAF CCOCCOC(=O)[C@@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27556059 ULAOQWBWDVCIMV-UAGQMJEPSA-N 376.518 4.465 0 1 GIAF CC(=O)OC/C=C1\CC[C@@H](O)[C@](C)(CCC[C@H](C)C(=O)CC=C(C)C)OC1 27880627 HOQFDBCFVFEXGM-WBVLRSDDSA-N 380.525 4.138 0 1 GIAF CC[C@@H](C(=O)O)[C@@H]1CCc2cc(OCCc3noc(-c4ccccc4)n3)ccc21 28563262 ZQDIFUYLRKDKJY-QUCCMNQESA-N 392.455 4.499 0 1 GIAF c1ccc(CN2CCN(c3ccc([C@H]4CC(c5ccccn5)=NO4)cc3)CC2)cc1 28961981 PSSBMOXBIUCMIG-RUZDIDTESA-N 398.510 4.270 0 1 GIAF O=C(Nc1ccno1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 29126142 GTWUNRANAYJWLX-UHFFFAOYSA-N 379.803 4.152 0 1 GIAF Cc1ccc(C(=O)NC[C@]2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)cc1 45321600 MFSRBEVIEUEEMZ-KRWDZBQOSA-N 398.768 4.398 0 1 GIAF O=C(Nc1ccccc1-n1cccn1)c1cccc2c1S(=O)c1ccccc1-2 45391688 VGHPNKOYGJFNLC-UHFFFAOYSA-N 385.448 4.272 0 1 GIAF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@](C)(C(=O)O)C[C@@]3(C(=O)O)CC[C@H]12 84688512 OVIFKCKGQQCJBB-CYKJOMKPSA-N 394.508 4.118 0 1 GIAF CCOC(=O)c1ncn2c1CN=C(c1ccc(F)cc1)c1cc(Cl)ccc1-2 95552298 NIKDFVAWZUYLBE-UHFFFAOYSA-N 383.810 4.193 0 1 GIAF CC(C)(C)OC(=O)N1CCCCC[C@]12CCCN(c1ncnc3[nH]ccc13)C2 143882225 LZYDYKXGOPKGQG-OAQYLSRUSA-N 385.512 4.108 0 1 GIAF O=C(c1ccc(Oc2ncccc2-c2ccncn2)cc1)c1nc2ccccc2[nH]1 148427532 ZVNHEVABPCTUSH-UHFFFAOYSA-N 393.406 4.438 0 1 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)C4CCCCC4)ncc23)ccn1 219763441 PIBVGSRFVAAEEA-CQSZACIVSA-N 378.480 4.419 0 1 GIAF C[C@@H](Nc1ccc(-n2ccnc2)cc1)C(=O)Nc1ccc(-c2ccccc2)cn1 221265011 XAVWODUOCISUJK-QGZVFWFLSA-N 383.455 4.373 0 1 GIAF Cc1cc2[nH]c([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)nc2c(C)n1 587000886 NCPDCYYOUXIEHF-AWEZNQCLSA-N 384.281 4.061 0 1 GIAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(OCCN(C)C)cc2[nH]1 587065916 FAXFGJKTPFBOTC-UHFFFAOYSA-N 387.911 4.477 0 1 GIAF Clc1cnn(COc2cccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2)c1 587082099 KGFPTSHNYUNZER-UHFFFAOYSA-N 396.834 4.278 0 1 GIAF Fc1cccc(Cn2nnc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)c2Cl)c1 587160319 ATPDVZSZOLCBPO-UHFFFAOYSA-N 397.628 4.364 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H](NC(=O)OCc3ccccc3)C1)O2 587388316 AEJSUXYVMKHLBV-HXOBKFHXSA-N 394.471 4.150 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C=COc4ccc(Br)cc41)[C@@H](C2)C3=O 587417118 IUNCCPCDXITWAI-LIRRHRJNSA-N 385.213 4.007 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1sc(-c4ccc(O)cc4)nc1C)[C@@H](C2)C3=O 587451968 POGZWLISEVZGEW-KSFYIVLOSA-N 393.464 4.496 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(Cc1ccccc1)CC2=O 587481477 MTEPBXVXFIRYNR-HSZRJFAPSA-N 382.456 4.245 0 1 GIAF C[C@]1(CC(=O)Nc2cccnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587499888 NRSUPLQGWQLVBC-OAQYLSRUSA-N 384.863 4.367 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCNc1nc(Cl)ccc12 587551727 IXUKFFHTEYPPEY-UTKZUKDTSA-N 394.814 4.113 0 1 GIAF COc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)n1 587552239 OZOXAPUYLXDRGN-XLIONFOSSA-N 383.787 4.152 0 1 GIAF COc1ccccc1C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600704 PFVDTBRHFDUPED-NZQKXSOJSA-N 376.408 4.364 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC1(CCOCC1)CC2 587608381 KNKIEOAJOXKYIH-IBGZPJMESA-N 380.440 4.463 0 1 GIAF CC(=O)Nc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587616039 YRXUHCYSAWNTEL-FXAWDEMLSA-N 381.409 4.115 0 1 GIAF O=C(c1ccc(F)cc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655499 KHLRRLOZWNZIOT-UHFFFAOYSA-N 398.315 4.308 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)nc2)N1 587712430 APXSLKYREASRQO-GLEZIHRCSA-N 387.199 4.208 0 1 GIAF CCOc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1N 587751391 YFJDWBARXFFTHU-WLRWDXFRSA-N 393.300 4.367 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2nn(C(C)(C)C)cc2O)N1 587762775 FZUIROODOCXMNH-MGNBDDOMSA-N 396.304 4.043 0 1 GIAF N=c1[nH]c2nc(/C=C/c3ccc(OCc4ccccc4)cc3)nc-2c(Cl)[nH]1 587784154 NHZXALMKMBXSRX-DHZHZOJOSA-N 377.835 4.120 0 1 GIAF CCOC(=O)C[C@@]1(CC(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800441 XDHXEFAWEDDHSZ-KZULUSFZSA-N 386.305 4.317 0 1 GIAF COc1cccc(OC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587802208 PZWADSMUUIHZLD-ZMZPIMSZSA-N 380.257 4.251 0 1 GIAF Cc1cc(C(=O)O)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587825678 HVGUDMVWDBZWKJ-BTDLBPIBSA-N 378.241 4.218 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(COC)s1 587861903 XVPCGWDCXXIBBN-UHFFFAOYSA-N 385.276 4.243 0 1 GIAF Nc1nc2cc(-c3ccccc3)ccc2c(=O)n1C[C@H]1C[C@@H](c2ccccc2)CO1 653784999 RNOWCBRECJJYFL-NHCUHLMSSA-N 397.478 4.218 0 1 GIAF COc1ccc2c(c1)c([C@H]1N[C@H](C(=O)O)Cc3cccc(F)c31)cn2C(C)C 962916964 XZMACFVCYUIYJL-GHTZIAJQSA-N 382.435 4.058 0 1 GIAF COc1cc(Br)cc(OC)c1[C@H]1NCCc2cccc(Cl)c21 963392231 ZBNICXOIVMZVBK-KRWDZBQOSA-N 382.685 4.355 0 1 GIAF O=C(NCC(F)F)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772609208 VIJBVQRYBHWGAA-UHFFFAOYSA-N 397.303 4.436 0 1 GIAF CC(C)Nc1ccc2cnn(-c3cncc(-c4ccc(C(=O)O)cc4F)n3)c2c1 1857642072 PLGUCBXOJHSJEN-UHFFFAOYSA-N 391.406 4.140 0 1 GIAF O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccno1)c1ccccc1 4400625 CXTKLHMCUSIVIQ-IBGZPJMESA-N 395.484 4.183 0 3 GIAF O=C(c1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(C(=O)CCc2ccncc2)C1 12435451 QTKDBKKZIHAVJS-QGZVFWFLSA-N 390.405 4.155 0 3 GIAF O=C(Nc1ccc(F)cc1)OCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 203462582 ZJYREPRVDTYUDZ-UHFFFAOYSA-N 394.328 4.233 0 3 GIAF CC(C)N(C[C@@H](O)COc1ccc(C(=O)CCc2ccccc2)cc1)C(C)C 13529216 ROPGZQQRTXTXRG-JOCHJYFZSA-N 383.532 4.361 0 1 GIAF CC(C)c1occc1S(=O)(=O)c1ccc(OCCCNC(C)(C)C)cc1 13827207 HNDRRVMJIJNNNR-UHFFFAOYSA-N 379.522 4.393 0 1 GIAF N[C@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@@H]1c1cc(F)c(F)cc1Cl 14958725 QWUWSZCVPDEKJJ-WBMJQRKESA-N 392.862 4.068 0 1 GIAF C[C@@H](c1ccc(Cl)cc1)N1CCC2(CC1)C(=O)NCN2c1ccc([N+]#N)cc1 26499405 UAVZMUHWDQZXRS-HNNXBMFYSA-O 396.902 4.314 0 1 GIAF CCOc1ccc(-n2c(C)c3c(C)nnc(N4C[C@@H](C)O[C@H](C)C4)c3c2C)cc1 28568143 MKQOBUSLJOMKNU-HUUCEWRRSA-N 394.519 4.358 0 1 GIAF C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c(Cl)c1 28820565 XLEUFSHNHMJSFP-LLVKDONJSA-N 383.300 4.384 0 1 GIAF Cc1ccn2ncnc(Oc3ccc(NC(=O)c4ccccc4F)cc3F)c12 29040556 JXKVGKILBZAJFI-UHFFFAOYSA-N 380.354 4.361 0 1 GIAF COc1ccc([C@@H]2[C@@H]([C@@H](O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 29569649 JBUUXMRKJQWOHR-RBZQAINGSA-N 387.479 4.393 0 1 GIAF CCn1ccc2cc([C@@H](OC(C)=O)c3cc(OC)c(OC)c(OC)c3)ccc21 42888561 MEMRSTRQTHEYNQ-OAQYLSRUSA-N 383.444 4.340 0 1 GIAF CCCc1cc(N2CCC(N3CCCC3)CC2)nc(Nc2ccc(OC)cc2)n1 45194287 OYMWTNLHBNBNRD-UHFFFAOYSA-N 395.551 4.246 0 1 GIAF COC(=O)c1oc2cccc(Cl)c2c1NC(=O)CCSc1ccccn1 59255775 JGAQUIRVUFAAKA-UHFFFAOYSA-N 390.848 4.389 0 1 GIAF C[C@@H]1CC[C@@H]2[C@@]3(C)COC(C)(C)O[C@H]3CC[C@@]2(C)[C@]12CC[C@@]1(COC(=O)C1)O2 82077836 MFCIMOFKLLMGJA-APXZJMAWSA-N 392.536 4.225 0 1 GIAF CC(C)Cc1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1C[C@@H]1CCCO1 82188500 NMFQMHPOMGEXSH-MJGOQNOKSA-N 393.535 4.419 0 1 GIAF O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 95893761 SULGBIVQAKFELB-VJBWXMMDSA-N 391.515 4.058 0 1 GIAF O=C(O)CC[C@]1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1 100364067 GQPUZHMMQSRHCL-JOCHJYFZSA-N 398.480 4.439 0 1 GIAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 101706392 PCUQHNTZXLPGNX-DMPNSMEDSA-N 381.564 4.433 0 1 GIAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1Cl)c1ccco1 103192513 IGJVRBVNSZKAES-HNNXBMFYSA-N 392.703 4.179 0 1 GIAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccncc2)n1 118609949 KDRVJTCZWMDLCY-LJQANCHMSA-N 379.485 4.338 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@@H](C)C(=O)N1Cc1ccc2c(ccn2C)c1 167581352 DCXJWQSSOWSEHV-DNVCBOLYSA-N 378.472 4.305 0 1 GIAF CCOC(=O)C1=C(c2cccc(F)c2)N=C(C)[C@H](C(=O)SCC)[C@H]1CC 169721234 AVLRLVTVFLQJOA-CVEARBPZSA-N 377.481 4.497 0 1 GIAF CC(C)[C@H]1[C@H]2OC(C)(C)O[C@H]2[C@@H]2[C@H]3OCC4=C3[C@@](C)(CC[C@@H]4O)CC[C@@]21C 202800980 ZAFBDBZIQHIUHT-GFEDBVBQSA-N 376.537 4.065 0 1 GIAF C/C=C(/C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)[C@@H](C(C)C)C[C@@H]2[C@]1(C)OC(C)=O 238747603 LFIIODXYFFPSFW-QIQVPXFTSA-N 378.509 4.238 0 1 GIAF O=[S@@](CCCc1nc2ccc(Cl)nc2[nH]1)c1ccc(Br)cc1 586959190 JJAVXUQHIWJLAN-QFIPXVFZSA-N 398.713 4.114 0 1 GIAF Clc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cn1 587018821 PSCBHANQBBWLEE-UHFFFAOYSA-N 384.848 4.097 0 1 GIAF Cc1csc([C@](O)(Cc2nc3ccc4c(c3[nH]2)CCCC4)C(F)(F)F)n1 587094401 RHIIWRGASYKHDF-QGZVFWFLSA-N 381.423 4.199 0 1 GIAF C[C@@]1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)C=C(c2ccccc2F)NO1 587153881 BAWSFBGCNLGXMG-KRWDZBQOSA-N 379.313 4.392 0 1 GIAF C[C@H](Cc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1)N(C)C 587192226 SFHQEHYINWNKDI-GFCCVEGCSA-N 390.409 4.327 0 1 GIAF CSc1nccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587379336 XYPHURPNLFGHAQ-NQIIRXRSSA-N 396.443 4.318 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C=O)cc4)cc1O)[C@@H](C2)C3=O 587448255 BRHMLLOZYGFIIA-CYFREDJKSA-N 386.403 4.369 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(Cc3ccccc3)C[C@@H]1F)CC2=O 587471140 JBVCAKNVMNQPOR-GMAHTHKFSA-N 383.463 4.293 0 1 GIAF CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514373 WTXOHBLTVGOXMM-DEOSSOPVSA-N 393.483 4.055 0 1 GIAF O=C(O)c1cccc2c(CN3CCOCC3)c(-c3cc4ccccc4o3)[nH]c12 587639539 ZCCLPZUZRGRYQW-UHFFFAOYSA-N 376.412 4.112 0 1 GIAF CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(N)cc2O1 587746319 MKJPCZILHNCQLG-GIGQVBGESA-N 389.268 4.244 0 1 GIAF C[C@H](NC(=O)OC(C)(C)C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587750665 UVNYKHCAPJXYCN-FTGAXOIBSA-N 387.293 4.077 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2/C=C/C(=O)O)N1 587829612 RMVORNMNABDOEC-AOOQMHFFSA-N 390.252 4.310 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccc(F)cc1 587861551 UNYAHURFHSAMSY-UHFFFAOYSA-N 394.324 4.436 0 1 GIAF O=C(O)Cc1ccc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 587961472 KWVGQOVEHNUIQS-UHFFFAOYSA-N 379.641 4.197 0 1 GIAF Fc1ccc(F)c([C@@]2(CC3OCCO3)c3c(F)cccc3C[C@H]3CCCN32)c1 963116325 WLZXJHUHEJQJMO-ZHRRBRCNSA-N 389.417 4.131 0 1 GIAF CN(C)c1cccc(-c2cnc3cnc(-c4cnn(Cc5ccccc5)c4)cn23)c1 1857594498 CJFMJSCYBBYZFS-UHFFFAOYSA-N 394.482 4.374 0 1 GIAF COc1cc2c(cc1OC)-c1n[nH]c(/C=C3\C(=O)Nc4cc(Cl)ccc43)c1C2 1857774287 LOHKCAZKQKXXGG-ZSOIEALJSA-N 393.830 4.144 0 1 GIAF C[C@@H]1CO[C@@H]2c3c(O)cc4scnc4c3C[C@@H]3[C@@H](C(=O)O)CC[C@H]4[C@H]1CC[C@]243 2356759251 VUPURRJSLQKYJL-SRHLMZLBSA-N 399.512 4.389 0 1 GIAF COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C 12480213 LKZMFYASDQCJMQ-GOEBONIOSA-N 384.501 4.183 0 3 GIAF Cc1ccccc1C[C@]1(CO)CCCN(C(=O)c2cc(-c3ccccc3)no2)C1 13596662 AEBIUOGVKXTRFJ-XMMPIXPASA-N 390.483 4.107 0 3 GIAF CCCCNC(=O)O[C@H]1C[C@@H]2CCN3C(=O)CCC[C@@H]([C@H]23)[C@H]1Cc1ccccc1 15937336 IUGKEEXQKGSPEG-SALXWAHTSA-N 398.547 4.161 0 3 GIAF CN[C@H]1C[C@H]2c3[nH]c4ccc(-c5cccc(C)c5)cc4c3CCN2C[C@H]1[C@H](C)O 61924223 MVXUIZXASRSUPU-DFQATESRSA-N 389.543 4.031 0 3 GIAF CCCCc1ncc(/C=C(\Cc2cnc[nH]2)C(=O)O)n1Cc1ccccc1Cl 13728179 GCTPRZLUGGFEBL-MHWRWJLKSA-N 398.894 4.361 0 1 GIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@@H]1c1cccnc1 26579038 COCMDKLCGPHEHY-HXTJDARSSA-N 392.455 4.420 0 1 GIAF CCOC(=O)N1CCN(C2=Nc3cc(F)ccc3Nc3sc(C)cc32)CC1 27997144 SFRIJYMRFPEPMU-UHFFFAOYSA-N 388.468 4.105 0 1 GIAF Cc1cc(Cl)nnc1N1CCN(C(=O)Nc2ccc(C(C)(C)C)cc2)CC1 28397848 FVIXHIKHIASKHU-UHFFFAOYSA-N 387.915 4.090 0 1 GIAF Cc1nnc([S@](=O)c2nc3cc(Cl)c(Cl)cc3nc2C(C)C)s1 28950919 ILPPTKOCXQWZDU-QHCPKHFHSA-N 387.317 4.387 0 1 GIAF COc1ccc(-c2nc3n(c2-c2ccc(OC)c(OC)c2)CCS3)cc1OC 40503991 WGMTWBOSVSVFKN-UHFFFAOYSA-N 398.484 4.357 0 1 GIAF O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1 42920677 NAAVWXMUUSRPCW-UHFFFAOYSA-N 376.287 4.251 0 1 GIAF CCCNC(=O)c1cc2c(nc(C)n2C)c2c1CC[C@@H](c1ccccc1C)O2 49088912 CPLNCOFHHCKRHJ-FQEVSTJZSA-N 377.488 4.396 0 1 GIAF Brc1ccc(-c2cc3c(ncn4ncnc34)n2-c2ccccc2)cc1 64448635 ANGDAYYSHOEIPO-UHFFFAOYSA-N 390.244 4.498 0 1 GIAF COc1ccc([C@@H]2c3ccc4ccccc4c3O[C@@H]3N=C(S)NC(=N)[C@@H]32)cc1 64448797 KYSIWMFCTDITTB-LQWHRVPQSA-N 389.480 4.181 0 1 GIAF Cc1ccc(/C=C/c2ccc(/C=C3\SC(=O)N(CC(=O)O)C3=O)cc2)cc1 72175123 ODQUCWBIUHENKK-CMPYXSCOSA-N 379.437 4.286 0 1 GIAF CC[C@H](C)Cn1c(-c2ccc(O)c(OC)c2)nc2c(NCC3CC3)ncnc21 82180001 XEHKAQNJIYWIEZ-ZDUSSCGKSA-N 381.480 4.076 0 1 GIAF Cc1cccc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@@H]3C2)n1 116826381 OFVUGECFZLTJIE-ROUUACIJSA-N 389.524 4.327 0 1 GIAF Cc1cc(F)cc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)c1 142582257 COEDURJXPLEFMZ-RUDMXATFSA-N 396.443 4.014 0 1 GIAF O=S(=O)(c1cccc(Cl)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3 143471063 VAXLYNIOQZROMO-UHFFFAOYSA-N 382.268 4.218 0 1 GIAF C[C@]12CC[C@@]3(CO3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 299846913 KLVVFTGBOLOQST-MQQAHJAASA-N 386.532 4.012 0 1 GIAF NC(CO)(CO)CCCCCCCCCCc1c(F)c(F)c(F)c(F)c1F 473154599 IZASIIBZXWGVMI-UHFFFAOYSA-N 397.428 4.118 0 1 GIAF N[C@@H](c1ccsc1)c1nc2cc(Br)c(Br)cc2[nH]1 587026459 XRKAMJHPHVSFLI-NSHDSACASA-N 387.100 4.198 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(CCCC(=O)c3ccc(Cl)cn3)nc2c1 587082542 RRBYLCMJYOFZQH-UHFFFAOYSA-N 392.242 4.257 0 1 GIAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cnccc4[nH]3)nc2n1 587114459 AESNSVNCVGMBSO-UHFFFAOYSA-N 392.410 4.424 0 1 GIAF Cc1cc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2cc1Cl 587260179 SHISVPPOVCJKSA-INIZCTEOSA-N 386.883 4.231 0 1 GIAF CC[C@]1(C2(C(=O)OC)CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587345911 ADCMOSRRABAXFB-CVDCTZTESA-N 398.430 4.382 0 1 GIAF C[C@]1(CC2(C(=O)O)CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352612 MUXIQCQZRDESOB-WIYYLYMNSA-N 384.403 4.294 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1cccnc1)(c1ccc(F)c(F)c1)[C@@H](C2)C3=O 587425496 DJAWBYPESVLETI-KSFYIVLOSA-N 379.362 4.060 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4N[C@H]1c1ccccc1)[C@@H](C2)C3=O 587440722 QCYARLARYOYWMM-WYRQLCSISA-N 397.430 4.231 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cncc(Br)c1 587539947 GLZOEEYACUJSOP-LPHOPBHVSA-N 398.212 4.253 0 1 GIAF C[C@]1(CC(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575470 BZQMHAPYUZGMCH-NFBKMPQASA-N 389.407 4.141 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CC1CCC2(CC1)OCCO2 587607136 GGOMBSHQWSBCHC-VQTJNVASSA-N 396.439 4.046 0 1 GIAF COc1ccnc(Cl)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587702758 FGAOZWFHMHGAJL-ANRSDYALSA-N 385.664 4.269 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3ccccc3n2)N1 587779447 SKSIOJOYYNRAII-JEOXALJRSA-N 386.268 4.329 0 1 GIAF C=C1C=C(C)n2ncc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2N1 587795537 PAEIVZDVWLUIER-DYZYQPBXSA-N 389.272 4.208 0 1 GIAF CCS(=O)(=O)c1ccc2nc(C3(c4cccc(OC)c4)CCCC3)[nH]c2c1 587933782 VGUJCYFXTZZGEP-UHFFFAOYSA-N 384.501 4.225 0 1 GIAF COc1ccccc1-c1cc(O)n(NCc2ccccc2Br)c1O 587940005 IEJDWQSJYIKIJI-UHFFFAOYSA-N 389.249 4.081 0 1 GIAF COc1cccc(OC)c1[C@@]1(c2cnccc2C)NCCc2ccc(F)c(C)c21 962294212 AXTNOBJALXWSFC-DEOSSOPVSA-N 392.474 4.292 0 1 GIAF COc1ccc(-c2c[nH]nc2[C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962616494 AERZDXGNRPOPRC-FPTDNZKUSA-N 393.487 4.068 0 1 GIAF COC(=O)CCCCN1C(=O)[C@H](C(C)C)N=C(c2ccccc2)c2ccccc21 1772576586 HMMNTFZFLXHAFY-QFIPXVFZSA-N 392.499 4.239 0 1 GIAF Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)CCc2ccncc2)cc1 11821373 IRBCCGZFSSXNPN-NRFANRHFSA-N 388.515 4.338 0 3 GIAF COc1ccccc1C(=O)Nc1ccnn1C1CCN(C[C@H]2CC=CCC2)CC1 11933496 KZDWVNUTRYYBGK-SFHVURJKSA-N 394.519 4.137 0 3 GIAF CC[C@H](CO)Oc1cc(NC(=O)c2ccc(OC)cc2)c2ncn(C(C)C)c2c1 61949028 HPNYNVKWSWPNND-MRXNPFEDSA-N 397.475 4.028 0 3 GIAF COC(=O)[C@@H](CC(C)C)C[P@@](=O)(OC)[C@@H](C)NC(=O)OCc1ccccc1 148027369 ADMFGFFSDSSSIT-KDGKORCUSA-N 399.424 4.019 0 3 GIAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccccc1 774018 UFVXXZQCJLYHDG-KXBFYZLASA-N 394.471 4.154 0 1 GIAF CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F 4211882 DOJBUIVCLZKHJK-DOTOQJQBSA-N 381.234 4.313 0 1 GIAF C[C@@H]1CCC[C@@H](NC(=O)[C@H]2c3ccccc3C(=O)N2Cc2cccs2)[C@@H]1C 13144256 GBUAIQSYTFUVOO-PBGAUENZSA-N 382.529 4.386 0 1 GIAF CN(CC1CC1)[C@@H](c1cccc(O)c1)C(C)(C)C(=O)NCCc1ccccc1 13917993 TXHVBWLEQSUJHP-QFIPXVFZSA-N 380.532 4.160 0 1 GIAF CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c2c([C@H](O)CC)cc(=O)oc12 14586068 LVYGPLHUPURZDF-SWLSCSKDSA-N 388.460 4.385 0 1 GIAF biogenic COC(=O)C1=C(C)CC2=C(C(=O)OC2)[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1 28116946 WMQUFXJLJGXXJD-CQSZACIVSA-N 386.753 4.189 0 1 GIAF in-vitro COc1cccc(SC[C@@H](C)CN[C@@H]2COc3ccccc3SC2)c1O 34230054 CFGOROLVNZALOQ-LSDHHAIUSA-N 391.558 4.272 0 1 GIAF CCCCN(C(=O)CCC)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 36184806 NWSOJDZATBDOSA-UHFFFAOYSA-N 392.365 4.389 0 1 GIAF COc1ccc(NC(=O)C2CCN(c3ncnc4ccccc34)CC2)cc1Cl 41506236 JFQVYIOQQNRVGZ-UHFFFAOYSA-N 396.878 4.147 0 1 GIAF CC(C)n1cc(NC(=O)c2cnn3cccnc23)c(-c2cccc(Cl)c2)n1 95573831 VWALRDJXAAKPSP-UHFFFAOYSA-N 380.839 4.079 0 1 GIAF COc1ccc([C@H](Cc2cccc(Br)c2)c2cn(C)c(N)n2)cc1 96168395 WMWMOBHMDLLMAB-KRWDZBQOSA-N 386.293 4.148 0 1 GIAF CCCCc1cc(C(C)=O)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 103263470 QFMHVUYDJYGDOI-UHFFFAOYSA-N 388.512 4.368 0 1 GIAF Fc1cccnc1-c1ccc2cnc(Nc3cnccc3N3CCCCC3)n2n1 142895907 GEVGWWUJGMQFRW-UHFFFAOYSA-N 389.438 4.059 0 1 GIAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2cccc(OC)c2)cc1 169350696 WZOWKFNPGXEKBJ-GLCNDLTRSA-N 389.495 4.401 0 1 GIAF CN1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1 226097113 WDCOASTUUMLOIP-UHFFFAOYSA-N 398.514 4.441 0 1 GIAF O=C(O)c1ccc(CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)cc1 299839479 YFGLMNOQMZNHTE-UHFFFAOYSA-N 382.416 4.464 0 1 GIAF Cc1cc(Br)c2[nH]c([C@H]3CSCN3C(=O)C(C)(C)C)nc2c1 587042177 IZLBFYWEBICTMZ-GFCCVEGCSA-N 382.327 4.254 0 1 GIAF O=C1CCc2cc3nc(-c4cccc(OCn5cc(Cl)cn5)c4)[nH]c3cc2N1 587081529 BOMQIMIXUWQIMS-UHFFFAOYSA-N 393.834 4.001 0 1 GIAF FC(F)(F)Oc1ccc2c(-c3nc4cc5c(cc4[nH]3)OCCCO5)n[nH]c2c1 587127349 QTVRESOWWGWQCU-UHFFFAOYSA-N 390.321 4.166 0 1 GIAF CN(C)C(=O)c1ccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2c1 587241992 KXWHWKXQXPHTKV-UHFFFAOYSA-N 378.476 4.306 0 1 GIAF COC(=O)c1ccc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2c1OC 587242769 ZKCKCTXDPBQDTK-UHFFFAOYSA-N 395.459 4.400 0 1 GIAF O=C1c2ccc(O)cc2OC2(CCN(CC3CC3)CC2)[C@@H]1c1ccc(F)cc1 587347926 VUAWTGRGQPXJFP-OAQYLSRUSA-N 381.447 4.135 0 1 GIAF C[C@@H]1C[C@H](C(=O)O)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354741 RFUQGYQRRMCHCE-YBHULAIRSA-N 384.403 4.150 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)[nH]c(=N)n1-c1ccccc1)CC2=O 587459642 FBURUDDDOZTDJD-QGZVFWFLSA-N 397.862 4.303 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCN(CCc3ccccc3)CC1)CC2=O 587475987 NYDGXMNHNVEZLR-UHFFFAOYSA-N 379.500 4.387 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCN(C1CCCC1)CC2 587581695 JBKYEFBDHWTUDB-HXUWFJFHSA-N 379.456 4.131 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)[nH]2)N1 587680317 IKGVMBXTECXHIY-UOWDBTKRSA-N 388.078 4.302 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(Cl)cc2)N1 587696808 FQWQRDJIZXIXJN-QGHHPUGFSA-N 384.676 4.012 0 1 GIAF COC(=O)c1csc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587844856 CEYFXQIZSIBCQX-GLEZIHRCSA-N 384.270 4.060 0 1 GIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C)cc(Br)c3[nH]2)cc1 587937202 OIHOPJAULGEMTO-DIFFPNOSSA-N 375.266 4.480 0 1 GIAF COc1c(Cc2ccccc2)cc(O)n1NCc1ccccc1Br 587939442 CYTWBGSQUDSIJF-UHFFFAOYSA-N 387.277 4.299 0 1 GIAF Cc1cc(-n2c(O)ccc2OCCc2ccccc2)nn1Cc1ccccc1F 587946395 XJVKVIFOVMTYLY-UHFFFAOYSA-N 391.446 4.497 0 1 GIAF COc1ccc(N(C)c2nc(NCC3CCOCC3)c3ccccc3n2)cc1 653837636 HUZKIRAWCBJPAF-UHFFFAOYSA-N 378.476 4.245 0 1 GIAF CCOC(=O)C[C@@]1(c2cc(CC)ccc2OC)NCCc2c1sc(C)c2C 963034413 YTCOSRNRTWPPEY-QFIPXVFZSA-N 387.545 4.278 0 1 GIAF COc1ccc2c([C@H]3NCCc4c(C)ccnc43)cn(C(=O)OC(C)(C)C)c2c1 963085802 HPZLAJQOWTVIIL-OAQYLSRUSA-N 393.487 4.372 0 1 GIAF CCOC(=O)COc1ccccc1[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963113040 YUEGBTVNJIKVRT-MBSDFSHPSA-N 383.463 4.052 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@]2(C1)NCCc1c(Cl)cc(Cl)cc12 963116016 BNZWIRJTLXOADW-SZEPBZDZSA-N 383.319 4.221 0 1 GIAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC(=O)[C@H]12 2356529634 NTLOERPHSXBROY-VFYBMPPASA-N 384.516 4.306 0 1 GIAF CC(=CCc1cc(C(=O)O)ccc1O)CCC=C(C)CC[C@@H](O)[C@@H](C)C(=O)O 2356718210 NTUPPVZJNOAYQQ-VQIMIIECSA-N 390.476 4.168 0 1 GIAF CCN(CC)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1 5025895 WHWPOSROHWRQBH-UHFFFAOYSA-N 390.940 4.027 0 3 GIAF aggregator CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl 769261 BURFYDAJPFCHAP-WBVHZDCISA-N 381.234 4.313 0 1 GIAF CN(C)c1ccc(C2=NOC[C@]2(C)C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 769656 SFKZBMGZTLIOFF-DEOSSOPVSA-N 393.531 4.107 0 1 GIAF C[C@@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2Cc3ccccc3C2=O)cc1 12355126 OUFGAEIXDBKNPC-CQSZACIVSA-N 386.455 4.190 0 1 GIAF O=C(O)COc1cccc(CCc2nnc(-c3ccccc3)n2-c2ccccc2)c1 13727506 OKGUWOIQFRWNKF-UHFFFAOYSA-N 399.450 4.183 0 1 GIAF CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2cccnc2C(=O)O)cc1 13739756 XEXBAXHFOYXHQY-UHFFFAOYSA-N 399.878 4.180 0 1 GIAF CCCCc1nc2c(c3c1C[C@H](C)OC3)CN(C(=O)Cc1cccs1)CC2 13817461 NJRRREVXHPZYFM-HNNXBMFYSA-N 384.545 4.074 0 1 GIAF Cc1noc(NS(=O)(=O)c2ccc(-c3ccccc3)s2)c1Br 26579417 WJYHCMUTAFRGIX-UHFFFAOYSA-N 399.291 4.275 0 1 GIAF O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2Cl)cc1)c1ccncc1F 26748666 VDSUIIKXKKAURC-UHFFFAOYSA-N 384.720 4.331 0 1 GIAF Nc1sc2c(c1C(=O)c1cccc(I)c1)CCCC2 27185433 MMPDSERUNLABKE-UHFFFAOYSA-N 383.254 4.045 0 1 GIAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N(CC)CCN(C)C)cc1 28762699 MDHKYXCZLYWXMY-QHCPKHFHSA-N 381.564 4.142 0 1 GIAF CC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3n2)CC1 35997044 XVNKWTFQCBSBQN-UHFFFAOYSA-N 395.547 4.362 0 1 GIAF O=C(c1cccs1)N1CCc2c(cccc2OCCCN2CCCCC2)C1 40565321 OQIFAVNEEVCNIP-UHFFFAOYSA-N 384.545 4.201 0 1 GIAF CNc1noc2c(-c3ccc4c(N5CCOC[C@@H]5C)nncc4c3)c(C)ccc12 40952654 RXQPWAXTLUQACC-AWEZNQCLSA-N 389.459 4.013 0 1 GIAF CCOC(=O)c1ccc2c(c1)c1ccccc1n2CCCN1C[C@H](C)N[C@H](C)C1 73168499 OLMQTOGVUOQEDF-HDICACEKSA-N 393.531 4.044 0 1 GIAF COc1ccccc1-c1ccc([C@H]2[C@H]3CN(Cc4cccc(F)c4)C[C@@H]2N3)cc1 100109288 KQECXYVMHINSBB-FVRPBGSPSA-N 388.486 4.441 0 1 GIAF O=C(Nc1ccccc1)N[C@H]1C=C(C(=O)O)Nc2cc(Cl)cc(Cl)c21 100799748 TVWSSHKXANCLHN-ZDUSSCGKSA-N 378.215 4.250 0 1 GIAF CN(C)CCC[C@@H](O)[C@@]12CCC[C@@H]3C[C@@](OCc4ccccc4)(CC[C@]31C)O2 100806313 XMSDBHLEKDPJQE-RMRNXIRCSA-N 387.564 4.362 0 1 GIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 104075678 XBQVKIPMINCVSM-UZLBHIALSA-N 396.487 4.248 0 1 GIAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(OCc2cc(-c3ccccc3)no2)n1 117119362 FWICFSNCRPMABI-UHFFFAOYSA-N 388.431 4.363 0 1 GIAF Cc1ccc(C(=O)Oc2cccc(/C=C3\N=C4SCCCCN4C3=O)c2)cc1 169324355 OKBNPTSVHSNLFJ-RGEXLXHISA-N 392.480 4.280 0 1 GIAF CCO[P@@](=O)(CC)c1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1 169346822 JAOYQONKKWYRTM-MHZLTWQESA-N 382.404 4.429 0 1 GIAF Cc1nc(-c2cccc(CN(C)C(=O)OC(C(F)(F)F)C(F)(F)F)c2)no1 205116390 KURBQAQJRCDUTM-UHFFFAOYSA-N 397.275 4.107 0 1 GIAF C[C@@H](NC(=O)Nc1cc2n[nH]c([C@@]3(C)CC3(F)F)c2cn1)c1ccc(F)cc1 205434165 KUWIETUZERDPLZ-MLCYQJTMSA-N 389.381 4.276 0 1 GIAF O=c1[nH]c2ccc(-c3cc(C(F)(F)F)c4c(-c5ccccc5)[nH]nc4n3)cc2[nH]1 221944661 FTWVWJYCEISJLS-UHFFFAOYSA-N 395.344 4.480 0 1 GIAF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)[C@H](C)[C@H](O)c4ccccc4)[C@H]3C[C@@H]12 299883563 RNTVEMBMXUXGLJ-NUHBFABXSA-N 397.559 4.355 0 1 GIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2c(Br)ccnc2[nH]1 587078764 BAFSZWVLBIWAJJ-GFCCVEGCSA-N 390.672 4.098 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2([C@@H]1c1ccc(F)cc1)[C@H]1CCO[C@H]1C21CCC1 587355173 CPGQLYZFDJXXBV-ICGULJKJSA-N 380.415 4.218 0 1 GIAF CC[C@@]1(c2c(C)n(CC(=O)O)c3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587389876 KOLWNVVHWHVBHL-QHCPKHFHSA-N 392.455 4.196 0 1 GIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1F 587558492 SPFVQBFGSOOTKX-KKSFZXQISA-N 384.334 4.382 0 1 GIAF COc1cc(F)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569525 QTKNHTYFFWDUKS-DENIHFKCSA-N 380.371 4.417 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ncc[nH]1 587591378 VLZGUIYEDQSOMR-XXBNENTESA-N 384.391 4.021 0 1 GIAF Cc1cc(Cl)ccc1O[C@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652201 XVPXTHXQOASQBO-LLVKDONJSA-N 377.227 4.119 0 1 GIAF O=C(COc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657372 ZOAWGBOOARHYOM-UHFFFAOYSA-N 392.361 4.061 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCNC(=O)OC(C)(C)C)N1 587755824 PIVIWHATAUOMDR-ZUZCIYMTSA-N 387.293 4.078 0 1 GIAF COC(=O)c1sccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587843689 JNIJNYVIFZRBKH-RTHLEPHNSA-N 384.270 4.060 0 1 GIAF COc1ccc(/C=C\Cc2nc3c(C)c(Br)cnc3[nH]2)c(OC)c1 587929752 PQXALGSJACMGSZ-PLNGDYQASA-N 388.265 4.302 0 1 GIAF COc1cccc([C@@]2([C@H]3CC[C@@H](C(=O)O)C3)NCCc3cc(C)c(F)cc32)c1 962300536 PPPPWNUTAGZEOV-QSAZIKIQSA-N 383.463 4.033 0 1 GIAF COc1ccc(-c2c[nH]nc2[C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962616506 AERZDXGNRPOPRC-PEBXRYMYSA-N 393.487 4.068 0 1 GIAF COc1cc2c(cc1OC)[C@](CNC1CCCC1)(c1ccccc1)N(C)[C@@H](C)C2 962637426 WUWUTFBYSOYCDM-BVZFJXPGSA-N 394.559 4.356 0 1 GIAF Cc1occc1[C@@]1(Cc2ccccc2Cl)N[C@H](C(=O)O)Cc2cc(F)ccc21 962765761 NGGFLAJEDCBBJN-RBBKRZOGSA-N 399.849 4.466 0 1 GIAF Fc1ccc2nc(Cl)c(Cn3nnc(CSc4ccccc4)n3)cc2c1 1772586223 RLASJFUSYDQSDP-UHFFFAOYSA-N 385.855 4.354 0 1 GIAF O=C(c1ccc(F)cc1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 1772624827 VKQHUBNARZWDMS-SFHVURJKSA-N 386.373 4.303 0 1 GIAF CN(C)[C@H]1CN(Cc2c(F)cccc2Br)C[C@@H]1c1ccccc1 1772650333 CEZCTOGNCCZCIM-BEFAXECRSA-N 377.301 4.118 0 1 GIAF COc1cc2c(cc1Cl)cc(C(=O)N[C@H](C)c1ccc(C(=O)O)cc1)n2C 1857565515 XARNOSORIJTGOS-LLVKDONJSA-N 386.835 4.030 0 1 GIAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@@H]2[C@@]23C=CCC[C@@H]2[C@@]1(C(=O)CCC)OC3=O 2356780028 IRKACHWWOSXIEC-SIRDCNGBSA-N 396.483 4.181 0 1 GIAF CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3cn4ccccc4n3)CC2)cc1 201465550 YJVVRLJZFBOANA-UHFFFAOYSA-N 397.544 4.200 0 3 GIAF CC(C)(C)c1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 13673880 BUBRUGRTGCDHOJ-UHFFFAOYSA-N 391.471 4.218 0 1 GIAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC(=O)[C@H]12 27632657 NTLOERPHSXBROY-LWWORPGNSA-N 384.516 4.306 0 1 GIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCOc2c1cccc2C(F)(F)F 35907097 CRCCQJDITKRXDH-CQSZACIVSA-N 376.338 4.227 0 1 GIAF Cc1nc(N2CCCC2)nc2ccc(NC(=O)COc3cccc(Cl)c3)cc12 40575741 DTCJZJYPMORMJZ-UHFFFAOYSA-N 396.878 4.209 0 1 GIAF COc1c(-c2ccc(C(F)(F)F)cc2)oc2ccc(NC(C)=O)cc2c1=O 58563691 BEMLZQIUCZAJAM-UHFFFAOYSA-N 377.318 4.446 0 1 GIAF N[C@@H](CS[C@@](Cc1ccccc1)(c1ccccc1)c1ccc(O)cc1)C(=O)O 84706037 HDUFMLZMVUMKIL-GMAHTHKFSA-N 393.508 4.024 0 1 GIAF Cc1cc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 101706559 AEONKHQDKWWIPC-LDNJSWSKSA-N 381.564 4.433 0 1 GIAF COc1ccccc1N(CC1CC1)C(=O)N1CCN(c2ccccc2C)CC1 169303187 YAHXTDMGSVFDNJ-UHFFFAOYSA-N 379.504 4.162 0 1 GIAF CCCOC(=O)[C@@H]1C(C)=CC[C@@H]2[C@@]1(C)CC[C@H]1C(C)(C)[C@H](O)[C@@H](O)C[C@]21C 238759409 IXDOKLSVJJFDAR-TUDDNVFBSA-N 378.553 4.096 0 1 GIAF c1ccc(N2CCN(CCC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1 253663268 GXOXNWXNCBKFTM-MEMLXQNLSA-N 379.552 4.050 0 1 GIAF Cc1onc(-c2nc3cc(C(=O)O)ccc3[nH]2)c1COc1ccc(Cl)cc1 587074917 AMZZDSKOZVDGCB-UHFFFAOYSA-N 383.791 4.457 0 1 GIAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cncnc4[nH]3)c(Cl)cc12 587077790 AANYXFRKPCSINW-JTQLQIEISA-N 384.823 4.205 0 1 GIAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(Cl)ncnc2[nH]1 587121759 KLVAJTLFFHNYBV-UHFFFAOYSA-N 379.729 4.429 0 1 GIAF C[C@]1(c2nc3ccc(OC(F)(F)F)cc3[nH]2)C=C(c2ccccc2F)NO1 587153882 BAWSFBGCNLGXMG-QGZVFWFLSA-N 379.313 4.392 0 1 GIAF Fc1cc(Br)cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c1 587160997 IPAFHWLKPUDVPG-UHFFFAOYSA-N 375.176 4.456 0 1 GIAF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1N 587337358 OZWHDGCYSINQEU-GGAORHGYSA-N 393.414 4.396 0 1 GIAF NC(=S)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377057 QJRSFMXEXSXPSE-UGKGYDQZSA-N 393.439 4.072 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1cc(F)ccc1Br)O2 587385000 KVQRJXLDKSQBKU-GOSISDBHSA-N 378.241 4.445 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1cccc(F)c1)([C@@H](C)CC(=O)O)CC2=O 587466776 MQKIWPJMHSPAPR-XMHCIUCPSA-N 386.419 4.455 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCN(C)C)cc1)CC2=O 587469775 PJQGJEYSHSCBPI-QHCPKHFHSA-N 383.488 4.166 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(Br)c1 587550014 YWFQQVGPIFRJNY-QFBILLFUSA-N 398.212 4.253 0 1 GIAF C[C@]1(c2ccc3nc(O)oc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585901 IHDRFVAUPUVMQF-PGRDOPGGSA-N 389.363 4.116 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ccncn1 587586961 MGVUSLVQIWLJOK-XUZZJYLKSA-N 396.402 4.088 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccccc3F)c(C(=O)C(F)(F)F)c2c1 587650080 VQVCNYQXYDXSBC-UHFFFAOYSA-N 385.338 4.123 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)nnc2Cl)N1 587702497 DMOKWDCBCRYKFS-IYQDAUBNSA-N 391.071 4.309 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccccc2)N1 587740727 KGTIXKPFPDRISJ-YEJXEWBCSA-N 389.312 4.441 0 1 GIAF CC/C=C\CCOC(=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790762 GITXFISSRZHUGF-VHPQSPIHSA-N 384.289 4.237 0 1 GIAF COCc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC 587800364 GFWOESOZJUYXPB-WLRWDXFRSA-N 394.284 4.367 0 1 GIAF CCc1ccc(-c2nc3ccccn3c2NCc2ccc(NC(=N)N)cc2)cc1 653796447 XPUFTGUNIFZYDH-UHFFFAOYSA-N 384.487 4.481 0 1 GIAF Cc1ccc([C@]2(c3ccc(O)cc3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963020466 GBQULBRAWJOHRM-CRICUBBOSA-N 384.479 4.046 0 1 GIAF Cn1ncc2c(Oc3ccc4nc(Nc5ccc(Cl)cc5)[nH]c4c3)ncnc21 1857633414 KAKMPCFSFZSVIL-UHFFFAOYSA-N 391.822 4.429 0 1 GIAF Cc1ccc(CCn2cnc(-c3cc(-c4nn[nH]c4C(F)(F)F)ccn3)c2)cc1 1857769511 LVTPIPCJSJQBGO-UHFFFAOYSA-N 398.392 4.300 0 1 GIAF Cc1ccc(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)cc1 2724729 CEUMUPUURKHUQJ-JOCHJYFZSA-N 392.405 4.457 0 3 GIAF CSc1ccc(C(=O)[C@@H]2CCCN(C(=O)c3cccnc3SC)C2)cc1 12747658 KMOMXAJFPXSNMX-OAHLLOKOSA-N 386.542 4.261 0 3 GIAF CNc1cccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1 3814590 JIHKSUATWOQISW-UHFFFAOYSA-N 395.406 4.003 0 1 GIAF C[C@@H](Sc1ccc(Br)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 29416393 BTSSXYAVXYRPTA-SQPSOYEMSA-N 384.339 4.098 0 1 GIAF C1=C(c2ccc(CCN3CCOCC3)cc2)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 36289126 UNRGMCLRRBQICS-AZGAKELHSA-N 388.555 4.097 0 1 GIAF CN1CCN([C@@H]2Cc3ccccc3Sc3ccc(-c4ccn(C)n4)cc32)CC1 64548985 WASDQAJQWQDOQW-OAQYLSRUSA-N 390.556 4.083 0 1 GIAF CCc1cc(C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)O)ncc1Cl 73198305 GRTNJTOOCDMMEK-UHFFFAOYSA-N 377.227 4.290 0 1 GIAF CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccco3)n2)CC1 82141896 UYPZDPPWVGKXJE-WMZOPIPTSA-N 382.508 4.281 0 1 GIAF CCN1C(=O)S/C(=C\C2=Cc3cc(Br)ccc3O[C@@H]2C)C1=O 95595037 ZIKCFGCZPNQAFZ-ZJTXEKFPSA-N 380.263 4.213 0 1 GIAF Cc1ccc(C(=O)Nc2ccc(Cn3nc(C)c(CC(=O)O)c3C)cc2)c(C)c1 141258181 XJEPRYMGIFNZMZ-UHFFFAOYSA-N 391.471 4.044 0 1 GIAF Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(OCC(=O)O)cc23)cc1 148939794 CZRIROIRSYJHGE-UHFFFAOYSA-N 378.472 4.331 0 1 GIAF CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OC[C@H]2CC[C@@H](N)CC2)cc1 149617644 JJZTWBIDQUNODA-MXVIHJGJSA-N 392.547 4.396 0 1 GIAF C[C@H]1C[C@@H](N)CN(c2ccncc2NC(=O)c2csc(C3CCCCC3)n2)C1 169706503 XFKAPHNFSNSIFR-GOEBONIOSA-N 399.564 4.012 0 1 GIAF Cc1ccc([C@@H]2C[C@@H]2c2cc(-n3nc(C)nc3Cc3ccccc3)nc(C)n2)nc1 205280864 BAHAFDOBADABSR-UXHICEINSA-N 396.498 4.239 0 1 GIAF CC(C)Cc1cnc(-c2ccc(-c3ccc(OCC(C)(C)C(=O)O)nc3)nc2)[nH]1 218546866 XFNSAYDZPLONEU-UHFFFAOYSA-N 394.475 4.222 0 1 GIAF CC(=O)OC/C(C)=C\CC/C(=C/CC/C(C)=C/CCC1=CC(=O)OC1)C(=O)O 238763246 RTVZIYCFNOJLDA-ABUXYODESA-N 390.476 4.277 0 1 GIAF N[C@@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F 587155258 JBADZTCPDOKDBS-HWPZZCPQSA-N 380.648 4.459 0 1 GIAF O=c1c(-c2nc3c(F)cnc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171561 OMDDIRNMUUVWIN-UHFFFAOYSA-N 390.752 4.345 0 1 GIAF COC(=O)c1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587189405 BWJIVUJLJGITCD-SFHVURJKSA-N 395.459 4.306 0 1 GIAF O=C(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccccc1 587220433 SBNFKVYDFBYXAD-GOSISDBHSA-N 396.372 4.496 0 1 GIAF COc1cccc(OC)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590555 CNVMRFQAYAILBH-NZQKXSOJSA-N 392.407 4.286 0 1 GIAF C[C@]12CC(=O)C[C@@]1(C)C[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600897 BWQKPZMEIVXVLJ-TWHAJKEOSA-N 378.424 4.262 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ncccn2)N1 587776850 YQGKLIOPTJQTNQ-RBZFPXEDSA-N 398.279 4.204 0 1 GIAF COc1cc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)cc(OC)c1O 587784043 DBSUYFHYIBSDQH-UHFFFAOYSA-N 377.238 4.332 0 1 GIAF Cc1[nH]c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)O 587793157 QLNKRKIOURDAEG-CVJBHZAOSA-N 395.272 4.029 0 1 GIAF COC(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587807764 NCAZRGUMJWQKGU-JEOXALJRSA-N 392.268 4.173 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(C(=O)O)cc32)N1 587826023 JGKZXNFVAAODEK-OVWNDWIMSA-N 390.252 4.010 0 1 GIAF CCc1oc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(=O)OC 587830824 UXMLIQFOLMMRQI-XYZCENFISA-N 396.256 4.154 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3(CCOCC3)CC2)N1 587833901 IIFQNNQZVGVIMI-ORAYPTAESA-N 380.301 4.465 0 1 GIAF CSc1nn2cc(-c3nc4c(OCc5cccnc5)cccc4o3)nc2s1 653764991 RDNVVYVGPKHVIE-UHFFFAOYSA-N 395.469 4.295 0 1 GIAF COc1cc2c(cc1-c1cnn3ccc(-c4ccnc5[nH]ccc45)cc13)CN(C)C2 1857761446 DRTOCQUQJDNMBT-UHFFFAOYSA-N 395.466 4.499 0 1 GIAF O=C(CSc1nnc(COc2cccc3cccnc23)o1)c1ccc(F)cc1 1223320 ZOYQZTCACSAKGD-UHFFFAOYSA-N 395.415 4.311 0 3 GIAF Cc1cccc(Cc2nnc(CCC(=O)N3CCCC[C@@H]3c3nccs3)o2)c1 13596243 QEGPSGHXRSLLGI-QGZVFWFLSA-N 396.516 4.112 0 3 GIAF CC(=O)N1CCC2(CC1)CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 4238079 FEPFHTOSBAFMGB-UHFFFAOYSA-N 394.359 4.169 0 1 GIAF COC(=O)c1ccccc1[C@H]1CN=N[C@@]12Cc1c(C)c3c(c(C)c1C2=O)CCC3 5539851 LINJHLJVJTZHFG-YKSBVNFPSA-N 388.467 4.306 0 1 GIAF O=c1ccoc2cc(OCCCN3CCN(c4cccc(Cl)c4)CC3)ccc12 13860922 WBHNWSXVAANTSH-UHFFFAOYSA-N 398.890 4.038 0 1 GIAF O=C(C[C@H]1CN2CCC1CC2)Nc1cc2ccc(Br)cc2s1 13974847 RBXQEDNOVSSTPK-ZDUSSCGKSA-N 379.323 4.334 0 1 GIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)NC(C)(C)C)[C@@H]3CC[C@H]12 26387581 NNVCQUGSNITOPM-BKIXWFFKSA-N 388.596 4.381 0 1 GIAF CCCCc1cccc(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 27743443 RXYDTBOPZHIQFH-UHFFFAOYSA-N 385.471 4.086 0 1 GIAF CCOC(=O)N1CCN([C@@H](c2ccc(C(C)C)cc2)c2cc(C)ns2)CC1 28246409 QSJQKHHJXAMYGM-FQEVSTJZSA-N 387.549 4.438 0 1 GIAF N[C@@H]1CN(c2ccnc(-c3ccsc3)n2)C[C@@H]1c1ccc(Cl)cc1Cl 28899533 PJWKDMOHPZSOHK-GDBMZVCRSA-N 391.327 4.443 0 1 GIAF S=C(Nc1ccnc2cc(Cl)ccc12)N1CCN(c2ccccc2)CC1 28950265 ATTJITUBAIREAQ-UHFFFAOYSA-N 382.920 4.407 0 1 GIAF O=C(Nc1cccc2[nH]ncc12)N[C@@H]1CCOc2cc(C(F)(F)F)ccc21 28965046 LNRLQTQYVBBJBO-CQSZACIVSA-N 376.338 4.227 0 1 GIAF O=S(=O)(NNc1ccnc2cc(Cl)ccc12)c1cccc2ccccc12 29134372 PVTXQCNMOIWSJJ-UHFFFAOYSA-N 383.860 4.347 0 1 GIAF NC(=O)c1ccc(S(=O)(=O)c2ccc(/C=C/c3ccc(F)cc3F)cc2)cc1 49037320 UZLABACTMPVNHT-DAFODLJHSA-N 399.418 4.067 0 1 GIAF CC[C@@H](C)Nc1nc(Oc2ccc(OC)cc2)nc(N2C[C@@H](C)C[C@@H](C)C2)n1 82066828 NWUZHJPRZHIYIC-OWCLPIDISA-N 385.512 4.365 0 1 GIAF O=C1Nc2ccc(C(=O)O)cc2/C1=C(/c1ccccc1)c1nc2ccccc2[nH]1 84739141 KMXYTUMWDQTWTG-FMQUCBEESA-N 381.391 4.172 0 1 GIAF COc1ccccc1-c1nnn(-c2cccc(C)n2)c1-c1ccc2nccnc2c1 95581702 KEKZJFZHVGOBKP-UHFFFAOYSA-N 394.438 4.257 0 1 GIAF Cc1coc2c3c(ccc2c1=O)OC[C@H]1[C@@H]3N(Cc2ccccc2)OC1(C)C 96924228 VQTRDOWMIBECON-PXNSSMCTSA-N 377.440 4.377 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2cncc3ccccc23)c(OCC(F)(F)F)c1 114028237 ATPOFOCQGLBPJF-UHFFFAOYSA-N 396.390 4.214 0 1 GIAF C/C1=C/CC(C)(C)/C=C\C[C@@]2(C)Oc3cc(O)c(=O)cc(C)c3C[C@@H]2C[C@H]1O 135733817 REJAHZFROGUZPE-UZLYQDNKSA-N 384.516 4.444 0 1 GIAF O[C@@H](COc1cccc(-c2cccc3[nH]cnc23)c1)CN1CCc2ccccc2C1 218396893 KRYNVEJDIKJPAT-OAQYLSRUSA-N 399.494 4.028 0 1 GIAF CC(=O)O[C@@H]1C[C@@H](C)[C@](O)(CCC2=COC(=O)C2)[C@@]2(C)CCCC(C)(C)[C@H]12 238773352 ZBICKXGNEGEFRD-HEXLTJKYSA-N 378.509 4.133 0 1 GIAF O=C1c2ccccc2NC(=O)[C@@H]2[C@@H]1[C@@H](c1ccccc1)C[C@@]2(O)c1ccccc1 254201664 UZEGZIRZTKQDJC-TVPUMLRDSA-N 383.447 4.129 0 1 GIAF CCOc1cccc([C@]2(N3CCN(c4ccncc4)CC3)[C@H]3C[C@H](C)C[C@H]32)c1 299847438 BMSWYXABHIZRDE-UUBVPWINSA-N 377.532 4.174 0 1 GIAF Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(S(N)(=O)=O)c2n1 473093340 TVAZYQKRBFEXPR-UHFFFAOYSA-N 396.299 4.110 0 1 GIAF N[C@H](Cc1nc2cccc(Br)c2[nH]1)c1ccc(Br)cc1 586996543 HHBLLGDJARMUDN-GFCCVEGCSA-N 395.098 4.330 0 1 GIAF Cc1cc2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc2c(C)n1 587153806 DPGKHAWYQQWSKZ-UHFFFAOYSA-N 396.447 4.182 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@H]3C[C@@H]3c3cccc(F)c3)nc-2[nH]1 587161620 PAARXUPZQCSCTN-CVEARBPZSA-N 375.407 4.032 0 1 GIAF CC[C@H](C)n1ncc(I)c1-c1nc2c(C)cccc2[nH]1 587181269 QEIZZZFXFUOION-JTQLQIEISA-N 380.233 4.310 0 1 GIAF C[C@@]1(c2cc(O)ccc2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341048 XQASPVBKSZEVCA-IRLDBZIGSA-N 379.387 4.093 0 1 GIAF CC(C)CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587345574 QBXDRYOKSQSVNV-NRFANRHFSA-N 383.463 4.381 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3ccc(C(F)(F)F)n3)cc1)O2 587381202 CUMVAXOGMCJQBN-QGZVFWFLSA-N 387.361 4.488 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(O)c(Br)cc1O)CC2=O 587457029 UNJQPRSLGZZRHX-KRWDZBQOSA-N 393.233 4.225 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(F)c1)(C1CCNCC1)CC2=O 587465790 GTHAJTLHGRTCSR-HSZRJFAPSA-N 383.463 4.344 0 1 GIAF CCCc1c(O)ccc2c1O[C@](COc1ccc(C(=O)O)cc1)(C1CC1)CC2=O 587479583 ISIWMAZENSYCLD-HSZRJFAPSA-N 396.439 4.236 0 1 GIAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@H]1CCCNC1)CC2=O 587485643 PYUNWBCHPIPLGN-UUOWRZLLSA-N 379.500 4.291 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccccn1 587576304 ILUKAAPPRDIBSA-NFBKMPQASA-N 384.391 4.281 0 1 GIAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602934 KBNYLSVQWQCDBM-GVWYEHHWSA-N 394.423 4.004 0 1 GIAF COc1ccc2c(c1)OC=C[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612513 VNJFPICBHISKBE-NZQKXSOJSA-N 388.375 4.164 0 1 GIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cnc2ccccc2n1 587657423 WIIYKOSITHBIFL-UHFFFAOYSA-N 386.361 4.274 0 1 GIAF Cc1cc(C(=O)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587718095 MLCXRVRGKVFIFH-BTDLBPIBSA-N 380.232 4.494 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ncc[nH]2)N1 587796047 ZTMRUPPLHUWTKN-HXPMCKFVSA-N 386.268 4.137 0 1 GIAF Cc1nc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(S)n1 587845723 RXWGOXLRICUBIU-RBHXEPJQSA-N 396.329 4.081 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850377 YRJWWICBEVWMAJ-ANRSDYALSA-N 384.270 4.060 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2cccs2)(C(=O)O)N1 587854832 UFZYVZCRDJAHBV-ZUZASFSRSA-N 396.281 4.177 0 1 GIAF CCOc1cc(C(C)=O)c(OCC)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587945592 ONMAFURKBCGHDE-INIZCTEOSA-N 382.363 4.110 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)CCc1ccc(OC(C)=O)cc1 963636473 RDLRQBSIENVFAQ-CMJOXMDJSA-N 383.488 4.011 0 1 GIAF O=C(c1ccc(F)cc1)N1CCC[C@H](c2cc3nc(N4CCCC4)ccc3[nH]2)C1 1857601616 WFLHQOVEFXLFAO-KRWDZBQOSA-N 392.478 4.322 0 1 GIAF CCN(CC)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn12 12305697 WTBBKLVDJVAZGH-UHFFFAOYSA-N 396.922 4.028 0 3 GIAF CCN1C(NCC(C)C)=N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C1C 15937431 AQOUMQIOFQMRBM-KRWDZBQOSA-N 397.441 4.131 0 3 GIAF O=C(NC1CCCCC1)[C@H](CCc1ccccc1)N1CCc2ccccc2C1 72135876 FULHRORKABMUTR-DEOSSOPVSA-N 376.544 4.495 0 3 GIAF Cc1ccc(NC(=O)c2ccccc2NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 627316 BMNCVISEUQFTER-IAGOWNOFSA-N 380.444 4.077 0 1 GIAF CCOc1cc(-c2cc(C(=O)O)c3c(-c4ccc(C)cc4)[nH]nc3n2)ccc1O 6733044 UQLBYKCQDCWWFD-UHFFFAOYSA-N 389.411 4.403 0 1 GIAF NCc1c(N)nc(-c2ccc(F)c(F)c2)nc1-c1ccc(Cl)cc1Cl 14948367 RSTRFELFAGTRRB-UHFFFAOYSA-N 381.213 4.437 0 1 GIAF O=S(=O)(c1ccc(Cl)s1)n1cc([C@H]2CCCNC2)c2ccccc21 28524774 JJNCPALKVTYAFB-LBPRGKRZSA-N 380.922 4.060 0 1 GIAF CCOC(=O)c1cc(-c2sc(-c3ccccc3)nc2N2CCCCC2)n[nH]1 34339571 BKTAESZQYPNAHH-UHFFFAOYSA-N 382.489 4.367 0 1 GIAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)O2 100796106 IXQQMWIAXLMOHP-HAGHYFMRSA-N 388.410 4.180 0 1 GIAF O=C(/C=C/c1ccc(OC(F)(F)C(F)F)cc1)Nc1ccccc1C(=O)O 103250069 IEGYKRZWNJOVQZ-JXMROGBWSA-N 383.297 4.273 0 1 GIAF O=C(NCCC(c1ccccc1)c1ccccc1)Nc1cnc2ccccn2c1=O 169313098 HRTVMRZSMMFHSB-UHFFFAOYSA-N 398.466 4.038 0 1 GIAF C[C@@H](c1ccc(F)c(OC(F)(F)F)c1)N1C(=O)CSc2ncsc21 169348919 HSHNHQXVNDWYCU-ZETCQYMHSA-N 378.372 4.381 0 1 GIAF NNCCc1ccc(N(Cc2ccccc2)C(=O)CCCc2ccccc2)cc1 169700537 WQGDBSJWKRMEPR-UHFFFAOYSA-N 387.527 4.249 0 1 GIAF Clc1ncc(I)c2nc(-c3ccoc3C3CC3)[nH]c12 586900831 FNDGWEDXAQQOET-UHFFFAOYSA-N 385.592 4.353 0 1 GIAF OCc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586985613 QHBPRPXLMKBMAL-SFHVURJKSA-N 386.293 4.003 0 1 GIAF Nc1c(-c2nc3cnc(Cl)[nH]c-3n2)sc2cc(Br)ccc12 587032513 UELJUNMFFYLETO-UHFFFAOYSA-N 380.658 4.184 0 1 GIAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587069226 GDSHRXUQJBZNOU-INIZCTEOSA-N 391.906 4.333 0 1 GIAF Fc1ccc(-c2cn3c(Cc4nc5nc(Cl)c[nH]c-5n4)csc3n2)cc1 587166527 VNLJVASZQPEGKU-UHFFFAOYSA-N 384.827 4.064 0 1 GIAF CC(C)[C@@H](c1nc2cc3c(cc2[nH]1)OCO3)N(C)C(=O)OCc1ccccc1 587198766 ODKGQZPLTZDCBT-IBGZPJMESA-N 381.432 4.257 0 1 GIAF O=C1c2ccc(O)cc2O[C@](CO)(c2ccccc2Cl)[C@H]1c1ccc(F)cc1 587327962 IUYGXEXURBGFEY-RBBKRZOGSA-N 398.817 4.431 0 1 GIAF CC1(C)[C@@H]2C[C@H]1[C@@](C)(O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346804 AJVUKXMVTFSSAH-BXPWAHPXSA-N 396.458 4.446 0 1 GIAF C[C@H](O)[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357603 UTJKOOVSOWCCOD-AMOXOZGRSA-N 392.426 4.253 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc(Cl)cc1Br)O2 587379014 ZMKZMKPSMFZAIU-INIZCTEOSA-N 381.657 4.269 0 1 GIAF CCOC(=O)[C@H](CC(C)C)n1cccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587389307 GNVPNXHRIIDDQH-ICSRJNTNSA-N 384.476 4.236 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccc(OC)cc3)c1)CC2=O 587475051 KQTHSCFKHWXYKS-OAQYLSRUSA-N 378.428 4.246 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCC(O)CC3)cc1)CC2=O 587475480 OQOIBNOAKJBUDR-JOCHJYFZSA-N 381.472 4.012 0 1 GIAF COc1ccc([C@@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587508841 UDTLANGZGXJOPS-OAQYLSRUSA-N 386.831 4.173 0 1 GIAF O=C1C[C@@H](c2ccc(OC3CCOCC3)nc2)Oc2c1ccc1c2CCCC1 587514806 KCMFGLZMVHUSHC-NRFANRHFSA-N 379.456 4.225 0 1 GIAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1CC(=O)O 587524767 MTPIGJGLJUTKAM-HSZRJFAPSA-N 380.440 4.082 0 1 GIAF COC(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587592270 JQHFBRJLLINPJF-WMZHIEFXSA-N 390.391 4.056 0 1 GIAF CCC[C@]1([C@@H](CC)C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593589 LVLIZBUXYDRFAE-QXATTWAWSA-N 384.428 4.092 0 1 GIAF COCc1ccc(OC)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587595007 QIFDZSROKCVBFH-NZQKXSOJSA-N 392.407 4.250 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CSCc1ccccc12 587619184 RFTCKUMUTWQWJG-KNQAVFIVSA-N 376.433 4.496 0 1 GIAF COc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587700051 UHYCZVZWEJZXFM-VXJOIVPMSA-N 385.664 4.269 0 1 GIAF CC(C)CCOC(=O)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798131 XMNKZRYKVVZOBR-XIKOKIGWSA-N 386.305 4.317 0 1 GIAF CCOc1cc(O)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587801635 MVSSGPDKUQPDLA-MLCYQJTMSA-N 380.257 4.316 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)N[C@H]1CCCC[C@@H]1C 587869809 SJBUIVHKGAIFEC-AAEUAGOBSA-N 398.454 4.274 0 1 GIAF Cc1nn(C)c([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1Cl 962642202 OGLFNSBKRYYFHM-DENIHFKCSA-N 392.934 4.218 0 1 GIAF COc1ccc(Nc2c(C(=O)C(F)(F)F)c(=O)oc3cc(OC)ccc23)cc1 1772634742 URLVBFBDMZMXGV-UHFFFAOYSA-N 393.317 4.299 0 1 GIAF C[C@H](c1cccc(Cl)c1)N(C(=O)c1cccnc1)[C@@H](C(N)=O)c1ccccc1 1772639479 VHIMTDOBZFGNJI-FOIQADDNSA-N 393.874 4.165 0 1 GIAF O=C(O)COC[C@H]1CC[C@H](CNC(=O)N(c2ccccc2)c2ccccc2)CC1 1772657894 FMSPYCIOLLLRCM-WGSAOQKQSA-N 396.487 4.442 0 1 GIAF CC(C)[C@]12C[C@H](O)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@H]2OC(=O)C=Cc1ccccc1 2356402958 VWHNJBKOOIZSEF-IHPDZEIKSA-N 384.516 4.222 0 1 GIAF CCCNC(=O)[C@@]1(C)CCCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 61908686 XQSJKSKZUPIRRL-NRFANRHFSA-N 390.955 4.307 0 3 GIAF CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CCOCC1 4310695 FRBYRNFNDRXJLT-MOPGFXCFSA-N 396.890 4.352 0 1 GIAF O=C(CNc1ccc(-c2ccccc2)nn1)N1CCC(Cc2ccccc2)CC1 13863655 WVSQQCAUHSWDPB-UHFFFAOYSA-N 386.499 4.037 0 1 GIAF C=C(C)[C@@H]1Cc2c(ccc(C(=O)[C@@H]3CCOc4cc(OC)c(OC)cc43)c2O)O1 14688433 PNGWMVLNWUQYJN-ACJLOTCBSA-N 396.439 4.038 0 1 GIAF biogenic O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)NCC1CCCCC1 27189447 FURCQFVZVJNZAB-BWWMBTDCSA-N 389.495 4.291 0 1 GIAF CO[C@@H](Cc1scnc1C(=O)Nc1nccs1)c1ccccc1Cl 28462043 GTZFJTVJYAUUHN-LBPRGKRZSA-N 379.894 4.436 0 1 GIAF O=C(NCc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O 40976999 VAKYOJMRXOMWEJ-UHFFFAOYSA-N 385.419 4.302 0 1 GIAF c1ccc(Cn2ccc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)cc1 45348792 JHUSCZPWSXRXGQ-UHFFFAOYSA-N 385.471 4.060 0 1 GIAF CC(C)(Nc1cc(N2CCC[C@H](C(C)(C)O)C2)ncn1)c1ccc(Cl)cc1 73199025 SXMWPVLVJRMRDN-INIZCTEOSA-N 388.943 4.465 0 1 GIAF Cc1ncccc1[C@@H](OC1CN(C(=O)N2CCCCC2)C1)c1ccc(Cl)cc1 73275773 MHHLAYLURKGANI-NRFANRHFSA-N 399.922 4.440 0 1 GIAF O=C(c1ccccc1)c1ccc(Oc2cc(NC[C@@H]3CCCO3)ncn2)cc1 82067849 YWWCODJJTMZWCX-IBGZPJMESA-N 375.428 4.091 0 1 GIAF COc1cc(Nc2nnc(-c3c[nH]c4ccccc34)s2)cc(OC)c1OC 84757720 AKLHSENASAXUTO-UHFFFAOYSA-N 382.445 4.456 0 1 GIAF O=C([C@H]1COC2=C(C=C=CC2)O1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 95559202 NOIAVZKNIYIVJV-NZQKXSOJSA-N 384.435 4.106 0 1 GIAF COc1cc(C(=O)c2c(-c3ncco3)[nH]c3ccccc23)cc(OC)c1OC 95595179 HXKWPEOECBDOAK-UHFFFAOYSA-N 378.384 4.080 0 1 GIAF CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccc(O)c(OC)c1 103212750 IQKKUEYECREODX-IBGZPJMESA-N 396.468 4.261 0 1 GIAF C[C@H]1CN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C[C@@H](C)O1 139066136 QMRRPCBYJHVKFM-IYBDPMFKSA-N 377.448 4.021 0 1 GIAF COc1nn(-c2ccccc2)c2cc(NC(=O)c3ccc4[nH]cnc4c3)ccc12 150039364 BAMXFBRICXZPFX-UHFFFAOYSA-N 383.411 4.163 0 1 GIAF COc1cc(C(=O)NCc2ccccc2C(F)(F)F)ccc1-c1cn[nH]c1 221709522 XFGKKABMAJVJQB-UHFFFAOYSA-N 375.350 4.034 0 1 GIAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)C3CCCC3)cc2F)cn1 224805133 XQVXYSGPTJTXAF-UHFFFAOYSA-N 397.475 4.248 0 1 GIAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(C(=O)O)cc2[nH]1 586994995 BZDHMSHDFRJJSR-UHFFFAOYSA-N 375.222 4.338 0 1 GIAF Cc1nn(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2)c(C)c1Cl 587064862 IEKRLQAWTWJBKV-UHFFFAOYSA-N 393.834 4.017 0 1 GIAF O=C1c2ccccc2-c2cc(Cn3cnc4ccccc4c3=O)nc3cccc1c23 587107227 PUQDSXMOWFOXPW-UHFFFAOYSA-N 389.414 4.204 0 1 GIAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(F)(F)F)cc2[nH]1 587193757 GMYROTUAIRZDAU-ZDUSSCGKSA-N 386.418 4.099 0 1 GIAF CCCCOc1cc2nc([C@@H](NC)c3cccnc3)[nH]c2cc1Br 587224899 SMXSSMCZWOSBHB-KRWDZBQOSA-N 389.297 4.208 0 1 GIAF NC[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335167 VPJMYNRMUBBJBV-IRLDBZIGSA-N 397.833 4.398 0 1 GIAF CCOC(=O)C[C@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352299 WUEZXRFLKGZHME-JTHBVZDNSA-N 398.430 4.382 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccc([C@H](C)C(=O)O)cc1)(C(C)C)[C@@H](C2)C3=O 587447001 JRAMZFXANMSKCT-PUMRXTBWSA-N 380.440 4.182 0 1 GIAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@@H](C)C(=O)O 587522187 KIXHNCPSGVUQSI-RBZFPXEDSA-N 396.439 4.132 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1occc1Br 587540585 PMVJPAAULSIMKX-KBXCAEBGSA-N 387.185 4.451 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1c(F)ccc(F)c12 587567077 BYIJWACJSMJDSZ-AVRDEDQJSA-N 396.345 4.310 0 1 GIAF Cn1ccnc1[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587577668 OIVFOEUXZKYSKC-BIFSNJIPSA-N 390.439 4.184 0 1 GIAF CCC[C@@]1(c2c(C)n[nH]c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589428 OKQQXWIPCXIMSA-KNQAVFIVSA-N 378.428 4.389 0 1 GIAF CCC[C@H](C)OC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597210 UGQOBQIRQDWFIX-BPSNYSSFSA-N 384.428 4.234 0 1 GIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1ccc(Cl)cc1Cl 587649705 SIJZGSPQUGXKOT-UHFFFAOYSA-N 397.283 4.439 0 1 GIAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(F)c1O 587721241 PHBDBZNHJBEVKF-VPTHRUTESA-N 384.220 4.065 0 1 GIAF Cc1[nH]c(C(=O)O)c(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790070 GQUNZIIJVPWCST-NTCNTBNZSA-N 395.272 4.029 0 1 GIAF COc1ccc(OC)c(-c2nc3cc(C)cc(Br)c3[nH]2)c1OC 587791847 HIOFFMVCYTXRHE-UHFFFAOYSA-N 377.238 4.327 0 1 GIAF COc1cccc2c1CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587804599 BIHVDVIYQDMDEH-WLRWDXFRSA-N 376.269 4.321 0 1 GIAF COc1cccc(OC)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587808504 QJUXHEILZKREFV-MLCYQJTMSA-N 380.257 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc([S@@](C)=O)cc2)N1 587837887 AGICQOOVKXVLDG-SISPJPTFSA-N 396.325 4.123 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=S)Nc1cccc(F)c1 587868632 QJSFUPOJQSTJLB-UHFFFAOYSA-N 396.369 4.357 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(C(C)=O)cc1 587870328 DUMCUTYXCMHWRX-OAHLLOKOSA-N 396.418 4.398 0 1 GIAF CN1C(=O)C[C@H]2CN[C@@H](c3cc(Cl)ccc3Br)c3cccc1c32 963031881 OXOKTEUTMUEZCR-XTZNXHDOSA-N 391.696 4.245 0 1 GIAF CNc1ccccc1[C@@]1(C(F)(F)F)N[C@H](C)Cc2c(OC)ccc(OC)c21 963609231 MXGYDEDWHDRPOP-CWTRNNRKSA-N 380.410 4.086 0 1 GIAF Cn1cc(-c2ccc(Cn3cc(-c4ccc(C(F)(F)F)cc4)nn3)cc2)cn1 1857582126 GQWMMMAUWHLIBA-UHFFFAOYSA-N 383.377 4.413 0 1 GIAF COc1cccc(CCn2cnc3c(NCc4ccccc4Cl)ncnc32)c1 1857754497 FAXDCXVRAWUBKL-UHFFFAOYSA-N 393.878 4.343 0 1 GIAF CC(=O)Nc1ccc(N2C(=O)CS[C@@H]2c2cccc(Br)c2)cc1 2947466 JYBKCXWNTYIMHK-QGZVFWFLSA-N 391.290 4.186 0 3 GIAF COc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3OC)[nH]n2)c(OC)c1 61905309 IBXCHXAZRIQELZ-UHFFFAOYSA-N 387.823 4.008 0 3 GIAF O=C(NCCc1ccc(F)cc1)c1cc(/C=C/c2cc(O)ccc2O)ccc1O 1660474 UVITVCIUDMGGEQ-ORCRQEGFSA-N 393.414 4.085 0 1 GIAF CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCC2)[C@@H]1c1c[nH]c2ccccc12 2469382 CPUXQGIRJMCVBT-VXKWHMMOSA-N 387.483 4.137 0 1 GIAF Cn1c(O)c(C2=NN(c3ccccc3)[C@H](c3ccco3)C2)c(=O)c2ccccc21 3846467 NDSIUSCZUQOQCC-IBGZPJMESA-N 385.423 4.193 0 1 GIAF biogenic O=c1c2ncn([C@H]3CCCO3)c2n(-c2ccccc2)c(=S)n1-c1ccccc1 5581049 BLVKPSJSHOROAD-QGZVFWFLSA-N 390.468 4.016 0 1 GIAF O[C@@]12CCCC[C@@H]1[C@@H](c1ccc3c(c1)OCO3)N(Cc1ccccc1F)CC2 6576868 QYCGHCGVHINPBT-SXSPYAJSSA-N 383.463 4.423 0 1 GIAF CC(=O)c1ccc(NC(=O)COc2ccccc2-c2nc(C(C)C)no2)cc1 8586956 WGUJTUFIGIUPGS-UHFFFAOYSA-N 379.416 4.080 0 1 GIAF CCCCCc1ccc(S(=O)(=O)N(CCC(C)C)Cc2c[nH]cn2)cc1 26270403 DKBOEZSZZIIBDR-UHFFFAOYSA-N 377.554 4.379 0 1 GIAF CCCc1noc(-c2ncn3c2CN=C(c2ccccc2)c2c(F)cccc2-3)n1 26392191 BAYZHMIHSZWUGD-UHFFFAOYSA-N 387.418 4.365 0 1 GIAF CC[C@H](C)N(C[C@@H](O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl)[C@@H](C)CC 27704252 YNGZJSALRCLELM-CPLUKWAASA-N 380.960 4.091 0 1 GIAF O=C(O)[C@H]1COc2cc3nc(-c4cccs4)c(-c4cccs4)nc3cc2O1 28474121 GPBNOEVRRDJTGH-CQSZACIVSA-N 396.449 4.311 0 1 GIAF O=C1NC2=C(CNC/C2=C\c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1 96270591 KKSPYLPVRMHOQR-MXHVWWQHSA-N 386.282 4.288 0 1 GIAF O=C(NC[C@H]1CC[C@@H](COc2ccccc2)CC1)c1cc(F)c(O)c(F)c1 101146003 OEYAQRURWGXHJN-SHTZXODSSA-N 375.415 4.286 0 1 GIAF CC(C)[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OCC(F)(F)F)cc1)C2=O 169702041 BGHKCNHEBSHENM-YQVWRLOYSA-N 385.426 4.168 0 1 GIAF COc1ccc(F)cc1-c1ccnc2[nH]c([C@@H]3CCN(C4CCOCC4)C3)cc12 226056193 NQQIZYQFMVWRSU-OAHLLOKOSA-N 395.478 4.346 0 1 GIAF CCOc1n[nH]c(-c2nc3cc(Cl)cc(Cl)c3[nH]2)c1Br 586979537 PBACGHOLYYPHOM-UHFFFAOYSA-N 376.041 4.421 0 1 GIAF C[C@@H](F)[C@@H](N)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587122313 CSTCXDXEWDSYEK-XLKFXECMSA-N 398.335 4.331 0 1 GIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccnc(Br)c2[nH]1)C(C)(C)C 587206966 ZFDQJACKLZFMMY-LLVKDONJSA-N 397.317 4.202 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2occ(C(=O)O)c21 587487354 ZINJTEAYROFSDD-JOCHJYFZSA-N 384.428 4.469 0 1 GIAF CCO/C=C(\C(=O)OCC)[C@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587505324 KHHXOHHQBYQPIG-AUFJSOOLSA-N 394.414 4.018 0 1 GIAF COC(=O)C[C@]1(Cc2ccccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587508106 YSGXEYCXQYNVGV-QHCPKHFHSA-N 382.431 4.214 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)nc1 587548117 SCICKUNQDMUKKF-QFBILLFUSA-N 398.212 4.253 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)nnc1Cl 587551873 KTHPVDCSOZQRHR-PBHICJAKSA-N 389.194 4.192 0 1 GIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(F)c1F 587559853 ZSHKSIJCUHCMPZ-LAUBAEHRSA-N 384.334 4.382 0 1 GIAF O=C(c1ccc(COc2ccc(F)cc2)o1)n1ncc2ccc(Cl)cc2c1=O 587652562 VHKCOJHYWXLCQR-UHFFFAOYSA-N 398.777 4.050 0 1 GIAF CC(C)[C@@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704697 JLNOWNKIQYZDSQ-BJOHPYRUSA-N 396.222 4.495 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3[nH]cnc(Cl)c2-3)N1 587708731 ZVKOESJNGADNAC-WJWGPLDTSA-N 395.663 4.088 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)c2ccc(F)cc2)N1 587727643 BYRKANWQAMLZIC-MLCYQJTMSA-N 380.232 4.360 0 1 GIAF CCn1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C2CC2)n1 587764136 OKIABGBHAGPEPY-MGNBDDOMSA-N 378.289 4.306 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccncn2)N1 587776226 CDMSEUSVSYQOMA-XCLFUZPHSA-N 398.279 4.204 0 1 GIAF CCOC(=O)C[C@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800442 XDHXEFAWEDDHSZ-SGTLLEGYSA-N 386.305 4.317 0 1 GIAF COc1nccc2[nH]cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 587801621 HMMXUNQUXWXIMM-XLFHBGCDSA-N 390.256 4.097 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccccc2O)N1 587834953 UQYDEBCQPFYTQT-WLRWDXFRSA-N 392.268 4.316 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnc(Cl)cn1 587855183 LLFYPPZDGGUDGQ-UHFFFAOYSA-N 397.649 4.388 0 1 GIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Br)cc(F)c3[nH]2)cc1 587937608 QBVBGYZEERZRBH-JDNHERCYSA-N 379.229 4.310 0 1 GIAF CC[C@@]1(Cc2nc3ccc(OCCN(C)C)cc3[nH]2)CC(=O)c2ccccc2C1 587959536 GOPFSNOSMGBJQV-DEOSSOPVSA-N 391.515 4.271 0 1 GIAF COc1cc(O)c(CCC(C)(C)OC)c2c1C(=O)C[C@H](c1ccc(O)cc1)O2 1642676472 HJADWERUMWSKGN-GOSISDBHSA-N 386.444 4.171 0 1 GIAF Cc1cc(=O)oc2cc(NC(=O)CCc3ccc(NC(=O)C(C)C)cc3)ccc12 1772628236 SQUMEHZAJNBLOM-UHFFFAOYSA-N 392.455 4.267 0 1 GIAF O=C(NC[C@H]1CCCN(C2Cc3ccccc3C2)C1)c1cccc2ccccc12 1772651233 UVZNMNZCTSODAE-LJQANCHMSA-N 384.523 4.449 0 1 GIAF CNC(=S)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 1772653715 QTZSYEFHGBRFQD-UHFFFAOYSA-N 388.294 4.052 0 1 GIAF CC(C)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CC2 1857547168 NFJHLNVAXBXQAY-KRWDZBQOSA-N 382.435 4.164 0 1 GIAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@H](O)[C@H]1CC=CCCCC(=O)OCC 2356370509 AZSPHVCKQYRXFJ-UFYCRDLUSA-N 380.525 4.162 0 1 GIAF CC(=O)O[C@@H]1C[C@@H]2[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]2(C)[C@@H](O)C=C[C@H]12 2356399263 RCMYBWOAYFVOPI-XYJGRIGFSA-N 388.548 4.303 0 1 GIAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](CN3CCC(C)C)Oc3ccccc32)cc1 2356610196 WOCODLLBRDQNMZ-RBBKRZOGSA-N 394.515 4.110 0 1 GIAF COC(=O)[C@@]1(C)[C@H]2CCc3cc4[nH]c5ccccc5c4cc3[C@]2(C)CC[C@H]1O 2356712866 QGSPVLSFRSZVTG-DVKRWUGUSA-N 377.484 4.475 0 1 GIAF O=C(NCCCCc1ccccc1)[C@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 13478302 CMBJSUIBGGTGAZ-LJQANCHMSA-N 390.405 4.338 0 3 GIAF CSc1ccc(NC(=O)[C@@]2(C)CCN2C(=O)C2(c3ccccc3)CC2)cc1 61927226 IXAOUBTWOJISPH-OAQYLSRUSA-N 380.513 4.070 0 3 GIAF Cc1ccsc1CCNC(=O)CCc1nc2cccnc2n1-c1ccccc1 6737646 RWBOXRNYMZSTBA-UHFFFAOYSA-N 390.512 4.082 0 1 GIAF O=C(CCCN1CC[C@](CCO)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 13558998 YEHRQVUHEWQQQF-JOCHJYFZSA-N 389.898 4.468 0 1 GIAF CC1=C[C@@H](C)[C@@H](C)N(CCNS(=O)(=O)c2ccc(C)cc2)c2ccccc21 17249261 GNQPOUDSQAHPQM-IEBWSBKVSA-N 384.545 4.221 0 1 GIAF NC(=O)c1ccc(-c2cnc([C@H](O)CCCCCCc3ccccc3)o2)nc1 36079979 SGCDGOIXEMZDBH-LJQANCHMSA-N 379.460 4.062 0 1 GIAF CC(C)[C@H]1CC[C@]2(C)CC[C@H](O)[C@@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1 36374576 BYIDNKQJXAGYPI-GBXAQRQHSA-N 386.532 4.206 0 1 GIAF CCCC[C@@H](CC)C(=O)OC[C@]1(CO)C/C(=C\c2ccc(Cl)cc2)C(=O)O1 44418176 JEDIOERZFNMBAO-KPMHLKNASA-N 394.895 4.161 0 1 GIAF Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3C)s2)n1 47183530 MMHPWKOKDRQYKE-UHFFFAOYSA-N 384.530 4.180 0 1 GIAF CN(CC[C@H]1CCCO1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 66166754 AQFCXIRRURWIHX-QGZVFWFLSA-N 377.444 4.031 0 1 GIAF CC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3cc(F)c(OC)cc3F)ccnc21 84688756 SJERJORLCVYKPW-KRWDZBQOSA-N 385.414 4.415 0 1 GIAF COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OCCN1CCCCC1 95563341 INTWPXXYPPWFBV-SFHVURJKSA-N 397.519 4.443 0 1 GIAF COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O 95921313 FRAOYGZBTRQIIP-UHFFFAOYSA-N 386.411 4.340 0 1 GIAF in-vitro O=C1OC2(CCC(O)CC2)CCN1[C@H](c1ccc(Br)cc1)C1CC1 146283202 QSJNWMVHCXJEGV-HFCFLWKCSA-N 394.309 4.416 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@@]21C 299821565 KXGVEGMKQFWNSR-FIEFJKFTSA-N 392.580 4.478 0 1 GIAF O=S(=O)(c1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1)C(F)(F)F 586902659 BGQCIGJVRAJVTG-UHFFFAOYSA-N 394.374 4.388 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 586915522 FEJZHDPRVCEQNA-ZMZPIMSZSA-N 376.243 4.481 0 1 GIAF Cn1nccc1[C@@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586988085 YFAYPFSSRJPCJD-HNNXBMFYSA-N 381.435 4.354 0 1 GIAF Clc1cc(Cl)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 587006245 KFDFVRULAFJXDQ-UHFFFAOYSA-N 383.036 4.342 0 1 GIAF COc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1C 587019568 NYWXTQWZBKQGRO-UHFFFAOYSA-N 384.486 4.241 0 1 GIAF Fc1cnc2[nH]c(-c3cccc(N=c4[nH]c(-c5ccccn5)cs4)c3)nc2c1 587021384 LOSLUSVSFGPBHJ-UHFFFAOYSA-N 388.431 4.448 0 1 GIAF COC(=O)c1cc2nc([C@@H](N)c3ccsc3)[nH]c2c(F)c1Nc1ccccc1 587025644 PHPQMMUJHLQFFL-INIZCTEOSA-N 396.447 4.342 0 1 GIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccnc(OC)c2[nH]1 587035664 XXJUUBRAQDDIIB-AWEZNQCLSA-N 380.473 4.452 0 1 GIAF FC(F)(F)OCc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587125642 SGGRWYVIEUDANX-UHFFFAOYSA-N 379.054 4.260 0 1 GIAF Cc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c(F)c1 587146151 BFECNBQIYYJXJY-UHFFFAOYSA-N 387.583 4.330 0 1 GIAF CN[C@H](c1cccnc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587221739 HVJZLFSEFLMXEP-GFCCVEGCSA-N 385.187 4.048 0 1 GIAF Brc1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2n1 587230357 TUKCTTVUKVIZHV-UHFFFAOYSA-N 380.249 4.395 0 1 GIAF COc1cccnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334913 GCIRNGOGTRJAEW-DENIHFKCSA-N 379.387 4.209 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cn(CC(=O)O)c3ccccc13)(C(C)C)O2 587389793 JWIYYHBPUKFASU-QHCPKHFHSA-N 392.455 4.133 0 1 GIAF CCOC(=O)[C@@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587399859 MQINNCWOCNCKDI-QHCPKHFHSA-N 381.472 4.299 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccccc2O[C@@H]1c1ccccc1 587414493 VQEKCDGLJFYMNW-DNQXCXABSA-N 385.419 4.298 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(Br)cc1OC)CC2=O 587457702 BIQKGAQCVAKJLH-MRXNPFEDSA-N 392.249 4.217 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(F)cccc1N1CCOCC1)CC2=O 587466534 OJAAVRSQASCICB-QHCPKHFHSA-N 399.462 4.201 0 1 GIAF CN(C)CCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587501222 BOVZFRNRMPEVAV-XMMPIXPASA-N 379.500 4.386 0 1 GIAF C[C@@]1(C(=O)c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572984 UHYDBQMXXZGLNJ-PGRDOPGGSA-N 378.355 4.135 0 1 GIAF Cc1cc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)n1 587586105 HHOXEJHXORFQDG-CTNGQTDRSA-N 375.424 4.367 0 1 GIAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccc4c(c3)OCO4)[nH]c12 587637518 BGDINPQEKPTWCH-UHFFFAOYSA-N 377.274 4.007 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccncn2)N1 587778420 NAYDNWOYPWWVDO-ZUOKHONESA-N 398.279 4.204 0 1 GIAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587782963 UJCKZNBBJWCCTR-UHFFFAOYSA-N 386.333 4.275 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2COc3ccccc3C2)N1 587837056 YZIXIVLHTRQECQ-WQBCIRTESA-N 376.269 4.415 0 1 GIAF Cc1cc(C(=O)O)sc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587846660 VIZSLYCNSOFOBP-XLKFXECMSA-N 384.270 4.280 0 1 GIAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c2)c1 587932949 SMLVZPSISAPVFE-UHFFFAOYSA-N 387.439 4.313 0 1 GIAF Cc1ccnc2c1CCN[C@@]2(Cn1c(Cl)nc2ccccc21)c1ccccc1 963071589 KDEDZFIRWVBNGS-QHCPKHFHSA-N 388.902 4.483 0 1 GIAF CCC[C@H](O)[C@]1(CCC)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963178961 FKAGCQSYYWEKBN-YQQAZPJKSA-N 393.833 4.114 0 1 GIAF O=C(CCc1ccc(-c2ccc(O)cc2F)cc1)NC1=C(C(=O)O)CCCC1 1772639780 YQFUXKIFZRBFFT-UHFFFAOYSA-N 383.419 4.160 0 1 GIAF CS(=O)(=O)c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1 1772652633 CVBIDAMNMMPDNT-UHFFFAOYSA-N 393.390 4.310 0 1 GIAF Cc1ccc(CN=c2[nH]c3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)cc1 1857565521 XUSOBDHRJJIHGD-UHFFFAOYSA-N 396.903 4.146 0 1 GIAF CCCCCn1c(CS(=O)(=O)c2ccc(NC(C)=O)cc2)nc2ccccc21 1857632941 OLSIJAWAYYUYHW-UHFFFAOYSA-N 399.516 4.159 0 1 GIAF COc1cc2c(cc1OC)-c1n[nH]c(/C=C3\C(=O)Nc4ccc(Cl)cc43)c1C2 1857655635 ZXFDIPPCIHMJTP-ZSOIEALJSA-N 393.830 4.144 0 1 GIAF COC(OC)C1=C[C@@H](O)[C@@]2(C)CC[C@@]3(C)CCC(C(C)C)=C3[C@H]2C[C@H]1OC 2356324213 HKKOLWQOYBQKEY-CZHOHAKKSA-N 378.553 4.480 0 1 GIAF COc1cccc(CNc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1 3815171 ASEKFENKLHTYMI-UHFFFAOYSA-N 380.839 4.371 0 1 GIAF CN1C[C@H](CNC(=O)OCc2ccccc2)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21 5967023 REJFPXMKRRYBSC-UCNVEGJOSA-N 389.499 4.054 0 1 GIAF COc1cccc([C@H]2c3cc4c(cc3O[C@](C)(N3CCCC3)[C@@H]2C)OCO4)c1O 17142516 LDJUMRJNYFZQRI-ZGFCVWDJSA-N 397.471 4.102 0 1 GIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)NC(C)(C)C)[C@H]3CC[C@@H]12 26387571 NNVCQUGSNITOPM-LYNBEELSSA-N 388.596 4.381 0 1 GIAF c1ccc2c(CCO[C@@H]3CCCC[C@H]3N3CCC4(C3)OCCO4)cccc2c1 28653762 AGODJIYXHHMETP-DHIUTWEWSA-N 381.516 4.159 0 1 GIAF CCSc1ccc(OCc2nnc3sc(-c4ccccc4O)nn23)cc1 28709015 UIUTZXCWKNAKBK-UHFFFAOYSA-N 384.486 4.249 0 1 GIAF CC(=O)C1=NN(c2cc(C)ccc2F)C[C@@]1(CCCN(C)C)c1ccccc1 28953547 FTEPMVFWUZEGMB-QHCPKHFHSA-N 381.495 4.179 0 1 GIAF CCCC[C@@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCC(=O)OC 38447294 VHQLQBCLSFZTMN-GESJVYRFSA-N 396.568 4.344 0 1 GIAF Cc1nnc(C2CCN(c3ccccn3)CC2)n1-c1ccc(C(F)(F)F)cc1 72122898 BBIMUOMBAXOPSX-UHFFFAOYSA-N 387.409 4.374 0 1 GIAF Nc1c2c(nc3c1[C@H](c1ccncc1)c1c(c4ccccc4oc1=O)O3)CCCC2 96284155 JTSNOIBVMLQPFN-SFHVURJKSA-N 397.434 4.330 0 1 GIAF CCOc1ccccc1[C@@H]1/C(=C(\O)OC)C(C)=Nc2nc(-c3ccccc3)nn21 103542062 MBAPAQQNEWJVOZ-AZZGVMCLSA-N 390.443 4.455 0 1 GIAF Cc1c(Cc2ccccc2)nnc(N2CCC(c3nc4ncccc4[nH]3)CC2)c1C 117257292 BICVVNYZNHJZPZ-UHFFFAOYSA-N 398.514 4.340 0 1 GIAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCCCC2)cn1 142188311 PDHWQEISXAXCEI-UHFFFAOYSA-N 377.444 4.250 0 1 GIAF COC(=O)c1cc2c(-c3ccccc3Oc3ccccc3)cn(C)c(=O)c2n1C 146713589 UUUHNULLPJNKDB-UHFFFAOYSA-N 388.423 4.123 0 1 GIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@@H]4[C@@H]3CC[C@@H]12 169322000 NNVCQUGSNITOPM-DSLRJWDWSA-N 388.596 4.381 0 1 GIAF C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCC[C@@H](C)C1 169329584 CVCBNPONPMIIDX-SJORKVTESA-N 380.488 4.041 0 1 GIAF O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccc(Cn2cccn2)c1 205313141 KUAGTXCCRHEPRW-UHFFFAOYSA-N 378.863 4.039 0 1 GIAF Clc1ncnc2c1ncn2C[C@H]1CC(c2ccccc2)=NN1c1ccccc1 220919978 YGAYOVGQWIIEDR-QGZVFWFLSA-N 388.862 4.163 0 1 GIAF CC(=O)N[C@@H]1CCCc2c1cncc2N1C(=O)c2ccc(Cl)cc2[C@H]1C1CC1 224485290 FVQHFNCQANINKL-TZIWHRDSSA-N 395.890 4.360 0 1 GIAF Cc1nc(N)cc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)n1 224755219 BJGQCQUOWPHMOC-UHFFFAOYSA-N 388.406 4.005 0 1 GIAF CO[C@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]23C)CO1 238739190 FZZTZQBZRHIDKL-SAXBAYHSSA-N 394.552 4.471 0 1 GIAF Cc1ccc2c(ccc3[nH]c(-c4ccc(NS(=O)(=O)C(C)C)cc4)nc32)n1 586951028 QWNKKCMHMPMJDX-UHFFFAOYSA-N 380.473 4.237 0 1 GIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccccc1[C@H]3C(=O)O 586989728 DCGXLQKDLUOYIW-GOSISDBHSA-N 379.371 4.349 0 1 GIAF C[C@]1(c2nc3cc(Br)c(F)cc3[nH]2)C=C(c2ccccc2F)NO1 587155651 JNORGPODARFPQV-QGZVFWFLSA-N 392.203 4.395 0 1 GIAF O=S(=O)(Nc1ccsc1-c1nc2ccc(F)cc2[nH]1)c1ccc(F)cc1 587169836 BMIAORCJSIYGSS-UHFFFAOYSA-N 391.424 4.370 0 1 GIAF CCOC(=O)CNc1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 587227829 ZPHQMDSIGGPIHN-UHFFFAOYSA-N 392.228 4.107 0 1 GIAF CCOC(=O)c1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587236033 WBXHRJWZNIAYAS-HUUCEWRRSA-N 387.480 4.291 0 1 GIAF COc1cncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587338281 NSJJUPXSDAJTOB-UNMCSNQZSA-N 379.387 4.209 0 1 GIAF CCc1cc(=O)oc2cc(OC[C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)ccc12 587410596 YOWQQSTWLVNEJH-QHCPKHFHSA-N 393.439 4.049 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CC[C@@H]1C(=O)OCC 587483170 VQKYBZLDELDSFZ-NTKDMRAZSA-N 394.467 4.331 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2cccn2)cc1 587580099 HDHHQZYVRJXKQN-XUZZJYLKSA-N 398.418 4.340 0 1 GIAF Cn1ccc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2)n1 587583698 WQVPPALMLRCQRA-QPPBQGQZSA-N 398.418 4.496 0 1 GIAF CCOc1ccc(-c2nn(-c3ccccn3)c(=O)c3ccccc23)cc1OCC 587670362 VSEGFARJAWQKAX-UHFFFAOYSA-N 387.439 4.245 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCC(=O)O)(c2ccccc2)N1 587826754 IYDXNVZVEKGXRK-CWTRNNRKSA-N 392.268 4.231 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ncc[nH]2)(c2cccs2)N1 587850783 FSTHNDMYTGCKFT-BTDLBPIBSA-N 392.297 4.199 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C(=O)O)ccn1 587860380 SKCHFEWKJUEDBF-UHFFFAOYSA-N 378.215 4.338 0 1 GIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CN)c1cccs1 961751991 UKXKASJNTQRITR-JOCHJYFZSA-N 399.560 4.102 0 1 GIAF Cc1cc(Br)c([C@@H]2NCCc3c(C(=O)O)cccc32)cc1Cl 963125800 USTAUKITXZVTAU-MRXNPFEDSA-N 380.669 4.344 0 1 GIAF Cc1c(C(=O)NCCc2ccc(N3CCOCC3)cc2)oc2ccc(Cl)cc12 1857568688 GMDIPRDKDMCSOK-UHFFFAOYSA-N 398.890 4.204 0 1 GIAF CC(C)[C@H]1COCCS(=O)(=O)N1Cc1ccccc1-c1cccc(Cl)c1 61944773 HSUSRKBWOLTXMI-HXUWFJFHSA-N 393.936 4.194 0 3 GIAF CC(C)Oc1ccccc1N1CCN(Cc2ccc(CN3CCCC3)cc2)CC1 835567 FQWVDNDCLCTKQZ-UHFFFAOYSA-N 393.575 4.392 0 1 GIAF CCCCCc1c(CCCC)c(=O)[nH]c2cc(CNCC(OC)OC)ccc12 5501718 CTHRWGYCIBTPQM-UHFFFAOYSA-N 388.552 4.312 0 1 GIAF Cc1ccc(NC(=O)CN2c3ccccc3S(=O)(=O)c3ccccc32)cc1F 6785064 GNJQAWHTCUSLNJ-UHFFFAOYSA-N 396.443 4.057 0 1 GIAF aggregator Cc1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](C2CC2)N3)c1C 13123785 JTYMSCDOVQMAOF-HOCLYGCPSA-N 378.398 4.450 0 1 GIAF aggregator CCOC1=C(C(=O)O)[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 13473433 JUKZVYAZPQISFD-HXUWFJFHSA-N 398.411 4.168 0 1 GIAF CCCc1ccc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)cc1 13742550 LWQMDEWZROZTHF-UHFFFAOYSA-N 390.527 4.465 0 1 GIAF Cc1nc2ccccn2c(=O)c1CCN1CCc2oc3ccc(Cl)cc3c2C1 27861658 RJGDAIXCXQIWEK-UHFFFAOYSA-N 393.874 4.003 0 1 GIAF CC(C)CCn1c(Cn2c(=O)n(C(C)C)c3ccccc32)nc2cc(N)ccc21 28952207 LEPHNDWOLLEMBU-UHFFFAOYSA-N 391.519 4.410 0 1 GIAF C[C@H]1CCC(=O)N1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1 38836765 HBFIZPMIQSYORR-KRWDZBQOSA-N 391.515 4.342 0 1 GIAF CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)s1 43017762 VASQNGVVNSPKTK-UHFFFAOYSA-N 382.529 4.176 0 1 GIAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)C3CC3)c(C(F)(F)F)c2)C1 59261983 QUVLTPSEQSBWKS-XJKSGUPXSA-N 381.442 4.117 0 1 GIAF O=C(N1CCCCC1)N1CC(O[C@H](c2ccccc2)c2cccnc2Cl)C1 73258808 YBKPVQPSTHTVBI-LJQANCHMSA-N 385.895 4.131 0 1 GIAF C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCC1CCCCC1 82083946 HGIXURPMLNGFSI-ZDUSSCGKSA-N 376.478 4.035 0 1 GIAF CCOc1ccc(-c2cc(NCc3cc(OC)c(OC)c(OC)c3)ncn2)cc1 82160428 ZMSUWYIIICVVNF-UHFFFAOYSA-N 395.459 4.180 0 1 GIAF CN(Cc1cccc(F)c1)C(=O)c1cc2c(Cc3ccccc3)n[nH]c2cc1O 84722893 QNSXVICNJWAQIF-UHFFFAOYSA-N 389.430 4.271 0 1 GIAF CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3oc(-c4ccccc4)nc13)C2 103267000 ORIFHGMCBRVMDD-NNZMDNLPSA-N 375.472 4.240 0 1 GIAF CCOC(=O)/N=c1/sc(Br)cn1-c1cccc(C(F)(F)F)c1 103272195 MXUQOHDYOSTEDZ-WOJGMQOQSA-N 395.200 4.377 0 1 GIAF Cc1cccc(-c2[nH]c(CNc3ccccc3C)nc2-c2ccc3ncnn3c2)n1 113386796 MRKBGLMXPIGFPN-UHFFFAOYSA-N 395.470 4.410 0 1 GIAF Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1ccccc1F 118858995 PWLRRJAFPMHNQH-IEBWSBKVSA-N 381.495 4.449 0 1 GIAF COc1ccc(C2=NN(c3nc(O)cs3)[C@H](c3ccc(OC)cc3)C2)cc1 169726261 LIGRRTJJPFSAPD-SFHVURJKSA-N 381.457 4.222 0 1 GIAF COc1cc2c(cc1O)-c1ccc3cc4c(cc3c1N(C)[C@H]2CC(C)=O)OCO4 238782117 TYFAVLUGUPAHGU-SFHVURJKSA-N 391.423 4.420 0 1 GIAF C[C@@H](CCC(=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 255205521 DGABKXLVXPYZII-FBSSCDJOSA-N 392.580 4.478 0 1 GIAF COC(=O)[C@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-n2cccc2)cc1)C3 261120754 JMLZRLQBGATUMI-FZVMOBOASA-N 376.500 4.154 0 1 GIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(I)cc3[nH]2)cc1 586886609 FOHQHGNTDDJWEC-MEDUHNTESA-N 392.240 4.313 0 1 GIAF CC(=O)N[C@@H](Cc1nc2ccc(F)c(F)c2[nH]1)c1ccc(Br)cc1 586986677 ZKNSCHLHNAYZAJ-AWEZNQCLSA-N 394.219 4.024 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc(Cc3ccccc3C(F)(F)F)nc-2[nH]1 587105843 ARLQBOMGJUYXPZ-UHFFFAOYSA-N 399.376 4.232 0 1 GIAF CCCc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)c(Br)c1 587365111 AYAIOFNPYHDKGT-UHFFFAOYSA-N 394.656 4.471 0 1 GIAF CCc1ccc([C@@]2(CCCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447789 VIHJSSJSBVCGIZ-WZONZLPQSA-N 380.440 4.155 0 1 GIAF COC(=O)c1cc(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594979 QFHFKWRSNXJFRO-KNQAVFIVSA-N 390.391 4.190 0 1 GIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)N1CCCC[C@@H]1C 587623232 AUCJOLOTFFFOEZ-VIFPVBQESA-N 375.270 4.130 0 1 GIAF CCCCc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587776520 XRAXOHAOENAKTP-ADLMAVQZSA-N 378.289 4.344 0 1 GIAF CCCCOC(=O)[C@@H]1CCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587796952 UPSNHWFBGMKOJB-UHYGZKCKSA-N 398.316 4.461 0 1 GIAF COc1cccc(OC)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587808900 REHVEVQVMGMIMS-XTZNXHDOSA-N 380.257 4.229 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2COc3ccccc3C2)N1 587835161 NUPVKSICRJCKGX-LCCAYYTGSA-N 376.269 4.415 0 1 GIAF CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874990 LCQSJMYALBYELH-INIZCTEOSA-N 375.400 3.984 0 1 GIAF CCOC(=O)CC[C@@]1(c2ccccc2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962572757 QIUPNRMKFAXTRH-BXKMTCNYSA-N 397.515 4.167 0 1 GIAF CC(C)[C@@]1(c2nccn2C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962644881 XTOGHLARIMQRBT-DHLKQENFSA-N 386.543 4.067 0 1 GIAF COc1cc2nc(Nc3ccc(F)cc3)nc(NC[C@@H]3CCCO3)c2cc1OC 1772601445 UXKWXGQTMJMRQT-HNNXBMFYSA-N 398.438 4.121 0 1 GIAF COc1ccc(CN=c2[nH]n(-c3cccnc3)c3ccc(C(F)(F)F)cc23)cc1 1857617119 DZGCWNQRWOUSDZ-UHFFFAOYSA-N 398.388 4.482 0 1 GIAF COc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)C2=S)cc1Cl 1857763471 RCHBTSRQEVSBOD-UHFFFAOYSA-N 381.284 4.136 0 1 GIAF COc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)c3ccco3)n2)cc1 929114 MMRJTTVQBWWQFO-INIZCTEOSA-N 384.457 4.238 0 3 GIAF O=C(NC1CCCC1)[C@H](c1ccncc1)N(C(=O)c1ccco1)c1ccccc1 1380018 OHJYBNJZPNCVAY-NRFANRHFSA-N 389.455 4.122 0 3 GIAF Cc1ccc2nc3n(c(=O)c2c1)-c1ccc(Cl)cc1C(=O)N[C@H]3CC(C)C 61949358 GIJZJNACWSLJCX-KRWDZBQOSA-N 381.863 4.178 0 3 GIAF COCc1cc(CCCOc2c(Cl)cc(-c3noc(C)n3)cc2Cl)on1 1535254 ISNHEFFXJUBHIF-UHFFFAOYSA-N 398.246 4.498 0 1 GIAF COc1ccc(N2C(=O)CS[C@H]2c2ccc3cccc(O)c3n2)cc1Cl 6738777 YKMNPMPGUJXJFY-IBGZPJMESA-N 386.860 4.381 0 1 GIAF CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccsc2)[C@@H]1c1cccs1 6875507 YYPPCBHVBLGAOZ-MOPGFXCFSA-N 396.537 4.079 0 1 GIAF Cc1cc(C)c2c(n1)NC(=O)CC(c1ccc(-n3c(C)nc4cnccc43)cc1)=N2 13743161 GCAJJRHKTBPIPQ-UHFFFAOYSA-N 396.454 4.204 0 1 GIAF COc1ccc2c(C(=O)N(C)CC(=O)O)c(C(C)(C)C)ccc2c1C(F)(F)F 13823586 XNAIJHLKESVTQK-UHFFFAOYSA-N 397.393 4.321 0 1 GIAF CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)SCCCc1ccccc1 27105498 PCCUYVLNELEYRW-SFHVURJKSA-N 389.561 4.265 0 1 GIAF CCN(CC)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2 27323605 NUSHELRLSJLWBO-UHFFFAOYSA-N 379.895 4.114 0 1 GIAF C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1Cl 28820572 KDBXYNSMRDJJFO-LLVKDONJSA-N 383.300 4.384 0 1 GIAF Nc1nnc(-c2ccc(F)c(F)c2Nc2ccc(Br)cc2F)o1 34097093 MTXXTWWDVHKPGW-UHFFFAOYSA-N 385.143 4.242 0 1 GIAF COC(=O)C[C@H](c1cccnc1)[C@H](C(=O)N(C(C)C)C(C)C)c1ccccc1 34986388 DRWJYPNKGJSIRQ-IFMALSPDSA-N 382.504 4.158 0 1 GIAF c1ccc(OCCNC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1 40954654 BQBVUOHGBBXQLG-XMMPIXPASA-N 389.495 4.014 0 1 GIAF CC[C@H](C)CN1CCC(N(C)c2cc(NC(=O)c3ccc(F)cc3)ccn2)CC1 45194934 DZHFWKVIGOTZRU-KRWDZBQOSA-N 398.526 4.420 0 1 GIAF CC(C)(C)OC(=O)N1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72101093 MWZHLEVUUNIRMX-LJQANCHMSA-N 387.911 4.377 0 1 GIAF CCNCc1cncc(-c2ccc3[nH]nc(-c4nc5c([nH]4)CCCC5)c3c2)c1C 72177727 SOTKENVBRTXUTF-UHFFFAOYSA-N 386.503 4.312 0 1 GIAF CC(C)c1noc(N2CCC(CCCNc3ccc4c(c3)C(=O)CC4)CC2)n1 84729705 AAEXAWXHXYDQNR-UHFFFAOYSA-N 382.508 4.431 0 1 GIAF COc1ccc([C@H]2CC(=O)c3c(O)cc(OCc4ccccc4)cc3O2)cc1O 95561853 CDVCUUPVBSIPQT-OAQYLSRUSA-N 392.407 4.392 0 1 GIAF C[C@H](SC1=NS(=O)(=O)c2cc(Br)ccc2N1)c1ccccc1 95582581 HANNJZNYOVHEAD-JTQLQIEISA-N 397.319 4.414 0 1 GIAF CCC[C@H](NC(=O)OCC(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1 95587600 FOENSCNFCWRCMI-DOMZBBRYSA-N 395.500 4.164 0 1 GIAF CC(C)c1ccc2c(c1)c1c(n2CC(=O)O)CCN(C(=O)c2ccccc2)C1 96271039 GILPFRBHUUZGDZ-UHFFFAOYSA-N 376.456 4.048 0 1 GIAF O[C@H]1CC[C@H](Nc2nccc(-n3ccc4c(N5CCCCC5)cccc43)n2)CC1 100628556 LVAWCWUJUNENBB-HDICACEKSA-N 391.519 4.126 0 1 GIAF O=C(Cc1ccccc1)Nc1onc(-c2c(F)cccc2F)c1-c1ccncn1 117412970 HOBYZKRTXSATAJ-UHFFFAOYSA-N 392.365 4.258 0 1 GIAF Cc1ccc(-c2nccnc2O[C@H]2C[C@H](Nc3nc4ccccc4s3)C2)cn1 146088222 DYZBSRXUWCVDTF-IYBDPMFKSA-N 389.484 4.479 0 1 GIAF CCCCCNC(=O)NCCCC/C=C\CCCCCSc1nn[nH]n1 203753240 CKFGPMPAHRIUSD-PLNGDYQASA-N 382.578 4.068 0 1 GIAF O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1nccs1 250796303 BHCJSUWNSLTRNB-JVSBHGNQSA-N 386.476 4.386 0 1 GIAF O=C(O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc(O)c3)[nH]2)cc1 299825521 LDYQHMPYEFIFBI-UHFFFAOYSA-N 375.359 4.349 0 1 GIAF Clc1ncc(Cl)c2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007194 NQPHMUDAVGYLAO-UHFFFAOYSA-N 383.036 4.342 0 1 GIAF Fc1cc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2cc1-n1cccn1 587008629 ZUHPMPDGMMHFLM-UHFFFAOYSA-N 397.211 4.194 0 1 GIAF COc1ccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c(C(F)(F)F)c1 587096879 DABSGVUVLBWIPF-UHFFFAOYSA-N 390.409 4.009 0 1 GIAF COC(=O)c1cc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cn1 587149376 GPHADDPNCSEROG-IBGZPJMESA-N 395.365 4.191 0 1 GIAF O=C(CCc1nc2cc(Br)c(F)c(F)c2[nH]1)Nc1cccc(F)c1 587162744 LEAXUHOEYJQBCO-UHFFFAOYSA-N 398.182 4.314 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(Br)ccnc2[nH]1)C(C)(C)C 587204049 HIMPIPQZLVGNPT-NSHDSACASA-N 397.317 4.202 0 1 GIAF Nc1ccc2c(c1)[C@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336674 NZYQHMJQPMGZRC-GGAORHGYSA-N 375.399 4.314 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H](CC(=O)O)CCC[C@H]1c1ccccc1 587408603 QNFSSAGCQRFQQZ-CEXJFXJFSA-N 379.456 4.340 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cnn(Cc4ccccc4)c1Cl)[C@@H](C2)C3=O 587420137 HGPDDCRSFPCRGV-MGPUTAFESA-N 380.831 4.082 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(F)cccc1OCCOC)CC2=O 587464831 ARNOBNHNZIJWKC-QFIPXVFZSA-N 388.435 4.390 0 1 GIAF O=C(N[C@H]1CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3)OCc1ccccc1 587513281 RIFQJBFZRVQYBC-XUZZJYLKSA-N 391.467 4.358 0 1 GIAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc(OC)c1OC 587524324 LYWSWQMPVPPLOB-QHCPKHFHSA-N 382.456 4.472 0 1 GIAF CCn1ncc([C@@]2(CC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587583694 WQRYIMAZGYJQFO-DENIHFKCSA-N 378.428 4.184 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCN1CCCC1 587859307 HZUXSQFGCCSEGV-UHFFFAOYSA-N 382.291 4.382 0 1 GIAF O=C(O)c1ccc2c(c1)CCC[C@@]21NC2(CC2)Cc2ccc(Br)cc21 961614829 MDIIISHSTZEWRO-OAQYLSRUSA-N 398.300 4.406 0 1 GIAF COCCn1nc(C)c([C@@]2(C)NCCc3cccc(-c4ccccc4)c32)c1C 962674337 WFXMOUWOUIXNSE-XMMPIXPASA-N 375.516 4.223 0 1 GIAF CC(C)COc1ccc([C@H]2N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962729679 JFJUPTDETVOIBY-RBUKOAKNSA-N 377.406 4.457 0 1 GIAF C[C@@H]1[C@H](C)N(Cc2ccccc2)[C@H](C)[C@@]2(NCCc3c(C(=O)O)cccc32)[C@H]1C 963131863 PATYOCSBCPRNRY-CHAZSLEPSA-N 392.543 4.291 0 1 GIAF C[C@H]1C(=O)N(C)c2ccc(C(=O)N3CCc4ccccc43)cc2N1C1CCCC1 1857753937 OLNZGNDZUGYCSZ-INIZCTEOSA-N 389.499 4.003 0 1 GIAF COC(=O)C[C@H](C)CC[C@@H]1C(COC(C)=O)=CC[C@H]2[C@]1(C)CCC[C@@]2(C)CO 2356433819 VWSFDOGERZAPRR-ZTOLMKNVSA-N 394.552 4.280 0 1 GIAF CCCCNC(=O)c1onc(CSc2ccccc2)c1C(=O)NCCCC 12466419 HAINEOCBYMHXCM-UHFFFAOYSA-N 389.521 4.027 0 3 GIAF CC1(C)CC(=O)c2c(n[nH]c2CCCCc2[nH]nc3c2C(=O)CC(C)(C)C3)C1 4147084 IFERKHLUIRAESU-UHFFFAOYSA-N 382.508 4.008 0 1 GIAF CCCCN(CCCC)CCCOc1ccc(-c2cn3nccnc3n2)cc1 26375770 CFRBOEPTLIJSMA-UHFFFAOYSA-N 381.524 4.462 0 1 GIAF Cc1csc(-c2cc(-c3ccncc3)c3n(c2=O)CCCc2ccncc2-3)n1 29399112 SRAWBNFSMIHBEM-UHFFFAOYSA-N 386.480 4.350 0 1 GIAF Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2ccccn2)c2cccnc12 34575924 KSPLGMFQGYKOBY-UHFFFAOYSA-N 399.385 4.177 0 1 GIAF Fc1cc(Br)ccc1Nc1ncnc2cc3c(cc12)OCCO3 45352033 XHIJJLWCUQLVGT-UHFFFAOYSA-N 376.185 4.046 0 1 GIAF C[C@@H]1CCCCCCCCC[C@H](O)C(=O)C[C@H](SCC(F)(F)F)C(=O)O1 72177835 KWOCEXGEXNPJHY-YCPHGPKFSA-N 398.487 4.427 0 1 GIAF COCCn1c(-c2cccs2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188430 RUCWYFJWWYYNIC-HNNXBMFYSA-N 393.516 4.417 0 1 GIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3nc(-c4ccccc4)no3)C2)cc1 96172959 HFKXNRFGNAJJJP-OAHLLOKOSA-N 377.444 4.087 0 1 GIAF COc1ccc(C2=C3SC=c4ccccc4=C3ON=C2c2ccc(C)cc2)cc1 98085300 YSRIDEUPWJMIHV-UHFFFAOYSA-N 397.499 4.442 0 1 GIAF CCNC(=O)n1ncc2nccc(Nc3ccnc(-c4cc(F)ccc4F)c3)c21 140519024 VTZBBQMFTROBRY-UHFFFAOYSA-N 394.385 4.093 0 1 GIAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccccc1Cl 169723921 JJQSUDBPPRICHU-NVXWUHKLSA-N 377.868 4.303 0 1 GIAF N#Cc1ccc(-c2cccc(OC[C@@H](O)CN3CCc4ccccc4C3)c2)cc1 219733973 DISKEWMLHADUHY-DEOSSOPVSA-N 384.479 4.023 0 1 GIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cncc(C)c4[nH]3)c2)cc1 586931238 OJWHBMRLHKTSAV-UHFFFAOYSA-N 392.484 4.067 0 1 GIAF Cc1ccc(NC(=O)CSCCc2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 586971031 RSTBNOYUTJLNKW-UHFFFAOYSA-N 395.315 4.488 0 1 GIAF CCS(=O)(=O)c1ccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2c1 587010849 DUYALCRTYVADSW-UHFFFAOYSA-N 397.525 4.379 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)C(F)(F)C1 587131685 BEZCRJNMGXIPMF-SSDOTTSWSA-N 393.221 4.234 0 1 GIAF CC(C)(C)OC(=O)N(Cc1nc2cc(Cl)cc(F)c2[nH]1)C[C@@H]1CCCO1 587197434 OTLYCPIONPLDIX-LBPRGKRZSA-N 383.851 4.272 0 1 GIAF C[C@]1(c2cccc(O)c2N)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334631 JVAUHWOFYRGPNT-DENIHFKCSA-N 379.387 4.093 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(NC(=O)C(C)(C)C)cccc1OC)[C@@H](C2)C3=O 587433589 SKEXYYYZJRBQRN-QKKBWIMNSA-N 395.455 4.177 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCC(=O)O)cc1)CC2=O 587479670 IZJRGJGFUNVWKV-QFIPXVFZSA-N 384.428 4.079 0 1 GIAF CN(C)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587555641 QTWXGKKQUXVDQD-DENIHFKCSA-N 379.387 4.300 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(F)cccc12 587569041 JUUWCGZFTLHUHQ-PGRDOPGGSA-N 378.355 4.171 0 1 GIAF Cn1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cn1 587584034 YNRGBAYKRJTATP-QPPBQGQZSA-N 398.418 4.496 0 1 GIAF CC(=O)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599918 IXEAELKWQZSHGI-UGKGYDQZSA-N 376.364 4.020 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc([C@@H]2CCCO2)s1 587616021 YOYFTQFPEOKOLH-KNBMTAEXSA-N 395.436 4.403 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2C(=O)C(F)(F)F)N1 587709175 JCBISOOOZOGLBA-FFTROKDMSA-N 394.206 4.249 0 1 GIAF CC(=O)Nc1ccccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587744303 ROUHUTIUNJEZNM-JEOXALJRSA-N 391.284 4.344 0 1 GIAF CC(=O)Nc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587746215 YZZYLVFMOACQSR-JEOXALJRSA-N 391.284 4.344 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C(c2cccnc2)(c2cccnc2)N1 587773422 IKCVPSMVFLLJPY-ZDUSSCGKSA-N 398.279 4.204 0 1 GIAF C=C1C=C(C)n2c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc2N1 587774375 MVTXJTGNVLWUON-QGHHPUGFSA-N 389.272 4.208 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cncnc2)N1 587777762 JMBGQLNBIPKHON-ZUOKHONESA-N 398.279 4.204 0 1 GIAF CCCCOC(=O)[C@@H]1CCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587791876 IZMHKGVXDCBBCF-PTAUBWNISA-N 398.316 4.461 0 1 GIAF CC/C=C\CCOC(=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792430 LDKDBGRAMHWISC-VHPQSPIHSA-N 384.289 4.237 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(C)(C)O)N1 587824536 CDCQXOSHAQBEIT-BUXKBTBVSA-N 378.285 4.137 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(C(=O)O)c2)N1 587825314 GYAHDIUTFPOGSS-MGNBDDOMSA-N 378.241 4.084 0 1 GIAF CCOC(=O)CC[C@]1(c2ccncc2)c2ccsc2CCN1Cc1ccco1 962713934 XMRINRPUZVUCND-QFIPXVFZSA-N 396.512 4.381 0 1 GIAF COC(=O)c1ccc([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962717896 RDIRZRPSQFZCFS-JTSKRJEESA-N 385.504 4.239 0 1 GIAF CO[C@@H]1CCN(C(=O)Nc2ccc3sc(-c4ccc(F)c(F)c4)nc3c2)C1 1772637430 VPUNMFGSFCBVRC-CYBMUJFWSA-N 389.427 4.494 0 1 GIAF CCNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1 1857601893 OMGNSAAPOUBBMC-UHFFFAOYSA-N 399.494 4.090 0 1 GIAF Nc1ccc(-c2cn(Cc3cn(-c4ccccc4)nc3-c3ccccc3)nn2)cc1 1857639805 SPCZBIZCLQYZPJ-UHFFFAOYSA-N 392.466 4.428 0 1 GIAF CCCC1([C@H](O)CC=C[C@H]2[C@H](CCCCCCC(=O)O)C(=O)C[C@H]2O)CCC1 2356656062 PAYNQYXOKJDXAV-FMWKFLBASA-N 394.552 4.255 0 1 GIAF COc1ccc2[nH]c3c(c2c1)CCN[C@]31C(=O)N(c2ccccc2)c2ccccc21 203468611 MPYVVFUNFRCSDI-VWLOTQADSA-N 395.462 4.244 0 3 GIAF COc1ccc(-n2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3c2=O)cc1 2937586 KRKCPWHLVNYGOT-IRXDYDNUSA-N 390.483 4.117 0 1 GIAF CC[C@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)Cc2cc(OC)ccc2O1 12031071 GDPVOSAQYXVBAE-IBGZPJMESA-N 381.451 4.398 0 1 GIAF Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4ncn[nH]4)sc3c2)c(C)c1 13536502 QMEZDKCRXIPYPR-UHFFFAOYSA-N 378.461 4.336 0 1 GIAF Cc1ccc(NC(=O)Nc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1C 28524830 IDNWZLJGGARSGN-WOJBJXKFSA-N 389.455 4.403 0 1 GIAF NC1=N[C@](c2ccccc2)(C2CCCCC2)C(=O)N1Cc1cc(F)cc(F)c1 34948616 QUKQOEWZOAXBOR-JOCHJYFZSA-N 383.442 4.098 0 1 GIAF CC(C)N[C@H](C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)C1CCCCC1 58590877 ZDTCHBCAYSXSNH-SFHVURJKSA-N 375.900 4.067 0 1 GIAF CN1CCN(c2ccc(Nc3ccnc4ccc(Br)cc34)cc2)CC1 58638751 CGCYZGLZJSUFMP-UHFFFAOYSA-N 397.320 4.493 0 1 GIAF CN1CCN(c2ccc3c(c2)[C@@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1 61942332 CQQWIHMDQBNBBE-XXBNENTESA-N 391.515 4.009 0 1 GIAF CC(C)Cc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2[nH]ccc12 63539199 GQVOLDFSBVIZQO-UHFFFAOYSA-N 385.899 4.390 0 1 GIAF O=C1C(=O)N(Cc2ccc(-c3ccncc3)cc2)c2ccc(OC(F)(F)F)cc21 64539937 FTGDGWSADPJCDF-UHFFFAOYSA-N 398.340 4.377 0 1 GIAF C[C@@H]1CCCN1CCCOc1ccc(-c2nnc(O)cc2-c2ccccn2)cc1 72116680 FDONLUADVNNDHR-QGZVFWFLSA-N 390.487 4.164 0 1 GIAF O=C(Nc1ccc2cccc(O)c2n1)Nc1cccc2c1[C@H]1CCCCN1C2=O 95576276 KCPAFVTXXDJECR-MRXNPFEDSA-N 388.427 4.265 0 1 GIAF CC(C)(C)c1ccc([C@H](CCN2CCN(c3ccccc3)CC2)OC(N)=O)cc1 95579483 ISIMBLSULWHZDG-QFIPXVFZSA-N 395.547 4.333 0 1 GIAF O=C1NC2=C(CNC/C2=C\c2ccccc2Cl)[C@H](c2ccccc2Cl)N1 96270603 XMOQGWZLFBHATR-CWIMXHLESA-N 386.282 4.288 0 1 GIAF Cc1cnc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)s1 103242959 AKBVREXEVPVWDD-UHFFFAOYSA-N 395.507 4.079 0 1 GIAF COc1cccc(-c2noc(C)c2C(=O)N(C)c2ccc(C(F)(F)F)nc2)c1 103297783 QBWKNZQCZMOAPF-UHFFFAOYSA-N 391.349 4.349 0 1 GIAF CCN(Cc1ccncc1)c1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1 103301232 UKISTMNGUFRETM-UHFFFAOYSA-N 387.483 4.012 0 1 GIAF CCOc1ccc(-c2nnc(SCC(=O)N(C)c3cc(C)cc(C)c3)[nH]2)cc1 146391378 FOYWVMZKNOBEMT-UHFFFAOYSA-N 396.516 4.242 0 1 GIAF O=C(N[C@H](c1cccnc1)C(F)(F)F)c1ccc(C2CC2)c(OCC2CC2)n1 150196749 BCZCFVPVLYJKQO-QGZVFWFLSA-N 391.393 4.176 0 1 GIAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@H](c2cncc(F)c2)NC(=O)N1 206329054 LJLHENKEAGPYJF-SFHVURJKSA-N 391.431 4.001 0 1 GIAF CC(=O)N1CCC(c2ccc(-c3cc4c(C(=O)O)n[nH]c4cc3Cl)cc2)CC1 216022810 SRPFRSHIYHOFPW-UHFFFAOYSA-N 397.862 4.307 0 1 GIAF Cc1cc2c(F)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 219026368 RCAIYBPWDMSCDT-UHFFFAOYSA-N 387.462 4.126 0 1 GIAF CC1(C)OC[C@]2(C[C@]34C[C@H]2CC[C@H]3[C@]2(C)CCCC(C)(C)[C@H]2C(=O)[C@H]4O)O1 238773239 GPDYNSLXYAITQJ-SCFFORSRSA-N 376.537 4.091 0 1 GIAF O=C(O)CSc1ncccc1-c1nc2c(Cl)cc(Br)cc2[nH]1 586967398 VPQVHSBZOFERDI-UHFFFAOYSA-N 398.669 4.218 0 1 GIAF O=C(O)CSc1ncccc1-c1nc2c(OCc3ccccc3)cccc2[nH]1 586969386 WYYHBYQSJFVXGG-UHFFFAOYSA-N 391.452 4.381 0 1 GIAF Clc1cnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 587000616 IPEYEZGRRSXOQQ-UPHRSURJSA-N 392.640 4.315 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C)c(F)cc3[nH]2)cc1 587042587 NDPBMDCYDQJLFQ-SFHVURJKSA-N 385.464 4.297 0 1 GIAF Cc1cncc2nc(-c3ccccc3NCCNc3ccccc3C(=O)O)[nH]c12 587231990 YREKYFLKWMWRDV-UHFFFAOYSA-N 387.443 4.156 0 1 GIAF C[C@]1(c2cc(O)ccc2N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341050 XQASPVBKSZEVCA-RBBKRZOGSA-N 379.387 4.093 0 1 GIAF Cc1ccc2c(n1)NCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352381 XCGFCECROCPSLO-OFNKIYASSA-N 390.414 4.305 0 1 GIAF COc1ccc(Br)c2c1[C@@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 587372794 RGUAWMDOVROKDH-LJQANCHMSA-N 388.261 4.155 0 1 GIAF COC(=O)c1ccccc1[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587400362 RELCCTPFBYUPEJ-DEOSSOPVSA-N 387.435 4.273 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCCCN(C)C)CC2=O 587469700 OTNANCQQVWAHCQ-JOCHJYFZSA-N 383.488 4.382 0 1 GIAF COc1c(F)cccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554019 CKNLKWKTBWDDGI-XMSQKQJNSA-N 380.371 4.417 0 1 GIAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(-c2ccccc2)n1 587580506 IJNJHZIRPDHZED-GBXCKJPGSA-N 398.418 4.496 0 1 GIAF FC(F)(F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cnccn1 587622005 UANVZLYDDUYOGW-UHFFFAOYSA-N 382.143 4.283 0 1 GIAF COc1ccc(Cl)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587693126 CXNBFRGQLAUMCB-VXJOIVPMSA-N 385.664 4.269 0 1 GIAF CC[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587700320 ALWTWNLKXXPTQZ-XLKFXECMSA-N 382.195 4.249 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc3c(Cl)n[nH]c23)N1 587701245 AREITOMBALZIPI-NZFNHWASSA-N 395.663 4.137 0 1 GIAF CCC(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587705066 LBXDZHHPQUYSNO-XLKFXECMSA-N 382.195 4.249 0 1 GIAF CC/C=C\CCOC(=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792426 LDKDBGRAMHWISC-NSHICSFLSA-N 384.289 4.237 0 1 GIAF CCCC[C@]1(CC(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587800851 ZYSXMDBDQWLLFJ-KZULUSFZSA-N 386.305 4.461 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2C(=O)O)N1 587824724 CUCNXZLYDZKXDY-MLCYQJTMSA-N 378.241 4.084 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C[C@@H]2CCCCC23OCCO3)N1 587840491 YCIVHFOODKLKOI-IVMMDQJWSA-N 398.316 4.487 0 1 GIAF CSc1nn2cc(-c3nc4ccc(OCc5cccnc5)cc4o3)nc2s1 653762259 RMALOGIGYXAWNK-UHFFFAOYSA-N 395.469 4.295 0 1 GIAF COc1ccc([C@@H]2CC(c3ccc(-n4cccc4)cc3)=NN2C(C)=O)c(OC)c1 653791865 GFFJAXHRKZFPGM-QFIPXVFZSA-N 389.455 4.192 0 1 GIAF Cn1c(=O)c(Oc2c(Cl)cccc2Cl)cc2cnc(NC3CC3)nc21 653795103 IKCPKTRGNJUBMT-UHFFFAOYSA-N 377.231 4.002 0 1 GIAF COc1ccc2c(c1)NCC[C@]21c2cccc(F)c2CCN1[C@@H]1CCSC1 962715877 PPCWLBNIDHRJNC-QRQCRPRQSA-N 384.520 4.257 0 1 GIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CC(C)=O)(C(F)(F)Br)N1 962951729 USLOVIQXKHDTHL-MEDUHNTESA-N 385.252 4.254 0 1 GIAF O=C(Nc1ccccc1)c1cc2sccc2n1S(=O)(=O)c1ccccc1 1772636889 ISTQRGZRHQCOQL-UHFFFAOYSA-N 382.466 4.192 0 1 GIAF Cc1ncc([C@H](CNC(=O)c2cccc(Cl)c2Cl)N2CCCCC2)cn1 1772649792 CTBPIVWIDXCSFF-KRWDZBQOSA-N 393.318 4.049 0 1 GIAF C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Oc1ccc(NC(=O)c2ccco2)cc1 3446305 BWAGUYHGOJSUMU-JKSUJKDBSA-N 390.439 4.277 0 3 GIAF O=C1NC[C@@H](Cc2cccc3ccccc23)N(CCCCC2CCCCC2)C1=O 12726241 PVNACWXSYZWSAY-JOCHJYFZSA-N 392.543 4.460 0 3 GIAF CNC[C@@H](O)c1cc(F)c(OCc2ccccc2)c(OCc2ccccc2)c1F 13122933 RDRSHCINRMBIOP-HXUWFJFHSA-N 399.437 4.376 0 3 GIAF COc1ccc(C[C@H](N)c2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1 61905661 XZNKERNEDMSVIC-INIZCTEOSA-N 386.452 4.177 0 3 GIAF O=CNc1cc(-c2ccc(C(=O)NC3CC3)cc2)cn2c(-c3ccccc3)cnc12 61908811 MIEGMIPXBJGTRF-UHFFFAOYSA-N 396.450 4.129 0 3 GIAF S=c1[nH]nc(-c2cc(-c3ccccc3)n[nH]2)n1N/C=C1\C=Nc2ccccc21 136374353 ZTOUYPZFBSMDEM-WYMLVPIESA-N 385.456 4.298 0 3 GIAF CC[C@@H](C)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 2468668 DWBULRIHHPDXHE-KBJGYGKASA-N 389.499 4.004 0 1 GIAF Cc1ccccc1[S@@](=O)Cc1ccc(C(=O)N2CCc3ccccc3C2)o1 6772145 NSSFEIOVSINQMC-HHHXNRCGSA-N 379.481 4.094 0 1 GIAF c1ccc2c(c1)N[C@@H]([C@@H]1[C@H]([C@@H]3Nc4ccccc4S3)O[C@@H]3CCCN13)S2 17221682 SKSITQFSDMBHNB-USYVTKNRSA-N 383.542 4.264 0 1 GIAF O=C1CC[C@]2(c3ccc(Cl)cc3)O[C@@H](CNc3ccc(Cl)cc3)CN12 27522664 KXJHBQBFBMXPEW-PKOBYXMFSA-N 377.271 4.280 0 1 GIAF COc1ccc2[nH]c3c(c2c1)[C@H]1CCN(C1)[C@@H]3C(=O)O[C@@H](C)c1ccccc1 28948246 QOYBOGLFRNMXIM-DDVAMESESA-N 376.456 4.325 0 1 GIAF CCC[C@@H](C)Nc1nc(C)nc2c(-c3c(C)cc(OC)cc3OC)c(C)nn12 40410028 RKVPQTFSKLVVAF-CYBMUJFWSA-N 383.496 4.334 0 1 GIAF O=c1c(CSC(=S)N2CCN(c3ccccc3)CC2)coc2ccccc12 43021995 OWLICICDWPWQAE-UHFFFAOYSA-N 396.537 4.133 0 1 GIAF COc1ccc2nc(C)c3c(C)nc(-c4ccccc4OC(F)(F)F)n3c2n1 73167124 KVQOOHOAWKKRAQ-UHFFFAOYSA-N 388.349 4.469 0 1 GIAF CC(=O)N(C[C@@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1CC1CC1)C(C)C 95871871 ZQIFSPSGLWQNLO-UBFVSLLYSA-N 396.575 4.050 0 1 GIAF CC1=CN[C@@H]2C(NCCN3CCCCC3)=Nc3cc(-c4ccccc4)sc3N12 101442106 DRCPFHFXRDRXPZ-NRFANRHFSA-N 393.560 4.131 0 1 GIAF Cc1cccc(Cc2c(=O)n(C)c(=O)[nH]c2[C@H]2CC[C@@H](c3ccccc3)CC2)c1 101598359 KKAWLDJLZJOYAH-MEMLXQNLSA-N 388.511 4.414 0 1 GIAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4c(F)cccc43)cccc21 143584169 YEYSOAJFAVKBGK-QGZVFWFLSA-N 395.434 4.102 0 1 GIAF COc1cccc(Nc2nccc([C@@H]3C(c4ccccc4)=NN4C=CC=C[C@H]34)n2)c1 169720372 TUPCJYGCAPLRDO-YADHBBJMSA-N 395.466 4.484 0 1 GIAF CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@@H]4C[C@H]5NC[C@H](O5)[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)C 238783694 DHRIIIUBPCQKPA-BIJCOQGCSA-N 389.580 4.377 0 1 GIAF c1ccc2c(c1)N[C@H]([C@@H]1O[C@@H]3CCCN3[C@H]1[C@@H]1Nc3ccccc3S1)S2 263607834 SKSITQFSDMBHNB-WAPOTWQKSA-N 383.542 4.264 0 1 GIAF COc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cc1Cl 587074688 VLUWAIWEJBBCTJ-UHFFFAOYSA-N 388.258 4.494 0 1 GIAF CCOC(=O)[C@@H]1[C@H](C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351446 UUGBNHJSPRNXSP-CGKALAKVSA-N 398.430 4.238 0 1 GIAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(CC(C)C)cc1)[C@@H](C2)C3=O 587447430 RWWIBJZNSJLVEY-CYFREDJKSA-N 394.467 4.401 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccc(OC)cc1)CC2=O 587481976 QRSVVMGCJHQPKM-HSZRJFAPSA-N 398.455 4.167 0 1 GIAF COc1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587557200 MKDYXTBGCULOPJ-NQIIRXRSSA-N 384.334 4.382 0 1 GIAF C[C@](O)(C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607314 HWVHICKUEIBMAY-FYZXYUIOSA-N 394.467 4.300 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2oc(=O)ccc2c1 587612507 VHYJGGFZQXPVJE-REWPJTCUSA-N 386.359 4.202 0 1 GIAF CSc1ncc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587614159 QYHVIWHREICQGN-UWJYYQICSA-N 394.452 4.090 0 1 GIAF COC(=O)c1c(-c2cnccn2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628605 XJRYKEZHDAIUOO-UHFFFAOYSA-N 389.255 4.449 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(F)c(O)cc32)N1 587727459 CMLDZFBKOOATLI-YYSFKGJASA-N 380.232 4.157 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(N)CC[C@@]2(C)C3(C)C)N1 587747314 POANZYBNOUZBLS-QZSLJVFJSA-N 381.333 4.245 0 1 GIAF COc1cccc(OC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587803128 WNMJPPJXSCRLTP-ZBEGNZNMSA-N 380.257 4.251 0 1 GIAF Cc1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587836625 WICZCFRGLKEOEC-CWTRNNRKSA-N 376.269 4.457 0 1 GIAF COC(=O)c1sccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587846601 UYVLSLTXQQXFML-RTHLEPHNSA-N 384.270 4.060 0 1 GIAF COC(=O)c1ccc(-n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862930 LVGZFCPBXIXSQM-UHFFFAOYSA-N 376.334 4.353 0 1 GIAF COc1c(Cc2ccccc2)cc(O)n1-c1cnc(Cc2ccc(F)cc2)nc1 587945417 DVXZQYNFGSNNOO-UHFFFAOYSA-N 389.430 4.302 0 1 GIAF CS(=O)(=O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587949260 DADGNLWUUPNQKV-UHFFFAOYSA-N 378.453 4.350 0 1 GIAF C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CC[C@@H](c2ccccn2)NC1=O)C1CC1 618013056 CQGVMZAJFZRNCD-DJKXOVBDSA-N 397.906 4.055 0 1 GIAF NC(=O)c1c(F)ccc(OCCCOc2ccc(Cl)c3cccnc23)c1F 1772616087 RLITUPCBXSZTQQ-UHFFFAOYSA-N 392.789 4.113 0 1 GIAF c1ccc(N2CCN(CCCOc3cccc4[nH]c5ccccc5c34)CC2)nc1 1911585679 ZGDYCFIZWJIIHT-UHFFFAOYSA-N 386.499 4.307 0 1 GIAF CC(C)[C@@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2[C@@H]3OCC4=C3[C@](C)(CC[C@H]4O)CC[C@]12C 2356594698 ZAFBDBZIQHIUHT-LLWBXSAXSA-N 376.537 4.065 0 1 GIAF Cc1cc(C)cc(Cn2c(C)c(C(=O)N(C)Cc3ccc(F)cc3)sc2=O)c1 61906503 JLMVHPOVJKYSEJ-UHFFFAOYSA-N 398.503 4.295 0 3 GIAF C/N=c1\[nH]c2cnc(Nc3cccc(Oc4ccccc4)c3)cc2n1CCOC 82082010 XWFPAMKIFRCSTL-UHFFFAOYSA-N 389.459 4.077 0 3 GIAF Cc1cccc(C)c1NC(=O)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205209104 QUZZGNJIVCVDLM-XJKSGUPXSA-N 387.842 4.363 0 3 GIAF CCOC(=O)c1cc([C@@H]2CCN(C[C@H](C)CC)C2=S)c(-c2cc(C)no2)[nH]1 1653956 LOBREDKSHZCROZ-OCCSQVGLSA-N 389.521 4.318 0 1 GIAF CC(=O)O[C@@H](c1ccc2c(c1)OCO2)[C@@H](C)[C@H](C)Cc1ccc2c(c1)OCO2 14646581 JGKHKCJSHZISNL-ALLJEULLSA-N 384.428 4.263 0 1 GIAF COc1ccc(-c2oc3cc(OCC=C(C)C)cc(O)c3c(=O)c2OC)cc1O 14779653 GNVQLNWJZAHMQS-UHFFFAOYSA-N 398.411 4.233 0 1 GIAF biogenic C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 34046327 KXGVEGMKQFWNSR-VASDDTILSA-N 392.580 4.478 0 1 GIAF C[C@H]1CN(c2ncccn2)CCN1C(=O)c1ccc(-c2ccc(Cl)cc2)cc1 34805491 BYEFJGPFPNMSBM-INIZCTEOSA-N 392.890 4.148 0 1 GIAF COC(=O)C[C@H]1c2ccccc2[C@@H](Cc2ccc(OC)cc2)[C@@H](C)N1C(=O)OC 38140896 LPMQDEGGQDLASL-NQERJWCQSA-N 397.471 4.096 0 1 GIAF C[C@@H]1CCC(=O)N1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1 38836762 HBFIZPMIQSYORR-QGZVFWFLSA-N 391.515 4.342 0 1 GIAF CC1(C)[C@@H]2CC[C@]13CCN(CCN1CCN(c4cccc(Cl)c4)C1=O)[C@@H]3C2 43074896 BLMDJHOZZKURJN-ZWDAVXSWSA-N 387.955 4.483 0 1 GIAF O=C1OC2(CCC(C(=O)Nc3ccc(-c4ccccc4)cn3)CC2)c2cnccc21 45390973 DXEFJGPUHYASEM-UHFFFAOYSA-N 399.450 4.338 0 1 GIAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1-c1ccccc1 82134070 OOMXICYRRGLMKH-UHFFFAOYSA-N 386.499 4.406 0 1 GIAF COc1cc2nc(NCCc3ccc(O)cc3)nc(NCC(C)C)c2cc1OC 82136711 CEFVMUOBHVKEMR-UHFFFAOYSA-N 396.491 4.075 0 1 GIAF CC(C)N(c1ccc([C@@](C)(O)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 84713656 VYWWAGISJXXVTQ-QGZVFWFLSA-N 387.423 4.060 0 1 GIAF Cc1cc(C(F)(F)F)ccc1C(=O)N[C@@]1(c2ccccc2)CCCN(C)C1 144082453 LFYCGQDNDXHJED-FQEVSTJZSA-N 376.422 4.365 0 1 GIAF CC1=C(c2nc(-c3cccc(O)c3)cs2)[C@@H](c2cccc(O)c2)NC(=O)N1 145381618 XPQQMJWHSRKXEN-GOSISDBHSA-N 379.441 4.006 0 1 GIAF COCCCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(F)c1 225951385 YXQDIIPJDPYZJA-UHFFFAOYSA-N 389.814 4.139 0 1 GIAF COC(=O)/C(=C\CC/C(C)=C/CC[C@@]1(C)C=Cc2cc(O)cc(C)c2O1)CO 238777166 CWRIQGUAHCWTRV-SSOPIMSFSA-N 386.488 4.463 0 1 GIAF OCc1ccc(-c2nc3c(Br)cc(OC(F)(F)F)cc3[nH]2)cc1 586895476 ISPQXXIACWVXBB-UHFFFAOYSA-N 387.155 4.383 0 1 GIAF Sc1nc(S)c2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2n1 587016076 OTOSEXWOAAGXAH-UHFFFAOYSA-N 377.907 4.374 0 1 GIAF N[C@@H](N=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587041951 QLSGYWKKWLQGMV-KRWDZBQOSA-N 386.502 4.344 0 1 GIAF COc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc(Cl)c1O 587046129 KUVXENVLUBYVEB-UHFFFAOYSA-N 389.036 4.408 0 1 GIAF Clc1ccc(-c2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)nn1 587085108 KPIFJCBUNNPRJV-UHFFFAOYSA-N 386.640 4.498 0 1 GIAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587088847 SLJXAHMSQPAECN-ZCFIWIBFSA-N 378.167 4.353 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3ccc(Cl)c(C)c3[nH]2)C(F)(F)F)n1 587094714 UAYKEGCRFLEFAN-AWEZNQCLSA-N 375.803 4.282 0 1 GIAF COc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Cl 587147822 BRVVKDQMNFNTDU-NSHDSACASA-N 391.805 4.019 0 1 GIAF O=C(c1ccc2ccccc2c1)c1c(CO)oc2cc(Br)cnc12 587275576 DKIWDWBXLGLOJP-UHFFFAOYSA-N 382.213 4.467 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]3C[C@@H]2CCC3=O)[C@@H]1c1ccc(F)cc1 587348534 DGCBDXYTRHNRML-DENVIXNGSA-N 380.415 4.408 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4ccnc(Cl)c41)[C@@H](C2)C3=O 587421257 ORZBEOORDVPWID-KSFYIVLOSA-N 375.811 4.415 0 1 GIAF CCO/C=C(/C(=O)OCC)[C@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587505328 KHHXOHHQBYQPIG-JQFUVSSDSA-N 394.414 4.018 0 1 GIAF C[C@]1(CC(=O)NCCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587509500 DCWJWZXJXHDJIO-XMMPIXPASA-N 377.484 4.038 0 1 GIAF COc1cc(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 587540983 CMRMEKOPYASEKP-GHTZIAJQSA-N 398.798 4.463 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1n[nH]c2ccc(F)cc12 587571135 PKKBLQPKAJAIPK-LAUBAEHRSA-N 376.343 4.111 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H]1CC[C@]2(C)C1(C)C 587818351 QVMJKZYGOKAJNN-ZUZKAXPWSA-N 380.301 4.343 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C)(C)[C@H]1CC[C@@]2(C(=O)O)C1 587825683 HWFDYEKLZWGMOU-NLWJUZDLSA-N 396.300 4.229 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc([S@](C)=O)cc2)N1 587841100 PKRKLDGIZVPHOJ-WNJMORBRSA-N 396.325 4.123 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@]2(CCC[C@@H](C(F)(F)F)C2)N1 962636062 LPZFPOJSSIPZFI-ZETOZRRWSA-N 397.315 4.132 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1c(Cl)nc2cc(Cl)ccn12 963031082 HEHSHTNUZUQHJK-SFHVURJKSA-N 399.281 4.433 0 1 GIAF COc1ccc2c(c1OC)[C@@]1(CCC(C)=C1C)N(C(=O)c1ccccc1N)CC2 963140910 NNNKUQOLJJCFPZ-DEOSSOPVSA-N 392.499 4.310 0 1 GIAF CCc1cccnc1[C@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963206922 ZRDSDQNMJVGTIK-FZKQIMNGSA-N 398.812 4.179 0 1 GIAF COc1cc(N[C@H](C)CCCNC(=O)Nc2cccc(O)c2)c2ncccc2c1 1772604481 KOQPBQIVELXZIQ-OAHLLOKOSA-N 394.475 4.351 0 1 GIAF Fc1ccc(OC(F)(F)F)cc1-c1ccc2oc(CCc3nn[nH]n3)cc2c1 1772624768 OOKJDEWYOSGUHO-UHFFFAOYSA-N 392.312 4.436 0 1 GIAF COc1ccc2c(n1)C(=O)N(C)C1(CC1)c1ccc(-c3ccc(F)nc3)cc1-2 1857586095 SDOAZYAZKGQRRD-UHFFFAOYSA-N 375.403 4.033 0 1 GIAF CCc1c(-c2ccc(N3CCC(F)(F)C3)cc2)nc(O)c2c(O)nsc12 1857601048 GHDFDCAUOXGBPR-UHFFFAOYSA-N 377.416 4.177 0 1 GIAF CCCCOc1ccc2c(c1)C(=C(Br)Br)OC2=O 1857630039 CHQYSHSLBNMLHM-UHFFFAOYSA-N 376.044 4.452 0 1 GIAF CC(=CCOc1ccc2ccc(=O)oc2c1)CC[C@H]1[C@@]2(C)CC[C@@H](O)[C@@]1(C)CO2 2356478406 CTQYKKGZEKTFJL-CJTFWIGWSA-N 398.499 4.464 0 1 GIAF CCOc1ccc(NC(=O)N(C2CCCCC2)C2CCN(C(C)=O)CC2)cc1 3057263 FMOWPOZDCWZOCO-UHFFFAOYSA-N 387.524 4.263 0 3 GIAF CC(=O)Nc1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2ccccc2)c1 205210217 AMQZVAYDOXWADY-UHFFFAOYSA-N 386.451 4.375 0 3 GIAF O=C1Nc2cccc3c2[C@]1(CCCCN1CCN(c2ccccc2)CC1)CCC3 13473674 OSNLZQMWBCDMGV-VWLOTQADSA-N 389.543 4.205 0 1 GIAF Cc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1 13762092 PEUVGLHBVHFKPT-UHFFFAOYSA-N 380.391 4.270 0 1 GIAF O=C(NCCc1ccc(O)c2ccc(O)cc12)c1ccc(OC(F)(F)F)cc1 29040734 LXNUJHCVLGLBLV-UHFFFAOYSA-N 391.345 4.122 0 1 GIAF COc1ccc([C@H]2CC(=O)N(Cc3cccc(N)c3)C2)cc1OC1CCCC1 34820552 AJEUPSQDAZSQNO-SFHVURJKSA-N 380.488 4.115 0 1 GIAF Nc1nccc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)s2)n1 35826490 UZJHGGDNLWLNIC-UHFFFAOYSA-N 393.299 4.067 0 1 GIAF O=c1c(-c2ccc(O)cc2)coc2cc(OCCCCN3CCCC3)cc(O)c12 40976903 YIKYJZSJVNHXAV-UHFFFAOYSA-N 395.455 4.126 0 1 GIAF O=S(=O)(c1cccs1)N1c2cc(F)c(F)cc2-c2n[nH]cc2[C@@H]1C1CC1 43176067 VILRXGUHYYSGJD-KRWDZBQOSA-N 393.440 4.076 0 1 GIAF CCOc1ccc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2F)cc1 66148764 APHHLFBFWVOJET-LJQANCHMSA-N 379.435 4.218 0 1 GIAF CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCC3CC3)ncnc21 82180083 XTVZFIWTCVAJJI-AWEZNQCLSA-N 393.491 4.148 0 1 GIAF Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CN3C4CCC3CC4)ccc1C2=O 95556400 CTSJRKVVECGHGZ-UHFFFAOYSA-N 382.467 4.064 0 1 GIAF CCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccccc4)n3)ccc21 95755419 BWFRLVZXYPDHGS-UHFFFAOYSA-N 377.469 4.362 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4ccc5occc5c4)ccc31)[C@H]1CC[C@H](C2)N1 100632947 AUZWOAZSYDDIHT-RDTXWAMCSA-N 392.480 4.107 0 1 GIAF CN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(Cl)c2[nH]1 144253757 MSNVKDQUANKICU-UHFFFAOYSA-N 392.850 4.119 0 1 GIAF Cc1nn(Cc2ccc(NC(=O)c3ccccc3)cc2Cl)c(C)c1CC(=O)O 168924058 IINYXCMBBRHFBW-UHFFFAOYSA-N 397.862 4.081 0 1 GIAF CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3nccnc3c2)c1Cl 169312825 GTROKUYAAGLOHK-UHFFFAOYSA-N 394.859 4.318 0 1 GIAF CCO[P@](=O)(CC)c1cccc(Nc2cc(-c3cccc(N)c3)ncn2)c1 169346812 YSBBCYQVQXQJLZ-HHHXNRCGSA-N 382.404 4.429 0 1 GIAF CC[C@@H](C)c1nc2nc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc2nc1O 299883361 RFDRYDRHGZSAAJ-SJORKVTESA-N 391.519 4.267 0 1 GIAF CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2COc3c2cccc3C(F)(F)F)nc1 473096994 CQEBFARCIVYEHJ-LSDHHAIUSA-N 397.349 4.165 0 1 GIAF O=C(C[C@H](CO)c1cccc(OCc2ccccc2)c1)OCc1ccccc1 473160636 YVOTUGOPAZKAEW-JOCHJYFZSA-N 376.452 4.475 0 1 GIAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586962125 OPEHZKKXJOKLDG-LBPRGKRZSA-N 393.472 4.073 0 1 GIAF COc1cc(Br)c([C@@H](N)c2nc3ccc(Cl)cc3[nH]2)cc1OC 586974102 BGMBOTXMQPOHAC-OAHLLOKOSA-N 396.672 4.044 0 1 GIAF FC1(F)Oc2cc3nc(-c4ccnc(Cl)c4Br)[nH]c3cc2O1 586979852 XAJHABRAKGERFI-UHFFFAOYSA-N 388.555 4.362 0 1 GIAF O=C1C[C@H](Cc2nc3ccc(F)c(F)c3[nH]2)c2c(Br)cccc2O1 587003555 LZZOSTXLFOIVTJ-QMMMGPOBSA-N 393.187 4.239 0 1 GIAF O=C(O)c1cc(F)cc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587013446 WSDMLPMPWYVTDP-UHFFFAOYSA-N 382.214 4.164 0 1 GIAF Cc1ccc2nc([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)[nH]c2n1 587030944 KCZQCPMOEDUZBR-ZTFCMROMSA-N 385.518 4.393 0 1 GIAF Cc1onc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)c1COc1ccccc1Cl 587063489 OIKHFWAFCSUNCC-UHFFFAOYSA-N 395.806 4.341 0 1 GIAF COc1cc(Cl)cc(C=O)c1OCc1nc2c(Cl)cnc(Cl)c2[nH]1 587064622 DKXPPHTVYLKGGU-UHFFFAOYSA-N 386.622 4.318 0 1 GIAF CCOc1cc(/C=C\c2nc3ccc([C@@H](N)N=O)cc3[nH]2)ccc1OC(F)F 587130102 KCQXMRXTPRYCRT-MSEQUDFZSA-N 388.374 4.457 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Cl)nc(Cl)c3[nH]2)C(F)(F)C1 587133110 XMEKQEUEWGXABV-SSDOTTSWSA-N 393.221 4.234 0 1 GIAF O=C(/C=C\c1nc2cc(Br)cc(F)c2[nH]1)Nc1ccc(F)cc1 587167860 YXMPRFAHTGTHFV-WAYWQWQTSA-N 378.176 4.256 0 1 GIAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(C)c(F)ccc2[nH]1 587181506 SQBILMFIVUPHQD-MRVPVSSYSA-N 398.223 4.450 0 1 GIAF CN1CCN(c2ccc3nc(-c4cccc(Nc5ccc(O)cc5)c4)[nH]c3c2)CC1 587242425 LIPNTZNPZSZAFD-UHFFFAOYSA-N 399.498 4.431 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(CNC(=O)OC(C)(C)C)cc1)O2 587387356 PKZNIRSDWCEJPM-IBGZPJMESA-N 382.460 4.308 0 1 GIAF COC(=O)c1ccc(-c2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 587394473 VXSYJKDWPZGHNC-OAQYLSRUSA-N 388.423 4.132 0 1 GIAF CCN(CC)Cc1cc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587427799 GDXYZHFISVICKA-NTKDMRAZSA-N 395.499 4.208 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c1ccc(Cl)c2Cl 587463718 XMNWDQGRAPJZQS-LJQANCHMSA-N 392.238 4.464 0 1 GIAF CN(C)Cc1csc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587615822 ZBKTVGDPNZEVHV-NQIIRXRSSA-N 381.453 4.218 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3[nH]cnc(Cl)c2-3)N1 587705736 OHOXTMYBSDPYFY-NXSYQRQQSA-N 395.663 4.088 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(C(=O)O)c2)N1 587714244 DXLKZGFIGXQBMQ-BCTVWOGZSA-N 382.204 4.049 0 1 GIAF COC(=O)c1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587721969 XGVKOQKDDNDDMZ-XYZCENFISA-N 396.231 4.138 0 1 GIAF CC(=O)Nc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587746217 YZZYLVFMOACQSR-WLRWDXFRSA-N 391.284 4.344 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCNC(=O)OC(C)(C)C)N1 587751959 CGCGROXOISMFEF-GWCFXTLKSA-N 387.293 4.078 0 1 GIAF CCN[C@H](C)[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587756626 RMGQNBUYCLMNNJ-MNVSYLFESA-N 391.328 4.364 0 1 GIAF CCOC(=O)CC[C@]1(C2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587799679 UEYCOBBUXOOZRN-ADLMAVQZSA-N 384.289 4.071 0 1 GIAF CCOC(=O)[C@]1(C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587800418 WXLAQFFUEBEKBN-CWTRNNRKSA-N 398.316 4.461 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CCn1cc(C)cn1 587860162 NMSASBKUYFVWDL-UHFFFAOYSA-N 393.274 4.491 0 1 GIAF COC(=O)c1cccc2[nH]c(-c3ccc(C(=O)c4cccc(OC)c4)cc3)nc12 587931985 QIFJUCOORAZHQV-UHFFFAOYSA-N 386.407 4.256 0 1 GIAF COCCCN1CCc2ccc(OC)cc2[C@]1(C)[C@H](C)CCCCC(=O)OC 961319315 HPKPOHSQALMQJN-JPYJTQIMSA-N 391.552 4.175 0 1 GIAF CCOC(=O)Cc1ccc([C@@]2(C)N[C@H](CC)Cc3c2[nH]c2ccccc32)cc1 962962580 YBZZAEFRWXNQOV-HOYKHHGWSA-N 376.500 4.461 0 1 GIAF Cc1sc2c(c1C)CCN[C@@H]2c1cn(-c2ccc(Cl)cc2Cl)nn1 963015418 BEKKWJSIEKXUJC-MRXNPFEDSA-N 379.316 4.488 0 1 GIAF Cc1cn(CC(=O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@](C)(O)CC[C@@H]5[C@H]4CC[C@]23C)nn1 1772590534 NIRYQCLETDJFCI-DZXZBOGNSA-N 399.579 4.175 0 1 GIAF C[C@@H]1C(=O)CC[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)[C@H](C)C[C@H](O)[C@]12C 2356781344 BAEWDDGFBMCGCK-SCGNTQFASA-N 398.499 4.200 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26388476 UVYBXVJYKDNRLY-YYMZYNAXSA-N 386.580 4.460 0 1 GIAF O=C(CCCN1CCC(O)(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 39546106 JJNHTXUTHLHINR-UHFFFAOYSA-N 375.871 4.426 0 1 GIAF Nc1nc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2[nH]1 40810735 HEDQZPBJLZAQTC-UHFFFAOYSA-N 393.859 4.226 0 1 GIAF CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1 82214702 SIMLMNGLBNNXJE-HDICACEKSA-N 380.536 4.354 0 1 GIAF Nc1ccccc1NC(=O)c1ccc(NCC(=O)Nc2cccc(Cl)c2)cc1 84704677 RWDJWBRYSCCRPG-UHFFFAOYSA-N 394.862 4.225 0 1 GIAF CS(=O)(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2F)cc1 95563626 YWJRVCMASXAQPU-HXUWFJFHSA-N 396.443 4.000 0 1 GIAF CC(C)(C(=O)Nc1nncs1)[C@@H](c1ccccc1)c1ccc2[nH]ncc2c1 96283990 QVPPKBMLWHQBMA-KRWDZBQOSA-N 377.473 4.211 0 1 GIAF O=C(Nc1ccc(F)cc1)c1ccc(SC[C@@H]2COc3ccccc3O2)nc1 144985858 LVCSIAVXIQAJKU-KRWDZBQOSA-N 396.443 4.405 0 1 GIAF CC1(C)OC[C@H]([C@]2(C)C=C3CC[C@H]4[C@@](C)(C[C@H](O)C[C@@]4(C)CO)[C@@H]3CC2)O1 299834056 RFVIIASIYASSNN-ALGKDEKDSA-N 378.553 4.050 0 1 GIAF Cc1[nH]c2c(c1C(=O)O)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586990604 ZRNUDJMNCHGLEB-UHFFFAOYSA-N 396.402 4.252 0 1 GIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2ncc(C(F)(F)F)cc2[nH]1 587148056 YQMJGPXYLMJEOS-UHFFFAOYSA-N 379.292 4.322 0 1 GIAF CN(C)c1ncccc1-c1nc2cc(Br)c(Br)cc2[nH]1 587196520 YUILTEKDZSTICL-UHFFFAOYSA-N 396.086 4.216 0 1 GIAF CC(C)(C)OC(=O)C1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347734 MNONCDVNORYIHS-JIMJETOSSA-N 398.430 4.381 0 1 GIAF CCOC(=O)C[C@]1(C2(C)CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350353 RTVNHVRJNJAOMT-REWPJTCUSA-N 398.430 4.382 0 1 GIAF CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587401790 YLKBRWYQNQWZCY-WVMBUTMQSA-N 393.483 4.428 0 1 GIAF COc1cc2c3c(c1)O[C@H](C1(c4cccc(Cl)c4)CCOCC1)[C@@H](C2)C3=O 587419228 KIUUPZZLLMRSAS-UWJYYQICSA-N 384.859 4.213 0 1 GIAF COc1ccc(-c2noc(C)c2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587436506 PYQRKYNODWAPIN-OPAMFIHVSA-N 377.396 4.156 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(C)cc41)[C@@H](C2)C3=O 587447188 MXKUDAHXIYRHFC-NBGIEHNGSA-N 382.415 4.239 0 1 GIAF CCCc1c(O)ccc2c1O[C@](Cc1nccn1C)(c1ccccc1)CC2=O 587471533 SXWQTLOTLZFEBG-HSZRJFAPSA-N 376.456 4.182 0 1 GIAF COc1ccc(F)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567719 BIGOPBSZBMYILK-DENIHFKCSA-N 380.371 4.417 0 1 GIAF Cn1ncc2ccc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587584238 ZBRPYHIQNPMKEN-OFNKIYASSA-N 386.407 4.156 0 1 GIAF CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587597234 QDVMWCNAVBYPCQ-UGKGYDQZSA-N 378.380 4.199 0 1 GIAF CCOC(=O)C1(C)CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587598420 UQQVVJKZLFWYDM-NWLLBJEDSA-N 396.439 4.236 0 1 GIAF Cc1cc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)c(C)o1 587650090 WGXFNWIMRBZHTM-UHFFFAOYSA-N 385.363 4.193 0 1 GIAF CCCC(=O)n1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O 587671876 SVJRSAUSVRJMLB-UHFFFAOYSA-N 380.444 4.301 0 1 GIAF CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587800918 HYEDVJWJLMUALL-XTZNXHDOSA-N 380.257 4.316 0 1 GIAF Cc1cc(C(=O)O)sc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587846657 VIZSLYCNSOFOBP-CLAHSXSESA-N 384.270 4.280 0 1 GIAF COc1ccc(OC)c(-c2nc3ccc(Br)c(F)c3[nH]2)c1OC 587924933 CGEBMMLRVYZIFL-UHFFFAOYSA-N 381.201 4.157 0 1 GIAF CCOC(=O)[C@@]1(CC(=O)c2ccccc2Cl)NCCc2c1sc(C)c2C 963016168 XPGMJPINIFXJFV-FQEVSTJZSA-N 391.920 4.195 0 1 GIAF COc1ccc2nc(NC(=O)c3ccc([C@H](O)c4ccccn4)cc3)sc2c1 1911572130 NEGZXHWGOCEDFT-IBGZPJMESA-N 391.452 4.034 0 1 GIAF Cc1cc2nc(CO[C@H]3CN(Cc4ccc(F)c(F)c4)C[C@@H]3F)[nH]c2cc1C 2356299655 KVKLTXXMQYSFHZ-PXNSSMCTSA-N 389.421 4.197 0 1 GIAF CC(=O)Nc1ccc(CN2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)cc1 12429423 YMEOFWWOQLDBOV-QFIPXVFZSA-N 386.923 4.116 0 3 GIAF O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1ccsc1 774995 LXJAOERXBBLWAX-HZPDHXFCSA-N 386.448 4.243 0 1 GIAF CCCCCCC1=NOC[C@]1(C)C(=O)NCCc1ccc(OC)c(OCC)c1 4295131 GJVQYKWGPCNWRU-QFIPXVFZSA-N 390.524 4.116 0 1 GIAF O=C1c2ccccc2C(=O)N1CCCCN1[C@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2 12356341 ZFVCOZSVRXMIIP-KSFYIVLOSA-N 399.494 4.306 0 1 GIAF O=C1O[C@H](c2ccccc2)[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 26002816 QVYDQESMDIQWLK-SJLPKXTDSA-N 390.226 4.389 0 1 GIAF CC(C)[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27560047 ZQEQWMYZGWMOFY-QHCPKHFHSA-N 394.515 4.431 0 1 GIAF C[C@@H](O)CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)CC1 28527829 BNZXWZGNVGNTIB-MRXNPFEDSA-N 379.479 4.443 0 1 GIAF Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cc(F)cc(F)c4)cc3)c12 29129480 MTKFUVIQMSFJNU-UHFFFAOYSA-N 380.358 4.129 0 1 GIAF COC(=O)[C@H](COC(C)(C)C)NC/C=C/c1cccc(Oc2ccccc2)c1 29569872 LDWHTABJRZPCHM-ZUURVNMSSA-N 383.488 4.438 0 1 GIAF C/C=C/c1ccc(O[C@H](C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 40872290 UWSPBGKTPVZWIB-HSBSLETESA-N 386.444 4.404 0 1 GIAF COc1ccc(N[C@H]2N(OC)c3ccccc3[C@@]23CN=C(SC)S3)cc1 40875340 SUQUNFPUVDKWFK-HKUYNNGSSA-N 387.530 4.176 0 1 GIAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82136375 FTLKSZLFZTTWRC-HNAYVOBHSA-N 382.483 4.191 0 1 GIAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)C1 82140787 OEMRIFYMRKKLQK-CALCHBBNSA-N 396.510 4.391 0 1 GIAF CC(C)c1nc2c(NCc3cccc(F)c3)ncnc2n1CC[C@@H]1CCCN1C 82184656 YAKFLHCTQYWFAG-SFHVURJKSA-N 396.514 4.185 0 1 GIAF Cc1ccccc1-c1ccc([C@H]2[C@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 95876973 VXYWKBKVONATQO-KKUQBAQOSA-N 390.571 4.297 0 1 GIAF c1cnc(O[C@H]2CCN(c3nccc4ccccc34)C2)c(C2CCOCC2)c1 96168976 ZOHPJLHAXGUWBE-IBGZPJMESA-N 375.472 4.182 0 1 GIAF FC(F)(F)c1cccc(NCCNc2nc(-c3ccccn3)ncc2Cl)n1 96907600 URCHDDMMUOYQSI-UHFFFAOYSA-N 394.788 4.130 0 1 GIAF CCN(C(=O)CCN1C[C@H](C)[C@@]2(C)C[C@H]1Cc1ccc(O)cc12)c1ccccc1 101365324 UDQSZJJRSSSWTO-NXQMDHLFSA-N 392.543 4.360 0 1 GIAF COC(=O)c1sc(-c2ccc(CC(C)C)cc2)cc1NC(=O)CCC(=O)O 102548129 FLNDWUWCJLPREP-UHFFFAOYSA-N 389.473 4.204 0 1 GIAF O=C(Cc1c(Cl)ccc(C(F)(F)F)c1Cl)N[C@@H]1COc2ncccc21 145057665 MPCDYUQZDFKMCE-GFCCVEGCSA-N 391.176 4.200 0 1 GIAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc(Cl)c(Cl)c1 218929628 GNCPHOPYEIRQID-UHFFFAOYSA-N 388.210 4.088 0 1 GIAF CCCOc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1 299829538 VSLMTCQATYFISV-UHFFFAOYSA-N 390.439 4.406 0 1 GIAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc([C@@H]2C[C@@H]3CC[C@H]2C3)n1 299860118 ZXYQTBFFNMTFGT-UKBAYJJMSA-N 381.476 4.106 0 1 GIAF S=C(Nc1ccccc1)N1CCN(C(=S)SCc2ccccc2)CC1 299865595 NXLKONDVLDDVPD-UHFFFAOYSA-N 387.599 4.219 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586888645 WYDQATXYVAVDJQ-KUHUBIRLSA-N 383.245 4.395 0 1 GIAF O=S(=O)(Cc1ccccc1-c1nc2ccc(Cl)nc2[nH]1)c1ccccc1 586921178 DZZGYEZISZTJSY-UHFFFAOYSA-N 383.860 4.252 0 1 GIAF CCOC(=O)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979632 SFGFZOSLXQDGJX-UHFFFAOYSA-N 380.629 4.218 0 1 GIAF Cc1cc2[nH]c(Cc3csc(NC(=O)Nc4ccccc4)n3)nc2c(C)n1 587019116 GQRWBKQWMNLMIT-UHFFFAOYSA-N 378.461 4.266 0 1 GIAF Cc1cnc(Cl)c2[nH]c(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)nc12 587043163 PQLFVDJIKBJOPY-NSHDSACASA-N 379.272 4.229 0 1 GIAF FC(F)(F)c1cccc(-c2nc3cc(I)cnc3[nH]2)c1 587113607 QMEVZPUVQLHDFC-UHFFFAOYSA-N 389.118 4.248 0 1 GIAF FC(F)(F)c1nn(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c2c1CCCC2 587120291 WKNYYPURKZUFGJ-UHFFFAOYSA-N 390.196 4.407 0 1 GIAF Cc1c(Br)ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 587173112 VZNJRHFTTXTOSY-GOSISDBHSA-N 389.224 4.401 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(N3CCC[C@H](C)C3)ccc1N)O2 587396510 SZTZPEMWTRONLV-PSLXWICFSA-N 379.504 4.276 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(F)c(F)c1)CC2=O 587466170 KEJWHCFUMRIPJU-OAQYLSRUSA-N 390.382 4.047 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2ccc(N)cc21 587472542 JKDIGBSDDNPDHY-VWLOTQADSA-N 399.446 4.380 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](C(=O)c1ccc(OCC)c(OCC)c1)CC2=O 587478327 IYTVYACBRJHGLK-OAQYLSRUSA-N 398.455 4.359 0 1 GIAF C[C@]1([C@H](N=O)C(=O)Nc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511264 JPKYXXYOJSKPDO-IFMALSPDSA-N 378.428 4.063 0 1 GIAF Cn1cc2cccc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2n1 587581791 MUGKWSLKHCIMIJ-CVDCTZTESA-N 386.407 4.156 0 1 GIAF Cc1ccc2nc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cn2c1 587771085 BKFFJQGBQUSGJE-BLVKFPJESA-N 388.284 4.342 0 1 GIAF COC(=O)c1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587812549 ZPJQGWIQVMXWGT-WYRIXSBYSA-N 392.268 4.173 0 1 GIAF CCOC(=O)c1ccsc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587844089 LZPRXFOZPNCLDU-VFZGTOFNSA-N 398.297 4.450 0 1 GIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Br)ncc2[nH]1 587926021 GBYYLQCVHDVLNR-NSHDSACASA-N 376.254 4.280 0 1 GIAF CCO/C=C\[C@@]1(C(F)(F)F)NC2(CC2)Cc2ccc(Br)cc21 961319391 IDRRCTPDTIDXGK-ZPIQOJFGSA-N 376.216 4.435 0 1 GIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2nc(-c3ccc(Cl)cc3)cs2)N1 962924592 UCSPKKRSNOVPIM-DOTOQJQBSA-N 388.851 4.291 0 1 GIAF Cc1ccn(-c2ccc(C(=O)N3CCCC(=O)c4ccccc43)c(Cl)c2)n1 1857645225 CSUVIYPWZHXAHY-UHFFFAOYSA-N 379.847 4.457 0 1 GIAF CCOc1ccccc1C1=NOC[C@@]1(C)C(=O)NCc1ccc(C(C)(C)C)cc1 770856 FTIIGPQUPFTYKU-XMMPIXPASA-N 394.515 4.440 0 1 GIAF COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)cc1OC1CCCC1 13737016 IOHIGXZNGBFEFK-UHFFFAOYSA-N 397.258 4.209 0 1 GIAF CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1)CC(=O)O 26152622 GUZNPRZPHMSJJC-KRWDZBQOSA-N 385.357 4.371 0 1 GIAF Cn1c(=O)oc2c(N3CCN(Cc4cccc(-c5ccccc5)c4)CC3)cccc21 26398648 CUMDYMGWFWPPEV-UHFFFAOYSA-N 399.494 4.121 0 1 GIAF O=C(CCCn1c2c(c3ccccc31)C(=O)CN1CCCC[C@@H]21)NC1CCCC1 29222427 BRUVTZPNTGAZES-FQEVSTJZSA-N 393.531 4.204 0 1 GIAF Cc1ccc(C2=NN(c3nc4ccccc4c(=O)n3C)[C@@H](c3ccco3)C2)cc1 40865428 JYNQYMFNROMDJI-HXUWFJFHSA-N 384.439 4.191 0 1 GIAF CN(C)c1ccc(-c2nnc(-c3ccc(I)cc3)o2)cc1 45392318 DQBPGZXXICPELN-UHFFFAOYSA-N 391.212 4.074 0 1 GIAF COc1cccc(COc2c(-c3ccccc3)oc3cc(O)cc(O)c3c2=O)c1 64744321 BSMUJDMIZYLHQW-UHFFFAOYSA-N 390.391 4.459 0 1 GIAF CC(C)c1nc2c(NCc3ccc(Cl)cc3)ncnc2n1C[C@@H]1CCCO1 82185194 MUNVORVVUWSDEU-INIZCTEOSA-N 385.899 4.394 0 1 GIAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2C2CCCC2)C1 95565448 ZPICKEYZORWSOS-UHFFFAOYSA-N 398.816 4.264 0 1 GIAF O=C(O)Cc1ccc(Oc2nc(-c3cccc(Cl)c3)nc(C3CC3)n2)cc1 143479060 YBHOYVMHRZSBOP-UHFFFAOYSA-N 381.819 4.489 0 1 GIAF CCCCC[C@](C)(O)/C=C/[C@@H]1[C@H](O)C[C@@H]2OC(=O)C(F)(F)CC/C=C/C[C@@H]21 169290097 JDUYYVZXUCCOCQ-FCUMZNSCSA-N 386.479 4.158 0 1 GIAF CCN1C/C(=C\c2ccccc2F)C2=NC(=S)N[C@H](c3ccccc3F)[C@@H]2C1 169730322 YWHIVJAXFRWJPG-PASBJYMKSA-N 397.494 4.370 0 1 GIAF Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1O[C@H](C)C(F)(F)F 222420540 YQOPMWZYUDDIAP-PSASIEDQSA-N 390.365 4.067 0 1 GIAF N[C@@H]1CN(c2ccnc(-c3ccsc3)n2)C[C@H]1c1ccc(Cl)cc1Cl 253660144 PJWKDMOHPZSOHK-GOEBONIOSA-N 391.327 4.443 0 1 GIAF Oc1cccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586966745 QXDJAARAWBPWQG-UHFFFAOYSA-N 377.473 4.078 0 1 GIAF NC(=O)c1cccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586974950 HTTJNCWCJPYNGD-UHFFFAOYSA-N 385.048 4.398 0 1 GIAF Cc1ncc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(C)c1Br 586979023 OEPQSSAMFFTSRQ-UHFFFAOYSA-N 382.164 4.326 0 1 GIAF N[C@@H](Cc1cccc(Br)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 586983453 CQCZEVKWRAGGPL-JTQLQIEISA-N 386.080 4.270 0 1 GIAF CC(=O)c1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 587019453 NNCLELSOZDFUCM-UHFFFAOYSA-N 391.456 4.457 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cnccc3[nH]2)c1 587049964 KTJACEXSLDHQJI-VOTSOKGWSA-N 383.839 4.002 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2c1 587076268 TZIISRAATGWJQB-UHFFFAOYSA-N 394.862 4.483 0 1 GIAF CN1CCN(c2ccc3nc(-c4cc(Cl)nc5ccccc45)[nH]c3c2)CC1 587085157 MHDSVEUPXDZSTH-UHFFFAOYSA-N 377.879 4.183 0 1 GIAF O=C(NCc1nc2c(Cl)cnc(Cl)c2[nH]1)c1cccc(C(F)(F)F)c1 587110815 CQJDEEPZKDXTFP-UHFFFAOYSA-N 389.164 4.214 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c([C@H](C)Oc3ccc(F)cc3)nc2c1 587168761 LJVVHNKYBALRBT-VIFPVBQESA-N 393.212 4.391 0 1 GIAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(Br)nc2[nH]1)C1CCCC1 587225878 NJPCQZWWDNZIQV-ZDUSSCGKSA-N 395.301 4.476 0 1 GIAF Oc1ccc(Nc2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)cc1 587241745 HNUCHXRLQAZUFQ-UHFFFAOYSA-N 382.221 4.183 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(I)c1)O2 587387503 STTQZFBHGYUSFS-KRWDZBQOSA-N 393.224 4.062 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(OC)ccc4ccc(OC)cc14)[C@@H](C2)C3=O 587442239 KLJYCKZWXOPZDJ-SBUREZEXSA-N 376.408 4.354 0 1 GIAF C[C@]1(c2scc3c2OCCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614227 RUFTWEDALOBRJE-KKSFZXQISA-N 396.420 4.102 0 1 GIAF C[C@@]1(c2c(N)sc3c2CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587618181 NNLVDUFBNROHHP-GCJKJVERSA-N 393.464 4.402 0 1 GIAF CC(=O)Nc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587741190 GGUOFRAIYLBZLF-YPMLDQLKSA-N 377.257 4.170 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2[C@@H]2CCCCO2)N1 587759469 LCOGVGBYVRBDQB-CNOZUTPLSA-N 394.288 4.107 0 1 GIAF CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587800920 HYEDVJWJLMUALL-YPMLDQLKSA-N 380.257 4.316 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccsc2C(=O)O)N1 587844367 NKSLFUBIFIZUFD-PWJLMRLQSA-N 384.270 4.146 0 1 GIAF COC(=O)c1cc2nc(CC[C@@H](C)CC(=O)O)[nH]c2c(F)c1Nc1ccccc1 587962298 DATISWVYQUQVPQ-GFCCVEGCSA-N 399.422 4.276 0 1 GIAF COc1cc2c(cc1OC)[C@H]([C@H]1CCN(Cc3ccccc3)C1)N(C)[C@@H](C)C2 962645314 ZJSHLLZRKLETPL-KDLAUNOPSA-N 380.532 4.143 0 1 GIAF CCOC(=O)C[C@]1(CC(F)(F)F)c2cccc(Br)c2CCN1C 963282115 VQFWWFWFMPDIQA-HNNXBMFYSA-N 394.231 4.038 0 1 GIAF O=C(NC1CCCCCC1)c1cc(-c2ccccc2)nn(C2CCCC2)c1=O 1772578323 IAVWAJLRGCFZOV-UHFFFAOYSA-N 379.504 4.478 0 1 GIAF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=C/C(=O)NCCc1ccccc1 1857568864 USRKRKRKWWXMRO-ZHACJKMWSA-N 396.874 4.370 0 1 GIAF CS(=O)(=O)c1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CCCC1 1857746242 BLHFRERRAVRFPX-UHFFFAOYSA-N 387.888 4.266 0 1 GIAF CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NC[C@@H](O)CC 773476 RXOBIUPJBAPPGM-INIZCTEOSA-N 398.434 4.047 0 1 GIAF O=[S@@](Cc1cc(OCc2ccc(F)cc2)ccn1)c1nc2cscc2[nH]1 13448744 QPFWKHWHVRRWIO-AREMUKBSSA-N 387.461 4.045 0 1 GIAF O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5cccs5)c4)CC3)c2o1 26401277 OGTUTKKBESFZFI-UHFFFAOYSA-N 391.496 4.172 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29405279 GNWBLLYJQXKPIP-FRTLKMCASA-N 388.596 4.334 0 1 GIAF COc1ccc(C2=C(c3ccc(SC)cc3)C[C@H]3CCCN3C2=O)cc1O 29407043 ZYKOFNPJNQBFJK-MRXNPFEDSA-N 381.497 4.428 0 1 GIAF O=C(Nc1ccc(Cl)cc1)N1CCN(c2nc(-c3ccccc3)ns2)CC1 34837401 HDNSJQIFULZWDG-UHFFFAOYSA-N 399.907 4.213 0 1 GIAF CC1(C)CC[C@@H]2Nc3ccnn3[C@@H](c3ccc(F)c(Br)c3)[C@H]2C1=O 40723436 MJPBFWJRPNCFTK-BPUTZDHNSA-N 392.272 4.174 0 1 GIAF O=C(c1ccc2ccccc2c1)[C@@H]1NS(=O)(=O)c2ccc(Cl)cc2S1 40873452 FARANSPYYSFHIT-GOSISDBHSA-N 389.885 4.086 0 1 GIAF Cn1c(CC(=O)NCc2ccc(F)cc2Cl)cnc1-c1ccc(F)cc1F 72109116 ZOCGKPIVRNNENX-UHFFFAOYSA-N 393.796 4.017 0 1 GIAF CCCCNC(=O)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(C)C 82082424 ODFHXAFSMCSHQQ-HXUWFJFHSA-N 393.487 4.166 0 1 GIAF COC(=O)N(OC)c1ccccc1COc1ccc2c(C)c(C)c(=O)oc2c1C 103187091 RSTMKZZZWMHSPN-UHFFFAOYSA-N 397.427 4.431 0 1 GIAF CN1C/C=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cc(N)cc(c2)C1 137319253 JCRCSNBABSGPEN-IHWYPQMZSA-N 387.487 4.240 0 1 GIAF CN(C)c1cc[n+](CCCCCCCCCC[n+]2ccc(N(C)C)cc2)cc1 169325986 HSWDCJNYCQGCHC-UHFFFAOYSA-N 384.612 4.215 0 1 GIAF CN(C(=O)Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 299829992 NJJWGPHNCUVNRD-UHFFFAOYSA-N 391.311 4.204 0 1 GIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(Br)c(O)c2[nH]1 586962209 CBMGHPNVPJKAHW-SNVBAGLBSA-N 395.282 4.078 0 1 GIAF Cc1ccc(NC(=O)CSCCc2nc3cnc4ccccc4c3[nH]2)cc1 586970232 IVXJGCDNVFNSQW-UHFFFAOYSA-N 376.485 4.334 0 1 GIAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(F)c(F)ccc2[nH]1 586999922 KMERBXRDBMLPNN-UHFFFAOYSA-N 393.143 4.083 0 1 GIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(Cl)ncnc2[nH]1 587035314 UZQZUZFQGUWMMY-NSHDSACASA-N 385.880 4.492 0 1 GIAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587075843 NIZYQXIYIIYDEE-UHFFFAOYSA-N 379.851 4.079 0 1 GIAF Cc1ccnc2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc12 587231629 CTUVMZBIUAWEMW-UHFFFAOYSA-N 379.464 4.230 0 1 GIAF CCOc1ccc(-c2n[nH]cc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F 587425915 HWWZKQDLKRNTSI-JLCFBVMHSA-N 394.402 4.112 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O 587442921 ZVLVIXJJZSTBBE-UUOWRZLLSA-N 386.451 4.453 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(NC(=O)OC(C)(C)C)CC2)N1 587741681 HYSMDHXBIPSMOR-MEBBXXQBSA-N 399.304 4.221 0 1 GIAF CC[C@]1(c2c(C)nn(C)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756409 KSDPSZFFNWPOBB-YPMLDQLKSA-N 380.305 4.126 0 1 GIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587805824 HWMNRFWFFIZQFV-JEOXALJRSA-N 394.284 4.403 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc4c(c32)CCO4)N1 587836910 YRPRYBULWUTBMJ-GIPWTMENSA-N 388.280 4.247 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1nncc(-c2ccc(CC)cc2)n1 587872360 WDXNTSQCCQSNNY-UHFFFAOYSA-N 389.434 4.492 0 1 GIAF COc1c(Cc2ccccc2)cc(O)n1-c1cc(C)n(Cc2ccccc2F)n1 587946305 UVXNCBYXLOVUMY-UHFFFAOYSA-N 391.446 4.475 0 1 GIAF CN1c2ccc(F)cc2C(=O)N2CCn3c(cc4cc(OC5CCC5)ccc43)[C@@H]21 1857567316 SKRHAMKDRRMOHX-JOCHJYFZSA-N 391.446 4.316 0 1 GIAF Cc1ccccc1N1CCC(OC(=O)NCSCc2c(C)noc2C)CC1 1857597062 OJXNVQDAMPVJSW-UHFFFAOYSA-N 389.521 4.186 0 1 GIAF C[C@H](CC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356855071 QYYDXDSPYPOWRO-LPGQAHKQSA-N 378.553 4.088 0 1 GIAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(C3CC3)nc12 578682 SLPPCYGGTCSDJX-UHFFFAOYSA-N 377.231 4.403 0 1 GIAF C[C@]12C[C@@H](NC(=O)N1c1ccc(F)cc1)c1cc(Br)ccc1O2 2498616 SVXUDUAQUJQQKY-PBHICJAKSA-N 377.213 4.358 0 1 GIAF CN1CCC(C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CC1 13559937 DVCYUACFNQICAO-UHFFFAOYSA-N 394.566 4.001 0 1 GIAF COc1ccc(-c2nccs2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22444393 IEOZIHFWECPTLH-FPOVZHCZSA-N 379.529 4.402 0 1 GIAF CCCCCN1CCC[C@@H](CNC(=O)CSc2nc3ccccc3s2)C1 28231269 LMWUOMAZQPYQFX-INIZCTEOSA-N 391.606 4.407 0 1 GIAF CC(C)CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccncc3)=NN12 38147843 IQWJWMITZOKUAX-NRFANRHFSA-N 376.504 4.073 0 1 GIAF Cc1cccc(SC[C@@H](C)CN[C@@H]2COc3ccccc3SC2)c1CO 42920487 WHWWEGVJYSAYKJ-DOTOQJQBSA-N 389.586 4.358 0 1 GIAF O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O[C@@H]3CCCCO3)ccc12 45315690 CWAZAGRXMZZYNQ-OAQYLSRUSA-N 380.396 4.137 0 1 GIAF O=C(c1ccc(F)cc1Cl)N1CCN(c2cccc3ccccc23)C(=O)C1 59275499 GZHSQMQLHRZWOF-UHFFFAOYSA-N 382.822 4.121 0 1 GIAF COc1ccc(-c2nnc(SCc3ccc(Cl)nc3)o2)c(OC)c1OC 64453758 XNMGBIXWRHKXNI-UHFFFAOYSA-N 393.852 4.103 0 1 GIAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82136372 FTLKSZLFZTTWRC-BEFAXECRSA-N 382.483 4.191 0 1 GIAF CCCCCc1nc(-c2cnc(N3CCC(O)CC3)nc2-c2ccco2)oc1C 82165880 GPGICDCYUUGLDL-UHFFFAOYSA-N 396.491 4.394 0 1 GIAF CCN1CCN(Cc2ccc3c(c2)[C@@H]2N=NC(c4cccc(OC)c4)=C2C3)CC1 87612893 LFYZXUHXVPNYLH-DEOSSOPVSA-N 388.515 4.307 0 1 GIAF Cc1cccc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12 88345632 UMBOVTDDENNROQ-OAHLLOKOSA-N 396.454 4.139 0 1 GIAF O[C@H]1CCN(Cc2ccc(F)cc2)C[C@@H]1N1[C@H]2CC[C@H]1CC(c1ccccc1)C2 100799549 NFSPGABTRZUJES-QORCZRPOSA-N 394.534 4.172 0 1 GIAF Fc1ccc(CCNc2cn3c(-c4ccc(OC(F)F)cc4)nnc3cn2)cc1 103303411 GVXYAEXVJYZTBB-UHFFFAOYSA-N 399.376 4.186 0 1 GIAF CC(C)Cn1c(-c2ccc(F)cc2Cl)c(Cl)nc(-n2cccn2)c1=O 148134373 YMLCYQOZPMIJHT-UHFFFAOYSA-N 381.238 4.198 0 1 GIAF Cc1cc2cc(-c3nc4ccc(-c5nn[nH]n5)cc4nc3N(C)C(C)C)ccc2[nH]1 201824008 QLQJWCGAOLQUDX-UHFFFAOYSA-N 398.474 4.111 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2c(Cl)cnc(Cl)c2[nH]1 586915605 GCXHVAAWBKJMHN-ADLMAVQZSA-N 376.243 4.481 0 1 GIAF FC(F)(F)c1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005838 VRXQGWKSWMMAAW-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3NC)[nH]c2c1 587066677 QUZZTTQIFQZAHK-UHFFFAOYSA-N 392.912 4.003 0 1 GIAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587093374 DBJVDKUCTGRIFQ-YFKPBYRVSA-N 389.683 4.245 0 1 GIAF CCOC(=O)C(F)(F)[C@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587103690 JPHDSVKWLNEUOP-GFCCVEGCSA-N 393.389 4.359 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(C)cnc4[nH]3)cc2F)c1 587143860 MFJOYBBDTLYYCY-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF CC(=O)N[C@H](Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)c1ccc(C)cc1 587217526 XAVBHVVLPJGKMM-JOCHJYFZSA-N 399.498 4.123 0 1 GIAF COc1cc2c(cc1Br)CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587370073 BEWFZBCRYWZDAO-LJQANCHMSA-N 388.261 4.155 0 1 GIAF CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Br 587412601 JCXXSFARAWSBGD-YJYMSZOUSA-N 389.245 4.345 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC(F)(F)F)cc1)[C@@H](C2)C3=O 587421771 ROCVLUPPAVFBNA-HNAYVOBHSA-N 378.346 4.299 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4ccc(F)cc4CCc4ncccc41)[C@@H](C2)C3=O 587427189 HOGRWLRTZBZWPK-YADARESESA-N 387.410 4.019 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cccc(N)c21 587472779 MVFXDPDUJCMFCH-VWLOTQADSA-N 399.446 4.380 0 1 GIAF CC(=O)OC[C@]1(c2ccc(F)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509181 XMMPXUYEXUCXJO-QFIPXVFZSA-N 386.394 4.267 0 1 GIAF CC(C)(C)OC(=O)NCC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572842 RGKDDDIMZMFWFY-VGOFRKELSA-N 399.443 4.027 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(Cc2ccccc2)n1 587581441 LFSMFZNWJHVWMS-XUZZJYLKSA-N 398.418 4.340 0 1 GIAF Cc1ccc2nc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[nH]c2c1 587588815 LSVNYODCIPUMRY-XXBNENTESA-N 386.407 4.454 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nnc(C(F)(F)F)s1 587658932 VISWJLCLMYJUNC-UHFFFAOYSA-N 392.337 4.062 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2ccc(F)c(F)c2)N1 587725290 ORGBHGMUEISUJV-VPTHRUTESA-N 384.195 4.325 0 1 GIAF CC(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587746218 YZZYLVFMOACQSR-WYRIXSBYSA-N 391.284 4.344 0 1 GIAF CCOC(=O)C1(C)CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587795384 IQULGOWKNFQPPL-PIHIASKNSA-N 398.316 4.461 0 1 GIAF COC(=O)c1ccc(COc2ccccc2[C@@H]2NCCc3ccc(F)c(C)c32)o1 962144392 KJWDBAPXXHQYHX-QFIPXVFZSA-N 395.430 4.328 0 1 GIAF CC(C)CCOC(=O)[C@@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962639290 PYQNLRVCBVGIQR-RCZVLFRGSA-N 392.543 4.238 0 1 GIAF Cc1cccc(C)c1[C@@]1(CC(C)(C)C(=O)O)c2ccsc2CCN1C(N)=O 962701428 AQAIIMCPPBFMAN-OAQYLSRUSA-N 386.517 4.046 0 1 GIAF Cc1cc(C)cc([C@]2(c3ccnc(C)c3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963015971 BOEHVHGWJHYJIF-SIBVEZHUSA-N 397.522 4.352 0 1 GIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)OC(C)(C)C)c2cn1)c1ccccc1 1772571894 CDWSPGMQGZXDND-GFCCVEGCSA-N 396.451 4.188 0 1 GIAF Cc1ccc(F)c(-c2cc(Nc3ccnc4cn(C[C@@H](C)O)nc34)c(C)cn2)c1 1772584594 VYMNGUXXARQKJB-OAHLLOKOSA-N 391.450 4.374 0 1 GIAF Cc1cc(N2CC[C@]3(CCN([C@@H](C)c4cc5ccccc5n4C)C3)C2)nc(C)n1 1857562795 GJHZMSUVYCJCRY-UUOWRZLLSA-N 389.547 4.249 0 1 GIAF Cc1cccc(C2=NN(C(=O)Cc3cccc(Cl)c3)[C@@](O)(C(F)(F)F)C2)c1 1857750613 JJCGVSXFYREHEU-SFHVURJKSA-N 396.796 4.078 0 1 GIAF CC(C)c1cc(=N[C@@H](C)C(C)C)[nH]nc1C(=O)NC1C2CC3CC(C2)CC1C3 1857752268 YAUATRSSNLLVQM-XJDHANQYSA-N 384.568 4.033 0 1 GIAF CC(=O)N(C)[C@@H](C(=O)NC=Cc1c[nH]c2c(CC=C(C)C)cccc12)C(C)C 2356428049 WHFCSKJBZCDEKG-JOCHJYFZSA-N 381.520 4.266 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3CC[C@H]2[C@@H](C)O)C1 2356487760 KWOUHQLFAVONNL-ZOKYGABFSA-N 376.537 4.137 0 1 GIAF COc1ccc(-c2c(O)c3ccccc3oc2=NC(=O)c2ccco2)cc1OC 2356812779 BMGLXZFLNNWXPI-UHFFFAOYSA-N 391.379 4.157 0 1 GIAF CC(=O)Nc1cccc(-c2cccc3c2COCC(=O)N3Cc2ccccc2)c1 205212050 PEWIBAVYFZIAHV-UHFFFAOYSA-N 386.451 4.375 0 3 GIAF Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CCC1 13560067 TWEQNWYNTADICN-WQFQCULDSA-N 381.545 4.377 0 1 GIAF CC(C)(C)OC(=O)[C@@]1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1 26376665 QIZVCNXUAROOEI-QHCPKHFHSA-N 381.472 4.352 0 1 GIAF O[C@H]1CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)C1 28822089 LIROUCJHJSDZPV-KRWDZBQOSA-N 396.712 4.248 0 1 GIAF CC(C)Cc1ccc([C@@H](C)C(=O)CN2C(=O)C[C@@H](Cc3ccccc3)C2=O)cc1 29476672 SIEDODCWJQDLIJ-XMSQKQJNSA-N 391.511 4.176 0 1 GIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(Cl)cc1 58568786 OVZSTRAEQIAPDQ-QGZVFWFLSA-N 377.868 4.090 0 1 GIAF Cc1ccc(-n2c(S)nnc2N2N=C(c3ccc(Cl)cc3)CCC2=O)cc1 66077891 JKZYPYHNSMSIBW-UHFFFAOYSA-N 397.891 4.049 0 1 GIAF Cc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCC2CCCCC2)co1 82088105 XWKWUQIRBQWNKZ-UHFFFAOYSA-N 384.476 4.236 0 1 GIAF Cc1ccc(S(=O)(=O)N2c3ccccc3[C@H]3COc4ccccc4[C@H]32)cc1 82152791 ISQKBCDJGDKCMA-DENIHFKCSA-N 377.465 4.421 0 1 GIAF c1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3C[C@@H]2CCCO2)cc1 82178427 RKLVBACKJAZNON-KRWDZBQOSA-N 391.500 4.346 0 1 GIAF Fc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3C[C@@H]2CCCO2)cc1 82185536 BKMMIPUUCNXVGA-KRWDZBQOSA-N 393.422 4.017 0 1 GIAF COc1cc(OC)c2c(=O)cc(-c3ccc(F)cc3)oc2c1-c1ccnn1C 95592970 BZQBITTVRBHQSY-UHFFFAOYSA-N 380.375 4.017 0 1 GIAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(Br)cn3)C2)cc1 96172936 MLCWNLIEDMXOCP-CYBMUJFWSA-N 389.293 4.194 0 1 GIAF CN(C)Cc1ccc([C@H]2Nc3cccc4c(=O)[nH]nc(c34)[C@@H]2c2ccccc2)cc1 118621871 JIVGZFFEZKZOGK-FYYLOGMGSA-N 396.494 4.283 0 1 GIAF COC(=O)c1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1 164783277 PFPKMNBCOSJBCC-UHFFFAOYSA-N 389.386 4.408 0 1 GIAF OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1Cl)[C@@H]23 169333636 QBQZZUOIAIQUAS-CZAYHTPWSA-N 376.972 4.177 0 1 GIAF CCN(Cc1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1F)c1ccccc1 473235339 YPHYLBWHRVYABL-UHFFFAOYSA-N 398.409 4.339 0 1 GIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 586930727 FZHRMYQQLYEIPQ-UHFFFAOYSA-N 377.469 4.363 0 1 GIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](c1cncnc1)CCC3 586988365 QCZFQUSDNXQMPF-CQSZACIVSA-N 379.419 4.410 0 1 GIAF Cc1c(Cl)ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c12 587024120 OIWDVMGXLVHMJA-UHFFFAOYSA-N 398.879 4.010 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(F)c(F)cc3[nH]2)cc1 587042579 MQMJTSWOKZLNOB-QGZVFWFLSA-N 389.427 4.128 0 1 GIAF N=c1cc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c2c[nH]1 587068093 HBIAQYBXTFPWOQ-UHFFFAOYSA-N 376.807 4.137 0 1 GIAF FC(F)c1c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cnc2ncnn12 587127877 CHFMKAZGTAMUGZ-UHFFFAOYSA-N 386.309 4.217 0 1 GIAF CC(C)CCOC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352344 WZLWNYJYJSMJMJ-KNQAVFIVSA-N 386.419 4.238 0 1 GIAF CCC[C@]1([C@H](C)C(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355263 XBBQCAFASMXKGX-NHLCRCCNSA-N 386.419 4.238 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C\N(C)C)(c1ccc(OC(F)F)cc1)O2 587382927 PUZHNJJDMHYHQV-GEPASTNRSA-N 388.414 4.115 0 1 GIAF CCCCCS(=O)(=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587410655 UUNHUJXZAPCNGG-HXUWFJFHSA-N 387.501 4.248 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(N3CCCCC3)nc1Cl)O2 587413108 MFWWUNLFPLADKW-AWEZNQCLSA-N 377.897 4.384 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccccn1)[C@@H](C2)C3=O 587420781 JCNOZKQZDIKGLM-HTAPYJJXSA-N 377.827 4.435 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(OC)cc1)CC2=O 587471372 RCAXSDKTSNJFQM-JOCHJYFZSA-N 383.444 4.106 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CN)(c1ccc([C@@H](C)OCC)cc1)CC2=O 587473212 REACHQUTSJPVCO-CMJOXMDJSA-N 383.488 4.262 0 1 GIAF COc1ccc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587547169 KYZFMDBZCAHXDV-OXQOHEQNSA-N 383.787 4.152 0 1 GIAF CCCCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587587894 QIUQLSRRZQNYOU-UGKGYDQZSA-N 376.412 4.228 0 1 GIAF C[C@@H]1C(C)(C)[C@H](C(=O)O)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587606218 CYDBFMFOIHZHMA-FWSKKXNVSA-N 396.439 4.250 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(C(=O)O)c2)N1 587714250 DXLKZGFIGXQBMQ-ZKANADHPSA-N 382.204 4.049 0 1 GIAF COc1cc2c(cc1F)[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587727480 CVFIKVUZYKYZAG-GIGQVBGESA-N 394.259 4.460 0 1 GIAF COCCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587791342 HMWPKTXZHQVLSO-HXPMCKFVSA-N 394.284 4.237 0 1 GIAF CCOC(=O)C[C@]1(C2(C)CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800257 WJDDQGPRSZQMFH-VOJFVSQTSA-N 384.289 4.071 0 1 GIAF COC(=O)[C@@H]1CCC[C@@]2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587804785 FPOUSTJVSHEOCW-IUUKEHGRSA-N 384.289 4.071 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H](C3(C)C)[C@@]2(C)O)N1 587829061 VUBWUZOVDXWTPY-PGLCVDEISA-N 382.317 4.135 0 1 GIAF COc1ccc(-c2ccc(-c3nc4ccc(C(=O)O)cc4[nH]3)c(O)c2)cc1OC 587927541 QOZPPUSTCZLSDH-UHFFFAOYSA-N 390.395 4.318 0 1 GIAF O=C1c2ccccc2Nc2ccccc2N1Cc1cn(Cc2ccc(F)cc2)nn1 653807563 OQWFEEXCSSYPKS-UHFFFAOYSA-N 399.429 4.370 0 1 GIAF CCCCc1c(O)nc(SCC(=O)c2ccc(Cl)cc2)nc1COC 957856786 BKOWXDLKMQSDJZ-UHFFFAOYSA-N 380.897 4.300 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(CCC[C@H](Cc3ccc(Cl)nc3)C2)N1 962903470 VATHEULPOFBZNO-JRQSSSKMSA-N 388.870 4.101 0 1 GIAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc2cccnc12 962976353 ZOYDADLIFYSAPO-HNAYVOBHSA-N 388.801 4.163 0 1 GIAF CCCOc1ccc2c(c1)[C@@]1(CCO2)NCCc2cnc3c(OC)cccc3c21 963053228 GYTYDVMEEXNCGE-XMMPIXPASA-N 390.483 4.204 0 1 GIAF Cc1c(Sc2cccc(C(=O)O)n2)c2ccc(F)cc2n1-c1ccn(C)n1 1772639641 UYXWERLZBLCHOG-UHFFFAOYSA-N 382.420 4.056 0 1 GIAF O=C(CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(OC(F)(F)F)cc1 1857751739 NFGQENMSXXKFRK-UHFFFAOYSA-N 396.384 4.119 0 1 GIAF O=C1CC[C@H](C=C[C@@H](O)CCCCCC=C(Br)Br)O1 2356392726 MZAQGPQBEPVOJJ-RYUDHWBXSA-N 396.119 4.191 0 1 GIAF CC(C)C1=CC[C@@]2(C)[C@H](C1)[C@@](C)(OC(=O)C=Cc1ccccc1)[C@@H](O)C[C@H]2O 2356471168 QFWLJZPRVYMZJX-BVETWUGGSA-N 384.516 4.126 0 1 GIAF Cc1ccc(CNC(=O)[C@@]2(C)CCN2C(=O)Cc2ccc(C(C)(C)C)cc2)cc1 61902537 BQGDUSXXBLIRTL-RUZDIDTESA-N 392.543 4.142 0 3 GIAF CN(CCc1ccccc1)[C@@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C 95569929 MGILAJBCGGZHBW-NRFANRHFSA-N 389.503 4.438 0 3 GIAF c1ccc(-c2cc(-c3ccccc3)[n+](-c3nnn[nH]3)c(-c3ccccc3)c2)cc1 13472134 ZVVJXYMLUUPOHV-UHFFFAOYSA-N 376.443 4.477 0 1 GIAF Cc1c(N2CCc3ccccc3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 13605026 RPTNNMGTZBVSGS-UHFFFAOYSA-N 392.430 4.045 0 1 GIAF Cc1c(C(=O)c2ccccc2Cl)c2ccccc2n1CCN1CCOCC1 13742545 PXJVUKBVDDBTMW-UHFFFAOYSA-N 382.891 4.166 0 1 GIAF CCCc1c(OCc2ccc(/C=C/C(=O)O)c(OC)c2)ccc(C(C)=O)c1O 27978234 JBRRIEOTTQZAQH-DHZHZOJOSA-N 384.428 4.233 0 1 GIAF O=C(Nc1cc(F)cc(F)c1)c1cccc(C(=O)Nc2cc(F)cc(F)c2)n1 28708421 PNHDZFIIZPGVGC-UHFFFAOYSA-N 389.308 4.143 0 1 GIAF CC(C)(C)C(=O)CN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 40956392 YFAQEUSUZYCIKL-UHFFFAOYSA-N 385.335 4.050 0 1 GIAF COc1ccc([C@@H]2[C@@H]3CCCCC3=NN2S(=O)(=O)c2ccc(C)cc2)cc1 43013294 PNKFAHYERFQZEN-TZIWHRDSSA-N 384.501 4.295 0 1 GIAF CCCc1cc(N2CC[C@H](N(CC)CC)C2)nc(Nc2ccc(OC)cc2)n1 45323628 REXZXSKMQDXGTM-IBGZPJMESA-N 383.540 4.102 0 1 GIAF C[C@@H]1CN(C2CCCCC2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1 72136798 BFFFQIGXKMQHOI-DYVFJYSZSA-N 393.325 4.205 0 1 GIAF CCc1nc(C(=O)NCc2ccc(C(=O)NCCC3=CCCCC3)cc2)cs1 82069751 BKUPQBDITRYURE-UHFFFAOYSA-N 397.544 4.256 0 1 GIAF CC1CCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccco3)n2)CC1 82141972 DCFAWXIFQKGIDR-UHFFFAOYSA-N 382.508 4.283 0 1 GIAF CCCCC1([C@H](O)/C=C/[C@H]2[C@H](O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O)CCC1 169315243 QXMPZYDJGKWCFG-SGNSXTLGSA-N 392.536 4.031 0 1 GIAF O[C@H](c1ccccc1)[C@H](c1ccccc1)N1CCN(CCc2ccccc2)CC1 169334395 RFKXNDDAXMWNQB-IZZNHLLZSA-N 386.539 4.322 0 1 GIAF Cc1ccc(Nc2c(F)cccc2I)c(CC(=O)O)c1 198020666 GRBKEZGRRZAGJM-UHFFFAOYSA-N 385.176 4.109 0 1 GIAF CC(=O)N1Cc2c(-c3ccc(F)cc3)nn(Cc3ccc(F)cc3F)c2C[C@@H]1C 204907870 MNRNRKQRNKDGGO-ZDUSSCGKSA-N 399.416 4.309 0 1 GIAF O=C1c2cc(-c3ccc(OC(F)(F)F)cc3)ccc2OCCN1CC1CC1 206201275 QVTMCSWKUREICY-UHFFFAOYSA-N 377.362 4.497 0 1 GIAF COC(=O)c1ccnc2[nH]c(-c3cc(Cl)c(OCC(C)C)c(OC)c3)nc12 587046415 SSNBDFXDZQFNLT-UHFFFAOYSA-N 389.839 4.108 0 1 GIAF OCc1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587091028 FVTHEFMBKUFKFS-UHFFFAOYSA-N 391.271 4.077 0 1 GIAF CC(=O)NC1(c2nc3cc(Br)c(F)c(F)c3[nH]2)CCC(C)CC1 587234366 KMCSBBDBCJIXTI-UHFFFAOYSA-N 386.240 4.145 0 1 GIAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)cc1 587243792 IIMCMLZPGZRYIB-UHFFFAOYSA-N 375.359 4.320 0 1 GIAF Nc1cccc2c1OCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341527 ZAFOPNNDEWGMAH-REWPJTCUSA-N 391.398 4.150 0 1 GIAF CC(C)COC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353308 YRWWRLOISFZVCZ-IFMALSPDSA-N 386.419 4.238 0 1 GIAF C[C@@H](O)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371680 COVZZLTWVBZRDS-SIJSFFJVSA-N 384.428 4.228 0 1 GIAF COc1ccc([C@]2(CC(C)(C)CC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403675 PMSIUBJMUAVKFW-HSZRJFAPSA-N 397.471 4.338 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(F)cc1Br)[C@@H](C2)C3=O 587427834 WFXJMQGUCDFUID-SCLBCKFNSA-N 377.209 4.260 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCC(=O)OCC)c1)CC2=O 587480447 JWFUOHXEBFPUNK-HSZRJFAPSA-N 398.455 4.167 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(OCC(=O)O)cc1)CC2=O 587481420 MENOZRMGLYLNTE-QHCPKHFHSA-N 398.455 4.165 0 1 GIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1Cl 587548515 WWKHTJRDJKRCFG-HRAATJIYSA-N 398.798 4.463 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1ccc(F)cc12 587570204 NKAPAFUBZPZUKN-UGKGYDQZSA-N 378.355 4.171 0 1 GIAF CC(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587581258 VHDJOTATPGKZTA-OFNKIYASSA-N 389.407 4.362 0 1 GIAF COc1cccc(OC)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590561 CNVMRFQAYAILBH-REWPJTCUSA-N 392.407 4.286 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc(N)cc32)N1 587746798 OAYGKZROJQTJEJ-NSPYISDASA-N 375.285 4.285 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCNC(=O)OC(C)(C)C)N1 587751962 CGCGROXOISMFEF-ZWNOBZJWSA-N 387.293 4.078 0 1 GIAF COCCOc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587791334 HMVNVLVAYMFNQF-BUXKBTBVSA-N 394.284 4.237 0 1 GIAF CCCCOC(=O)[C@@H]1CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587791878 IZMHKGVXDCBBCF-UHYGZKCKSA-N 398.316 4.461 0 1 GIAF CCCCC[C@@]1(C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798622 PPSWQIPKSVRXKP-KPZWWZAWSA-N 386.305 4.461 0 1 GIAF COC(=O)CC1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587805154 GXZAUYQVBUEASO-OMTHAAKESA-N 384.289 4.071 0 1 GIAF Nc1cccc2c1CC[C@@]21NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962958638 OOYIQULMISPYCT-OAQYLSRUSA-N 388.433 4.129 0 1 GIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(c1cccnc1)c1ccc2c(c1)CCO2 963093435 BPWSXOYOFLWBCQ-WIOPSUGQSA-N 386.470 4.468 0 1 GIAF CCCCCC(=O)CC[C@H]1[C@H](CC=CCCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O 2356477792 HMEIMGKBZAEAEM-MYGLTJDJSA-N 396.568 4.342 0 1 GIAF CC[C@H](NC(=O)c1cc(COc2ccc(F)cc2Cl)on1)c1ccncc1 12448753 MMCBJAAYCOBBSB-INIZCTEOSA-N 389.814 4.322 0 3 GIAF COc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C2=O)cc1OC1CCCC1 27325910 JBVQAXYIVKTGGW-MRXNPFEDSA-N 375.465 4.268 0 1 GIAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3noc(-c4ccccc4)n3)ccc21 28563266 ZQDIFUYLRKDKJY-UYAOXDASSA-N 392.455 4.499 0 1 GIAF CSc1nc(NCc2cccnc2)c(C(=O)O)c(SCc2ccccc2)n1 53226490 IAWJVKHNXLKFMR-UHFFFAOYSA-N 398.513 4.196 0 1 GIAF Cc1ccc(C2=NN(C(N)=S)[C@H](c3ccc(Br)cc3)C2)cc1C 53297187 NGVQHAXJXAYXSR-KRWDZBQOSA-N 388.334 4.461 0 1 GIAF COc1cc2nc(N(C)Cc3ccccc3)nc(NCC(C)C)c2cc1OC 82128245 HZLHFRMIFBIHHP-UHFFFAOYSA-N 380.492 4.351 0 1 GIAF CC1CCN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccccc3)n2)CC1 82133329 PIAGNMKYDROBQY-RTBURBONSA-N 392.547 4.498 0 1 GIAF O=C(Nc1ccc(N2CCNCC2)cc1)c1ccc(-c2ccccc2Cl)o1 84587306 OAWGNEGVOIDOJR-UHFFFAOYSA-N 381.863 4.262 0 1 GIAF CCCCOc1cccc2c1[C@@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3 101008028 ONTSMVMHZIYPME-PZUNEJSGSA-N 397.559 4.282 0 1 GIAF COc1cc2c(=O)n(CCc3cccc(Cl)c3)ccc2cc1-n1cnc(C)c1 103247219 KTZKXUJQVIJUTR-UHFFFAOYSA-N 393.874 4.400 0 1 GIAF Cc1cccc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1 116826379 OFVUGECFZLTJIE-HDICACEKSA-N 389.524 4.327 0 1 GIAF C[C@]12CC[C@@H]3c4ccc(O)c(NC(=O)c5ccncc5)c4CC[C@H]3[C@@H]1CCC2=O 139390347 GNRLSMLEQLVWTH-CVJORQDNSA-N 390.483 4.465 0 1 GIAF COc1cc2ccn(-c3ccc(C(N)=O)c(Nc4ccccc4)c3)c2cc1OC 143616122 VGLUYNGPQJIQPN-UHFFFAOYSA-N 387.439 4.490 0 1 GIAF CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)CCCCN3C(C)=O 144411167 WJJLNLGKJQIBIA-UHFFFAOYSA-N 380.419 4.288 0 1 GIAF CCCC[C@@H](O)C(C)(C)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 169324010 DWQJMQKCTQUQTL-AHNPNINBSA-N 396.568 4.200 0 1 GIAF CCOc1cc2c(cc1OC(C)=O)C(=O)CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 169360051 BQBOABNOMRVZDN-QTJYZURKSA-N 386.488 4.258 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2nccn3cc(-c4cc(C)cc(C)c4)nc23)cc1 206593710 NQIRZWJVWWRCNJ-UHFFFAOYSA-N 392.484 4.122 0 1 GIAF CCCCOC(=O)C(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC[C@@H](O)C[C@@H]21 223582637 JCDBXTYJLBHCTL-BRWVUGGUSA-N 390.520 4.429 0 1 GIAF Cc1cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2cc1Br 586913112 MRSMACDEJRHHJM-UHFFFAOYSA-N 387.277 4.436 0 1 GIAF Clc1nccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1Br 586979058 FQSXMCQZQSZKKZ-UHFFFAOYSA-N 380.629 4.202 0 1 GIAF Cc1cccc(NC(=O)Cc2nc3cc(F)cc(Br)c3[nH]2)c1C 587238930 IOKICABAQDKBJO-UHFFFAOYSA-N 376.229 4.263 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc4c(C(F)(F)F)nn(C)c4s1)[C@@H](C2)C3=O 587418900 BMZYXHAXWXYVRQ-BJOHPYRUSA-N 394.374 4.151 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2occ(C(=O)O)c21 587487359 ZINJTEAYROFSDD-QFIPXVFZSA-N 384.428 4.469 0 1 GIAF CN1CCN(c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587514723 OLIOZGRDCZWFMY-HSZRJFAPSA-N 376.500 4.024 0 1 GIAF CCn1cc([C@@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587515690 OIDFQGDFWMVUIA-WHIOSMTNSA-N 379.504 4.026 0 1 GIAF COc1cc(C)ccc1OCc1nc2ccc(I)cc2[nH]1 587564465 SGWQHXAKFJBLRD-UHFFFAOYSA-N 394.212 4.064 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H]2OCc1ccccc1 587598942 CLTQIJNKWYUSKK-AWRGLXIESA-N 388.419 4.472 0 1 GIAF COc1ccccc1C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600707 PFVDTBRHFDUPED-REWPJTCUSA-N 376.408 4.364 0 1 GIAF CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(F)ccc12 587636856 MGWFFTAUNWCXJW-GFCCVEGCSA-N 376.428 4.208 0 1 GIAF C=C1C=C(C)n2c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc2N1 587774374 MVTXJTGNVLWUON-DYZYQPBXSA-N 389.272 4.208 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ncccn2)N1 587775519 RJIPNEHTGOLOBD-ZUOKHONESA-N 398.279 4.204 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(C(=O)O)cc2)N1 587820334 BETOXHAEAZIETR-MGNBDDOMSA-N 378.241 4.084 0 1 GIAF Cc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCCO2 587834001 JMWXGZBSAMLCEU-WYRIXSBYSA-N 392.268 4.291 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)n1cccn1 587860573 XKABOEMHEHNTCK-NSHDSACASA-N 379.247 4.354 0 1 GIAF C[C@]1(c2cccc(N3Cc4ccccc4C3=N)c2)NCCc2c(C(=O)O)cccc21 963119331 DKELJXGGKMLAEB-RUZDIDTESA-N 397.478 4.140 0 1 GIAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356417174 SSXKICOQNGDABW-NIBCZSCCSA-N 378.468 4.309 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@]32O)C1 2356450525 XMMWYJKJRBYBKW-UGCIQDCYSA-N 376.537 4.281 0 1 GIAF COc1cc([C@@H]2c3c(cc(OC)c(OC)c3O)C[C@H](C)[C@H]2C)cc2c1OCO2 2356660167 HAPHUWWEOOCTDA-VNBZBWLYSA-N 386.444 4.107 0 1 GIAF CN1C(=O)Cc2cc3c(CCC4CCN(Cc5ccccc5)CC4)noc3cc21 1488164 GBRYDMXCJVBJHH-UHFFFAOYSA-N 389.499 4.192 0 1 GIAF CC[C@H](C)CNCCCNCCCCCCCNCCCNC[C@@H](C)CC 3964065 KZZXDUXDKDXVNI-GOTSBHOMSA-N 384.697 4.168 0 1 GIAF COc1c(C)c(O)c(C)c(/C=C(\CCCCCc2cccnc2)C(=O)O)c1O 13604378 IIRGESLJADPZQL-SFQUDFHCSA-N 385.460 4.389 0 1 GIAF O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@H]1CCC[C@@H]2C=CC=C[C@H]12 27519666 HBNIAKXTMMHNGE-ONTIZHBOSA-N 390.527 4.315 0 1 GIAF O=c1c2cc(F)ccc2nc(-c2ccccc2O)n1CCc1cccc(F)c1 28345362 RIDQHUPWZIRXMP-UHFFFAOYSA-N 378.378 4.290 0 1 GIAF CO[C@H]1OC2(CCN(Cc3ccccc3)CC2)c2cnn(-c3ccccc3)c21 29055965 FCNXGYVVSPWIJU-QFIPXVFZSA-N 375.472 4.039 0 1 GIAF CC[C@@H](NC(=O)C1CCCC1)[C@H](O)C1CCN(c2ccc(Cl)cc2)CC1 43207870 SYHYSBBZLJOCBL-WOJBJXKFSA-N 378.944 4.002 0 1 GIAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)C[C@H]1CC[C@@H]3N1 68249137 DOUMNJOBZGMSMH-UTKZUKDTSA-N 397.478 4.247 0 1 GIAF C[C@@H]1C[C@@H](Nc2cncc(Oc3ccc(-n4cncn4)cc3)n2)CC(C)(C)C1 82068726 YONPZQKEOPCATD-HZPDHXFCSA-N 378.480 4.476 0 1 GIAF Cc1ccc(CNc2ncc(C(=O)N(C)CC(C)C)c(-c3ccccc3)n2)o1 82132326 HUBFSYYVDYHRLJ-UHFFFAOYSA-N 378.476 4.385 0 1 GIAF CC(C)=CCN(C(=O)Nc1nccs1)c1ccc(OC(C)(C)C(=O)O)cc1 103243924 QOKATHCTBKSQLD-UHFFFAOYSA-N 389.477 4.390 0 1 GIAF CCCCCOC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)ccc1Cl 103293264 UIYCGHXNWMNXEW-UHFFFAOYSA-N 375.852 4.431 0 1 GIAF COc1ccc2cc(-c3cccc(-c4nc(SCC(=O)O)n[nH]4)c3)ccc2c1 205444254 CAVOJMAAZZFQHO-UHFFFAOYSA-N 391.452 4.477 0 1 GIAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cc(F)c2[nH]1 586935102 CDSYRVONBDPBLP-HNNXBMFYSA-N 399.850 4.170 0 1 GIAF COc1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 587182778 MUQNNCAIRSOUPF-UHFFFAOYSA-N 384.604 4.497 0 1 GIAF CC(C)[C@H](c1nc2ccc(Br)nc2[nH]1)N(C)C(=O)OC(C)(C)C 587198352 ZALNPWGRTFPECS-GFCCVEGCSA-N 383.290 4.284 0 1 GIAF Cc1ccc([C@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587355617 VOYQOPGPSPBZQX-REWPJTCUSA-N 392.382 4.179 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4O[C@@H]1c1ccccc1)[C@@H](C2)C3=O 587451848 BUXIUVUAZFSKQD-MUEKUWCCSA-N 398.414 4.198 0 1 GIAF COc1cc2c(cc1OC)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H](N=O)C2 587508320 UWBGGEFACDEYJE-GMAHTHKFSA-N 393.439 4.134 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nccn1-c1ccccc1 587574000 ADGHNXXTIXHZBK-KNQAVFIVSA-N 384.391 4.281 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C2(C)CC2)(C(F)F)N1 587723015 URNCXGKLUHSPQE-XYZCENFISA-N 390.243 4.342 0 1 GIAF CCn1ncc([C@@]2(CC)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587763732 LRUMOXOGZMRROY-ADLMAVQZSA-N 380.305 4.301 0 1 GIAF COc1ccc(-c2c[nH]nc2[C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962616501 AERZDXGNRPOPRC-JLCFBVMHSA-N 393.487 4.068 0 1 GIAF CCCCN(C)c1ncc([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)s1 962731275 RFBZWMUEKLJQGQ-GDBMZVCRSA-N 397.466 4.115 0 1 GIAF COc1c(C=O)cc(C)cc1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962999416 RLZAJDCMNNACJQ-NRFANRHFSA-N 378.497 4.420 0 1 GIAF COc1ccc(-c2cc3c(c(OC)c2)OCCN(C(=O)C2CC2)C3)cc1Cl 1772627105 JEHGEXYSQMAHJC-UHFFFAOYSA-N 387.863 4.155 0 1 GIAF COc1cccc(F)c1C(=O)N[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cn1 1772653441 MQGZPOWHHLFRQJ-KBPBESRZSA-N 397.372 4.011 0 1 GIAF COc1cc2ncc(-c3ccc(Cl)cc3)n2cc1S(=O)(=O)C(C)(C)C 1857641041 FDSJVYBAHLONLM-UHFFFAOYSA-N 378.881 4.236 0 1 GIAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1ccc(Cl)cc1 1911579672 HFVBXPVKYFVQIC-INIZCTEOSA-N 397.689 4.459 0 1 GIAF CC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(Cl)ccc1c2=O 61921301 ARKVXVBQLYDPAU-QGZVFWFLSA-N 389.842 4.387 0 3 GIAF O=C(c1cccc(Cl)c1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 205220477 ANTVWJJYSNQDDH-DOMZBBRYSA-N 379.218 4.008 0 3 GIAF CCC(=O)Oc1c2c(c(OC(=O)CC)c3cc(Cl)ccc13)OCCCO2 603464 KLQIWOWSZJGIFK-UHFFFAOYSA-N 378.808 4.285 0 1 GIAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)N2CCCCC2)C1 13584865 VXDYZTDYUKVXNJ-IEBWSBKVSA-N 380.985 4.121 0 1 GIAF Cc1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2C[C@@H]2CCCO2)o1 82178499 ZPROSSREPCDYDQ-KRWDZBQOSA-N 389.459 4.186 0 1 GIAF Nc1nccn2c(C3CCC3)nc(-c3ccc(OCC(F)(F)F)c(F)c3)c12 96168123 DMELNXXZXSLCPX-UHFFFAOYSA-N 380.345 4.326 0 1 GIAF CC(C)[C@H]1C/C=C/C[C@H](C)Oc2ccccc2C(=O)N(C)[C@H](C(C)C)C(=O)N1 100084734 LWHPZOYAMURLFL-KOMWFOPOSA-N 386.536 4.041 0 1 GIAF O=C1CC(c2cccc(-n3ccnc3)c2)=Nc2ccc(Br)cc2N1 101495475 VBUYFLFOIZCYJN-UHFFFAOYSA-N 381.233 4.098 0 1 GIAF C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NCCC)nc23)c1 139993660 UOHFEISBAPNSQH-UHFFFAOYSA-N 397.438 4.423 0 1 GIAF CCNC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C(F)(F)F)nc1 142851438 TVXWVEJQIZOHDS-UHFFFAOYSA-N 391.349 4.084 0 1 GIAF Cc1ccc(/C=C2\CN(C)C[C@@H]3C2=NC(=S)N[C@H]3c2ccc(C)cc2)cc1 254079375 TWQNLQSVHIFNMC-CZONRBCFSA-N 375.541 4.319 0 1 GIAF Ic1cnc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586884168 OLHVWXHQCPTZMK-XQDRIVNHSA-N 379.245 4.030 0 1 GIAF COc1cc(Br)c([C@H](N)c2nc3cc(C)cc(C)c3[nH]2)cc1OC 586976590 WLCJYAFWCYHYRJ-INIZCTEOSA-N 390.281 4.008 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(O)c3[nH]1)N2 587030608 GJPQWGQHOCDDAY-BNDQCTAISA-N 386.502 4.395 0 1 GIAF C[C@H](NC(=O)CC(F)(F)F)c1nc2cccc(OCc3ccccc3)c2[nH]1 587093800 HAZMCRJPAOBHFL-LBPRGKRZSA-N 377.366 4.272 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2oc(=O)ccc2c1 587612505 VHYJGGFZQXPVJE-NZQKXSOJSA-N 386.359 4.202 0 1 GIAF COC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587721475 VYHIXHWRVFENCG-HUTHGQBESA-N 396.231 4.138 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]2NC(=O)OC(C)(C)C)N1 587741855 IRSSYLGFERZFRD-SBOFIZKASA-N 399.304 4.005 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc(N)cc32)N1 587749017 ZNXREHNSYDZJNN-WYRIXSBYSA-N 375.285 4.285 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCNC(=O)C2CCCC2)N1 587752786 FPUSHSIAGPLJNP-LRDDRELGSA-N 397.332 4.250 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C[C@@H]1C)N[C@@H](C)Cc1cc(Br)c(F)cc12 587796415 KEIHBPGYQYGGPY-XPRARXKLSA-N 398.316 4.317 0 1 GIAF CCOCc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587854115 PULOPZPIVFRASH-JDNHERCYSA-N 385.302 4.205 0 1 GIAF Cc1nc2c(s1)[C@]1(CCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587857753 MYOYIPKVZKEEKG-HUTHGQBESA-N 381.314 4.467 0 1 GIAF Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874267 RXQDCKGHSGLUGZ-VIFPVBQESA-N 394.328 4.295 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1c(Cl)nc3scc(C)n13)N(C)[C@H](C)C2 962563263 FLQZXDQCYGFVPN-QLJPJBMISA-N 391.924 4.341 0 1 GIAF COc1cc2c(cc1OC)[C@@](C)(c1occc1Br)N(C)[C@@H](C)C2 962620445 HWQWUBVCPDDFJV-VOJFVSQTSA-N 380.282 4.199 0 1 GIAF Fc1cccc2c1CCN([C@H]1CCSC1)C2(c1ccccn1)c1ccccn1 962709064 NGPSISRQOYFWSL-KRWDZBQOSA-N 391.515 4.271 0 1 GIAF COc1ccc2cc(C(=O)C[C@@]3(C)NCCc4c(C(=O)O)cccc43)ccc2c1 963115633 ALVOQOSIYSNLFG-XMMPIXPASA-N 389.451 4.181 0 1 GIAF CCC=C(C)C=C(C)[C@H](O)[C@H](C)[C@]12O[C@H]3[C@H](C)[C@](CC)(O1)O[C@@](O)([C@@H]3C)[C@H]2C 2356568906 QAPANHSCLYNNHY-PKVISLJVSA-N 394.552 4.145 0 1 GIAF C[C@H]1CN(c2ccc(Br)cc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1 61923318 UMMDAOIBRRLYPW-SUMWQHHRSA-N 387.277 4.077 0 3 GIAF COc1ccc2[nH]cc(CCNc3ccnc(-c4ccc(N(C)C)cc4)n3)c2c1 4239356 PFNNBGXQHRVDSX-UHFFFAOYSA-N 387.487 4.354 0 1 GIAF aggregator O=c1c2c(ncn2Cc2ccc(Cl)cc2)c2cccnc2n1-c1ccccc1 26721963 GXXZQLRUBMVDRK-UHFFFAOYSA-N 386.842 4.437 0 1 GIAF O=c1on(COCc2ccccc2)c(-c2ccncc2)c1-c1ccc(F)cc1 28525583 XDFQWHOSBZNDQR-UHFFFAOYSA-N 376.387 4.484 0 1 GIAF COc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(Cc3ccccc3)c2c1 28962203 NTVPQJZVGIVDJZ-UHFFFAOYSA-N 390.483 4.121 0 1 GIAF CC(C)=CCC/C(C)=C/CC/C(C)=C\CC(P(=O)(O)O)P(=O)(O)O 29123584 QBAOBDKNTDWTHR-PVMFERMNSA-N 380.358 4.477 0 1 GIAF CCOP(=O)(Cc1ccc(-c2nc3cccc(F)c3c(=O)[nH]2)cc1)OCC 29222698 YHDYQVQYFSMIBA-UHFFFAOYSA-N 390.351 4.495 0 1 GIAF COc1cc([C@H]2[C@@H]3C=CC=C4CC=CC(=C43)[C@@H]3CCC(=O)N32)cc(OC)c1OC 31897476 UZISGKOETGDJKE-STSQHVNTSA-N 391.467 4.127 0 1 GIAF COc1cc(OC)c2c(c1)C(=O)N1c3ccccc3-c3ccnc4[nH]cc(c34)[C@H]21 45335927 RMVYEGBVPLJPRH-OAQYLSRUSA-N 383.407 4.310 0 1 GIAF O=C1OCC2=C1[C@H](c1cncc(Br)c1)c1ccc3ccccc3c1N2 71282113 JXKZKGQWZSCNBI-QGZVFWFLSA-N 393.240 4.366 0 1 GIAF O=C(c1ccccc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72186153 OJVPPJBPMUOWNF-JOCHJYFZSA-N 391.902 4.282 0 1 GIAF Cc1cc(Br)ccc1C(=O)Nc1ccc2sc(CO)nc2c1 84688974 FHPANBSRFBFWOW-UHFFFAOYSA-N 377.263 4.112 0 1 GIAF CC(C)(C)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 118401891 SXMHUKHEPKZDDA-QGZVFWFLSA-N 399.445 4.334 0 1 GIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(C(C)=O)cc3)cc2)C[C@H]2CC[C@H]1N2C 253634208 QOGDDOWLBRAWFT-SSGKUCQKSA-N 377.484 4.296 0 1 GIAF COc1ccc(-c2cc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cs2)cc1 299858340 GJULNOSFCCOKHH-SFHVURJKSA-N 396.468 4.241 0 1 GIAF CCOC(=O)[C@H](F)[C@@H]1CCc2c(nc3cccc4c3c2-c2ccccc2C4=O)C1 587104058 QTLVSLFKZDMOTE-MCMMXHMISA-N 389.426 4.452 0 1 GIAF C[C@H](F)[C@@H](N)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587122309 CSTCXDXEWDSYEK-RMLUDKJBSA-N 398.335 4.331 0 1 GIAF COc1cncc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12 587127929 CBJGWEKHJLUEMJ-RXMQYKEDSA-N 377.729 4.301 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CCC(=O)CC1 587234743 USBLIXFKKKUFJY-UHFFFAOYSA-N 399.825 4.358 0 1 GIAF O=C(c1cccc(F)c1Cl)c1c(CO)oc2cc(Br)cnc12 587275446 AYSSGWPBLZYHGA-UHFFFAOYSA-N 384.588 4.106 0 1 GIAF Cc1ccc([C@@]2(CN)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587332192 FMGQGCVAFGHIJG-JTHBVZDNSA-N 377.415 4.053 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc3c(C)cc(Br)cn13)O2 587372443 LJCDPTAIIACTDK-MRXNPFEDSA-N 386.249 4.002 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2Oc2ccc(C(=O)O)cc21 587408395 MLRZOXLLALMNED-HSZRJFAPSA-N 387.391 4.290 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H](C2)C3=O 587432057 JXTQEHKQKHQJCO-LAUBAEHRSA-N 395.455 4.209 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(=O)OC(C)(C)C)cc1)[C@@H](C2)C3=O 587438840 IFJYOVZAQABOLS-GAJHUEQPSA-N 380.440 4.313 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccncc1 587577128 MKNXQGYZBRQQJK-NFBKMPQASA-N 384.391 4.281 0 1 GIAF Cn1cc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2n1 587583188 UNUWHKQRPHEJJZ-NFBKMPQASA-N 386.407 4.156 0 1 GIAF O=C(c1cccc2cc[nH]c12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659998 ASZNUFBINCACOB-UHFFFAOYSA-N 383.382 4.372 0 1 GIAF COc1ccc(Cl)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587693806 FOAMEFSYMXPEQA-VPTHRUTESA-N 385.664 4.269 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C2CC2)(C(F)(F)F)N1 587704663 JHIAWXZFUJAOER-ANRSDYALSA-N 394.206 4.249 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/N(C)C)(c2ccco2)N1 587741643 OFCWBIRVFVOCIW-ICCOPHDOSA-N 379.273 4.034 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587800479 XPYDWSXURYEPKH-ZTWKBWDPSA-N 398.316 4.317 0 1 GIAF C/C=C/CC[C@]1(CC(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587808173 NNGRNWYKRMNCLA-PNENFHPVSA-N 384.289 4.237 0 1 GIAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C=O)c1O 587823844 WSRRIBFOBXRMAN-BMLIUANNSA-N 378.241 4.038 0 1 GIAF O=C(Nc1ncnc2[nH]cnc12)c1ccccc1-c1cccc(-n2cccc2)c1 653794494 HLTGXRCKIZVVJJ-UHFFFAOYSA-N 380.411 4.063 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccccc1[C@@H](C)c1cnc[nH]1 963071149 WUAMKFQKMDWKTF-MYYSRTQBSA-N 384.483 4.353 0 1 GIAF COc1ccc(-c2n[nH]cc2[C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1OC 963114126 RSXSARULHBVXMN-QMHKHESXSA-N 393.462 4.343 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@H](c2cccc(-c3cccc(O)c3)c2)N1 963240137 YBLZLNPNEAKEMJ-RPWUZVMVSA-N 396.446 4.296 0 1 GIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2ccccc2C)C(=O)OC)cc1 1772608419 RMKUDMIELUFGPE-GAJHUEQPSA-N 397.515 4.383 0 1 GIAF CC(=O)N1CCC(Cn2c(-c3cc(C)c(O)c(C)c3)nc3ccccc32)CC1 1857560619 AHYTYQQBENVCLW-UHFFFAOYSA-N 377.488 4.284 0 1 GIAF CC(=O)Nc1cc(-c2[nH]c3cccnc3c2-c2ccc(OC(F)F)cn2)ccn1 1857651453 LVEVVRALVLYIQD-UHFFFAOYSA-N 395.369 4.247 0 1 GIAF C[C@@H](NC(=O)[C@@H]1CCC(=O)N1c1cccs1)c1ccc(Cl)cc1Cl 1911577844 DOPHUSAELHJOLB-YGRLFVJLSA-N 383.300 4.428 0 1 GIAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)CCC3=C([C@]4(C)CCCC(C)(C)C4)CC[C@@H]1[C@H]32 2356805435 VILIFGZHAXVZTP-XNIUVOMHSA-N 376.493 4.498 0 1 GIAF CCCCn1c2c(c3cc(OC)c(OC)cc3c1=O)Cc1cc3c(cc1-2)OCO3 27206777 ZLTBCYRRWRZSHM-UHFFFAOYSA-N 393.439 4.119 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 28759102 GNWBLLYJQXKPIP-IWAYPSTESA-N 388.596 4.334 0 1 GIAF COC(=O)c1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1C 45316323 ZBTUIONYUOHXER-AUUYWEPGSA-N 395.421 4.055 0 1 GIAF C[C@](O)(c1ccc(S(=O)(=O)c2ccccc2C(F)(F)F)cc1)C(F)(F)F 64559280 OPECELRZYKHDRT-AWEZNQCLSA-N 398.324 4.308 0 1 GIAF CC1(C)C=Cc2cc([C@H](O)c3cn(C45CC6CC(CC(C6)C4)C5)nn3)ccc2O1 72180677 LXDJTMDXSFJCIX-BGEBIYQKSA-N 391.515 4.469 0 1 GIAF COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(O)c(Cl)c3)OC2=S)cc1 84596590 ACBVTTLMNAZPEA-ZSOIEALJSA-N 396.251 4.397 0 1 GIAF COc1ccc(SC[C@@H](O)Cn2c3c(c4ccccc42)CCC3)c(OC)c1 84708838 LMQRWKYAHZUIQG-HNNXBMFYSA-N 383.513 4.300 0 1 GIAF CCOC(=O)c1ncn2c1[C@@H](C)N=C(c1ccc(F)cc1)c1cc(F)ccc1-2 95556248 GXIOJUSHXWWWJB-GFCCVEGCSA-N 381.382 4.239 0 1 GIAF O=C(Nc1ccccc1F)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2ccccc2)cc1 100106090 VNJKCAXWZWYHMI-JKHIJQBDSA-N 387.458 4.464 0 1 GIAF Cn1nc(C(F)(F)F)cc1-c1sc(C(=O)Nc2ccccc2F)cc1N 142601432 HRRGZRVYQOLKBI-UHFFFAOYSA-N 384.358 4.141 0 1 GIAF O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)[C@@H](CF)NCC3 143507707 PHFZQICXCIRDRJ-OAHLLOKOSA-N 379.840 4.075 0 1 GIAF COc1c(F)cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1F 147809652 QHTZMWHWGWIHEZ-IUODEOHRSA-N 398.409 4.092 0 1 GIAF O=C(Nc1ccc(OC(F)(F)F)c(F)c1)c1cccc(-c2cncnc2)c1 224334184 RLLXECRBCPORMF-UHFFFAOYSA-N 377.297 4.434 0 1 GIAF COc1ccc2c(c1OC)[C@@H](CCO)N(C)c1c-2ccc2cc3c(cc12)OCO3 238754142 YGIGBIIZDQJXJW-QGZVFWFLSA-N 393.439 4.126 0 1 GIAF Cc1ccc(-c2nc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c(C)s2)cc1 587013268 RBLMYEOLLNITCB-UHFFFAOYSA-N 385.470 4.217 0 1 GIAF Cc1ccnc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc12 587027539 RRINRYLTDMBFMC-IKGGRYGDSA-N 380.517 4.403 0 1 GIAF Fc1cnc(Br)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc12 587077518 VORQUAMYSZIKNX-NSHDSACASA-N 395.619 4.130 0 1 GIAF CC[C@H](c1nc2ccc(C)c(C)c2[nH]1)n1cc(I)c(C)n1 587185404 SUGFFPOKZZFIES-CQSZACIVSA-N 394.260 4.289 0 1 GIAF CCOC(=O)[C@@H](CC)Oc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587400241 LYRPBCHFSFMUQT-QUCCMNQESA-N 383.444 4.004 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(F)c(F)c1)CC2=O 587465764 HJFUOHLBOMRTJH-OAQYLSRUSA-N 390.382 4.348 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3CCCC3=O)c1)CC2=O 587473620 ADFIWIALFFTGGE-QHCPKHFHSA-N 379.456 4.352 0 1 GIAF O=C(Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1)c1ccc(Cl)s1 587564052 NMSUHOPMOGRHFU-UHFFFAOYSA-N 398.831 4.070 0 1 GIAF CC[C@@]1(CNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568784 DPFSNVQTEACHLL-VGSWGCGISA-N 399.443 4.027 0 1 GIAF CCC[C@]1([C@H](C)C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597265 QKJPVGJTCXHDGR-JVJLVOBOSA-N 384.428 4.092 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C(F)(F)F)nc2)N1 587723033 UVCGZURXHVBLPQ-FUXBKTLASA-N 390.178 4.021 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587724561 JHCAHJACLOJYDH-VVVCHXIZSA-N 396.231 4.138 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccnc2)N1 587753431 IRVVBWKTKMAJNZ-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF CCC[C@@]1(c2c[nH]c(C(=O)O)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795947 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CC=C[C@@H]1C[C@@H]1[C@@H]1OC2=C(Br)C[C@H](C=C=CBr)O[C@@H]21 2356760384 GABIRMUVGHAVPG-SELPIKFASA-N 388.099 4.425 0 1 GIAF C[C@H](C=CC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356814121 BXUVIKFICAYYEQ-ZOMDUIRWSA-N 390.564 4.254 0 1 GIAF CCN(CC)CC[C@@H](c1ccc2c(c1)OCO2)c1c(O)cc(OC)cc1OC 13661562 ZGTCXQQGCBRQOO-KRWDZBQOSA-N 387.476 4.002 0 3 GIAF Cc1cnc(-c2nc3ccccc3n2[C@@H](C(=O)NC(C)(C)C)c2ccccc2)cn1 95568583 QABRXPCEKHZNKG-OAQYLSRUSA-N 399.498 4.306 0 3 GIAF CC(C)n1nnnc1[C@@]1(C)CCCCC(=O)N1Cc1cccc(C(F)(F)F)c1 203465536 HAUUAMSCSBKZAS-GOSISDBHSA-N 395.429 4.091 0 3 GIAF Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cccc(F)c1)CC(=O)N2 2724189 VHRQSTLHYLGUJB-JOCHJYFZSA-N 392.405 4.457 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](CN1CCC(Cc3ccccc3)CC1)C2 3814283 RFRCKQUUCMWYIO-FQEVSTJZSA-N 379.500 4.014 0 1 GIAF Cc1c(Sc2ccccc2)n(C/C=C/c2cc3ccccc3o2)c(=O)[nH]c1=O 6520169 ZIPFPZTYINHRSV-VQHVLOKHSA-N 390.464 4.456 0 1 GIAF CCOC(=O)CCCCOc1ccc2c(=O)c(-c3ccc(O)cc3)coc2c1 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COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(N2CCCC2)c1 166376220 SRCAXQLZTYEFAG-PXNSSMCTSA-N 394.515 4.414 0 1 GIAF COc1ccc(N(CC2CC2)C(=O)N2CCN(c3ccccc3C)CC2)cc1 169339864 ZZGCPPUHSUOFSB-UHFFFAOYSA-N 379.504 4.162 0 1 GIAF CN(CCCN1CCN(c2ccccc2)CC1)c1cccc(Br)c1 169339929 RHVLSWMDHSDALN-UHFFFAOYSA-N 388.353 4.098 0 1 GIAF CN(Cc1ccccn1)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 205443909 ZONMABJWTYATPJ-UHFFFAOYSA-N 388.402 4.166 0 1 GIAF COc1cc(Br)cc2cc(-c3ccc(OC(C)=O)cc3)c(=O)oc12 299821623 KBBUSVGZKPYRJR-UHFFFAOYSA-N 389.201 4.156 0 1 GIAF Cc1cc2ncc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c(C)n2n1 586989504 LTCJOTAUOGATFJ-UHFFFAOYSA-N 392.418 4.478 0 1 GIAF Clc1ccnc2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc12 587001419 XTPSFJKMWVYTPS-UPHRSURJSA-N 392.640 4.315 0 1 GIAF CCCn1cnc2cc(-c3nc4ccc(C(=N)N)cc4[nH]3)cc(Br)c21 587003981 OHNOHTLMNMRCPY-UHFFFAOYSA-N 397.280 4.036 0 1 GIAF Cc1ccc(C)c2[nH]c(Cc3csc(NC(=O)c4cccc(O)c4)n3)nc12 587018909 BMQIKMVAJLEZSI-UHFFFAOYSA-N 378.457 4.185 0 1 GIAF N[C@@H](c1ccsc1)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587025230 JRUIPWCXHIVQPP-JTQLQIEISA-N 392.200 4.334 0 1 GIAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1OC 587085454 UASSNTRHWXOSOQ-UHFFFAOYSA-N 394.818 4.136 0 1 GIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)c1 587341649 ZMTJWIMPGVLLKA-FYYLOGMGSA-N 393.414 4.396 0 1 GIAF O=C1c2ccc(O)cc2O[C@](Cc2cccs2)(C(=O)O)[C@@H]1c1ccc(F)cc1 587371713 CWASKXGJRIICHQ-NQIIRXRSSA-N 398.411 4.018 0 1 GIAF COc1cc2c3c(c1)O[C@](C(C)=O)(c1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O 587421074 RWECGLYHUWXMIJ-HNAYVOBHSA-N 377.223 4.234 0 1 GIAF O=C1C[C@](CO)(c2ccc(C(F)(F)F)cc2)Oc2c1ccc1c2CCCC1 587503705 CGAJZQDCQSBYEW-FQEVSTJZSA-N 376.374 4.437 0 1 GIAF CCCS(=O)(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587532562 OQOHDKCGLFHZON-NRFANRHFSA-N 384.497 4.456 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1nc2ccccc2o1 587584481 AKUHJWQZPXIHAF-RXVVDRJESA-N 387.391 4.496 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ncc[nH]1 587591376 VLZGUIYEDQSOMR-WMZHIEFXSA-N 384.391 4.021 0 1 GIAF Cc1nc2c(s1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619749 UWGUPEYYTSXNDJ-LAUBAEHRSA-N 379.437 4.351 0 1 GIAF Cc1c(Cl)nnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1C 587655707 OTUVDLOFLSTWQR-UHFFFAOYSA-N 398.800 4.391 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3nc(O)oc3c2)N1 587777163 FORMKCKPRVWKLV-NIVTXAMTSA-N 391.240 4.233 0 1 GIAF COc1ccc2c(c1)C[C@@]1(C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587805791 GBXOIJBDFICSSW-JEOXALJRSA-N 376.269 4.125 0 1 GIAF COc1cccc2c1CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587810766 UMWLVDOJDMJVBQ-NSPYISDASA-N 376.269 4.321 0 1 GIAF Cc1nc2sccn2c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587858031 XCMWARDZOBXPMA-XLFHBGCDSA-N 394.313 4.404 0 1 GIAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc2cccnc12 962976356 ZOYDADLIFYSAPO-KXBFYZLASA-N 388.801 4.163 0 1 GIAF CC(=O)Oc1ccc([C@@]2(c3ccc(Cl)cc3)NCCc3c(C)ccnc32)cc1 963074758 XYQAGFSVHIPTCF-HSZRJFAPSA-N 392.886 4.406 0 1 GIAF Fc1ccc(-c2cnc([C@H]3COCCN3Cc3c[nH]c4ccccc34)[nH]2)c(F)c1 2356323578 DBJFYOPPERUNSV-OAQYLSRUSA-N 394.425 4.410 0 1 GIAF COc1cc(CC[C@]2(OC(C)=O)CC[C@H](C3CCCCC3)[C@H](O)C2)ccc1O 2356773222 UAQWMSYZLIXKJA-LSWJPFSZSA-N 390.520 4.377 0 1 GIAF COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccncc3)c2)cc1 4659872 XOKSVNUSZBTXNL-UHFFFAOYSA-N 381.819 4.248 0 3 GIAF COc1ccc(C(C)=O)cc1C[C@]1(C)C(=O)Nc2ccc(OC(F)(F)F)cc21 61897857 KICYFZVILSGYGL-IBGZPJMESA-N 393.361 4.249 0 3 GIAF O=C(Nc1cccc(OC(F)(F)F)c1)[C@H]1Cc2c(-c3ccco3)ccnc2O1 61927004 UUXOXNQDIQKYRK-MRXNPFEDSA-N 390.317 4.182 0 3 GIAF O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1ccccc1 774928 LIEZNINCWXVADD-ROUUACIJSA-N 380.419 4.181 0 1 GIAF COc1cc([C@@H]2SCC(=O)N2c2cccc(Cl)c2)cc(OC)c1OC 1862914 GEDUCXOUSJWCQR-SFHVURJKSA-N 379.865 4.144 0 1 GIAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)NC[C@H](O)CC 4310528 QAJHKACOFFCVDL-ZNZDAUKMSA-N 398.906 4.380 0 1 GIAF COc1ccc(-c2cc(=O)n(Cc3cccnc3)nc2-c2ccc(OC)cc2)cc1 26471091 PSQCMQGRKRSPJM-UHFFFAOYSA-N 399.450 4.038 0 1 GIAF O=C(O)c1cn2c3c(c(Cl)c(F)cc3c1=O)S[C@H](c1cccc(F)c1)C2 27098789 TZQWTQRYKXKDEW-ZDUSSCGKSA-N 393.798 4.478 0 1 GIAF Oc1cc2c(cc1Cl)CN(C(=S)NCCc1ccc(Cl)cc1)CC2 29123167 DSXZKJWBILQPQQ-UHFFFAOYSA-N 381.328 4.174 0 1 GIAF O=C1c2ccccc2C(=O)N1CCOC(=S)Nc1cc(Cl)cc(Cl)c1 40943586 KKIQIOHMLPFUMG-UHFFFAOYSA-N 395.267 4.003 0 1 GIAF CCN(CC)C(=O)c1cccc(C2=CC3(CCNCC3)Oc3ccccc32)c1 40972293 VVIXUMWNLIZSDM-UHFFFAOYSA-N 376.500 4.115 0 1 GIAF On1ncc(C2CCNCC2)c1Cc1ccc2ccccc2c1Br 49087624 HMRRNXHWVOACEA-UHFFFAOYSA-N 386.293 4.094 0 1 GIAF C[C@@H]1C(=O)N(Cc2ccc(-c3ccccc3)cc2)[C@]1(Cc1ccccc1)C(=O)O 72116950 LMGNJGNATLEIBX-CJAUYULYSA-N 385.463 4.398 0 1 GIAF CC(C)CN(C)C(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1F 82151118 OUKGDXAWHNTNAJ-CALCHBBNSA-N 398.526 4.493 0 1 GIAF O=C(NC1CCCCC1)c1cn2c3c(cccc3c1=O)OC[C@@H]2c1ccccc1 95553133 UFJKRSIGVPRPKD-HXUWFJFHSA-N 388.467 4.046 0 1 GIAF O=C1CC2(CCCCC2)Oc2cc(OC[C@H](O)CNc3ccccc3)ccc21 95591297 NWKQYGHCBISHBK-GOSISDBHSA-N 381.472 4.207 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2C(=O)O)cc1 95921138 KFQWZEYUSVKRBI-UHFFFAOYSA-N 383.425 4.286 0 1 GIAF in-vitro CN(C(=O)COc1onc(-c2ccccc2)c1Br)c1ccccc1 103191629 SSEFXJDFHUOOLK-UHFFFAOYSA-N 387.233 4.146 0 1 GIAF COc1ccc([C@@H]2C[C@H]2C(=O)Nc2nc3ccc(-c4cn[nH]c4)cc3s2)cc1 103290047 TYRRNKNTRGLDAB-DLBZAZTESA-N 390.468 4.437 0 1 GIAF O=C(NCc1ccccc1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166897205 VECJBGGHOGWUBI-UHFFFAOYSA-N 389.430 4.303 0 1 GIAF CC(=O)N[C@@H]1CCCc2c1cncc2N1C(=O)c2ccc(Cl)cc2[C@@H]1C1CC1 224485383 FVQHFNCQANINKL-CTNGQTDRSA-N 395.890 4.360 0 1 GIAF COc1cc(OC)c2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc2c1 586914520 SULUIHKVSQPGDE-UHFFFAOYSA-N 390.395 4.348 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2c(Cl)c(Cl)cnc2[nH]1 586917250 RRLHWDKAWHXKJR-ZMZPIMSZSA-N 376.243 4.481 0 1 GIAF FC1(F)Oc2cc3nc(-c4ccnc5[nH]cc(Br)c45)[nH]c3cc2O1 587004784 YGMMDHQAOQKUHF-UHFFFAOYSA-N 393.147 4.190 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3c(C)ccnc3[nH]1)N2 587030575 FYRGWUOLSPEHDC-LAPSENCUSA-N 385.518 4.393 0 1 GIAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587118560 RMACAGMEEBZQMF-UHFFFAOYSA-N 381.102 4.023 0 1 GIAF Fc1c(F)c(-c2nc3cc(Br)cnc3[nH]2)c(F)c(F)c1S 587135260 WGDSVJNHTUNWRM-UHFFFAOYSA-N 378.148 4.233 0 1 GIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587152260 YPHBLJBDYMVAPO-NSHDSACASA-N 397.385 4.040 0 1 GIAF N[C@@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)C[C@@H]1c1ccccc1F 587154351 DQLKYUQNMZUSLW-HWPZZCPQSA-N 380.648 4.459 0 1 GIAF Cc1cc2c(O)nc(O)nc2nc1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 587368059 HJUDQNWZUMINAD-UHFFFAOYSA-N 389.255 4.449 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1cncc(Br)c1C)O2 587371985 NGLMNVKSOGVOKM-ZDUSSCGKSA-N 375.266 4.010 0 1 GIAF COC(=O)C[C@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587398744 HLFQMJADOPLWBX-QHCPKHFHSA-N 381.472 4.299 0 1 GIAF C[C@@]1(Cn2cc(C(F)(F)F)ccc2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587510042 VUTQEPDLICPSIQ-FQEVSTJZSA-N 391.389 4.170 0 1 GIAF CC(=O)Oc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599917 IXEAELKWQZSHGI-SIKLNZKXSA-N 376.364 4.020 0 1 GIAF Cc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2[C@@H](C(=O)O)n2cncn2)cc1 587631657 GHCJVUYHQDPKQL-SFHVURJKSA-N 384.798 4.201 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c[nH]2)N1 587679931 GBIXJMHZTCHGMP-JKYUHCHBSA-N 388.078 4.302 0 1 GIAF COC(=O)C[C@]1(C2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810009 SPBYKTZWKHVQNQ-BBATYDOGSA-N 384.289 4.071 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc2n[nH]cc2c1 587864355 YKYIUYGCBZSETO-UHFFFAOYSA-N 386.333 4.142 0 1 GIAF CN(C)S(=O)(=O)c1cccc2nc(/C=C/c3cccc4ccccc34)[nH]c12 587968688 NZOHEFIRMMONEB-BUHFOSPRSA-N 377.469 4.137 0 1 GIAF C[C@@H](CN1C(=O)c2ccccc2[C@@H]1C(=O)NCC(F)F)c1ccc(Cl)cc1 653724617 PYWJHYZHNABKNX-KPZWWZAWSA-N 392.833 4.022 0 1 GIAF COc1ccc(C[C@@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC 653765625 WCBVUNGSCRLULK-MRXNPFEDSA-N 388.435 4.312 0 1 GIAF CCn1nc([C@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)cc1C 961782311 XTPKVOAMZQZPQS-OAQYLSRUSA-N 396.535 4.452 0 1 GIAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@@]34CCCc3ccncc34)C2)cc1 962624680 FEIOCMQAVSEAGF-JYFHCDHNSA-N 381.523 4.408 0 1 GIAF C=CC(=O)Nc1ccc(OC)c(Nc2cc(-c3cnc(SC)[nH]3)ccn2)c1 1772570654 AHLKYGXOMWXBQT-UHFFFAOYSA-N 381.461 4.070 0 1 GIAF COc1ccc2nc(C)cc(OCC(=O)Nc3cccc4c3CCCC4)c2c1 1772625928 DLOAGDPYOMOAKK-UHFFFAOYSA-N 376.456 4.448 0 1 GIAF CN(C)CCN1CCN(c2cccc(-c3ccc(-c4ccccc4)cc3)n2)CC1 1857582236 BJXQVTNJTRYFRY-UHFFFAOYSA-N 386.543 4.099 0 1 GIAF CCC=C(C)[C@H](O)[C@@H](C)C=C(C)C=CC=CC=CC=C(C)C(=O)N[C@@H](C)CO 2356508781 QGJPEZISMDKYLK-VABKMULXSA-N 387.564 4.398 0 1 GIAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@]3(CCC[C@@H]3CNC3CCCCC3)[C@H]1[C@H](O)C2 2356672739 WFTSAWYFMSRLIM-CEZJROTHSA-N 375.597 4.407 0 1 GIAF CCCCC[C@@H](O)C(C)(C)C(=O)N1C(=O)OC(C)(C)[C@H]1Cc1ccccc1 2356854432 ROQRBGPOJLWCGH-QZTJIDSGSA-N 375.509 4.323 0 1 GIAF CC[C@@H](NC(=O)c1cc(COc2ccc(F)cc2Cl)on1)c1ccncc1 12448752 MMCBJAAYCOBBSB-MRXNPFEDSA-N 389.814 4.322 0 3 GIAF COc1cccc(C(=O)[C@H]2CCCN(Cc3cn(C)nc3-c3ccccc3)C2)c1 13594375 HAJFFNDMCOMJNM-FQEVSTJZSA-N 389.499 4.191 0 3 GIAF CSc1[nH]c2cc(Br)cc(Br)c2c1[S@@](C)=O 13449767 JIIUXPPTKXBSSZ-INIZCTEOSA-N 383.130 4.152 0 1 GIAF biogenic CO[P@@](=O)(c1ccccc1)N1CCCC(c2ccc(Br)cc2)=N1 13557132 AGSFJHZEIWPCIQ-QHCPKHFHSA-N 393.221 4.414 0 1 GIAF CC(C)c1ccc(-c2cc(C(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1 13588363 HEQADHSCTSZFRB-UHFFFAOYSA-N 391.443 4.399 0 1 GIAF CCCc1c(OCCCCOc2ccc(C(=O)O)cc2)ccc(C(C)=O)c1O 28368909 DHNZFOBWEJSKSD-UHFFFAOYSA-N 386.444 4.484 0 1 GIAF CCn1c2ccccc2c2cc(S(=O)(=O)Nc3ccc(OC)c(N)c3)ccc21 35064588 BDRQSAHUZZHZLP-UHFFFAOYSA-N 395.484 4.206 0 1 GIAF Cc1ccc(N2C(=S)NN=C3N(c4ccccc4)C(=O)c4ccccc4N32)cc1 40915233 UCAVCHMCRUDPED-UHFFFAOYSA-N 399.479 4.043 0 1 GIAF CCCC[C@H](CC)CNc1nc(NC[C@H](C)O)c2cc(OC)c(OC)cc2n1 82129381 XXIVLPLOWPFXAC-GJZGRUSLSA-N 390.528 4.068 0 1 GIAF CC(C)c1nc2c(NCc3ccccc3)ncnc2n1CC[C@H]1CCCN1C 82178638 RRYJEVOBMSHEJS-GOSISDBHSA-N 378.524 4.046 0 1 GIAF COc1cc(C(=O)c2c[nH]c(-c3ccc(C(C)C)cc3)n2)cc(OC)c1OC 95584592 HMFVFFBJQNJMRQ-UHFFFAOYSA-N 380.444 4.457 0 1 GIAF COc1ccc2cc3[n+](cc2c1OCC=C(C)C)CCc1cc2c(cc1-3)OCO2 95593690 JEGPVVBWEXZSAE-UHFFFAOYSA-N 390.459 4.433 0 1 GIAF O=C(Oc1ccccc1)Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)CC2=O 95596662 HMBNIQURJGKZFZ-LJQANCHMSA-N 392.363 4.382 0 1 GIAF COc1cc2oc(Oc3ccc(O)cc3O)cc(=O)c2c(O)c1CC=C(C)C 95911748 CIWJENLWOBLTHL-UHFFFAOYSA-N 384.384 4.219 0 1 GIAF biogenic,in-vitro C[C@]1(CO)Cc2nnc(C3(c4ccc(-c5ccccc5)cc4)CC3)n2CCS1 148315121 KJIBRMRRCCDONN-JOCHJYFZSA-N 391.540 4.065 0 1 GIAF CN1c2c(ccc(Cl)c2Cl)N(CCOc2ccc(Cl)cc2)[C@@H]1NC#N 169307014 INFQOEHEOOKUCY-QGZVFWFLSA-N 397.693 4.336 0 1 GIAF O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc3cnccc3c1)CC2 299864121 LZRKHHCUTDYANV-UHFFFAOYSA-N 392.890 4.057 0 1 GIAF CCCCC/C=C\C[C@H]1O[C@H]1C/C=C\C/C=C\CCCC(=O)OC(CO)CO 535385367 OKCHDUJPLFYNPT-JFQRHTAOSA-N 394.552 4.240 0 1 GIAF in-vitro COC(=O)c1ccc2nc(-c3ccccc3C(=O)c3cc(C)ccc3C)[nH]c2n1 586882524 WWMYIEFACZTKSZ-UHFFFAOYSA-N 385.423 4.259 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cncc(Cl)c2[nH]1 587002316 LQFQHQVHCLPPFB-LBPRGKRZSA-N 390.672 4.098 0 1 GIAF CC(C)COc1cc2nc([C@H](N)c3ccsc3)[nH]c2cc1Br 587025636 PCEKSKGBTPYLET-OAHLLOKOSA-N 380.311 4.470 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(F)c(F)c3)nc2c1 587143871 MLDAOPACSCSQOG-UHFFFAOYSA-N 381.176 4.447 0 1 GIAF CC(C)(C)c1ccc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2n1 587149182 MRPUEGWWNDZMQD-ZDUSSCGKSA-N 384.430 4.050 0 1 GIAF CSc1ccc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2c1 587244838 MSLMRBZBTCDIEO-UHFFFAOYSA-N 378.457 4.424 0 1 GIAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Br 587375044 BGWXOEHOOSBYLK-MRXNPFEDSA-N 376.250 4.445 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C[C@@H]4CC[C@H](C1)N4Cc1ccccc1)[C@@H](C2)C3=O 587445629 XDEMCNWSWVAFAD-KTXJPYHWSA-N 375.468 4.008 0 1 GIAF COc1cccc(-c2ncc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)c1 587453197 VSPIZPHCFICYDD-FOIQADDNSA-N 379.437 4.316 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(C)=O)c(OC)cc1OC)CC2=O 587479028 LZMXVKWRRYJEOS-HSZRJFAPSA-N 398.455 4.445 0 1 GIAF CCOc1ccc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594401 HJDMSYIAJFDECQ-DENIHFKCSA-N 378.380 4.199 0 1 GIAF CC(=O)Nc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587741367 GXFLVIJCOXXXGM-MLCYQJTMSA-N 377.257 4.170 0 1 GIAF CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(N)cc2O1 587746831 OHJLLBSASDGISO-GIGQVBGESA-N 389.268 4.244 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3ccccc3n2)N1 587779448 SKSIOJOYYNRAII-NSPYISDASA-N 386.268 4.329 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3cc[nH]n3)o2)N1 587795219 NRTZGNCJVREAEM-VVVCHXIZSA-N 376.229 4.195 0 1 GIAF COCC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798523 YNMJHNDTWXPWFP-ORAYPTAESA-N 378.285 4.403 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cc(C)[nH]n1 587858902 DDZCSXPLEVUETF-UHFFFAOYSA-N 379.247 4.170 0 1 GIAF Cc1ccc(NCCc2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 587923760 LMFATCHHDJSODX-UHFFFAOYSA-N 387.530 4.145 0 1 GIAF Cc1ccccc1CC[C@]1(C2CC2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963220959 JBYYIBWLUWDLOI-ILBGXUMGSA-N 386.495 4.380 0 1 GIAF COC(=O)c1ccc(OC)c(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)c1 1772643836 LFFPVWOJIPBJTD-KRWDZBQOSA-N 397.452 4.212 0 1 GIAF COc1ccc(-c2cc(=O)n3nc(C)c(Cc4ccc(Cl)cc4)c3[nH]2)cc1 1857606979 MJASFJWUMZDVEP-UHFFFAOYSA-N 379.847 4.251 0 1 GIAF COC(=O)CCc1ccc(OCc2oc(-c3cccc(OC)c3)nc2C)cc1 1857757300 JYYKAPLKPNEVIM-UHFFFAOYSA-N 381.428 4.343 0 1 GIAF CCCCn1nc2cc(C(=O)NCc3ccc(OC)cc3)ccc2c1OCC 8694119 JLLAWKJEKCDLKX-UHFFFAOYSA-N 381.476 4.174 0 3 GIAF CC(C)(C)CNC(=O)[C@@]1(C)CCN1C(=O)c1ccccc1CCc1ccccc1 61903359 BLLQJXUTWQKOED-RUZDIDTESA-N 392.543 4.239 0 3 GIAF O=C(NCCc1ccccc1F)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 767806 DOMZMSRNJFKBDH-PZJWPPBQSA-N 394.471 4.338 0 1 GIAF O=C(Nc1[nH]nc(C(=O)Nc2ccccc2)c1Cl)c1ccccc1Cl 28711972 HXNZYKWRQNGIIW-UHFFFAOYSA-N 375.215 4.221 0 1 GIAF CN(C)c1cccc(Nc2nc(Cl)nc3c2ncn3Cc2ccccc2)c1 28767148 GNTJUPAVKZAMQX-UHFFFAOYSA-N 378.867 4.338 0 1 GIAF C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(Br)c4)cc3c21 28902051 ZPGNQCXYWXRURT-SNVBAGLBSA-N 398.260 4.030 0 1 GIAF COC(=O)C[C@H](c1ccccn1)[C@H](C(=O)N(C(C)C)C(C)C)c1ccccc1 34986503 BSUSJWAHOYFFOL-DENIHFKCSA-N 382.504 4.158 0 1 GIAF Cc1cnc(NCc2cc(-c3ccccc3)no2)nc1Nc1cc(C2CC2)[nH]n1 35950888 GUXTVYGMICYDEA-UHFFFAOYSA-N 387.447 4.396 0 1 GIAF Cc1cnc(N2C(=N)S/C(=C\c3c[nH]nc3-c3ccc(F)cc3)C2=O)s1 40379724 PYZPRPXSPYLDQV-PPWWSIPDSA-N 385.449 4.036 0 1 GIAF CCOc1cccc(-c2cc(NCCc3ccc(OC)c(OC)c3)ncn2)c1 82162004 FULHKXCJKRQVES-UHFFFAOYSA-N 379.460 4.214 0 1 GIAF O=C(O)CC[C@@]1(c2ccccc2)CC(O)=C(SCCc2ccccc2)C(=O)O1 100364062 GQPUZHMMQSRHCL-QFIPXVFZSA-N 398.480 4.439 0 1 GIAF Cc1c(S(=O)(=O)Nc2cccc(C(=O)O)c2O)sc2ccc(Cl)cc12 114594187 CZVOXGSVQNCHHF-UHFFFAOYSA-N 397.861 4.068 0 1 GIAF COc1cc2nnc(C(F)(F)F)n2cc1-c1ccc(OC(F)(F)F)cc1 114878966 YJBZPBPCVQAIFA-UHFFFAOYSA-N 377.244 4.322 0 1 GIAF Cc1ccc(Cl)cc1NC[C@H]1[C@@H](c2ccc(S(N)(=O)=O)cc2)C1(C)C 142581773 IWONXIHXLHWZFU-FUHWJXTLSA-N 378.925 4.148 0 1 GIAF O=C(/C=C/c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ncccc1-3)Nc1ccccc1 169349951 MFFDNXYPXRKMOA-PKNBQFBNSA-N 394.434 4.376 0 1 GIAF Brc1ccc(Nc2ccc([C@H]3CNCCO3)cc2)c2cccnc12 169705275 WBWGFSZMMAQRJG-GOSISDBHSA-N 384.277 4.402 0 1 GIAF COc1ccnc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc2nc(C)sc2c1 215900486 BVDMAVDFBWSINA-MRXNPFEDSA-N 397.500 4.271 0 1 GIAF CCN(CC)C(=O)C[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)[C@H]1O 299870367 VGGFHJKLCAAIOU-QCILMINVSA-N 385.548 4.094 0 1 GIAF in-vivo CCCCNS(=O)(=O)c1ccc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586888312 INZGNQHYULYTNP-QSLMVLCRSA-N 387.549 4.109 0 1 GIAF COc1cc2nc([C@](C)(NC(C)=O)c3cccc(C(F)(F)F)c3)[nH]c2cc1F 587112336 IRAMHYGXSJDPIR-GOSISDBHSA-N 395.356 4.129 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 587150128 KLBWWUJYXRFEHY-UXBLZVDNSA-N 391.443 4.042 0 1 GIAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc4ccccc4c1)[C@@H](C2)C3=O 587446865 HFFYUUPXVQVLLD-CYFREDJKSA-N 388.419 4.356 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4O[C@@H]1c1ccccc1)[C@@H](C2)C3=O 587451850 BUXIUVUAZFSKQD-PISWEHOVSA-N 398.414 4.198 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(-c3cc(C=O)ccn3)c1)CC2=O 587478901 AFCXZPODDYWXPE-QFIPXVFZSA-N 388.423 4.321 0 1 GIAF CCn1ncc([C@]2(/C=C\N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587516352 CHBDSKPKXGUHBE-FRHQNKJESA-N 379.504 4.026 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccnc1Br 587543161 HWEYYTVXLOEJDR-MAUKXSAKSA-N 398.212 4.253 0 1 GIAF COc1ccc(F)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587556799 KFZRYRKTUCAIQQ-KNQAVFIVSA-N 380.371 4.417 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnn1C1CCCC1 587582755 QUGAHYCYLJKUFP-UGKGYDQZSA-N 376.412 4.407 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1CCOCc1ccccc1 587596802 PABTZQULNFGYOR-PZJWPPBQSA-N 376.408 4.329 0 1 GIAF CC(=O)Nc1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614392 SEIPDRIAAPRUNN-VQIMIIECSA-N 381.409 4.115 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)nnc2Cl)N1 587706530 QGMDFTMAOYHWSR-CAAJLBCPSA-N 391.071 4.309 0 1 GIAF COc1ccc(F)c(F)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587718524 NGMACEUNMLJKJZ-CQLKUDPESA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-n3ccnc3)c2)N1 587757008 UCGMFNJCRCZPLE-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3nn(C)cc23)N1 587757698 HNMKSLZLODFKOL-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF O=C(O)c1cccc(-c2cccc(-n3c(O)cc(-c4cccc(F)c4)c3O)c2)n1 587938222 QTTGZTIHNNKXKM-UHFFFAOYSA-N 390.370 4.455 0 1 GIAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c[nH]c(=N)[nH]c-2n1 587949292 QKILVCNUTMEWKR-QWQRMKEZSA-N 393.491 4.002 0 1 GIAF Ic1cnc2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 587967970 QOLIIIMFBPQHBE-UHFFFAOYSA-N 391.256 4.402 0 1 GIAF C[C@@]1(Cc2nc(-c3cccnc3)no2)NCCc2cc(-c3ccccc3)ccc21 962671738 SMGKBDAGSAVQOD-DEOSSOPVSA-N 382.467 4.402 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(CCCc3nc(-c4ccccc4)sc32)N1 962906096 WZJTZMDMTWWSAG-HTAPYJJXSA-N 394.471 4.128 0 1 GIAF CN(C)C(=O)c1ccc2c(c1)[C@@](CCc1cccc(F)c1)(C1CCC1)NCC2 962929258 HZDXUTYYEHIQPM-XMMPIXPASA-N 380.507 4.301 0 1 GIAF CCC[C@H](C)[C@@]1(c2ccccn2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962981742 WGKFCQYZBPACNL-ORBZYBPHSA-N 394.849 4.292 0 1 GIAF CC[C@@]1(c2ccc3c(c2)cc(O)n3C)N[C@H](C)Cc2c(OC)ccc(OC)c21 963638575 UHCZNBDORKMVFK-FATZIPQQSA-N 380.488 4.089 0 1 GIAF CCOC(=O)N1N=C(c2ccccc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 1857564648 RTVRSLTWIXCRHF-KRWDZBQOSA-N 384.432 4.020 0 1 GIAF CC(=O)OCC(=CCCC(C)=CCO)[C@H]1CC=C(CCC=C(C)C)C(=O)O1 2356479113 DBVLRYKUPZMATI-OAQYLSRUSA-N 376.493 4.183 0 1 GIAF CSc1ccccc1OCc1cc(C(=O)N(C)[C@H](C)c2ccccn2)no1 12304358 UPLIQPOCWIEPBM-CQSZACIVSA-N 383.473 4.204 0 3 GIAF COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(F)cc3OC(C)C)[nH]n2)c1 61896114 AIIQWYTZTSGHJJ-UHFFFAOYSA-N 399.422 4.273 0 3 GIAF CC1(C)C[C@H]2C[C@](C)(CN2C(=O)COC(=O)c2ccccc2C(F)(F)F)C1 7780694 RPCVGCKFVBBJOD-DJJJIMSYSA-N 383.410 4.289 0 1 GIAF Cc1c(C(=O)c2cccc(Cl)c2)c2ccccc2n1CCN1CCOCC1 13742546 QCDOXSWVWTZJJI-UHFFFAOYSA-N 382.891 4.166 0 1 GIAF Cc1c(Cl)ccc2c1N(C)C(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 28883915 DANZKDLAZRPRTG-UHFFFAOYSA-N 379.843 4.370 0 1 GIAF O=C1CCCN1CCc1ccc(C2=CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)cc1 29127945 ZBSRSMRKEMXADB-NOZRDPDXSA-N 386.539 4.387 0 1 GIAF CCOC(=O)C[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34801228 BKHTUFWIZQYTIT-KRLPJUIYSA-N 375.553 4.419 0 1 GIAF O=C(Nc1nccs1)[C@@]1(CCO)CC2c3ccccc3C1c1ccccc12 40402249 YVBACOIBRADANS-AJTFCVKESA-N 376.481 4.132 0 1 GIAF Nc1nc2c(-c3cc(CCCc4ccccc4)c(Br)[nH]3)nccc2[nH]1 45316512 NKHIPPHGAUNDHQ-UHFFFAOYSA-N 396.292 4.473 0 1 GIAF O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc(Cl)cc2)C(=O)C1 59278833 USHISRPXROWEHN-UHFFFAOYSA-N 383.662 4.136 0 1 GIAF NC(=O)c1ccc2c(c1)CCCN2c1ccc(CNCCc2cccs2)cc1 66263539 UEJHOGALMBEICD-UHFFFAOYSA-N 391.540 4.264 0 1 GIAF O=C(O)C(Cc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1)C(=O)O 71332569 WFCBSAGHROLWRJ-UHFFFAOYSA-N 388.725 4.479 0 1 GIAF CC1(C)C[C@H](NC(=S)Nc2cccc(Cl)c2)c2cc(NC=O)ccc2O1 72175414 UUMQMNQXKIUERH-INIZCTEOSA-N 389.908 4.497 0 1 GIAF CCOC(=O)[C@@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)C1 72182192 SZLRIXADLBLZTI-GFCCVEGCSA-N 383.275 4.424 0 1 GIAF CCCS(=O)(=O)c1ccc2[nH]c(N3CCC[C@@H](c4ccccc4)C3)nc2c1 95577283 JLDBDEDSLXNINW-QGZVFWFLSA-N 383.517 4.131 0 1 GIAF FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1 95602876 FNLMPHGDHHKTMV-UHFFFAOYSA-N 379.392 4.418 0 1 GIAF O=C(NC(=O)c1nc2cc(Cl)ccc2[nH]1)Nc1ccc(Cl)c(Cl)c1 103289140 RUDJFTBVINZTPL-UHFFFAOYSA-N 383.622 4.485 0 1 GIAF OCc1ccc(-c2noc(-c3cnn(C4CCCCC4)c3[C@@H]3CCCO3)n2)cc1 114562886 DAJQGDYMHDEACX-IBGZPJMESA-N 394.475 4.449 0 1 GIAF Cc1c(S(=O)(=O)Nc2ncc(C(=O)O)s2)sc2ccc(C(C)C)cc12 114604903 VPYGNBKIDNDUGA-UHFFFAOYSA-N 396.515 4.289 0 1 GIAF COC1CCC2(CC1)Cc1ccc(CC3CCCCC3)cc1[C@]21N=C(N)N(C)O1 141079014 OFDSKRLJGFJJEK-VZYOYLOZSA-N 397.563 4.285 0 1 GIAF CC1CCC(Nc2ccc(S(=O)(=O)NCC3CC3)c(C(F)(F)F)c2)CC1 145130572 XIGGQWGWGSAPDZ-UHFFFAOYSA-N 390.471 4.384 0 1 GIAF C[C@H]1C(=O)[C@H](C)[C@@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 169346979 FZHGLOCDHOYYLD-GIHONLOASA-N 387.483 4.049 0 1 GIAF COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(NC(C)=O)nn32)cc1 169687538 UFOKRKLHQFRDJD-SFHVURJKSA-N 395.850 4.012 0 1 GIAF CCOC(=O)C1=C(c2cccc(Cl)c2)N=C(C)[C@H](C(=O)OCC)[C@H]1CC 169721218 KYJJIPPMAHTIRG-CVEARBPZSA-N 377.868 4.294 0 1 GIAF COc1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccc1-c1cn[nH]c1 221700011 LBESRPHKXLREQJ-UHFFFAOYSA-N 375.350 4.034 0 1 GIAF O=C1C[C@@H](c2nc3cc(Cl)c(Cl)nc3[nH]2)CN1Cc1ccc(F)cc1F 587148231 GUWXGHZDGAXSIM-SECBINFHSA-N 397.212 4.059 0 1 GIAF FC(F)(F)c1ccc(-c2nc3cccnc3[nH]2)c(I)c1 587179517 WXIAQXIGMMCHMG-UHFFFAOYSA-N 389.118 4.248 0 1 GIAF c1coc(CNCc2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2)c1 587232188 NBTCCYAVWVKOHG-UHFFFAOYSA-N 375.428 4.274 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(COCc3ccccc32)[C@@H]1c1ccc(F)cc1 587356602 KKCOAXLXZTZPBL-FYYLOGMGSA-N 376.383 4.316 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(CCNC(=O)OC(C)(C)C)cc1)O2 587387353 PJSIDCPJSBLOKI-HXUWFJFHSA-N 396.487 4.351 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(N3CCC[C@H](C)C3)ccc1N)O2 587396509 SZTZPEMWTRONLV-LFVRLGFBSA-N 379.504 4.276 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3occc3C(=O)O)cc1)O2 587403592 JBRKJTNVHAHRFW-IBGZPJMESA-N 393.395 4.154 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3c(C(=O)OC)cccc13)CC2=O 587487962 WTUOQHRHKTUMRB-LJQANCHMSA-N 379.412 4.319 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccccc2Cl)N1 587693551 DUMMRWQRXRKPCX-BMLIUANNSA-N 384.676 4.012 0 1 GIAF COc1ccc(Cl)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587693807 FOAMEFSYMXPEQA-ZKANADHPSA-N 385.664 4.269 0 1 GIAF CCN(C)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587742935 VBNSMCATPGHUCH-VOJFVSQTSA-N 378.289 4.063 0 1 GIAF CCOC(=O)C1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CCCC1 587792227 BAZVPJAZMWQVCJ-KPZWWZAWSA-N 398.316 4.461 0 1 GIAF CC1CCN(CCCOc2ccc(=O)n(-c3cccc(Cl)c3Cl)n2)CC1 653883192 XSHIHAFYRUSEOZ-UHFFFAOYSA-N 396.318 4.040 0 1 GIAF CCCCN1C(=O)[C@H](C(C)=O)[C@]2(NCCc3c2sc(C)c3C)c2ccccc21 963007225 HERHHAHWWOYQGX-NZQKXSOJSA-N 396.556 4.106 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@]21CCN(C(=O)OC(C)(C)C)CC[C@H]1C 963269250 GZBJDXILSYZTKK-SZNDQCEHSA-N 394.943 4.357 0 1 GIAF Fc1ccc(Nc2nc(=NCc3ccco3)nc(Nc3ccc(F)cc3)[nH]2)cc1 1772590105 OQDKAWLRKBCMEG-UHFFFAOYSA-N 394.385 4.264 0 1 GIAF CNCc1cc(O)ccc1C[C@@H]1CCC[C@@H]([C@@]23CC[C@@H]([C@@H](N)C2)C(C)(C)O3)C1 2356360287 CKLMHNRBOGLRQK-GOYBLORFSA-N 386.580 4.136 0 1 GIAF CC(=CCC[C@@]1(C)C=Cc2c(O)cc(C)c(C=O)c2O1)CC[C@@H](O)C(C)(C)O 2356789011 CUBOHSIABUSNJM-OFNKIYASSA-N 388.504 4.316 0 1 GIAF CSc1ncccc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C)c(C)c1 12479124 AVPOWZDSXIFMHT-IBGZPJMESA-N 392.528 4.413 0 3 GIAF CCC(=O)c1cn([C@H](CCC(OC)OC)CC(=O)OC(C)(C)C)cc1CC 15974652 VEEFPMBCCJYPKM-MRXNPFEDSA-N 381.513 4.315 0 3 GIAF CSCC[C@@H](C(=O)NC1CCCC1)n1c(-c2ccccn2)nc2ccccc21 95570257 RRDAYEPJZNOGOI-FQEVSTJZSA-N 394.544 4.451 0 3 GIAF O=C(OCc1ccccc1)N1CC[C@H]2C[C@H]1c1cc(N3CCOCC3)ccc12 102802860 VFVOMJYPBNXRLG-AVRDEDQJSA-N 378.472 4.094 0 3 GIAF Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1cc2ccccc2oc1=O 1658555 MFAHVZJDXMXBKR-UHFFFAOYSA-N 397.843 4.460 0 1 GIAF CCN(C(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccc(C)c(C)c1 2498440 YHBJMUXAPXQCPI-UHFFFAOYSA-N 391.920 4.316 0 1 GIAF CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3noc(-c4ccccc4)n3)ccc21 28563260 ZQDIFUYLRKDKJY-ICSRJNTNSA-N 392.455 4.499 0 1 GIAF CN(CCCCOCC(=O)O)c1cc(-c2ccccc2)c(-c2ccccc2)nn1 28825570 GTEOBYIKPWIESK-UHFFFAOYSA-N 391.471 4.128 0 1 GIAF COC(=O)[C@H]1[C@@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2cccc(OC)c2)cc1 38192609 WZOWKFNPGXEKBJ-RMOXOQIUSA-N 389.495 4.401 0 1 GIAF CCN(C)c1ncc(C(=O)NCc2ccccc2Cl)c(-c2ccccc2F)n1 82152729 NZQUMOHAJPFDFK-UHFFFAOYSA-N 398.869 4.322 0 1 GIAF COCCn1c(-c2cccs2)nc2c(NCCCc3ccccc3)ncnc21 82179956 CQDGVCPGAXYHOX-UHFFFAOYSA-N 393.516 4.246 0 1 GIAF CCNC(=O)c1ccc(C(=C2C[C@@H]3CC[C@@H](C2)N3)c2cccc(OC)c2)cc1 100815751 YKYYEYSPBCTWSR-SFTDATJTSA-N 376.500 4.161 0 1 GIAF O=C1C[C@@H](c2ccccc2Cl)C(=O)N1CN1CCC(Cc2ccccc2)CC1 103155726 QXYUMXGQSDYVOM-FQEVSTJZSA-N 396.918 4.095 0 1 GIAF COC(=O)[C@]1(c2ccccc2)C(=O)N(C(C)(C)c2cccc(Cl)c2)C=C1C 103276677 IHWBNGNHNJKPON-JOCHJYFZSA-N 383.875 4.432 0 1 GIAF O=C(O)[C@H](CC(=O)C1(S)CCCCC1)Cc1ccc(Br)cc1 219763362 PSCVHSQFNDCQCN-ZDUSSCGKSA-N 385.323 4.284 0 1 GIAF COc1cccc(CN(C)CCOc2ccc3c4c(c(=O)oc3c2)CCCC4)c1 221971257 GUPUZWRGJITBCC-UHFFFAOYSA-N 393.483 4.191 0 1 GIAF NC(=O)c1cncc(Oc2ccc3c(NC(=O)c4ccccc4)cccc3c2)c1 299838285 UKHSBPOBQABGTI-UHFFFAOYSA-N 383.407 4.378 0 1 GIAF COc1ccc(S(=O)(=O)Nc2ccc(-c3cccnc3)c3cccnc23)cc1 473169835 OFJDVIZGNKANHZ-UHFFFAOYSA-N 391.452 4.106 0 1 GIAF Fc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587000683 JPTNDOAKJBWBFO-DAFODLJHSA-N 375.197 4.406 0 1 GIAF Cc1c(Br)cnc2[nH]c(-c3cccc(-c4csc(=N)[nH]4)c3)nc12 587020604 CFKDVXAJBINWKX-UHFFFAOYSA-N 386.278 4.232 0 1 GIAF N[C@@H](c1ccsc1)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587025774 QMZHZGCSYFTTQP-JTQLQIEISA-N 376.201 4.454 0 1 GIAF N[C@H](N=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587075377 CILFDYPNAHPRAH-QGZVFWFLSA-N 379.807 4.375 0 1 GIAF Fc1ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c2c1Br 587090916 BQQIZGXGQBBHGN-UHFFFAOYSA-N 390.134 4.468 0 1 GIAF N=C(N)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587124423 WXZJOYBYJMPTNK-UHFFFAOYSA-N 380.395 4.179 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(F)cc(Br)cc31)O2 587386278 JAICTYSBCWCNNF-GOSISDBHSA-N 392.224 4.122 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C[C@H](C)C(=O)O)(c1ccc(OC)cc1)CC2=O 587483002 SZDQXXMYYSXANF-LFVRLGFBSA-N 398.455 4.325 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccnc1Br 587543164 HWEYYTVXLOEJDR-QAPCUYQASA-N 398.212 4.253 0 1 GIAF Cc1cc(C)cc(OCc2nc3cccc(I)c3[nH]2)c1 587563882 BGTAQVNDPMORKX-UHFFFAOYSA-N 378.213 4.363 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ncnc2Cl)N1 587705688 NWLVQNZSFLCUCK-PWCHPLFNSA-N 391.071 4.309 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc3c(Cl)n[nH]c23)N1 587707852 XGXGMAUGVKKRFN-WJWGPLDTSA-N 395.663 4.137 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(=O)c2ccc(F)c(F)c2)N1 587726065 UDQYQSPBXPHFLL-BCTVWOGZSA-N 384.195 4.325 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cc(F)cc(F)c32)N1 587737708 GQLZIDMHRWDSDX-DYBLOJMWSA-N 398.222 4.427 0 1 GIAF COc1ccc2c(c1F)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587738550 PFBWIMXQLUUCPP-DGIBIBHMSA-N 394.259 4.460 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2N(C)C)N1 587757382 USCVTCLEIKZRCG-BLVKFPJESA-N 377.301 4.452 0 1 GIAF COC(=O)c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2n1 587784365 QZTFGVBRUNGIKY-NTEUORMPSA-N 385.423 4.494 0 1 GIAF COc1n[nH]c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 587791475 FWOWHSHGWGONOS-VVVCHXIZSA-N 390.256 4.097 0 1 GIAF CCC[C@@]1(c2c[nH]c(C(=O)O)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795972 ZBKFNBMSQIDPEY-YPMLDQLKSA-N 395.272 4.192 0 1 GIAF NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(OCc2ccccc2)cc1 653721364 CHZAIOXTFUWBNH-XMMPIXPASA-N 397.478 4.495 0 1 GIAF CCC[C@@]1(CCCCCCC(=O)OCC)N[C@H](C(=O)O)Cc2cccc(F)c21 962901646 JYMXQGIFHABNGT-AVRDEDQJSA-N 393.499 4.324 0 1 GIAF CCOC(=O)C[C@]1(c2ccc(F)c(C)c2)c2c(F)cccc2C[C@H]2CCCN21 963101848 MESQWDRMQNXZKR-JPYJTQIMSA-N 385.454 4.491 0 1 GIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CC[C@]3(CCOC3=O)O2)[C@@]2(C)CCCC(C)(C)[C@@H]12 2356340431 OVICILMSQORLAX-KBBYRGJNSA-N 378.509 4.025 0 1 GIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CC[C@]3(COC(=O)C3)O2)[C@]2(C)CCCC(C)(C)[C@H]12 2356663785 VMSPIYCFMMEMSY-PTCDVPAOSA-N 378.509 4.025 0 1 GIAF CCCCC(=O)N(C)c1c(C)nc2ccc(C(=O)Nc3cccc(OC)c3)cn12 61908760 FCHQLIRPKIYVNW-UHFFFAOYSA-N 394.475 4.057 0 3 GIAF COc1cccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)c1 13443451 MOEVUYXPOZLPNN-UHFFFAOYSA-N 381.520 4.162 0 1 GIAF CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2F)C2=C(O)CC(C)(C)CC2=N1 20028832 ODLYTPDXYHNVMT-HXUWFJFHSA-N 398.478 4.129 0 1 GIAF CC[C@](O)(c1ccccc1)N1CCC(NC(=O)c2cccc3ccccc23)CC1 28707238 GZABSIWUPRMDGW-VWLOTQADSA-N 388.511 4.289 0 1 GIAF COC(=O)C[C@H](c1ccccc1)[C@@H](C(=O)N(C(C)C)C(C)C)c1ccccn1 34987614 WOGRFKYSUMJXDZ-DENIHFKCSA-N 382.504 4.158 0 1 GIAF Cc1cc2c(s1)c1cnn(Cc3ccc(C(F)(F)F)cc3F)c(=O)c1n2C 36380276 GRPGTKQXMLJTDC-UHFFFAOYSA-N 395.381 4.464 0 1 GIAF O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CS[C@@H](Cc2ccccc2)N1 40979525 FJUZXPCCIRYMQU-GOTSBHOMSA-N 386.520 4.470 0 1 GIAF CC[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95577616 PXKZQMZYUXDERS-HXUWFJFHSA-N 384.907 4.255 0 1 GIAF O=C1c2cc(OCCO)ccc2COc2cc(Nc3ccc(F)cc3F)ccc21 103271958 MVRYLLTZTSXXKV-UHFFFAOYSA-N 397.377 4.203 0 1 GIAF Cc1onc(-c2cc(F)ccc2F)c1COc1ccc(C(=O)NC(C)C)cn1 141363893 TWWYTHKALZPAEZ-UHFFFAOYSA-N 387.386 4.040 0 1 GIAF CSc1ncccc1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)CN2C 141474956 PCQNVXFQLZSQQE-COFLGROHSA-N 381.545 4.149 0 1 GIAF O[C@H](COc1cccc(-c2ccc(F)cc2)c1)CN1CCc2ccccc2C1 219737227 NCSFXEDHUUAETC-QHCPKHFHSA-N 377.459 4.291 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 586916868 PFEFYJVCWXGWRY-KZULUSFZSA-N 375.350 4.193 0 1 GIAF O=C(O)CSc1ncccc1-c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 586967202 QJDNRAXYXUDJBM-UHFFFAOYSA-N 387.770 4.474 0 1 GIAF CC(=O)N[C@@H](Cc1nc2ccc(Cl)cc2[nH]1)c1ccc(Br)cc1 586984079 CBUAKDRZGLKVGC-HNNXBMFYSA-N 392.684 4.399 0 1 GIAF O=C(O)Cc1c(-c2ccccc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990937 OOWJIPLQBUUOFO-UHFFFAOYSA-N 381.387 4.446 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(C(F)(F)F)cc3C(=O)O)nc2c1 587107482 ARQLQFAWSSOCGG-UHFFFAOYSA-N 398.724 4.387 0 1 GIAF COc1cc2c3c(c1)OC1(CCN(Cc4ccccc4Cl)CC1)[C@@H](C2)C3=O 587417361 CIPYQDJCSACLSY-KRWDZBQOSA-N 383.875 4.131 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(F)ccc1Br)[C@@H](C2)C3=O 587425802 HRYOTSJKRXCOMT-UGSOOPFHSA-N 377.209 4.260 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCc4c(Br)ccc(F)c41)[C@@H](C2)C3=O 587426384 CXJQMJGFRBPMIZ-BUXKBTBVSA-N 389.220 4.186 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C)CC2=O 587478823 TYTKVOFMYNFGFQ-FPTDNZKUSA-N 389.492 4.326 0 1 GIAF COc1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587558433 SFMDJZWAWBABNK-RXVVDRJESA-N 384.334 4.382 0 1 GIAF COc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587585772 GASKTOFRGINXMG-UGKGYDQZSA-N 377.396 4.116 0 1 GIAF CCCOc1ncccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586760 JPMPIHFPFGAHFR-WIYYLYMNSA-N 377.396 4.279 0 1 GIAF CCOC(=O)c1ccsc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614846 VLDAPISGINLZIA-APWZRJJASA-N 396.420 4.333 0 1 GIAF CN1CCN(c2c(-c3ccc(Br)cc3)[nH]c3cc(F)ccc23)CC1 587632776 PPAITWAEHIUIPA-UHFFFAOYSA-N 388.284 4.488 0 1 GIAF COc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1O 587713348 BYCSWXJCQPDJJH-LZVRBXCZSA-N 398.247 4.239 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2ccncc2)N1 587757047 UFNCTFMHJCCWHO-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccco3)n(C)n2)N1 587762852 GNIIXULUZHSFLD-MGNBDDOMSA-N 390.256 4.205 0 1 GIAF CCc1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 587769461 GGTAXWQYDDFUFO-ZMZPIMSZSA-N 388.284 4.422 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cccnc1-c1ncccc12 587779794 WBJVOLSKCFDCEO-NSHDSACASA-N 396.263 4.185 0 1 GIAF Cc1ccc2c(c1)[C@]1(CCO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587834599 LPLZFFFEJAXOOX-BLVKFPJESA-N 376.269 4.457 0 1 GIAF COc1cc2c(cc1OC)[C@@]1(C[C@H]2N)NCCc2cccc(-c3ccccc3)c21 962666528 MWRNOAKNNFMEMY-PXDATVDWSA-N 386.495 4.164 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1c(C)cc(OC(C)=O)cc1C 963038096 RMJRMNDFPFCUSF-HSZRJFAPSA-N 376.456 4.021 0 1 GIAF CC[C@H](C)[C@@]1(C(C)C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963148372 QAGJTWBZUSIBKB-PJFSTRORSA-N 382.526 4.287 0 1 GIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc(S(C)(=O)=O)c(OC)c1 963234009 DTQJHIGDXTXFJS-ZHRRBRCNSA-N 387.545 4.019 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]2(CCC(=O)O)c1cc(C)sc1C 963269944 MZKFFAITHJSUTM-IBGZPJMESA-N 379.909 4.281 0 1 GIAF CCOC(=O)CC[C@@]1(c2cccc(Cl)c2Cl)NCCc2ccc(O)cc21 963341992 PVRXYEVBBVNFTH-FQEVSTJZSA-N 394.298 4.432 0 1 GIAF COc1ccc(N[C@@H]2CCCN(Cc3cccc4cnccc34)C2)cc1OC 12307539 KUIGPSWIVPXNAY-HXUWFJFHSA-N 377.488 4.329 0 3 GIAF O=C1Nc2ccccc2C(=O)[C@H]2[C@H]1[C@](O)(c1ccccc1)C[C@H]2c1ccccc1 5956064 UZEGZIRZTKQDJC-SCIUHPPWSA-N 383.447 4.129 0 1 GIAF CCCNC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)C1 6772215 AGGLLDJHFYSING-MRXNPFEDSA-N 375.900 4.042 0 1 GIAF CC(C)Cc1c(C(=O)O)c(C(F)F)nc(C(F)(F)F)c1C1=NCCS1 13827923 QPTHDQGQQNHRED-UHFFFAOYSA-N 382.354 4.428 0 1 GIAF C[C@H]1[C@@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 17250836 VEINRYGCKDRNLM-UQDCGMOVSA-N 380.488 4.064 0 1 GIAF Cc1cc([C@@H](c2ccc(OCc3ccccc3)cc2)N2CCN(C)CC2)sn1 28248928 FDLGIFITIZZEHO-HSZRJFAPSA-N 393.556 4.367 0 1 GIAF c1csc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)c1 28903505 OBOJTPPADQUWFB-FGZHOGPDSA-N 398.572 4.132 0 1 GIAF CCOc1ccc(C[C@@H]2CN3C(=NC[C@@H]3C)N2CC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 40940635 ZMGRVWMXWPRHFE-TXZRGUEPSA-N 381.564 4.198 0 1 GIAF Cc1cc[s+](-c2c(C3CCC(S(C)(=O)=O)CC3)occ(Cl)c2=O)c1 66058839 XOYKGGIJHMTPGY-UHFFFAOYSA-N 387.930 4.411 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)CCC(=O)O)CC[C@]34C)[C@@H]1CCC2=O 87527587 ZXXJWQGLXHCSFH-YZGNVQHTSA-N 390.520 4.375 0 1 GIAF in-vitro COc1cc([C@@H]2C3=C(O)OCC3=Nc3cc4c(cc32)CCC4)cc(OC)c1OC 100872794 WMWOJNSMADLFFN-FQEVSTJZSA-N 393.439 4.219 0 1 GIAF CCCC(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167017546 XJNAYOFGFVEMQW-UHFFFAOYSA-N 390.487 4.045 0 1 GIAF CC(=O)N1CCC(C(=O)Nc2ccc([C@H]3CC[C@H](N4CCC[C@@H]4C)C3)cc2)CC1 199825811 RWVQOEJTUMUHQH-HYVJGQCMSA-N 397.563 4.004 0 1 GIAF O=C(Nc1ccnc(O)c1)c1ccc(C(F)(F)F)cc1O[C@@H]1C[C@@H]2C[C@@H]2C1 261173499 UGWDFRBDGPKGJG-YABSGUDNSA-N 378.350 4.236 0 1 GIAF Cn1nccc1[C@@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586988053 WYZGGGWBCZSSGW-CYBMUJFWSA-N 381.435 4.158 0 1 GIAF Clc1cncc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587018887 QTRTZZKTTCLONW-UHFFFAOYSA-N 384.848 4.097 0 1 GIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccc(OC(F)(F)F)c2[nH]1 587174777 MBGCFHMTUIDDPR-LBPRGKRZSA-N 378.329 4.324 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c4cccc(OC)c14)[C@@H](C2)C3=O 587444203 SSQURDGREHTHFM-HJPURHCSSA-N 376.408 4.354 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(SC(C)C)nc4sccn14)[C@@H](C2)C3=O 587454097 UVQBZARJXONMLO-YVEFUNNKSA-N 386.498 4.394 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCn1cncn1)(c1ccc(C)cc1)CC2=O 587481935 YCENBGNCZSXBGQ-HSZRJFAPSA-N 391.471 4.196 0 1 GIAF O=C1C[C@@H](c2cc(O)c(Br)cc2O)Oc2c1ccc1c2CCCC1 587496952 AZNDYLUWFDYHKQ-SFHVURJKSA-N 389.245 4.446 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518786 PRLPSEYEGQDGJE-HOSQHVHZSA-N 383.488 4.156 0 1 GIAF CN1C(=O)CS/C1=C/[C@@]1(c2ccco2)CC(=O)c2ccc3c(c2O1)CCCC3 587537212 BUEGIAYMPCAHBK-FNUHDPNESA-N 395.480 4.066 0 1 GIAF CC(=O)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546055 HWDGIFXDKOIREF-KNQAVFIVSA-N 394.810 4.492 0 1 GIAF C[C@]1(COc2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566950 CNPBRRZKYBHUNX-DENIHFKCSA-N 398.361 4.470 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc(F)ccc12 587569829 MIADOIFWBGFAJK-DENIHFKCSA-N 378.355 4.171 0 1 GIAF Cn1nccc1[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581757 MHHQWOUTBWUBEC-ZNRXUEPQSA-N 390.439 4.184 0 1 GIAF Cn1cc2c([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc2n1 587584022 YKPVUOMWYYMECP-NFBKMPQASA-N 386.407 4.156 0 1 GIAF Cc1ccn2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(C)nc2c1 587589273 UJCRCZXILYAPHF-AUSIDOKSSA-N 386.407 4.360 0 1 GIAF CC(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587616040 YRXUHCYSAWNTEL-PXNSSMCTSA-N 381.409 4.115 0 1 GIAF C[C@@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2c(C(=O)O)cccc12 587637023 TVSXHHZPJABXGE-SECBINFHSA-N 388.217 4.484 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(cnn3C)c2)N1 587755484 ABNNSFCDJRKTEG-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccnc2)(c2ccccn2)N1 587769868 GXPOCQYMCRNIBX-RBZFPXEDSA-N 398.279 4.204 0 1 GIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Br)c(F)ccc3[nH]2)cc1 587785340 NCOKAJMWZUMGSV-RYUDHWBXSA-N 389.224 4.408 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)CNCC3)N1 587799496 XJWPYKUPUHPUKS-ODXCJYRJSA-N 389.312 4.032 0 1 GIAF C/C=C\CC[C@]1(CC(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587803676 BFJPFGYBKDFWLS-AEXBRQSZSA-N 384.289 4.237 0 1 GIAF COCOc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587804966 GBVDSUJPBCNHHR-CWTRNNRKSA-N 394.284 4.369 0 1 GIAF CCOCc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587854112 PULOPZPIVFRASH-ABKXIKBNSA-N 385.302 4.205 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccc(-c2ccco2)n1 587868236 JAFXGXIZSLNFJN-UHFFFAOYSA-N 387.321 4.012 0 1 GIAF COc1ccc([C@H](C)NC(=O)c2coc(-c3ccc(OC)c(OC)c3)c2)cc1 621431164 VXTBXCRVSYVHKQ-AWEZNQCLSA-N 381.428 4.463 0 1 GIAF Cn1cc([C@H]2c3ccsc3CCN2C(N)=O)c2cc(Br)ccc21 962696000 FETXRRURIFVAAH-MRXNPFEDSA-N 390.306 4.029 0 1 GIAF COc1cccc([C@H]2c3ccsc3CCN2Cc2cccnc2)c1OC(C)=O 963007836 KBNQSYOQVHTCPO-OAQYLSRUSA-N 394.496 4.225 0 1 GIAF Cc1cc(Br)c(F)cc1[C@@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963023780 KZOHZEVIIQUGKE-JEOXALJRSA-N 389.268 4.039 0 1 GIAF Fc1cccc2c1[C@@H](c1cc(-c3ccc4c(c3)OCO4)no1)N1CCC[C@@H]1C2 963101785 LXTTYIGFEOXIMJ-IVZQSRNASA-N 378.403 4.319 0 1 GIAF C[C@]1(c2ccc(S(=O)(=O)C(F)F)cc2)c2c(F)cccc2C[C@H]2CCCN21 963119000 YLGAHIWZLOSSLG-QRWLVFNGSA-N 395.446 4.106 0 1 GIAF Cc1ccc(CN2CCC[C@@H](N3CCC(c4ccc(O)cc4)CC3)C2=O)cc1 1772618845 GVYFNDGMWJKNNJ-HSZRJFAPSA-N 378.516 4.071 0 1 GIAF Cc1ccc(Nc2nc3cc(Oc4ncnc5c4cnn5C)ccc3n2C)cc1 1857633055 WSDLNWNQRXAJEO-UHFFFAOYSA-N 385.431 4.094 0 1 GIAF CC=C(C)C(=O)O[C@H](C)[C@H](OC(=O)C(C)=CC)c1cc2c(c(OC)c1)COC2 2356514418 FPNDMJFSLCQGMU-QRWLVFNGSA-N 388.460 4.174 0 1 GIAF CC(=O)OC[C@@H]1c2cc(C(C)=O)ccc2[C@]2(C)CCC[C@@](C)(COC(C)=O)[C@@H]12 2356583658 CURFKBQZBNWQKE-LGKPFJOYSA-N 386.488 4.177 0 1 GIAF CC(C)(C)CNC(=O)[C@]1(C)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61905714 FRDFFTPNTHSKJF-DEOSSOPVSA-N 378.516 4.049 0 3 GIAF CC(C)C[C@@H]1NC(=O)c2cc(Cl)ccc2-n2c1nc1cc(F)ccc1c2=O 61949355 PAQMPPYZVHANRF-INIZCTEOSA-N 385.826 4.009 0 3 GIAF CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)NCCCOC)c1 2482381 MMTNADZVHPCOEQ-UHFFFAOYSA-N 398.434 4.313 0 1 GIAF CC(C)=CCC[C@]1(C)Oc2c(c(O)cc(O)c2C(=O)c2ccccc2)C[C@@H]1O 13403662 FVSFDNITEZDVAF-CVDCTZTESA-N 382.456 4.130 0 1 GIAF biogenic CC(C)c1ccc2c(c1)[C@@H](N1CCN(CCO)CC1)C[C@H]2c1ccc(F)cc1 22937897 LUZRJLPCCNZOME-UPVQGACJSA-N 382.523 4.136 0 1 GIAF COC(=O)[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@H]1O2 26579392 IXQQMWIAXLMOHP-ZGXWSNOMSA-N 388.410 4.180 0 1 GIAF CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCCN(CCCc2ccccc2)C1 27207306 KTFDVFAZYXCZBS-NRFANRHFSA-N 394.515 4.147 0 1 GIAF CCOC(=O)N1CCN(C2=Nc3ccccc3Nc3sc(CC)cc32)CC1 28004642 DKVRLRBOXKLDNN-UHFFFAOYSA-N 384.505 4.220 0 1 GIAF CN1C[C@@H](C[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c2ccccc21 36310745 OHOJWIUYNABDSD-DENIHFKCSA-N 395.506 4.493 0 1 GIAF Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccc4c(c3)OCCO4)s2)c1C 43010564 ATHZSHXZRMFCBP-UHFFFAOYSA-N 395.484 4.462 0 1 GIAF NCCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@@H]1c1c[nH]c2ccccc12 49808168 RZWDIJSUPRNDRE-QFIPXVFZSA-N 392.890 4.126 0 1 GIAF COc1cc(CNc2cc(Oc3ccccc3F)ncn2)cc(OC)c1OC 82067462 VGGAUVUUKVZSEP-UHFFFAOYSA-N 385.395 4.046 0 1 GIAF CCOC(=O)c1c(OC2[C@H](C)CCC[C@H]2C)cc(Cc2ccccc2)[nH]c1=O 95591972 IMRFTOQIMMCKAL-HZPDHXFCSA-N 383.488 4.346 0 1 GIAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@H](c2ccc(F)nc2)NC(=O)N1 206328991 CLPACMYWDODQTI-SFHVURJKSA-N 391.431 4.001 0 1 GIAF c1ccc2c(c1)N[C@H]([C@@H]1O[C@@H]3CCCN3[C@@H]1[C@@H]1Nc3ccccc3S1)S2 263607831 SKSITQFSDMBHNB-IVDHNXQLSA-N 383.542 4.264 0 1 GIAF COc1ccc(CNCCCN2CCC(Cc3ccccc3)CC2)cc1OC 299859732 YIGNCFUWSRKQQO-UHFFFAOYSA-N 382.548 4.138 0 1 GIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(O)cc4[nH]3)c2)cc1 586931331 RBVOYVZUBYTNIU-UHFFFAOYSA-N 393.468 4.069 0 1 GIAF CC[C@@H](c1nc2c(C)ccc(C)c2[nH]1)n1cc(I)c(C)n1 587184066 CIIGMXNDJUSDDI-ZDUSSCGKSA-N 394.260 4.289 0 1 GIAF Cc1nc(O)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336163 JHUGVDYYEJLHGI-UNMCSNQZSA-N 379.387 4.215 0 1 GIAF CNc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1N 587339450 RTLZWBBKIWBVSK-JTHBVZDNSA-N 392.430 4.430 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(NC3=NCCCS3)cc1)O2 587415960 ZNKCGXLCEOGLAQ-NRFANRHFSA-N 381.501 4.363 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(N3CCCCC3)nc1C)CC2=O 587473950 CXMLOOQJNWBQOE-HSZRJFAPSA-N 395.503 4.314 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCOCC3)s1)CC2=O 587494492 MBNODSPTPCRRAN-NRFANRHFSA-N 387.501 4.123 0 1 GIAF CN1CCC[C@@H]1[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581372 HGBWANQOFNQSNV-KUIWHINRSA-N 393.483 4.377 0 1 GIAF CCC[C@]1([C@@H](C)C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597263 QKJPVGJTCXHDGR-GKIWIXTESA-N 384.428 4.092 0 1 GIAF COc1cccc2c1CC[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602136 WOEWJEHYMIVYDG-XUZZJYLKSA-N 388.419 4.290 0 1 GIAF CC(C)(O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611760 UBHCRHYSKBHYTC-AUSIDOKSSA-N 376.408 4.020 0 1 GIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-n1nc(Cl)nc1Cl 587621878 NGKJVTJQLSZENM-UHFFFAOYSA-N 386.040 4.003 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc(F)cc(F)c32)N1 587737711 GQLZIDMHRWDSDX-YYSFKGJASA-N 398.222 4.427 0 1 GIAF CC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587745887 XMBBFIILCIYARZ-WLRWDXFRSA-N 391.284 4.344 0 1 GIAF Cc1ccc2nc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cn2c1 587775495 RDBNJNXMUWFLGS-BLVKFPJESA-N 388.284 4.342 0 1 GIAF CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CO 587801321 JXIZDOSCNRYVAV-JEOXALJRSA-N 394.284 4.103 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1OC[C@@H]2C 587832735 CMHPNOURPYFLLT-AVCJSFLBSA-N 376.269 4.395 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)OCCO3)N1 587836691 XJJKJHTYGCNJLL-JEOXALJRSA-N 392.268 4.157 0 1 GIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(C)c(Br)cc3[nH]2)cc1 587938044 SDSQYCOMCHFEMX-APPDUMDISA-N 375.266 4.480 0 1 GIAF COc1cccc([C@H]2c3nn(C)cc3CCN2C)c1OCc1ccc(Cl)cc1 963954063 GMCAAYAYUAUXAG-NRFANRHFSA-N 397.906 4.238 0 1 GIAF O=C(Nc1ccc(NC(=O)N2Cc3ccncc3C2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 1772608090 HFJHDTYVLNWPGH-AVYPCKFXSA-N 376.460 4.004 0 1 GIAF N=C(N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCCC1CC1 1857542957 YKQFMVQLQMDERE-UHFFFAOYSA-N 375.476 4.152 0 1 GIAF c1ccc(Nc2ncnc3ccc(-c4cccc(N5CCOCC5)c4)cc23)nc1 1857630028 YPVHPGTZAGUBRL-UHFFFAOYSA-N 383.455 4.272 0 1 GIAF CCc1cc2c(nc1CC)CCCN2S(=O)(=O)c1ccc(C(F)(F)F)cc1 199725404 XATDWVGOJOTNRJ-UHFFFAOYSA-N 398.450 4.367 0 3 GIAF O=C(O)CCCCCCCn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O 1537217 GQGBPFZMKGTUMN-UHFFFAOYSA-N 391.471 4.398 0 1 GIAF Cc1ccc2c(c1)-c1onc(C(=O)N3CCCC[C@@H]3c3cccnc3)c1CO2 6792914 IVCXFKFEMIEJHP-GOSISDBHSA-N 375.428 4.305 0 1 GIAF O=C(CC1CCCCC1)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21 13455255 AYWGNPUJWNXZNH-LSDHHAIUSA-N 385.291 4.390 0 1 GIAF Cc1cc(C)c(C[P@](=O)(O)C[C@@H](O)CC(=O)O)c(-c2ccc(F)c(C)c2)c1 26746879 XUWHWHKLDSCKDJ-INIZCTEOSA-N 394.379 4.024 0 1 GIAF CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(C(=O)c2ccccc2)s1 36176605 RVLJEGBWNLRDDQ-ODOSVJCGSA-N 391.492 4.027 0 1 GIAF CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H]4CC[C@@H](C(=O)O)N4)cc3)no2)cc1 36178483 XXVGJGHFHPWZAV-PMACEKPBSA-N 391.471 4.480 0 1 GIAF CC(=O)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 40972258 ZWLQIWVDNODMEB-UHFFFAOYSA-N 376.406 4.461 0 1 GIAF CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)CCCC(=O)O 45195767 NZKNFLZRRNCWCH-UHFFFAOYSA-N 399.516 4.203 0 1 GIAF CCOc1ccc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccccc2F)cc1 66148766 APHHLFBFWVOJET-IBGZPJMESA-N 379.435 4.218 0 1 GIAF O=C(O)CCCCCCN1C(=S)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(F)c1 73198648 XIYJUZDXEOVVOG-AYLUNBTKSA-N 393.524 4.112 0 1 GIAF Cc1ccnc(NC(=S)N2CCN(c3cccc(C(F)(F)F)c3)C[C@@H]2C)c1 95566792 RKRFZLRZYOFOKN-AWEZNQCLSA-N 394.466 4.316 0 1 GIAF COC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@@H]1O2 100795993 IXQQMWIAXLMOHP-MUGJNUQGSA-N 388.410 4.180 0 1 GIAF COC(=O)c1nc2n(n1)[C@H](c1cccc(Cl)c1)C1=C(O)CC(C)(C)CC1=N2 102383469 SMWGNOBSKVAVGV-OAHLLOKOSA-N 386.839 4.026 0 1 GIAF aggregator Cn1cc(C(=O)Nc2ccc(F)cc2F)c(Oc2cc(C(F)(F)F)ccn2)n1 103294666 GZEFOVFMIAUIRM-UHFFFAOYSA-N 398.291 4.157 0 1 GIAF CCOc1ccccc1[C@@H]1/C(=C(\O)OC2CCCCC2)C(C)=Nc2ncnn21 103531692 LYQKMKINZDJXCC-LFVOPCPISA-N 382.464 4.491 0 1 GIAF CC(C)=C1C[C@@](C)(c2cc(NC(=O)c3cnc(C)cn3)ccc2F)N=C(N)S1 139581689 CZUZBVXITXQFIC-FQEVSTJZSA-N 399.495 4.137 0 1 GIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(N(C)C)c3)cc2)C[C@@H]2CC[C@@H]1N2C 169361477 GLJUXNMBHHRFQA-GSPCLOLRSA-N 378.516 4.159 0 1 GIAF COc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)cc3)nc(C(F)(F)F)c12 209327853 QIFITQKPSPSNHJ-MRVPVSSYSA-N 397.332 4.007 0 1 GIAF O=S(=O)(/C=C/c1nc2cc(Cl)cc(Br)c2[nH]1)c1ccccc1 586925620 HXYZNTIABHFNDU-VOTSOKGWSA-N 397.681 4.423 0 1 GIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(Br)cc2[nH]1 587039013 DLQQAPXZNVWIGT-LBPRGKRZSA-N 384.299 4.308 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(F)cc(Br)c2[nH]1 587042221 KAXJXFIDJSGEOA-NSHDSACASA-N 386.290 4.085 0 1 GIAF FC(F)(F)Oc1ccc2c(-c3nc4nccc(Br)c4[nH]3)n[nH]c2c1 587122756 XKBBHVRZEBFBDZ-UHFFFAOYSA-N 398.142 4.162 0 1 GIAF Cc1cc(-c2nc3c(C)c(C)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123020 AUMBUDDECBFKCP-UHFFFAOYSA-N 383.395 4.417 0 1 GIAF COc1ccc(C(=O)c2ccccc2-c2nc3cncc(OC)c3[nH]2)cc1F 587145347 XARSOEMOWRUXBQ-UHFFFAOYSA-N 377.375 4.012 0 1 GIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)cc1 587244396 HCINFCUEIDTXAM-UHFFFAOYSA-N 386.333 4.120 0 1 GIAF Cc1nn(C)c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342256 MMFXASCRXRESGI-IFMALSPDSA-N 380.419 4.156 0 1 GIAF COC(=O)C[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587381124 GKORMWYKYZDHFL-LJQANCHMSA-N 393.361 4.020 0 1 GIAF CCN(CC)C(=O)Nc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587388243 YXTVXTDCZNTCDB-QFIPXVFZSA-N 381.476 4.332 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](COc1ccc(C=O)cc1)(c1ccccc1)O2 587402319 XFNICMHTRCFAKG-XMMPIXPASA-N 387.435 4.329 0 1 GIAF CCOC(=O)[C@@]1(c2ccc(C(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444475 ZFEAQCFYFVEFGQ-JPYJTQIMSA-N 380.440 4.025 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cnc(OC)c1OC)CC2=O 587462542 PCQOBUJAHJZIDM-OAHLLOKOSA-N 377.824 4.117 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)c(C(=O)OC)c1)CC2=O 587476281 AMSKLEJISZHATA-HXUWFJFHSA-N 384.428 4.237 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(SCC)ccc21 587493976 VFKMXPJSYHCSEW-NRFANRHFSA-N 383.469 4.270 0 1 GIAF CC(=O)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546059 HWDGIFXDKOIREF-UGKGYDQZSA-N 394.810 4.492 0 1 GIAF CCOC(=O)c1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 587624028 WLTQPIYIJNOHED-UHFFFAOYSA-N 385.221 4.045 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccccn2)N1 587773277 QAKRKVUIDPJOIH-ZMZPIMSZSA-N 377.257 4.006 0 1 GIAF COc1ccc(C=O)c(-c2nc3cc(Br)c(C)cc3[nH]2)c1OC 587786675 NYXLYSMTWBMKTJ-UHFFFAOYSA-N 375.222 4.131 0 1 GIAF COCc1ccc(OC)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587799976 CWJLJJYWRQGNAF-WLRWDXFRSA-N 394.284 4.367 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc(C)cc1OC 587871081 YXNGHDCAEKEJHS-UHFFFAOYSA-N 384.407 4.124 0 1 GIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Br)c(F)cc3[nH]2)cc1 587936320 KPKPLHPKOYNYRD-ABKXIKBNSA-N 379.229 4.310 0 1 GIAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587950339 BIKLBHVBKGPSHI-NRXGSXMXSA-N 382.508 4.365 0 1 GIAF COc1cccc(-c2nc3c(NCC4CCN(C)CC4)c(Cl)cnc3[nH]2)c1 653781602 LRXWJPVDBJVSNR-UHFFFAOYSA-N 385.899 4.041 0 1 GIAF O=C(O)CC[C@]1(c2ccc3c(c2)CCC3)c2ccc(F)cc2C[C@@H]2CCCN21 963097593 GXFKOCORZARZER-URXFXBBRSA-N 379.475 4.443 0 1 GIAF CCC[S@](=O)c1sc2nc(-c3cccs3)cc(C(=O)OCC)c2c1N 1772655104 GAZFYONUHWJNBP-VWLOTQADSA-N 394.543 4.301 0 1 GIAF CO[C@H]1Cc2ccccc2C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1 1857629516 MIPCEALSEKXIDY-KWKWTDQQSA-N 398.591 4.320 0 1 GIAF O=C1N(Cc2nc3cc(Cl)ccc3n2CCCCO)c2ccccc2C12CC2 1857749826 HTPLJJNBIXFBLA-UHFFFAOYSA-N 395.890 4.041 0 1 GIAF CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]32)C[C@H]1OC(C)=O 2356609524 DHQLCWJHDQWZLR-NHDWYRNJSA-N 390.520 4.072 0 1 GIAF CC(=O)OCC(=CC(=O)O)CC[C@@H]1C(CO)=CC[C@H]2C(C)(C)CCC[C@]12C 2356615976 OEWYXUOBTOXNMX-XQBPLPMBSA-N 378.509 4.112 0 1 GIAF COC(=O)C1=C(C)N(Cc2ccccc2)C(NCC(C)C)=N[C@H]1c1ccccc1 15937434 NBVRXWUJZIGDPU-QFIPXVFZSA-N 391.515 4.292 0 3 GIAF O=C([C@@H]1C[C@H]1c1ccccc1)N1CC[C@H]2[C@H](CCCN2Cc2ccc(F)cc2)C1 199407913 KRHXYEOCGPZOGN-ONTLXTELSA-N 392.518 4.442 0 3 GIAF O[C@@]12CCCC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N(Cc1ccc(F)cc1)CC2 6576848 NHBIUSXQFCMSRS-WWPVKYPJSA-N 383.463 4.423 0 1 GIAF CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3c(F)cccc3F)ccc2O1 13795392 FCDXIJMOGQMLIG-UHFFFAOYSA-N 393.389 4.418 0 1 GIAF O=C(Nc1ccccc1)OCCC1CCN(C[C@@H]2COc3ccccc3O2)CC1 13813705 SKDDXYKWEBLIJW-HXUWFJFHSA-N 396.487 4.177 0 1 GIAF O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]1CCCNC1 26288418 FIFJMFXFFGFNHW-VFZGTOFNSA-N 378.316 4.305 0 1 GIAF CC(C)Oc1cc(OCC2CCCC2)cc(C(=O)Nc2ccc(C(=O)O)cn2)c1 28521884 USRNBFWZDFSKIX-UHFFFAOYSA-N 398.459 4.388 0 1 GIAF Cc1ccccc1OCC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1 29571486 FNERFHNEKHXCAW-UHFFFAOYSA-N 382.479 4.064 0 1 GIAF COC(=O)C[C@H](c1ccccc1)[C@H](C(=O)N(C(C)C)C(C)C)c1ccccn1 34987615 WOGRFKYSUMJXDZ-KNQAVFIVSA-N 382.504 4.158 0 1 GIAF O=C1OCC2=C1[C@@H](c1cccc(Cl)c1Cl)c1cc3c(cc1N2)OCO3 40421508 UCNXLIJXEYDSHL-HNNXBMFYSA-N 376.195 4.090 0 1 GIAF CCc1c(CN2CCN(C(=O)Nc3cccnc3)CC2)sc2ccccc12 43122800 RKLXUUJYKVIPLY-UHFFFAOYSA-N 380.517 4.208 0 1 GIAF Cc1ccccc1OCCNC[C@@H]1COC(c2ccccc2)(c2ccccc2)O1 49046222 GTSXERKGHGFELV-HSZRJFAPSA-N 389.495 4.280 0 1 GIAF CCCc1nc2c(NCc3ccc(F)cc3)ncnc2n1CC[C@H]1CCCN1C 82185984 DSBYZRSSVQSYSU-GOSISDBHSA-N 396.514 4.014 0 1 GIAF CC(=O)OCC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 84403411 LIZWBGZACPSUNY-PMHSVAMXSA-N 388.548 4.305 0 1 GIAF O=C(O)[C@@H]1CSc2c(C3CC3)c(Cc3csc4ccccc34)cc(=O)n21 84706050 OVWUJMOHNYQOSR-HNNXBMFYSA-N 383.494 4.263 0 1 GIAF COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 98084662 PMMRBDRYCOJUPT-CAHYKURXSA-N 375.553 4.275 0 1 GIAF Cc1cccc2c(=O)[nH]c(-c3ccc(CN4CCC(N(C)C)CC4)cc3)cc12 204944239 ZAVBKFISCRSHAT-UHFFFAOYSA-N 375.516 4.030 0 1 GIAF in-vitro COc1cc(-c2cnc3snc(NC(=O)C4CCCCC4)c3c2)ccc1N 299822070 OFZMBDGBUPSTGF-UHFFFAOYSA-N 382.489 4.468 0 1 GIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN4CCC(N5CCCCC5)CC4)[C@H]3C=C12 504506818 QAWLQHTXXUNGCV-NTNMUZRVSA-N 398.591 4.171 0 1 GIAF biogenic Oc1cccc([C@@H](O)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 586889236 FKBOBHIPYLTXKN-CYBMUJFWSA-N 387.155 4.132 0 1 GIAF CC(=O)c1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1 587001144 CQDQZKPWDONBHU-UHFFFAOYSA-N 383.249 4.120 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cnc(Cl)[nH]c-4n3)c(F)c2)c1 587146987 DVDSEIDSEPICHL-UHFFFAOYSA-N 398.781 4.138 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1nc(Br)ccc1F)CC2=O 587466852 NIDCCCFDTHYDSR-CQSZACIVSA-N 380.213 4.348 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(N(C)C)cc1)CC2=O 587471030 XXNYIJDDBVBLCW-QHCPKHFHSA-N 396.487 4.163 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611474 ROODJOLIXQIFJP-NFBKMPQASA-N 390.391 4.040 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)(c2ccccc2Cl)N1 587696108 KXEVMGAKFUGKHW-DYZYQPBXSA-N 384.676 4.012 0 1 GIAF CCn1ncc(Cl)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587699115 ROUUJMDIJNRZGS-ABKXIKBNSA-N 386.696 4.256 0 1 GIAF CCCC[C@@]1(CC(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587800853 ZYSXMDBDQWLLFJ-XIKOKIGWSA-N 386.305 4.461 0 1 GIAF COc1ccc2c(c1)C[C@@]1(C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587805803 GBXOIJBDFICSSW-NSPYISDASA-N 376.269 4.125 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 587871932 QBGIPXGODNGQKN-ZNAOMFPMSA-N 384.451 4.059 0 1 GIAF Fc1cccc2c1[C@](CSc1nc[nH]n1)(c1ccccc1)N1CCC[C@@H]1C2 963119781 ZIUDYDPQROVUFA-UTKZUKDTSA-N 380.492 4.000 0 1 GIAF C[C@@H](C=CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356853361 RFZOTNNDUHYGNN-ONKRKHDVSA-N 390.564 4.254 0 1 GIAF Cc1cc(N2CCN(Cc3nc(-c4ccc(F)cc4)oc3C)CC2)cc(C)n1 11843064 LFEXHYFIQZMXOT-UHFFFAOYSA-N 380.467 4.123 0 3 GIAF C[C@H](c1ccon1)N(C)C(=O)c1ccc2oc(CCc3ccccc3)nc2c1 12203735 QOPKBRGJGRNUHR-OAHLLOKOSA-N 375.428 4.434 0 1 GIAF O=C(NCC[C@@H]1CN=C(c2ccccc2)c2ccccc2N1)c1cccs1 13525928 VAIUHFYOMQHXGV-QGZVFWFLSA-N 375.497 4.200 0 1 GIAF O=C(NCC[C@H]1CN=C(c2ccccc2)c2ccccc2N1)c1cccs1 13525932 VAIUHFYOMQHXGV-KRWDZBQOSA-N 375.497 4.200 0 1 GIAF COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@@H]23)cc1OC 26506632 SPNSPIATZGICGL-MOPGFXCFSA-N 378.472 4.257 0 1 GIAF O=C(CCCN1CCCC1)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13 28902601 GLDCKTVHDJXJLO-UHFFFAOYSA-N 385.467 4.261 0 1 GIAF COc1ccc(-n2c(SC)nc3sc4c(c3c2=O)CCCC4)c(OC)c1 28948906 ANBGJOMVACCEBM-UHFFFAOYSA-N 388.514 4.065 0 1 GIAF CN1[C@H]2CC[C@@H]1CC(OC(=O)COC1c3ccccc3CCc3ccccc31)C2 42889570 ZLBYCENAJCLADM-WCRBZPEASA-N 391.511 4.060 0 1 GIAF O=C(NCc1ccc(Cl)cc1Cl)N1CCC(O)(Cc2ccccc2)CC1 45339001 JMCAOUXDMAGBDO-UHFFFAOYSA-N 393.314 4.273 0 1 GIAF CC(C)c1nc2c(NCCCc3ccccc3)ncnc2n1C[C@@H]1CCCO1 82180030 MFPZEGOCASIPIV-SFHVURJKSA-N 379.508 4.173 0 1 GIAF Cc1cc(-c2cccc(C(=O)O)c2)c(OCCO)c(-c2cccc(C(=O)O)c2)c1 95585287 JSAFKYKUTAOYCF-UHFFFAOYSA-N 392.407 4.097 0 1 GIAF CCOc1ccccc1NCn1nc(-c2ccc3c(c2)OCCO3)oc1=S 96935209 AHFVZGPOZCASOY-UHFFFAOYSA-N 385.445 4.112 0 1 GIAF O=C1CS[C@H](c2ccccn2)N1c1nnc2c3cc(Cl)ccc3nc-2s1 98083907 BGXJBFIMRZPJSZ-MRXNPFEDSA-N 399.888 4.018 0 1 GIAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)NC4CCCCC4)C[C@@H]2N3)cc1 100109155 YCBKEELBFOOCQV-UBRQYEGLSA-N 389.543 4.444 0 1 GIAF COc1cccc(N(CC2CC2)C(=O)N2CCN(c3ccccc3C)CC2)c1 169341998 WUFORAPUYCXWHQ-UHFFFAOYSA-N 379.504 4.162 0 1 GIAF NCCCNc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1 169703744 HSNCMNDQBZCZLC-UHFFFAOYSA-N 385.874 4.309 0 1 GIAF CNc1nnc(-c2ccc3[nH]cc(-c4cccc(-n5cnc(C)c5)n4)c3c2)s1 204778220 OLKXVDKTEYJKPA-UHFFFAOYSA-N 387.472 4.284 0 1 GIAF CC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2[C@H](C)c2ccc(F)cc2)C1 204890743 RYTBGHVRJZEDBS-OAHLLOKOSA-N 388.446 4.075 0 1 GIAF Cc1ccc(-c2nnc(CS(=O)(=O)C([Si](C)(C)C)[Si](C)(C)C)o2)cc1 205071499 SYOOOTWXLBZZGX-UHFFFAOYSA-N 396.661 4.083 0 1 GIAF CCOC(=O)[C@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C[C@@H]1C 586990445 XRANFISWLYDFCK-WFASDCNBSA-N 387.435 4.066 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(OC(C)C)cc4[nH]3)cc12 587038097 QKEJUEYJLDPOPG-LBPRGKRZSA-N 397.504 4.098 0 1 GIAF N=c1[nH]cc2nc(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc-2[nH]1 587072111 VTBAESKTLRZIME-TWGQIWQCSA-N 377.835 4.120 0 1 GIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cncc(Br)c2[nH]1 587079264 IFIGBCYWCVMOIW-GFCCVEGCSA-N 390.672 4.098 0 1 GIAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587128567 OULYEGGKGMEQDL-UHFFFAOYSA-N 395.398 4.267 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3cc(Br)cn3)cc1)O2 587370029 AMSDCLVBYMPYDA-GOSISDBHSA-N 398.260 4.232 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3cc(C)ccn3c1Br)O2 587371166 DQENMGUUFALRHI-AWEZNQCLSA-N 386.249 4.002 0 1 GIAF COC(C)(Cc1cccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1F)OC 587386193 UBUNXZHOLWTLNV-OAQYLSRUSA-N 387.451 4.148 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OCC(=O)OCC)c1)CC2=O 587480449 JWFUOHXEBFPUNK-QHCPKHFHSA-N 398.455 4.167 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1nc(-c3ccccc3)no1)CC2=O 587486948 UVKVBUJVLGFRRE-JOCHJYFZSA-N 378.428 4.361 0 1 GIAF C[C@@H]1CN(Cc2ccccn2)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517559 PQMRUDFMIAEZMU-MZNJEOGPSA-N 376.500 4.206 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OCCF)cc1 587552590 AXEOPYRVINGMRC-UGKGYDQZSA-N 380.371 4.443 0 1 GIAF CCCCn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587582603 QDTWPOSDQHNYEN-UGKGYDQZSA-N 378.428 4.400 0 1 GIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1N1Cc2ccccc2C1=O 587624177 ZDXIWUXSNXQVLS-UHFFFAOYSA-N 381.233 4.276 0 1 GIAF CC(=O)Nc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587742381 KTZCTYRGVUGMKA-WYRIXSBYSA-N 391.284 4.479 0 1 GIAF Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C(C)C 587763782 MKADGMRDDXLHCG-VOJFVSQTSA-N 380.305 4.472 0 1 GIAF CCCOc1ncccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587772029 MXJOJVKXGGJFQY-PIGZYNQJSA-N 379.273 4.396 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(O)ccc3C2)N1 587834306 RLKIADMSQJKDFJ-JEOXALJRSA-N 376.269 4.212 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(CN(CC)CC)o1 587872313 UEPPNDVKFQKYEQ-UHFFFAOYSA-N 385.439 4.211 0 1 GIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Br)cc(F)c3[nH]2)cc1 587937606 QBVBGYZEERZRBH-ABKXIKBNSA-N 379.229 4.310 0 1 GIAF Cc1ccc([C@]2(c3cc(F)cc(F)c3)NCCc3c(C(=O)O)cccc32)cc1 963131296 NJLFQLCKNGTVJJ-HSZRJFAPSA-N 379.406 4.409 0 1 GIAF COc1ccc(-c2nc(-c3cc(C)nc(C)c3)c3n2C[C@@H](CF)OCC3)cc1C 1772603904 DEMHRVJRBXPRAD-LJQANCHMSA-N 395.478 4.457 0 1 GIAF Cc1ccccc1-c1ccc(COc2cccc(S(=O)(=O)CC(=O)O)c2)cc1 1857645075 GVGFIXJGLJGNDN-UHFFFAOYSA-N 396.464 4.099 0 1 GIAF Cc1cc(C)c(-c2cn(Cc3cc(-c4ccc5c(c4)OCO5)no3)nn2)cc1C 1857769238 FHHSVNSRFLJZRE-UHFFFAOYSA-N 388.427 4.302 0 1 GIAF CC(=O)OCC1=CC[C@](C)(c2cc(Br)c(C)cc2OC(C)=O)[C@H]1C 2356433935 ZJBRKOVNMIPAKM-BUXKBTBVSA-N 395.293 4.470 0 1 GIAF C[C@@]1(C(=O)Nc2cccc3c2CCCC3)CCN1C(=O)C1(c2ccccc2)CC1 61929973 MOROASAPSWLYDT-DEOSSOPVSA-N 388.511 4.227 0 3 GIAF CN(C)C(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl 4310409 VXGMIFHKWZDKBV-DOTOQJQBSA-N 381.234 4.313 0 1 GIAF N=C(Nc1ccccc1I)NC1C2CC3CC(C2)CC1C3 26492420 AGGSMRWOSSYYHD-UHFFFAOYSA-N 395.288 4.052 0 1 GIAF O=C(O)CCc1ccc(COc2ccccc2)cc1C(=O)NCc1ccccc1 45338855 LCYAQTLRAKBEIB-UHFFFAOYSA-N 389.451 4.213 0 1 GIAF CCN(Cc1ccccc1)C(=O)c1cnc(NCC2CC2)nc1-c1ccco1 82142927 MHRQYLHOQQRVPD-UHFFFAOYSA-N 376.460 4.221 0 1 GIAF CC(C)(c1ccc(Br)cc1)N1CCC2(CCC(O)CC2)OC1=O 146333527 XCDZHSCPNZHJNG-UHFFFAOYSA-N 382.298 4.200 0 1 GIAF O=C(Nc1ccccc1Cl)c1ccn(C(=O)Oc2ccc(Cl)cc2)n1 168969837 QNRMQEUXEQYPOP-UHFFFAOYSA-N 376.199 4.489 0 1 GIAF CCO/C(O)=C(\c1nc2ccccc2[nH]1)n1c(-c2cnccn2)nc2ccccc21 169304410 CUGNUXRMXRKNSX-ZBJSNUHESA-N 398.426 4.139 0 1 GIAF CC[C@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 586886664 CPFANCNCWKCLOI-VBKZILBWSA-N 385.489 4.276 0 1 GIAF CCn1cc(Br)c(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)n1 586999649 DUEUITXCCNXPOA-UHFFFAOYSA-N 389.175 4.031 0 1 GIAF c1csc(-c2ccc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)cc2)n1 587023898 RPJQIVAQIPXIRK-UHFFFAOYSA-N 376.485 4.186 0 1 GIAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)NCc1ccc(F)cc1 587104915 XBTRLTJPNNTFRB-UHFFFAOYSA-N 396.421 4.444 0 1 GIAF CN(C)C(=O)c1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587226819 UKNALYQFCXAOSC-KRWDZBQOSA-N 386.496 4.021 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1csc(COc4ccccc4)n1)[C@@H](C2)C3=O 587450389 KBTMDVHIRUAAAG-YCRPNKLZSA-N 379.437 4.219 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(O[C@@H](C)C(=O)O)cc1)CC2=O 587486659 SHNZPLKBLOLIAP-WHEQGISXSA-N 384.428 4.077 0 1 GIAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587559033 VETCYYVNIVSJKU-WIYYLYMNSA-N 394.354 4.021 0 1 GIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587570039 UICIPZZUOJFDMT-DENIHFKCSA-N 380.371 4.417 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cncc(F)c1)C1CC1 587571612 QVUMFAYNRDGBHD-SIKLNZKXSA-N 377.371 4.193 0 1 GIAF CC(C)C[C@H](CN(C)C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572523 PQUONEIQNFAXGN-CGYQNGNCSA-N 383.488 4.336 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ncco1 587590358 ZLBQIZXPHXDEHG-XXBNENTESA-N 385.375 4.286 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OC(F)F)nc2)N1 587712429 APXSLKYREASRQO-AYVTZFPOSA-N 387.199 4.208 0 1 GIAF CC(=O)C[C@@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587726290 HXPFXEQVSYUMHV-WLRWDXFRSA-N 394.259 4.484 0 1 GIAF COc1cc(F)cc(OC)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587728219 RMMGWNOHVTYYHA-YYSFKGJASA-N 398.247 4.368 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccccn2)N1 587773925 SGYPZUCDMHJSFG-BBATYDOGSA-N 377.257 4.006 0 1 GIAF COc1n[nH]c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc12 587799018 VQRXBGYXVGZUHC-XYZCENFISA-N 390.256 4.097 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(CCC(=O)O)c2)N1 587826455 HKBQFYKYVIJARJ-WYRIXSBYSA-N 392.268 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3(CCOCC3)CC2)N1 587832710 CCYRIQCCAOSLLW-DJJJIMSYSA-N 380.301 4.465 0 1 GIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](c2ccccn2)(C2CC2)N1 963177607 DHDQMNMVAKSSIC-ACJLOTCBSA-N 396.796 4.006 0 1 GIAF N=C(N)NCCCCCCCCCN=c1c2c([nH]c3ccccc13)CCCC2 1772600944 UVRCMRBQQUPCKC-UHFFFAOYSA-N 381.568 4.161 0 1 GIAF NCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Br)cc1 1772610940 PSPMXMUQBMWOHB-UHFFFAOYSA-N 388.092 4.361 0 1 GIAF CC[C@@H](C)OC(=O)c1ccc2ccc(Oc3ccnc(C(=O)NC)c3)cc2c1 1772642233 BCWCMYKYJXFDFB-CQSZACIVSA-N 378.428 4.342 0 1 GIAF O=c1cc(CNc2cccc(Cl)c2C2CC2)nc2nc(-c3ccccc3)[nH]n12 1857597223 SZPIRHWKFHZARV-UHFFFAOYSA-N 391.862 4.228 0 1 GIAF C[C@@H]1CCCC[C@H]1NC(=O)NCCCc1nnc(C2CC2)n1-c1ccc(F)cc1 1911577184 KEJFUTRFDWQQAX-DNVCBOLYSA-N 399.514 4.094 0 1 GIAF COc1cc(C)cc([C@@H]2c3cc(O)cc(OC)c3C(=O)N2CCC(C)C)c1OC 2356375718 JIUDAJHGOQAJBK-NRFANRHFSA-N 399.487 4.318 0 1 GIAF CC(=O)O[C@@H]1C[C@](C)(O)[C@H](CCC(C)=CC(=O)O)[C@]2(C)CCCC(C)(C)[C@@H]12 2356536927 DWCQGHONFHUARJ-NDUFAUORSA-N 380.525 4.333 0 1 GIAF CC(=O)OCC=C(CO)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@]2(C)CC[C@H]1C(=O)O 2356613446 MCVZTTJDKABTGZ-YUVXSKOASA-N 378.509 4.112 0 1 GIAF O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2C(c3c(F)cccc3Cl)=NO[C@H]2C1 205220126 VWBQQIFPBSGJLB-BMIGLBTASA-N 397.208 4.147 0 3 GIAF Nc1nc(-c2[nH]c3ccc(Cl)cc3c2S(=O)(=O)c2ccccc2)cs1 5939148 BJERBEHPKAMWQD-UHFFFAOYSA-N 389.889 4.360 0 1 GIAF COc1cc(-c2c3c(nc4cc5c(cc24)CCC5)COC3=O)cc(OC)c1OC 26847571 LTURAVOLGSTSDQ-UHFFFAOYSA-N 391.423 4.087 0 1 GIAF COc1ccc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)cc1 28572043 ZHNKEMCNFZELJQ-UHFFFAOYSA-N 382.416 4.466 0 1 GIAF O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1[C@H]2CC[C@@H]1CC(c1ccccc1)C2 29054389 NFSPGABTRZUJES-LKRITZJLSA-N 394.534 4.172 0 1 GIAF CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)Cc1cccc(CCCC(C)(C)C)c1 29344374 PSCIJGUZCLZPTI-COPCDDAFSA-N 390.612 4.229 0 1 GIAF CCCO[C@@]1(c2ccccc2)c2ccccc2C(=O)N1CCCC(OC)OC 35064416 NLWIVDJZADRRGV-QHCPKHFHSA-N 383.488 4.169 0 1 GIAF COc1ccc(-c2nc(CN3CCN(c4ccc(C)c(C)c4)CC3)co2)cc1 72141388 IQYFHSVZHCLNQD-UHFFFAOYSA-N 377.488 4.289 0 1 GIAF O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82072663 CLXONOJBIDFWFW-LJQANCHMSA-N 397.544 4.111 0 1 GIAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2C(=O)NCC2CC2)c1 82146075 HVRACIWNHOHVBV-CALCHBBNSA-N 378.520 4.074 0 1 GIAF CC(C)Cc1nc2c(NCc3ccc(Cl)cc3)ncnc2n1C[C@H]1CCCO1 82185099 PPJHSDKMZITFRR-QGZVFWFLSA-N 399.926 4.469 0 1 GIAF COc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NCC(C)C)n2)cc1 82192289 JYNONMXINRFJHW-INIZCTEOSA-N 393.578 4.125 0 1 GIAF Cc1cnc(NC(=O)[C@H]2C(=O)N3c4ccccc4Sc4cccc2c43)s1 100658527 DBZXEDKTOPAKFJ-HNNXBMFYSA-N 379.466 4.317 0 1 GIAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3cccc(O)c3)nn3ccnc23)n1 207418053 NRSIHEJWMHYXOO-HNNXBMFYSA-N 386.459 4.229 0 1 GIAF CCCc1cc(NC[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)n[nH]1 261175822 UVEFOPUALBVJMA-KOMQPUFPSA-N 389.931 4.120 0 1 GIAF C[C@]12CC[C@@H]3[C@H]4CC[C@@](C)(O)C[C@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Cn1cccn1 299851857 KTFRBKXLNKKPEA-DZXZBOGNSA-N 384.564 4.472 0 1 GIAF CN1CCN(Cc2ccccc2CNC2(c3ccccc3F)CCCC2)CC1 473090831 ASDQRRGARSWENL-UHFFFAOYSA-N 381.539 4.132 0 1 GIAF Brc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cn1 587003980 PQTINHWRHZLBAI-UHFFFAOYSA-N 393.042 4.026 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(Br)c(F)c2[nH]1 587040753 BHKCDCIESXZLMF-SNVBAGLBSA-N 386.290 4.085 0 1 GIAF Cc1c(Br)ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c12 587131131 ZFPTZRONZURXOT-UHFFFAOYSA-N 387.224 4.252 0 1 GIAF COc1cncc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c12 587138746 TUKGETCJQNRISY-UHFFFAOYSA-N 381.338 4.277 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@H]3C[C@H]3c3cccc(F)c3)nc-2[nH]1 587161621 PAARXUPZQCSCTN-HOTGVXAUSA-N 375.407 4.032 0 1 GIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Br)ncc2[nH]1 587201123 GIMXHGGFLJAKGU-UHFFFAOYSA-N 397.317 4.301 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(O)c(Br)c1)O2 587376157 HMXCNFICTCDRHF-CQSZACIVSA-N 382.641 4.405 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)O2 587388148 WXJCWDNDGYHQJA-UYAOXDASSA-N 396.487 4.047 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1ccccc1N)[C@@H](C2)C3=O 587427512 IINZUAQMSBGFDA-FDDCHVKYSA-N 375.399 4.108 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cn(CCN)c3ccccc13)CC2=O 587479450 ZPDTULNJOWCYPH-QHCPKHFHSA-N 378.472 4.139 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cc1ccccc1)C(=O)OCC)CC2=O 587480524 KYVGGCNPGPVUOZ-CYFREDJKSA-N 396.483 4.491 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C)C1 587595200 JWBJWVWZLOOWHC-JTFHBLMLSA-N 396.439 4.092 0 1 GIAF CC(C)n1ccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587761634 BLUYIUCWCIFBFJ-XIKOKIGWSA-N 380.305 4.358 0 1 GIAF COc1ccc2c(c1)[C@]1(CCN2)N[C@H](C)Cc2cc(Br)c(F)cc21 587790493 DAYOXPZOAFZXCT-NSPYISDASA-N 391.284 4.190 0 1 GIAF COC(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587807768 NCAZRGUMJWQKGU-WLRWDXFRSA-N 392.268 4.173 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC=C[C@H]2C[C@@H](C(=O)O)C1 587826751 LPYPUSHCFLLBRK-VCQDLIILSA-N 394.284 4.005 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC3(CC2)CC(C(=O)O)C3)N1 587828734 UXYGRAOTTAVNTC-SRNCBKBNSA-N 396.300 4.373 0 1 GIAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 587938179 UHVJJUJHQKWCED-WHEQGISXSA-N 388.471 4.240 0 1 GIAF CCOc1cc(CC(C)=O)c(OCC)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587944181 CJZFTYOXQXJPEI-KRWDZBQOSA-N 396.390 4.039 0 1 GIAF c1ccc(CNc2nc(NC3CCCCC3)n3nc(-c4ccco4)nc3n2)cc1 653768337 CBMMILLJUHOOQT-UHFFFAOYSA-N 389.463 4.136 0 1 GIAF O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(C(F)(F)F)ccc21 653794061 BZHQPDNXIZXSOB-UHFFFAOYSA-N 378.350 4.194 0 1 GIAF C1=C2CCCN(CCCCNCc3ccccc3)[C@H]2[C@@H]2C[C@H]1[C@H]1CCCCN1C2 653895446 NYNRPOOCNJLHIB-BKKFENPESA-N 393.619 4.451 0 1 GIAF O=S(=O)(c1ccc(Oc2cc(F)cc(Cl)c2)c2c1[C@H](O)CC2)C(F)F 1857629871 FJZLLSMTDQFRCS-GFCCVEGCSA-N 392.782 4.247 0 1 GIAF COc1cccc(C(=O)N2CCc3cc(OC)c(OC4CCCC4)cc3C2)c1 1857640307 CDWYEPJPKIPZCR-UHFFFAOYSA-N 381.472 4.224 0 1 GIAF COC[C@@H]1C(=O)O[C@@H]2CC(C)=CCC=C(C(=O)OC)CCC=C(C)CC[C@H]21 2356448372 BNSYBIBYECIBTQ-SLFFLAALSA-N 376.493 4.137 0 1 GIAF CCN(CC)CCCNC(=O)c1oc(=O)c2ccccc2c1-c1ccc(C)cc1 2939888 YNTDTZYKTSUZIS-UHFFFAOYSA-N 392.499 4.230 0 3 GIAF CN(C)CCNC(=O)c1cc(Sc2ccccc2Cl)nc2ccccc12 3035125 BMMHJGADMCDFSX-UHFFFAOYSA-N 385.920 4.331 0 1 GIAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)CCCCCc1ccccc1 13589582 WJLXPMOYOTUARF-FQEVSTJZSA-N 397.471 4.128 0 1 GIAF CS(=O)(=O)c1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(F)cc2)cc1 26249299 YCCBRJMWVFPZEV-UHFFFAOYSA-N 384.354 4.305 0 1 GIAF CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c2c1[C@H]1CCCCC[C@@H]21 27872255 YLBWVHADZBYSLQ-OKZBNKHCSA-N 388.552 4.308 0 1 GIAF CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 40873402 JGPSKQYQDKIFGV-GOSISDBHSA-N 389.858 4.134 0 1 GIAF COc1cc(CN(C)Cc2coc(-c3ccccc3C)n2)cc(OC)c1OC 72102249 VKYVNPHCXKANHU-UHFFFAOYSA-N 382.460 4.308 0 1 GIAF CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CNC2CCCC2)cc1 72115044 JONWOTUZASTVKJ-UHFFFAOYSA-N 386.561 4.415 0 1 GIAF O=C(NCCc1ccc2c(c1)OCO2)c1cc(-c2ccc3ccccc3c2)on1 72170947 KBFIXBDPFJZKDW-UHFFFAOYSA-N 386.407 4.196 0 1 GIAF COc1ccc2cc1COC/C=C\COc1cccc(c1)-c1ccnc(n1)N2 95579871 WVSIOWNEXQMNSF-IHWYPQMZSA-N 375.428 4.361 0 1 GIAF CC(=O)c1cnc2cc(-c3ccc(S(C)(=O)=O)cc3)ccc2c1NC(C)C 95602242 VVYDTGMJBQBMCW-UHFFFAOYSA-N 382.485 4.328 0 1 GIAF CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3nc(-c4ccc(F)cc4)oc13)C2 103267894 KVRNIHXCXMCIQM-NNZMDNLPSA-N 393.462 4.379 0 1 GIAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1 139290126 YGQVLPFHCLSHFS-UHFFFAOYSA-N 387.447 4.396 0 1 GIAF CCOC(=O)c1c[nH]c2cc(Cc3ccc(OC(F)(F)F)cc3)ccc2c1=O 169323686 KJGVOPLPSLLLEP-UHFFFAOYSA-N 391.345 4.194 0 1 GIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)[C@H]5C[C@H]5[C@]4(C)[C@H]3CC[C@]12C 169724666 DEAVUWHJOWDMKM-ZUFVBQCHSA-N 384.564 4.030 0 1 GIAF Cc1ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 586935637 FOJPMSBHASZCGX-QGZVFWFLSA-N 377.897 4.200 0 1 GIAF Cc1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 586958760 IECCCAWGYTXHON-QFIPXVFZSA-N 377.307 4.374 0 1 GIAF CCc1noc([C@@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)n1 586989457 JQHDMSRKSOZARG-GFCCVEGCSA-N 397.434 4.370 0 1 GIAF COc1cc(OC)c2nc(-c3ncc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 587022863 BFYIJLFNBQBFEX-UHFFFAOYSA-N 376.438 4.051 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc(/C=C\c3ccc(C)c(F)c3)[nH]c2c1 587146812 XJZIIYFSJYQBJN-FLIBITNWSA-N 387.480 4.211 0 1 GIAF COc1ccc2c(c1)CC[C@](N)(c1nc3cccc(OCc4ccccc4)c3[nH]1)C2 587247538 UDPUZYSKVAOWLQ-RUZDIDTESA-N 399.494 4.493 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3cc(C(F)(F)F)cn3)cc1)O2 587383650 UWAMMXDHZFKASF-GOSISDBHSA-N 387.361 4.488 0 1 GIAF CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518158 CFSMAHCHCPFWRW-FCORRRHLSA-N 383.488 4.441 0 1 GIAF CCS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532818 PMOQJPXBZMYXAA-QFIPXVFZSA-N 384.497 4.240 0 1 GIAF CCOC(=O)C[C@]1(CC(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595214 KDGRQLHUEZUPBK-AUSIDOKSSA-N 398.455 4.482 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccn(C)c2)(C(F)(F)F)N1 587709107 ICABUXSYMWOGPS-PSLIRLAXSA-N 391.206 4.267 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)nn2C)N1 587762040 CQDNYZZMBXVOEL-BTDLBPIBSA-N 380.305 4.243 0 1 GIAF CC[C@@]1(c2ccc(C(=O)O)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587825723 IEMXVOYBSPYTQS-WYRIXSBYSA-N 392.268 4.474 0 1 GIAF COc1ccc2c(c1)OC=C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587840079 IBRVOGDFYNJVTD-NSPYISDASA-N 390.252 4.281 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc(OC)cc1OC 587872348 VSJAQDYNKREXLH-UHFFFAOYSA-N 385.395 4.185 0 1 GIAF CCN(c1ccc(-c2csc(-c3c(C)cncc3C)n2)cc1)S(C)(=O)=O 587922273 AKFNJEFOHOIOQD-UHFFFAOYSA-N 387.530 4.275 0 1 GIAF COC(=O)CC[C@@]1(C(C)C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640581 RANPQRNXJXYBHQ-RCZVLFRGSA-N 392.543 4.238 0 1 GIAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@@H]3c3cnc4ccccn34)C2)cc1 962648673 XYIJXVVHZMEXLB-PXDATVDWSA-N 380.495 4.171 0 1 GIAF O=C(O)CCOc1cccc([C@H]2c3ccsc3CCN2Cc2ccco2)c1 962706285 LVDGUYVLRCQQMI-NRFANRHFSA-N 383.469 4.342 0 1 GIAF CN1CCc2c(Br)cccc2[C@]12CCOc1cc(F)cc(F)c12 963279303 GPBQCUYFPVNPEV-SFHVURJKSA-N 380.232 4.241 0 1 GIAF COC(=O)[C@]1(C=C2c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@H]2Oc3ccccc3[C@H]21 1857622820 VVOONWVRIYRRAY-OTHGDASISA-N 380.415 4.264 0 1 GIAF O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1Cc1ccccc1 1857644959 DPNJGIMXXIWLSV-BHIFYINESA-N 377.484 4.246 0 1 GIAF CC(C)=CCc1c2c(c(O)c3cc(C(C)(C)O)oc13)C(=O)[C@H]1C=CC=C(O)[C@H]1N2 2356362881 FSPOYVYBSQSARA-SGTLLEGYSA-N 395.455 4.479 0 1 GIAF CCCN1CCC(=O)N([C@H](CSc2ccc(OC)cc2)CC(C)C)CC1 13661747 PVYOULLNPANYEZ-SFHVURJKSA-N 378.582 4.146 0 3 GIAF COc1ccc2[nH]cc(CCNc3ccnc(-c4ccc5c(c4)OCO5)n3)c2c1 4239344 FHNUHXIFOIMTOL-UHFFFAOYSA-N 388.427 4.017 0 1 GIAF aggregator CCc1nc(C)c(CN2CCOc3ccc([C@H](O)C4CCCCC4)cc3C2)[nH]1 11881011 BWPZJKHLILHELG-HSZRJFAPSA-N 383.536 4.289 0 1 GIAF CC(C)(Oc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2)cc1)C(=O)O 13649327 VDODZNGFOUDNJK-UHFFFAOYSA-N 382.243 4.165 0 1 GIAF COc1cc2c(cc1O)O[C@@H]1c3c(cc4c(c3OC)C=CC(C)(C)O4)OC[C@@H]21 14613209 CEAWIMABVSITMV-ZSEKCTLFSA-N 382.412 4.203 0 1 GIAF biogenic CC[C@@](C)(O)c1cc(O)c(C)c2c1Oc1c(Cl)c(O)cc(C)c1C(=O)O2 15266332 XGLSUWDYYHRFBN-LJQANCHMSA-N 378.808 4.310 0 1 GIAF biogenic COc1ccc([C@@H](CCN(C)CC(=O)O)Oc2ccc(C(F)(F)F)cc2)cc1 26162281 UWZVQOBARGQNJS-GOSISDBHSA-N 397.393 4.241 0 1 GIAF O=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccccc3)ns2)CC1 34841709 HWFPEHVYBLAJAY-UHFFFAOYSA-N 399.907 4.213 0 1 GIAF CCn1c(=S)sc2c(NC(=S)Nc3ccccc3OC)ncnc21 45285070 LWMFECLRZMUXHJ-UHFFFAOYSA-N 377.520 4.060 0 1 GIAF FC(F)Oc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl 71340823 LIXMHPAOIYQKNQ-UHFFFAOYSA-N 386.189 4.183 0 1 GIAF O=C(Oc1cc(O)c2c(c1)O[C@H](c1ccc(O)cc1)CC2=O)c1cccs1 95597327 DNSQKVVWWFMFHO-INIZCTEOSA-N 382.393 4.085 0 1 GIAF FC(F)(F)c1cccc(Sc2ccc3nnc(-c4cscn4)n3n2)c1 95604154 GBGIXYSLUFXYBV-UHFFFAOYSA-N 379.392 4.418 0 1 GIAF C1=C(c2ccccc2)NC2=NC=C3N(c4ccccc4)N=C(c4ccccc4)N3[C@H]12 102899574 SSYDDBTUFYJMFD-JOCHJYFZSA-N 389.462 4.394 0 1 GIAF CN(C)CCCN1C(=O)/C(=C(/c2ccccc2)c2ccc[nH]2)c2cc(F)ccc21 103190292 RJPPDFYTICWOMR-FCQUAONHSA-N 389.474 4.411 0 1 GIAF COc1cc(CN=O)c(Br)cc1OCC(=O)Nc1ccccc1C 169691353 HJOMDYIEHCNKBA-UHFFFAOYSA-N 393.237 4.050 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 586938064 UKGUIPZLZJDQLT-SECBINFHSA-N 399.303 4.009 0 1 GIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(C(=O)O)cc4[nH]3)c2C1 587031977 ODQIKGINVMDJKN-UHFFFAOYSA-N 399.472 4.283 0 1 GIAF COC(=O)c1cc2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2cc1OC 587085122 LGNUJPVIOQGZCG-UHFFFAOYSA-N 394.818 4.136 0 1 GIAF Fc1cncc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c1 587177032 LOILBRSWABPUDY-UHFFFAOYSA-N 376.107 4.425 0 1 GIAF CCn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 587344712 XYKBYJGZRYTLBK-UNMCSNQZSA-N 380.419 4.330 0 1 GIAF C[C@@H]1[C@H](CC(=O)O)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351115 JFLIWUFATLSPLS-AXZSUMLFSA-N 384.403 4.150 0 1 GIAF COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1)(c1ccccn1)[C@@H](C2)C3=O 587417337 CBSZQTMIFFEJOY-JTSKRJEESA-N 377.827 4.435 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4cccc(Br)c4C[C@H]1C)[C@@H](C2)C3=O 587419246 XLNYZWACVAVBLF-PGASGAKPSA-N 385.257 4.293 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1cccc(F)c1)(c1cnn(C)c1)CC2=O 587469167 XJJLVFFNOCUIGD-JOCHJYFZSA-N 380.419 4.126 0 1 GIAF CCn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(C)C)n1 587579262 CYWSOWMJKIAVBB-GCJKJVERSA-N 378.428 4.435 0 1 GIAF COC(=O)[C@@H]1CCC(C)(C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587592753 KDCFUNPHVFUKNS-TUVUNVSASA-N 396.439 4.092 0 1 GIAF O=C(O)Cc1c(-c2cccc(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622791 TYVJCTABDWOLFB-UHFFFAOYSA-N 388.196 4.240 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnn2-c2ccccc2)N1 587755620 BCJUQBRFJYDVDO-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF CC(C)C[C@]1([C@H]2CCCNC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587791525 GDXBJTUTUCCFON-FRIZHTMISA-N 383.349 4.363 0 1 GIAF CC(=O)Oc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587813722 WSMRXXIDRRYGOY-XTZNXHDOSA-N 378.241 4.137 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](O)c3ccccc32)N1 587833357 NBCPMJCCMXVKNW-CXWAGAITSA-N 376.269 4.193 0 1 GIAF Cc1nc2sccn2c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587855506 JETYHOQGXCXBGG-XLFHBGCDSA-N 394.313 4.404 0 1 GIAF CC(=O)C[C@]1(C2(C)CC2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962952394 HSDBDZCLELRGGR-FQEVSTJZSA-N 381.438 4.331 0 1 GIAF COc1ccc([C@H]2NCCc3cc4cccc(OC)c4nc32)c(Br)c1 963062988 YSVWKJFITHCTNW-HXUWFJFHSA-N 399.288 4.250 0 1 GIAF Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1[C@H](c2ccc(F)cc2)C1(C)C 1857642437 ZEMGFPMQOJSMIA-SFTDATJTSA-N 377.463 4.376 0 1 GIAF CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4C(=O)CCC[C@]4(C)[C@H]3[C@@H](OC(C)=O)C[C@]2(C)C1 2356436773 ZIHQYPUMMFHRCD-RUINFSKGSA-N 390.520 4.072 0 1 GIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(C)=O)[C@@H](C)[C@]12C 2356689793 ZBEIDAHTEHJVBJ-DENKULMGSA-N 388.460 4.319 0 1 GIAF C[C@@H]1CN(CC(=O)NC2c3ccccc3-c3ccccc32)Cc2ccccc2O1 12470089 CBYZRYDHTVSNOS-QGZVFWFLSA-N 384.479 4.156 0 1 GIAF O=C1c2ccccc2C(=O)N1C[C@H]1C[C@H]2c3ccccc3Cc3ccccc3N2O1 13436979 ZXIPGUHBRFTYRJ-JPYJTQIMSA-N 396.446 4.139 0 1 GIAF N[C@@H](Cc1cccc2ccccc12)C(=O)Nc1cncc(/C=C/c2ccncc2)c1 14957702 WZSVRUCBLPTNFX-KDLSMAQYSA-N 394.478 4.309 0 1 GIAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@H]([C@H](C)C(=O)Nc1ccccn1)C2 25206590 YWKWMCFVGQMSMA-HKUYNNGSSA-N 395.547 4.019 0 1 GIAF biogenic O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)c3ccc4c(c3)CCC4)[C@@H]2C1 26147560 RZPKRKCFVWBKBT-ARXVNCNNSA-N 396.527 4.353 0 1 GIAF CCCCCN(C1=NCCN1)c1c(Br)cccc1Br 28232760 VNFJJGWFOPVWLD-UHFFFAOYSA-N 389.135 4.167 0 1 GIAF COc1ccc(-c2cc(-c3ccncc3)nc(N3CCOCC3)n2)c2ccccc12 28338310 TWOONNOEQFZBFX-UHFFFAOYSA-N 398.466 4.204 0 1 GIAF O=C(CCCN1CC[C@H]2[C@@H](C1)c1cccc3c1N2CCC3)c1ccc(F)cc1 36399764 CSRUCKYTDYTZMI-VXKWHMMOSA-N 378.491 4.413 0 1 GIAF C[C@H](C(=O)N1CCCC1)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 66112466 WJAMRMUKYHIQHV-AWEZNQCLSA-N 391.437 4.496 0 1 GIAF CN(C)c1cccc2c(S(=O)(=O)NC34CC5CC(CC(C5)C3)C4)cccc12 72114530 GUPDTGYUVIQZLD-UHFFFAOYSA-N 384.545 4.153 0 1 GIAF COCCCNc1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccccc2)n1 82133783 PMNYLQPWLADYKH-UHFFFAOYSA-N 398.551 4.346 0 1 GIAF CC(=O)NCc1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1 84633980 KQXAFPLLZDPRMT-UHFFFAOYSA-N 390.552 4.307 0 1 GIAF O=C(Nc1ccccc1-c1nc2cc(F)c(F)cc2[nH]c1=O)c1cccs1 95564023 CRDHNAPEYHMGPZ-UHFFFAOYSA-N 383.379 4.182 0 1 GIAF COc1cccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)c1 101152067 CCSZSHPNZBSEMO-VTYHHJSWSA-N 380.488 4.464 0 1 GIAF c1ccc(Nc2nc3c(N4CCC(N5CCCCC5)CC4)ncnc3s2)cc1 103287381 UZSKMXVNIIITKA-UHFFFAOYSA-N 394.548 4.285 0 1 GIAF O=C(CCCCCCn1cc(-c2ccc(Oc3ccccc3)cc2)nn1)NO 149585590 GBVSYLOPHUMZRI-UHFFFAOYSA-N 380.448 4.193 0 1 GIAF CN(Cc1ccccc1)C(=O)C[C@@H](CO)c1cccc(OCc2ccccc2)c1 473157277 VCRQAENPVSKFEN-QHCPKHFHSA-N 389.495 4.390 0 1 GIAF Brc1ccc(NCCc2nc3cc(Br)ncc3[nH]2)cc1 586995331 KHIXNUODFSWHTP-UHFFFAOYSA-N 396.086 4.138 0 1 GIAF Clc1c(Br)cnc2nc(-c3ccc(Br)o3)[nH]c12 587007941 QPDJNQFWKPJYLD-UHFFFAOYSA-N 377.423 4.396 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC(C3CCC4(CC3)OCCO4)CC1)O2 587409820 URNKVUBSTQWWOX-UHFFFAOYSA-N 385.504 4.405 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cnc(SCc4ccccc4)nc1)[C@@H](C2)C3=O 587451562 JNGFGQMSXJGKOK-UWJYYQICSA-N 390.464 4.266 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(F)c1N1CCOCC1)CC2=O 587465584 IOXBBVBLDALEBO-FQEVSTJZSA-N 385.435 4.027 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCOC[C@H]1OCc1ccccc1)CC2=O 587493603 UNHDIRKQZZZLAV-GGAORHGYSA-N 382.456 4.054 0 1 GIAF COc1ccc(Br)nc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496515 HSTYLMGJWLNMGW-MRXNPFEDSA-N 388.261 4.438 0 1 GIAF CCOc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594402 HJDMSYIAJFDECQ-KNQAVFIVSA-N 378.380 4.199 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2=COCC2)(C(F)(F)Cl)N1 587706650 RKLNAKAZNWJJBF-RMLUDKJBSA-N 396.634 4.454 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3nc(Cl)ccc32)N1 587706701 RVWSQAWRPYUZGA-HUTHGQBESA-N 381.676 4.361 0 1 GIAF Cc1cc(C(=O)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587718103 MLCXRVRGKVFIFH-QGHHPUGFSA-N 380.232 4.494 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccn2-c2ccccc2)N1 587758484 XTEOZHANSLCOJV-KZULUSFZSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CC[C@H]2CN(C(C)(C)C)C1 587773025 IURKHVZTABVKBM-QEJZJMRPSA-N 395.360 4.458 0 1 GIAF COc1cc(CC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccn1 587775321 ZEMJQCBGENMKDW-ABAIWWIYSA-N 379.273 4.200 0 1 GIAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587808858 QZKCYYDMBWKZHI-MGNBDDOMSA-N 380.257 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)O)s2)N1 587848443 OMDYFXNVRWCQOC-BCTVWOGZSA-N 384.270 4.146 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(OC)ncc1F 587854004 DDQKLUUFGMUUNN-UHFFFAOYSA-N 383.210 4.183 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccccc1CO 587858885 ONEVFMOPPRBBKO-UHFFFAOYSA-N 391.254 4.436 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cn1cc(C)cn1 587859782 IJRJZLYYRUTWGL-UHFFFAOYSA-N 379.247 4.101 0 1 GIAF COC(=O)c1cc(OC)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1OC 587943293 URZLOVJPHSTRIQ-UHFFFAOYSA-N 395.883 4.456 0 1 GIAF COc1ccc2c(c1OC)[C@H](c1cn(-c3cccc(F)c3)nc1C)N(C)[C@H](C)C2 962621560 HIZRKIFKGABOOW-PEBXRYMYSA-N 395.478 4.303 0 1 GIAF COc1ccc2c(c1OC)[C@]1(CCN(Cc3ccccc3)C[C@@H]1F)N(C)[C@@H](C)C2 962625782 FUUFVJDQJAYIMU-CODAWKSHSA-N 398.522 4.020 0 1 GIAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2ccsc2)(c2cc(F)cc(F)c2)N1 962896119 KAXBQIIMWTVCLJ-ICSRJNTNSA-N 389.398 4.056 0 1 GIAF O=C(O)c1ccc(N2CCC3(CC2)c2ccc(F)cc2C[C@@H]2CCCN23)cc1 963096662 FXQGCLOFKZBXAK-FQEVSTJZSA-N 380.463 4.040 0 1 GIAF CCN(CC)C(=O)C1CCN(Cc2cccc(NC(=O)c3cccs3)c2)CC1 1772636226 BNLDBOIXGIMLAW-UHFFFAOYSA-N 399.560 4.081 0 1 GIAF Cc1cc(=O)oc2cc(OCCN3CCC(Cc4ccccc4)CC3)ccc12 1772658022 NPWWCJQCZNQRMS-UHFFFAOYSA-N 377.484 4.435 0 1 GIAF COc1ccc(CNC(=O)c2cc(/C=C/C(=O)O)cc(CC=C(C)C)c2)cc1 1857620717 PTODWLIUCPDCTN-DHZHZOJOSA-N 379.456 4.232 0 1 GIAF CC(=O)[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3CCC23OCCO3)C1 2356321800 WVWLZTRPYHOEKB-ZFELAIKPSA-N 376.537 4.092 0 1 GIAF CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)N(CC2CC2)C(=O)COC3)c1 205215441 UUCLVCCPKTTYAI-UHFFFAOYSA-N 392.499 4.109 0 3 GIAF O=C1[C@H](c2ccc(F)cc2)N(Cc2cccs2)C(=O)CN1C1CCCCC1 6473055 HSKGZOXMGVLYQW-FQEVSTJZSA-N 386.492 4.132 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 7997617 RUDATBOHQWOJDD-ZBNSFZQXSA-N 392.580 4.478 0 1 GIAF O=C(Cc1ccsc1)NC[C@H]1Cc2cc(Cl)cc(-c3ccncc3)c2O1 12243370 YSTXSMAPCLMOBL-QGZVFWFLSA-N 384.888 4.126 0 1 GIAF O=C(O[C@H]1C[C@@H](/C=C/CCO)CC[C@H]1OC(=O)c1ccccc1)c1ccccc1 26143688 HKTNCUKGCAGDLN-WWENYGJJSA-N 394.467 4.176 0 1 GIAF CCS(=O)(=O)N(Cc1cccnc1)c1ccc([C@@H](F)c2ccccc2)cc1 26839403 DUGBUXVMRDXSDO-NRFANRHFSA-N 384.476 4.497 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC=CC[C@H]1C[C@H]3O 33820934 KHTQKVWLBDPPPW-QLEQUTGBSA-N 390.564 4.254 0 1 GIAF O=C1NC(c2ccccc2)(c2ccccc2)CN1[C@@H]1CCN(Cc2ccccc2)C1 34802158 XTFLNWJPCXKOPL-XMMPIXPASA-N 397.522 4.230 0 1 GIAF Cc1ccc(CN(C)C(=O)[C@H]2CCCN2C(=O)Nc2ccc(Cl)cc2)cc1 40873078 YAVOLUDTCZEWQU-LJQANCHMSA-N 385.895 4.303 0 1 GIAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCC3)nc2-c2ccccc2)C1 82132909 CJJSHGCXNLJKKR-MSOLQXFVSA-N 378.520 4.395 0 1 GIAF COCCn1c(CC(C)(C)C)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188919 GZLUKXXXDFYZDB-MRXNPFEDSA-N 381.524 4.277 0 1 GIAF CCc1cnc(N2CCC(CCCNc3ccc4c(c3)C(=O)CC4)CC2)nc1 84728375 DLUDWFPLMUWISJ-UHFFFAOYSA-N 378.520 4.277 0 1 GIAF CCOC(=O)c1c(-c2cccc(OCC(C)C)c2)[nH]c2cc(OC)ccc2c1=O 95556172 RZPQHEKMKYERGR-UHFFFAOYSA-N 395.455 4.415 0 1 GIAF O=C(NC1CCCCC1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccc(F)cc2)cc1 100107911 KKQZKEDHPFGRLM-NUNAXRQHSA-N 393.506 4.275 0 1 GIAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC(C)C)[C@H]2c1cccnc1 102624753 FBFSJAVVUJTQGO-VVTMIQRTSA-N 386.477 4.122 0 1 GIAF COC(=O)c1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc1 104074254 PIUIFKUNWUIVAP-IBGZPJMESA-N 383.444 4.233 0 1 GIAF CC(C)CCN1CCC[C@@H]1C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C 201104222 IJQQQMJZOAKLSF-LFAGZIFBSA-N 398.591 4.344 0 1 GIAF O=C(O)Cc1c2n(c3cc(F)ccc13)C[C@H](Nc1nc3cc(F)ccc3o1)CC2 203538931 OZNQWNVQXRTAJO-CYBMUJFWSA-N 397.381 4.115 0 1 GIAF O=C(O)c1ccc2nc(-c3ccc4[nH]ncc4c3)c(N3CCCCCC3)nc2c1 205438716 DSTLVSDHXCRLDK-UHFFFAOYSA-N 387.443 4.252 0 1 GIAF O=C(O)C[C@@H](NC(=O)c1cccc(-c2ccccc2F)n1)c1ccccc1Cl 261185476 XHPBJIKIGAZFNR-LJQANCHMSA-N 398.821 4.487 0 1 GIAF Oc1ccc(N=c2[nH]c3ccc(Cl)cc3[nH]c2=Nc2ccc(O)cc2)cc1 474603655 CUHFGUUFNZCRAC-UHFFFAOYSA-N 378.819 4.025 0 1 GIAF COC(=O)c1cccc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c12 586978130 XXDWECQXELELGO-CLFYSBASSA-N 387.233 4.291 0 1 GIAF C[C@@]1(c2nc3ccc(Br)c(F)c3[nH]2)C=C(c2ccccc2F)NO1 587159102 ZLRGEOIKCOEPNR-KRWDZBQOSA-N 392.203 4.395 0 1 GIAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(C)nc(C)c2[nH]1 587181049 MAYGZIZASRBSNB-SECBINFHSA-N 395.248 4.014 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(/C=C/C(=O)O)=COc2ccc(Cl)cc21 587380598 WOGJWTIXZKLIFU-RHRNASEZSA-N 397.814 4.008 0 1 GIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)c1OC 587381695 JSQJPGFBCUCCQU-OAHLLOKOSA-N 381.350 4.320 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(OCc4ccccc4)ccc1O)[C@@H](C2)C3=O 587444834 VOULHIUXXOTOKU-YADARESESA-N 388.419 4.469 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nc(Cl)cnc2Cl)N1 587707417 VNQLIKVYOZYAKF-SREIQFSDSA-N 391.071 4.309 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(cnn3C)c2)N1 587755510 AKHOWHHAHUIPEE-JEOXALJRSA-N 388.284 4.273 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccncc2)N1 587757465 VSBVNQZNSJSLFT-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF CCCCCOC(=O)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790258 FBFPRLMIKCWKGY-XIKOKIGWSA-N 386.305 4.461 0 1 GIAF Cc1noc(C2CCC3(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c23)n1 587791651 FWMQZSGLIKRYHQ-LRWYKZPYSA-N 394.288 4.367 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccncc1F 587863851 BUZIAUYAJHIJPA-UHFFFAOYSA-N 379.313 4.190 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)OCc1ccccc1 587867904 DSUMDPMLTWNLMF-UHFFFAOYSA-N 377.322 4.157 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCC(=O)Nc1ccccc1 587870509 LEIJXUJUVNZLJU-UHFFFAOYSA-N 381.407 4.147 0 1 GIAF CCOc1cc(-n2c(O)cc(-c3ccccc3F)c2O)c(Cl)cc1C(=O)O 587939822 FUBPBJMFNPBWLN-UHFFFAOYSA-N 391.782 4.445 0 1 GIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)c(Br)cc2[nH]1 587961398 FRNVXDCRXBJHEC-YUMQZZPRSA-N 386.087 4.246 0 1 GIAF CNC(=O)c1ccnc2cc(OCc3ccc(Cl)c(OC(F)(F)F)c3)[nH]c12 653736049 LFKUAYBIXRBTNE-UHFFFAOYSA-N 399.756 4.054 0 1 GIAF Cc1cnn(C(=O)N(C)CCN(C)Cc2ccc(Oc3ccccc3)cc2)c1 1857554921 UCMHNCGKMPXBTI-UHFFFAOYSA-N 378.476 4.016 0 1 GIAF NC[C@@H](c1ccccc1)n1cnc2c(-c3ccccc3Cl)csc2c1=O 1857567787 URVADUHCSXGHDS-KRWDZBQOSA-N 381.888 4.327 0 1 GIAF Cc1ccccc1NC(=O)Nc1nc([C@@H](N)COCc2ccccc2)cs1 1857597129 BPHMBVARTAILPX-INIZCTEOSA-N 382.489 4.312 0 1 GIAF O=C1Cc2ccccc2N1C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857639069 AMHJQGDUWPMROH-QGZVFWFLSA-N 392.405 4.023 0 1 GIAF Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SC[C@H]4C)cc(C)n1 1482632 DNYDAUUCCWZVJY-LLVKDONJSA-N 384.432 4.184 0 1 GIAF COc1cc(-c2oc3c(Cl)cc(Cl)cc3c(=O)c2O)cc(OC)c1OC 1662057 FASQNVJCMAVPTF-UHFFFAOYSA-N 397.210 4.498 0 1 GIAF CC(C)O[C@H](Cc1ccc(OCc2noc(C3CCCCC3)n2)cc1)C(=O)O 26475355 QPPODAOWFXCUGL-GOSISDBHSA-N 388.464 4.117 0 1 GIAF CO[C@H](C)C(=O)N(c1ccccc1)[C@@H]1CCN(CCc2cccs2)C[C@@H]1C 26728602 LZKVXBQOOPUNCP-WAOWUJCRSA-N 386.561 4.069 0 1 GIAF CCC(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 29039259 UMXRASXESHHBEI-UHFFFAOYSA-N 379.485 4.276 0 1 GIAF O=C(Nc1ccccc1F)O[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 35950916 CSTAQPIMQTTZEJ-OAQYLSRUSA-N 389.386 4.190 0 1 GIAF Cc1ccc(N2C(=O)c3ccccc3N3C2=NNC(=S)N3c2ccccc2)cc1 40898931 FSSBKUQZLQRVFQ-UHFFFAOYSA-N 399.479 4.043 0 1 GIAF Cc1ccc(C(C)C)c(Oc2cnc(N[C@H](CO)c3ccccc3)nc2N)c1 45228236 VFAZOZZWOZXHOB-GOSISDBHSA-N 378.476 4.428 0 1 GIAF N=C1NC(c2ccc(Cl)cc2)=C(CC(=O)O)[C@@H](c2ccc(Cl)cc2)N1 103262263 QPAHWASIFARXTD-MRXNPFEDSA-N 376.243 4.048 0 1 GIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cccc(Br)c1 104115559 KURBIYURTRNHRE-RIBQPWQFSA-N 391.269 4.322 0 1 GIAF Cc1oncc1C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)c(F)c1 116816772 VEEFSWBIYMHIDZ-UHFFFAOYSA-N 394.328 4.456 0 1 GIAF CSc1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2ccc(F)cc2)n1C 205186327 IJMNOPLXGAQIFL-UHFFFAOYSA-N 382.464 4.359 0 1 GIAF CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@@]35CC[C@]12C 255222601 KHBOEHDNAZWJMH-ZGILUUTNSA-N 389.624 4.365 0 1 GIAF Nc1nccn2c1c(-c1ccc(Oc3ccccc3)cc1)nc2[C@H]1C[C@H](CO)C1 261072178 AHANKXNSVKLMQF-JCNLHEQBSA-N 386.455 4.257 0 1 GIAF O=c1ccc2cc(-c3nc4c(Cl)ncc(Br)c4[nH]3)ccc2o1 586916537 BKGQLTKOENXCIQ-UHFFFAOYSA-N 376.597 4.147 0 1 GIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc4nc(C)ccc4c3[nH]2)c1 586930142 GFYKLVVXBBXHKF-UHFFFAOYSA-N 394.500 4.117 0 1 GIAF O=C(c1ccccc1)c1ccc2nc(CSc3ncccc3C(=O)O)[nH]c2c1 586968974 ROADWSOSWPWPAI-UHFFFAOYSA-N 389.436 4.179 0 1 GIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cncc(Cl)c3[nH]2)cs1 587018873 BQDYCEYQJYDHHE-UHFFFAOYSA-N 384.852 4.303 0 1 GIAF C[C@@H](c1nc2ccc(C(=N)N)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130303 RXQKZDQWIYFSCB-YFKPBYRVSA-N 388.756 4.181 0 1 GIAF Fc1cccc(Cn2nnc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2Cl)c1 587163048 ZNCSOZPYTAZSDN-UHFFFAOYSA-N 380.185 4.455 0 1 GIAF C[C@@]1(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172680 JZIZXGLKDSTIBK-KRWDZBQOSA-N 382.288 4.488 0 1 GIAF COCc1nc2cccc3c2c(c1CCCC1OCCO1)-c1ccccc1C3=O 587208896 FIPUOUSYDSWQND-UHFFFAOYSA-N 389.451 4.288 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1ccccc1C(F)(F)F)O2 587383585 YXOBSWCOFKLRDO-LJQANCHMSA-N 392.377 4.349 0 1 GIAF COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 587394518 WUXXDUHORSGTLU-NRFANRHFSA-N 388.423 4.132 0 1 GIAF CCOC(COc1ccccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1)OCC 587398487 DGZGAMIUCASWAU-FQEVSTJZSA-N 385.460 4.062 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1CC=CC[C@@H]1C(=O)O)O2 587405546 XMVRBWBYVPYHHE-XAEMIUIASA-N 377.440 4.105 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](C)C1)CC2=O 587474513 FTGDEBGBZUHRQY-JLCFBVMHSA-N 389.492 4.468 0 1 GIAF CC(C)[C@]1(Cc2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587325 NPEZJJKTIXBYTI-OFNKIYASSA-N 375.424 4.386 0 1 GIAF Cc1c([C@@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2ccc(S(C)(=O)=O)cc12 587651568 WFCDDQTVIRWUSZ-KRWDZBQOSA-N 392.521 4.342 0 1 GIAF COc1cc(F)cc(F)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587723327 WYJCMEKOTRWOIW-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-n3ccnc3)cc2)N1 587754817 MVSXEGIJOMXQMX-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF CCOC(=O)C1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587794836 HIIPNCXSGOUUAX-OMTHAAKESA-N 384.289 4.071 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)c1ccccc1N[C@@H]2C 587797969 UCLSMGVVGYNACF-BFKGZMGPSA-N 389.268 4.015 0 1 GIAF COC(=O)c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587811957 YAZYYRJACWCLLE-WYRIXSBYSA-N 392.268 4.173 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@@](c2ccccc2)(C(F)(F)Cl)N1)C(F)(F)F 962731418 RNVYHZJUSFOEIN-ZBFHGGJFSA-N 389.751 4.408 0 1 GIAF Cc1ccnc2c1CCN[C@]2(c1cccc(F)c1)c1cccc(CN2CCC2)c1 963069457 MTUSIECXCRRGNO-VWLOTQADSA-N 387.502 4.172 0 1 GIAF C[C@]1(C2CC(F)(F)C2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963187753 SOFPBHKARPJPHV-TZMCWYRMSA-N 383.744 4.218 0 1 GIAF CCOc1ccc([C@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)c(F)c1F 963612585 SPQVOTXHPBXBKB-GTJPDFRWSA-N 377.431 4.178 0 1 GIAF CC1=C(C(=O)OCC(F)(F)F)[C@H](c2ccco2)N2C(=N1)Nc1ccccc12 1857573257 YLBXODHZSOMLIX-HNNXBMFYSA-N 377.322 4.002 0 1 GIAF CC(C)=CCc1cc(/C=C/C(=O)O)cc(C(=O)NCCc2ccc(F)cc2)c1 1857590807 LYPFVLPMHOEBJY-JXMROGBWSA-N 381.447 4.405 0 1 GIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@H](O)C[C@@H]1[C@@H](C)C[C@@H](C=C(C)C)OC(C)=O 2356560848 HNCJOYGJZXFKBQ-LBXVCQGDSA-N 380.525 4.196 0 1 GIAF CC1(C)OC[C@]2(C[C@@]34C[C@H]2CC[C@@H]3[C@]2(C)CCCC(C)(C)[C@H]2C(=O)[C@H]4O)O1 2356655545 GPDYNSLXYAITQJ-HWXPVTHOSA-N 376.537 4.091 0 1 GIAF O=C(NC1CCCCC1)[C@H](C1CC1)n1c(=O)c(-c2ccco2)nc2ccccc21 95568917 CKIQQLGLRVDQDE-NRFANRHFSA-N 391.471 4.057 0 3 GIAF N=C(CCCCc1c[nH]cn1)NCC[C@H](c1ccc(F)cc1)c1ccccn1 26174682 FDINHVWZVYDDQK-HXUWFJFHSA-N 379.483 4.446 0 1 GIAF O[C@@H](CNCCc1cc2ccccc2[nH]1)COc1cccc2[nH]c3ccccc3c12 26254857 GMZAUTZMDBRCFL-IBGZPJMESA-N 399.494 4.374 0 1 GIAF CCCCc1cnc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N 27876488 FHJOVHQAQKFUQG-UHFFFAOYSA-N 376.439 4.001 0 1 GIAF O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2cccnc2)O1 29413704 CPFXMGGSQKZGCE-RYIMYRPNSA-N 394.254 4.047 0 1 GIAF CCn1c(Nc2ccccc2O)nc2cnc(Oc3c(F)cccc3F)nc21 40565980 MBSMLZXGQQDQRT-UHFFFAOYSA-N 383.358 4.366 0 1 GIAF c1cnc2[nH]c(Nc3ccc(CCNc4ncnc5ccsc45)cc3)nc2c1 48998440 VICXAGACZIEFMG-UHFFFAOYSA-N 387.472 4.361 0 1 GIAF O=C(c1cc(-c2ccnc(Nc3ccccc3)n2)c[nH]1)N1CCc2ccccc2C1 87612952 WNLOIZRGUDVQTO-UHFFFAOYSA-N 395.466 4.414 0 1 GIAF O=C(NC1CCCCC1)[C@@H](Cc1ccccc1)n1c(=O)[nH]c2cc(Cl)ccc21 96271922 PYBNFOLOUUXRTM-HXUWFJFHSA-N 397.906 4.216 0 1 GIAF CC(C)=CCC[C@@H](C)C1=C(O)[C@@H](O)C(C)=C2N=C(c3ccccc3)C(=O)O[C@H]21 102956449 HQOVFKOOADNLBT-XDCJIHQESA-N 381.472 4.244 0 1 GIAF CC(=O)C[C@H](c1ccc(Br)cc1)c1c(O)oc2ccccc2c1=O 103553937 UNXCWLXZWOMOLY-OAHLLOKOSA-N 387.229 4.372 0 1 GIAF CCCC[C@H](O)C(C)(C)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC 169324012 DWQJMQKCTQUQTL-PWZSLSNZSA-N 396.568 4.200 0 1 GIAF COc1ccc2c(c1)CCN[C@H]2CCCC[C@H]1NCCc2cc(OC)ccc21 169325966 ODNILEIXZDOZKV-PSWAGMNNSA-N 380.532 4.338 0 1 GIAF CCCC1(c2nc3c(I)cnc(Cl)c3[nH]2)CCC1 586877698 KSRNQYZOVDNAAF-UHFFFAOYSA-N 375.641 4.438 0 1 GIAF O=C(O)c1ccccc1/C=C\c1nc2c(Br)cnc(Cl)c2[nH]1 586880831 BZSZIHYQVWYUKP-WAYWQWQTSA-N 378.613 4.242 0 1 GIAF Cc1c(-c2nc3c(Cl)ncc(Br)c3[nH]2)oc2c1[C@@H](O)CCC2 586905646 XQZVTMDTUYMBLF-QMMMGPOBSA-N 382.645 4.312 0 1 GIAF CCOC(=O)c1ccc2nc(COc3ccc(Br)cc3C)[nH]c2c1 586980586 BEIOZEULSCFINE-UHFFFAOYSA-N 389.249 4.390 0 1 GIAF CC1=C(c2ccc3nc(-c4csc(-c5ccc(C)o5)n4)[nH]c3c2)NNC(=O)C1 587017379 VPANZWJJJGQBTE-UHFFFAOYSA-N 391.456 4.010 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3cc(OC)c(OC)cc3[nH]2)[C@@H]1c1ccccc1Cl 587060660 CBBAPUQIZTWEDD-XCLFUZPHSA-N 399.878 4.311 0 1 GIAF N=C(N)c1ccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c2c1 587067816 QRODYDUUILPBCC-UHFFFAOYSA-N 376.847 4.327 0 1 GIAF FC(F)(F)c1cncc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587115221 JKLXDXYJZCVVPL-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF CC[C@H](c1nc2c(C)ccc(C)c2[nH]1)n1cc(I)c(C)n1 587184065 CIIGMXNDJUSDDI-CYBMUJFWSA-N 394.260 4.289 0 1 GIAF CC(C)(C)OC(=O)N[C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)C1CCCC1 587227289 XYYNYDRXPTYRLB-SFHVURJKSA-N 387.480 4.480 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1CCCC[C@H]1C(=O)O)O2 587403331 GPNIPIWGGWVRSG-QSAZIKIQSA-N 379.456 4.329 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCc4cc(Br)cc(F)c41)[C@@H](C2)C3=O 587426341 BQCFOJUAJBIPLH-ORAYPTAESA-N 389.220 4.186 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cnn(-c4cc(C)ccc4C)c1C)[C@@H](C2)C3=O 587432972 UCXRJUBQLBMULC-MHECFPHRSA-N 388.467 4.469 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C)N(Cc3ccccc3)C(=O)C1)CC2=O 587482054 YXHIIWJNPKKAIY-DEOSSOPVSA-N 391.467 4.385 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518839 QWSHWPBLHCYNSX-VVWXKSFDSA-N 383.488 4.299 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)nc1Cl 587551593 HJSKORVBXVFRSD-BBRMVZONSA-N 389.194 4.192 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCNc1ccc(F)cc12 587572835 XASBTELFJKJLQG-UGKGYDQZSA-N 377.371 4.204 0 1 GIAF CC1=C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(N)cc2O1 587576508 HDKRXTQSRYWAIF-OFNKIYASSA-N 387.391 4.128 0 1 GIAF Cn1nc(C(C)(C)C)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580780 JGDSKJCXVPVNPI-RXVVDRJESA-N 378.428 4.126 0 1 GIAF CC(C)C[C@]1([C@@H]2CCCNC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595817 ONJCDJOBIQVASI-NIJIEXERSA-N 381.472 4.138 0 1 GIAF CC(C)N1C[C@@H]2CCC[C@H](C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599053 YWVMJPRHAFVVLF-RFTCQKCGSA-N 393.483 4.233 0 1 GIAF CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604462 UEXJVWZAIYVCMZ-DWAIAFKNSA-N 396.439 4.250 0 1 GIAF COC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2c(C(=O)O)cccc12 587639098 VNWVGHHQMABIPV-UHFFFAOYSA-N 392.194 4.196 0 1 GIAF O=C(c1cccc(F)c1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658181 JIGOTMLRZDLPQA-UHFFFAOYSA-N 380.325 4.169 0 1 GIAF CCCC(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O 587667575 PDKGBVWNPYACHY-UHFFFAOYSA-N 379.460 4.056 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccc(C(F)(F)F)n2)N1 587715062 RGLXXHJWTISALT-CPFSXVBKSA-N 390.178 4.021 0 1 GIAF CCCCC[C@]1(C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587798625 PPSWQIPKSVRXKP-XIKOKIGWSA-N 386.305 4.461 0 1 GIAF COc1ccc2[nH]nc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2c1 587799140 WMZKLIOFOCJFJP-NIVTXAMTSA-N 390.256 4.097 0 1 GIAF CCC[C@]1([C@H](CC)C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587807565 LUWZLTDYPPGISS-WHWRDJHUSA-N 386.305 4.317 0 1 GIAF CC[C@]1([C@H](C(=O)OC)C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587808527 OHADRTNVMYWWNO-CDNVCLAFSA-N 386.305 4.173 0 1 GIAF COc1cccc2c1[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808686 OGKQNDDZJOIGMD-WLRWDXFRSA-N 376.269 4.321 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2CCC(=O)O)N1 587826096 GHWBBZOFYXWOPM-BVRBVLIYSA-N 384.289 4.373 0 1 GIAF COC(=O)c1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587828206 MUNDNWBFNLPCGO-DYBLOJMWSA-N 396.256 4.074 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN1CCCCC1 587866016 AWUJAHQBZYTPSE-UHFFFAOYSA-N 381.398 4.094 0 1 GIAF Cc1sc2c(c1C)CCN[C@@]2(CC(=O)C(F)(F)F)c1ccc2c(c1)OCO2 963008089 JDJWTXXWLFSOCE-SFHVURJKSA-N 397.418 4.004 0 1 GIAF CN1C(=O)[C@]2(c3ccc(F)cc3C[C@H]3CCCN32)c2cc(Cl)cc(Cl)c21 963114697 WFHSKPSCFBMYBX-VLIAUNLRSA-N 391.273 4.373 0 1 GIAF O=c1c2sc3nc4c(cc3c2nnn1-c1ccccc1Cl)CCCCC4 1772647818 TXQVMMGWBTYGNK-UHFFFAOYSA-N 382.876 4.313 0 1 GIAF Cc1nn(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)c1ccc(-c2ccc[nH]2)cc1 1857583334 ADUIVTWDTGQPAI-RTBURBONSA-N 390.487 4.351 0 1 GIAF Cc1cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)ccc1F 3814602 KSVRGMHIRVZLOF-UHFFFAOYSA-N 398.381 4.409 0 1 GIAF CCOC(=O)OC[C@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1cccc(N(C)C)c1 7992148 BJQHPHLOVQMVEG-BHIFYINESA-N 397.471 4.369 0 1 GIAF NC(=O)c1cnc2cc(-c3ccncc3)ccc2c1Nc1cccc2[nH]ncc12 28959962 PHKXBPMGQNESSE-UHFFFAOYSA-N 380.411 4.016 0 1 GIAF Cc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 36093398 MXDQNCXNQJMIEH-UHFFFAOYSA-N 396.878 4.209 0 1 GIAF in-vivo CCC(=O)N(Cc1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 36507132 OYQFIXSFUPMSAU-JOCHJYFZSA-N 398.503 4.217 0 1 GIAF biogenic CCOC(=O)[C@H]1CCCN(Cc2coc(-c3ccc(Cl)cc3Cl)n2)C1 72182193 SZLRIXADLBLZTI-LBPRGKRZSA-N 383.275 4.424 0 1 GIAF O[C@@H]1[C@@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 73280218 DNAVFAFMJIQKJV-PXDATVDWSA-N 387.523 4.412 0 1 GIAF COC(OC)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)OCc1ccccc1 95553318 MLNZNKQFIRCUPF-FQEVSTJZSA-N 380.444 4.023 0 1 GIAF CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](C1(O)CCCC1)C=CC=C3CO 102406167 VMCWPULFQCTDQB-CQIJRDABSA-N 394.511 4.010 0 1 GIAF Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccccc2)c2ccccc12 114079960 YPTGBOUDNLIXLS-UHFFFAOYSA-N 384.483 4.214 0 1 GIAF CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@]2(C)C1 118928401 GVPGOBSHOOZRBN-FMUDOKAKSA-N 390.520 4.072 0 1 GIAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@H](C2)N(CC2CC2)CC[C@]314 136201678 IYMLCJZYVKMKSH-QRRBZYCPSA-N 398.506 4.458 0 1 GIAF CNC(=O)n1ncc2nccc(Nc3cc(-c4cc(F)ccc4F)ncc3C)c21 140293112 GKLQGFLTBRUPTD-UHFFFAOYSA-N 394.385 4.011 0 1 GIAF Cn1c(=O)ccc2c(NC(=O)N[C@H]3CC(C)(C)Oc4ccc(F)cc43)cccc21 145722307 CUICKZFQDWHHCO-KRWDZBQOSA-N 395.434 4.102 0 1 GIAF O=S(=O)(N[C@@H]1[C@H]2CC[C@H]1Cc1cc(F)ccc1C2)c1ccc(Cl)s1 195105965 WXZPJLSSIKLDLT-NVGCLXPQSA-N 385.913 4.013 0 1 GIAF Nc1nnc(-c2ccc3[nH]cc(-c4cnc(OC5CCCC5)cn4)c3c2)s1 204776734 VRXBTIZULFDBAA-UHFFFAOYSA-N 378.461 4.047 0 1 GIAF C[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)Cc2nnn(-c3ccccc3)c21 218497795 HRVGMFIVQKUQSO-LBPRGKRZSA-N 387.270 4.334 0 1 GIAF CN1CC=CCC(=O)Nc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 299814013 FWMQFPCUIRCJLI-UHFFFAOYSA-N 385.471 4.217 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 586888979 ZGKKVRQIXMDJGS-VBKZILBWSA-N 397.272 4.484 0 1 GIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@@H]3CCOC3)[nH]c12 586911268 GIVCOIQNCJQUGF-LLVKDONJSA-N 375.350 4.338 0 1 GIAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(Cl)ccc2[nH]1 586999474 BWTHFNISMGYRSJ-UHFFFAOYSA-N 391.608 4.458 0 1 GIAF Cc1cc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c(C)n1 587001691 PGTBJYJCBRKWCH-ONEGZZNKSA-N 386.249 4.279 0 1 GIAF Clc1cncc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587016948 FVFDJEIYXTYKEN-UHFFFAOYSA-N 378.848 4.449 0 1 GIAF FC(F)(F)c1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587085011 MIDIFDBZOMSWQF-UHFFFAOYSA-N 381.789 4.409 0 1 GIAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(C(F)(F)F)c2[nH]1 587193482 BHBIMRVJAXDXDM-ZDUSSCGKSA-N 386.418 4.099 0 1 GIAF Nc1ccc2c(c1)CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333793 IDYZHFSOEGTGTM-GGAORHGYSA-N 375.399 4.314 0 1 GIAF COc1cc(N)ccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341753 ZXOHVNSWFLYJMK-GMAHTHKFSA-N 393.414 4.396 0 1 GIAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Cl)c1OC(C)=O 587377771 YYYLYKYHCOPONQ-QGZVFWFLSA-N 389.835 4.261 0 1 GIAF CCOC(=O)C(F)(F)[C@@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587500519 PLIKZMRBFYRYQU-VLIAUNLRSA-N 378.415 4.268 0 1 GIAF COc1cc(F)cc(OC)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566685 ALZOVJLFGHIORM-DENIHFKCSA-N 396.370 4.251 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC=C2Br)N1 587687664 ZOCHWOOLHBQVAV-RMLUDKJBSA-N 375.079 4.390 0 1 GIAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F 587717471 GBYJOAXFOOAYDZ-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF CCOc1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc1C 587778700 PQPXSIMVLMFBNH-UHFFFAOYSA-N 375.222 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ccc(O)cc23)N1 587806836 WDFZKSIDJOLHMG-LZVRBXCZSA-N 375.241 4.399 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836523 WDUDTRFAIAZVPT-JEOXALJRSA-N 392.268 4.157 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2csc(C(=O)O)c2)N1 587844959 CSMDVULWJDOQOF-VPTHRUTESA-N 384.270 4.146 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)N=c1cc[nH]cc1 587860018 LGKDEDDVMXREAK-UHFFFAOYSA-N 377.231 4.153 0 1 GIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Cl)nc(Cl)c4[nH]1)(C3)C2 587951026 QCGMHBULYGXYKV-IMWAJYHESA-N 380.275 4.418 0 1 GIAF CCOC(=O)C(C)(C)[C@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962643033 OXRUUKLUYXDYLX-OFVILXPXSA-N 392.543 4.238 0 1 GIAF COc1cccc(CC[C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962673015 UYLXDUOEIDYVMI-ZJSXRUAMSA-N 390.483 4.016 0 1 GIAF C[C@]1(c2cnc(Nc3ccc(F)cc3)s2)c2ccsc2CCN1C(N)=O 962714638 VBKVUNBRAIRFNP-GOSISDBHSA-N 388.493 4.288 0 1 GIAF Cc1cc(O)nc(SC[C@]2(c3ccccc3)NCCc3c2sc(C)c3C)n1 963021593 JTLMNFZUWWNZST-OAQYLSRUSA-N 397.569 4.351 0 1 GIAF CN1C(=O)C[C@H]2CN[C@H](c3ccc(-c4cccc(F)c4F)o3)c3cccc1c32 963036622 XUDAFUNHFOPEPX-YTEVENLXSA-N 380.394 4.368 0 1 GIAF Cn1c(NCCc2ccc(-c3ccccc3)cn2)nc2cc(Cl)ccc2c1=O 1772595797 YIUAWVJDDWCTSP-UHFFFAOYSA-N 390.874 4.304 0 1 GIAF N=c1[nH][nH]c(=NCc2c(Cl)cccc2Oc2ccc(-c3ccccc3)cc2)[nH]1 1857577173 VPASDXYXORYAHL-UHFFFAOYSA-N 391.862 4.364 0 1 GIAF Oc1nc(SCc2cccc(I)c2)nc2ccccc12 1857655224 JTKQMUZFSKBUEA-UHFFFAOYSA-N 394.237 4.232 0 1 GIAF C[C@H](Oc1cc(-c2cnn(C3COC3)c2)cnc1N)c1cc(F)ccc1Cl 1911571299 GEIMDABMHWDGHY-NSHDSACASA-N 388.830 4.031 0 1 GIAF CC=Cc1ccc(O[C@@H](C)[C@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2356440049 LNEPYGTUEWFPKT-QKKBWIMNSA-N 388.460 4.255 0 1 GIAF C[C@]12CCC=C[C@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](c3ccc(=O)oc3)CC[C@@]12O 2356475574 IQRPHRMIXCXFEN-WBKJAGDWSA-N 384.516 4.162 0 1 GIAF CCOC(C(=O)OC[C@@H]1CCCN1C(C)C)(c1ccccc1)c1ccccc1 2033023 UBUVOKZFCAPGJD-QFIPXVFZSA-N 381.516 4.383 0 1 GIAF C[C@H]1C[C@H](C)CN(C(=O)[C@@H]2c3ccccc3C(=O)N3CCc4ccccc4[C@H]23)C1 4598106 FBFMCRWWDKFPBY-ZCVTWQBDSA-N 388.511 4.028 0 1 GIAF COc1ccc(C(=O)c2ccc3c(c2)C(n2ccccc2=O)=CC(C)(C)O3)cc1 13795368 NNUBVVWERGSWDK-UHFFFAOYSA-N 387.435 4.148 0 1 GIAF CN(C(=O)COc1cccc(Cl)c1Cl)[C@@H]1CCCC[C@@H]1N1CCCC1 26836592 STNKEHPJTIYUAI-CVEARBPZSA-N 385.335 4.238 0 1 GIAF Clc1ccc2[nH]nc(NC3CCN(Cc4ccc5nsnc5c4)CC3)c2c1 28529867 UHFIBCWVGOXCKG-UHFFFAOYSA-N 398.923 4.298 0 1 GIAF O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCC2(CCc3cc(F)ccc3O2)CC1 40943189 IUTAFCQVIUFADT-UXHICEINSA-N 380.463 4.251 0 1 GIAF COc1ccc(CNc2cc(C)nc3sc4c(c23)CCC2(C4)OCCO2)cc1 45189461 FHJUKXFTGIHGEQ-UHFFFAOYSA-N 396.512 4.457 0 1 GIAF CC(C)C(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C 45259152 UJPXPDDAXLPRHJ-SWXTZWQISA-N 396.543 4.021 0 1 GIAF Cc1ccn(-c2ccc(C(=O)N3Cc4cnn(C)c4Nc4ccccc43)cc2C)n1 45392145 HUJUWOZUJZKBDW-UHFFFAOYSA-N 398.470 4.127 0 1 GIAF COc1cccc(CNc2ccc(C(F)(F)F)c(O[C@H]3CCN(C)C3)c2)c1 95602605 BXBQZNDTFPEXHX-KRWDZBQOSA-N 380.410 4.409 0 1 GIAF O=C1NC2=C(CNC/C2=C\c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1 96270590 KKSPYLPVRMHOQR-MOVXZBDNSA-N 386.282 4.288 0 1 GIAF COc1cccc(CN2C[C@H]3N[C@@H](C2)[C@@H]3c2ccc(-c3ccccc3F)cc2)c1 100107189 JFSVESWCKQSOHX-QEIWAGNOSA-N 388.486 4.441 0 1 GIAF CN1CCN([C@H]2CC[C@H](c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1 101437336 CAGJHEKGANXSNK-QUPDYRNUSA-N 399.623 4.215 0 1 GIAF CC(=O)c1cccc(OCCCN2CCN(Cc3ccc(Cl)cc3)CC2)c1 103197249 KRYFPFYHYWYLHF-UHFFFAOYSA-N 386.923 4.129 0 1 GIAF CC(=O)O[C@H]1CC[C@H](C)[C@@]2(C)[C@H](OC(=O)C(C)C)c3c(C)coc3C(=O)[C@H]12 238774518 BSVVKCYFWUIZLC-ABNNWSJISA-N 376.449 4.009 0 1 GIAF O=C1C[C@H](Sc2ccc(C(F)(F)F)cc2)N1C(=O)NCc1ccccc1 299864057 LTJBZJNEBVNAKB-INIZCTEOSA-N 380.391 4.266 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(Cl)ccnc3[nH]2)cc1 586949119 QDLCMMQLMLZDCH-UHFFFAOYSA-N 398.875 4.388 0 1 GIAF Cc1nn(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c(C)c1Br 586978837 KBJYKMBJOBDWMN-UHFFFAOYSA-N 375.604 4.119 0 1 GIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cs1 587014497 RLQJDRIWHJMQIY-UHFFFAOYSA-N 399.398 4.125 0 1 GIAF O=C1COc2cc3[nH]c(-c4csc(-c5ccc(Cl)cc5)n4)nc3cc2N1 587015712 IUOOLDWHBBSLAI-UHFFFAOYSA-N 382.832 4.338 0 1 GIAF Brc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cn1 587016210 RUIVLZGBWSADAC-UHFFFAOYSA-N 399.273 4.446 0 1 GIAF N[C@H](Cc1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccccc1Cl 587056489 IAZQJWVFXZNLPC-SNVBAGLBSA-N 386.627 4.500 0 1 GIAF CC(C)COc1cc2nc(-c3cnc(Cl)nc3)[nH]c2cc1Br 587085844 KMRJKDFEDBFJFY-UHFFFAOYSA-N 381.661 4.471 0 1 GIAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cncnc2[nH]1 587087334 OSDSICZWPFKURL-SREVYHEPSA-N 385.258 4.383 0 1 GIAF CC(C)OC(=O)C1(c2nc3ccc(F)c(Br)c3[nH]2)CC(F)(F)C1 587131805 UQJZETSOLUUHAJ-UHFFFAOYSA-N 391.187 4.083 0 1 GIAF CCn1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587339847 FTNHWPLUNYDOGS-RBBKRZOGSA-N 380.419 4.330 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc3cc(C(F)(F)F)ccc3n1C)O2 587382232 KUVDLINQXOZVLP-LJQANCHMSA-N 389.377 4.363 0 1 GIAF CCc1cc(=O)oc2cc(OC[C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)ccc12 587410595 YOWQQSTWLVNEJH-HSZRJFAPSA-N 393.439 4.049 0 1 GIAF COc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OC(F)(F)F)c1 587420752 HCPODHUGZHAORP-FZKQIMNGSA-N 380.318 4.091 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(NC(C)=O)c1)CC2=O 587471858 VRJZWANYLXLXDU-QFIPXVFZSA-N 383.444 4.192 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(C(=O)O)ccc2OC1(C)C 587478672 HZCOZTLITUZSQN-JOCHJYFZSA-N 382.412 4.075 0 1 GIAF Cc1ccc(CNC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509661 DPHHCBYXLCXFQK-XMMPIXPASA-N 377.484 4.304 0 1 GIAF CCOC(=O)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587621628 GADOJVRDTAZMQX-UHFFFAOYSA-N 376.132 4.002 0 1 GIAF CC(C)(C)OC(=O)CCn1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656837 RBOYMAIRDCVQLO-UHFFFAOYSA-N 386.398 4.074 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C2CC2)(C(F)(F)F)N1 587706570 QTNAKNAIYOOJAM-GLEZIHRCSA-N 394.206 4.249 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3nc(Cl)ccc32)N1 587708073 XSNJFZLHEMJZOB-XYZCENFISA-N 381.676 4.361 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c(F)ccc(F)c32)N1 587735330 TXDIFFZDMQZLDS-NIVTXAMTSA-N 398.222 4.427 0 1 GIAF COCc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587801719 NETHRIHWNZPOPF-NSPYISDASA-N 394.284 4.367 0 1 GIAF Cc1cc(CN2CCC[C@@H](C)C2)c(C)c([C@H]2NCCc3nc4ccccn4c32)c1 962984847 OCCHHTARQIRWFO-MZNJEOGPSA-N 388.559 4.418 0 1 GIAF COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CC[C@H]2CCCC[C@H]2C1 1772633140 FCDOGQROZFGSLY-FUHIMQAGSA-N 383.540 4.038 0 1 GIAF CN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2ccccc2O)cc1 1857545503 JZAOWCVSGKACFT-UHFFFAOYSA-N 392.430 4.080 0 1 GIAF CCNC(=O)c1ccc(-c2c(C)nc3c(OCc4ccccc4)cccn23)cn1 1911586814 BTEIKVUDIAOFSP-UHFFFAOYSA-N 386.455 4.033 0 1 GIAF Cn1cc(CN2CCC[C@@H](CO)C2)c(-c2ccc(Oc3ccccc3)cc2)n1 13596755 XCGUSFCVNPQCPM-GOSISDBHSA-N 377.488 4.084 0 3 GIAF C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2Cc3ccccc3C2=O)cc1 590634 OUFGAEIXDBKNPC-AWEZNQCLSA-N 386.455 4.190 0 1 GIAF COc1ccc(-c2noc(C)c2C(=O)NCCc2c[nH]c3ccccc23)cc1 774139 HFGWJMOHGOKOLX-UHFFFAOYSA-N 375.428 4.112 0 1 GIAF C[C@]12CC[C@H](OC(=O)CCC(=O)O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 2562831 UQHKLJJUIGLUKP-QCBYSLFBSA-N 388.504 4.295 0 1 GIAF biogenic CCc1c(C)[nH]c(=O)c(I)c1Oc1cc(C)cc(C)c1 3819730 RGFNVBZLENOGJK-UHFFFAOYSA-N 383.229 4.259 0 1 GIAF CC(C)Cn1c(=O)n(C)c(=O)c2cc(NCc3ccc(C(C)(C)C)cc3)ccc21 13603219 FQLGZPGFVXLCCA-UHFFFAOYSA-N 393.531 4.266 0 1 GIAF COc1cccc([C@H]2c3cc4c(cc3O[C@](C)(N3CCCC3)[C@@H]2C)OCO4)c1 17254309 LUELUYBCCRBFBS-QABPDZFRSA-N 381.472 4.396 0 1 GIAF COc1cc2c(cc1OC)CN([C@@H]1CCCN(CCCc3ccccc3)C1)CC2 22930459 ZYCSZKGASWZYFJ-HSZRJFAPSA-N 394.559 4.159 0 1 GIAF CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc([C@]34CNC[C@H]3C4)cc2)cc1 35309617 PFWVQEFSAUYDCS-GCJKJVERSA-N 384.545 4.036 0 1 GIAF Fc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)cn1 45283901 RWWMQYYGHIHOGU-UHFFFAOYSA-N 397.523 4.347 0 1 GIAF COc1ccc2[nH]cc(C3=CCN(C[C@H]4C[C@H]4C(=O)c4ccccc4)CC3)c2n1 58583081 RHFHJKYBOJRHMS-RTBURBONSA-N 387.483 4.180 0 1 GIAF Cn1c(=O)c(Cc2ccc(F)cc2F)cc2cnnc(-c3ccc(F)cc3F)c21 64409756 JBICTACFWPDHRU-UHFFFAOYSA-N 399.347 4.143 0 1 GIAF COc1cc(-c2nc(CN3CCCc4ccccc43)co2)cc(OC)c1OC 72185463 UDDDKDGKFQVYCI-UHFFFAOYSA-N 380.444 4.320 0 1 GIAF COc1ccc(N2C=C(c3ccccc3)[C@H]3C(n4nc(C)cc4C)=NC=N[C@@H]32)cc1 98085508 OMJYBGMVTDULRR-DHIUTWEWSA-N 397.482 4.301 0 1 GIAF O=C1c2ccccc2NC(=O)[C@@H]2[C@@H]1[C@@H](c1ccccc1)C[C@]2(O)c1ccccc1 105520103 UZEGZIRZTKQDJC-AXJZPPOTSA-N 383.447 4.129 0 1 GIAF NC1=N[C@@]2(c3ccc(F)cc3F)CO[C@@H](c3cccc(F)c3)C[C@H]2CS1 221036654 PDMSCBPBNFMNCP-WILYLXEWSA-N 378.419 4.139 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H](OC(C)=O)C(=O)[C@]4(C)CC[C@H]32)C1 255282878 YALOOLVBDYZGLY-CRGJMJCGSA-N 390.520 4.072 0 1 GIAF C[C@@H]1CCCN(C(=O)CSC[C@H]2CN(C)CC[C@H]2c2ccc(Cl)cc2)C1 299869992 GOCKZFNRKPOAGC-POAQFYNOSA-N 395.012 4.367 0 1 GIAF in-vivo O=C1c2ccccc2-c2cc(Cn3ccc(C(F)(F)F)n3)nc3ccc(O)c1c23 586985924 HKCCYWDQMONNDR-UHFFFAOYSA-N 395.340 4.415 0 1 GIAF CCOC(=O)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c1 587092540 VPIBJQUWEMETKK-UHFFFAOYSA-N 381.379 4.456 0 1 GIAF CC(C)(C)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587126421 ATJYCGRKKDPBEF-UHFFFAOYSA-N 383.395 4.216 0 1 GIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc5cn[nH]c5cc4[nH]3)c2)c1 587234275 DPOLFDAURWQVPN-UHFFFAOYSA-N 381.439 4.057 0 1 GIAF Cc1ncn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587339907 GVBVBIUNLBYSJR-IFMALSPDSA-N 380.419 4.162 0 1 GIAF CSc1sc(SC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1CO 587409853 JSSDZEBASZGNLC-ZDUSSCGKSA-N 381.544 4.281 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1nc(Br)ccc1F)CC2=O 587466851 NIDCCCFDTHYDSR-AWEZNQCLSA-N 380.213 4.348 0 1 GIAF C[C@@H]1CN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)C[C@@H](C)O1 587515130 QKMHXHGNEGCZFC-XCGNWRKASA-N 392.499 4.281 0 1 GIAF O=C(Cc1ccsc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657177 OYGMMLLSQKAYCV-UHFFFAOYSA-N 382.391 4.286 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3cccc(F)c32)N1 587738916 RUHPIIZBQSIQFB-YPMLDQLKSA-N 380.232 4.288 0 1 GIAF CCCOc1ncccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587775381 ZRIJTQIXLJINMF-APPDUMDISA-N 379.273 4.396 0 1 GIAF O=C(Cc1nc2cc(Cl)cc(Br)c2[nH]1)OCc1ccccc1 587781047 CDLVIMPQPMUUQE-UHFFFAOYSA-N 379.641 4.265 0 1 GIAF CCOC(=O)[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587799283 ROKMBHXBGDAHAE-YNKQFZHNSA-N 384.289 4.071 0 1 GIAF COCOc1ccccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587804964 GBVDSUJPBCNHHR-BLVKFPJESA-N 394.284 4.369 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H](O)c3ccccc32)N1 587835435 WLFYIMJANGWPNI-RWTORFTKSA-N 376.269 4.193 0 1 GIAF CN(c1ccc(-c2csc(-c3ccc(Cl)cc3N)n2)cc1)S(C)(=O)=O 587923910 QZADDKJECBOFGF-UHFFFAOYSA-N 393.921 4.109 0 1 GIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(Br)ccnc2[nH]1 587926563 IRYOZWYSWWXBDX-NSHDSACASA-N 376.254 4.280 0 1 GIAF COC[C@H](C)CN1[C@H](C)Cc2cc(O)ccc2[C@H]1c1ccc(/C=C/C(=O)O)cc1 653737674 VBVXGJFZNBCFBY-AQWNMNPJSA-N 395.499 4.109 0 1 GIAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1ccc(Br)cn1 962706792 OOOJHTAJGMLCKQ-FZKQIMNGSA-N 393.325 4.436 0 1 GIAF COc1cccc([C@@]2(c3oc4ccccc4c3N)NCCc3c(C)ccnc32)c1 963069160 LWDUQMCESMUAIL-XMMPIXPASA-N 385.467 4.165 0 1 GIAF CCOc1cccc(-c2cn3c(-c4ccc(C(=O)NC5CC5)cc4)cnc3cn2)c1 1857594948 MHIHHNJJHMVQMA-UHFFFAOYSA-N 398.466 4.354 0 1 GIAF COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc(O)cc3N)cc1)CC2 1857766625 KWSNTIQRYIXOEL-UHFFFAOYSA-N 390.483 4.217 0 1 GIAF C[C@H]1CCCC[C@H]1NC(=O)NCCCc1nnc(C2CC2)n1-c1ccc(F)cc1 1911577185 KEJFUTRFDWQQAX-HNAYVOBHSA-N 399.514 4.094 0 1 GIAF COc1cc(CCCOC(C)=O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C 2356608854 VTRIMEHDVSQBRE-ASSNKEHSSA-N 384.428 4.157 0 1 GIAF CC(=O)c1ccc(O[C@@]2(C)CCN(Cc3cccn3-c3nccs3)C2)cc1 61930943 YTYBHQMHVWKCMW-NRFANRHFSA-N 381.501 4.180 0 3 GIAF Nc1sc2c(c1C(=O)c1ccc(I)cc1)CCCC2 13558664 MNJVLMYVCJMLJP-UHFFFAOYSA-N 383.254 4.045 0 1 GIAF COc1cccc2c(C(=O)N3C[C@H](C)N(C)[C@H](C)C3)cn(CC3CCCCC3)c12 13975397 DMYGECJTVMCGEP-HDICACEKSA-N 397.563 4.395 0 1 GIAF C/C(=C\Cc1cc(C(=O)O)ccc1O)CC/C=C(\C)CC[C@@H](O)C(C)(C)O 14511583 YYGRLLZNBMWBAX-CKDJIIMFSA-N 376.493 4.218 0 1 GIAF O=C(O)CCC/C=C1/C[C@H]2[C@H](C1)C[C@@H](O)[C@@H]2CC[C@@H](O)C1Cc2ccccc2C1 26148544 UFZMJHCRGNECQE-XKBAPUMQSA-N 398.543 4.131 0 1 GIAF COc1cccc2c1CCC[C@@H]2NCCN1CCN(c2ccc(Cl)cc2)CC1 26673247 CIXHJOHVILFKGB-QFIPXVFZSA-N 399.966 4.138 0 1 GIAF CN1CCC(N2CNc3ccc(NC(=O)c4ccc(F)cc4Cl)cc32)CC1 28393306 HORYMJPSJIHJTK-UHFFFAOYSA-N 388.874 4.015 0 1 GIAF O=C(Nc1ccccc1)N1CCN(Cc2ccc3cc(Cl)ccc3n2)CC1 35996741 QNVSYJKIWQNHKE-UHFFFAOYSA-N 380.879 4.238 0 1 GIAF CCN(CC)CCCc1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40849209 AUHYRWVVNSBAQV-QHCPKHFHSA-N 397.515 4.165 0 1 GIAF COc1c2occc2c(NC(=S)NCc2ccccc2)c2ccc(=O)oc12 43119746 RCWQOLKUGZHPIC-UHFFFAOYSA-N 380.425 4.034 0 1 GIAF CC(C)CNc1ncnc2c1nc(-c1ccccc1)n2CC[C@@H]1CCCN1C 82177778 GVMABPMBAWMISV-SFHVURJKSA-N 378.524 4.046 0 1 GIAF CC(=O)N(C)c1ccc(Oc2ccnc(NCc3c(C)cccc3C)n2)cc1 84688641 IYUIKKAKNUXNTE-UHFFFAOYSA-N 376.460 4.481 0 1 GIAF CN1C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)[C@]1(C)c1ccc(O)cc1 95578620 YPONBLYNQFHCLA-KRWDZBQOSA-N 381.284 4.178 0 1 GIAF Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@@H]4C3=O)c2)c1C 100839307 ZOYAADJVAJUVGJ-UAOJZALGSA-N 390.483 4.481 0 1 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)Nc4noc5ccccc45)ncc23)ccn1 261138739 MQUGNBXRHIQTGV-UHFFFAOYSA-N 385.387 4.114 0 1 GIAF C[C@]12CC[C@@H]3[C@H]4CC[C@@](C)(O)C[C@@H]4CC[C@H]3[C@@H]1CC[C@@H]2C(=O)Cn1ccnc1 299851365 FQDQLHDSVITISC-XAMKQDTLSA-N 384.564 4.472 0 1 GIAF COc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1C 587001742 GOFCNUIIBSDASB-UHFFFAOYSA-N 385.265 4.235 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccnc(Cl)c2[nH]1 587002146 JWUJUHKTHLBFQK-NSHDSACASA-N 390.672 4.098 0 1 GIAF COc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1OC 587012190 HHVZVMJBKAEPSP-UHFFFAOYSA-N 380.267 4.344 0 1 GIAF Cc1ccnc2nc(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)[nH]c12 587091817 PBXYWHWOEOYDGT-UHFFFAOYSA-N 376.260 4.288 0 1 GIAF O=C1C[C@H](c2nc3cccc(C(F)(F)F)c3[nH]2)CN1Cc1ccc(F)cc1F 587149179 MOKGDXJGQWOSTA-NSHDSACASA-N 395.331 4.376 0 1 GIAF O=C(COc1ccccc1-c1nc2ccc(Cl)nc2[nH]1)Nc1ccccc1F 587154481 PXRPUEKMPCBKQI-UHFFFAOYSA-N 396.809 4.435 0 1 GIAF C[C@@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172883 OOASSWYDWXJYNR-KRWDZBQOSA-N 382.288 4.488 0 1 GIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cnc4ccccc4c3[nH]2)cc1 587244915 PHRPISYRPVFWFE-UHFFFAOYSA-N 383.411 4.251 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccncc1Br)CC2=O 587457697 BEIYTJNRUJVAIX-GOSISDBHSA-N 376.250 4.383 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2nc(F)ccc12 587572155 TULDOESHMKCIPF-YLJYHZDGSA-N 376.343 4.111 0 1 GIAF CCOc1ccc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594700 HJDMSYIAJFDECQ-UGKGYDQZSA-N 378.380 4.199 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ncc(F)cc23)N1 587734376 RBGBRRIQFDIKPT-PWJLMRLQSA-N 378.220 4.227 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(C(=O)O)ccc32)N1 587825985 JADSZNAWEMPMRK-GIGQVBGESA-N 390.252 4.010 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NCCSC 587860009 OKKUJKLDKPHEPG-UHFFFAOYSA-N 390.361 4.341 0 1 GIAF Cc1ccc([C@@]2([C@H]3CC[C@@H](C(=O)O)CC3)NCCc3c2c(C(C)C)nn3C)cc1 962916184 IZOQDMRXQACOMK-PDOGEWKWSA-N 395.547 4.132 0 1 GIAF COC(=O)c1ccc(F)cc1-c1ccc([C@H]2NCCc3ccc(O)cc32)cc1 963331316 YPVJQEYCAWJFRT-JOCHJYFZSA-N 377.415 4.220 0 1 GIAF Oc1ccc2c(c1)[C@H](c1ccc(Oc3nccc(C(F)(F)F)n3)cc1)NCC2 963351358 GQCSYAMWMFSBRE-SFHVURJKSA-N 387.361 4.228 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1coc2cc(C)c(C)cc2c1=O 963632619 GELFOBWQTLEDPX-FPTDNZKUSA-N 379.456 4.051 0 1 GIAF O=C(C[C@]1(O)CC[C@H](Cc2ccccc2)CC1)Nc1ccc2nc(O)oc2c1 1772630673 KNBMOQSAHMMLCJ-CIEDQVTBSA-N 380.444 4.026 0 1 GIAF CC1=C2[C@H](OC(=O)C=Cc3ccccc3)[C@H](C(C)C)CC[C@@]2(C)C(=O)C[C@@H]1O 2356494847 UWFXUVFDMVGMOG-TWXAQOBRSA-N 382.500 4.334 0 1 GIAF COCC(=O)Nc1ccc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2c1 13671595 BOTQXVZWXJGWAV-UHFFFAOYSA-N 395.221 4.404 0 1 GIAF COc1cc2cc(C(=O)CCc3cc[n+](CC4CC4)cc3)sc2cc1OC 13818079 NKMJIMRHVLBYRZ-UHFFFAOYSA-N 382.505 4.432 0 1 GIAF CN1C(=O)[C@@H](Cc2ccccc2)N=C(c2ccc(O)cc2)c2cc(Cl)ccc21 26996547 CRLCIILQTBBPIC-HXUWFJFHSA-N 390.870 4.471 0 1 GIAF CCCC[C@@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CC/C=C(/F)CCC(=O)OC 29570404 JSPJXWJMYDOTQN-QZABNNEVSA-N 398.515 4.027 0 1 GIAF CCOC(=O)N(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(Cl)cc1 34430709 LCXZZUYXJFXFQM-UHFFFAOYSA-N 382.750 4.131 0 1 GIAF CCN(CC)C(=O)c1cc(C2=CC3(CCNCC3)Oc3ccccc32)cs1 43012106 ZIDVNUPMZWXECL-UHFFFAOYSA-N 382.529 4.176 0 1 GIAF CSCCC(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(OC(F)(F)F)cc1 45300861 TVORCCNJIAZIDQ-OAHLLOKOSA-N 399.438 4.018 0 1 GIAF COC(=O)c1ccc(N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)cc1 45370321 AMOUMDJWCMFHOD-UHFFFAOYSA-N 384.819 4.367 0 1 GIAF NCc1ccoc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 66101750 WZCODHDIGWESMW-HXUWFJFHSA-N 387.487 4.089 0 1 GIAF CNc1cccc(NCCCc2cccc(NCCCc3ccccn3)n2)n1 72316765 RXKZDFLOELVUMP-UHFFFAOYSA-N 376.508 4.003 0 1 GIAF Clc1ccc(-n2ccc(OCCOCCN3CCCCC3)n2)cc1Cl 95555835 AILGBBRMXHWWAF-UHFFFAOYSA-N 384.307 4.060 0 1 GIAF COc1cc([C@@H]2CC(c3ccccc3)=Cc3n[nH]c(O)c32)cc(OC)c1OC 103182699 DHLAVAADLFCNCZ-INIZCTEOSA-N 378.428 4.217 0 1 GIAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)N1CCCC1 169720792 MWOOFQXRXCRPCL-SJORKVTESA-N 377.275 4.124 0 1 GIAF Cc1cccc(C2=N[C@@H](Cc3ccccc3)C(=O)c3c(nc4ccccn34)N2)c1 200213191 NGAKEASGNMXXPK-IBGZPJMESA-N 380.451 4.309 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586894846 FODFWBQYLOOWEK-UHFFFAOYSA-N 386.451 4.495 0 1 GIAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586983798 JBWTXZUVFHOAJG-JTQLQIEISA-N 386.080 4.270 0 1 GIAF COc1cc(-c2nc3ccc(OC)nc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144104 PKQDDFICYBSEAW-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF COc1c(Br)cccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587376690 JWJVMPPJKHRHEL-SFHVURJKSA-N 376.250 4.229 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccs1)(c1ccccc1C(=O)O)O2 587414809 WDCLMZBHBRIAPI-OAQYLSRUSA-N 379.437 4.246 0 1 GIAF CCOC(=O)[C@@]1(c2ccc(OC)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503384 GQKOOSWEJGHNBG-QHCPKHFHSA-N 398.430 4.137 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1ccc(Cl)nc12 587552128 NRXMJUBEDXDPII-LAUBAEHRSA-N 379.799 4.244 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(F)cc(F)cc12 587571599 QRXDUBUXCXZALZ-PGRDOPGGSA-N 396.345 4.310 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1Cc1cccnc1 587576921 LGWDFQILBGUXCS-XUZZJYLKSA-N 398.418 4.340 0 1 GIAF O=C(CSc1cccc2cccnc12)n1ncc2ccc(Cl)cc2c1=O 587653492 AVQLPFXTPBMKRG-UHFFFAOYSA-N 381.844 4.031 0 1 GIAF O=C(COc1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659136 YEPICZBDJAROMT-UHFFFAOYSA-N 392.361 4.061 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C2CC2)(C(F)(F)F)N1 587704665 JHIAWXZFUJAOER-AYVTZFPOSA-N 394.206 4.249 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cnc3ccccc3n2)N1 587779449 SKSIOJOYYNRAII-WLRWDXFRSA-N 386.268 4.329 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587795781 JHXIKPXEULAVQX-JFVXACQESA-N 398.316 4.317 0 1 GIAF CCOC(=O)C[C@]1(C2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799226 RHCVECBAOLKDJN-ADLMAVQZSA-N 384.289 4.071 0 1 GIAF Cc1ccc2c(c1)OC[C@]1(CO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587832430 BSOFIGGJSMHNAX-BLVKFPJESA-N 392.268 4.098 0 1 GIAF COc1ccc(-c2ccc(-c3nc4ccnc(OC)c4[nH]3)c(O)c2)cc1OC 587927563 RAAHFPILTZAVGJ-UHFFFAOYSA-N 377.400 4.023 0 1 GIAF CC(C)(c1ccccc1)[C@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972530 JGEWGLSRDWKXGV-MGPUTAFESA-N 379.834 4.410 0 1 GIAF COc1cc([C@@]2(C)NCCc3c(Cl)cc(Cl)cc32)cc(OC)c1OC 963108266 NJERAWATLVKFHF-LJQANCHMSA-N 382.287 4.428 0 1 GIAF Clc1ccc(-c2nc(-c3cc4ccccc4nc3N3CCOCC3)no2)cc1 1772588638 IFCBRXJLXJZATG-UHFFFAOYSA-N 392.846 4.442 0 1 GIAF N[C@H](CNCc1cc2cccc(-c3ccc4ccccc4c3)c2s1)C(=O)O 1772639808 FHIOWMHWEJSEAR-HXUWFJFHSA-N 376.481 4.223 0 1 GIAF Fc1ccc(COc2cncc(-c3cnn(C4CCNCC4)c3)c2)c(Cl)c1 1857649855 QMSUENNOVLFLOQ-UHFFFAOYSA-N 386.858 4.241 0 1 GIAF OCCCCn1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2ccccc21 1857758219 MOMLEHVTOYMUML-UHFFFAOYSA-N 388.393 4.226 0 1 GIAF Cc1ccc2c(NC(=O)C(=O)Nc3ccccc3)c(C(=O)c3ccccc3)[nH]c2c1 1911582281 SVYZUKPLQVCVMR-UHFFFAOYSA-N 397.434 4.285 0 1 GIAF C[C@@H]1CN=C(c2ccc(Cl)cc2)c2c3ccc(C(F)(F)F)cc3[n+]([O-])n21 206060845 CZQMNMFEZWMHOS-SNVBAGLBSA-N 379.769 4.359 0 3 GIAF COc1cccc(C2=CC[C@@H](N3CCN(c4ccccc4OC)CC3)CC2)c1 13470701 WNELYPHBVMGNQP-OAQYLSRUSA-N 378.516 4.462 0 1 GIAF CCCc1ccc(C(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3NC2=O)cc1 26378080 HVCKSMJQYHBENY-HSZRJFAPSA-N 397.478 4.185 0 1 GIAF O=C(CN1C(=O)CS[C@@H]1c1ccccc1)Nc1cc(Cl)cc(Cl)c1 28395044 IDNDVZIFFCFDDS-QGZVFWFLSA-N 381.284 4.206 0 1 GIAF CC(C)n1cnc2ccc3nc(C(=N)OCc4ccccc4)sc3c2c1=O 40379716 KMPXHOHRWCFMTC-UHFFFAOYSA-N 378.457 4.129 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)CN(C)CC2 45302997 SXUFARXANNKXST-KRWDZBQOSA-N 376.294 4.086 0 1 GIAF COc1ccc([C@@H](N)c2ccc3sc(-c4ccnc(N)n4)c(C)c3c2)cc1 49045247 WOXPVFLBCQFWPE-LJQANCHMSA-N 376.485 4.306 0 1 GIAF O=C(CN1CCCC1)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 49068957 TURBNQICVXMJGS-UHFFFAOYSA-N 388.393 4.283 0 1 GIAF COc1ccc2sc(CNc3nncc(-c4c(F)cccc4F)n3)nc2c1 95580769 OXYNYNSQZVVZBC-UHFFFAOYSA-N 385.399 4.047 0 1 GIAF O=Cc1ccccc1-c1ccc(-c2cc(=O)cc(N3CCOCC3)s2)cc1 101076057 CYIITYBANDMDOZ-UHFFFAOYSA-N 377.465 4.091 0 1 GIAF O=C(c1cc2c(C(F)(F)F)cc(-c3ccccc3)nc2s1)N1CCOCC1 103241973 JVGFVRBUKYGWPF-UHFFFAOYSA-N 392.402 4.455 0 1 GIAF COc1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)[nH]c23)ncn1 118745866 OANXOEXNBCTCLW-UHFFFAOYSA-N 387.230 4.474 0 1 GIAF CC(C)Nc1nc2cnccc2nc1N1CCC(Oc2ccc(F)cc2F)CC1 144183450 LEJACDAYCKLGHZ-UHFFFAOYSA-N 399.445 4.171 0 1 GIAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)c(Cl)c1 169359298 GBSHIUSLZXGHTO-KEYSHBLASA-N 396.712 4.142 0 1 GIAF Cc1c2cc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)ccc2nn1C 223058611 ILAODGHSGTUINL-UHFFFAOYSA-N 379.847 4.265 0 1 GIAF CO[C@]1(C)CCC[C@]2(C)[C@@H](CN(C)C)C[C@@H](C3=CC[C@@H](C(C)(C)O)OC3)C[C@@H]12 238788149 GRJRDZBKHTWUTA-BLLLPLFDSA-N 393.612 4.272 0 1 GIAF C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C 255224557 KXGVEGMKQFWNSR-SBODENBLSA-N 392.580 4.478 0 1 GIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2ccc(F)cc2)n1 261089849 DINBYFSPGOJJFY-FQEVSTJZSA-N 378.403 4.142 0 1 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)NC4(c5ccccc5)CC4)ncc23)ccn1 261109970 HXWIBMBUEBDSHJ-UHFFFAOYSA-N 384.443 4.139 0 1 GIAF COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1N1CCOCC1 473136257 OUFVYYAPWRFHLM-UHFFFAOYSA-N 388.830 4.011 0 1 GIAF COC(=O)[C@@H]1c2ccccc2-c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991930 LEKJUWVTNWMCHF-LJQANCHMSA-N 393.398 4.437 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@@H]3C[C@@H]3c3cccc(F)c3)nc-2[nH]1 587161623 PAARXUPZQCSCTN-HZPDHXFCSA-N 375.407 4.032 0 1 GIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 587163222 IZKIQCDQYUFVCV-CYBMUJFWSA-N 383.652 4.164 0 1 GIAF C[C@@]1(c2cn3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332535 ANLBSSHZGRYBEW-GMAHTHKFSA-N 388.398 4.453 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(/C(=C\N(C)C)c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419078 CKGZBDPQHDDNIR-AAURWFKWSA-N 383.875 4.457 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cccc4c1cnn4[C@@H]1CCCCO1)[C@@H](C2)C3=O 587429965 CGDRIQMDJKWHNH-ITSWEJNFSA-N 390.439 4.233 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1ccsc1N)[C@@H](C2)C3=O 587453817 UHUAYRKTQDRYDD-JTSKRJEESA-N 377.465 4.339 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587476358 ORXQKFPTGNCIQQ-GCJKJVERSA-N 389.492 4.468 0 1 GIAF Cn1ncc2ccc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587584236 ZBRPYHIQNPMKEN-NZQKXSOJSA-N 386.407 4.156 0 1 GIAF Cc1cc(C(=O)O)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608613 LVWDDAFGQKGFCA-RXVVDRJESA-N 376.364 4.102 0 1 GIAF CCCSc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587615207 XAKFZMMGGYGLSU-YLJYHZDGSA-N 394.452 4.387 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(F)cc(F)cc32)N1 587737814 HNFLRZYBYWITMG-NIVTXAMTSA-N 398.222 4.427 0 1 GIAF CCn1nc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587753230 AJZPFJRCGHXSJH-MGNBDDOMSA-N 380.305 4.219 0 1 GIAF CSc1ncc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587846243 PPGONFVJWYCFFC-XYZCENFISA-N 396.329 4.206 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sc(C)nc1C 587863812 JTHWRKRVLMLLOO-UHFFFAOYSA-N 381.379 4.339 0 1 GIAF CC(C)CN1C(=O)c2cccc3c(S(=O)(=O)NC4CCCCC4)ccc1c23 653738937 XBBWEQZBDLITIX-UHFFFAOYSA-N 386.517 4.067 0 1 GIAF COc1ccc2c(c1)[C@@](COC(C)=O)(c1ccc(Cl)cc1)N(C(C)C)CC2 962094802 XNIUYZHQZMOZIL-JOCHJYFZSA-N 387.907 4.422 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CC(=O)NCCc2ccccc2)N1 962958669 QPHXFROVLXAWGY-HOYKHHGWSA-N 375.516 4.056 0 1 GIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2scnc2Cl)N1 963169114 HALVUOYPJVOENV-NXEZZACHSA-N 397.205 4.157 0 1 GIAF COc1ccc(CCN2CCC(C(=O)c3nc4ccccc4s3)CC2)cc1 598656 FOEHSYMATISXPO-UHFFFAOYSA-N 380.513 4.442 0 1 GIAF O=C(NCCc1ccc(F)cc1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccsc1 767028 UJFMWAPPYXSSDJ-FPOVZHCZSA-N 394.471 4.338 0 1 GIAF Cc1nc2cnc(Oc3cccc(Cl)c3)nc2n(Cc2ccc(F)cc2)c1=O 4238623 ORHGRLRXMXYIJE-UHFFFAOYSA-N 396.809 4.128 0 1 GIAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(C(C)=O)nc12 13442848 WKYYZUHPXHDIQW-UHFFFAOYSA-N 390.226 4.400 0 1 GIAF O=C1CS[C@H](c2c(F)cccc2Cl)N1c1ccc(Br)cn1 27626022 NPYUBWXOZCAGDE-CQSZACIVSA-N 387.661 4.415 0 1 GIAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(NC(C)=O)cc1 28221529 ATNDUSHUAIPEAK-UHFFFAOYSA-N 389.477 4.435 0 1 GIAF O=C1Cc2ccccc2N1C/C=C\CN1CCN(c2cccc3ccccc23)CC1 40951827 GIFYHUSNALLKOZ-WAYWQWQTSA-N 397.522 4.107 0 1 GIAF COc1cc(N[C@H](C)CCCNC(=O)NCc2ccccc2)c2ncccc2c1 42922887 DOBCSXPMPWOOCH-QGZVFWFLSA-N 392.503 4.323 0 1 GIAF Nc1nc(N)c2c(n1)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CCc3ccccc3C1=N2 53298745 MSMNHRUJBYREDU-HOTGVXAUSA-N 390.878 4.144 0 1 GIAF Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4ccncc4)c(Cl)c3)c21 64442650 ROZXJVHSZADRDQ-UHFFFAOYSA-N 394.822 4.453 0 1 GIAF C[C@@](O)(CSc1ccc(Br)cc1)c1nc(-c2ccccc2)no1 73294810 SABLWZVBMGEOOA-QGZVFWFLSA-N 391.290 4.499 0 1 GIAF COc1cc(C(=O)c2c(-c3cc[nH]c3)[nH]c3ccccc23)cc(OC)c1OC 95597109 LOCCYXQSOXPNAE-UHFFFAOYSA-N 376.412 4.420 0 1 GIAF Nc1cc(F)ccc1NC(=O)CCCCCNC(=O)c1cc2ccccc2o1 117583362 ZVQRQNJSQOWCQP-UHFFFAOYSA-N 383.423 4.083 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 169324622 UVYBXVJYKDNRLY-CHRONCOPSA-N 386.580 4.460 0 1 GIAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCC(=O)N2c2ccc(Cl)cc2)no1 205494989 RGOCFGYJQHWSTE-AWEZNQCLSA-N 375.856 4.150 0 1 GIAF Cc1ccc(Cn2nc3c4ccccc4n(Cc4ccccn4)cc-3c2=O)c(C)c1 299822149 MQVWRHWLJNSJTQ-UHFFFAOYSA-N 394.478 4.411 0 1 GIAF CN1CCN(Cc2cccc(CNC3(c4ccccc4F)CCCC3)c2)CC1 473107758 KLOIGJOIDBDDEC-UHFFFAOYSA-N 381.539 4.132 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@H]3SCCc4sccc43)[nH]c12 587036647 IIIDKROMBWPNOF-ZDUSSCGKSA-N 395.303 4.464 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cc(C)cc(Br)c2[nH]1)c1ccc(C)cc1 587205824 FYXBSRRXYATIRB-INIZCTEOSA-N 386.293 4.362 0 1 GIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc3cn[nH]c3cc2[nH]1 587258626 PLMVUDZDBRAJIJ-KRWDZBQOSA-N 384.443 4.011 0 1 GIAF Cn1cc(Cl)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587332020 QNMMBDUYOXSZAG-FXAWDEMLSA-N 386.810 4.193 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCN[C@@H]3CCCC[C@@H]32)[C@@H]1c1ccc(F)cc1 587351796 VHWCRMACPJDHTJ-KPYOPSEVSA-N 381.447 4.181 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3cc(C(F)(F)F)cn3)cc1)O2 587383651 UWAMMXDHZFKASF-SFHVURJKSA-N 387.361 4.488 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCC(=O)O)(c1cccc(OC(C)C)c1)O2 587400365 NEPNBIQHDKHTOL-QFIPXVFZSA-N 383.444 4.090 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ncnc1Cl 587550770 BRQGEUOEHSTOKH-BLLLJJGKSA-N 389.194 4.192 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1c(F)ccc(F)c12 587567079 BYIJWACJSMJDSZ-PGRDOPGGSA-N 396.345 4.310 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1ccc3c(c12)CCO3 587609602 OGJDAACLDWAVEU-QPPBQGQZSA-N 386.403 4.130 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nc3ccc(F)cc3[nH]2)N1 587727344 BLGBFCLHVHQUKT-VPTHRUTESA-N 378.220 4.227 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-n3ccnc3)cc2)N1 587759209 ZPANVZQBBZDWAA-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C)N[C@@H]3CCCC[C@H]32)N1 587795820 OSXVZFZVRIEHBG-UCTKEYDRSA-N 381.333 4.258 0 1 GIAF COc1ccc2c(c1)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587808961 OYTPPIOWWXZPPV-WYRIXSBYSA-N 376.269 4.321 0 1 GIAF COc1ccc2c(c1)OCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587833160 FSAFTVYGTLILMW-JEOXALJRSA-N 392.268 4.157 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587845678 FKWYQPHKHQGODA-ANRSDYALSA-N 384.270 4.060 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(N)c(N)c1 587858094 CPUQYWOQYKNCJH-UHFFFAOYSA-N 391.258 4.109 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(Cl)c1 587867722 CPQVVLROAXTHAV-UHFFFAOYSA-N 381.741 4.314 0 1 GIAF CC[C@@]1(Cc2nc3ccnc(Br)c3[nH]2)CC(=O)c2ccccc2C1 587962224 VYBAEBCADCVLHV-IBGZPJMESA-N 384.277 4.488 0 1 GIAF CCOC(=O)CC(=O)Nc1cc(Cl)c(Oc2ccc(O)cc2)c(Cl)c1 653901700 FNQGCQJGZGAQCB-UHFFFAOYSA-N 384.215 4.383 0 1 GIAF COc1cc2c(cc1OC)[C@H](C(C)(C)C(=O)OCc1ccccc1)N(C)[C@@H](C)C2 962622083 JBCUYWBXDYNEHQ-KSFYIVLOSA-N 397.515 4.391 0 1 GIAF CCC[C@@]1(c2ccc(F)cc2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962636212 POIWWHRXXUJMRN-KXBFYZLASA-N 397.368 4.367 0 1 GIAF O=C(NCc1ccccc1)c1cccc(NCc2c[nH]c(-c3ccncc3)n2)c1 1772601143 AGVLCYIXOACYIT-UHFFFAOYSA-N 383.455 4.014 0 1 GIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3cc(C(F)(F)F)ccc3C2)cc1 1772655638 VALNCIITGYWFLX-CQSZACIVSA-N 376.422 4.461 0 1 GIAF CC1=C(C(=O)O[C@H](C)C(F)(F)F)[C@@H](c2ccoc2)N2C(=N1)Nc1ccccc12 1857607478 USGGIXUYELPVSJ-BDJLRTHQSA-N 391.349 4.390 0 1 GIAF CSc1ccccc1NC(=O)C(C)(C)n1cc(-c2nc(C)cnc2C)cn1 205233359 BFYLFVHQKZRLMM-UHFFFAOYSA-N 381.505 4.053 0 3 GIAF CS(=O)(=O)c1ccc(-c2c(Cl)nc(Cl)n2-c2ccc(F)cc2)cc1 13525140 JPDURFQHFGMZJO-UHFFFAOYSA-N 385.247 4.389 0 1 GIAF CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(C)ccc2[C@@H]1O3 26146777 WZEWMBNWOJJFNU-QFIPXVFZSA-N 376.456 4.411 0 1 GIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccnc1 26579039 COCMDKLCGPHEHY-ODUYVQIQSA-N 392.455 4.420 0 1 GIAF COC(=O)[C@@H](c1ccc2c(c1)OCO2)c1c2c(nc3ccccc13)CCCC2 26824008 OQUYJGQEHATGLA-NRFANRHFSA-N 375.424 4.147 0 1 GIAF C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cc(Cl)cc(Cl)c1 28820569 QJYSVKVIDJLNSU-LLVKDONJSA-N 383.300 4.384 0 1 GIAF Cc1cccc(CN2C(=O)COc3ccc(/C=C4\SC(=S)N=C4O)cc32)c1 28883290 AOZDBSCGMALDFO-MFOYZWKCSA-N 396.493 4.250 0 1 GIAF COc1cccc(C(=O)CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c1 35049333 LCTCUHAHFCFCBG-UHFFFAOYSA-N 387.907 4.295 0 1 GIAF in-vivo O=C(O)c1cc(Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)ccc1O 40379412 ZCTZBIJZXAFWEW-UHFFFAOYSA-N 381.335 4.371 0 1 GIAF Cc1cc(C(=O)N[C@H](CN)c2ccccc2)sc1-c1ccnc2[nH]ccc12 40401554 JBCQEESWZIZBCS-QGZVFWFLSA-N 376.485 4.030 0 1 GIAF Cc1ccc(NC(=O)c2ccc(N)cc2)cc1Nc1nc(-c2cccnc2)c[nH]1 40898405 RGUKLBRRWMZXQX-UHFFFAOYSA-N 384.443 4.358 0 1 GIAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](C)[C@H](C)C2 68590523 VEQBQKQQMKJDES-VXGBXAGGSA-N 386.444 4.412 0 1 GIAF biogenic c1cc(-c2nn([C@@H]3CCCNCC3)cc2-c2ccc3c(c2)Cc2c[nH]nc2-3)ccn1 71333696 OQMXCWUUGNUFSO-HXUWFJFHSA-N 396.498 4.221 0 1 GIAF CC1(C)Oc2ncnc(N)c2N[C@@H]1c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 253804845 HFRMBAKVLJMJNB-PJIJBLCYSA-N 396.491 4.132 0 1 GIAF Clc1cnc(Br)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)n1 587005904 YVBCSKNTKDYGSE-UHFFFAOYSA-N 379.432 4.138 0 1 GIAF COc1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cn1 587026165 KFYYEZKIJLDENX-JLSDUUJJSA-N 396.516 4.103 0 1 GIAF O=C1c2ccc(O)cc2O[C@](CO)(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587334905 MZHBIQPSMSUMCP-GGAORHGYSA-N 396.389 4.003 0 1 GIAF CCCCc1cc2c(O)nc(O)nc2nc1-c1ccc(OC(F)(F)F)cc1 587367975 DRXQMNLYFVXXQR-UHFFFAOYSA-N 379.338 4.344 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(I)s1)O2 587385690 FYJBOIRSZPEUSU-OAHLLOKOSA-N 399.253 4.124 0 1 GIAF COc1cc2c3c(c1)O[C@@](CCF)(c1ccccc1Br)[C@@H](C2)C3=O 587424676 RUHUFVHPNZGDKU-LIRRHRJNSA-N 391.236 4.460 0 1 GIAF CCOC(=O)[C@@]1(c2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503306 GENMHCRRJWGLQV-QFIPXVFZSA-N 386.394 4.267 0 1 GIAF C[C@]1(c2c(N)cc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557191 MIUONSJIFQCPJC-GHTZIAJQSA-N 383.350 4.130 0 1 GIAF COCCOc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593467 DPONDOFEVPSFEQ-NFBKMPQASA-N 392.407 4.120 0 1 GIAF COc1ccc2c(c1)[C@]1(CCN2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596310 QSCSDQVVAPXYMX-REWPJTCUSA-N 389.407 4.074 0 1 GIAF COCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599612 YHGHSDPEHYOYBW-NFBKMPQASA-N 392.407 4.120 0 1 GIAF CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587650184 YWZBTPSIVJMYIL-UHFFFAOYSA-N 377.849 4.069 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(Br)nc1 587657556 XNMQMYFTUISQIP-UHFFFAOYSA-N 396.219 4.349 0 1 GIAF Cc1ccc2nc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cn2c1 587775497 RDBNJNXMUWFLGS-CWTRNNRKSA-N 388.284 4.342 0 1 GIAF COC(=O)C[C@]1(C2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587808515 OGJWRAOBNBCBPX-ADLMAVQZSA-N 384.289 4.071 0 1 GIAF CC(=O)Nc1ccsc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587843198 HFHNLMCQKCMKKG-AYVTZFPOSA-N 383.286 4.232 0 1 GIAF COc1ccc([C@@H](O)[C@H](C)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 587934711 FGVYJXKPQKLKEM-RTHLEPHNSA-N 396.672 4.220 0 1 GIAF COc1cc(-c2ccccc2)c(OC)n1-c1nc(N2CCCCC2)ncc1F 587945589 OLHPIDXMXJJSTG-UHFFFAOYSA-N 382.439 4.081 0 1 GIAF Cc1cc(Nc2ccccc2)n2nc(SCc3nc4ccccc4[nH]3)nc2n1 1772622316 RPUPMJSUYBHUSL-UHFFFAOYSA-N 387.472 4.345 0 1 GIAF NC(=O)[C@@H](c1ccccc1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1 1772645648 ZLOKPSMKMZEAPC-HXUWFJFHSA-N 378.859 4.209 0 1 GIAF Nc1[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(O)cc1 1857584217 MDKQKDVKGMJUTA-UHFFFAOYSA-N 394.434 4.311 0 1 GIAF COc1ccccc1C(=O)c1sc(=N)[nH]c1-c1cccc(C(F)(F)F)c1 1857759598 OQMPDUPUJUKYIV-UHFFFAOYSA-N 378.375 4.481 0 1 GIAF CC(=CCCc1ccoc1)CC=C[C@](C)(O)CC[C@H](O)[C@]1(C)CCC(=O)O1 2356442664 LMCVGYPFPPMZGR-BVSLBCMMSA-N 376.493 4.093 0 1 GIAF CC1(C)O[C@@]2([C@@H]3CCC[C@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@](N)(CCO)C2 2356771464 YENLEYLOULYBJW-CLODTNMZSA-N 387.564 4.169 0 1 GIAF CCCCN1CC(C)(C)[C@H](CC(=O)Nc2ccc(Br)cc2)C1=O 61923187 PJZSEUNFZVMRGE-OAHLLOKOSA-N 381.314 4.062 0 3 GIAF CC(C)c1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 767296 MTTCAPAGMMZOBV-UNMCSNQZSA-N 394.515 4.037 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 5649661 GNWBLLYJQXKPIP-WJZSUSRFSA-N 388.596 4.334 0 1 GIAF CN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2ccsc2)[C@H]1c1cccs1 6875505 YYPPCBHVBLGAOZ-RTBURBONSA-N 396.537 4.079 0 1 GIAF Cc1ccc(NC(=O)CN2C(=O)c3cccnc3Oc3ccc(Cl)cc32)cc1 6878139 XNGDKBLKXIZULK-UHFFFAOYSA-N 393.830 4.435 0 1 GIAF CCCn1c(-c2ccc(F)cc2)nc2c(NCCCCN(C)C)nc(C)nc21 7991786 WHXNJEARBFOEJJ-UHFFFAOYSA-N 384.503 4.105 0 1 GIAF Cc1ccc2nc(N3CCC(N[C@@H](C)Cc4cccs4)CC3)nc(C)c2c1 12097147 FJKZOYWUOWSTCH-INIZCTEOSA-N 380.561 4.498 0 1 GIAF CC(=O)Nc1ccc(CNC(=S)NCc2ccc(C(C)(C)C)cc2)cc1F 13672873 JSJVLCZZAKNZLW-UHFFFAOYSA-N 387.524 4.246 0 1 GIAF Cc1c(C(=O)NC2CCCCC2)nn(-c2ccc(F)cc2F)c1-n1cccc1 14975716 OJPIGYYTBXYYFN-UHFFFAOYSA-N 384.430 4.312 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1ccc([C@H](C)N3CCCCC3)cc1)C2 28344380 UUCAJFDACITQCR-QMHKHESXSA-N 395.499 4.437 0 1 GIAF CCCC(=O)Nc1c(-c2cc(OC)c(OC)c(OC)c2)c2ccccc2oc1=O 29125611 AUXFBRAIIXKCQH-UHFFFAOYSA-N 397.427 4.224 0 1 GIAF COc1cc([C@@H]2[C@H]3C=CC=C4CC=CC(=C43)[C@@H]3CCC(=O)N32)cc(OC)c1OC 31897480 UZISGKOETGDJKE-IUKKYPGJSA-N 391.467 4.127 0 1 GIAF C[C@H](CCC(=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@@]21C 33820737 LKUNZSUKADSCME-IJJHXVMPSA-N 392.580 4.478 0 1 GIAF COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)c(C(C)=O)cc1OC 40979688 UTVUFIKNNJRXIT-UHFFFAOYSA-N 383.400 4.264 0 1 GIAF C[C@H](OC[C@H](O)CNC(C)(C)Cc1ccc2ccccc2c1)c1ccccn1 49050213 NPVKQRBIYIVQQU-PGRDOPGGSA-N 378.516 4.284 0 1 GIAF O=C1CCCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1 103242293 YEIQCMOYDGMRQH-UHFFFAOYSA-N 391.515 4.344 0 1 GIAF COC(=O)C[C@H]1[C@@H](Cc2ccccc2)C[C@@H]2[C@H](Cc3ccccc3)C[C@@H]1N2C 103253940 XXQUTIIQIQULCG-QOXFPCGXSA-N 377.528 4.360 0 1 GIAF CC(=O)OCC[C@@H](C)CC[C@@H]1[C@@](C)(O)CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]12C 238781655 FMKVBEYZAOIOFC-DOWBZYPLSA-N 382.541 4.414 0 1 GIAF CCOc1ccccc1N1C(=O)[C@@H]2[C@H]3C(Cl)=C[C@@H](c4ccccc43)[C@H]2C1=O 252593063 BIUBPNDUNFZVLJ-NDSDBLNTSA-N 379.843 4.208 0 1 GIAF CC(=O)O[C@@H]1C=C(C)[C@H](OC(C)=O)CC=C(C)CC[C@H]2[C@H](C=CC1=O)C2(C)C 254201732 VRGIDOAPYHTMND-SEIRJHJZSA-N 388.504 4.324 0 1 GIAF COC(=O)c1cc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2c(F)c1Nc1ccccc1 586910064 NSHDIEDRHXYCGT-CYBMUJFWSA-N 397.406 4.041 0 1 GIAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586961377 HXTJZHCYBGSPFV-ZCFIWIBFSA-N 387.412 4.106 0 1 GIAF CCOc1ccccc1[C@@](N)(c1nc2ccc(SC)cc2[nH]1)C(F)(F)F 587091236 CIMSJIFRIQCCHU-QGZVFWFLSA-N 381.423 4.448 0 1 GIAF Nc1cc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2cc1N 587138252 FADYNTHGLBYTCD-UHFFFAOYSA-N 380.354 4.038 0 1 GIAF CCCOc1cc2nc(Cc3cc(N)ccc3F)[nH]c2cc1Br 587140593 DJBIXSSFSQADNN-UHFFFAOYSA-N 378.245 4.426 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2c1 587241391 AFEAZTNWNRJIFA-UHFFFAOYSA-N 385.489 4.008 0 1 GIAF COc1ccc2c(c1Br)[C@]1(CC2)CC(=O)c2cc(C)cc(N)c2O1 587369980 ACYWAZHPLQCMAZ-IBGZPJMESA-N 388.261 4.155 0 1 GIAF COc1cc2c(cc1Br)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587370072 BEWFZBCRYWZDAO-IBGZPJMESA-N 388.261 4.155 0 1 GIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(C(F)(F)F)ccc12 587505478 HHRRKKMEDNNUKD-FQEVSTJZSA-N 387.357 4.397 0 1 GIAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc1-c1ccccc1 587575951 HARDWAODGSKDBU-OFNKIYASSA-N 398.418 4.496 0 1 GIAF Cn1nccc1[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581756 MHHQWOUTBWUBEC-ZFUCPZCZSA-N 390.439 4.184 0 1 GIAF C[C@H](Oc1ccccc1O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597154 SXAGNXAZAFGUJM-WRPOGVCQSA-N 392.407 4.286 0 1 GIAF CC(C)c1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2ccc(S(C)(=O)=O)cc12 587649776 BNGMFCICHJMMCY-LBPRGKRZSA-N 380.510 4.281 0 1 GIAF O=C(Cc1ccc(F)cc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658123 GWRQMKSPYODSLT-UHFFFAOYSA-N 376.362 4.225 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]2NC(=O)OC(C)(C)C)N1 587742079 JFJMUEDQFWAQPI-XODWSEBVSA-N 399.304 4.005 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)CC(C(=O)O)C3)N1 587829862 YOIXEEWQTFQDBI-GXMYENCNSA-N 396.300 4.373 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(Cl)s1 587869296 GIIPRSONVQMPEC-UHFFFAOYSA-N 387.770 4.376 0 1 GIAF CCC(=O)[C@H](CCC(=O)OC)[C@]1(CC)NCCc2c(Cl)cc(Cl)cc21 963119722 HQGNANSKDWMQKD-LIRRHRJNSA-N 386.319 4.293 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]21CN(C(=O)OC(C)(C)C)CCC[C@H]1F 963271266 TWYAXJKKCOPZOD-OXQOHEQNSA-N 398.906 4.059 0 1 GIAF CCNc1n[nH]c2cc(NC(=O)N[C@H](C)c3ccc(F)c(Cl)c3)ncc12 1772627716 KXOWMEZWWNINAP-SECBINFHSA-N 376.823 4.065 0 1 GIAF COc1cc2c(c(OC)c1OC)-c1cc3cc([C@H](C)O)oc3cc1[C@@H](O)CC2 1772636974 OANSUPXVOFHHME-ZBEGNZNMSA-N 384.428 4.159 0 1 GIAF COc1ccc(OC)c([C@@H]2C=C(c3cccc4ccccc34)N=C3NN=CN32)c1 1857534535 YGEHCALDWKPUNI-NRFANRHFSA-N 384.439 4.157 0 1 GIAF CC=C[C@@H]1C[C@@H]1C1=C(Br)[C@@H]2O[C@@H](C=C=CBr)C[C@H]2O1 2356585847 DSVLSFOHBJOXOY-HDRKYONCSA-N 388.099 4.425 0 1 GIAF CC(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](OC(=O)C(C)C)c3c(C)coc3C(=O)[C@H]12 2356745080 BSVVKCYFWUIZLC-GQYYFDSYSA-N 376.449 4.009 0 1 GIAF C[C@]1(C(=O)Nc2cccc3cccnc23)CCN1Cc1ccccc1OC(F)F 61906513 GSVKXVKVXDFEBG-JOCHJYFZSA-N 397.425 4.439 0 3 GIAF Cc1ccc(CN2C(=O)[C@@H](CC(C)C)Nc3ncnc(N4CCCCC4)c32)cc1 72137609 XUOHWQMJMFPBCO-LJQANCHMSA-N 393.535 4.149 0 3 GIAF C[C@H]1CN(CC(=O)NC2c3ccccc3-c3ccccc32)Cc2ccccc2O1 12470094 CBYZRYDHTVSNOS-KRWDZBQOSA-N 384.479 4.156 0 1 GIAF CN(CCCOc1ccc(Oc2ccc(-c3ncco3)cc2)cc1)CCC(=O)O 13475301 QEYAIZBYWNAIPL-UHFFFAOYSA-N 396.443 4.309 0 1 GIAF CCOc1ccccc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCCO1 13579721 WWZLRPNFHINDPG-LJQANCHMSA-N 375.896 4.409 0 1 GIAF CSC[C@@H](c1nccc2c1[nH]c1ccc(O)c(Br)c12)N(C)C 15209769 UXXSAQIRPRDAQT-NSHDSACASA-N 380.311 4.150 0 1 GIAF biogenic CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CCCO)cc2)nc(N)n1 26391190 BUOALGQXEKDQOY-UHFFFAOYSA-N 398.894 4.446 0 1 GIAF CCCCOc1ccc(C(=O)n2c(C)c(CC(=O)O)c3cc(OC)ccc32)cc1 28373965 ROFCWYRMFXUFSI-UHFFFAOYSA-N 395.455 4.453 0 1 GIAF CC(C)(C)[C@H](O)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 28572285 XKFYPIKUIRIHMW-VQTJNVASSA-N 387.426 4.044 0 1 GIAF O=C(Nc1ccc2ccccc2c1)[C@H](c1c[nH]c2ccccc12)P(=O)(O)O 28604286 BTRJCBFYYHFVKD-IBGZPJMESA-N 380.340 4.179 0 1 GIAF COc1cc2c(c(O)c1OC)-c1c(cc(OC)c(OC)c1O)C[C@@H](C)[C@@H](C)C2 34733704 ZMOXXNHDVIGEAX-TXEJJXNPSA-N 388.460 4.170 0 1 GIAF biogenic CN(C)Cc1cc(C(=O)N(C)C)ccc1Oc1ccc(OC(F)(F)F)cc1 40424889 WXULFWHQRUUESN-UHFFFAOYSA-N 382.382 4.141 0 1 GIAF CCN(C)C(=O)c1ccc([C@@]2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1 45347187 RXKVSPJEZMPYDL-RUZDIDTESA-N 392.543 4.276 0 1 GIAF CCOC(=O)N[C@@H](OC(=O)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 68586550 JQTVATRFBHPSOH-VIFPVBQESA-N 390.050 4.331 0 1 GIAF biogenic CC[C@H](C)NC(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1 82133396 CPEHUPONHMEKIE-INIZCTEOSA-N 392.478 4.466 0 1 GIAF O=C(C[C@H](c1ccc(Cl)cc1)C(C(=O)O)C(=O)O)c1ccc(Cl)cc1 95580231 XXNYRTJHKXLHJA-CQSZACIVSA-N 381.211 4.135 0 1 GIAF C[C@@H](O)c1ccc(-c2ccc3[nH]c4c(c3c2)-c2nc(N)ncc2CCC4)s1 95588714 GCMZPZNYQDSUCB-LLVKDONJSA-N 376.485 4.478 0 1 GIAF CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)P(=O)(Oc1ccccc1)Oc1ccccc1 96167872 PTFZMXAQQHCHMG-FCEWJHQRSA-N 390.420 4.173 0 1 GIAF Cc1ccc(-c2cc(C(=O)N[C@@H](C)CN(C)C)cc(-c3nccs3)c2)cc1 113768447 GUVOYIJXBUCRQV-INIZCTEOSA-N 379.529 4.465 0 1 GIAF COc1ccc(C)c2sc(NC(=O)c3cccc(-n4c(O)ccc4O)c3)nc12 169689838 BTGHMCCXUHBABV-UHFFFAOYSA-N 395.440 4.068 0 1 GIAF COC(=O)c1cc2nc([C@@H]3CC(=O)OC3(C)C)[nH]c2c(F)c1Nc1ccccc1 586910069 NSHDIEDRHXYCGT-ZDUSSCGKSA-N 397.406 4.041 0 1 GIAF Cc1nc(COc2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)cs1 587020174 FPBZXJXOBWJAFW-UHFFFAOYSA-N 379.441 4.345 0 1 GIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccnc(Cl)c2[nH]1 587113129 OJFXSCBAJUOHQR-MRXNPFEDSA-N 382.773 4.030 0 1 GIAF O=C1C[C@H](c2nc3ccc4c(c3[nH]2)CCCC4)CN1Cc1ccc(F)cc1F 587147952 DMWFAJBBXAZIPX-HNNXBMFYSA-N 381.426 4.236 0 1 GIAF Fc1cccc(Cn2nnc(-c3nc4cnc5ccccc5c4[nH]3)c2Cl)c1 587161333 MTNNOMHNUXYUAA-UHFFFAOYSA-N 378.798 4.210 0 1 GIAF O=C(Cc1ccccc1)NCCc1nc2ccc(OCc3ccccc3)cc2[nH]1 587227904 AWEARXIBTNFQOV-UHFFFAOYSA-N 385.467 4.043 0 1 GIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1c(C(F)(F)F)cccc12 587508359 OQYPZSHESDSXJK-FQEVSTJZSA-N 387.357 4.397 0 1 GIAF COc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587555597 HCUPKZHSSPZSGS-LAUBAEHRSA-N 384.334 4.382 0 1 GIAF CC[C@]1(CNC(=O)OC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568777 DPFSNVQTEACHLL-HTAPYJJXSA-N 399.443 4.027 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1cc(F)ccc12 587569832 MIADOIFWBGFAJK-UGKGYDQZSA-N 378.355 4.171 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cn1ccnc1)c1ccccc1 587576315 IOSDMBHQPGTWON-ZJSXRUAMSA-N 398.418 4.146 0 1 GIAF CCOCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587589842 AWMWILBJEVDHKP-NZQKXSOJSA-N 392.407 4.468 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)cnn2CCF)N1 587716808 JZOZHEMBOYULOV-RMLUDKJBSA-N 390.659 4.031 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(C(=O)O)c(F)c2)N1 587725945 TXVAARALEAYMCN-LZVRBXCZSA-N 396.231 4.223 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(C)(C)O)N1 587825001 FIFHUYQAVMUNNR-CWTRNNRKSA-N 378.285 4.137 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1CC=C[C@H]2C[C@@H](C(=O)O)C1 587826749 LPYPUSHCFLLBRK-SETQXRGISA-N 394.284 4.005 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(O)nc2Cl)N1 587853128 PABGOBBWBQYZBX-GPXNAGAYSA-N 377.666 4.027 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nsnc3c2)N1 587858858 UTNBKVYOASLLRK-VPTHRUTESA-N 378.270 4.217 0 1 GIAF O=C(Nc1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12)c1ccco1 653767664 YEICTKKFFRIURH-UHFFFAOYSA-N 387.424 4.389 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1cc(CN3CCCC3)cs1)N(C)[C@H](C)C2 962638256 PFYIARLXOOMULJ-IVZQSRNASA-N 386.561 4.327 0 1 GIAF CCOC(=O)C(C)(C)[C@@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962643040 OXRUUKLUYXDYLX-SQJMNOBHSA-N 392.543 4.238 0 1 GIAF Cc1cccc(Nc2ccnc(Nc3ccc(N4CCN(C)CC4)c(C)c3)n2)c1 1772585217 LJASUVQOUSTVGF-UHFFFAOYSA-N 388.519 4.332 0 1 GIAF Cc1[nH]nc(-c2ccccn2)c1-c1ccc2c(NC(=O)OCCF)noc2c1 1772586304 QJLSBJKKLNUNFN-UHFFFAOYSA-N 381.367 4.106 0 1 GIAF O=C(/C=C/c1ccccc1)OCc1cn(Cc2cc(Cl)ccc2Cl)nn1 1857540611 XYILEHVNBCAZDS-RMKNXTFCSA-N 388.254 4.390 0 1 GIAF Cc1ccc2nc(N3CCCc4ccc(F)cc4C3)cc(NC[C@H](C)N)c2c1 1857747978 MTAYJESGAUBTAR-INIZCTEOSA-N 378.495 4.394 0 1 GIAF CCCC[C@H](C)C(=O)CC[C@H]1[C@@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccccc1 2356348067 XVOWNKMWUOVSAO-PAMRQWRISA-N 386.488 4.339 0 1 GIAF CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nc(-c3ccc(C)o3)no2)C1 1364803 IEJLOKQKPHGHGT-OAHLLOKOSA-N 396.447 4.448 0 3 GIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCN(CC)CC 4213532 XKGDQYSIXZJRGE-RBUKOAKNSA-N 379.570 4.220 0 1 GIAF Cc1c(CNc2cc(Cl)c(Cl)c(Cl)c2)cnc2nc(N)nc(N)c12 5891453 CWTSTOMTDDHBJU-UHFFFAOYSA-N 383.670 4.070 0 1 GIAF CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)n(CCC)c1=O 13536209 URUGBWSVGIFJOF-UHFFFAOYSA-N 387.524 4.272 0 1 GIAF CCc1cccc(N(C)C(=N)Nc2ccccc2I)c1 13776045 FPFYWKBRPHDBRR-UHFFFAOYSA-N 379.245 4.337 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)cc1 29403934 GXNAENPMPUDFOF-UHFFFAOYSA-N 399.369 4.069 0 1 GIAF N=c1sc(-c2cnccn2)nn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 29464134 RNBIESKRALQLKH-UHFFFAOYSA-N 392.193 4.196 0 1 GIAF Cc1ccc2c(c1)C(=O)N([C@H](C)COC(=S)Nc1ccc(Cl)cc1)C2=O 40898583 XZDSYLLRHGIRTG-GFCCVEGCSA-N 388.876 4.047 0 1 GIAF CCNc1nc(NCCCN(C)c2ccccc2)nc2cc(OC)c(OC)cc12 82137878 HOFIOBPIGCCWQF-UHFFFAOYSA-N 395.507 4.017 0 1 GIAF CCOC(=O)c1cccc(-n2cc(-c3cc4ccccc4oc3=O)[nH]c2=S)c1 82151305 DYILTSUXJXXNBE-UHFFFAOYSA-N 392.436 4.485 0 1 GIAF C[C@H](Cc1nc2c(NCC3CC3)ncnc2n1C[C@H]1CCCO1)c1ccccc1 82221868 DBHGQYXXFSCTDI-VQIMIIECSA-N 391.519 4.173 0 1 GIAF O=C(O)C1=CNC=C(C(=O)OC/C=C/c2ccccc2)[C@@H]1c1cccc(Cl)c1 84654933 ZANHNVIIYGGYGW-MUPIXQSSSA-N 395.842 4.136 0 1 GIAF Cc1ccc([C@@](SCCN)(c2ccccc2)c2cccc(C(N)=O)c2)cc1 95581086 LGPILDOYGVIDKB-QHCPKHFHSA-N 376.525 4.078 0 1 GIAF CCNC(=O)c1ccc(C(=C2C[C@H]3CC[C@H](C2)N3)c2cccc(OC)c2)cc1 100815752 YKYYEYSPBCTWSR-NHCUHLMSSA-N 376.500 4.161 0 1 GIAF CC1=CN[C@H]2C(NCCN3CCCCC3)=Nc3cc(-c4ccccc4)sc3N12 101442102 DRCPFHFXRDRXPZ-OAQYLSRUSA-N 393.560 4.131 0 1 GIAF CC(C)(C)C1=NN(c2ccc(S(=O)(=O)O)cc2)[C@H](c2ccc(F)cc2)C1 218487863 XYSLSXGNOVODGL-KRWDZBQOSA-N 376.453 4.426 0 1 GIAF Cc1nc(Nc2ccc(C(C)C)cc2)nc(S[C@H](C(N)=O)c2ccccc2)n1 299821478 KNFSKHFFBITTRN-SFHVURJKSA-N 393.516 4.366 0 1 GIAF Cc1ccc2nc(CCC[S@@](=O)c3ccc(Br)cc3)[nH]c2c1 586958755 IECCCAWGYTXHON-JOCHJYFZSA-N 377.307 4.374 0 1 GIAF O=Cc1cc(Br)cc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 586983026 TYXCTKDMRYBLPB-UHFFFAOYSA-N 381.132 4.126 0 1 GIAF O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)c1coc2ccc(Cl)cc12 587277935 BKNZSMUEKDLMHO-UHFFFAOYSA-N 389.860 4.102 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCCC(=O)O)cc1)CC2=O 587485427 WJAKRPSTBZHULT-QHCPKHFHSA-N 398.455 4.469 0 1 GIAF C[C@@]1(c2c(N)cc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557193 MIUONSJIFQCPJC-RXVVDRJESA-N 383.350 4.130 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(F)cccc32)N1 587737172 CXNUOSCPLFCAEW-XTZNXHDOSA-N 380.232 4.288 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cccc(F)c32)N1 587738402 ODISUIPDEFYFDV-XTZNXHDOSA-N 380.232 4.288 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccn2)N1 587753444 IULNJZXQZISCPG-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3nc2O)N1 587780136 YSCPFWPNHJKEOF-MLCYQJTMSA-N 387.252 4.466 0 1 GIAF COc1ccc2[nH]c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2n1 587802360 LRTZDVWTDNYFMD-LZVRBXCZSA-N 390.256 4.097 0 1 GIAF Cc1c(F)ccc2c1[C@](C)(c1ccccc1I)NCC2 962090177 GZQHGNOFNVSXBB-KRWDZBQOSA-N 381.232 4.148 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc(OCC(F)(F)F)c(F)c1 963609120 LUEBZZLHNFZEEB-JEOXALJRSA-N 399.384 4.408 0 1 GIAF O=C(NCc1cccc2ccccc12)c1cc2c(OC3CCNCC3)cccc2[nH]1 1857536188 BFGCVECYDDLBJN-UHFFFAOYSA-N 399.494 4.382 0 1 GIAF Cc1ccc(S(=O)(=O)N[C@@H](CCc2ccccc2)CC(=O)C(C)(C)C)cc1 3965632 KRRAOBCOGQCLCS-IBGZPJMESA-N 387.545 4.280 0 3 GIAF Cc1onc(-c2ccc(Cl)cc2)c1-c1ccn(S(=O)(=O)c2ccccc2)n1 199256846 HUCOMTTZPXOPKC-UHFFFAOYSA-N 399.859 4.404 0 3 GIAF CCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(OC)c(OC)c1OC 2483324 RNROSRRCIFXPIP-UHFFFAOYSA-N 390.480 4.195 0 1 GIAF CCc1cc(O)nc(SCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)n1 8021710 OJJKFEWODFVDJX-UHFFFAOYSA-N 390.468 4.144 0 1 GIAF CCCCNc1nc(Nc2cc(Cl)ccc2OC)nc(N2CCCC2)n1 14968024 WFRPIZTYTLAABQ-UHFFFAOYSA-N 376.892 4.089 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 27887277 GNWBLLYJQXKPIP-DNMTXPOLSA-N 388.596 4.334 0 1 GIAF c1ccc2nc(CSc3ccc(OCCCc4nnn[nH]4)cc3)ccc2c1 28221923 GYVDSWAEYLAXKJ-UHFFFAOYSA-N 377.473 4.052 0 1 GIAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)OC(C)C)cc21 29477692 JLZHSNMNTNYWDQ-UHFFFAOYSA-N 382.416 4.353 0 1 GIAF CN1C(=O)/C(=C/NCCCNc2ccnc3cc(Cl)ccc23)c2ccccc21 66112608 YQLAWAQPXJDHTO-NBVRZTHBSA-N 392.890 4.297 0 1 GIAF Cc1ccc(O)c([C@H](CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccc3c(c2)OCO3)c1 95593181 FKTXLFGWWUTSQI-ZIFCJYIRSA-N 395.499 4.456 0 1 GIAF O=C(NC1CCC1)C1CCN([C@H](c2ccccc2)c2cc(F)cc(F)c2)CC1 96901807 MTKJEGCDFABAFP-JOCHJYFZSA-N 384.470 4.435 0 1 GIAF O=C1OCC(OCCOC(=O)c2ccc(Cl)cc2Cl)=C1c1ccccc1 96914288 FBJVSHGRNPLSQD-UHFFFAOYSA-N 393.222 4.135 0 1 GIAF Oc1ccc2c3c1O[C@H]1c4[nH]c5ccccc5c4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@@]314 100841402 IYMLCJZYVKMKSH-GKADARQASA-N 398.506 4.458 0 1 GIAF O=C(c1cccc(Cl)c1)N1CC[C@@H]2C[C@@H]1c1cc(N3CCOCC3)ccc12 102913636 BDOJNIJMOPHDOE-QVKFZJNVSA-N 382.891 4.251 0 1 GIAF NC(=O)c1cccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12 113654680 SNTBNZPFJQCQAZ-UHFFFAOYSA-N 382.467 4.105 0 1 GIAF C[C@@H](C(=O)Nc1ccc([C@H]2CCNC2)cc1)c1cccc(OC(F)(F)F)c1 117730623 WVSFHQCMHLKFOQ-CJNGLKHVSA-N 378.394 4.404 0 1 GIAF C[C@@H](c1ccc(Br)cc1)N1CCC2(CCC(C)(O)CC2)OC1=O 146275622 FRSPWWOIEFEAEJ-TZYSRNFLSA-N 382.298 4.416 0 1 GIAF CC1(C)C(=O)N([C@H]2CCc3c(O)cccc32)c2nc(Nc3ccccc3)ncc21 165569889 XLFNLJYGUOLEJS-SFHVURJKSA-N 386.455 4.238 0 1 GIAF COc1ccc2[nH]c(-c3n[nH]c4cc(C(=O)Nc5ccc(O)cc5)ccc34)nc2c1 166860029 WFNAEJCVGGTPJV-UHFFFAOYSA-N 399.410 4.073 0 1 GIAF COc1cc(OC)cc(C(=O)Nc2cc(Nc3cccc(Cl)c3)ncn2)c1 169302754 ACHDMCQIWZSIFW-UHFFFAOYSA-N 384.823 4.143 0 1 GIAF CCCCC[C@](C)(O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCOCC(=O)OCC 169321627 XQUMEOHUDVCAAM-PLTSIUOWSA-N 382.541 4.219 0 1 GIAF CCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC(C)C)c3)C2)cc1 169709450 WFEAIZPJJOHHQJ-LAUBAEHRSA-N 397.519 4.114 0 1 GIAF O=C(O)Cc1c2n(c3cc(F)ccc13)C[C@@H](Nc1nc3cc(F)ccc3o1)CC2 203538929 OZNQWNVQXRTAJO-ZDUSSCGKSA-N 397.381 4.115 0 1 GIAF Cc1ccc(C2=C(C#N)C(=O)N[C@](C)(c3ccc(Br)cc3)C2)cc1 224555338 YZGPANYHTPCLCP-FQEVSTJZSA-N 381.273 4.470 0 1 GIAF O[C@H](c1ccc(Br)cc1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 586996595 HQYWECQPCZBMPE-CYBMUJFWSA-N 387.155 4.306 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587076948 PUNUCIQNJIFRIP-OAHLLOKOSA-N 390.226 4.273 0 1 GIAF Oc1nc(O)c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)[nH]c2n1 587113750 YWMMKOPEGHLONS-UHFFFAOYSA-N 388.305 4.242 0 1 GIAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)n1 587117355 GFISHIXHGGENLN-UHFFFAOYSA-N 376.169 4.406 0 1 GIAF O=C(c1nc2nccc(Br)c2[nH]1)c1c(Cl)ccc(F)c1Cl 587133632 WXDSNCTWRPRRIK-UHFFFAOYSA-N 389.011 4.397 0 1 GIAF Cc1nn(C)c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342262 MMFXASCRXRESGI-UNMCSNQZSA-N 380.419 4.156 0 1 GIAF CCOC(=O)c1sc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2c1N 587411595 DPUAXZOQCQDNAC-MRXNPFEDSA-N 396.468 4.257 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(=N)[nH]c1C(F)(F)F)CC2=O 587464534 SEYFAOLNLFJCBG-MRXNPFEDSA-N 386.395 4.113 0 1 GIAF CCOC(=O)c1nocc1[C@]1(C2CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587522270 DLDNRXJIDQNSIA-JOCHJYFZSA-N 381.428 4.001 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nn(C)cc3c2)N1 587757231 GJFIPYISOSGDAM-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF CCOC(=O)C[C@@]1(C2CCCC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587793410 DYRYCFPIBKSJAE-BUXKBTBVSA-N 398.316 4.461 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c([C@H](C)Cc3ccc(OC)c(OC)c3)nc2c1 587926723 OAJLVGAFPWUFOO-LLVKDONJSA-N 388.851 4.366 0 1 GIAF COc1cc(O)cc(-c2cccc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c2)c1 587931122 FWIRSJKKIMVWHS-UHFFFAOYSA-N 378.359 4.448 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc2c1 587959471 MGJVIPRUXMXTAJ-JSGCOSHPSA-N 385.261 4.458 0 1 GIAF CCCNCCCCOc1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 1772630730 NXZVTXVAPBQKTP-UHFFFAOYSA-N 383.444 4.030 0 1 GIAF O=C(Nc1ccc(-n2cc(CF)nn2)cc1)Nc1ccccc1C(F)(F)F 1911584996 DHOOSJWZEYJNCA-UHFFFAOYSA-N 379.317 4.400 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)O)C1 2356487759 KWOUHQLFAVONNL-RRHVJCNLSA-N 376.537 4.137 0 1 GIAF CC(C)n1cc(CC(=O)N(C)C[C@H]2CCCN3CCCC[C@H]23)c2ccccc21 2356576087 NRICPCTZSCWHAW-DENIHFKCSA-N 381.564 4.488 0 1 GIAF OCCN1N=C2c3cc(Cl)ccc3SC[C@@H]2[C@H]1c1ccc(Cl)cc1 4389052 CIUJUUCPECGPRN-MAUKXSAKSA-N 379.312 4.469 0 1 GIAF CCc1ccc(-c2cc3c(N4CCN(c5ccccc5)CC4)nccn3n2)cc1 8592301 QYTDKPBFXJTQNO-UHFFFAOYSA-N 383.499 4.285 0 1 GIAF CCCC(CCC)N1CCn2c(=O)n(-c3ccc(Cl)cn3)c3nc(C)cc1c32 13652925 UBFNQLMFHYDCIG-UHFFFAOYSA-N 399.926 4.333 0 1 GIAF COc1ccc(-c2oc3c(CC=C(C)C)c(OC)cc(O)c3c(=O)c2O)cc1O 14648327 KONYWOHBNGVQST-UHFFFAOYSA-N 398.411 4.103 0 1 GIAF biogenic Cc1ccc(-c2ncc(C(=O)N[C@H](CO)C(C)C)nc2-c2ccc(C)cc2)cc1 28900300 SZQXUAARXDAMOZ-OAQYLSRUSA-N 389.499 4.174 0 1 GIAF CC(C)(C)NC(=O)c1cccc2c(C(=O)O)c(O)c(-c3ccc(Cl)cc3)nc12 35087005 YVDGPMUCHSIQTK-UHFFFAOYSA-N 398.846 4.487 0 1 GIAF O=C(NC1CC1)c1ccc(F)c(CCc2cnc(Nc3ccccn3)s2)c1 36338812 CMTFYUMOJRAUPR-UHFFFAOYSA-N 382.464 4.098 0 1 GIAF O=C(Nc1ccc([C@H](O)CO)c(C(F)(F)F)c1)c1cc2cc(Cl)ccc2[nH]1 40956502 YWSABJGARDVRIO-MRXNPFEDSA-N 398.768 4.118 0 1 GIAF C[C@@H](C(=O)Nc1ccc2c(c1)OCC2)n1c(-c2cscn2)nc2ccccc21 73293946 WTYJTTONBVBGNX-ZDUSSCGKSA-N 390.468 4.294 0 1 GIAF Nc1noc2cccc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c12 84669358 DEJSKHRXZGOQHG-UHFFFAOYSA-N 387.399 4.306 0 1 GIAF CCCn1cc(C(=O)N[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)c(=O)c2ccc(F)cc21 101541032 LEJQKYQWCJOEBD-LMIFWLCCSA-N 384.495 4.495 0 1 GIAF C[C@@H](C1CCCCC1)N1C(=O)CC(=O)N(CCc2cccc(Cl)c2)C1=O 101678208 YDLHMUFCKVDRIE-AWEZNQCLSA-N 376.884 4.032 0 1 GIAF CCOc1cccc(C2(N3CCN(c4ccncc4)CC3)[C@@H]3CC(C)C[C@H]32)c1 101685271 BMSWYXABHIZRDE-OTUXZAGOSA-N 377.532 4.174 0 1 GIAF Nc1nc(-c2cccc(C(F)(F)F)c2)nc2sc(CN3CC=CC3)cc12 169321253 LXMMASHDRNGXEL-UHFFFAOYSA-N 376.407 4.331 0 1 GIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299881867 OUAMMVPUGWXLEZ-GDAAHCPNSA-N 378.538 4.182 0 1 GIAF OCc1cccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 586894656 AIZKZSQAKWUURK-UHFFFAOYSA-N 382.055 4.247 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(Cl)c(C)cc3[nH]2)cc1 586934925 CZYAVHIVAATHAA-GFCCVEGCSA-N 377.897 4.269 0 1 GIAF COc1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc(Cl)c1O 587046399 ROXOYZITOHGWNH-UHFFFAOYSA-N 380.835 4.429 0 1 GIAF CCOC(=O)c1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167245 JFGAVSUQHBAGRJ-SFHVURJKSA-N 396.422 4.248 0 1 GIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCc1cccnc1 587394819 JXUOCPYSNFUPTO-OAQYLSRUSA-N 390.439 4.266 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc4nc[nH]c4c1)[C@@H](C2)C3=O 587437139 DLAPINISQOSXBX-MHECFPHRSA-N 382.419 4.263 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc3c(c1)OCO3)CC2=O 587484974 PCGKNNMIADZEEM-IBGZPJMESA-N 392.411 4.170 0 1 GIAF O=C1C[C@@](c2ccc(Cl)c(Cl)c2)(C(O)O)Oc2c1ccc1c2CCCC1 587508835 UCGUYSBORISIAS-HXUWFJFHSA-N 393.266 4.044 0 1 GIAF CCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1O 587598726 UUVRXFOOHBGFFZ-XMSQKQJNSA-N 378.380 4.199 0 1 GIAF CCOC(=O)c1c(-c2cc(F)c(F)c(F)c2F)[nH]c2c(C(=O)O)cccc12 587637919 RCHXLRIUIXLCRB-UHFFFAOYSA-N 381.281 4.266 0 1 GIAF COc1cc2c(cc1F)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587729153 GIQNRJRXGGQFPR-GIGQVBGESA-N 394.259 4.460 0 1 GIAF CC(=O)c1cc(N)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587744031 GAUSRAWUZKAHSE-GIGQVBGESA-N 391.284 4.171 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-c3ncon3)c2)N1 587794370 MCILGSSOVKNBTO-DYZYQPBXSA-N 388.240 4.262 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(C(F)(F)F)n1 587868348 KXDJHYLQBSOKIN-UHFFFAOYSA-N 388.271 4.376 0 1 GIAF CC(C)Cc1ccc([C@@H](C)C(=O)NCCCC(=O)Nc2ccccc2N)cc1 653751690 FHXLOCLDXVOGLZ-QGZVFWFLSA-N 381.520 4.106 0 1 GIAF COc1ccc2c(c1OC)[C@@H](c1cc(C)cc(C)c1-n1cccn1)N(C)[C@H](C)C2 962625612 JMAKFIXKAWSUQR-UZUQRXQVSA-N 391.515 4.472 0 1 GIAF CSc1ccccc1[C@]1([C@@H]2CCCC[C@H]2C(=O)O)NCCc2ccc(O)cc21 963340167 FVRSYYMHAVFVRD-PNCHPQGNSA-N 397.540 4.394 0 1 GIAF CNc1ccccc1[C@]1(C(F)(F)F)N[C@H](C)Cc2c(OC)ccc(OC)c21 963609228 MXGYDEDWHDRPOP-BLVKFPJESA-N 380.410 4.086 0 1 GIAF S=C(Nc1ccccc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 1200835055 IGDKHJSNVNQTFU-UHFFFAOYSA-N 382.920 4.407 0 1 GIAF CCCCc1cc2c(=O)c(C(=O)O)c[nH]c2cc1OCCOc1ccccc1 1857541636 JIXCYVZBSQHJJL-UHFFFAOYSA-N 381.428 4.027 0 1 GIAF COC(=O)c1cccc2c1C=C1c3[nH]c4ccccc4c3CCN1[C@H]2CC(C)=O 2356505102 RESGGADDKRTEFU-NRFANRHFSA-N 386.451 4.345 0 1 GIAF CCCC1([C@H](O)CC=C[C@@H]2[C@@H](O)CC(=O)[C@H]2CCCCCCC(=O)O)CCC1 2356656063 PAYNQYXOKJDXAV-JYAXBFRTSA-N 394.552 4.255 0 1 GIAF O=C(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 6049161 JDSFJVPKTNHCTD-BUHFOSPRSA-N 396.443 4.278 0 3 GIAF CCOC(=O)[C@@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2ccccc2C)C1 12713009 CYCCOYJNZJVMBF-XMMPIXPASA-N 395.499 4.032 0 3 GIAF COc1ccc(CN2C(=O)c3ccccc3[C@]2(C)c2nc3ccccc3[nH]2)cc1 95566691 YLDIMGVJZOJCKO-XMMPIXPASA-N 383.451 4.491 0 3 GIAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)NC[C@H](O)c1ccccc1 4295402 UHNNDVPWVOQUTI-PCCBWWKXSA-N 384.476 4.143 0 1 GIAF CCCCOC(=O)c1ccc(NCc2ccc3nc(N)nc(N)c3c2Cl)cc1 27706493 XZVLFGCGDODQSD-UHFFFAOYSA-N 399.882 4.017 0 1 GIAF COc1ccc(Cn2c3c(c4ccccc4c2=O)[C@](C)(O)c2ccccc2-3)cc1 29129333 AOEMGULMSZSEKL-RUZDIDTESA-N 383.447 4.295 0 1 GIAF COc1ccc([C@H]2c3ccc4ccccc4c3O[C@@H]3N=C(S)NC(=N)[C@@H]32)cc1 64448799 KYSIWMFCTDITTB-WFXMLNOXSA-N 389.480 4.181 0 1 GIAF O=S(=O)(c1ccccc1)c1nc2ccccc2nc1Nc1ccc(F)cc1 72126276 SHDDMNBOXWCBSI-UHFFFAOYSA-N 379.416 4.345 0 1 GIAF Cn1c2c(c3cc(S(=O)(=O)c4ccccc4Cl)ccc31)[C@@H]1CC[C@H](C2)N1 73198009 DCRNVIQIHXGGBH-WBMJQRKESA-N 386.904 4.014 0 1 GIAF Cc1ccc(-c2nc(C(=O)NCc3cccc(OC(F)(F)F)c3)co2)cc1 82074733 ZZUMGQDTIJEEQO-UHFFFAOYSA-N 376.334 4.479 0 1 GIAF CCc1ccc(-c2cc(NCc3cc(OC)c(OC)c(OC)c3)ncn2)cc1 82161146 XAFCLAVZDJMJRN-UHFFFAOYSA-N 379.460 4.344 0 1 GIAF CC(C)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1 95579086 JJUAVGQQQZXFID-HXUWFJFHSA-N 390.955 4.377 0 1 GIAF O=C(N1CC[C@]2(c3c[nH]c4ncccc34)C[C@@H]12)C1(c2ccc(Cl)cc2)CC1 100617152 KXCFQRTUSWKVDX-XMSQKQJNSA-N 377.875 4.191 0 1 GIAF CN(CCCN1CCN(c2cccc3ccccc23)CC1)c1cccc(O)c1 169339910 FCYNDYFSJFFFHC-UHFFFAOYSA-N 375.516 4.194 0 1 GIAF CC1(C)CN(C(=O)c2ccc(F)cc2)Cc2oc(COc3ccccc3)nc21 473096824 AMWBCTJDWPRVAG-UHFFFAOYSA-N 380.419 4.326 0 1 GIAF Brc1ccc(NCCc2nc3cncc(Br)c3[nH]2)cc1 586995605 LDBKUNAXLINUTG-UHFFFAOYSA-N 396.086 4.138 0 1 GIAF Cc1csc([C@](O)(Cc2nc3cc(Cl)cc(F)c3[nH]2)C(F)(F)F)n1 587094034 IKFQSBLQRUCDHC-CYBMUJFWSA-N 379.766 4.113 0 1 GIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C)cc(F)c2[nH]1 587112290 HLHLEIYZCUNZMR-SFHVURJKSA-N 379.357 4.429 0 1 GIAF COc1cc(OC)c2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2c1 587127522 VFFNGGITLFOESX-UHFFFAOYSA-N 378.310 4.022 0 1 GIAF Fc1cc(Br)cnc1-c1nc2ccc(F)c(Br)c2[nH]1 587156194 YWTDXSYHUQNBAG-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF O=C(/C=C\c1nc2cc(F)cc(Br)c2[nH]1)Nc1ccc(F)cc1 587166240 APPVCKOXKDEILT-WAYWQWQTSA-N 378.176 4.256 0 1 GIAF CN1CCN(c2ccc3nc(-c4[nH]c5ccc(F)cc5c4Cl)[nH]c3c2)CC1 587174347 HNJKGCGQZILROE-UHFFFAOYSA-N 383.858 4.256 0 1 GIAF Clc1cncc2nc(/C=C\c3cccc(I)c3)[nH]c12 587184177 PJRREABHYJBUJC-PLNGDYQASA-N 381.604 4.386 0 1 GIAF CN[C@H](c1cccnc1)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587222944 MGCYXNDROJOAJZ-CYBMUJFWSA-N 385.187 4.048 0 1 GIAF C[C@@]1(c2cccc(CO)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352720 LYFJMYCQPKRTQL-GGAORHGYSA-N 378.399 4.298 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(F)ccc(F)c21 587385651 FHANKWFAKZIYMQ-HSZRJFAPSA-N 391.373 4.309 0 1 GIAF COc1cc2c3c(c1)O[C@@](/C=C\N(C)C)(c1ccc(Cl)s1)[C@@H](C2)C3=O 587451526 PGFNGAFIWZVLLR-PCLZLPMQSA-N 375.877 4.128 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cnc(OC)c1OC)CC2=O 587462530 PCQOBUJAHJZIDM-HNNXBMFYSA-N 377.824 4.117 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cc(C)ccc1C)CC2=O 587482297 NOPZBSGRRCDPPY-QHCPKHFHSA-N 382.456 4.385 0 1 GIAF O=C1C[C@]2(CCNc3nc(Br)ccc32)Oc2c1ccc1c2CCCC1 587495903 GSONVTKRUKQVIV-FQEVSTJZSA-N 399.288 4.399 0 1 GIAF C[C@@H]1CN(Cc2ccccn2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517560 PQMRUDFMIAEZMU-OSPHWJPCSA-N 376.500 4.206 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2C(=O)C(F)(F)F)N1 587709176 JCBISOOOZOGLBA-OWCSCZDJSA-N 394.206 4.249 0 1 GIAF COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1O 587716865 KAKZAVUKMIKQCV-LZVRBXCZSA-N 398.247 4.239 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(c3ccccc3)C2)N1 587770743 TWTDIZRXDYBADJ-BFUOFWGJSA-N 375.285 4.228 0 1 GIAF CCOC(=O)[C@]1(CC(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792156 APCBKQZFDGLQAQ-ADLMAVQZSA-N 386.305 4.317 0 1 GIAF CC(=O)COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587796314 UBFVWCHVHJJHNU-NSPYISDASA-N 392.268 4.180 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccn(CC)n1 587859598 GBYUMEDQFMOBQC-UHFFFAOYSA-N 379.247 4.161 0 1 GIAF CC(C)(C)OC(=O)N1CCC(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)CC1 587874783 BXHVCBGIWSRCKJ-UHFFFAOYSA-N 387.411 4.082 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2csc(Cc3ccc(Cl)cc3)n2)cc1 587923757 LIMVVDSRCJJNRE-UHFFFAOYSA-N 378.906 4.426 0 1 GIAF COc1ccc(/C=C/Cc2nc3cc(Br)c(C)nc3[nH]2)c(OC)c1 587929052 LASAHJVPNYLKST-SNAWJCMRSA-N 388.265 4.302 0 1 GIAF CC1(C)Cc2cnn(-c3ccc(Cn4cncn4)cc3)c2-c2[nH]c3ccccc3c21 621485936 UYMBEEKCVSQHFI-UHFFFAOYSA-N 394.482 4.494 0 1 GIAF Cc1ccc2c(c1)C(=O)[C@H]([C@H]1c3ccsc3CCN1Cc1ccco1)C(=O)O2 962699741 AMAVBPVMLUWERD-VQTJNVASSA-N 393.464 4.167 0 1 GIAF CCOC(=O)[C@@H]1CCc2ccoc2[C@]12N[C@H](CC)Cc1c2[nH]c2ccccc12 962958343 PSFRKQPBRFWCFT-TWWFPWMWSA-N 378.472 4.054 0 1 GIAF Cc1cccc([C@@]2(c3cc(F)cc(F)c3)NCCc3nc4ccccn4c32)c1 962989341 ZRNOETYGARMOBZ-QHCPKHFHSA-N 375.422 4.359 0 1 GIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cnc3ccoc3c2)N1 963177526 VFJVBRNYFATWMI-WBMJQRKESA-N 396.752 4.188 0 1 GIAF CCN(CC)Cc1cc2cn(S(=O)(=O)c3ccccc3)c3cccc(o1)c23 1772590936 YPUNCYRZMZDDIB-UHFFFAOYSA-N 382.485 4.466 0 1 GIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@@H]12)[C@H]1O[C@H]3C[C@@H]1C(=O)O 2356798136 OXLSIZDDPLIXST-IVYYLFCJSA-N 388.504 4.262 0 1 GIAF CC1(C)C(=O)C=C[C@@]2(C)[C@@H]1C[C@@H](O)[C@@H]1[C@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@]132 13298245 KYAONONRIXUXQW-GVLFQUJDSA-N 396.527 4.489 0 1 GIAF in-vitro COC(=O)[C@@H]1[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@H]1O2 13764456 IXQQMWIAXLMOHP-NMLBUPMWSA-N 388.410 4.180 0 1 GIAF COc1c(O)c(CC=C(C)C)cc2c1OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4 14613153 DFYMDQGSLUSMGL-MGPUTAFESA-N 382.412 4.248 0 1 GIAF biogenic O=C1C[C@@H]2CCN(CC3CCCCC3)C[C@@H]2CCN1Cc1ccc2c(c1)OCO2 15673170 ZHRGKDDDZCFYDL-SFTDATJTSA-N 398.547 4.056 0 1 GIAF biogenic CC[C@@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)NCc1ccccc1 25430393 HYHJRRBOAINTCU-UXHICEINSA-N 385.552 4.083 0 1 GIAF biogenic C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccccc4Br)cc3c21 28901979 LZFAKIYGNFRNII-SNVBAGLBSA-N 398.260 4.030 0 1 GIAF Cn1c(C(C)(C)C)c/c(=N\C(=O)c2cc(C(F)(F)F)ccc2F)n1CC1CC1 29125292 CPTNZMBKHWJIBD-KOEQRZSOSA-N 397.416 4.433 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@@H](O)[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 33820904 HVAWCRJIBNFWOY-KQPNOHMBSA-N 392.580 4.478 0 1 GIAF C[C@H](CCC1CCN(Cc2ccc3c(c2)Nc2nccnc2S3)CC1)C(=O)O 38359017 GFMKRMHHQGGHBQ-CQSZACIVSA-N 398.532 4.398 0 1 GIAF O=C(O)c1cccc(-c2nc(C(=O)CCCCCCc3ccccc3)no2)n1 40395820 PNJMLQZFPDAIFH-UHFFFAOYSA-N 379.416 4.206 0 1 GIAF NC(=S)N1N=C(c2cccc(Br)c2)C[C@@H]1c1c[nH]c2ccccc12 40423969 WJOYMLFUSXBPHD-QGZVFWFLSA-N 399.317 4.325 0 1 GIAF O=C1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccc(OC(F)(F)F)cc21 40829159 UZGYTPRTNNUMIN-UHFFFAOYSA-N 389.251 4.334 0 1 GIAF O=C(O)CC[C@]1(c2cccnc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 49013845 BTNSKYZYJVZFJC-HXUWFJFHSA-N 387.867 4.166 0 1 GIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCOc2c1cccc2N1CCCCC1 66077945 BWUZDTXKQFBCBM-SFHVURJKSA-N 391.475 4.199 0 1 GIAF C[C@]1(c2cccc(CC(=O)c3nc4ccccc4s3)c2)CCSC(N)=N1 96174349 UAVKYUJLSRPYEH-HXUWFJFHSA-N 381.526 4.389 0 1 GIAF COC(=O)C[C@@H]1[C@@H](Cc2ccccc2)C[C@@H]2[C@H](Cc3ccccc3)C[C@@H]1N2C 103225767 XXQUTIIQIQULCG-LSDVVMKASA-N 377.528 4.360 0 1 GIAF O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(c2ccccc2)CC1 201774695 UAMBUXXPGFLJKE-UHFFFAOYSA-N 378.497 4.317 0 1 GIAF C[C@H](O)[C@@H](CCCCCCC(=O)O)CCC[C@H](O)COc1ccccc1F 216671009 QTRIUVYGJLBNLT-BZSNNMDCSA-N 384.488 4.158 0 1 GIAF CCCCC[C@H]1/C=C/[C@H]2[C@H](OC(C)=O)CC(=O)[C@@H]2C/C=C\CCCC(=O)O1 238756837 TYOJAIKYXCRSCC-JTPNTKCXSA-N 376.493 4.302 0 1 GIAF CC[C@@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2[nH]1 586886669 CPFANCNCWKCLOI-XOBRGWDASA-N 385.489 4.276 0 1 GIAF CC(C)CCOc1cc2nc([C@@H](O)C3CCOCC3)[nH]c2cc1Br 586914306 ZFBSPBBWLCQSCB-KRWDZBQOSA-N 397.313 4.210 0 1 GIAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(C(N)=O)ccc2[nH]1 586982019 YMAGVNFOOFKDJP-UHFFFAOYSA-N 395.260 4.190 0 1 GIAF Oc1nccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c12 587000019 JQTDSWDNBUVVGS-UHFFFAOYSA-N 396.248 4.100 0 1 GIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(Br)c(F)c2[nH]1 587175537 UFSDYXUPDKPVJZ-LBPRGKRZSA-N 391.219 4.327 0 1 GIAF Cc1ccc(C)c2[nH]c(-c3ccc4ncc(I)n4c3)nc12 587187587 JBOWRWOLTNQYHR-UHFFFAOYSA-N 388.212 4.099 0 1 GIAF CCOC(=O)c1ccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587197770 NNGXCJOICREZTM-MRXNPFEDSA-N 375.469 4.304 0 1 GIAF COc1cc(OC)c2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 587219198 NOKPKRKGYDAGIK-FQEVSTJZSA-N 387.439 4.100 0 1 GIAF Cc1ncn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587339908 GVBVBIUNLBYSJR-IRLDBZIGSA-N 380.419 4.162 0 1 GIAF CC(C)[C@@]1(Cn2cccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340491 HVXWGYUKPYECJX-IFMALSPDSA-N 380.419 4.182 0 1 GIAF C[C@]1(c2cc(C(=O)O)co2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353195 MLIZSVGMCDGFJG-GHTZIAJQSA-N 382.343 4.097 0 1 GIAF Cc1ccc2nc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2c1 587587344 MKKBUTBQPOKNTH-OFNKIYASSA-N 386.407 4.225 0 1 GIAF C=C1C=C(C)n2ncc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2N1 587590416 ZZEJVCUBRUEDMY-NQIIRXRSSA-N 387.395 4.092 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]ccc2Br)N1 587675703 AXCDFKLSMMPYII-UHLUBPPHSA-N 388.078 4.302 0 1 GIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(N)c1C 587745546 FYUBXKKIJGOXNB-APBUJDDRSA-N 393.300 4.285 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](c3cnn(C)c3)C2(C)C)N1 587761005 SALCWJXDUZFQCU-VWCVUJCZSA-N 392.316 4.265 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(-c3ccco3)nc2)N1 587774288 LXTMSXJLCBBVGB-BMLIUANNSA-N 388.240 4.262 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(O)ccc3C2)N1 587834914 UKPIPCIBWXTJII-WYRIXSBYSA-N 376.269 4.212 0 1 GIAF O=C(O)c1cc(O)cc(-n2c(O)cc(-c3c(Cl)cccc3Cl)c2O)c1 587926074 KQMDWELRGYTGGS-UHFFFAOYSA-N 380.183 4.266 0 1 GIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Br)cc(C)c3[nH]2)cc1 587938650 YCKKCJCFKJHWEO-APPDUMDISA-N 375.266 4.480 0 1 GIAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc(C(F)(F)F)c1 963226361 LPWNZOVRGWOMMX-RBUKOAKNSA-N 386.373 4.250 0 1 GIAF CCOc1ccc2c(c1Cl)CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772608508 BVJPAFZBZJPHSW-HNNXBMFYSA-N 386.923 4.494 0 1 GIAF Cn1nccc1CSc1nc(N)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 1857746101 OPNJURBPZLSDPR-LLVKDONJSA-N 387.578 4.450 0 1 GIAF COc1cc(CN2CCC[C@H](N3CCc4ccccc4C3)C2)c(Cl)cc1O 22909981 TYMNNVAFHNIBIU-IBGZPJMESA-N 386.923 4.077 0 3 GIAF COc1ccc(Cc2[nH]n3c(=O)c(Cl)c(C)nc3c2-c2ccccc2)cc1 103746495 JMLXAUOPYMTLPO-UHFFFAOYSA-N 379.847 4.251 0 3 GIAF C[C@@]12C[C@H](NC(=O)N1c1cccc(F)c1)c1cc(Br)ccc1O2 2498611 TYWAYISRHDWHOJ-WMLDXEAASA-N 377.213 4.358 0 1 GIAF Cc1nc(Sc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2cc[nH]c2n1 13744324 RWWSATIOUARTAR-UHFFFAOYSA-N 385.456 4.265 0 1 GIAF CCN(CC)CCCOc1ccc(Nc2nccc(-c3ccncc3)n2)cc1 26655831 SMAWPUBSSKHXQX-UHFFFAOYSA-N 377.492 4.393 0 1 GIAF CCCc1c(OCc2ccc(C(=O)O)cc2OC)ccc2c(C)cc(=O)oc12 27891631 NZGPEURVKUGIPF-UHFFFAOYSA-N 382.412 4.340 0 1 GIAF COc1ccc(-c2nnn[nH]2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 28022685 LLZMGAJXRWEJTD-NTEUORMPSA-N 397.438 4.194 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1cccc([C@@H](C)N3CCCCC3)c1)C2 28132551 ZEOPUBHBRCLSHH-WAIKUNEKSA-N 395.499 4.437 0 1 GIAF O=C(OCCCCN1CCC(OCc2ccccc2)CC1)c1cccc(F)c1 28650709 YJPYLKLJKPTNBQ-UHFFFAOYSA-N 385.479 4.444 0 1 GIAF in-vivo O=C1NCN(c2ccccc2)C12CCN([C@H]1CCCc3cccc(Cl)c31)CC2 28886316 LUTRYIHVLIPQAF-FQEVSTJZSA-N 395.934 4.146 0 1 GIAF CN(C)CCN1Cc2cc3c(Nc4cccc(Br)c4)ncnc3cc21 40422820 CCNLXZQUHIOSNZ-UHFFFAOYSA-N 398.308 4.018 0 1 GIAF CCN1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3)N2C1=O 72117001 MMFSTZXXFVVGLA-MJGOQNOKSA-N 379.847 4.120 0 1 GIAF O=c1[nH]ccc2nc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)sc12 72140818 SLKPAKPHVBWASJ-UHFFFAOYSA-N 395.406 4.051 0 1 GIAF Clc1cccc(CNc2ncnc3c2nc(C2CC2)n3C[C@@H]2CCCO2)c1 82181389 NMTWLYBHGDLHFW-INIZCTEOSA-N 383.883 4.148 0 1 GIAF CC(C)c1nc2c(NC[C@@H](C)c3ccccc3)ncnc2n1C[C@H]1CCCO1 82188690 XBQCJUFHWDYJAR-SJLPKXTDSA-N 379.508 4.344 0 1 GIAF COc1ccc(CN[C@@H]2C3CCN(CC3)[C@@H]2c2cccc(Cl)c2)c(OC)c1 95560753 QECBUZHWFDACDA-FGZHOGPDSA-N 386.923 4.282 0 1 GIAF COc1cccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@H]3c2ccc(-c3ccccc3)cc2)c1 100094480 AOUUDKICAHMIPP-UBRQYEGLSA-N 399.494 4.334 0 1 GIAF CCCCCCNc1ccc(S(=O)(=O)NCC2CC2)c(C(F)(F)F)c1 146009326 CUQKQMWOBQHDGH-UHFFFAOYSA-N 378.460 4.386 0 1 GIAF CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@@H]1c1ccc(F)cc1)CCCC3 169686273 YLHDGURHLCTIDP-ZWKOTPCHSA-N 381.451 4.099 0 1 GIAF COc1ccc(-n2c(O)cc(Sc3nnc(-c4ccccc4)o3)c2O)cc1 169691767 PEGHWTSGSWEOTG-UHFFFAOYSA-N 381.413 4.098 0 1 GIAF CNC(=O)[C@@H](CCCCCCC(=O)NC1c2ccccc2-c2ccccc21)N=O 169724767 GCLAISIYNLVKHY-HXUWFJFHSA-N 393.487 4.094 0 1 GIAF CCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261134728 LTYAWIKNOPSPBV-KESTWPANSA-N 384.564 4.276 0 1 GIAF O=C(Cn1ncc2c(=O)oc3ccccc3c21)Nc1ccc(Cl)cc1Cl 299823713 SQEQUMOUVBOKMG-UHFFFAOYSA-N 388.210 4.088 0 1 GIAF O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2n1 473111572 AEWLCYATCHHWMP-UHFFFAOYSA-N 387.527 4.309 0 1 GIAF Cc1cc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586881898 ZAWIMTMRPBCOBQ-UHFFFAOYSA-N 384.395 4.485 0 1 GIAF O=C1C[C@@H](Cc2nc3cccc(F)c3[nH]2)c2c(Br)cccc2O1 587004551 WSFZXZPKOTVQGG-SECBINFHSA-N 375.197 4.100 0 1 GIAF O=C(Nc1sc2c(c1-c1nc3ncc[nH]c-3n1)CCC2)c1ccccc1Cl 587031363 QWYOMRZCWMPYOW-UHFFFAOYSA-N 395.875 4.427 0 1 GIAF COC(=O)c1ccnc2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc12 587095365 UZQDCDLRKBHUJP-UHFFFAOYSA-N 389.255 4.449 0 1 GIAF COC(=O)c1ccc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2c1OC 587095735 SOQMTKRUCNWRFU-UHFFFAOYSA-N 378.350 4.276 0 1 GIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cc2N1 587127288 VJMFSPORWSVCBC-XRGYYRRGSA-N 391.184 4.436 0 1 GIAF CC(C)(C)Oc1cc(-c2nc3c(Br)ccnc3[nH]2)c(N)cc1F 587136227 LUMFEZYHKNGZFM-UHFFFAOYSA-N 379.233 4.286 0 1 GIAF O=C1COc2cc3[nH]c([C@H](Nc4ccccc4)c4ccccc4F)nc3cc2N1 587149821 LYZNXACRGJDUFP-OAQYLSRUSA-N 388.402 4.234 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3cccc(C(F)(F)F)c3[nH]2)CCC(=O)CC1 587234271 IJNZFMVRKAHRKT-UHFFFAOYSA-N 397.397 4.445 0 1 GIAF Oc1nc(O)c2ccc(-c3ccc(OCc4c(F)cccc4Cl)cc3)nc2n1 587368505 RJNHUPMTTRQJHD-UHFFFAOYSA-N 397.793 4.475 0 1 GIAF O=C1c2ccc(O)cc2O[C@](Cc2cccs2)(C(=O)O)[C@H]1c1ccc(F)cc1 587371714 CWASKXGJRIICHQ-RXVVDRJESA-N 398.411 4.018 0 1 GIAF COc1cc2c3c(c1)O[C@@](CCN(C)C)(c1cccc4ccccc14)[C@@H](C2)C3=O 587430589 VXWNVYBIDRBTDL-OFVILXPXSA-N 387.479 4.443 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)c(N)c1)CC2=O 587457439 ZNGWWWHKAZXAFX-KRWDZBQOSA-N 376.250 4.396 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1nn(CC)cc1Br)CC2=O 587458126 GOZZWSJEXIJNPH-HNNXBMFYSA-N 379.254 4.030 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](CC(=O)O)c2cc(OC)ccc21 587483024 UCRDJNCUHCZUTE-JCQPUDPBSA-N 396.439 4.176 0 1 GIAF COc1c(F)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587558756 UERAWKMPRSPVKN-XLIONFOSSA-N 384.334 4.382 0 1 GIAF Cn1cc([C@@H]2C[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)C2(C)C)cn1 587581772 MNIZEDBCUYAIBP-QUZZAMIASA-N 390.439 4.040 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C[C@@H]1C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587596864 PNSICPAKQUDWLV-YWUSGSKHSA-N 396.439 4.092 0 1 GIAF COc1ccc(-c2csc(-n3ncc4ccc(Cl)cc4c3=O)n2)cc1F 587651298 GURSBFBBTGJTFY-UHFFFAOYSA-N 387.823 4.310 0 1 GIAF COc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC 587804873 CSNCSEORTNDPCT-BTDLBPIBSA-N 380.257 4.229 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cncc(Br)c1 587866821 KJYGRKZVPHJXPV-UHFFFAOYSA-N 399.170 4.119 0 1 GIAF COc1ccc2cc([C@@H](C)c3nc4nc(Br)c[nH]c-4n3)ccc2c1 587936131 RYJYWBPAHQDAJR-SNVBAGLBSA-N 383.249 4.381 0 1 GIAF Cc1cc(C)c(-n2cccn2)c([C@@H]2N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c1 962730077 LPDPDOHCQFWCNA-RTBURBONSA-N 399.416 4.224 0 1 GIAF CNc1ncc([C@@]2(C(C)(C)C)NCCc3cc4cccc(OC)c4nc32)s1 963053023 FWNPPNMTLVDYDE-OAQYLSRUSA-N 382.533 4.177 0 1 GIAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc(S(C)(=O)=O)c(OC)c1 963234006 DTQJHIGDXTXFJS-KSFYIVLOSA-N 387.545 4.019 0 1 GIAF CC1(C)OC(=O)N([C@H]2CC[C@H](NC(=O)c3cscn3)CC2)[C@H]1c1ccccc1 1772606290 WJOVBJQSZANGCN-BQFCYCMXSA-N 399.516 4.156 0 1 GIAF CC[C@@H]1CN(Cc2ccccc2)c2cc(C3=CCNCC3)ccc2N1C(C)=O 1857646108 GRXHTVINFFTUNX-JOCHJYFZSA-N 375.516 4.215 0 1 GIAF Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N1CC(=O)Nc2ccccc21 3625537 PVBXNUKMOFVKDE-QHCPKHFHSA-N 385.467 4.442 0 3 GIAF COCc1[nH]nc2c1[C@H](c1cccc(C(F)(F)F)c1)N(c1ccccc1)C2=O 199731331 RFVPYEQMKDFLCS-SFHVURJKSA-N 387.361 4.325 0 3 GIAF Cc1cccc(CN2C(=O)CSc3ccc(C(=O)NC4CCCC4)cc32)c1 3042101 ZYEDEYDPWKIIIS-UHFFFAOYSA-N 380.513 4.306 0 1 GIAF Oc1ccc2c3c1O[C@H]1Cc4c([nH]c5ccccc45)[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314 13737353 HQLZRENSDIGHBJ-YDOBTQPPSA-N 398.506 4.253 0 1 GIAF C[C@H]1CN(CC(=O)O)[C@H](C)CN1c1ccccc1Sc1ccc(Cl)cc1 28362676 JWJRJOKVXACSQY-CABCVRRESA-N 390.936 4.475 0 1 GIAF C=CC(=O)OCC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 33856272 BIFACLOIZIKJPO-IGJOJHROSA-N 384.516 4.433 0 1 GIAF biogenic O=C(O)c1cn(Cc2ccc(C(F)(F)F)cc2)c2c(F)ccc(F)c2c1=O 45390639 HQYRHYDKZASBTL-UHFFFAOYSA-N 383.272 4.045 0 1 GIAF O=C(N[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)O)c1ccc2ccccc2c1 49069941 BFGGKKPGABBYSG-GOSISDBHSA-N 387.357 4.284 0 1 GIAF COc1cc2nc(N3CCCC3)nc(NCCCc3ccccc3)c2cc1OC 82131178 NMVAWEYBCCCAKY-UHFFFAOYSA-N 392.503 4.292 0 1 GIAF COc1ccc(CCc2cccc3c2Nc2ccccc2S3(=O)=O)cc1O 95595744 VSXVLLGGHFNPFC-UHFFFAOYSA-N 381.453 4.076 0 1 GIAF COC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CC(=O)O[C@@H]1c1ccccc1 142735765 NWKBBOALVUSAHW-MJGOQNOKSA-N 378.346 4.096 0 1 GIAF O=C(C1=C[C@H](c2cccs2)C[C@H](OCCCCO)O1)N1CCCCCCC1 147463697 MROKZHDMMQEAJY-FXAWDEMLSA-N 393.549 4.044 0 1 GIAF O=C1C[C@H](C2CCCCC2)NC(=O)[C@H]1C(=O)Nc1ccc(C2CCCCC2)cc1 169727302 DGRYMTJBTZFZBW-IFMALSPDSA-N 396.531 4.327 0 1 GIAF CC(C)c1cc(Oc2c(C3CCC3)ccc(-c3cnc(N)nc3)c2F)nc(N)n1 212145020 OCPFHACBHYOIES-UHFFFAOYSA-N 394.454 4.420 0 1 GIAF O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1nccs1 250796308 BHCJSUWNSLTRNB-LWYYNNOASA-N 386.476 4.386 0 1 GIAF Clc1cncc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586998640 MZCQUJHBFCTRLS-OWOJBTEDSA-N 378.613 4.273 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(O)cc3[nH]2)c1 587050536 OXCPMQFBKCCTNW-CMDGGOBGSA-N 398.850 4.312 0 1 GIAF Nc1ccc(-c2ccc3nc(CCC(=O)Nc4cccc(F)c4)[nH]c3c2)cc1N 587161794 DKWGJXVSYYMCJI-UHFFFAOYSA-N 389.434 4.105 0 1 GIAF CN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]2CCC[C@@H]21 587332732 AYWRLQKMCUPHIZ-YDWJEQILSA-N 381.447 4.133 0 1 GIAF CCc1nccn1Cc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587390326 MEJNGIACVBKMSJ-OAQYLSRUSA-N 391.471 4.100 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)C3CCCC3)cc1)O2 587410642 UJLPEBPWNHYJOP-QFIPXVFZSA-N 399.512 4.174 0 1 GIAF CCCc1c(O)ccc2c1O[C@](Cn1ccnc1)(c1cccc(F)c1)CC2=O 587467758 RFLUMWMODDBHRT-JOCHJYFZSA-N 380.419 4.241 0 1 GIAF CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)OC 587522251 GOMAXTUDHDSICN-NRFANRHFSA-N 380.440 4.457 0 1 GIAF CN(C)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587573220 SEDGREXPDDRAOH-NFBKMPQASA-N 375.424 4.335 0 1 GIAF CCN[C@H](C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574239 WGJJFOLTKVPJCB-YOJAFSQSSA-N 389.451 4.247 0 1 GIAF CCCCOC(=O)[C@@H]1CCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587595177 JMXDQPXZNDWYJA-XKDCRVNJSA-N 396.439 4.236 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(C(=O)O)c2)N1 587714246 DXLKZGFIGXQBMQ-PWJLMRLQSA-N 382.204 4.049 0 1 GIAF COc1c(F)cc(F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587722135 QZYIONQIZJQARZ-ZKANADHPSA-N 386.211 4.499 0 1 GIAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Br)c(C)nc2[nH]1 587787787 RLRUZUGLMCNTRS-UHFFFAOYSA-N 388.265 4.161 0 1 GIAF COCCOc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587791332 HMVNVLVAYMFNQF-BLVKFPJESA-N 394.284 4.237 0 1 GIAF C=C1C=C(C)n2c(c(Cc3ccc(C)cc3)c(=O)n2CC(=O)c2cccs2)N1 958026534 PEQWLFFQZFQTFR-UHFFFAOYSA-N 391.496 4.293 0 1 GIAF CCc1cc([C@@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)on1 961777850 OKPIWYDUXKLFGG-FQEVSTJZSA-N 383.492 4.478 0 1 GIAF CCOC(=O)CCCC[C@]1(C2CCCC2)c2ccsc2CCN1C(N)=O 962710381 LVCCYCXVTDHUBV-FQEVSTJZSA-N 378.538 4.194 0 1 GIAF C[C@@H]1Oc2c(cc(C(=O)Nc3cccnc3)c3c2C=CC(C)(C)O3)C(=O)[C@@H]1C 1772577453 HIVFAIHMZMIBRR-OLZOCXBDSA-N 378.428 4.118 0 1 GIAF COc1ccc(CNC(=O)c2sc3nnc(C)c(C)c3c2C2CC2)cc1F 1857566260 ZPQANVMRLBDXAZ-UHFFFAOYSA-N 385.464 4.263 0 1 GIAF CCCc1c(-c2nc(-c3ccc([C@@H](O)CN)cc3)no2)noc1-c1ccccc1 1857574055 VGOJUAZBTMIFKA-SFHVURJKSA-N 390.443 4.003 0 1 GIAF COc1ccc([C@](C)(O)c2nc(N3CCC(F)(F)CC3)nc3ccccc23)cc1 1911581453 YLJHAXHBPAPQKU-NRFANRHFSA-N 399.441 4.130 0 1 GIAF CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N(C)C 771685 AFEOZOUBLIYTGO-JTHBVZDNSA-N 388.467 4.419 0 1 GIAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2nc(N)sc2c1 13761444 YOETVRIXTIQSDF-INIZCTEOSA-N 381.545 4.482 0 1 GIAF O=C1c2c(O)cccc2C(C(=O)Cc2c[nH]c3ccccc23)c2cccc(O)c21 13862183 DRECSSKVEJPEHL-UHFFFAOYSA-N 383.403 4.067 0 1 GIAF COc1cc(C2=C(c3ccc4ccccc4c3)COC2=O)cc(OC)c1OC 27769770 LDGKCQXGMWOFDM-UHFFFAOYSA-N 376.408 4.333 0 1 GIAF O[C@@H]1COc2cccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2C1 29127263 WBQUTHJYYXHACE-AWEZNQCLSA-N 387.361 4.202 0 1 GIAF C[C@H]1CCCN1[C@@H]1CC[C@H](c2ccc(N3CCCC4(CCNCC4)C3=O)cc2)C1 72318336 XRCFSLPGQATEKC-IEIRFRATSA-N 395.591 4.304 0 1 GIAF COc1ccccc1-c1c(=O)ccn2nc(Oc3ccc(F)cc3F)ccc12 84730937 VDHLUDCDWACJEC-UHFFFAOYSA-N 380.350 4.441 0 1 GIAF CCCCCCn1c(=O)cc(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc21 100643309 WQCBKSDRUBLOAQ-ROUUACIJSA-N 396.531 4.364 0 1 GIAF COC(=O)[C@H]1[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@H]1O2 100796099 IXQQMWIAXLMOHP-UAFMIMERSA-N 388.410 4.180 0 1 GIAF Cc1ccc(O)c(C2=CC3=NNC(=O)[C@H]3[C@@H](c3cccc(Br)c3)C2)c1 102958502 GVBRBUVRHJSWLW-APWZRJJASA-N 397.272 4.136 0 1 GIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@H](C1NCCCN1)C3 103110046 MHMOQEOBNUYDCO-CECNLODDSA-N 388.596 4.098 0 1 GIAF COC(=O)[C@@]1(c2ccccc2)C(=O)N(C(C)(C)c2cc(F)cc(F)c2)C=C1C 103277991 ZLQXEUTVZUTOGF-QFIPXVFZSA-N 385.410 4.057 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc(OC(F)F)cc1 167311300 OPDJWYZBEUMZKV-XJKSGUPXSA-N 391.414 4.415 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C4CCC4)n3)C2)cc1 169709312 BAVRWHQEDTUVFL-HRAATJIYSA-N 379.504 4.204 0 1 GIAF COc1ccccc1-c1nn2cc(Cl)ccc2c1Cc1cccc(C(=O)O)n1 205658621 UEEMMWFGZVQKOL-UHFFFAOYSA-N 393.830 4.347 0 1 GIAF CCc1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586970023 SHWGKRPQBTXGED-UHFFFAOYSA-N 380.429 4.196 0 1 GIAF Brc1ccc(NCCc2nc3ccc(Br)nc3[nH]2)cc1 586995318 JTTRMNMNTNKFMZ-UHFFFAOYSA-N 396.086 4.138 0 1 GIAF Cc1cc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2cc1C 587019257 IVWUEHHNGYEABE-UHFFFAOYSA-N 378.457 4.185 0 1 GIAF Nc1ccc(-c2ccc3nc(-c4ccc5c(c4)NC(=O)CS5)[nH]c3c2)cc1N 587042893 IKRNYOJTVPPVID-UHFFFAOYSA-N 387.468 4.106 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C)c(C)c3[nH]2)cc1 587044006 XHJDPOYRYZLMAY-GOSISDBHSA-N 381.501 4.466 0 1 GIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)cc2N1 587125888 HGXRNFHHFLCJKF-SVGQVSJJSA-N 391.184 4.436 0 1 GIAF Cc1c(Br)ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c12 587172216 ZYCQIXFSDWCTLJ-UHFFFAOYSA-N 377.213 4.230 0 1 GIAF C[C@]1(c2nc3ccc(Br)c(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174130 NAWKBTLNPDDETH-QGZVFWFLSA-N 393.187 4.232 0 1 GIAF Cc1c(Cl)ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 587237533 SFSOLLIDVOALFM-UHFFFAOYSA-N 379.888 4.180 0 1 GIAF Nc1ccc2oc(-c3nc4ccc(I)cc4[nH]3)cc2c1 587252054 RRNCIVQYIXEKDE-UHFFFAOYSA-N 375.169 4.163 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(OC(F)(F)F)cc1)[C@@H](C2)C3=O 587423142 RIGCMGLMLRSUHM-KXBFYZLASA-N 378.346 4.343 0 1 GIAF O=C(N[C@@H]1CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3)OCc1ccccc1 587513288 RIFQJBFZRVQYBC-ZJSXRUAMSA-N 391.467 4.358 0 1 GIAF O=C1C[C@@]2(CCCN(C(=O)c3ccccc3)C2)Oc2c1ccc1c2CCCC1 587514195 MIQZPWMFPTWJJZ-XMMPIXPASA-N 375.468 4.206 0 1 GIAF COCCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587525842 VOWPAQLOUDJICO-DEOSSOPVSA-N 396.483 4.480 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1CCO[C@H]1C21CCCC1 587606135 BMTCJXVUKVLRIP-HRCNYPLYSA-N 378.424 4.072 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2C(=O)C(F)(F)F)N1 587709177 JCBISOOOZOGLBA-UYNUJQBQSA-N 394.206 4.249 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2c2cncnc2)N1 587780006 XHCYTTWGFIRVAD-YFROIQMUSA-N 390.300 4.466 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)O)cc2)N1 587825196 GJRGWHUJFUXBBI-MLCYQJTMSA-N 378.241 4.084 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CCC(=O)O)c2)N1 587827265 KDFOHNZEBJHVAR-WYRIXSBYSA-N 392.268 4.229 0 1 GIAF CCC(=O)OC1=C(C)OC=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587829428 CERBZARLSQFTCS-MGNBDDOMSA-N 396.256 4.046 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cnc(-c2cccc(C)c2)nc1 963604714 FDXVMPCMJJGVLD-QRQCRPRQSA-N 375.472 4.093 0 1 GIAF CC(C)OCCCNC(=O)c1csc(=Nc2ccc(Cl)c(Cl)c2)[nH]1 1857560950 HNJMXUUBFFJZAU-UHFFFAOYSA-N 388.320 4.160 0 1 GIAF COc1ccccc1CC[C@@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1 1911586779 QCMHGCDOZLWPOT-FMNCTDSISA-N 379.544 4.390 0 1 GIAF O=C(c1cccc2[nH]ccc12)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 2356645369 NMDPZSTUHAFXNS-HTUUBCJYSA-N 375.516 4.203 0 1 GIAF CC(C)N(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1 11842088 IQISZLIKPMWJRU-UHFFFAOYSA-N 380.532 4.253 0 3 GIAF CCC(CC)C(=O)N(C)c1c(C)nc2c(OCCOc3ccccc3)cccn12 61907846 QGRNLIDIPBIHPB-UHFFFAOYSA-N 395.503 4.500 0 3 GIAF Nc1c(C(=O)c2cccc(-c3ccncc3)c2)cnn1-c1ccc(F)cc1F 13683057 NZWFFENQMLVUIB-UHFFFAOYSA-N 376.366 4.026 0 1 GIAF CCOC(=O)N1C(=S)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccccc1Cl 26576801 NVLFDWLIOVSYAF-MRPLLJTBSA-N 382.869 4.405 0 1 GIAF Fc1cccc(Oc2ncccc2-c2n[nH]c(Nc3ccc4c(c3)OCO4)n2)c1 28564452 WMCBPEOPXCSEFD-UHFFFAOYSA-N 391.362 4.270 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 29405282 GNWBLLYJQXKPIP-XDNJVSCNSA-N 388.596 4.334 0 1 GIAF COc1ccc(C2=C(c3ccc(SC)cc3)C[C@@H]3CCCN3C2=O)cc1O 29407040 ZYKOFNPJNQBFJK-INIZCTEOSA-N 381.497 4.428 0 1 GIAF COC(=O)C[C@@H](c1ccccc1)[C@@H](C(=O)N(C(C)C)C(C)C)c1ccncc1 34987711 KYWHGTBFANPAHY-UNMCSNQZSA-N 382.504 4.158 0 1 GIAF CCCCCCN1CCC(NCc2ccc(OCCN3CCCC3)cc2)CC1 45187306 KENIXQIUAWECQM-UHFFFAOYSA-N 387.612 4.296 0 1 GIAF Cn1c(-c2ccccc2)cc2c(Nc3ccc(S(C)(=O)=O)cc3)nccc21 82082066 NLOSITPKOMQKAE-UHFFFAOYSA-N 377.469 4.387 0 1 GIAF Fc1ccccc1-c1nc(N2CCOCC2)ncc1-c1nc2ccccc2s1 82175654 NHLHLZWROLVBBE-UHFFFAOYSA-N 392.459 4.396 0 1 GIAF c1nc(NC2CCCCCC2)c2nc(-c3ccoc3)n(C[C@H]3CCCO3)c2n1 82190278 AJPDGAAZAQYWOW-QGZVFWFLSA-N 381.480 4.400 0 1 GIAF Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)/C=C/c3cncnc3)c2)cc1F 84688751 WOHPUSPFTQWQOP-VMPITWQZSA-N 390.418 4.137 0 1 GIAF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1cc(N3CCOCC3)ccc12 102802855 VFVOMJYPBNXRLG-XMSQKQJNSA-N 378.472 4.094 0 1 GIAF O=C(OCCCc1cn(-c2ccnc3cc(Cl)ccc23)nn1)c1ccccc1 103269368 PEAGGFHPCJQNEB-UHFFFAOYSA-N 392.846 4.259 0 1 GIAF O=c1cc(-c2ccccc2)oc2cc(O)c(OCCCCN3CCCC3)c(O)c12 103271058 KSIGKHFTPQOKOJ-UHFFFAOYSA-N 395.455 4.126 0 1 GIAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)C[C@H]1CC[C@H]3N1 113222316 DOUMNJOBZGMSMH-DYESRHJHSA-N 397.478 4.247 0 1 GIAF O=C(O)c1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 117559058 HVGTUNRGHOMOLH-UHFFFAOYSA-N 388.412 4.071 0 1 GIAF COC(=O)[C@@]1(Cc2ccccc2)CC(=O)O[C@@]1(C)c1cccc(C(F)(F)F)c1 203532624 RAJHCZJZFCFJMA-VQTJNVASSA-N 392.373 4.270 0 1 GIAF Cc1nc([C@H](CC2CC2)NC(=O)c2cccc(-c3cccc(Cl)c3)n2)no1 207728503 QGYPULCCGRVSON-SFHVURJKSA-N 382.851 4.365 0 1 GIAF C[C@]1(C(=O)O)CCN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 253918621 WVFQWSQTENHWCH-TUSQITKMSA-N 375.512 4.420 0 1 GIAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 586882111 KDZWQEPOAPGHOT-UHFFFAOYSA-N 376.334 4.390 0 1 GIAF Cc1oc2c(c1-c1nc3c(Br)cnc(Cl)c3[nH]1)C(=O)CCC2 586904377 UEDGMGKGSWKYJN-UHFFFAOYSA-N 380.629 4.461 0 1 GIAF CC(=O)N[C@@H](Cc1nc2ccc(F)c(C)c2[nH]1)c1ccc(Br)cc1 586985125 KKSAEJXQUHURHZ-INIZCTEOSA-N 390.256 4.193 0 1 GIAF FC(F)(F)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587006979 VSARXALJSDZUQU-UHFFFAOYSA-N 382.143 4.054 0 1 GIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C(=N)N)cc2[nH]1 587035458 WTGXPKMTDZZACO-HNNXBMFYSA-N 391.500 4.333 0 1 GIAF FC(F)(F)Oc1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587074960 CDZVOMQELLFXLT-UHFFFAOYSA-N 379.729 4.363 0 1 GIAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc3c(cc2[nH]1)OCCCO3 587201530 QSSBLDORSFYWCY-UHFFFAOYSA-N 389.496 4.305 0 1 GIAF Cc1cccc(NC(=O)Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1C 587239268 OPXKZKNOVAALFN-UHFFFAOYSA-N 398.335 4.410 0 1 GIAF CC[C@@]1(c2c[nH]ccc2=N)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338768 RLQGOUSHFDSYIZ-UNMCSNQZSA-N 378.403 4.003 0 1 GIAF CC[C@@]1(c2cn(C)nc2C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342459 NPVINAFMRMMZFI-IRLDBZIGSA-N 380.419 4.238 0 1 GIAF COc1cc(Br)cc(OC)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587376722 JZCKGDBASCOMDM-MRXNPFEDSA-N 392.249 4.063 0 1 GIAF COc1cccc([C@]2(c3c[nH]c4ncccc34)CC(=O)c3cc(C)cc(N)c3O2)c1 587397135 TUWWVTSBNBAIIZ-DEOSSOPVSA-N 399.450 4.371 0 1 GIAF CCn1ncc(Br)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506980 ZPBDPVFGKCJAAP-MRXNPFEDSA-N 375.266 4.251 0 1 GIAF O=C(O)CSC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587531928 JWPZIRVCPYJIQB-QFIPXVFZSA-N 382.481 4.244 0 1 GIAF C[C@@]1(COc2ccc3ccc(=O)oc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587532458 OATZDRGLTXOXEE-DEOSSOPVSA-N 390.435 4.475 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1Cl)OCO2 587551442 FLHHTKXDQSCXJO-NQIIRXRSSA-N 396.782 4.477 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ncc(-c2ccccc2)[nH]1 587590645 SXGKZWKOTIBHGW-DENIHFKCSA-N 384.391 4.485 0 1 GIAF COc1cc(C)c(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587590853 ZPMOPOBVDIGAGL-NQIIRXRSSA-N 391.423 4.067 0 1 GIAF C[C@]1(c2nc3c(s2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587617113 IQBKWCJZZIUPBN-UTKZUKDTSA-N 379.437 4.214 0 1 GIAF COC(=O)c1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587721968 XGVKOQKDDNDDMZ-XLFHBGCDSA-N 396.231 4.138 0 1 GIAF CCOc1ccccc1OCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587779847 GSTMITSRBAFQPW-UHFFFAOYSA-N 391.221 4.001 0 1 GIAF COC(=O)c1cc(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587812423 ZBGVWKFFTYMXNY-BBATYDOGSA-N 392.268 4.307 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CCC(=O)O)cc2)N1 587829628 RQIKACGARJVNJH-NSPYISDASA-N 392.268 4.229 0 1 GIAF Cc1ccc2c(c1)OC[C@@]1(CO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587836705 XLCXZOOWNFLDNW-CWTRNNRKSA-N 392.268 4.098 0 1 GIAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2c(N)ncnc2[nH]1 587949305 RAEXLFKROUPLTL-JKIFEVAISA-N 393.491 4.220 0 1 GIAF CC1(C)OCc2c(Nc3n[nH]c4c(Cl)c(F)ccc34)nc(-c3cn[nH]c3)nc21 653710227 XXKKLMVAVKRRTQ-UHFFFAOYSA-N 399.817 4.044 0 1 GIAF CCOC(=O)[C@@]1(c2cccc(C)c2C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962638640 XDJPDIIHOQQGTM-UPCLLVRISA-N 397.515 4.004 0 1 GIAF Cc1cc(Br)ccc1[C@]1(C(F)(F)F)NCCc2c(C)ccnc21 963069402 MHNMQTAFQLBCDU-INIZCTEOSA-N 385.227 4.413 0 1 GIAF Cc1ccnc(NC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)c1 1857645107 QUYNDAZWFVUGKH-UHFFFAOYSA-N 391.381 4.121 0 1 GIAF Cc1ccccc1C1=NN(C(=O)Cc2ccc(Cl)cc2)[C@](O)(C(F)(F)F)C1 1857750628 MGYJRCXOOVVUFB-GOSISDBHSA-N 396.796 4.078 0 1 GIAF O=C(Nc1cccc(Cc2ccccc2)c1)[C@H]1CC(=O)N(C2CCCCC2)C1 14959370 JYYRFSFIFTZMIR-FQEVSTJZSA-N 376.500 4.397 0 1 GIAF Brc1cnn2c(NCc3cncnc3)cc(-c3ccccc3)cc12 24930139 IBUPHWYGVDAASU-UHFFFAOYSA-N 380.249 4.166 0 1 GIAF in-vivo O=C1c2cc(CCCCOC(=O)C(F)(F)F)ccc2OCc2ccsc21 27209851 QUKRPXMGMXBAMC-UHFFFAOYSA-N 384.375 4.300 0 1 GIAF CCCCC[C@H](O)/C=C/[C@@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCCCC(=O)O 27880654 GTNCJTYUJPEVBG-INTHGAFZSA-N 380.525 4.031 0 1 GIAF COc1c(C(=O)O)cc(/C=C/c2ccc(C(=O)O)c(O)c2)cc1-c1ccco1 40848239 IVQLZNBXAKYUSK-SNAWJCMRSA-N 380.352 4.228 0 1 GIAF Cc1cc(N[C@@H](C)C(=O)Nc2ccccc2)nc(NCCc2ccc(F)cc2)n1 45210236 SVBQCRQTSVUYHS-INIZCTEOSA-N 393.466 4.018 0 1 GIAF COc1ccc(CC(C)(C)NC[C@@H](O)COc2ccc3ccccc3c2)cc1 45496887 RKYYDYRRRMHWHW-OAQYLSRUSA-N 379.500 4.199 0 1 GIAF CCN1CCN(C(=O)c2cn(CC3CCCCC3)c3c(OC)cccc23)CC1 58506550 KRDQZFKUVXRPEQ-UHFFFAOYSA-N 383.536 4.008 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@H]2CC[C@@H]1N2C/C=C/CF 62224495 FXIKVFNIIRHKBX-BYQGVBOCSA-N 396.300 4.084 0 1 GIAF CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 73298640 BLAYJFQGHDTHFO-SFHVURJKSA-N 376.884 4.482 0 1 GIAF Cc1ccc(CNc2ncc(C(=O)N3CCCCC3)c(-c3ccc(F)cc3)n2)o1 82140392 KXGAXVSEYMYGSQ-UHFFFAOYSA-N 394.450 4.422 0 1 GIAF CC(C)(C)Cc1nc2c(NCc3cccs3)ncnc2n1C[C@H]1CCCO1 82178187 BLCRNLQRVFMMBK-CQSZACIVSA-N 385.537 4.268 0 1 GIAF C[C@H](Oc1cc(=O)oc2ccccc12)C(=O)NC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 95573743 FPELOZBZQOVRQQ-CCXWTBFDSA-N 395.499 4.426 0 1 GIAF NC[C@H]1CC[C@H](C(=O)Oc2ccc(CCC(=O)OCc3ccccc3)cc2)CC1 100066164 LPWHBGUXJFSETQ-TYKWCNGQSA-N 395.499 4.033 0 1 GIAF in-vitro CCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)N=C2C1=C(O)c1ccccc12 103541382 NLTQGCLSCMCUHG-IBGZPJMESA-N 375.424 4.402 0 1 GIAF CCO/C(O)=C1\C(C)=NC(S)=N[C@H]1c1c(OC)ccc2ccc(OC)cc12 103935304 GGLYUDVABLDKJL-CQGUWYRNSA-N 386.473 4.465 0 1 GIAF CCC(CC)(NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1)C(=O)O 150272089 XDTGERQAJDMMAN-UHFFFAOYSA-N 384.451 4.062 0 1 GIAF CC(=O)CC[C@H]1[C@@H]2[C@@H](O)[C@@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@@]12C 169295094 MZRGOEIFXVZAOF-AACRARBDSA-N 384.516 4.270 0 1 GIAF O[C@@H](COc1cccc(-c2ccc(F)cc2)c1)CN1CCc2ccccc2C1 219737309 NCSFXEDHUUAETC-HSZRJFAPSA-N 377.459 4.291 0 1 GIAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1CCCCCC1 222379430 LBMWUDHQCZLSHO-UHFFFAOYSA-N 389.503 4.354 0 1 GIAF CCN1CCN(CC)[C@H]2c3c(C)c4cc(Br)ccc4n3CC[C@H]21 299809310 ONHHXZOXMRUAII-IEBWSBKVSA-N 376.342 4.183 0 1 GIAF CC[C@H](C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12 299875981 DWBULRIHHPDXHE-ARBPTSGCSA-N 389.499 4.004 0 1 GIAF C[C@@H](Sc1nnc(-c2ccncc2)s1)C(=O)Nc1ccc(Cl)cc1 473083006 MCAXKDICKCVTTN-SNVBAGLBSA-N 376.894 4.373 0 1 GIAF Clc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 587000555 HVCDTQRZQWUSQZ-RJRFIUFISA-N 392.640 4.315 0 1 GIAF COc1cc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2cc1F 587002353 KBPVVZNULWRJIQ-UHFFFAOYSA-N 389.228 4.066 0 1 GIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c[nH]1 587060320 ANOVXYPKWJXHNB-UHFFFAOYSA-N 391.649 4.455 0 1 GIAF COC(=O)c1cc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2cn1 587064246 GIUDXPMIQHCGMU-UHFFFAOYSA-N 383.791 4.237 0 1 GIAF O=C(O)c1cc(Br)cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587084665 PPWNQMLTUXHDEN-UHFFFAOYSA-N 392.640 4.152 0 1 GIAF FC(F)(F)Oc1ccc2c(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)n[nH]c2c1 587126657 FAOVESRNJLFPQC-UHFFFAOYSA-N 398.247 4.326 0 1 GIAF O=S(=O)(c1ccc2nc([C@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1)C(F)(F)F 587161674 PDMBDYPNPWEVTB-STQMWFEESA-N 384.354 4.267 0 1 GIAF CC1=C(c2ccc3nc(-c4[nH]c5ccc(F)cc5c4Cl)[nH]c3c2)NNC(=O)C1 587175700 YZYLJZFFFOUNDD-UHFFFAOYSA-N 395.825 4.259 0 1 GIAF NCc1cccc(-c2nc3cc(Br)c(Br)cc3[nH]2)c1 587246215 MDPAAMACTPEECI-UHFFFAOYSA-N 381.071 4.214 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CC[C@H](OCc4ccccc4)C[C@@H]1F)[C@@H](C2)C3=O 587424726 SYLQZOFKGSGSCN-LUFCQUEKSA-N 382.431 4.289 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CC=CC[C@H]1C(=O)O)[C@@H](C2)C3=O 587448257 BUXHQPWDNYQHKV-FLFXDLLNSA-N 390.435 4.005 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)ncc1Br)CC2=O 587458469 JJPYDPWFESMMFE-MRXNPFEDSA-N 392.249 4.217 0 1 GIAF COc1cc(F)c(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559848 ZSFXGPOCSXLDMI-GHTZIAJQSA-N 384.334 4.382 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1-n1ccnc1 587578045 PVKQYSVZUVUICY-OFNKIYASSA-N 384.391 4.281 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-c2ncon2)c1 587592972 ZSDBJOFYMWDFLA-WIYYLYMNSA-N 386.363 4.145 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1OCCCO2 587607096 FYOXLRAROSLHDW-XXBNENTESA-N 390.391 4.256 0 1 GIAF CN(C)/C=C\[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613523 PGYCRTMDHUTEPL-MSJJPKLJSA-N 393.464 4.386 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncccc1Br 587657440 UJBJQTXMIUFATH-UHFFFAOYSA-N 396.219 4.349 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C2(C)CC2)(C(F)F)N1 587723077 VGEJSIJYOSIVMT-VVVCHXIZSA-N 390.243 4.342 0 1 GIAF CC(=O)C[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587736074 YTCCENHLHJULSA-NSPYISDASA-N 394.259 4.484 0 1 GIAF CCCn1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587757107 MVJXHIHTGMAGLU-ZMZPIMSZSA-N 380.305 4.301 0 1 GIAF Oc1nc(S)nc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 587784125 LVKKWODISUZCEF-DHZHZOJOSA-N 376.441 4.097 0 1 GIAF COC(=O)c1cc(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587811273 WETMMXZURWWNOM-ZMZPIMSZSA-N 392.268 4.307 0 1 GIAF COC(=O)c1cc(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587812422 ZBGVWKFFTYMXNY-ADLMAVQZSA-N 392.268 4.307 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccsc2C(=O)O)N1 587844366 NKSLFUBIFIZUFD-BCTVWOGZSA-N 384.270 4.146 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ncc[nH]2)(c2cccs2)N1 587850784 FSTHNDMYTGCKFT-DYZYQPBXSA-N 392.297 4.199 0 1 GIAF Cc1ncc(-n2c(CCC(=O)O)ccc2-c2cccs2)nc1Br 587941124 RNZJQUDCIYOZAG-UHFFFAOYSA-N 392.278 4.084 0 1 GIAF COCCCN1CCc2ccc(OC)cc2[C@H]1c1ccc(-n2cccn2)c(F)c1 961326800 RTVLSSNTLGCMSK-HSZRJFAPSA-N 395.478 4.004 0 1 GIAF CCOC(=O)N[C@H](c1ccccc1)[C@H]1CCCC[C@]12NCCc1c(C)ccnc12 963077995 VVFDEGWTNSYWKX-LGVFNWMJSA-N 393.531 4.409 0 1 GIAF N#CN1CC(O[C@H](c2ccccc2)c2cc(-c3ccon3)cc(-c3ccon3)c2)C1 1911581892 MQSPTFSOEACMJD-HSZRJFAPSA-N 398.422 4.268 0 1 GIAF O=C(NCCOc1ccccc1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4051677 MVAQCLDSBHSQPH-TZIWHRDSSA-N 392.480 4.035 0 1 GIAF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cn1 5205492 ITYMRBLTPZHKFY-JSRAGOMMSA-N 386.838 4.132 0 1 GIAF CCOc1ccccc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCCO1 13579719 WWZLRPNFHINDPG-IBGZPJMESA-N 375.896 4.409 0 1 GIAF CCCC[C@H](NC(=O)O[C@@H](C)C(C)(C)C)C(=O)C(=O)N[C@H](C)c1ccccc1 13589437 ULOJKTYEGWBLIG-RYRKJORJSA-N 390.524 4.153 0 1 GIAF CC(C)(C)c1ccc(Cc2cccn(-c3ccc4c(c3)OCCO4)c2=O)cc1 14974009 QFUOBTFYMHPBAO-UHFFFAOYSA-N 375.468 4.497 0 1 GIAF CCO[C@H]1[C@@H](c2ccccc2)O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H]1OCC 28570747 ULUMZSNULNTRHL-LAAXVVMPSA-N 384.472 4.051 0 1 GIAF Cc1cc(C(=O)O)nn1Cc1cc(Cl)ccc1OCc1ccc(F)cc1F 34525429 QKJIBLFMNWAEPG-UHFFFAOYSA-N 392.789 4.449 0 1 GIAF COc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(C)c1 40392940 HMVLOWFVCNHGKR-UHFFFAOYSA-N 389.484 4.402 0 1 GIAF Cc1ccccc1[C@@H](OC1CN(C(=O)N2CCCCC2)C1)c1cccnc1Cl 73278263 OGJPXBQFYXPTNO-HXUWFJFHSA-N 399.922 4.440 0 1 GIAF O=C(NC1CCC1)C1CCN([C@@H](c2ccccc2)c2cc(F)cc(F)c2)CC1 96901806 MTKJEGCDFABAFP-QFIPXVFZSA-N 384.470 4.435 0 1 GIAF COC(=O)[C@H]1[C@@H](O[C@H](c2ccccc2)c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C 146433136 KVVSZDPIQNKZIJ-JFDBCFPISA-N 379.500 4.125 0 1 GIAF CC(C)CN1CCC(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166226724 DMSCTIWDXWBMOV-UHFFFAOYSA-N 378.520 4.465 0 1 GIAF CC(C)n1cc(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)cn1 167041925 LNNZEAVCMUCUJI-UHFFFAOYSA-N 389.459 4.264 0 1 GIAF OC[C@H](COc1cccc2cnccc12)NCc1ccc(Cl)cc1Cl 169328841 FYAFHUKGEOIOFD-MRXNPFEDSA-N 377.271 4.071 0 1 GIAF NC(CO)(CO)CCCCCCCCCCc1ccc(C(F)(F)F)cc1 473153916 CYQUEABUCOXLPT-UHFFFAOYSA-N 375.475 4.441 0 1 GIAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587149625 ICTFXWJLQCGQRU-ZETCQYMHSA-N 397.175 4.442 0 1 GIAF Cc1ccc2c(ccc3nc(C4(NC(=O)OC(C)(C)C)CCC(=O)CC4)[nH]c32)n1 587233820 DSZQFOJDGCKEOI-UHFFFAOYSA-N 394.475 4.283 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1c(C)[nH]c(C(=O)OC(C)(C)C)c1C)[C@@H](C2)C3=O 587437134 DIMRWQSSFPQPLI-WNSKOXEYSA-N 397.471 4.258 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1nn(CC)cc1Br)CC2=O 587457898 CYVPORQAQUKTBS-SFHVURJKSA-N 393.281 4.204 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ncccn1 587587582 OPASQHQNWIRLJU-YKSBVNFPSA-N 396.402 4.088 0 1 GIAF C[C@H](O)[C@@]1(C2(C)CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611263 RUHNPQZUHAMCPN-FCORRRHLSA-N 382.456 4.444 0 1 GIAF COC(=O)c1ccc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587718785 OFGQVJRVIMTHDZ-XYZCENFISA-N 396.231 4.138 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](c3cnn(C)c3)C2(C)C)N1 587756755 FHZYFLYSXPRXNO-LCCAYYTGSA-N 392.316 4.265 0 1 GIAF CCc1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 587774759 XMCGSPBGELUBGZ-WLRWDXFRSA-N 388.284 4.422 0 1 GIAF COc1cc(CC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccn1 587775052 YIMFTLQFCPTNSS-PIGZYNQJSA-N 379.273 4.200 0 1 GIAF CCOC(=O)C[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587792734 CPRWONKSYSEOHR-PJFSTRORSA-N 398.316 4.461 0 1 GIAF COCc1ccc(OC)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587799974 CWJLJJYWRQGNAF-JEOXALJRSA-N 394.284 4.367 0 1 GIAF CCC[C@]1([C@H](CC)C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587803401 AHSNIZXRGWONAH-AEDCBLDQSA-N 386.305 4.317 0 1 GIAF COc1cc(OC)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587812545 ZZAYGRHKBDTLCB-NSPYISDASA-N 394.284 4.403 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O)N1 587824365 BFTCQPQQBTXCEJ-SYORKYHNSA-N 382.317 4.135 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc4c(cc32)OCO4)N1 587838781 PCGAOZYUPRWIJC-GIGQVBGESA-N 390.252 4.041 0 1 GIAF COc1ccc(CCCc2nc3cc(Br)c(C)nc3[nH]2)cc1OC 587927838 YDMMIWMRICBYFH-UHFFFAOYSA-N 390.281 4.221 0 1 GIAF CC1(C)C(=O)N([C@H]2CCc3c(N)cccc32)c2nc(Nc3ccccc3)ncc21 1772592357 NLYZJYHBZFQGDP-IBGZPJMESA-N 385.471 4.114 0 1 GIAF O=C1Cc2ccccc2N1C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 1857639067 AMHJQGDUWPMROH-KRWDZBQOSA-N 392.405 4.023 0 1 GIAF CN[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)N(C)C)[C@@H]3CC[C@H]2[C@@H]1O 2356511287 FLAMWHBGWKTYPW-BZIJBCHYSA-N 376.629 4.154 0 1 GIAF CC(C)=CCC[C@@H](C)CN1CCC(N2CCC(C(=O)N3CCCC3)CC2)CC1 12714491 ACTZNLVSJNXYJN-OAQYLSRUSA-N 389.628 4.168 0 3 GIAF O=S(=O)(Nc1nc2cc(Cl)ccc2o1)c1ccc(OC(F)(F)F)cc1 36241889 HSCKZUSOGBMLRP-UHFFFAOYSA-N 392.742 4.181 0 1 GIAF CCN(CC)C(=O)C1=C(C)Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 40933128 VTNIUHPPRHPOSS-KRWDZBQOSA-N 379.291 4.347 0 1 GIAF CCCn1cc(CN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)cn1 73196893 MUDSFHMGAXMJTN-KRWDZBQOSA-N 379.426 4.407 0 1 GIAF O=C(O)Cn1c2c(c3ccccc31)CN(C(=O)c1cccc3ccccc13)CC2 96271032 NVIBILUEGHHNNI-UHFFFAOYSA-N 384.435 4.078 0 1 GIAF CCOc1cccc(C2(N3CCN(c4cccnc4)CC3)[C@@H]3CC(C)C[C@H]32)c1 101685292 CUKMJOAAPROTTA-OTUXZAGOSA-N 377.532 4.174 0 1 GIAF CNc1c(-c2ccc(C(=O)O)s2)cnc2[nH]c(-c3ccc(OC)cc3)nc12 103248094 AQZDJGNYTIPSIH-UHFFFAOYSA-N 380.429 4.102 0 1 GIAF Nc1ncc(-c2ccc(-c3ccccc3Sc3ncccn3)cc2F)cn1 224730188 LWWLIOXMIQWYLN-UHFFFAOYSA-N 375.432 4.473 0 1 GIAF COc1ccc(-c2ccc3c(c2)n2ncc(-c4ccsc4)c2[nH][n+]3=O)cc1 377836323 KBMGKCJFKAGAPO-UHFFFAOYSA-N 375.433 4.134 0 1 GIAF OCc1ccccc1-c1cccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 586894952 HNPHUEPFLZUWIZ-UHFFFAOYSA-N 399.494 4.221 0 1 GIAF Clc1cnc(Cl)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc12 586967357 VEKXOTLZTQDODY-UHFFFAOYSA-N 379.232 4.002 0 1 GIAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Br)ncc2[nH]1 587026776 HYTJZRHRMAHYGO-UHFFFAOYSA-N 375.251 4.336 0 1 GIAF Clc1ccccc1CCc1nc2cc(I)cnc2[nH]1 587059442 QDZCIEJKIUYFHE-UHFFFAOYSA-N 383.620 4.001 0 1 GIAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(F)c(C)cc2[nH]1 587181248 PHZWMJXAJGOFJR-VIFPVBQESA-N 398.223 4.450 0 1 GIAF O=C(Cc1ccccc1)NCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587227902 ASMBPCNXFLALBE-UHFFFAOYSA-N 381.785 4.137 0 1 GIAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 587232266 VLHDLRSHLZYRKS-OALUTQOASA-N 393.487 4.392 0 1 GIAF O=C(c1c(CO)oc2cc(Br)cnc12)C12CC3CC(CC(C3)C1)C2 587273870 PNGQJCOXMJVOQT-UHFFFAOYSA-N 390.277 4.482 0 1 GIAF COc1ccc2c(c1)C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352465 OLPVKQIFONPZIU-LADGPHEKSA-N 390.410 4.436 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2Oc2cc(O)cc(O)c21 587410824 ZTEZKROCRUTJMG-QFIPXVFZSA-N 375.380 4.003 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)([C@@H](C)CC(=O)O)[C@@H](C2)C3=O 587421216 UGXXJZQVWHFZQH-VQDICGIKSA-N 386.831 4.102 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(F)c(C)c(Br)c1)[C@@H](C2)C3=O 587424517 OWZJTJDCTMFXCM-KPZWWZAWSA-N 377.209 4.394 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(SC)nc1SC)CC2=O 587491678 MSBVLFWBAASZEP-OAHLLOKOSA-N 376.503 4.285 0 1 GIAF CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)[C@H](F)C1 587510885 YVDZIWGLPASRAL-GCJKJVERSA-N 389.467 4.248 0 1 GIAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(C)=O 587526432 STIJKKZFEXIOLO-HSZRJFAPSA-N 380.440 4.380 0 1 GIAF C[C@]1(c2c(F)c[nH]c3nccc2-3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567787 FGVLHDJZHRLTGB-PGRDOPGGSA-N 390.370 4.236 0 1 GIAF CC(=O)Nc1ccccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582026 YJFJGNFXXBJCNO-NZQKXSOJSA-N 389.407 4.228 0 1 GIAF COC(=O)c1ccc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587715474 HUOBRLBPJYVLAP-XYZCENFISA-N 396.231 4.138 0 1 GIAF Cc1ccc2nc(C)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)n2c1 587770988 BDOPAUINUSJXDX-ADLMAVQZSA-N 388.284 4.476 0 1 GIAF CCCCOC(=O)CC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587789278 BGXHDBUAAZRVMK-KZULUSFZSA-N 386.305 4.461 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C[C@H]2CCCCC23OCCO3)N1 587840214 WUMQCNNZZRYIHE-DFHBCGBQSA-N 398.316 4.487 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(O)nc1 587858891 OPDIFWMYECBQTG-UHFFFAOYSA-N 378.215 4.045 0 1 GIAF CCc1cc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cs1 587869647 OULXYWKWDVEDCC-UHFFFAOYSA-N 381.379 4.285 0 1 GIAF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2n[nH]c(-c3ccccc3F)n2)s1 587945809 ODBSEFWYIOYYHJ-UHFFFAOYSA-N 396.447 4.456 0 1 GIAF COC(=O)c1cc(OC)n(CC[C@@H](c2ccc(F)cc2)c2ccco2)c1OC 587945933 PODRNBYUNBQWLV-INIZCTEOSA-N 387.407 4.246 0 1 GIAF COc1cc2c(cc1OC)[C@H](C1CCN(c3cccc(C)n3)CC1)N(C)[C@H](C)C2 962628241 LQDKBVCDDMSOEI-OSPHWJPCSA-N 395.547 4.241 0 1 GIAF CCCc1ccc([C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1 962972440 IQJMJWSLWNOYPG-JXFKEZNVSA-N 379.834 4.433 0 1 GIAF Cc1cc(C)nc(SCC(=O)Nc2ccc(NCc3cccs3)cc2)n1 1772634514 GNHXRDCTKQSIOK-UHFFFAOYSA-N 384.530 4.498 0 1 GIAF CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(C3CC3)c2c1 1857575175 AYALJFPEQMMMSC-UHFFFAOYSA-N 397.478 4.015 0 1 GIAF COc1ccc(CN2CCOC[C@@H]2c2ncc(-c3cccc(Cl)c3)[nH]2)cc1 2356302221 PBBSKKCHXCQLDB-HXUWFJFHSA-N 383.879 4.312 0 1 GIAF O=C1O/C(=C\c2ccc(O)cc2)C(c2ccc(O)c(Cl)c2)=C1Br 1663382 YLZGYZBRGQMYRW-AUWJEWJLSA-N 393.620 4.455 0 1 GIAF CCOC(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1C1CC1 5844569 UYQSNRSISGNDIN-UHFFFAOYSA-N 394.471 4.441 0 1 GIAF COc1ccc(Cl)cc1NC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579705 NCZRXAFDSDJXMJ-KRWDZBQOSA-N 381.303 4.315 0 1 GIAF CC[C@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3cc(OC(C)=O)ccc3n21 13650952 XNOUGELKYILKNV-INIZCTEOSA-N 391.423 4.479 0 1 GIAF CC(C)S(=O)(=O)n1c(CCc2ccccn2)nc2cc(Cl)c(Cl)cc21 26648218 OSVPQBZOLBTBOA-UHFFFAOYSA-N 398.315 4.110 0 1 GIAF O=C1N[C@@H](c2ccccc2)C2(CCN(CCc3c[nH]c4ccccc34)CC2)O1 28762007 XBZUMDZIFMNMLE-NRFANRHFSA-N 375.472 4.026 0 1 GIAF C[C@@H](Cc1ccnc2ccc(O)cc12)NC(=O)c1ccc(OC(F)(F)F)cc1 29040755 QDMYIDQIFWFEIY-LBPRGKRZSA-N 390.361 4.200 0 1 GIAF CC(=O)NCCNC(=O)/C=C/c1ccc(OC/C=C(\C)CCC=C(C)C)cc1 40899482 WCUQVIWENGYYLR-NIEGGPFSSA-N 384.520 4.024 0 1 GIAF C[C@H]1CCc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1ccc(Br)cc12 49037515 UUKQKTKLSBUXEX-YBTHPKLGSA-N 396.288 4.050 0 1 GIAF CNc1nc(N2CCC(Cc3ccccc3)CC2)nc2cc(OC)c(OC)cc12 82136557 BSLFSTSQCAPCPV-UHFFFAOYSA-N 392.503 4.148 0 1 GIAF COCCn1c(C2CCCCC2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187284 RGOZPUXYJMFIGN-UHFFFAOYSA-N 397.498 4.314 0 1 GIAF CN1CCN(c2nc(-c3ccccn3)nc3sc4c(c23)CCCCCC4)CC1 96903266 STOHJMQABBUFES-UHFFFAOYSA-N 393.560 4.164 0 1 GIAF O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](Oc2ccc(Cl)nc2)C1 103251186 CQVWDIDVCZICRP-LBPRGKRZSA-N 386.757 4.110 0 1 GIAF CCCN(CC)C(=O)c1cn(C)nc1O[C@H](C)c1cccc(Br)c1 103289037 UYNNRRBXKAQCQD-CYBMUJFWSA-N 394.313 4.195 0 1 GIAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccccc1C(F)(F)F 117588757 AUFAMKXCMIVFGS-UHFFFAOYSA-N 393.409 4.217 0 1 GIAF COC1CCN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 147714370 MNTYFWHTXICFST-UHFFFAOYSA-N 377.448 4.023 0 1 GIAF COC(=O)[C@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-n2cccc2)cc1)C3 195280026 JMLZRLQBGATUMI-IAEILIBISA-N 376.500 4.154 0 1 GIAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2c(c1)OCCCO2 202121267 DZNBPOFPFTVACV-UHFFFAOYSA-N 393.443 4.001 0 1 GIAF Cc1ccc(NC(=O)CSCCc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 586970266 KBTQDUQFLPAMMW-UHFFFAOYSA-N 382.533 4.478 0 1 GIAF COC(=O)c1ccc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2c1 587044473 CPQDEXTZYIINSD-UHFFFAOYSA-N 381.215 4.341 0 1 GIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Br)ncc2[nH]1)C(C)(C)C 587206678 XSRKEEQIHBZRQM-GFCCVEGCSA-N 397.317 4.202 0 1 GIAF Cc1[nH]nc2c1[C@@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345296 IQTQOEGIFYNJDU-IFMALSPDSA-N 378.403 4.154 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCOc3ccc(O)cc32)[C@@H]1c1ccc(F)cc1 587361430 YQHBQNKLXOFNAG-FYYLOGMGSA-N 392.382 4.274 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1c(N)sc3c1CCC3)O2 587412392 BPBCSZQHMWGGEO-JOCHJYFZSA-N 391.496 4.014 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cnn(-c4ccc(Cl)cc4)c1)[C@@H](C2)C3=O 587421935 OIDCGFLWTJBXOO-UWJYYQICSA-N 380.831 4.197 0 1 GIAF COc1cc2c3c(c1)O[C@](Cc1ccncc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587427952 KJMIFANGGAFBEZ-WMZHIEFXSA-N 375.399 4.115 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc3c(c1)OCCO3)CC2=O 587483173 DXIZMBVIZKDXCC-HSZRJFAPSA-N 382.456 4.473 0 1 GIAF COC(=O)[C@]1(c2c[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587522362 FKCPQGXKGGPHQG-HSZRJFAPSA-N 375.424 4.080 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc2ncccc12 587588030 RIUSIJBLZZUQIT-NZQKXSOJSA-N 385.375 4.349 0 1 GIAF COc1cccc2c1OCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611443 RLIFBSAGMFNTMB-WMZHIEFXSA-N 390.391 4.040 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2nsnc12 587618658 PKKAMFBBOOJBNK-OXQOHEQNSA-N 376.393 4.100 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3nc(F)ccc23)N1 587737914 IFLJNBZDEMVFSS-BCTVWOGZSA-N 378.220 4.227 0 1 GIAF COc1ccc2c(c1F)CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587738142 KIQJSELCWWGFII-APBUJDDRSA-N 394.259 4.460 0 1 GIAF CCSc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587845108 MWVPLWBBOBKALR-RFAUZJTJSA-N 382.302 4.114 0 1 GIAF CCc1nccnc1-c1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccc(O)cc1O 653671206 CAIPBEZKRVGEKE-AWEZNQCLSA-N 389.455 4.099 0 1 GIAF COc1ccc2c(c1OC)[C@@](C)(c1ccc(Br)nc1)N(C)[C@H](C)C2 962564202 GQILASCWKPCYAJ-CWTRNNRKSA-N 391.309 4.001 0 1 GIAF COc1ccc2c(c1OC)[C@@H](c1c(C)nn(CC(C)C)c1Cl)N(C)[C@@H](C)C2 962623840 KYQZNBORKRSBMT-ORAYPTAESA-N 391.943 4.484 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@@](CCc2ccccc2)(C(F)F)N1)C(F)(F)F 962705956 GQXIGTOVKFUHFP-LPHOPBHVSA-N 383.360 4.426 0 1 GIAF CCCC[C@@]1(c2ccc(Br)c(C)c2)c2c(cnn2C)CCN1C 963954183 HIISHKCKDCCNGH-LJQANCHMSA-N 376.342 4.413 0 1 GIAF Cc1cc(=O)oc2cc(OCc3cc[n+](Cc4cccc(F)c4)cc3)ccc12 1857537377 YEQXVVSCJCAGCN-UHFFFAOYSA-N 376.407 4.155 0 1 GIAF CCOC(=O)[C@]1(Cc2cccc(OC)c2)CCCN(C(=O)c2ccccc2C)C1 12713013 CYCCOYJNZJVMBF-DEOSSOPVSA-N 395.499 4.032 0 3 GIAF C[C@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccc(Br)cc2)=NO1 12725952 FYHAIKJVDYAFJY-LJQANCHMSA-N 398.260 4.463 0 3 GIAF CCCCCCC1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCCN1CCCC1 4211883 SCKXAUKYHWIWGI-FGZHOGPDSA-N 385.552 4.303 0 1 GIAF CCCCCc1ccc(OCc2cccc(N3C(N)=NC(N)=NC3(C)C)c2)cc1 13740736 RYPITQKKMGHSMZ-UHFFFAOYSA-N 393.535 4.184 0 1 GIAF OCCN1CCN([C@H]2C[C@@H](c3ccc(Cl)cc3Cl)c3ccccc32)CC1 28088577 MURQASUUFILVAE-CTNGQTDRSA-N 391.342 4.180 0 1 GIAF O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2 28886102 MLVHNSLPGKIYBU-UHFFFAOYSA-N 397.522 4.205 0 1 GIAF CC(=O)NC1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1 40420563 UVZMEOGKJYOCNE-UHFFFAOYSA-N 381.501 4.189 0 1 GIAF O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccccc2Cl)C(=O)C1 59278837 QDKOPEUBEPVDSQ-UHFFFAOYSA-N 383.662 4.136 0 1 GIAF Cc1c(CN2CCCc3ccccc32)nc(SCc2ccc(F)cc2)[nH]c1=O 72176522 JWFDKRFCUDIWEN-UHFFFAOYSA-N 395.503 4.463 0 1 GIAF Fc1ccccc1Cc1nc(-c2nc(Cc3ccccc3)n[nH]2)n2ccccc12 73195927 UIGQLNKLFIEBGV-UHFFFAOYSA-N 383.430 4.440 0 1 GIAF CC1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccco3)n2)CC1 82141900 UYPZDPPWVGKXJE-AEFFLSMTSA-N 382.508 4.281 0 1 GIAF CCOc1cccc(-c2cc(NCc3cc(OC)c(OC)c(OC)c3)ncn2)c1 82162019 ODEREFGNEPLDGZ-UHFFFAOYSA-N 395.459 4.180 0 1 GIAF CCc1cc(C(F)(F)F)cc(OC)c1C(=O)C[C@@H]1COCC[C@H]1N1CCCC1 96170653 ZCFUSELHMJIJDC-NVXWUHKLSA-N 399.453 4.350 0 1 GIAF COc1cccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)c1 101152062 CCSZSHPNZBSEMO-XVAYZXCPSA-N 380.488 4.464 0 1 GIAF CCOc1ccccc1-n1c(SCc2ccccc2F)nc2nncc-2c1O 103969932 NTISYZLPGSZTIZ-UHFFFAOYSA-N 396.447 4.303 0 1 GIAF CCN(CC)CCc1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1 169315791 UXRLDGOPRYISHH-UHFFFAOYSA-N 377.525 4.474 0 1 GIAF CC(C)[C@@H]1CC[C@@]2(C)CC[C@@H](O)[C@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C\c1ccccc1 238787487 BYIDNKQJXAGYPI-XWVODTTBSA-N 386.532 4.206 0 1 GIAF CCN1CCN(C(=O)c2cn(CC3CCCCC3)c3ccc(OC)cc23)CC1 299837790 KVFACTXRYYBNHL-UHFFFAOYSA-N 383.536 4.008 0 1 GIAF Cc1cccc2[nH]c(-c3ccc(S(=O)(=O)NCCc4cccs4)cc3)nc12 586944490 SZKOXOZJISHAGF-UHFFFAOYSA-N 397.525 4.121 0 1 GIAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(F)c(F)cc2[nH]1 586980395 RAWQYCVOHBHXFH-UHFFFAOYSA-N 397.175 4.004 0 1 GIAF Oc1nc(S)nc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc12 587015397 OJWCARDRGHRTLU-UHFFFAOYSA-N 396.284 4.445 0 1 GIAF O=C1CCc2cc3nc(-c4ccccc4OCc4cscn4)[nH]c3cc2N1 587029555 PVPBMQXWHWKUAY-UHFFFAOYSA-N 376.441 4.150 0 1 GIAF Fc1cc(Br)cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587039158 CQTUCRFELGKCFU-LSDHHAIUSA-N 392.297 4.411 0 1 GIAF Clc1ccccc1NCc1nc2ccc(I)cc2[nH]1 587063008 ZISGCAQGXAZXOR-UHFFFAOYSA-N 383.620 4.433 0 1 GIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 587168449 WOQQTWIVXXQLOS-CQSZACIVSA-N 393.344 4.485 0 1 GIAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(OCc4ccccc4)cc3[nH]1)C2 587246159 DAPJEVDVOVRRCP-VWLOTQADSA-N 399.494 4.493 0 1 GIAF Cc1ccc(Cl)c(C(=O)c2c(CO)oc3cc(Br)cnc23)c1F 587276529 RRWCWKOACUTPQL-UHFFFAOYSA-N 398.615 4.415 0 1 GIAF COC(=O)[C@@H]1CCC[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346958 CXCZEXHMYCURHK-OFSQETHSSA-N 398.430 4.382 0 1 GIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CC(=O)NC[C@H]32)c1 587362031 COUPGVLIUKKCSA-YOEHRIQHSA-N 384.435 4.432 0 1 GIAF COc1cc2c3c(c1)O[C@](c1cc4ccccc4[nH]c1=N)(C(C)(C)C)[C@@H](C2)C3=O 587434105 RERLSOOVBACAST-UPCLLVRISA-N 388.467 4.345 0 1 GIAF CC(=O)c1c(C)[nH]c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587587791 HVJSKEDTCZYVKF-XXBNENTESA-N 391.423 4.417 0 1 GIAF CCOC(=O)C1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CCCC1 587592653 BJDLEBUGQBYYNR-PGRDOPGGSA-N 396.439 4.236 0 1 GIAF COC(=O)CCCC[C@H](C)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596481 VUVYHQKZAJOMHI-RSDPBLMXSA-N 398.455 4.482 0 1 GIAF COc1cc(F)c2c(c1)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587738147 KJJIXIWNJCLEQI-DGIBIBHMSA-N 394.259 4.460 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/N(C)C)(c2ccccc2)N1 587738780 CVHJDPXHXCXXGG-BPURTMGMSA-N 389.312 4.441 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C)NC(=O)OC(C)(C)C)N1 587751189 WUCRKPCVTLEGHG-YHAQOWFVSA-N 387.293 4.077 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(-n3cccn3)c2)N1 587761150 SNVDAGKHDRKAHE-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF CCOC(=O)C[C@@]1(C2CCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799837 UHDPXQDNKMJCFR-BLVKFPJESA-N 398.316 4.461 0 1 GIAF COCc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC 587801720 NETHRIHWNZPOPF-WLRWDXFRSA-N 394.284 4.367 0 1 GIAF Cc1cc(-n2nc3cc2Oc2ccc(F)cc2-3)c(Cl)cc1S(C)(=O)=O 587875293 IWEHABAPCYZSKP-UHFFFAOYSA-N 378.812 4.149 0 1 GIAF COc1cc(C)c(OC)n1Cc1nc2ccccc2n1Cc1cccc(F)c1 587945095 JFWUAGPAPLWVIP-UHFFFAOYSA-N 379.435 4.399 0 1 GIAF CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCCN)cc12 653737525 VVWLLFFDCNQBTC-UHFFFAOYSA-N 380.488 4.292 0 1 GIAF Cc1ccc2cc(C)n(-c3nc4c(c(NCc5ccccc5)n3)CNCC4)c2c1 653793692 VJEYYFRSOWCCCD-UHFFFAOYSA-N 383.499 4.295 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@@](c3ccc(F)cc3Cl)(C(F)(F)F)c3cccc1c32 963040001 ZWCZDJQKOFGIFO-MLCYQJTMSA-N 398.787 4.338 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(SC(F)F)cc2)N1 963239093 ZTRMODRDFROHHD-QZTJIDSGSA-N 386.423 4.238 0 1 GIAF CC=CC(=O)N(CCCC)[C@@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356874473 YWKFZTFSYLWFKD-HSZRJFAPSA-N 394.515 4.258 0 1 GIAF O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(F)cc1)O[C@@H](CCc1ccccc1)C2 95571466 YDXIAANOZDDBCX-LPHOPBHVSA-N 382.460 4.235 0 3 GIAF CC(C)(C)NC(=O)[C@H](C1CC1)n1c(-c2ccc3c(c2)OCO3)nc2ccccc21 199230011 RJFQSKCWQMZMGN-FQEVSTJZSA-N 391.471 4.298 0 3 GIAF COc1cc(OC)c([C@H]2CC=Cc3c(OC)cc(OC)c(OC)c32)cc1OC 1616657 HEVCGGWNZOCYBP-CYBMUJFWSA-N 386.444 4.287 0 1 GIAF biogenic O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccc3)n2)n2n1CCC2 3942840 UDVVJQVWAPEWSE-UHFFFAOYSA-N 387.418 4.060 0 1 GIAF Cc1nc(CCCCCC[C@@H](O)c2ccccc2)n2nc(-n3ccnc3)ccc12 5891780 XNNDFZXOOZMWFV-OAQYLSRUSA-N 389.503 4.450 0 1 GIAF Cc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)N[C@H](C)c1cccs1 6809007 QEVQZWHTZGJKDO-OAHLLOKOSA-N 390.512 4.495 0 1 GIAF CCN(CC)C(=O)C[C@H]1C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 13681856 NUYXZZNRVPOMFS-MFWZSGHCSA-N 383.532 4.302 0 1 GIAF CCN(c1nc(C)nc(N(CCOC)CC2CC2)n1)c1c(C)cc(C)cc1C 13794557 UJBPGOWNBUNTKV-UHFFFAOYSA-N 383.540 4.126 0 1 GIAF O=C1C(=O)N(Cc2ccccc2C(F)(F)F)c2ccc(OC(F)(F)F)cc21 40395722 OAPLMOFPBOYMCV-UHFFFAOYSA-N 389.251 4.334 0 1 GIAF CCn1cc(CN2CCOc3ccc([C@@H](O)C4CCCCC4)cc3C2)c(C)n1 95598918 HXTMGNQPKVYDLG-QHCPKHFHSA-N 383.536 4.220 0 1 GIAF CCCCN1C(=O)CCS[C@@H]1c1ccc(OCCN(C)c2ccccn2)cc1 96906203 UWUZOSGCTBWDOS-JOCHJYFZSA-N 399.560 4.361 0 1 GIAF CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1Nc1cccc(OC)c1 103277175 YEOSDPFLUUZWNM-UHFFFAOYSA-N 388.427 4.349 0 1 GIAF O=C(Nc1nc2ccc3[nH]ncc3c2s1)C1(Nc2ccc(Cl)cc2)CC1 115720204 ZODPLLYTMWNTCA-UHFFFAOYSA-N 383.864 4.409 0 1 GIAF O=C(Nc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2)c1ccco1 137675878 AMFUZQUDWFCPBN-SFHVURJKSA-N 383.411 4.237 0 1 GIAF CC1=N[C@]2(C[C@@]3(CCCOC3)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N 169708632 NDUICAHCFCQKCR-FGZHOGPDSA-N 395.890 4.323 0 1 GIAF CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)CCCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 253677957 QLPRIWAESOJKJS-BURNTYAHSA-N 384.520 4.089 0 1 GIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(I)cc3[nH]2)cc1 586886607 FOHQHGNTDDJWEC-BDJLRTHQSA-N 392.240 4.313 0 1 GIAF Clc1nccc(-c2nc3c(Br)ccnc3[nH]2)c1Br 586979124 HFMHMQZYGOYNLG-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF COc1cc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2cc1F 587019566 QDVWGKNUGPBPFK-UHFFFAOYSA-N 397.435 4.402 0 1 GIAF Fc1c(Cl)cc2nc(-c3cncc(I)c3)[nH]c2c1F 587185652 VWMBHBJUEBCAHW-UHFFFAOYSA-N 391.546 4.161 0 1 GIAF CCCOc1cc2[nH]c(-c3ccc(N(C)C)cn3)nc2cc1Br 587194706 LOJCBPMYTUQLPS-UHFFFAOYSA-N 375.270 4.242 0 1 GIAF CC(=O)N[C@H](Cc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(C)cc1 587207456 UHXTUMANEYCEND-OAHLLOKOSA-N 390.256 4.193 0 1 GIAF CCCn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587339007 DCBBMZDWNKXFDW-IRLDBZIGSA-N 380.419 4.412 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3c(O)cccc32)[C@H]1c1ccc(F)cc1 587352538 KWRJMBALSXEDQG-JTHBVZDNSA-N 376.383 4.438 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3ccccc3)Oc3ccc(N)cc31)O2 587389029 HXVQHGIVFZFDJX-DEOSSOPVSA-N 384.435 4.454 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)cnn1CC)CC2=O 587458279 RGERTUGLUIWFKV-HNNXBMFYSA-N 379.254 4.030 0 1 GIAF CCn1nc(C)c(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547568 MLINCAIQAWCQAY-FOIQADDNSA-N 384.819 4.273 0 1 GIAF CCOc1ccc(-c2nn(C(=O)[C@@H]3C[C@@H]3C)c(=O)c3ccccc23)cc1OCC 587668815 FPEVLFIDCJRFJY-KBXCAEBGSA-N 392.455 4.157 0 1 GIAF COc1cc(F)cc(F)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587714513 AIWGMJYOZBKSBN-CQLKUDPESA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(-c3ccccc3)n2)N1 587763807 MRXMOXYKCGOXHX-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3nc(O)oc3c2)N1 587777165 FORMKCKPRVWKLV-YYSFKGJASA-N 391.240 4.233 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(C)n(CC)n1 587865602 CYOFWNLSTDERGT-UHFFFAOYSA-N 392.381 4.181 0 1 GIAF COc1cc2c(cc1OC)[C@]1(CCCc3c1[nH]c1ccc(N)cc31)N(C)[C@H](C)C2 962635959 VGHMWLBXQKOUJL-SHACYNPGSA-N 391.515 4.224 0 1 GIAF Cc1ccc(Cn2cc(COc3c4occc4cc4ccc(=O)oc34)nn2)cc1 1772583975 YLYFDYYHGWYGQK-UHFFFAOYSA-N 387.395 4.066 0 1 GIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NCc3ccccc3)c2cn1)c1ccccc1 1772613035 JAQYQNMKDGFCCA-OAHLLOKOSA-N 386.459 4.453 0 1 GIAF CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OCC)C1c1cccs1 1857557792 KUDGANVDPFCDLK-UHFFFAOYSA-N 397.496 4.242 0 1 GIAF CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1SC 1857569196 SCIWGEKFVKSGRB-UHFFFAOYSA-N 383.452 4.184 0 1 GIAF Cc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2Cc2cccs2)cc1 61923966 XRHLWNKYCHYPJE-YPAWHYETSA-N 394.544 4.075 0 3 GIAF ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H]([C@@H]5O[C@@H]54)[C@@H]3[C@@]1(Cl)C2(Cl)Cl 2572813 DFBKLUNHFCTMDC-AUGFTSMQSA-N 380.913 4.481 0 1 GIAF Nc1nc(F)c(F)c(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1F 13444997 UNIZPJWWWZTLDS-UHFFFAOYSA-N 385.324 4.339 0 1 GIAF O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccncc2)O1 29410089 VBBMZLUDKPUZEJ-JJIOWCPJSA-N 394.254 4.047 0 1 GIAF CNC(=O)Nc1snc(S[C@@H](c2ccc(Cl)cc2)C(C)C)c1C(N)=O 36348970 VKPWSFHSZDMYGW-GFCCVEGCSA-N 398.941 4.136 0 1 GIAF NC(=O)c1sc(-n2cnc3ccccc32)cc1OCc1ccc(Cl)cc1 40410920 APHCQWVQIPOIEG-UHFFFAOYSA-N 383.860 4.418 0 1 GIAF C[C@@H](CN[C@@H]1COc2ccccc2SC1)CSc1cccc2cn[nH]c12 43066883 YQVJOXPYZLHMEZ-GOEBONIOSA-N 385.558 4.434 0 1 GIAF CN(C)c1cc2nc(NCc3cccnc3)nc(C(=O)c3cccs3)c2s1 49033046 VGLSCMPCDPYQTM-UHFFFAOYSA-N 395.513 4.057 0 1 GIAF COc1cc([C@@H]2C(C)=NN(C(C)=O)[C@H]2c2ccc(C)cc2)cc(OC)c1OC 72109926 NZTUUBUTLZNSMJ-SFTDATJTSA-N 382.460 4.084 0 1 GIAF O=C(O)c1c(-n2ccccc2=O)c2cc(Cl)ccc2n1Cc1ccccc1F 72179897 CUDLNQJHCAXKLM-UHFFFAOYSA-N 396.805 4.331 0 1 GIAF CCOc1ccc(-c2nc(CN[C@H]3CCN(Cc4ccccc4)C3)co2)cc1 72185453 PKCZOIVVBNNXAX-FQEVSTJZSA-N 377.488 4.104 0 1 GIAF O=Cc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1 73280766 MMBPHWOPDATYED-UHFFFAOYSA-N 390.487 4.157 0 1 GIAF CN(C(=O)Cn1c(=O)oc2ccc(N(C)c3ccccc3)cc21)c1ccccc1 84742247 KFFHEECQYZPVMX-UHFFFAOYSA-N 387.439 4.025 0 1 GIAF S=c1oc(-c2ccc3c(c2)OCCO3)nn1CNc1ccccc1Cl 96935191 GSPNIRTVUVHCGT-UHFFFAOYSA-N 375.837 4.367 0 1 GIAF COc1ccc([C@H]2CC(c3ccc(OC)c(OC)c3)=Cc3n[nH]c(O)c32)cc1 103182852 WXIDBFRFFXVLQP-QGZVFWFLSA-N 378.428 4.217 0 1 GIAF COc1ccc(/C=N/NC(=O)CCn2cc(Cl)c3c(C)cccc32)cc1OC 115598956 WYTHAEWSJFSFMQ-FSJBWODESA-N 399.878 4.161 0 1 GIAF CN1C(=O)NCc2c(NC(=O)N[C@@H]3CCc4cc(C(C)(C)C)ccc43)cccc21 145713264 QCLKGTAQHOZBOH-LJQANCHMSA-N 392.503 4.453 0 1 GIAF CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3C)[nH]2)cc1 146900493 KXERDJFYCFPJBJ-UHFFFAOYSA-N 386.452 4.049 0 1 GIAF CCCCCCC[C@H]1O[C@@H]1[C@@H](OC(=O)c1ccccc1)C(=O)NC(C)(C)C 205630614 YUELGOMGDYIAPF-CEXWTWQISA-N 375.509 4.255 0 1 GIAF COc1ccc(/C=C(/C(=O)N2CC(=O)Nc3ccccc32)c2cccs2)cc1 473088689 JHFPACFPNZKVTK-GHRIWEEISA-N 390.464 4.283 0 1 GIAF Clc1nccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586965061 FCHRLENTRONBIZ-UHFFFAOYSA-N 396.907 4.421 0 1 GIAF COC(=O)c1cc2[nH]c(Cc3sc(-c4ccccc4)nc3C)nc2cc1OC 587011333 JSDQLAIOEAPGPW-UHFFFAOYSA-N 393.468 4.381 0 1 GIAF COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2cn1 587026169 KFYYEZKIJLDENX-QGTPRVQTSA-N 396.516 4.103 0 1 GIAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(CO)cc4[nH]3)c2C1 587032443 WCUVTDUFLVXOHQ-UHFFFAOYSA-N 385.489 4.077 0 1 GIAF Oc1nc(S)nc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc12 587040474 OCWZTHFVZXAFGB-UHFFFAOYSA-N 393.497 4.193 0 1 GIAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2nc(Br)c[nH]c-2n1 587153138 WKVVQIYWOXPQHR-HNNXBMFYSA-N 398.239 4.408 0 1 GIAF Cc1cc(Br)c2[nH]c([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)nc2c1 587172841 MTHUSADHESTXBK-GOSISDBHSA-N 389.224 4.401 0 1 GIAF CC(C)[C@@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)N(C)C(=O)OCc1ccccc1 587198094 SXZUGLLIGDCAGU-SFHVURJKSA-N 399.422 4.366 0 1 GIAF C[C@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587225095 NDKIWIVUFGLZMV-JTQLQIEISA-N 397.784 4.319 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccnc(Br)c2[nH]1 587234234 YBJKJIXTVLEHTI-GHMZBOCLSA-N 395.301 4.271 0 1 GIAF CC[C@@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347901 QLSFEVDRQISWQJ-UGKGYDQZSA-N 395.386 4.222 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nc3ccc(Br)cn13)O2 587374368 XKFFFLXWBZWQIH-HNNXBMFYSA-N 386.249 4.002 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCCCC[C@@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433710 UWNDDLRTHVUTJM-YHEJKZAPSA-N 387.476 4.039 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-n2cccn2)c1 587584015 YJDNWKUEMBOZNJ-NZQKXSOJSA-N 384.391 4.281 0 1 GIAF Cc1nc2sccn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616072 AWZKBWYPGFDIGP-KXBFYZLASA-N 378.409 4.113 0 1 GIAF COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cc(F)ccc12 587637008 SPPQYMHDMLMCRM-LBPRGKRZSA-N 376.428 4.208 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nn(C)c3ccccc23)N1 587765211 RVFQMMMJUJPJGM-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF Ic1cccc2nc(COC/C=C/c3ccccc3)[nH]c12 587781111 PPNJLGPTCZNFEG-VMPITWQZSA-N 390.224 4.398 0 1 GIAF CCOC(=O)C[C@]1(CC2CCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587799300 RROFLNCBRKJZEE-BLVKFPJESA-N 398.316 4.461 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587800477 XPYDWSXURYEPKH-NTHKCUKCSA-N 398.316 4.317 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H]1CC[C@@]2(C)C1(C)C 587829155 QVMJKZYGOKAJNN-DDDFPZQPSA-N 380.301 4.343 0 1 GIAF COC(=O)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587847544 LGTIFYWKCHPAPH-XLFHBGCDSA-N 398.297 4.234 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](C)n1nccc1C 587867119 VTBDRBYXKIVPML-ZDUSSCGKSA-N 392.381 4.374 0 1 GIAF Cc1cc(=O)oc2cc(OCC(=O)n3nc4cc3Oc3ccc(F)cc3-4)ccc12 587873733 LBTHYFPDQUMZCL-UHFFFAOYSA-N 392.342 3.929 0 1 GIAF C[C@H](c1cc(F)cc(F)c1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1 1772600870 NNXPFEMWLZLAHM-QVKFZJNVSA-N 394.421 4.395 0 1 GIAF C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc2ccccc2c1)N(C)C 1857608960 JRTJIFATICCDPS-JTSKRJEESA-N 395.572 4.304 0 1 GIAF CCC(CC)c1nc2c(N3CCNCC3)ccnc2n1Cc1cccc(Cl)c1 1857750296 OBQGLCBPRKOESD-UHFFFAOYSA-N 397.954 4.446 0 1 GIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H](CCC(C)=CC(=O)O)[C@@](C)(O)CC[C@H]21 2356332699 ISGZIAHLYCQZFM-FQFSJJOFSA-N 380.525 4.334 0 1 GIAF O=[P@](O)(Oc1cccc(Cl)c1)Oc1cccc(C[n+]2ccsc2)c1 13454821 XJAXASBRFWPUMG-UHFFFAOYSA-O 382.785 4.296 0 1 GIAF C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(CSc3nc4cc[nH]cc-4n3)cc2)C1 13496466 GHKMMLSMKXRDLD-GASCZTMLSA-N 380.517 4.320 0 1 GIAF COc1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2c1C(C)C 14945391 YTAJPEIDLGHFLU-UHFFFAOYSA-N 395.482 4.054 0 1 GIAF C[C@@H]1[C@@H](c2ccc(N(C)C)cc2)c2cc3c(cc2O[C@H]1N1CCCC1)OCO3 16958572 VEINRYGCKDRNLM-AIYSXCBHSA-N 380.488 4.064 0 1 GIAF N=C(N)c1ccc2nc(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)[nH]c2c1 26379727 WLDWWFXJFODOTC-UHFFFAOYSA-N 377.835 4.122 0 1 GIAF Cn1c(=O)c(CCO)c(-c2cc(Cl)ccc2O)c2cc(C(F)(F)F)ccc21 28525685 MBTCZBZTIMYUQY-UHFFFAOYSA-N 397.780 4.118 0 1 GIAF CC(C)CCn1c(=O)c(C2=CS(=O)(=O)c3ccccc3N2)cc2ccccc21 40975620 KUFLVOILFCALKC-UHFFFAOYSA-N 394.496 4.245 0 1 GIAF O=C(NC[C@@H](c1ccccc1)n1ccnc1)c1ccc(Cc2ccccc2)cc1 53294424 JEOYVBVVIJCTNC-DEOSSOPVSA-N 381.479 4.493 0 1 GIAF COc1ccccc1[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 71333607 MMWSZDMUNIMSOC-JOCHJYFZSA-N 379.843 4.131 0 1 GIAF CCCCNc1nc(NCc2cccc(OC)c2)nc2cc(OC)c(OC)cc12 82129340 AZQZEMYYGYLNGL-UHFFFAOYSA-N 396.491 4.480 0 1 GIAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCCC3)nc2-c2ccccc2F)C1 82152489 HHTKMTLPOQHACE-HOTGVXAUSA-N 382.483 4.001 0 1 GIAF Cc1oc(-c2ccccc2)nc1Cc1cccc([C@H]2CO[C@@](C)(C(=O)O)OC2)c1 101161333 IFEOWNWFZPXWJM-UILWBTOOSA-N 393.439 4.172 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169309530 GNWBLLYJQXKPIP-JTRWTHHWSA-N 388.596 4.334 0 1 GIAF CC1=NC(C)=C(C(=O)OCCSc2ccccc2)[C@H](C)[C@@H]1C(=O)OC(C)C 169712621 NYLPNIUHBUYLDD-LIRRHRJNSA-N 389.517 4.274 0 1 GIAF C[C@H](CC(C)(C)NC(=O)c1cnc(C2CC2)c(OCC2CC2)n1)c1ccncc1 207399424 MPGISAUDRMGDDI-OAHLLOKOSA-N 394.519 4.240 0 1 GIAF CC(C)C/C=C1\C[C@@](CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O 214297775 QVOXHUHSSXCOAL-QXQRLJAWSA-N 382.541 4.279 0 1 GIAF CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4cc(F)ccc4n3)cc2)[nH]o1 473104083 OGBPGJGBGVRAKR-UHFFFAOYSA-N 393.422 4.492 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Cl)nc(Cl)c2[nH]1 586915521 FEJZHDPRVCEQNA-VOJFVSQTSA-N 376.243 4.481 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Cl)c(Cl)nc2[nH]1 586918436 YZTBWOUPTWRGFA-ADLMAVQZSA-N 376.243 4.481 0 1 GIAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cccc(I)c2[nH]1 587196105 QRQSBNXFLYQTOK-LLVKDONJSA-N 391.256 4.385 0 1 GIAF Cc1cccc(COc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2F)c1 587368805 XOUXMYNPYXDPFA-UHFFFAOYSA-N 377.375 4.130 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc(Br)cc1Cl)O2 587371991 NQHHAKPBAFDNGH-INIZCTEOSA-N 381.657 4.269 0 1 GIAF COc1c(Br)cccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587376688 JWJVMPPJKHRHEL-GOSISDBHSA-N 376.250 4.229 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(C(F)(F)F)nn(C)c3s1)O2 587381221 CXCDQUIEJFAINL-LBPRGKRZSA-N 381.379 4.251 0 1 GIAF COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O[C@H](C)C(=O)O 587523089 NHWGVSBABXJETA-XCLFUZPHSA-N 396.439 4.132 0 1 GIAF CC(C)(C)[C@@]1(Cn2cccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582111 OBKBHXUEADGWEI-GCJKJVERSA-N 378.428 4.035 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1n[nH]cc1-c1ccccc1 587593327 IRUOZYNHUHUTCY-XXBNENTESA-N 384.391 4.485 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2oc(CO)cc2c1 587619342 WZBANTRGAVQNFF-NZQKXSOJSA-N 388.375 4.334 0 1 GIAF Cc1cc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)c(C)o1 587648585 BYMVYVAXPUAQDQ-UHFFFAOYSA-N 385.363 4.031 0 1 GIAF Cc1cc(C)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)n1 587771863 UIQRZJJRBGXHFH-ADLMAVQZSA-N 379.273 4.103 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C(c2cccnc2)(c2cccnc2)N1 587773421 IKCVPSMVFLLJPY-CYBMUJFWSA-N 398.279 4.204 0 1 GIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 587784187 FEGPQYOFHXGIEZ-QWHCGFSZSA-N 389.224 4.408 0 1 GIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(-c4ccc(N)c(N)c4)ccc3[nH]2)cc1 587788007 YUDLRUNOYJJYAH-ROUUACIJSA-N 398.466 4.338 0 1 GIAF COCOc1ccccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804967 GBVDSUJPBCNHHR-HXPMCKFVSA-N 394.284 4.369 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C[C@H](CC(=O)O)C2(C)C)N1 587825770 FHXUNNQQIZMPIR-FIJXPMFNSA-N 398.316 4.475 0 1 GIAF COc1ccc2c(c1OC)[C@]1(CCN(Cc3ccccc3)C[C@H]1F)N(C)[C@@H](C)C2 962625787 FUUFVJDQJAYIMU-XVWGUNQUSA-N 398.522 4.020 0 1 GIAF Cn1ncc2c1CC(C)(C)C[C@@]21c2cccc(F)c2CCN1[C@@H]1CCSC1 962698899 DBPKUBNWTKLFDK-IVZQSRNASA-N 385.552 4.139 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](c2cc(F)c(F)c(F)c2)(C2CCCC2)N1 962891167 CHJDXEPCYBAGJA-LAUBAEHRSA-N 393.380 4.276 0 1 GIAF CCOC(=O)c1nc(C)sc1[C@]1(C)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962945900 HJIWQTPONKXVAT-YEJXKQKISA-N 383.517 4.297 0 1 GIAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(Cl)c(Cl)c2)cc1O 1772648519 AXAJJXURMWQGRO-UONOGXRCSA-N 381.255 4.282 0 1 GIAF Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 1857635706 UVUXWUYEHXADCJ-RTBURBONSA-N 389.430 4.402 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1cccc(-n2ccnc2)c1 597414 SCKCGIGTXSIKIU-QOJBNDRUSA-N 395.459 4.074 0 1 GIAF Cc1cccc2oc(=O)c(C(C)c3c(O)c4c(C)cccc4oc3=O)c(O)c12 14591850 DVOGDIBWOOVRGI-UHFFFAOYSA-N 378.380 4.079 0 1 GIAF endogenous,in-man COc1ccc(C(=O)N/C(C(=O)N2CCCCC2)=C(/Cl)c2ccccc2)cc1 26652640 RLJHHJUZMDZDJC-FMQUCBEESA-N 398.890 4.045 0 1 GIAF O=C(CCCC(=O)c1ccccc1)NC[C@@H]1CCCN1Cc1ccc(Cl)cc1 28392493 SICSIXFZUGHYKQ-NRFANRHFSA-N 398.934 4.474 0 1 GIAF O[C@@H]1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccc(F)cc1 28468614 FLDLQCILZSMNPF-RBZQAINGSA-N 391.486 4.266 0 1 GIAF Cc1cc(C)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCCCC2)c1 34819357 MCNQPZJFPCWMBX-UHFFFAOYSA-N 382.504 4.088 0 1 GIAF NC(=O)/C(=C\c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccccc1 36761311 XAXCIEFIRJHDIW-FLIBITNWSA-N 375.211 4.199 0 1 GIAF Nc1ccccc1NC(=O)c1ccc(Nc2nccc(-c3cccnc3)n2)cc1 40420800 VWTYLHTUWJLJLV-UHFFFAOYSA-N 382.427 4.117 0 1 GIAF Cc1nc(/C=C/[C@@H]2C/C=C\CCC[C@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O2)cs1 40862720 OAXHQZGPHDPLOS-KNTXWGBASA-N 391.533 4.099 0 1 GIAF COc1ccc(COc2ccc(C(=O)[C@H]3CN=C4C=C(C)C=CN4C3)cc2)cc1 43025535 MKSVQQIAYAZCPS-FQEVSTJZSA-N 388.467 4.261 0 1 GIAF Cn1c(=O)c(Cc2ccc(F)cc2)cc2cnnc(-c3ccc(F)cc3F)c21 64426442 STLXBGCPTMFMDO-UHFFFAOYSA-N 381.357 4.004 0 1 GIAF COc1cccc(N(C)C(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1 64528320 ILODTOTVCDWNCF-UHFFFAOYSA-N 397.862 4.227 0 1 GIAF COC(=O)C(C)(C)[C@H](c1ccc(Nc2ccc(C(C)=O)cc2)cc1)n1cncn1 95561791 IIRSLIBRUAZIJO-FQEVSTJZSA-N 392.459 4.013 0 1 GIAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCC(CCCc2ccccc2)CC1 103225241 VOBKLOJXJBMNQG-DEOSSOPVSA-N 394.559 4.140 0 1 GIAF CC(C)n1cc2c(Cl)nc(NC(=O)c3ccc(C(F)(F)F)cc3)nc2n1 103263532 UKZISQOLWHKIAT-UHFFFAOYSA-N 383.761 4.332 0 1 GIAF CC1=C[C@@H]2/C=C(\C)CCCC(=O)CCC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C 139744841 YQEDSESCWJZLEZ-IYAONKFISA-N 385.548 4.394 0 1 GIAF CCCC(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccccc4C3)nc2)CC1 167053961 VLQCOTMGMUEXOT-UHFFFAOYSA-N 390.487 4.045 0 1 GIAF O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3ccc(Cl)cc3S(=O)(=O)[C@H]12 169715428 FSRXQPRYYHOMBW-VOJFVSQTSA-N 394.279 4.369 0 1 GIAF CN1C(=O)CCc2cc(-c3cncc(COc4cccc(Cl)n4)c3)c(F)cc21 221021444 LLACDVWVHFYQHP-UHFFFAOYSA-N 397.837 4.424 0 1 GIAF COC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 473167240 GWMNLBIKRRMXBM-UHFFFAOYSA-N 394.663 4.234 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1 586890965 RNJAQDWNINLCDN-PGRDOPGGSA-N 395.528 4.013 0 1 GIAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586909576 YPOQJYLTCBVSEF-QMMMGPOBSA-N 385.292 4.193 0 1 GIAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(F)c(F)c2[nH]1 586936573 IVAMWVHQRPCAJL-OAHLLOKOSA-N 399.850 4.170 0 1 GIAF CCc1c(-c2c[nH]c(C(=O)O)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989498 LNIJAFVOQXAYTP-UHFFFAOYSA-N 384.391 4.408 0 1 GIAF FC(F)(F)c1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)c(Br)cn1 587116499 ZPUOHSUXMRPCAR-UHFFFAOYSA-N 382.143 4.283 0 1 GIAF O=C1C[C@H](c2nc3cc(Cl)c(F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587150969 WOLXAONGSQGNHR-JTQLQIEISA-N 379.769 4.150 0 1 GIAF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2ccc(F)c(F)c2[nH]1 587258210 APZDQHJZUIYRBC-INIZCTEOSA-N 380.398 4.413 0 1 GIAF O=C(O)C1C[C@@H]2CC3(C[C@H]2C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 587347366 AKAUYNOCYFRQDW-CFTQMSPPSA-N 396.414 4.150 0 1 GIAF CC1(C)[C@@H](C(=O)O)C[C@H]1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356254 ZYDQXDHNIKOGKU-DYVMYPEFSA-N 398.430 4.396 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](NC(=O)OC(C)(C)C)C1)CC2=O 587470445 NHIRBPKPXHGXOO-LRTDBIEQSA-N 375.465 4.126 0 1 GIAF CC(C)(C)OC(=O)N1CC(F)(F)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587507575 QZKOGDQMRKCAEK-HXUWFJFHSA-N 393.430 4.155 0 1 GIAF COc1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587555309 GGYWJLDIAFBYJX-KNQAVFIVSA-N 396.370 4.251 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1c(F)cccc12 587569039 JUUWCGZFTLHUHQ-AVRDEDQJSA-N 378.355 4.171 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccnc2c1O 587589528 XQRIXROGFOGUQY-JPYJTQIMSA-N 385.375 4.349 0 1 GIAF Cc1ccc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)cc1Cl 587648569 BJIXILONAZLSLU-UHFFFAOYSA-N 376.865 4.094 0 1 GIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(Br)c(F)c1 587648750 ALMDLQWOBBPZOK-UHFFFAOYSA-N 382.254 4.448 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCN(c3ccccc3)C2)N1 587766695 HLDIYIDVULIYMR-ORAYPTAESA-N 375.285 4.228 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2cccnc2)N1 587771345 BWXGKOPSTSYSJW-ZMZPIMSZSA-N 377.257 4.006 0 1 GIAF CCOC(=O)c1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C 587795558 YJVRVTMFAIHSGP-HUTHGQBESA-N 395.272 4.025 0 1 GIAF CCOc1ccc(C(=O)[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587799014 AAGFLNHSVGWELV-VOJFVSQTSA-N 392.268 4.445 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@@H](C3(C)C)[C@@]2(C)O)N1 587824366 BFTCQPQQBTXCEJ-ZALSGVTASA-N 382.317 4.135 0 1 GIAF CC(C)[C@H](N)CN(CCc1c[nH]c2ccccc12)C(=O)/C=C/c1ccccc1 1857537108 NYFAPKXSEREQCG-CHHLAKQQSA-N 375.516 4.236 0 1 GIAF Cc1cc2c(O)nc(CNC(=S)SCc3ccc(F)cc3F)nc2s1 1857746478 QZQUWXLSWNJLPB-UHFFFAOYSA-N 397.497 4.291 0 1 GIAF COC(=O)C[C@H](C)CC[C@@H]1C(COC(C)=O)=CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]12C 2356606958 KJGJWCMSMYHAKT-RYBTYDDKSA-N 394.552 4.279 0 1 GIAF CCC[C@H](OC(=O)c1ccc(O)cc1)[C@H](CC)COC(=O)c1ccc(O)cc1 2356807709 YAUDIDRFMBKVPS-QRWLVFNGSA-N 386.444 4.307 0 1 GIAF CC(C)Cn1cc(C(=O)NCc2cccs2)c2c3ccccc3n(C)c2c1=O 2466256 VUUVIQFXIJHCSK-UHFFFAOYSA-N 393.512 4.141 0 3 GIAF CC(=O)c1cccc(NC(=O)N2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)c1 11998033 YFQRYFJWUGNBAK-OAHLLOKOSA-N 386.398 4.294 0 3 GIAF CCC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(C)ccc1c2=O 61921273 OJOKVCCOALHUDU-IBGZPJMESA-N 383.451 4.432 0 3 GIAF COc1ccc(-c2c(C(F)(F)F)[nH]n3c(=O)cc(-c4ccccc4)nc23)cc1 100493113 UVPIEFKZXQPGBJ-UHFFFAOYSA-N 385.345 4.384 0 3 GIAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1 775046 NUZURGYJZYBUCN-KDOFPFPSSA-N 382.435 4.285 0 1 GIAF O=C(N[C@@H]1CCc2ccccc2C1)c1cc2c(=O)oc3ccccc3c2s1 4563751 WRWYDWOUOPRSKY-OAHLLOKOSA-N 375.449 4.295 0 1 GIAF O=c1cc(-c2ccccc2)oc2cc(OCCCCN3CCC(O)CC3)ccc12 12356292 XZTTUHFKZWBHFM-UHFFFAOYSA-N 393.483 4.076 0 1 GIAF Cc1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1 13782339 SOZWYQGGNLGLTJ-UHFFFAOYSA-N 392.330 4.339 0 1 GIAF Cc1ccsc1-c1nc(C(F)(F)F)cn1-c1ccc(S(C)(=O)=O)cc1 13812864 WRSSNSVRVLLXGC-UHFFFAOYSA-N 386.420 4.332 0 1 GIAF O[C@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCNC1 26288408 FIFJMFXFFGFNHW-PSLIRLAXSA-N 378.316 4.305 0 1 GIAF O=C(N/C(C(=O)N1CCCCC1)=C(/Cl)c1ccccc1)c1ccc(F)cc1 26644204 ZGHUGXPVJNBBCN-VHEBQXMUSA-N 386.854 4.176 0 1 GIAF CCN(CC)Cc1nc(=O)c2ccccc2n1-c1cccc(C(F)(F)F)c1 27652767 URWMRDGDKOASIK-UHFFFAOYSA-N 375.394 4.246 0 1 GIAF CCC(=O)Nc1cccnc1NCc1ccc(-c2ccccc2C(=O)OC)cc1 28523553 WAGUQNWLJMFJLS-UHFFFAOYSA-N 389.455 4.496 0 1 GIAF COc1cccc(Nc2nccc(C3=C(c4ccccc4)NN4C=CC=C[C@@H]34)n2)c1 28976008 QDZRCFLKKSTOTH-NRFANRHFSA-N 395.466 4.369 0 1 GIAF Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C)(C)C(=O)O)cn1 34717743 UTPWCPSHPUKSMQ-UHFFFAOYSA-N 380.444 4.320 0 1 GIAF COc1cc(C(C)=O)ccc1OCCCN1CCC(C(=O)c2ccccc2)CC1 40505412 KWUNKUSADXFLIL-UHFFFAOYSA-N 395.499 4.262 0 1 GIAF CCCCCC[C@@H](C(C)C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)s1 40913347 ALVKHLQOYMNKPG-UONOGXRCSA-N 381.991 4.283 0 1 GIAF Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)cc31)CNCC2 64560155 IKONMEMVDHKKEA-UHFFFAOYSA-N 389.886 4.295 0 1 GIAF Cc1ccccc1C(=O)c1cccn1C/C=C/c1cccc(OCC(=O)O)c1 66251668 CHDVOZBMVVVCJJ-WEVVVXLNSA-N 375.424 4.204 0 1 GIAF CC1CCN(c2ncc(C(=O)NCc3ccccc3)c(-c3ccccc3)n2)CC1 82133413 ARYVIOPKDPXCNI-UHFFFAOYSA-N 386.499 4.310 0 1 GIAF Clc1ccccc1Nc1ccnc(Nc2ccc(N3CCOCC3)cc2)n1 89469990 SWLCIRDDAOKOHP-UHFFFAOYSA-N 381.867 4.454 0 1 GIAF Cc1cc(-c2ccccc2)n2nc(CCc3nc(-c4ccccc4)cn3C)nc2n1 113424786 GLDWIIPCINYINM-UHFFFAOYSA-N 394.482 4.285 0 1 GIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc3ccccc3s2)n1 142078098 HUSIHIHOMJMCJD-TZMCWYRMSA-N 383.477 4.241 0 1 GIAF CCCOc1cc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(C)cn1 169709321 NSXMEOFWOGVUSJ-UWJYYQICSA-N 397.519 4.034 0 1 GIAF C[C@H]1CC[C@@H](Oc2cccc(-c3nc4cc(C(=N)N)c(F)cc4[nH]3)c2O)CC1 253665582 PGCMJGUJHGYJLK-TXEJJXNPSA-N 382.439 4.316 0 1 GIAF COc1cc(OC)c2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2c1 586901145 OXZSSWWZUSOQOM-UHFFFAOYSA-N 378.384 4.232 0 1 GIAF Brc1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966374 CQOHDWQWLBJRBV-UHFFFAOYSA-N 388.250 4.063 0 1 GIAF O=C(O)c1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1F 587077503 ZNRYLKIOEAELDH-UHFFFAOYSA-N 383.766 4.488 0 1 GIAF Fc1cc(-c2nc3ccc(Br)c(F)c3[nH]2)cc(N2CCCC2)n1 587177606 PYACWRCMRXOABD-UHFFFAOYSA-N 379.208 4.266 0 1 GIAF NC1CC(Cc2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)C1 587255423 OATKCYOHNLEWJX-UHFFFAOYSA-N 386.293 4.184 0 1 GIAF CC1=C[C@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc2O1 587374026 WOEZPVLQZWBIBG-IBGZPJMESA-N 386.245 4.497 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)Nc2c(C(F)(F)F)cc(Cl)cc21 587382703 NXKPDZXHXYTRQT-KRWDZBQOSA-N 396.752 4.062 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn([C@H](C)C(=O)O)c3ccccc13)O2 587388853 BMHYGPJDNZGHPE-MCMMXHMISA-N 378.428 4.058 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)([C@H](C)N1CCCc4cc(C)ccc41)[C@@H](C2)C3=O 587443207 LLYVNXAIKPOTOO-KFSOKAEPSA-N 377.484 4.351 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](Cn1ccnc1)(c1cccc(F)c1)CC2=O 587467759 RFLUMWMODDBHRT-QFIPXVFZSA-N 380.419 4.241 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cccc1S(C)(=O)=O)CC2=O 587481320 BFSZEANOEWCXJN-INIZCTEOSA-N 394.876 4.108 0 1 GIAF CCO[C@H](C)c1ccc([C@@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587510493 KXUMUDGZBONSPT-GYCJOSAFSA-N 379.500 4.482 0 1 GIAF COc1ccc2c(c1F)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573565 ZQIMMCFLRAPUNP-CVDCTZTESA-N 392.382 4.343 0 1 GIAF Cc1cc(O[C@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)cc(C)c1Cl 587651757 YIJDSEGOUDBYQM-GFCCVEGCSA-N 391.254 4.428 0 1 GIAF CCOc1ccc(OCC)c(-c2nc3c(C)c(Br)cnc3[nH]2)c1 587779209 YTAJIQZBZDTCFS-UHFFFAOYSA-N 376.254 4.493 0 1 GIAF COC(=O)CC1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587803834 CAUIDCFHLSWILY-VQQRXRCHSA-N 384.289 4.071 0 1 GIAF Cc1nc2sccn2c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587856613 OAUJGUIRCPTKJQ-RTHLEPHNSA-N 380.286 4.229 0 1 GIAF COc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2Cl)c2ccccc12 642375599 LCIHLWCPLQJSEQ-UHFFFAOYSA-N 391.832 4.001 0 1 GIAF COc1ncc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)cc1F 962638266 KWRKPNRZDBYJAS-NFBKMPQASA-N 389.474 4.066 0 1 GIAF CC(C)c1nn(C)c2c1[C@@](CCC(=O)O)(c1cccc(Cl)c1Cl)NCC2 962907661 IARGTJOPCWXATI-LJQANCHMSA-N 396.318 4.104 0 1 GIAF COc1cccc([C@@H](C)N(C(=O)c2ccccc2)[C@@H](C(N)=O)c2ccccc2)c1 1772600676 SLBBUDXQJSUYGA-VGOFRKELSA-N 388.467 4.125 0 1 GIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3cc(OCC(C)C)ccc3C2)cc1 1772619159 FLSCATCBORIFHN-GOSISDBHSA-N 380.532 4.477 0 1 GIAF Cn1cc(C(=O)Nc2ccc3c(cnn3C)c2)c2ncc(-c3ccccc3)cc21 1857559105 KTCBTCSJDFDPMT-UHFFFAOYSA-N 381.439 4.379 0 1 GIAF Cc1cc2nc(N3CCNCC3)n(Cc3ccc(F)c(C4CC4)c3)c2cc1C 1857758874 HKNZFNKXOORLGB-UHFFFAOYSA-N 378.495 4.128 0 1 GIAF CC1(C)OC[C@H]([C@]2(C)C=C3[C@@H](CC2)[C@@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C[C@H]3O)O1 2356753129 VRLDAMQNTHAYBJ-SSPAMQFQSA-N 378.553 4.049 0 1 GIAF CCCC[C@@H]1CC[C@](CCc2ccc(O)c3c2CCCO3)(OC(C)=O)C[C@@H]1O 2356774054 PPZINCQQUQWLLM-JZWVFAODSA-N 390.520 4.303 0 1 GIAF CC[C@H](CO)Oc1cc(NC(=O)c2ccc(C)cc2)c2ncn(C(C)C)c2c1 36389255 DBZFWPFXYREQLA-QGZVFWFLSA-N 381.476 4.328 0 3 GIAF COc1ccc(CNc2nc(N3CCCCCC3)nc3c2ncn3C(C)C)cc1 591828 VAMQCZGCVYXCRQ-UHFFFAOYSA-N 394.523 4.408 0 1 GIAF O=C(O)Cc1cccc2c1O[C@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)C2=O 1646828 YELWIFSXUUARFF-GBXCKJPGSA-N 386.403 4.129 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NC[C@H](O)CC 4213358 OBLYCLPDAJCETL-MDASCCDHSA-N 398.906 4.380 0 1 GIAF Cc1ccc(NC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)cc1 8598016 UQCRBKCCVATSPI-UHFFFAOYSA-N 387.439 4.448 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 12495955 ZHCAAZIHTDCFJX-BJMHMCHXSA-N 392.580 4.478 0 1 GIAF endogenous,in-man COc1cc2[nH]c(-c3ccc4c(c3)C(=O)CCC4)cc(=O)c2cc1-c1cnco1 13487604 VENXZXKRRFGIEL-UHFFFAOYSA-N 386.407 4.378 0 1 GIAF O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccccc1Br 13488298 CKTMVJJCJZZQTH-SFHVURJKSA-N 398.256 4.028 0 1 GIAF Cc1cc(F)ccc1C[C@H](N)COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1 14961704 AMRMQCBFQCECAQ-FQEVSTJZSA-N 390.462 4.330 0 1 GIAF CS(=O)(=O)c1ccc(-c2occ(Cl)c(=O)c2-c2ccc(F)cc2)cc1 26279161 DALHZLWHRFISAI-UHFFFAOYSA-N 378.808 4.170 0 1 GIAF O=C(CN1C(=O)CS[C@H]1c1ccccc1)Nc1cc(Cl)cc(Cl)c1 28395050 IDNDVZIFFCFDDS-KRWDZBQOSA-N 381.284 4.206 0 1 GIAF COc1cccc(NC(=O)NC2CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)CC2)c1 28708677 GEFRHLMDDVXALD-UWJYYQICSA-N 383.536 4.274 0 1 GIAF Fc1ccc(Cn2c(N3CCC(n4ccnc4)CC3)nc3ccccc32)cc1 43063219 ZQXPNWSXFWKXRZ-UHFFFAOYSA-N 375.451 4.262 0 1 GIAF CCOC(=O)COc1ccc(-c2cc3cc4c(cc3o2)O[C@@H](C(C)(C)O)C4)cc1 72175813 UOZFNORMCSDERU-OAQYLSRUSA-N 396.439 4.116 0 1 GIAF CCN1CC2=C(NC(=S)N[C@@H]2c2ccccc2F)/C(=C/c2ccccc2F)C1 96282931 IQROGLXWSXUNFD-RKZJEGACSA-N 397.494 4.157 0 1 GIAF CCCCC(C)(C)[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 101349090 MZFSUBMVKUYQSC-PZGZWLNOSA-N 392.536 4.102 0 1 GIAF CCc1nnc(NC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)s1 102191104 SHQYYROWIGPPIO-YXEONTRPSA-N 384.343 4.163 0 1 GIAF O=C(O)c1cnn(-c2nc(-c3ccc(Cl)s3)cs2)c1C(F)(F)F 115474006 DLGHAVTXUDMDKJ-UHFFFAOYSA-N 379.772 4.428 0 1 GIAF Cn1c2ccccc2c2cc(CCOc3ncccc3-c3cncnc3)cnc21 169337413 HBGATUHHGJXDEW-UHFFFAOYSA-N 381.439 4.200 0 1 GIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4ncc(F)cc4[nH]3)cc2)c1C 586947647 XVYFPIPOGNVWPY-UHFFFAOYSA-N 396.447 4.182 0 1 GIAF Cc1cc(F)c2[nH]c(C[C@H]3CC(=O)Oc4cccc(Br)c43)nc2c1 587003380 KKKKNGUQUYDYQS-JTQLQIEISA-N 389.224 4.408 0 1 GIAF Brc1ccnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc12 587004803 YMXZWNNPTAQHSO-UHFFFAOYSA-N 393.042 4.026 0 1 GIAF Clc1ccccc1-c1ccc(Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 587063709 ZKFGVTFFUJMQBY-UHFFFAOYSA-N 386.846 4.450 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCc3ccc(O)cc32)[C@@H]1c1ccc(F)cc1 587356821 RPVUXWNNIWULHW-GGAORHGYSA-N 376.383 4.438 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(-c4ccc(F)cc4F)c1C)[C@@H](C2)C3=O 587425360 CCKICUJWWYTCBQ-NYHFZMIOSA-N 396.393 4.265 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3[nH]c(C(=O)OCC)c(C)c31)CC2=O 587487841 XEPXQAPKTPEWQL-QHCPKHFHSA-N 397.471 4.355 0 1 GIAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1ccc(F)cc1 587503401 FEBGWAUJPKUFFT-HSZRJFAPSA-N 391.446 4.474 0 1 GIAF COc1cc(C)c(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587590855 ZPMOPOBVDIGAGL-WIYYLYMNSA-N 391.423 4.067 0 1 GIAF O=C(O)/C=C/c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601621 DZMQSDDLRFCOBH-XKCQQAACSA-N 388.375 4.193 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3nc(Cl)ccc32)N1 587707203 UPZIUMOERIVBLD-XLFHBGCDSA-N 396.691 4.230 0 1 GIAF COC(=O)C[C@H](C)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587783380 QEOWKRINGHFZMI-SSDOTTSWSA-N 379.176 4.086 0 1 GIAF CC[C@]1([C@H](C(=O)OC)C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812365 YRLHNVLNCQSBGM-VOZBZGINSA-N 386.305 4.173 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccccc1C 587867583 KOYJDILETHUSBP-UHFFFAOYSA-N 375.350 4.164 0 1 GIAF CC[C@H](Cc1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1)C(=O)O 653805885 YXMOEHIXSLPFBY-CYBMUJFWSA-N 397.368 4.428 0 1 GIAF COc1cccc([C@H]2NCCc3ccc(F)c(C)c32)c1OCc1ccccn1 962369967 CEQGFHMYHQLENP-JOCHJYFZSA-N 378.447 4.352 0 1 GIAF COC(=O)CC[C@]1(C(C)C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640578 RANPQRNXJXYBHQ-DHLKQENFSA-N 392.543 4.238 0 1 GIAF CCOc1cccc([C@]2(C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962697082 KWBXBYKYIWNRJS-MJGOQNOKSA-N 397.368 4.106 0 1 GIAF Cc1cc2nc(CO[C@@H]3CN(Cc4ccc(F)c(F)c4)C[C@H]3F)[nH]c2cc1C 2356299656 KVKLTXXMQYSFHZ-YLJYHZDGSA-N 389.421 4.197 0 1 GIAF CC(=O)O[C@@H]1C[C@@H]2[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]2(C)[C@]2(C)[C@H](O)C=C[C@@H]12 2356399264 RCMYBWOAYFVOPI-YWDHGPSTSA-N 388.548 4.303 0 1 GIAF S=C1NC[C@H](Cc2ccccc2)N1CC1CCN(CCCC2CCCC2)CC1 61936207 WHCODFGRJZMPJH-QHCPKHFHSA-N 399.648 4.470 0 3 GIAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccccc1OC 4153241 AXAKMPSWSCCBBB-UNMCSNQZSA-N 396.487 4.102 0 1 GIAF CCCNC(=O)Cn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12 4661731 MWYFDRCLIPYVQU-UHFFFAOYSA-O 393.470 4.102 0 1 GIAF CCN1CCCC[C@H]1c1ccc(-c2cc(S(=O)(=O)CC)ccc2OC)[nH]1 28236442 RWJCXWVQRSSDLR-IBGZPJMESA-N 376.522 4.031 0 1 GIAF CC(C)N1C(=O)C(c2ccccc2)(c2ccccc2)[C@@]12C(=O)N(C)c1ccccc12 40935319 BXCXTAICHCCILD-AREMUKBSSA-N 396.490 4.095 0 1 GIAF CCCc1cc(N2CC[C@@H](N(CC)CC)C2)nc(Nc2ccc(OC)cc2)n1 45323631 REXZXSKMQDXGTM-LJQANCHMSA-N 383.540 4.102 0 1 GIAF N[C@H]1CN(c2nccc(-c3ccccc3)n2)C[C@H]1c1ccc(Cl)cc1Cl 58692517 ANEZVMLVQSLOFS-WMZOPIPTSA-N 385.298 4.382 0 1 GIAF O=C(c1ccc(-c2ccc3c(c2)CCN(CCN2CCCC2)C3=O)cc1)C1CC1 59112270 IXGOGVFDYFVFOF-UHFFFAOYSA-N 388.511 4.040 0 1 GIAF CCOc1cc(CCNc2cncc(Oc3ccccc3F)n2)ccc1OC 82068600 LUUMKANWRPMMCI-UHFFFAOYSA-N 383.423 4.470 0 1 GIAF CCc1nc(C(=O)N2CCC[C@@H](C(=O)OCCC3CCCCC3)C2)cs1 82069671 YACVNKCJSDUKKN-MRXNPFEDSA-N 378.538 4.071 0 1 GIAF Nc1ccc(/C=C/c2cc(=O)c3cc([125I])ccc3o2)cc1 101080006 BPBMAJAZUBZQED-YGZMEPAVSA-N 387.193 4.150 0 1 GIAF NCCCCCCN1CCN(CCCCCCCOc2ccccc2)CC1 103192193 FFZAERDZKVEECQ-UHFFFAOYSA-N 375.601 4.153 0 1 GIAF CNc1nnc(-c2ccc3[nH]cc(-c4csc(-n5cnc(C)c5)n4)c3c2)s1 204768582 FNYHEMYACVRIOE-UHFFFAOYSA-N 393.501 4.346 0 1 GIAF Nc1ncc(-c2ccc(-c3ccccc3Sc3ccnc(N)n3)cc2F)cn1 224769849 YIQDUVXZXVBBKE-UHFFFAOYSA-N 390.447 4.055 0 1 GIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 586973956 SJDRYUWEWSBONR-HNNXBMFYSA-N 394.422 4.087 0 1 GIAF Nc1ccccc1C(=O)OCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104950 XPRHHDVDDPJEMT-UHFFFAOYSA-N 380.403 4.385 0 1 GIAF COC(=O)c1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2n1 587127895 CPPGUEVVOREPDN-UHFFFAOYSA-N 386.383 4.473 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(C)nccc4[nH]3)c(F)c2)c1 587147771 ZNTCEGXYAKLHEL-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF COC(=O)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2n1 587150954 VJMHNPYDEXQAGA-GOSISDBHSA-N 376.391 4.085 0 1 GIAF COc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1OC 587226794 SWJWDOJWLIIRCJ-KRWDZBQOSA-N 375.469 4.336 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(C[C@@H]3CCC[C@H](C1)N3Cc1ccccc1)O2 587401618 ULBWIACJPREDCR-QRQCMCJISA-N 376.500 4.498 0 1 GIAF CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587507618 NNMZDBRWCHAUFB-PGRDOPGGSA-N 389.467 4.248 0 1 GIAF C[C@@]1(c2ccc(N3CCC(O)CC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515302 SAZOSIWJDLBYEA-VWLOTQADSA-N 391.511 4.407 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1occc1Br 587540589 PMVJPAAULSIMKX-KSSFIOAISA-N 387.185 4.451 0 1 GIAF Cc1ccc(OC(F)F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587553561 FUPGXIZZFJXYCS-JXFKEZNVSA-N 399.349 4.400 0 1 GIAF COc1cc(C)c(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587590854 ZPMOPOBVDIGAGL-RXVVDRJESA-N 391.423 4.067 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N2CCCCCC2)N1 587765544 JWJPTMXMPADMPQ-BFUOFWGJSA-N 397.332 4.130 0 1 GIAF COc1ccc(OC)c(-c2nc3cc(Br)cc(C)c3[nH]2)c1OC 587796236 PQRAXJCFDPQECS-UHFFFAOYSA-N 377.238 4.327 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cc(C(=O)O)ccc32)N1 587825983 JADSZNAWEMPMRK-APBUJDDRSA-N 390.252 4.010 0 1 GIAF COc1cc(C)c(OC)n1-c1ccc(F)c(C(=O)OCc2ccccc2)c1F 587943419 AEBRKPHCBLDHBG-UHFFFAOYSA-N 387.382 4.438 0 1 GIAF COc1ccc(C[C@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)c(F)c1OC 653765624 WCBVUNGSCRLULK-INIZCTEOSA-N 388.435 4.312 0 1 GIAF COc1ccc2c(c1)[C@@]1(C=CN2C)c2cccc(F)c2CCN1[C@H]1CCSC1 962713654 SHYSVKULLQCZOQ-QMHKHESXSA-N 396.531 4.405 0 1 GIAF O=C(O)C1=CN(Cc2ccccc2)C=C(C(=O)O)C1c1cc2ccccc2s1 1857600121 NRHJQLPBVJCNAA-UHFFFAOYSA-N 391.448 4.438 0 1 GIAF CCO[C@H]1C=C(CC[C@]2(C)[C@@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@H]32)C(=O)O1 1857767407 CFACVVLHXSQXMD-QXGXDSNISA-N 376.493 4.476 0 1 GIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@H](O)C[C@@H]1[C@H](C)C[C@@H](C=C(C)C)OC(C)=O 2356560847 HNCJOYGJZXFKBQ-DAHSGPHPSA-N 380.525 4.196 0 1 GIAF NC(=O)c1cccc(-c2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)c1 206056362 UHKRDTMFYAMZPG-UHFFFAOYSA-N 398.344 4.061 0 3 GIAF CN(C)C(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(Cl)cc1F 772815 DOJBUIVCLZKHJK-NVXWUHKLSA-N 381.234 4.313 0 1 GIAF CC1(C)CC(=O)[C@H]2C(=Nc3cc4c(cc3[C@@H]2c2ccc3c(c2)OCO3)OCO4)C1 2492690 MJCORWPEGJFHQI-FCHUYYIVSA-N 391.423 4.367 0 1 GIAF COc1ccc([C@H](C)Cn2ccnc2NC#N)cc1OC1Cc2ccccc2C1 3992390 ISVRFRJMIDSUOC-MRXNPFEDSA-N 388.471 4.135 0 1 GIAF C[C@@H]1[C@H](O)C[C@]2(C)[C@H](C)C(=O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1 13300844 OFOSZWHCKXZUKF-SBJVXRJBSA-N 398.499 4.200 0 1 GIAF biogenic OC[C@H]1O[C@H](c2ccc3c(c2)OCO3)C=C[C@@H]1Oc1cc(Cl)cc(Cl)c1 13783163 JONOAXKZHQFNEU-VDZJLULYSA-N 395.238 4.158 0 1 GIAF CC[C@H]1CC2(C[C@@H](CC)N1)C(=O)N(Cc1ccccc1)C(=O)N2c1ccccc1 28971279 FUFYUAFRDIRSHD-VXMMSVGHSA-N 391.515 4.335 0 1 GIAF CCCCOC(C(=O)OC[C@@H]1CCCN1C)(c1ccccc1)c1ccccc1 31622936 QVNJEEFCKACCQR-QFIPXVFZSA-N 381.516 4.384 0 1 GIAF Brc1cnc(NCc2ccccc2)nc1Nc1cc(C2CC2)[nH]n1 40424394 IZEZSPVHWUPXAH-UHFFFAOYSA-N 385.269 4.195 0 1 GIAF CC1=NN(C(=O)Nc2ccc(C)cc2)C(C)=NN1C(=O)Nc1ccc(C)cc1 40505805 DCUQGRMJMCRWDK-UHFFFAOYSA-N 378.436 4.352 0 1 GIAF CO[C@H]1CCCc2c1c(=O)c(C(=O)O)cn2Cc1ccc(-c2ccccc2)cc1 49072446 YTOFSRLOIAPAPB-NRFANRHFSA-N 389.451 4.286 0 1 GIAF O[C@H](CCN1CCC(O)(Cc2ccccc2)CC1)c1csc2ccccc12 84652239 SSEWYSOPUMSOTB-OAQYLSRUSA-N 381.541 4.394 0 1 GIAF Cc1cccc(-c2[nH]c(CNc3ccccc3)nc2-c2ccc3ncnn3c2)n1 113391375 BAYDLRQIJDJZJS-UHFFFAOYSA-N 381.443 4.102 0 1 GIAF CC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1ccccc1 117299539 ORIOBRKWKIRCSM-NUNAXRQHSA-N 378.516 4.151 0 1 GIAF COc1ccc(C(=O)N(C)[C@@H]2CCN3CCc4c([nH]c5ccccc45)[C@@H]3C2)cc1 169322547 DCBJAAZNADKBOQ-VGSWGCGISA-N 389.499 4.010 0 1 GIAF COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCC[C@H]4[C@@H]3C2=O)c1 263604108 OHMBYDILZVAUPW-RFZJPIJTSA-N 386.451 4.347 0 1 GIAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 586889924 OCRIAIAZFZGRGI-HWPZZCPQSA-N 389.249 4.169 0 1 GIAF COC(=O)[C@H]1c2ccccc2-c2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586991924 LEKJUWVTNWMCHF-IBGZPJMESA-N 393.398 4.437 0 1 GIAF COc1nccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c12 587030578 FZVLQXVTNCCBAA-UHFFFAOYSA-N 375.251 4.193 0 1 GIAF COc1cc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2cc1Cl 587142446 AQNOBYKEENGNCC-GFCCVEGCSA-N 398.663 4.369 0 1 GIAF O=S(=O)(O)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587145700 OQUAJYFJOQIHOR-UHFFFAOYSA-N 382.416 4.207 0 1 GIAF Nc1ccnc2[nH]c(Cn3nc(C4CC4)c4c(-c5ccc(F)cc5)ccnc43)nc12 587165835 LSTAFJOYSOGJNX-UHFFFAOYSA-N 399.433 4.017 0 1 GIAF COc1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cc1C 587198010 DFZVYYUTRVGCIC-UHFFFAOYSA-N 386.455 4.406 0 1 GIAF COc1cccc(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587335876 ILAFPCCOHOSELH-GGAORHGYSA-N 393.414 4.295 0 1 GIAF CC1(C)[C@@H](C(=O)O)C[C@H]1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356256 ZYDQXDHNIKOGKU-UYCVCSCRSA-N 398.430 4.396 0 1 GIAF COc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587567122 DTQLVSGIAQXIID-PGRDOPGGSA-N 380.371 4.417 0 1 GIAF C[C@]1(c2ccnn2-c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578853 BKMXMOOAJIDPAS-ZJSXRUAMSA-N 398.418 4.455 0 1 GIAF CCOC(=O)[C@@H]1[C@H](C)CC=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587792760 CQRTWXJGLXJMKF-NCPSFGDWSA-N 396.300 4.093 0 1 GIAF CCOC(=O)[C@H](C(C)C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587797079 LQNGLAWGDWJSIK-DPZKZMLUSA-N 386.305 4.173 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccccc1CO 587864253 IGLQWSAUTTXVNB-UHFFFAOYSA-N 390.361 4.148 0 1 GIAF O=C(O)CCc1ccc(-c2ccccc2)n1-c1nc(N2CCCCC2)ncc1F 587944183 CLBOOWAPVBBAIE-UHFFFAOYSA-N 394.450 4.081 0 1 GIAF COC(=O)CC[C@]1(c2ccccc2N)NCCc2cc(-c3ccccc3)ccc21 962673298 YFBLDAANFOJUEX-VWLOTQADSA-N 386.495 4.278 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1ccc(Br)s1 963611952 RGJRVOJUHILBON-BMLIUANNSA-N 382.323 4.326 0 1 GIAF c1ccc(-c2nc3sc4ccccc4n3c2COCCCn2cncn2)cc1 1857637650 PAPAJKKOJRASMW-UHFFFAOYSA-N 389.484 4.414 0 1 GIAF COc1ccc(CN2C(=O)[C@@](C)(O)c3cc(-c4ccc(OC)cc4)ccc32)cc1 1857771421 KLRYXALRASRZSZ-DEOSSOPVSA-N 389.451 4.125 0 1 GIAF COc1ccc(OC[C@H]2c3cccn3CCN2C(=O)c2cccc(Cl)c2)cc1 1911573010 MSEYNGCVBYZQIF-NRFANRHFSA-N 396.874 4.426 0 1 GIAF Cc1c2c(c(O)c3c1O[C@]1(C)CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]1C3)C(=O)OC2 2356369810 IRHNVLPQCCHRLJ-HLIDXEPVSA-N 398.499 4.486 0 1 GIAF COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)C[C@@H]2CC[C@H]1N2C 36384350 MRBSJQKOZYLBIC-FXAWDEMLSA-N 381.447 4.198 0 3 GIAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccccc1 774016 UFVXXZQCJLYHDG-HNAYVOBHSA-N 394.471 4.154 0 1 GIAF CC(=O)OC[C@]1(C)C[C@H](O)C[C@]2(C)[C@H](CC[C@@H](C)CC(=O)O)C(C)=CC[C@H]12 13330242 GXBYKTXXIICGPG-WBBSLOJNSA-N 380.525 4.190 0 1 GIAF biogenic COC(=O)[C@@H]1[C@@H](O[C@H](c2ccccc2)c2ccc(C)cc2)C[C@H]2CC[C@@H]1N2C 13745727 KVVSZDPIQNKZIJ-OOYIDZMOSA-N 379.500 4.125 0 1 GIAF CN(C)C(=O)c1cc(-c2ccccc2)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1 14955477 XELNXCJTRAIQOD-UHFFFAOYSA-N 398.466 4.193 0 1 GIAF CCc1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2ccccc2-3)no1 26380633 QVOGVRBXFZWOIT-UHFFFAOYSA-N 389.846 4.489 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)NC(C)(C)C)[C@@H]3CC[C@H]12 26381003 RIGMJQYSJWLGJZ-BKIXWFFKSA-N 386.580 4.157 0 1 GIAF C[C@@H]1CCCN(c2ccccc2[C@@H](C)NC(=O)Cc2ccc(C(=O)O)cc2)C1 27563329 CVCBNPONPMIIDX-IAGOWNOFSA-N 380.488 4.041 0 1 GIAF COc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1 40867040 QQNYXAGTHKTAIZ-UHFFFAOYSA-N 381.819 4.248 0 1 GIAF CC(C)NC(=N)c1ccc(O)c(-c2cc3cc(C(=N)NC(C)C)ccc3o2)c1 40940069 DWUARDLAJYBUQZ-UHFFFAOYSA-N 378.476 4.452 0 1 GIAF O=C1CN(S(=O)(=O)c2cccc(Cl)c2)c2ccccc2-c2ccccc21 40972741 SRHFJWUZNPRDAC-UHFFFAOYSA-N 383.856 4.399 0 1 GIAF C[C@]1([C@@H](O)c2ccc(Cl)cc2)OC(=S)N(c2ccc(Cl)cc2)C1=O 72178066 RMLMOCIFGRMCJA-WMLDXEAASA-N 382.268 4.134 0 1 GIAF COc1c(OCCN2CCCCC2)cc2oc(-c3ccccc3)cc(=O)c2c1O 73163977 KYGANTGKOHKDFT-UHFFFAOYSA-N 395.455 4.039 0 1 GIAF Cc1cc(Br)c2[nH]c(C3(c4ccc(O)cc4)CCOCC3)nc2c1 586912028 BXYZFKAARCMDIE-UHFFFAOYSA-N 387.277 4.436 0 1 GIAF CCCCc1cc(=O)oc2cc(OCc3nc4cccc(C(=O)O)c4[nH]3)ccc12 586917580 DGRMMBVBSFXQLY-UHFFFAOYSA-N 392.411 4.289 0 1 GIAF Cc1ccc(-n2cnnc2SCc2nc3ccnc(Cl)c3[nH]2)cc1Cl 586968833 WUXCHGCHHLDYOS-UHFFFAOYSA-N 391.287 4.446 0 1 GIAF Cc1onc(-c2nc3ncnc(Cl)c3[nH]2)c1COc1ccc(Cl)cc1 587075894 MHFYNGAOBGPOQJ-UHFFFAOYSA-N 376.203 4.202 0 1 GIAF FC(F)(F)CSc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)ccn1 587092278 BWJTVUJOSOHEHP-UHFFFAOYSA-N 381.379 4.441 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)C1CCCC1 587227532 ZFCYMNXWDOXLFU-CQSZACIVSA-N 377.416 4.156 0 1 GIAF CC1(C)[C@H]2C[C@H]1[C@](C)(O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346815 AJVUKXMVTFSSAH-IKCAYHITSA-N 396.458 4.446 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCc4c(F)cc(Br)cc41)[C@@H](C2)C3=O 587426271 AGAYKNVQWVTLAS-IFXJQAMLSA-N 389.220 4.186 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(Br)ccc(F)c1F)[C@@H](C2)C3=O 587426432 NNZKRCHHPFPEOO-HUTHGQBESA-N 381.172 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@@](C(=O)c1ccsc1)(c1ccsc1)[C@@H](C2)C3=O 587453429 QMXATIUZKSMWNI-YWZLYKJASA-N 382.462 4.344 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)ncc1F)CC2=O 587471647 LTIOOOPIRNHMNN-OAHLLOKOSA-N 380.213 4.348 0 1 GIAF CN1C(=O)CCc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587518291 FAMJSVFLFAKMMK-XMMPIXPASA-N 375.468 4.355 0 1 GIAF CCCCn1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587582601 QDTWPOSDQHNYEN-KNQAVFIVSA-N 378.428 4.400 0 1 GIAF CCn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C2CC2)n1 587583668 WKTSRNLRKYVFQK-PGRDOPGGSA-N 376.412 4.189 0 1 GIAF C[S@](=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587605054 AUDKVEXAHWNADV-AZCYMXHYSA-N 394.448 4.007 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC=C2Br)N1 587687663 ZOCHWOOLHBQVAV-CLAHSXSESA-N 375.079 4.390 0 1 GIAF COc1cc(F)cc(F)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587714523 AIWGMJYOZBKSBN-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF CC(=O)Nc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587742377 KTZCTYRGVUGMKA-JEOXALJRSA-N 391.284 4.479 0 1 GIAF CCOC(=O)[C@@H]1CCCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587799221 RCYQKUBFYCCZDA-SPKLELGKSA-N 398.316 4.461 0 1 GIAF COc1cc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587809983 VWOHGFIWSMKOMR-WLRWDXFRSA-N 394.284 4.295 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=N)c1cc(F)cc(F)c1 587869048 ZDMDKGOUFZSZLU-UHFFFAOYSA-N 382.292 4.124 0 1 GIAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1ccc(Br)cn1 962706791 OOOJHTAJGMLCKQ-ACJLOTCBSA-N 393.325 4.436 0 1 GIAF CC(C)(CCc1ccncc1)[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962979309 SEHQYZNBYHSQGC-YJBOKZPZSA-N 394.849 4.312 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@]2(CCC(=O)O)c1cc(C)sc1C 963269946 MZKFFAITHJSUTM-LJQANCHMSA-N 379.909 4.281 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2C1(NC(=O)OC(C)(C)C)CCCC1 963610262 OSQRGLCFLMBMEA-IFXJQAMLSA-N 390.524 4.117 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1coc2cc(C)c(C)cc2c1=O 963632636 GELFOBWQTLEDPX-RCDICMHDSA-N 379.456 4.051 0 1 GIAF CCCn1nnc(-c2ccccc2)c1C(=O)Nc1ccc(N(CC)CC)cc1 1857555749 RUEOXVNHMOBUFZ-UHFFFAOYSA-N 377.492 4.454 0 1 GIAF O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2cccc(O)c2)CC1 1911584463 VTFCCULQZSPYFJ-UHFFFAOYSA-N 393.270 4.190 0 1 GIAF CC=C(C)C(=O)OCC1=C[C@H](O)[C@H](C(C)C)[C@@H](OC(C)=O)CC(C)=CCC1 2356574310 VGTTVAAIDFWDEA-ACRUOGEOSA-N 378.509 4.117 0 1 GIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@]3(C)C[C@H]4CC[C@@]3(CC[C@@]12C)C[C@]4(O)CO 2356692509 YMOUBIDEGPSLHS-DEENEOIWSA-N 378.553 4.076 0 1 GIAF COc1cc(CCC(=O)C[C@H](CC[C@@H]2C=CC=C[C@@H]2C)OC(C)=O)ccc1O 2356776469 WVDQLESPUBZZMA-LRQRDZAKSA-N 386.488 4.383 0 1 GIAF CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1cncc1O 2356862257 UYINZFVHZKRNQK-UHFFFAOYSA-N 392.670 4.308 0 1 GIAF Cc1cc(=O)c(Oc2ccc(F)cc2C)c(-c2ccc(S(C)(=O)=O)cc2)o1 592871 OETIMMSWPHDTTA-UHFFFAOYSA-N 388.416 4.259 0 1 GIAF CC1(C)C[C@H](NCc2cccc(C(F)(F)F)c2)c2cc(C(N)=O)ccc2O1 763052 BCCLHPMSXKUMRF-INIZCTEOSA-N 378.394 4.196 0 1 GIAF COC(=O)CCC1(NS(=O)(=O)c2ccc(C)cc2)CCC(C(C)(C)C)CC1 1615490 QAWQTGMYEBLYNB-UHFFFAOYSA-N 395.565 4.202 0 1 GIAF COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1c(C)c3c(c(C)c1C2=O)CCC3 5539847 LINJHLJVJTZHFG-RDPSFJRHSA-N 388.467 4.306 0 1 GIAF CCCC[C@H](NC(=O)OCC(C)(C)CC)C(=O)C(=O)N[C@H](C)c1ccccc1 13583743 YBAFPPBBTCNFMR-AEFFLSMTSA-N 390.524 4.154 0 1 GIAF O=C(CCNC(=S)Nc1ccc(Br)cn1)c1ccccc1Cl 14943874 XIIOAQCZRAHEDV-UHFFFAOYSA-N 398.713 4.057 0 1 GIAF Nc1ncnc2nc(-c3nccs3)c(Cc3cccc(Br)c3)cc12 28477271 VQZGPFFVGVAMHE-UHFFFAOYSA-N 398.289 4.084 0 1 GIAF CC(C)CNc1ncnc2c1nc(-c1ccsc1)n2CC[C@@H]1CCCN1C 82177968 JZNXZKJWGWTLHM-INIZCTEOSA-N 384.553 4.107 0 1 GIAF O=C(C1CCC(C(F)(F)F)CC1)N1CC(c2nc(-c3cccc(F)c3)no2)C1 95572552 WCQUFDJNNYCFES-UHFFFAOYSA-N 397.372 4.170 0 1 GIAF O=C(Nc1ccc(F)c(CF)n1)c1cc(Cl)cc(Oc2cncnc2)c1 96939144 XHKOODWMHYSQAC-UHFFFAOYSA-N 376.750 4.178 0 1 GIAF CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1 101505831 DIRKDNYXNPECEK-CALCHBBNSA-N 398.378 4.200 0 1 GIAF CCc1nn(C)c(C(=O)NCc2ccc(COc3ccc(C)cc3)cc2)c1Cl 103275617 WSSARVLUZBQPLY-UHFFFAOYSA-N 397.906 4.453 0 1 GIAF O=C(O)c1csc(-n2nc(-c3ccccc3)c3ccc(C(F)(F)F)nc32)n1 116403991 VNWZLHBHVRUTKF-UHFFFAOYSA-N 390.346 4.261 0 1 GIAF CN(C)c1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140184239 XYLIYOQVCYCMJA-UHFFFAOYSA-N 381.483 4.362 0 1 GIAF COc1ccccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 141175736 GFZXWQNVRZCTLO-UHFFFAOYSA-N 383.455 4.395 0 1 GIAF CCOC(=O)CCCOc1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144774302 DLKKPROQZSVFBD-IBGZPJMESA-N 380.362 4.187 0 1 GIAF CN(C(=O)c1ccc(F)cc1)[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169322549 IERRJLVIHSSJAA-UWJYYQICSA-N 377.463 4.141 0 1 GIAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(Cl)cc1 169723989 OQNMQRQHEXQGMT-NVXWUHKLSA-N 377.868 4.303 0 1 GIAF CN(C)CCOc1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587018126 WIWJKKDNZSBJGC-UHFFFAOYSA-N 399.907 4.342 0 1 GIAF C[C@H](c1nc2ccc(C(=N)N)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587130291 RXQKZDQWIYFSCB-RXMQYKEDSA-N 388.756 4.181 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccc(OC)c1)CC2=O 587468150 IKKRFXVWAQCIDA-MDRMPYQZSA-N 381.472 4.289 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C(=O)O)(c1ccc3c(c1)CCCC3)CC2=O 587490975 TVJWQAYBLBSNDI-QHCPKHFHSA-N 380.440 4.169 0 1 GIAF CCOC(=O)C[C@@]1(C2CCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596779 OTXZIEZPYZNRKW-REWPJTCUSA-N 396.439 4.236 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccn2-c2ccccc2)N1 587758488 XTEOZHANSLCOJV-XIKOKIGWSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccncc2)N1 587778951 PBJUPXQOTZDQOE-VOJFVSQTSA-N 377.257 4.006 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(=O)Nc3ccccc32)N1 587794652 PFNQTZOPXZZDBH-JEOXALJRSA-N 389.268 4.098 0 1 GIAF COc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1O 587808834 QWFGTMRUURKZKR-MGNBDDOMSA-N 380.257 4.100 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2OCCCO3)N1 587834829 MOKQKPQLEZEHHZ-BBATYDOGSA-N 392.268 4.373 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nnc(Cl)cc1N 587855137 JNQNNESEQUAKJX-UHFFFAOYSA-N 384.654 4.270 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2cccs2)[nH]n1 587872792 QPPZTCOVIRNEME-UHFFFAOYSA-N 382.420 4.228 0 1 GIAF COc1ccccc1-c1nnc(Nc2ccc(CC(N)=O)cc2)c2ccsc12 1857598902 GUSBXGWPTABWFE-UHFFFAOYSA-N 390.468 4.138 0 1 GIAF COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccc(C)cc3)o1)CC2 1857644423 GSBOALPRYHLGRF-UHFFFAOYSA-N 377.440 4.471 0 1 GIAF Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3)sc2ccccc12 596508 OXMSFBSPAWXFTQ-JXMROGBWSA-N 391.496 4.161 0 1 GIAF O=C(NCCO)c1c(-c2ccccc2F)noc1-c1cccc2ccccc12 2483196 OQMFNMMRLIGGHJ-UHFFFAOYSA-N 376.387 4.023 0 1 GIAF NC1=N[C@H](c2ccc(Oc3ccccc3)cc2)N(c2ccc(Cl)cc2)C(N)=N1 13559309 SHTBKDRNGQHNDH-IBGZPJMESA-N 391.862 4.281 0 1 GIAF NC(=O)c1ccc2[nH]c(-c3ccc(Oc4ccc(Cl)c(O)c4)cc3)nc2c1 13612098 RQKQQACLXABERV-UHFFFAOYSA-N 379.803 4.480 0 1 GIAF COC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@H]1O2 13764453 IXQQMWIAXLMOHP-YRPNKDGESA-N 388.410 4.180 0 1 GIAF CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2[C@H](OC(=O)c2ccc3c(c2)OCO3)C1 14956461 BQGTYCZFWMVNFB-SKWRMQMOSA-N 386.488 4.484 0 1 GIAF biogenic COc1ccc([C@@H](N)[C@@H](N)c2c(Cl)cc(OC)cc2Cl)c(Cl)c1 22931051 VTAKBMQYRCVUKQ-CVEARBPZSA-N 375.683 4.364 0 1 GIAF CN(C)c1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)ccc23)cc1 28959776 BMHFQIHPHJDVOI-UHFFFAOYSA-N 383.455 4.205 0 1 GIAF COC(=O)C1=C[C@H]2C(=O)c3ccccc3[C@]1(c1ccccc1)N2C1CCCCC1 31898906 ZKADLOXAHFISDD-DHLKQENFSA-N 387.479 4.243 0 1 GIAF Cc1nn(-c2ccc(Cl)cn2)cc1CN1CCC2(CC1)OCc1ccccc12 40394529 PASBRRPWIUSWTM-UHFFFAOYSA-N 394.906 4.251 0 1 GIAF Nc1nc(N)c2c(n1)N[C@@H](c1ccc(Cl)cc1)[C@H]1CCc3ccccc3C1=N2 53298747 MSMNHRUJBYREDU-CVEARBPZSA-N 390.878 4.144 0 1 GIAF CCc1ccc(OC(=O)C(Br)(C(F)(F)F)C(F)(F)F)cc1 68573954 TXMSEQWPKFJJDN-UHFFFAOYSA-N 379.094 4.413 0 1 GIAF biogenic CN1C(=O)c2cc(C(=O)NCc3ccccc3)nc3c(Cl)cc(Cl)c1c23 73198877 QMQRWHDSXZRHRJ-UHFFFAOYSA-N 386.238 4.062 0 1 GIAF CC1(C)OC(c2ccc(S(C)(=O)=O)c(Cl)c2)=C(c2cccc(F)c2)C1=O 81971379 VIPCHVHMVSWNRQ-UHFFFAOYSA-N 394.851 4.129 0 1 GIAF C[C@@H]1CC[C@H]2[C@@]3(C)COC(C)(C)O[C@H]3CC[C@@]2(C)[C@]12CC[C@@]1(COC(=O)C1)O2 82077834 MFCIMOFKLLMGJA-VLMIAZFOSA-N 392.536 4.225 0 1 GIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc(C=O)cc3)C[C@@H]1O2 95553386 ZGUNEAKYTZXYFR-MPHOGZCYSA-N 393.483 4.131 0 1 GIAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc(C(C)C)nn12 96933391 FBOBBIQRVQOSMF-UHFFFAOYSA-N 379.247 4.420 0 1 GIAF c1cnc(N2CCN(CC[C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)nc1 100788538 NHQJFVWHLAYQQH-BGYRXZFFSA-N 389.547 4.444 0 1 GIAF CC[C@]1(C(=O)NCCc2ccc(Br)cc2)[C@H](C)C1(Cl)Cl 103272532 RIDBZEQVJVKESF-IINYFYTJSA-N 379.125 4.328 0 1 GIAF CN(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(N)c32)cc1 104689658 PEWSMPYXRPXUIR-HNNXBMFYSA-N 395.532 4.264 0 1 GIAF COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cc2F)cn1 117428324 IDCXHTGCSOGOJL-UHFFFAOYSA-N 377.423 4.012 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(C(C)=O)cc3)cc2)C[C@@H]2CC[C@@H]1N2C 137093219 QOGDDOWLBRAWFT-BJESRGMDSA-N 377.484 4.296 0 1 GIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc3ncccc3c2)n1 142087857 RPDPIVMGFPNADT-KBXCAEBGSA-N 377.448 4.179 0 1 GIAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(C(C)(C)O)ccc3Cl)nnc12 145743880 YSOPRYBMOLFGCE-UHFFFAOYSA-N 393.878 4.406 0 1 GIAF c1ccc(Nc2cc(-c3nc(N[C@@H]4CCNC4)c4sccc4n3)ccn2)cc1 148975775 MEQUZFZZUCSXFH-MRXNPFEDSA-N 388.500 4.271 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cccc(OC(F)F)c1 166829748 KVUGNCAMECQIRX-BBRMVZONSA-N 391.414 4.415 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885487 VECTUOXYWILHAI-JTHWQDLVSA-N 375.266 4.491 0 1 GIAF O=C(O)Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586990047 IGNADIGQIHZMIN-UHFFFAOYSA-N 381.387 4.446 0 1 GIAF Clc1ccc(Br)nc1-c1nc2cncc(Br)c2[nH]1 587005047 KNOSORGNEVXJOE-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)s1 587023435 PVGPKBPDQRGWRZ-UHFFFAOYSA-N 385.371 4.447 0 1 GIAF Cc1csc([C@](O)(Cc2nc3ccc(Cl)c(C)c3[nH]2)C(F)(F)F)n1 587094715 UAYKEGCRFLEFAN-CQSZACIVSA-N 375.803 4.282 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(O)c4[nH]3)cc2F)c1 587143843 LVUQAMBXNORKIR-UHFFFAOYSA-N 378.359 4.448 0 1 GIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Br)c(F)cc2[nH]1 587174373 ITQSDTIDUJQEMX-ZDUSSCGKSA-N 391.219 4.327 0 1 GIAF COc1ccc(-c2nc3cc(C)cc(F)c3[nH]2)c(I)c1 587179659 FHTDNHYMMNRKPE-UHFFFAOYSA-N 382.176 4.291 0 1 GIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cncc(Cl)c3[nH]2)c(O)c1 587240026 FEBNOOJAMJKINV-UHFFFAOYSA-N 392.846 4.474 0 1 GIAF NC[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335162 VPJMYNRMUBBJBV-IFMALSPDSA-N 397.833 4.398 0 1 GIAF Cc1ccc([C@@]2(c3ccccc3C(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587408213 OGHLSMABWKKCSQ-XMMPIXPASA-N 387.435 4.493 0 1 GIAF O=C1C[C@H](c2cnc3cnc(Br)cn23)Oc2c1ccc1c2CCCC1 587500287 VVCNOVSSHVBLGO-MRXNPFEDSA-N 398.260 4.077 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C=COc1cc(F)ccc12 587567827 FIZDGNDHEBTRGF-SIKLNZKXSA-N 376.339 4.295 0 1 GIAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(N3C(=O)c4ccccc4C3=O)c2c1 587640604 BLPOVWKJEILJNJ-GFCCVEGCSA-N 376.412 4.269 0 1 GIAF CCOc1cc(O)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587801636 MVSSGPDKUQPDLA-XTZNXHDOSA-N 380.257 4.316 0 1 GIAF CCOC(=O)Cc1ccc2nc(C3(c4ccccc4)CCC(=O)CC3)[nH]c2c1 587970317 FPECBWSKIHBFCU-UHFFFAOYSA-N 376.456 4.098 0 1 GIAF C[C@]1(c2ccccc2NS(C)(=O)=O)NCCc2cccc(-c3ccccc3)c21 962666996 UNFASSAGOUYQJH-HSZRJFAPSA-N 392.524 4.134 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2cc(F)c(F)c(F)c2)(C2CCCC2)N1 962891168 CHJDXEPCYBAGJA-UWJYYQICSA-N 393.380 4.276 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@@H](c3cc(Cl)ccc3Br)c3cccc1c32 963031877 OXOKTEUTMUEZCR-MLCYQJTMSA-N 391.696 4.245 0 1 GIAF Cc1c(O)ccc2c1[C@@H](c1ccc(SC3CCCCC3)o1)N[C@H](C(=O)O)C2 963525487 MZNRAOKHJCKADT-MGPUTAFESA-N 387.501 4.407 0 1 GIAF COc1cc(C(=O)c2cnc(-c3c[nH]c4cccc(C)c34)[nH]2)cc(OC)c1OC 1857602592 PDOCIQUPMPPJRM-UHFFFAOYSA-N 391.427 4.123 0 1 GIAF CC(C)c1cc(=N[C@H](C)C(C)C)[nH]nc1C(=O)NC1C2CC3CC(C2)CC1C3 1857752267 YAUATRSSNLLVQM-QVVGYRBSSA-N 384.568 4.033 0 1 GIAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@]3(CCC[C@@H]3CNC3CCCCC3)[C@@H]1[C@@H](O)C2 2356672742 WFTSAWYFMSRLIM-ZTQSFBPFSA-N 375.597 4.407 0 1 GIAF Cc1cc2nc(C3CCN(C[C@@H]4COc5ccccc5O4)CC3)[nH]c2cc1C 4967395 AFVPSEWUXQUXPL-GOSISDBHSA-N 377.488 4.199 0 3 GIAF Cc1nnsc1C(=O)N[C@@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 12836114 SPWXNXCGWJWGSB-QGZVFWFLSA-N 395.532 4.137 0 3 GIAF COc1cc(O)c([C@H](CC(=O)N2CCC[C@H](C)C2)c2ccccc2)c(OC)c1 198043364 OPRCOTADQGJAND-QFBILLFUSA-N 383.488 4.190 0 3 GIAF CC(C)(CO)CNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccccc1 774743 IFMGULZQLIIDCS-UHFFFAOYSA-N 384.863 4.410 0 1 GIAF CCc1cc(C(C)=O)c(O)cc1OCCCCCCCC(C)(C)c1nn[nH]n1 13650563 NVVQQWXOYINZTH-UHFFFAOYSA-N 388.512 4.368 0 1 GIAF COc1ccc2cnc(Nc3ccc(N4CC[C@H](N)C4)cc3)nc2c1C(C)C 14945384 AEAUWMPSZUYYHD-INIZCTEOSA-N 377.492 4.043 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)c4ccc[nH]4)[C@H]3CC[C@H]12 26390273 ADCZPIWAYHWQLK-CVDHQYDJSA-N 380.532 4.453 0 1 GIAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1N(C)CCN(C)C 28243557 GQMCGDJMEUHAGU-ROUUACIJSA-N 386.367 4.151 0 1 GIAF Cc1cccc(CN2CCN(c3cc(N(C)c4cccc(C)c4)ncn3)CC2)c1 40379281 PPDZQWMGBMBCRK-UHFFFAOYSA-N 387.531 4.184 0 1 GIAF COC(=O)c1sc2cc(Nc3ccc(F)cc3Br)cnc2c1N 66166778 OOPBYIYUWHRAIG-UHFFFAOYSA-N 396.241 4.310 0 1 GIAF O=C(Nc1ccc(N2CCNCC2)cc1)c1csc(-c2ccc(Cl)cc2)n1 84596668 QGNVFBKITUGHJH-UHFFFAOYSA-N 398.919 4.125 0 1 GIAF NC(=O)c1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1Oc1ccccc1 95584395 SZWYMJSQPFIVQS-UHFFFAOYSA-N 399.454 4.137 0 1 GIAF C[C@@H](c1ccc(F)cc1)N1CC[C@](CCC(N)=O)(c2ccc(F)cc2)OC1=O 114916126 YBKCDOSNWPIKMT-LHSJRXKWSA-N 388.414 4.029 0 1 GIAF COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1cccnc1 143248417 JYMSSXHWMZBCJX-UHFFFAOYSA-N 390.374 4.217 0 1 GIAF c1ccc(-c2csc3ncnc(N4CC[C@H](OCCN5CCCC5)C4)c23)cc1 146488210 VTXGDPCPKCDIDT-SFHVURJKSA-N 394.544 4.049 0 1 GIAF COC1CCC2(CC1)Cc1ccc(-c3cncc(F)c3)cc1[C@]21N=C(C)C(N)=N1 169708537 IQIVZKLXTXCLSL-ZUEZHPSSSA-N 392.478 4.004 0 1 GIAF CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)CCCCCCCC(=O)Nc3ccc(cc3)[C@H]1C2 253679881 VSVUJKJXMNJRFE-CBPXPLCBSA-N 398.547 4.479 0 1 GIAF O=C(Nc1ccccc1-n1cccn1)c1cccc2c1[S@](=O)c1ccccc1-2 253809891 VGHPNKOYGJFNLC-MUUNZHRXSA-N 385.448 4.272 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cc(C)c(F)cc2[nH]1)c1ccc(Br)cc1 586985810 SCBSOECMHGRXNM-HNNXBMFYSA-N 390.256 4.193 0 1 GIAF O=C(NCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1cc2c(s1)CCC2 587035310 RSPRFTUZWDQVRP-UHFFFAOYSA-N 383.370 4.201 0 1 GIAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ncc[nH]c-4n3)c(Cl)cc12 587078517 UFDSADWISRYNIK-SNVBAGLBSA-N 384.823 4.157 0 1 GIAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cn1cc(Cl)cn1 587379917 NBYJHSJZTZWAND-HXUWFJFHSA-N 397.862 4.191 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1N[C@H]1c1ccccc1)[C@@H](C2)C3=O 587440767 QKJXQOHWXPTOCC-LHXUXXTBSA-N 383.447 4.051 0 1 GIAF COc1cccc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512762 PGTWWJCXZHNNCP-HSZRJFAPSA-N 379.456 4.327 0 1 GIAF COc1cc(F)cc(OC)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587728203 RMMGWNOHVTYYHA-DYBLOJMWSA-N 398.247 4.368 0 1 GIAF COc1ccc2c(c1)C[C@@]1(C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811613 WQKFBUNCNMHOQS-JEOXALJRSA-N 376.269 4.125 0 1 GIAF COC(=O)c1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587827815 LEFRXIDEMDQJPP-YYSFKGJASA-N 396.256 4.074 0 1 GIAF CC(=O)Nc1ccsc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587845383 QWEWIYOMEYGMML-ANRSDYALSA-N 383.286 4.232 0 1 GIAF COc1ccc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1OC 587928217 YLDPZXLQIWWDOU-UHFFFAOYSA-N 387.308 4.220 0 1 GIAF COc1ccc2c(c1)C[C@H](c1nc3c(F)cnc(Br)c3[nH]1)CC2 587946015 IHCXTHSYGOHNBH-SNVBAGLBSA-N 376.229 4.141 0 1 GIAF Cc1ccccc1C(C)(C)c1nc2cc(I)cnc2[nH]1 587955916 WPXRENIOFYIUTL-UHFFFAOYSA-N 377.229 4.197 0 1 GIAF c1cncc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)[nH]2)c1 653725029 PCCOGKSWBNUTIO-IFMALSPDSA-N 399.498 4.308 0 1 GIAF CN1CCc2cn(C)nc2[C@]1(Cc1ccccc1)c1ccccc1C(F)(F)F 963954254 ILWMYVNAHHCKFP-NRFANRHFSA-N 385.433 4.413 0 1 GIAF CC(C)CN(CC(C)C)C[C@@H]1O[C@@H](Cc2cc(C(C)(C)C)on2)CC[C@@H]1O 2356381397 LAZQXZQKBXMERN-AABGKKOBSA-N 380.573 4.037 0 1 GIAF CC(C)C1=CC[C@]2(C)[C@H](O)C[C@H](O)[C@](C)(OC(=O)C=Cc3ccccc3)[C@@H]2C1 2356471170 QFWLJZPRVYMZJX-DXSQJRSRSA-N 384.516 4.126 0 1 GIAF Cc1cc(F)cc(-c2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)[nH]n2)c1 61903943 RHXNAOLFZNAVPL-UHFFFAOYSA-N 377.341 4.473 0 3 GIAF CCc1cc(-c2cnnn2Cc2ccccc2)ccc1-c1cn(CC(C)C)nn1 61923348 XKDJGKXZWDHHGH-UHFFFAOYSA-N 386.503 4.470 0 3 GIAF CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)Nc1ccccc1 13747462 OPDGPYUVIVPEEU-UHFFFAOYSA-N 376.478 4.379 0 1 GIAF O=c1oc(Nc2ccccc2I)nc2cccc(Cl)c12 13779144 DTEYOTLQLQGARZ-UHFFFAOYSA-N 398.587 4.190 0 1 GIAF N=C(NCCCc1c[nH]cn1)NCC[C@H](c1ccccc1)c1ccc(Cl)cc1 13816379 CZOAWFCKCUQZAO-OAQYLSRUSA-N 395.938 4.332 0 1 GIAF CCN(CCCOc1ccc2[nH]c(=O)ccc2c1)C(=O)N(C)C1CCCCC1 29306753 GKFSCVYDJKSMKH-UHFFFAOYSA-N 385.508 4.003 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C/C(=C\c5cccnc5)[C@@H]4O)[C@@H]3CC[C@@H]12 34270438 UMXDCWKYQFLOJM-NUPZHGKZSA-N 392.543 4.075 0 1 GIAF Cc1ncn(C)c1C1CCN(c2ncncc2-c2ccc(F)c(Cl)c2)CC1 40763308 VQDRZSMMROXNQK-UHFFFAOYSA-N 385.874 4.362 0 1 GIAF Cc1ccccc1CN(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cnccn1 59098786 VTEVEQHENPPCQK-UHFFFAOYSA-N 392.409 4.112 0 1 GIAF COc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2ccccc2)cc1 72122782 RYTJTDSLJPHYRW-UHFFFAOYSA-N 391.452 4.215 0 1 GIAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1C[C@@H](F)CN1C(=O)c1cnccn1 72176628 MBZPPLOZGLHLMF-UZLBHIALSA-N 396.853 4.426 0 1 GIAF COc1cccc(-c2csc(N3CCC[C@H]3C(=O)NCc3ccccc3)n2)c1 82192422 NDJCWHHGXHDJFR-FQEVSTJZSA-N 393.512 4.104 0 1 GIAF Cc1ccc(O)c([C@@H](CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccc3c(c2)OCO3)c1 95593180 FKTXLFGWWUTSQI-SCTDSRPQSA-N 395.499 4.456 0 1 GIAF C[C@@]12C[C@H](NC(=O)N1c1cccc(C(=O)N3CCCCC3)c1)c1ccccc1O2 100808490 NRQQLPNVSHCTCQ-WMZHIEFXSA-N 391.471 4.082 0 1 GIAF CO/C=C(/C(=O)OC)c1ccccc1COc1ccc2c(C)c(C)c(=O)oc2c1 103178493 AOZYNCYSQLZALW-DEDYPNTBSA-N 394.423 4.149 0 1 GIAF NC1=N[C@@H](CCc2ccc(N[C@@H](c3ccc(Cl)cn3)C(F)(F)F)cc2)CO1 139693962 KAWGGFMTDNYBKJ-HOCLYGCPSA-N 398.816 4.097 0 1 GIAF COc1cccc(CCN2CCCC[C@@]23CCc2cc(OC)ccc2C3=O)c1 207875592 YPPLHWJEXFCSDP-DEOSSOPVSA-N 379.500 4.300 0 1 GIAF N[C@H](CNc1nc(-c2ccncc2)nc2c(Cl)csc12)Cc1ccccc1 223665114 RXRBVUWUAWWKSD-HNNXBMFYSA-N 395.919 4.389 0 1 GIAF COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(F)c(F)c2)cc1 473089071 KHGCTOQGIGMPBI-UHFFFAOYSA-N 375.396 4.441 0 1 GIAF CC1CCC(NS(=O)(=O)Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)CC1 586952543 HRTUVYSSGYBEAE-UHFFFAOYSA-N 399.516 4.353 0 1 GIAF N=c1[nH]c2cccc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)c2o1 586987282 MNQHFOPBFCKFJN-UHFFFAOYSA-N 379.375 4.373 0 1 GIAF CCCCOC(=O)CCc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989414 IDLSEQTYUDQTTH-UHFFFAOYSA-N 375.424 4.428 0 1 GIAF Nc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C(F)(F)F)c1 587095672 PWKSDOMLMOPTQV-UHFFFAOYSA-N 381.667 4.245 0 1 GIAF N[C@H](Cc1ccc(I)cc1)c1nc2cccc(Cl)c2[nH]1 587183880 KNOXRZTWFHXSCH-GFCCVEGCSA-N 397.647 4.063 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C[C@@H](C)C(=O)O)(c1ccccc1F)CC2=O 587467945 VADRLMZLIQKJAU-DMZKTXOQSA-N 386.419 4.455 0 1 GIAF CCOC(=O)[C@@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521043 HVLJTJWVOXWCAC-XMMPIXPASA-N 378.468 4.465 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccoc1Br 587543207 JYRQYMLGNFZGRQ-RHSMWYFYSA-N 387.185 4.451 0 1 GIAF C[C@H](O)[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543961 CTKVJLHQYSKMTD-MCVWCKRISA-N 396.826 4.284 0 1 GIAF C[C@@H]1Cc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1C 587584403 XOVZDTMKXQJVQQ-PNPIFTBSSA-N 387.435 4.476 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCc1nc2ccccc2o1 587584482 AKUHJWQZPXIHAF-WIYYLYMNSA-N 387.391 4.496 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(-c2ccccc2)[nH]1 587590649 SXGKZWKOTIBHGW-UGKGYDQZSA-N 384.391 4.485 0 1 GIAF CCOC(=O)C[C@@]1(CCC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593455 DMFBQYKVDRFLBY-NFBKMPQASA-N 398.455 4.482 0 1 GIAF COCCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599618 YHGHSDPEHYOYBW-REWPJTCUSA-N 392.407 4.120 0 1 GIAF CCn1nc(C)c(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587699477 SMVYUOGJYLRSCG-GLEZIHRCSA-N 386.696 4.390 0 1 GIAF COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1O 587713349 BYCSWXJCQPDJJH-NIVTXAMTSA-N 398.247 4.239 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3ccc(F)cc32)N1 587731850 LLBTYJFJUIELFY-XTZNXHDOSA-N 378.216 4.411 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CN(C)C(=O)OC(C)(C)C)N1 587744425 ZWCLPZTXQZCNLX-MEBBXXQBSA-N 387.293 4.030 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2cccnc2)N1 587774023 KYVTUSQRHBGIFE-VOJFVSQTSA-N 377.257 4.006 0 1 GIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)cc1 587784478 HMEWGGPDRDMIGH-QWHCGFSZSA-N 389.224 4.408 0 1 GIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 587787034 UDPJIUUSZBFCBQ-VXGBXAGGSA-N 389.224 4.408 0 1 GIAF CCC[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587800276 WOWZHYJCCVTXNM-AEDCBLDQSA-N 386.305 4.317 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@]3(C)CC(=O)C[C@@]3(C)C2)N1 587817109 ILRJDURXANAOKY-CFTLBWQVSA-N 380.301 4.487 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(/C=C/C(=O)O)cc2)N1 587820417 ACSDGOVCCYFCSW-ZDFSMIPUSA-N 390.252 4.310 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(C(=O)O)cc32)N1 587827106 NQJNDNONHFNECE-GIGQVBGESA-N 390.252 4.010 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(CC(=O)O)cs2)N1 587848299 NNRVSGYTVFCGGV-VVVCHXIZSA-N 398.297 4.075 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2nccs2)N1 587853201 LLQLGKMAOMZLBR-HWPZZCPQSA-N 392.297 4.459 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(C(=O)O)ccn1 587865600 CQDPHRNTEZTMOK-UHFFFAOYSA-N 377.322 4.050 0 1 GIAF CCOC(=O)[C@H]1CC[C@@]2(C=C1C)c1ccsc1CCN2Cc1cccnc1 963000316 VGLVHHBAGLABLN-PGRDOPGGSA-N 382.529 4.316 0 1 GIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@]2(c1ccncc1)C1C[C@@H]2CC[C@H](C1)N2 963112645 QERGKFYOYUVAQO-SLJCNYHOSA-N 377.507 4.015 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@H](c2cccc(-c3cccc(O)c3)c2)N1 963240136 YBLZLNPNEAKEMJ-DNQXCXABSA-N 396.446 4.296 0 1 GIAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)[C@H]1C[C@H](C(=O)O)[C@@H]3O1 1772622628 MWDJGWPPQHFEID-KXHJNWENSA-N 388.504 4.262 0 1 GIAF C[C@H](Oc1cc(-c2ccc3ncnn3c2)cnc1N)c1cc(F)ccc1Cl 1911574689 QEKWATZRLREUGN-NSHDSACASA-N 383.814 4.306 0 1 GIAF CC(C)C1=C[C@H]2[C@](C)(CC1)[C@@H](O)[C@@H](O)C[C@@]2(C)OC(=O)C=Cc1ccccc1 2356539133 DRNUHBXXLRKSBG-HRKPPWRHSA-N 384.516 4.126 0 1 GIAF Cc1ccc(CNC(=O)c2cc(-c3ccccc3)n(Cc3cc(C)no3)n2)cc1 36384168 GCGBEHZGKLAYLE-UHFFFAOYSA-N 386.455 4.133 0 3 GIAF COc1cc2ncnc(Nc3cc(OC)c(OC(C)C)c(OC)c3)c2cc1OC 3832362 UFAWFNLKKMDVPJ-UHFFFAOYSA-N 399.447 4.195 0 1 GIAF Cc1c(C(=O)NC2CCCCCC2)sc2ncnc(NC[C@@H]3CCCO3)c12 12048713 MEFQEWUSGQUETH-HNNXBMFYSA-N 388.537 4.043 0 1 GIAF CCCCc1nc2cc(C(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)ccc2o1 14980054 MRBFIDRHNYLTAU-KRWDZBQOSA-N 391.471 4.301 0 1 GIAF O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@@H]1CCCNC1 26288413 FIFJMFXFFGFNHW-RFAUZJTJSA-N 378.316 4.305 0 1 GIAF COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@H]3CCCC[C@H]23)cc1OC 26506623 SPNSPIATZGICGL-OALUTQOASA-N 378.472 4.257 0 1 GIAF COc1ccc(OCCCN(C)C)c([C@H]2Sc3ccccc3N2C(C)=O)c1 27995886 FXTZEUVNMZAREE-OAQYLSRUSA-N 386.517 4.183 0 1 GIAF C[C@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1c[nH]c2ccc(O)cc12 29040681 AUYHTGSUOKGCJD-LLVKDONJSA-N 378.350 4.306 0 1 GIAF CN1C(=O)[C@H](CN2CCCCC2)C[C@@H]1c1cnc(-c2ccccc2Cl)s1 35932085 BYRXTRIVTYAFPL-WMLDXEAASA-N 389.952 4.469 0 1 GIAF COC(=O)N1C2=C(c3ccccc3[C@@H]1CC(=O)O)[C@H]1O[C@@H](C2)c2ccccc21 36381607 GLKGSBGQSUVJBZ-MDKPJZGXSA-N 377.396 4.212 0 1 GIAF CC(C)c1cc(OCCN2CCOCC2)nn1-c1ccc(Cl)c(Cl)c1 38215311 FDCUMMFFJKZKJA-UHFFFAOYSA-N 384.307 4.014 0 1 GIAF CC(=O)N[C@@H](C[C@H](C)N1CCC(n2c(C)nnc2C(C)C)CC1)c1ccccc1 40897994 YNOPQUVBQVNCRE-JTSKRJEESA-N 397.567 4.003 0 1 GIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4OC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 59907437 PADKLFRAXKHUPO-WSBQPABSSA-N 375.553 4.466 0 1 GIAF O=C(Cc1cccc(Cl)c1)N1CCC(c2nc(-c3cccs3)no2)CC1 71297094 PVNKDFLLDCQKCM-UHFFFAOYSA-N 387.892 4.400 0 1 GIAF COc1ccccc1NC(=O)N1CCC(c2nc(-c3ccccc3C)no2)CC1 72179603 GTZCCRIVLLYYIP-UHFFFAOYSA-N 392.459 4.465 0 1 GIAF CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccccc2)n1 82133187 RKMJVYDFKRXBKI-ROUUACIJSA-N 380.536 4.354 0 1 GIAF Cc1ccc([C@](CC[C@@H](N)C(=O)O)(c2ccccc2)c2cccc(O)c2)cc1 95580990 IWSYHPMWULTFDC-VWNXMTODSA-N 375.468 4.227 0 1 GIAF COC(=O)C[C@H]1[C@@H](Cc2ccccc2)C[C@@H]2[C@H](Cc3ccccc3)C[C@H]1N2C 142230644 XXQUTIIQIQULCG-OEYYQIPYSA-N 377.528 4.360 0 1 GIAF CC[C@H]1C[C@@]2(C[C@@H](CC)N1)C(=O)N(Cc1ccccc1)C(=O)N2c1ccccc1 253666844 FUFYUAFRDIRSHD-GZOXUSKESA-N 391.515 4.335 0 1 GIAF COc1ccc(S(=O)(=O)N2CCc3cccc(Nc4ccc(F)cc4)c32)cc1 299830219 LSWNRUWYVPTSAS-UHFFFAOYSA-N 398.459 4.329 0 1 GIAF O=C(CCSc1nnc(-c2ccncc2)s1)NCc1ccc(Cl)cc1 473081781 DHXSMWHCVHSOCF-UHFFFAOYSA-N 390.921 4.052 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 586950736 KVNOKQMPXRWVHW-UHFFFAOYSA-N 393.468 4.180 0 1 GIAF Cc1c(Br)cc2nc([C@@H](C)NC(=O)CC(F)(F)F)[nH]c2c1C 587094882 VNNHBLIOAQPWPK-MRVPVSSYSA-N 378.192 4.072 0 1 GIAF Nc1cc(-c2nc3c(Br)ccc(Br)c3[nH]2)ccc1F 587139748 TVYWTPHAARUJMY-UHFFFAOYSA-N 385.034 4.476 0 1 GIAF CC(C)Oc1cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2cc1Br 587248091 CMOMGMIJENKBLK-UHFFFAOYSA-N 390.237 4.060 0 1 GIAF COc1ncccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336123 JDIWSPTUICAHMP-KNQAVFIVSA-N 379.387 4.209 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1ccc(Cl)cc1C)[C@@H](C2)C3=O 587419080 JKHAJIANAMBNJB-BTYIYWSLSA-N 385.847 4.192 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(F)c1N1CCOCC1)CC2=O 587465585 IOXBBVBLDALEBO-HXUWFJFHSA-N 385.435 4.027 0 1 GIAF Cc1nc2sccn2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587616071 AWZKBWYPGFDIGP-HNAYVOBHSA-N 378.409 4.113 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)CCN3)N1 587793749 KVIDCKZSMOCFQM-WLRWDXFRSA-N 375.285 4.354 0 1 GIAF CC[C@]1(c2ccc(O)c(OC)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587807342 NCJBQIKMMPDFDE-NSPYISDASA-N 394.284 4.490 0 1 GIAF CCc1cccc(F)c1[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962700301 QMIJIFFPXHXANC-DOTOQJQBSA-N 385.332 4.234 0 1 GIAF Cc1ccc2nc(-c3ccc(Cn4nc(C)c(CC(=O)O)c4C)c(F)c3)[nH]c2c1 1772652890 AZHFSZDOWJKTFH-UHFFFAOYSA-N 392.434 4.166 0 1 GIAF COc1cc(C(=O)c2cnc(-c3c[nH]c4ccc(C)cc34)[nH]2)cc(OC)c1OC 1857571836 UOWIYMDONDCZKC-UHFFFAOYSA-N 391.427 4.123 0 1 GIAF OC[C@H](Cc1ccccc1)NCc1nc2cccc(OCC3CCCCC3)c2[nH]1 1857606587 ZZBQFMULLSNPMI-FQEVSTJZSA-N 393.531 4.215 0 1 GIAF CCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCC[C@H](C)C1 4230630 CGJMHQXJKFOQGH-OXJNMPFZSA-N 378.524 4.188 0 3 GIAF COc1ccc(-n2cc(CNCc3cccnc3)c(-c3cccc(F)c3)n2)cc1 11938553 CZPUVLUVRJNPPC-UHFFFAOYSA-N 388.446 4.372 0 3 GIAF CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)N[C@H]1CCCC[C@H]1O 775576 RKBORZBACQSOJN-LSDHHAIUSA-N 394.874 4.465 0 1 GIAF CN(Cc1ccccc1)C(=O)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12 2466582 YJJVYUHMVNPTNO-RPWUZVMVSA-N 396.490 4.182 0 1 GIAF CCOc1nc2cc(OCCC3CCN(c4ccc(C)nn4)CC3)ccc2o1 3633487 FTXINXIKSBVWJC-UHFFFAOYSA-N 382.464 4.010 0 1 GIAF COc1ccc(C2=C3SC=c4ccccc4=C3ON=C2c2ccccc2)cc1 6484237 CIRCQLCUELBUQI-UHFFFAOYSA-N 383.472 4.134 0 1 GIAF COc1ccc(COc2ccc(Br)cc2-c2cc(CO)on2)cc1 13536306 DGGQRMAFOSNTQZ-UHFFFAOYSA-N 390.233 4.184 0 1 GIAF C=C1CCCC(C)(C)[C@@H]2CC[C@](C)(C3=COC[C@@H]3[C@@H](OC(C)=O)C(=O)OC)[C@@H]12 14697195 VNQGYNWFBJULMG-YGACDOIFSA-N 390.520 4.420 0 1 GIAF biogenic O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CS[C@H](Cc2ccccc2)N1 40979524 FJUZXPCCIRYMQU-XZOQPEGZSA-N 386.520 4.470 0 1 GIAF O=C(C1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N1CCCC1 45302989 WLOGITOFOHAPAV-UHFFFAOYSA-N 384.470 4.389 0 1 GIAF COC(=O)c1ccc(C[C@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1C 45316319 ZBTUIONYUOHXER-LIRRHRJNSA-N 395.421 4.055 0 1 GIAF Cc1ccc2c(c1)Sc1cc3ccccc3nc1N2CCCNS(C)(=O)=O 96905907 KDCZEEAKRJMHAL-UHFFFAOYSA-N 399.541 4.085 0 1 GIAF CCN(CC)CCCOc1c(OC)cc2oc(-c3ccccc3)cc(=O)c2c1O 103271044 WYUHSKQZJOMBCK-UHFFFAOYSA-N 397.471 4.285 0 1 GIAF C[C@@H](Nc1ncnc2ccc(OCCCCCC(=O)NO)cc12)c1ccccc1 114301224 QBFMDUKVTGGKMO-MRXNPFEDSA-N 394.475 4.248 0 1 GIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5)CC4)[C@H]3C=C12 504269164 ATTPURVGODAPOY-YQHSJXJLSA-N 392.543 4.043 0 1 GIAF biogenic CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C)c(F)cc3[nH]2)cc1 587042586 NDPBMDCYDQJLFQ-GOSISDBHSA-N 385.464 4.297 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)C(F)(F)C1 587132298 PQWLKQSJKJOQBP-ZETCQYMHSA-N 393.221 4.234 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCCC3)nc1F)CC2=O 587472067 PNWIKJHURSBDLU-QFIPXVFZSA-N 384.451 4.360 0 1 GIAF COC(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587590244 BEZRPTADNIJEGV-UGKGYDQZSA-N 390.391 4.190 0 1 GIAF C[S@](=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587605056 AUDKVEXAHWNADV-IMXIINTDSA-N 394.448 4.007 0 1 GIAF CSc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587614156 QYHVIWHREICQGN-LAUBAEHRSA-N 394.452 4.090 0 1 GIAF Cc1nc2scc(C)n2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619048 QOIFUJUCGUHYIH-OXQOHEQNSA-N 392.436 4.421 0 1 GIAF COc1ccc2c(c1)NCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587791653 GWFRWCHUOGMRCJ-WLRWDXFRSA-N 391.284 4.190 0 1 GIAF COCCOC[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587798092 XJSSMUPWIYVRBL-KZULUSFZSA-N 388.321 4.027 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(O)nc2Cl)N1 587853833 RWSDVWLEEPMZSK-XUOSJQGZSA-N 377.666 4.027 0 1 GIAF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cnnc(O)c2[nH]1 587948462 DBSMISDYKCBPLY-QWQRMKEZSA-N 394.475 4.343 0 1 GIAF COc1cccc(CCCCCCCCN2CC[C@@H](OC(=O)N(C)C)C2)c1 653702401 FGPAGOKEVAXSBG-OAQYLSRUSA-N 376.541 4.351 0 1 GIAF O=C1Nc2ccc(Cl)cc2[C@]12ON=C(c1ccccc1)N2c1ccccc1 653849081 MGWMVVPIGFQAIH-NRFANRHFSA-N 375.815 4.344 0 1 GIAF CCCCOc1ccccc1[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973226 JQHXMBPAASQLKE-BEFAXECRSA-N 395.833 4.485 0 1 GIAF CCOC(=O)COc1ccccc1[C@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963113039 YUEGBTVNJIKVRT-JPYJTQIMSA-N 383.463 4.052 0 1 GIAF C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H]1C[C@H](CCC(=O)O)[C@]12O 1772614408 WVFKXMINXQDSRC-WLIYSYGKSA-N 388.548 4.440 0 1 GIAF COc1ccc(OC)c([C@H]2C=C(c3cccc4ccccc34)N=C3NN=CN32)c1 1857534536 YGEHCALDWKPUNI-OAQYLSRUSA-N 384.439 4.157 0 1 GIAF CCCNC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)nc2ccccn12 1857586515 VNEGBBLAIKTVSJ-UHFFFAOYSA-N 391.258 4.033 0 1 GIAF CC(C)=C/C=C\[C@H](C)[C@H]1CC[C@]2(C)C[C@H]3[C@@H]4C(=CC=C12)C(=O)N[C@]4(O)C[C@@]3(C)O 1857603382 XLWSRBGCDBHJIY-COJWARERSA-N 397.559 4.023 0 1 GIAF CS(=O)(=O)c1ccc(Oc2cc(F)cc(Cl)c2)c(Br)c1 1857631157 DEHILFOXGDHTTI-UHFFFAOYSA-N 379.634 4.437 0 1 GIAF O[C@H](CCN1CCN(c2ccccc2C(F)(F)F)CC1)c1ccc(F)cc1 1857632288 IDTKJVMAJLEXPB-LJQANCHMSA-N 382.401 4.090 0 1 GIAF O=C(O)C[C@H]1CCN(CCCc2ccccc2)C[C@@H]1Cc1nc2ccccc2[nH]1 2356387242 MRSWWSHLDFMGHJ-UXHICEINSA-N 391.515 4.151 0 1 GIAF Cc1nc(CN(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cs1 36382601 PMDAVRLCSZSLRH-UHFFFAOYSA-N 390.468 4.427 0 3 GIAF Cc1ccc(NCCCn2cnc(C(=O)Nc3ccc(C)c(C)c3)n2)cc1C 61936053 VRVUDVTUWYKKDT-UHFFFAOYSA-N 377.492 4.266 0 3 GIAF Cc1ccc2c(c1)-n1c(nc3cc(Cl)ccc3c1=O)[C@@H](CC(C)C)NC2=O 61949344 FUDLABVBZMMENS-QGZVFWFLSA-N 381.863 4.178 0 3 GIAF CN(Cc1ccccc1)[C@H](c1cc2ccccc2o1)c1nnnn1C(C)(C)C 95567343 XFMMVTKSXXRUII-HXUWFJFHSA-N 375.476 4.396 0 3 GIAF CC1(C)C[C@H](NC[C@@H]2CCCO2)c2cc(C(=O)NC3CCCCC3)ccc2O1 5070350 AJCARHNEZVGCGX-ICSRJNTNSA-N 386.536 4.120 0 1 GIAF CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2F)[C@@H]1c1cccs1 6725206 YDOHZYMWQQYTSI-OALUTQOASA-N 380.444 4.436 0 1 GIAF COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N[C@H]1CCCc2ccccc21 7005134 GANAZQIDOWFBRQ-SFHVURJKSA-N 398.484 4.015 0 1 GIAF CCOC(=O)C[C@@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 13491895 BFYFCBBJFMGJDA-NRFANRHFSA-N 379.500 4.072 0 1 GIAF CC(C)OC(=O)N1c2ccccc2-n2cnc(-c3noc(C4CC4)n3)c2C1(C)C 13735043 BGWIQYOEJFPAPB-UHFFFAOYSA-N 393.447 4.400 0 1 GIAF NCCCCN1C(=O)[C@H](Cc2ccccc2)N=C(c2ccccc2)c2ccccc21 27525926 IINGHVIHVAOJMU-QHCPKHFHSA-N 397.522 4.221 0 1 GIAF COc1ccc(NC(=O)c2ccoc2)cc1-c1ccc(C(=O)NCC2CC2)cc1 40402285 JYORANCCBNDSNZ-UHFFFAOYSA-N 390.439 4.347 0 1 GIAF COc1ccccc1COc1cc(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1 64540829 MCGOSJFUCYZFFT-UHFFFAOYSA-N 390.391 4.459 0 1 GIAF CNC(=O)CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 66073617 QBHPBZZFBDVFFR-UHFFFAOYSA-N 391.905 4.040 0 1 GIAF COc1ccc(Oc2cc(N(C)c3ccccc3C(N)=O)c(Cl)cn2)cc1 73162776 UBTKDTIAZJHTPT-UHFFFAOYSA-N 383.835 4.403 0 1 GIAF CCCCNC(=O)[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C 82082312 LGAKNQLTYAWMIL-INIZCTEOSA-N 393.940 4.134 0 1 GIAF O=C(c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccco1)N1CCCC1 82142745 RXJQDPLEZSSZHV-UHFFFAOYSA-N 396.878 4.281 0 1 GIAF CCOC(=O)c1c(O[C@@H]2CCCC[C@H]2C)cc(CCc2ccccc2)[nH]c1=O 95586512 IJPVBUQUHPMPMK-VQIMIIECSA-N 383.488 4.294 0 1 GIAF OC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCCCCC1 96175109 HMABBYGCZDICRY-UHFFFAOYSA-N 388.471 4.409 0 1 GIAF O=S(=O)(N[C@H]1[C@H]2CC[C@H]1Cc1c(F)cccc1C2)c1ccc(Cl)s1 101009405 YTBSSZLYKCFJCT-PRXAMGSTSA-N 385.913 4.013 0 1 GIAF OC[C@@H]1CCCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139015230 FWEDJUOFXVKFDV-QGZVFWFLSA-N 376.460 4.221 0 1 GIAF Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3O[C@H](C)CF)c12 169708391 HBFUEXHRWJRBKF-MRVPVSSYSA-N 379.388 4.317 0 1 GIAF O=C1C[C@H](C2CCCCC2)NC(=O)[C@@H]1C(=O)Nc1ccc(C2CCCCC2)cc1 169727301 DGRYMTJBTZFZBW-IRLDBZIGSA-N 396.531 4.327 0 1 GIAF O=C(O)Cc1ccc(CNc2nc(-c3ccc(Cl)cc3)nc(C3CC3)n2)cc1 299833944 PPPWGCVQMNAKQA-UHFFFAOYSA-N 394.862 4.309 0 1 GIAF COc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1Cl 586983545 CQKPMTDEIXPMLJ-GFCCVEGCSA-N 380.673 4.230 0 1 GIAF Cc1ccnc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586987649 POWMEQAAIIFHFM-UHFFFAOYSA-N 395.418 4.036 0 1 GIAF O=C1C[C@@H](Cc2nc3ccc(Cl)nc3[nH]2)c2c(Br)cccc2O1 587004542 WIEGTTOSKVRKBY-MRVPVSSYSA-N 392.640 4.009 0 1 GIAF CC(=O)Nc1ccc(Cl)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1 587050761 QMZIVYZLOKSOCH-UHFFFAOYSA-N 383.608 4.138 0 1 GIAF OCCc1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 587166601 XCCSFOHMRGFQPI-UHFFFAOYSA-N 392.459 4.204 0 1 GIAF CC(=O)N[C@@H](Cc1nc2ccc(Br)c(C)c2[nH]1)c1ccc(C)cc1 587207828 XDQZLIOLLDGPQU-KRWDZBQOSA-N 386.293 4.362 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)N(C)Cc1cccc(Cl)c1)O2 587379556 VQFJQZNWGFWHJU-NRFANRHFSA-N 386.879 4.003 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4cc(Br)ccc4NC14CC4)[C@@H](C2)C3=O 587419937 VEMXPKDWBSRSPO-XOBRGWDASA-N 398.256 4.059 0 1 GIAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC3C[C@H]1CC(OC(C)=O)(C3)C2 587476986 HBCWOWHAAMQXIQ-CQZRECKZSA-N 384.472 4.191 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)ccnc2N(C)C)N1 587695302 RFQMSISKWKWBSX-FVMDXXJSSA-N 398.707 4.326 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn([C@H]3CCCCO3)n2)N1 587763992 NUVMGDOJNYIHTJ-PZDGAKPMSA-N 394.288 4.107 0 1 GIAF CCOC(=O)C1(C)CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587798924 QAKAJKUAYMAJOZ-PIHIASKNSA-N 398.316 4.461 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@@H]2C1(C)C 587816961 GMEIZAJQKRURFS-BKRWTTLJSA-N 380.301 4.343 0 1 GIAF CN(c1ccc(-c2csc(-c3ccc(N)cc3Cl)n2)cc1)S(C)(=O)=O 587923621 AXHZBLVPEIGXDB-UHFFFAOYSA-N 393.921 4.109 0 1 GIAF CCOC(=O)CC[C@]1(c2ccccc2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962572761 QIUPNRMKFAXTRH-OSPHWJPCSA-N 397.515 4.167 0 1 GIAF COc1ccc2c([C@@H]3NCCc4c(C)ccnc43)cn(C(=O)OC(C)(C)C)c2c1 963085801 HPZLAJQOWTVIIL-NRFANRHFSA-N 393.487 4.372 0 1 GIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cnc3ccoc3c2)N1 963177522 VFJVBRNYFATWMI-MLGOLLRUSA-N 396.752 4.188 0 1 GIAF CCCCC[C@]1(c2ccc(O)cc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963227250 GDMSHNIBGMEOKH-LADGPHEKSA-N 390.483 4.363 0 1 GIAF CCCN1[C@H](c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2C[C@H]1C 963243577 SRMMNBWLUSWGOG-HXOBKFHXSA-N 375.516 4.230 0 1 GIAF O=C(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)c1cccc(F)c1 1857534454 WHXNFZBOTMGIPU-UHFFFAOYSA-N 384.414 4.456 0 1 GIAF CC(C)(C)OC(=O)n1c(C2=CC(=O)N(C(C)(C)C)[S@@]2=O)cc2ccccc21 1857558666 VXYIQPFTORVWOH-HHHXNRCGSA-N 388.489 4.070 0 1 GIAF Cc1ccccc1NC(=O)Nc1nc([C@H](N)COCc2ccccc2)cs1 1857597130 BPHMBVARTAILPX-MRXNPFEDSA-N 382.489 4.312 0 1 GIAF COC(=O)c1cn(C)c2ccc(/C=C\c3cc(OC)c(OC)c(OC)c3)cc12 1857652298 NRQJHDQLZBFZJF-SREVYHEPSA-N 381.428 4.161 0 1 GIAF OC1CCC(c2nc3cc(Nc4ccc(C(F)(F)F)cn4)ncc3[nH]2)CC1 1857762022 KLRCKUBVXGBHPM-UHFFFAOYSA-N 377.370 4.134 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)nc2F)nn1Cc1ccc(Cl)cc1 1911570521 KSTXRAYCDKATPP-UHFFFAOYSA-N 383.785 4.438 0 1 GIAF CCC=Cc1c(OC)cc(=O)oc1C[C@@H](CCC)c1c(OC)cc(=O)oc1C 2356407940 QAOMGVDFBNZRMP-OAHLLOKOSA-N 388.460 4.468 0 1 GIAF ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]4C[C@@H]([C@@H]5O[C@H]45)[C@@H]3[C@@]1(Cl)C2(Cl)Cl 1851055 DFBKLUNHFCTMDC-JBTBAUAJSA-N 380.913 4.481 0 1 GIAF CNCCCN1C(=O)CS[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 13781668 XHQACDRSGQESLC-LJQANCHMSA-N 378.582 4.171 0 1 GIAF C[C@@]12CCC(=O)C=C1CC[C@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@@H](c3csc(N)n3)CC[C@H]12 13786296 OLFQKPLZTHOKAV-LHGYPCCLSA-N 386.561 4.312 0 1 GIAF Cc1cccc(N2CCN(CCCOc3ccc4c(=O)ccoc4c3)CC2)c1C 13860932 DWFCWFXMABMKSX-UHFFFAOYSA-N 392.499 4.001 0 1 GIAF CC[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCCC1 27561876 FCZXMKQGPJNSOM-HXUWFJFHSA-N 380.488 4.185 0 1 GIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/c2ccoc2)c1 28389626 WCJFOOGMQOWFEM-MDZDMXLPSA-N 376.456 4.306 0 1 GIAF CCc1nc(C(F)(F)F)ccc1C(=O)Nc1c(C)cccc1C(=O)NC(C)C 28528814 QNSMKJFNORJNHH-UHFFFAOYSA-N 393.409 4.362 0 1 GIAF Cc1c(C(=O)O)cn2ncc(CN)c(Nc3ccc(Oc4ccccc4)cc3)c12 28569405 SZVNPGYDGVABCS-UHFFFAOYSA-N 388.427 4.336 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1C[C@@H](O)[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33820744 DATMLNMUDBJNRY-QONWDKQJSA-N 392.580 4.478 0 1 GIAF N[C@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@H]1c1ccc(Cl)cc1Cl 36310959 XNMANXSJGMEZSD-HOCLYGCPSA-N 391.327 4.443 0 1 GIAF Clc1ccc(Cn2cc([C@H](c3ccc(Cl)cc3)n3ccnc3)nn2)cc1 40395335 RYEQSVSDUVCWEO-IBGZPJMESA-N 384.270 4.467 0 1 GIAF c1ccc(OCCNC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 40430957 ZCYQPTKLMLTYQD-XMMPIXPASA-N 389.495 4.014 0 1 GIAF Cc1c(C2CC2)nc2ccc(NC(=O)c3ncc(-c4ccc(F)cc4)cn3)cn12 42966624 KHBSSGREAISYNW-UHFFFAOYSA-N 387.418 4.369 0 1 GIAF COc1cc(/C=C2\C(=O)Nc3cc(OC(F)(F)F)ccc32)cc(OC)c1OC 96923443 UVVMNXVUHXYZAU-MLPAPPSSSA-N 395.333 4.104 0 1 GIAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)c(Cl)c1 100912850 GBSHIUSLZXGHTO-GNPFNHGDSA-N 396.712 4.142 0 1 GIAF CCCSc1c(C(=O)NC2CCCCC2)cnn1[C@H]1CC[C@@H](C(=O)O)CC1 101580071 HLKJXRGYFOSRLT-KOMQPUFPSA-N 393.553 4.264 0 1 GIAF C[C@@H]([C@@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1)N(C)C 137058836 PJNAJZSNGGHTRM-LIRRHRJNSA-N 378.505 4.171 0 1 GIAF COc1cccc(-c2cc(N[C@H](CCO)c3cccc(OC)c3)nc(C)n2)c1 142010352 IODNXJHAGUWVGQ-HXUWFJFHSA-N 379.460 4.005 0 1 GIAF O=C(c1ccccc1)[C@@H]1c2c(c(O)n(-c3ccc(F)cc3)c2O)[C@@H]2CCCN21 169688922 NODSFGHURUEGEB-LPHOPBHVSA-N 378.403 4.102 0 1 GIAF Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3n2)cc1 204531543 ADEWPQIVNWFIED-UHFFFAOYSA-N 389.411 4.346 0 1 GIAF O=C(O)C[C@H](NC(=O)c1cccc(-c2ccccc2F)n1)c1ccccc1Cl 261185475 XHPBJIKIGAZFNR-IBGZPJMESA-N 398.821 4.487 0 1 GIAF O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cccc(Cl)c2[nH]1 586952584 IVFDCTQRCRKMGL-UHFFFAOYSA-N 390.877 4.141 0 1 GIAF COc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cn1 587000541 HRSPJDQSXOGGFH-UHFFFAOYSA-N 384.233 4.461 0 1 GIAF CCc1ccc2nc([C@@H](CC)n3cc(I)c(C)n3)[nH]c2c1 587185490 VAHQUEWKXPHRQT-OAHLLOKOSA-N 394.260 4.234 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2([C@@H]3[C@@H]4[C@@H]5C[C@H]6[C@H]4C[C@H]3[C@@H]6[C@H]52)[C@H]1c1ccc(F)cc1 587355196 TXTSJUMWGJETMA-JJPDADERSA-N 388.438 4.407 0 1 GIAF CC(=O)[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545571 HFFDUEAHLSZAJG-DENIHFKCSA-N 394.810 4.492 0 1 GIAF COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587559674 YUJKACAQPWDJEX-RXVVDRJESA-N 394.354 4.021 0 1 GIAF Cn1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1ccco1 587581753 MGZDEHWKNWONEQ-UGKGYDQZSA-N 388.379 4.089 0 1 GIAF CCOc1ccc(-c2nn(C[C@@H]3CCCO3)c(=O)c3ccccc23)cc1OCC 587668871 HIHYZVPBPVEETB-KRWDZBQOSA-N 394.471 4.040 0 1 GIAF COc1c(F)ccc(F)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587716719 DRMBNQUXJDYPNE-BCTVWOGZSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccncn2)N1 587776225 CDMSEUSVSYQOMA-RNODOKPDSA-N 398.279 4.204 0 1 GIAF Cc1cccc2c1NCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587791089 FGDKOHRQGXXRQV-BLVKFPJESA-N 375.285 4.490 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2nccs2)N1 587854258 QWUWQMDCAAZUEX-MGPLVRAMSA-N 392.297 4.459 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccc(C(F)(F)F)nc3)n2)cc1 587923749 KOYFXFYJDIYGGV-UHFFFAOYSA-N 399.419 4.262 0 1 GIAF CCOC(=O)C1CCN(c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)CC1 653838818 XKUCAFIDHMVCGU-UHFFFAOYSA-N 391.471 4.200 0 1 GIAF CCCCN1C(=O)[C@H]([C@@]2(C)NCCc3c2sc(C)c3C)C(=O)c2ccccc21 963007266 HTQDYLULHXSRTE-AUSIDOKSSA-N 396.556 4.372 0 1 GIAF CN1C(=O)C[C@H]2CN[C@H](c3c(-c4ccccc4)nc4ccccn34)c3cccc1c32 963028295 OWEDTEWMZGRCQF-XDHUDOTRSA-N 394.478 4.144 0 1 GIAF Fc1cccc2c1[C@@H](c1cc(-c3ccc4c(c3)OCO4)no1)N1CCC[C@H]1C2 963101792 LXTTYIGFEOXIMJ-OYHNWAKOSA-N 378.403 4.319 0 1 GIAF Nc1nc(C(F)(F)F)ccc1-c1nnc(-c2ccc(Br)cc2)o1 1772649267 IQQOTYPBOYKJJG-UHFFFAOYSA-N 385.143 4.162 0 1 GIAF CC[C@H](NC(=O)N1CC(=O)Nc2ccccc21)c1ccc(OC(F)(F)F)cc1 1772651066 QDSHMSGVROYLGN-AWEZNQCLSA-N 393.365 4.205 0 1 GIAF O=C(OCCc1ccccc1)c1cc2c(OC3CCNCC3)cccc2s1 1857538221 XOXXGXRFGZBIRJ-UHFFFAOYSA-N 381.497 4.432 0 1 GIAF COc1cc(-c2[nH]nc3ncc(-c4ccc(C)cc4N)cc23)cc(OC)c1OC 1857540186 POJJYBKHUFTWTR-UHFFFAOYSA-N 390.443 4.208 0 1 GIAF CN=[S@](=O)(NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccc(C)cc1 1911576522 WJUJGCUWLJTKJU-MHZLTWQESA-N 383.517 4.166 0 1 GIAF CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@](C)(O)[C@H]2OCc1ccc2ccc(=O)oc2c1 2356779098 LSFPDSGTNWHMAC-MHFNLWBJSA-N 398.499 4.235 0 1 GIAF O[C@H]1C[C@H](c2ccccc2)N(CC2CCCCC2)C[C@@H]1n1cc(C2CC2)nn1 61923683 YLXNKTAEJNVBQL-VJBWXMMDSA-N 380.536 4.085 0 3 GIAF CCOC(=O)c1cc2c([nH]1)c(OC(C)=O)cc1c2ccn1Cc1ccccc1 1653961 GBJRZVNBEUMTPL-UHFFFAOYSA-N 376.412 4.273 0 1 GIAF O=C(NNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccncc1 5515747 GPTVMEVONSZVII-UHFFFAOYSA-N 379.463 4.308 0 1 GIAF C[C@]12C[C@H](CCCO)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]21CCC(=O)O1 13651589 PLTBONJAGLYTDQ-IAUWXRHWSA-N 384.516 4.267 0 1 GIAF COc1ccc(N[C@@H]2N(OC)c3ccccc3[C@@]23CN=C(SC)S3)cc1 40875342 SUQUNFPUVDKWFK-MJGOQNOKSA-N 387.530 4.176 0 1 GIAF CN1OC(C)(C)C2=C(C1=O)[C@@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 40943425 KMVGECXUEKENPZ-KRWDZBQOSA-N 398.846 4.062 0 1 GIAF COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccccc2)CC1 40949865 URDKULLWSBXHPQ-JOCHJYFZSA-N 387.495 4.032 0 1 GIAF C[C@H]1c2c[nH]nc2-c2c(F)cccc2N1S(=O)(=O)c1ccc(Cl)cc1 45256355 WNBUTAKAWZSYIK-JTQLQIEISA-N 377.828 4.139 0 1 GIAF COc1ccc2c(c1)CN(S(=O)(=O)c1ccc(C)cc1)[C@@H](CC(C)C)CO2 45336357 VFJBXEACHOESFN-SFHVURJKSA-N 389.517 4.002 0 1 GIAF COc1ccc(C(=O)c2cccn2C/C=C/c2ccccc2CC(=O)O)cc1 66260031 NMZHEKSRAGZMAW-XBXARRHUSA-N 375.424 4.068 0 1 GIAF CCOC(=O)N[C@H](OC(=O)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 68586546 JQTVATRFBHPSOH-SECBINFHSA-N 390.050 4.331 0 1 GIAF biogenic CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 82049455 GNWBLLYJQXKPIP-RRSRDAPVSA-N 388.596 4.334 0 1 GIAF COc1ccccc1C(=O)NC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 84634531 JGEZETHUNNNQAW-UHFFFAOYSA-N 387.867 4.301 0 1 GIAF CC1CCC2(CC1)S[C@H](C)C(=O)N2NC(=O)C12CC3CC(CC(C3)C1)C2 95559552 JDXGCWZADJHICA-WGTCWABKSA-N 376.566 4.104 0 1 GIAF O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2CC1CCCC1 95893762 SULGBIVQAKFELB-RJGXRXQPSA-N 391.515 4.058 0 1 GIAF CC(C)c1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(CCO)CC1)=N2 101817826 WKIJSSHPCWBDPM-UHFFFAOYSA-N 389.543 4.090 0 1 GIAF COc1cc2sc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(C)c2cc1N 103233963 QEEJUWSRTOJMCI-UHFFFAOYSA-N 387.457 4.057 0 1 GIAF CCOc1cccc(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3)CC2)c1 103291298 OOQAPDKGCZFXNK-UHFFFAOYSA-N 391.471 4.011 0 1 GIAF CC[C@@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@H]1c1ccccn1 169343410 PLEATYFGVZEHES-XPTSAGLGSA-N 380.227 4.206 0 1 GIAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1Cl 169723995 JDESMLBZOPKIKC-WBVHZDCISA-N 395.858 4.442 0 1 GIAF Cc1noc(CCC[C@H]2CC(=O)c3cc(Cl)cc(Br)c3O2)n1 299840314 UYHJCXXUKFYFQM-JTQLQIEISA-N 385.645 4.151 0 1 GIAF Cn1ccnc1[C@@H]1CCCc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586987381 OAEFCANMDGSYCT-OAHLLOKOSA-N 381.435 4.354 0 1 GIAF Nc1ccc(-c2nc3ccc(O)c4c3c(c2CC(=O)O)-c2ccccc2C4=O)cc1 586987383 OBTIXDIKDBBTRK-UHFFFAOYSA-N 396.402 4.028 0 1 GIAF COC(=O)c1cc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2cc1OC 587033549 XBWXVOLFKKCQNO-UHFFFAOYSA-N 393.468 4.366 0 1 GIAF C[C@@H](F)[C@H](N)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587122304 CSTCXDXEWDSYEK-CLAHSXSESA-N 398.335 4.331 0 1 GIAF Fc1cc(CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc(F)c1F 587138791 PYZRVRUQRZEGDE-UHFFFAOYSA-N 380.679 4.179 0 1 GIAF Cc1cc(-c2nc3ncnc(Cl)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145553 YWCTZRVQILRTKQ-UHFFFAOYSA-N 382.782 4.486 0 1 GIAF COc1ccc(-c2nc3ccc(Cl)cc3[nH]2)c(I)c1 587178400 AMPAKZCWRPRVRN-UHFFFAOYSA-N 384.604 4.497 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(C=COc3cc(O)ccc32)[C@@H]1c1ccc(F)cc1 587356911 LJTPBLIWKBLFJL-GGAORHGYSA-N 390.366 4.397 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587398308 DJPNMVDYZFDPDO-STSQHVNTSA-N 379.456 4.038 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccc(C(=O)O)o3)cc1)O2 587404844 RUYZHQCRJAXZFY-HXUWFJFHSA-N 393.395 4.154 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(F)(F)F)c(OC)c1)[C@@H](C2)C3=O 587421346 PLDHXBAMWKMGHG-DJJJIMSYSA-N 394.345 4.134 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(OC)cc1C)CC2=O 587479057 MDWXHGMUTASSSV-HSZRJFAPSA-N 398.455 4.387 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ccccn1 587589334 UUGRGKVGUXCRLI-URXFXBBRSA-N 396.402 4.088 0 1 GIAF C[C@H](O)[C@@]1(C2(C)CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611267 RUHNPQZUHAMCPN-IGCHPXFFSA-N 382.456 4.444 0 1 GIAF CC(C)C(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587703211 GDJNRNLTLNCTAA-VFZGTOFNSA-N 396.222 4.495 0 1 GIAF C=C1C=C(C)n2c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cnc2N1 587776407 XMKMOEJGQXULIU-QGHHPUGFSA-N 389.272 4.208 0 1 GIAF COc1ccc(C=O)c(-c2nc3c(Br)cc(Cl)cc3[nH]2)c1OC 587787245 SSTXTGKFWFMTAR-UHFFFAOYSA-N 395.640 4.476 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ncon3)cc2)N1 587796105 PFNRPRJMCYWMIM-BMLIUANNSA-N 388.240 4.262 0 1 GIAF CC[C@]1([C@@H](C(=O)OC)C(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587808535 OHADRTNVMYWWNO-YRILPIOLSA-N 386.305 4.173 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CCCCC2)(C(=O)O)N1 587829580 RDIAKTUPSDEICS-VOJFVSQTSA-N 384.289 4.373 0 1 GIAF COc1ccc(Br)c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587873326 ZBMGTNNOYMELIU-UHFFFAOYSA-N 389.180 4.255 0 1 GIAF COc1cc([C@@H]2NCCc3c(C)ccnc32)cc(Br)c1OC(C)C 963070529 NSMSEVKCALSFQS-KRWDZBQOSA-N 391.309 4.183 0 1 GIAF CC1=C(C(=O)OCC(F)(F)F)[C@H](c2ccsc2)N2C(=N1)Nc1ccccc12 1857567710 UFRNYCYZDXYASF-HNNXBMFYSA-N 393.390 4.470 0 1 GIAF Nc1ccnc2c1c(-c1c[nH]c3nccc-3c1)nn2[C@@H]1CCc2ccccc2C1 1857763596 BOKUZXSCWAITFO-GOSISDBHSA-N 380.455 4.238 0 1 GIAF O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1ccno1)c1ccccc1 1353781 CXTKLHMCUSIVIQ-LJQANCHMSA-N 395.484 4.183 0 3 GIAF CCc1ccc(-c2cn3c(n2)sc2cc(C(=O)N4CCOCC4)ccc23)cc1 6748711 VRGGVQICKOQLMA-UHFFFAOYSA-N 391.496 4.251 0 1 GIAF CCCN(CCC)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)no2)s1 7005397 WTTHXPIRSZJKRY-UHFFFAOYSA-N 382.429 4.233 0 1 GIAF CSc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(CF)[nH]c(=O)c12 13585150 MBRDAZJDCOJIES-UHFFFAOYSA-N 393.658 4.260 0 1 GIAF N[C@H](COc1cncc(-c2nc(-c3ccncc3)cs2)c1)Cc1ccccc1 14957417 MVLCNJKHGFMZMG-IBGZPJMESA-N 388.496 4.216 0 1 GIAF O[C@@](Cn1ccnc1)(c1ccc(-c2cccnc2)cc1)c1ccc(F)cc1F 26941351 LYHARONQVFKMQL-QFIPXVFZSA-N 377.394 4.159 0 1 GIAF COc1cccc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)cc2)c1 27088769 CRTJLQXRMYRUTM-UHFFFAOYSA-N 396.390 4.175 0 1 GIAF C[C@H]1CN(c2ccccc2Sc2ccc(Cl)cc2)[C@@H](C)CN1CC(=O)O 28362683 JWJRJOKVXACSQY-GJZGRUSLSA-N 390.936 4.475 0 1 GIAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)c(Cl)c2)N1 39374899 CWEDPVSIJOZZDP-DLBZAZTESA-N 375.255 4.251 0 1 GIAF c1ccc(Nc2nc(NCCc3ccncc3)ncc2-c2nnc(C3CC3)o2)cc1 40892630 QIFHLNBHFCPHQE-UHFFFAOYSA-N 399.458 4.197 0 1 GIAF NC(=S)N1N=C(c2cccc(Br)c2)C[C@H]1c1ccccc1Cl 40951772 MCTQWKDAIFYHEN-HNNXBMFYSA-N 394.725 4.497 0 1 GIAF CCCNC(=O)c1cncc(-c2cccc(CNC3Cc4ccccc4C3)c2)c1 45323739 XBNMGJYYTNKKRQ-UHFFFAOYSA-N 385.511 4.145 0 1 GIAF CC[C@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc(C)c1 82146409 QNMMJDYOVUPWIY-KSZLIROESA-N 380.536 4.463 0 1 GIAF O=C(Cc1cc(F)cc(F)c1)Nc1cc(COCc2ccc(F)cc2)ccn1 95592966 HRPHEPIAXRGWIS-UHFFFAOYSA-N 386.373 4.397 0 1 GIAF CN(C)CCSc1cc(-c2cn[nH]c2)ccc1NC(=O)NCc1ccccc1 140310957 RWHYCJQLNMIKGT-UHFFFAOYSA-N 395.532 4.052 0 1 GIAF CCC(=O)[C@@H]1[C@@H]2CC[C@@H](C[C@@H]1c1ccc(/C=C/I)cc1)N2 142060544 ZSIIPJGEQMLBAQ-CSCYEHOYSA-N 395.284 4.296 0 1 GIAF CC(=O)CC[C@@H]1[C@H]2[C@H](O)[C@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@]12C 195370935 MZRGOEIFXVZAOF-VPGMHQKBSA-N 384.516 4.270 0 1 GIAF CCCCOc1ccc(C[C@@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)O)cc1 299806912 HGBMFQJSXPXALW-SFHLNBCPSA-N 389.536 4.440 0 1 GIAF Cc1ccc(NC(=O)Nc2ccc(-c3nc[nH]c4ncc(C)c3-4)cc2F)cn1 473154347 GKWAUBXPUOQJON-UHFFFAOYSA-N 376.395 4.371 0 1 GIAF COc1ncccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336125 JDIWSPTUICAHMP-SIKLNZKXSA-N 379.387 4.209 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3CCOC3=O)c1)CC2=O 587475479 OPDICQNZNCITPX-QFIPXVFZSA-N 381.428 4.182 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCc3noc(C)n3)cc1)CC2=O 587482864 LBDNBPTUVDYYLM-FQEVSTJZSA-N 394.427 4.322 0 1 GIAF Cc1cc(C)c2c(c1)[C@]1(C=C(C(=O)O)O2)CC(=O)c2ccc3c(c2O1)CCCC3 587531653 KMXKXNWFNDUEDY-XMMPIXPASA-N 390.435 4.404 0 1 GIAF CN(C)/C=C/[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570114 IBADXWVBGZEPDJ-ZZPVFWNSSA-N 387.435 4.325 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N(C)C)c2)N1 587755451 OKRYLXPEHKNYQE-BLVKFPJESA-N 377.301 4.452 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C[C@H]2CCCO2)N1 587758373 XAAUMXXCJTYNPC-BBEGDGIKSA-N 393.300 4.192 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C3CCCC3)CC2)N1 587766763 HQMOSOWBRWRYGN-CYBMUJFWSA-N 381.333 4.356 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3nnco3)cc2)N1 587796171 PLRKIZWPCYBUHM-BTDLBPIBSA-N 388.240 4.262 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cc(C(=O)O)ccc32)N1 587824384 BKTWJPMPCDGSBG-DGIBIBHMSA-N 390.252 4.010 0 1 GIAF CCN1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(=O)OC)C1 1772575572 FCPKPDNIAJHVCO-UHFFFAOYSA-N 393.896 4.210 0 1 GIAF O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2cccnc2)CC1 1772618228 QXAAUDQDZIGFKZ-IYARVYRRSA-N 398.459 4.264 0 1 GIAF CC(=O)O[C@@H]1CC(C)=CCC[C@H](C)CC(=O)CC2=C[C@@H](OC2=O)[C@@H]1C(C)C 1857742380 QWGSYRKRZRCPAG-RKTMXUFFSA-N 376.493 4.158 0 1 GIAF CCN=c1cc(-c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2OC)cc[nH]1 1857774518 CNEMFIUXUQGRJE-UHFFFAOYSA-N 392.459 4.264 0 1 GIAF CCN(CC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)Cc3sc(C)nc3[C@H](C)[C@H]2[C@@H]1O 2356313761 YFVIBFOAEBKBDI-UXVOSIRTSA-N 378.582 4.009 0 1 GIAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccc(Cl)c(Cl)c3)C[C@H]12 205210641 PBKGYORJZSMJEE-WMLDXEAASA-N 375.255 4.177 0 3 GIAF CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(F)cc2)cc1 3814750 MOHZCSPHJUIPJF-UHFFFAOYSA-N 384.354 4.305 0 1 GIAF CCO[C@H](c1ccccc1)c1ccc2c(c1)CN(Cc1cn(C)nc1C)CCO2 14987014 TUYGZZWUCYOMDJ-XMMPIXPASA-N 391.515 4.249 0 1 GIAF Cc1cnc(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cn1 28571285 QCQCMNUQTMIKHU-UHFFFAOYSA-N 382.427 4.238 0 1 GIAF CCN(CC)CCCc1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 40849207 AUHYRWVVNSBAQV-HSZRJFAPSA-N 397.515 4.165 0 1 GIAF CCOc1ccc(Cc2nc3cc(N(C)C(C)=O)ccc3n2CC2CC2)cc1 40873227 KELZVQBRJRABQQ-UHFFFAOYSA-N 377.488 4.419 0 1 GIAF Cc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1OC(F)F 45320736 VAGNIGUPUKCGAY-SNVBAGLBSA-N 384.814 4.225 0 1 GIAF O=C(Nc1ccc(F)cc1)NS(=O)(=O)[C@H]1CCCCCCCCCCC1=O 103176245 WGWXWQXMDZTJCD-SFHVURJKSA-N 398.500 4.129 0 1 GIAF COc1ccc(-n2c(O)c(-c3ccccc3)n(-c3ccc(OC)cc3)c2=O)cc1 169719330 QJHGPDBEGCENKW-UHFFFAOYSA-N 388.423 4.018 0 1 GIAF O=S(=O)(c1ccc2nc(CSCc3ccsc3)[nH]c2c1)C(F)(F)F 587026897 NCMNIZIFSIJWPM-UHFFFAOYSA-N 392.449 4.351 0 1 GIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587051650 QVHAJHUBELLXLO-UHFFFAOYSA-N 383.761 4.238 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3ccc(OC)cc3C(F)(F)F)[nH]c2c1 587096747 BCHGWWGWTOGVCU-UHFFFAOYSA-N 378.350 4.363 0 1 GIAF O=S(=O)(c1ncccc1-c1nc2c(Cl)cc(Cl)cc2[nH]1)C(F)(F)F 587127027 KUFRGNFYBSEYIA-UHFFFAOYSA-N 396.177 4.225 0 1 GIAF O=C(O)Cc1c(CCC(=O)c2ccc(Cl)cc2)nc2cccc3c2c1CC3 587209209 KAOLTLWRSCDKGC-UHFFFAOYSA-N 379.843 4.429 0 1 GIAF CC1=C(c2ccc3[nH]c(-c4ccc(-c5ccccc5N)cc4)nc3c2)NNC(=O)C1 587250237 YNZPOEFEMITJEY-UHFFFAOYSA-N 395.466 4.235 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4)cc1O)[C@@H](C2)C3=O 587442828 MEIGNOKSXHYKEV-YADARESESA-N 388.419 4.469 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1cccnc1 587578027 PPIWPNUEPBVATO-OFNKIYASSA-N 384.391 4.281 0 1 GIAF CCOC(=O)C[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587795699 JAAHUTNLENHALW-PJFSTRORSA-N 398.316 4.461 0 1 GIAF Cc1[nH]nc2c1[C@@]1(CC(C)(C)C2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798630 UPKVOLUXMJWJAW-APBUJDDRSA-N 392.316 4.370 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(C)(C)O)N1 587824537 CDCQXOSHAQBEIT-CWTRNNRKSA-N 378.285 4.137 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cc(OC)ccn1 587864123 FMNUFUIHNSVBSR-UHFFFAOYSA-N 391.349 4.060 0 1 GIAF Cn1c(=O)n(-c2cc(-c3cc(Cl)ccc3F)[nH]c3nccc2-3)c2ccncc21 1857573234 HESAPDRVFTXZTE-UHFFFAOYSA-N 393.809 4.012 0 1 GIAF Cc1cc(Nc2ncnc3ccc(-c4cccc(N5CCOCC5)c4)cc23)on1 1857643790 PCXYFTZRCKMCOM-UHFFFAOYSA-N 387.443 4.173 0 1 GIAF COc1cccc(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)c1 1857644277 NEEAWPSSFCWNJY-UHFFFAOYSA-N 393.464 4.414 0 1 GIAF COc1cccc([C@H]2C[C@@H](c3c(Cl)cccc3Cl)n3nc(N)nc3N2)c1 12469457 SRPHZJWELMANIS-CABCVRRESA-N 390.274 4.322 0 3 GIAF aggregator O=C(O)C1=C[C@@H](c2csc3ccccc23)C[C@@H](OCc2ccc(CO)cc2)O1 13634632 RBHZUPHSSLTKON-IERDGZPVSA-N 396.464 4.409 0 3 GIAF Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(O)C(N)=O)c1 13604024 NMDYSEZVUKKJER-UHFFFAOYSA-N 387.823 4.152 0 1 GIAF O=C(Nc1cccc(Cc2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1 14959366 JYYRFSFIFTZMIR-HXUWFJFHSA-N 376.500 4.397 0 1 GIAF OCCN1CCN([C@@H]2C[C@H](c3ccc(Cl)cc3Cl)c3ccccc32)CC1 28088584 MURQASUUFILVAE-PZJWPPBQSA-N 391.342 4.180 0 1 GIAF OCCN1CCN([C@H]2C[C@H](c3ccc(Cl)cc3Cl)c3ccccc32)CC1 28088591 MURQASUUFILVAE-FPOVZHCZSA-N 391.342 4.180 0 1 GIAF COc1ccc(-c2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N)s2)cc1 36107909 MTCZEVSIJJXNKW-UHFFFAOYSA-N 399.468 4.263 0 1 GIAF CC(C)(C)[C@H](CO)NCc1coc2cccc(OCC3CCCCC3)c2c1=O 53314092 OEQMESOVIVPDBC-FQEVSTJZSA-N 387.520 4.249 0 1 GIAF CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2nc3cc(Cl)ccc3o2)CC1 66114482 RQDKCVYJKYJYMY-UHFFFAOYSA-N 393.871 4.457 0 1 GIAF CCOc1ccccc1-c1nc(CN[C@H]2CCN(Cc3ccccc3)C2)co1 72103015 TZDVAAAXKVVOTN-IBGZPJMESA-N 377.488 4.104 0 1 GIAF CCCCCN(CCCCC)c1nc2nn(C)cc2c2nc(-c3ccco3)nn12 95575155 KULSLKRKVJIVSJ-UHFFFAOYSA-N 395.511 4.458 0 1 GIAF Cc1nccn1-c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 103290254 LXIVCWUSTWHNJI-UHFFFAOYSA-N 382.272 4.288 0 1 GIAF NC(=O)c1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)nc(-c3ccco3)c2)o1 216433920 IPSGBIPLBUREAP-UHFFFAOYSA-N 375.340 4.276 0 1 GIAF O=C(O)C[C@H](NC(=O)c1cccc(-c2ccccc2)n1)c1ccccc1Cl 223468494 NSBKROIENLTRLM-IBGZPJMESA-N 380.831 4.348 0 1 GIAF O=C(N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1)N1CCc2ccccc21 299831787 RVASTLBGQSSVAQ-UHFFFAOYSA-N 392.434 4.238 0 1 GIAF CC(C)Oc1cccc(-c2cc(-c3ccc(N4CCNCC4)cc3)cnc2N)c1 299837561 RKDQGZMGXVSYJY-UHFFFAOYSA-N 388.515 4.195 0 1 GIAF CC(C)CCOC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989393 HIWXELMEJXMMPX-UHFFFAOYSA-N 375.424 4.284 0 1 GIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(N)c(N)cc2[nH]1 587034465 NFBGFMNEHTZWHO-CQSZACIVSA-N 379.489 4.213 0 1 GIAF CSc1ccc2nc([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 587038348 RHGNWLMMTVWXOT-SNVBAGLBSA-N 385.518 4.032 0 1 GIAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(O)nc(=N)[nH]c2[nH]1 587071673 MMUBPIOBYPMVFU-CKRBCLJCSA-N 390.274 4.144 0 1 GIAF O=C(Cc1ccccc1)NCCc1nc2cccc(OCc3ccccc3)c2[nH]1 587228959 VOIPNJHAVQZCAC-UHFFFAOYSA-N 385.467 4.043 0 1 GIAF Nc1ccc(/C=C\c2nc3c(Br)cnc(Br)c3[nH]2)cc1 587251948 RWPIDEHVRPVART-UTCJRWHESA-N 394.070 4.236 0 1 GIAF COc1ccc2c(c1)C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352468 OLPVKQIFONPZIU-UPVQGACJSA-N 390.410 4.436 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(F)c(F)c1O)O2 587382897 VMIDJSULXLFCSJ-GFCCVEGCSA-N 384.176 4.030 0 1 GIAF CCOC(=O)[C@]1(c2cccc3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587400130 NYZUBPQXPKWIRI-HSZRJFAPSA-N 375.424 4.154 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(S(=O)(=O)CC3CCCC3)cc1)O2 587410088 QDZJLPJEYKYBTQ-NRFANRHFSA-N 399.512 4.248 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(C)c1F)[C@@H](C2)C3=O 587423376 IWQLNHWEBPUVIT-UGSOOPFHSA-N 377.209 4.394 0 1 GIAF CCN1CCC[C@@H]1Cn1c(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587429355 BGXOUEJJKNCVHO-WSCWJOSJSA-N 394.515 4.087 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C(N)=O)cc3)o1)CC2=O 587470394 MIAYUYSCBSRQHU-OAQYLSRUSA-N 391.423 4.410 0 1 GIAF Cc1nc(Cc2ccc(Cl)cc2)sc1-c1ccc2c(O)nc(O)nc2n1 587563839 LMUUSHZXBKCTAU-UHFFFAOYSA-N 384.848 4.112 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc2c1OCOC2 587567440 ANWXKLFIPQOYHW-XMSQKQJNSA-N 394.354 4.101 0 1 GIAF CCOCc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611436 INWQZVQFDRBGEC-YLJYHZDGSA-N 383.425 4.088 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2[nH]ccc2Br)N1 587675698 AXCDFKLSMMPYII-CPFSXVBKSA-N 388.078 4.302 0 1 GIAF COc1n[nH]c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc12 587791476 FWOWHSHGWGONOS-XLFHBGCDSA-N 390.256 4.097 0 1 GIAF COc1ccc(COC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587799139 AJBSQNALZQDOKZ-HXPMCKFVSA-N 394.284 4.389 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C)(C)[C@H]1CC[C@@]2(C(=O)O)C1 587828620 UMPMTCGRRYXJTG-GDPFPQQOSA-N 396.300 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc(O)cc32)N1 587834120 QYWBPWKMVRVRIY-WLRWDXFRSA-N 376.269 4.408 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)NCC(F)(F)F 587855646 OGMUQCNLHNCVBT-UHFFFAOYSA-N 382.169 4.376 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccnc(Cl)c2Cl)N1)C(F)(F)F 962720173 ZDQRBODOEUWMOO-AAEUAGOBSA-N 375.177 4.124 0 1 GIAF c1ccc(Cn2nccc2-c2ccc3nnn(-c4ccc5c[nH]nc5c4)c3c2)cc1 1857569634 LWORIJIUJKUVBM-UHFFFAOYSA-N 391.438 4.209 0 1 GIAF CC(C)c1ccc(/C=C2/C=C(CC(=O)Nc3nn[nH]n3)c3cc(F)ccc32)cc1 1857570126 OJVUGNRMPNICSM-SXGWCWSVSA-N 389.434 4.429 0 1 GIAF C[C@@H]1CCC[C@H]2OC(C)(C)O[C@H]2CCC=Cc2cc(O)cc(O)c2C(=O)O1 2356328680 YQBDPTQRQMXVTH-JEBQAFNWSA-N 376.449 4.141 0 1 GIAF Cc1cc(Oc2cc(C)cc3c2C[C@H](C(C)(C)O)O3)c2c(c1)O[C@@H](C(C)(C)O)C2 2356693089 XBQWKMGDQPZNKX-FGZHOGPDSA-N 398.499 4.245 0 1 GIAF CC(C)C[C@@H](COc1ccccc1)N1CCN(CCc2ccccc2)CCC1=O 12474510 DJDXKVAQPLDBJG-QHCPKHFHSA-N 394.559 4.257 0 3 GIAF COc1cccc2cc(-c3nnc(Nc4c(F)cccc4F)s3)c(=O)oc12 2956030 MCIZRQWBAVHOCJ-UHFFFAOYSA-N 387.367 4.342 0 1 GIAF O=C(Cn1cc2c(n1)CCCC2)Nc1ccc(Cl)cc1C(=O)c1ccccc1 5146783 OGICALDCIYQPGM-UHFFFAOYSA-N 393.874 4.285 0 1 GIAF Cc1cc(NC(=O)[C@@H]2C(=O)N3c4ccccc4Sc4cccc2c43)sn1 26157313 UHRFTXHCMBIHRK-MRXNPFEDSA-N 379.466 4.317 0 1 GIAF C[C@@]1(O)CC(=O)O[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1 27517461 ZHHBFCYFYVLXKD-JTSKRJEESA-N 394.496 4.292 0 1 GIAF O=C(Nc1ccc2ccccc2c1)[C@@H](c1c[nH]c2ccccc12)P(=O)(O)O 28604285 BTRJCBFYYHFVKD-LJQANCHMSA-N 380.340 4.179 0 1 GIAF CN(C)c1ccc(Nc2nc(Cl)nc3c2ncn3Cc2ccccc2)cc1 28767850 QWLDLPHCDZVZGO-UHFFFAOYSA-N 378.867 4.338 0 1 GIAF COc1ccccc1CNCCCCN1C(=O)c2cccc3cccc(c23)C1=O 45244999 WIIMCIYAJYHFJR-UHFFFAOYSA-N 388.467 4.014 0 1 GIAF COc1cc(O)c2c(c1Cc1ccccc1O)O[C@H](c1ccc(O)cc1)CC2=O 71333456 BOEWXOMRJRXFIU-FQEVSTJZSA-N 392.407 4.109 0 1 GIAF biogenic Cc1ccc2oc(=O)cc(COc3ccc(I)cc3)c2c1 103264152 QXYWRKABFJOHLY-UHFFFAOYSA-N 392.192 4.285 0 1 GIAF Cc1c(N(Cc2ccc(F)c(F)c2)S(=O)(=O)N(C)C)sc2ccccc12 115232106 AXAOYOBDERAWCB-UHFFFAOYSA-N 396.484 4.301 0 1 GIAF CN1Cc2cc(Cl)ccc2-n2c(nnc2[C@H]2CC[C@@H](c3ncccn3)CC2)C1 148259109 YGLZYJJKTLTEJP-SHTZXODSSA-N 394.910 4.098 0 1 GIAF CC(=O)N1CCc2c(c(-c3cccc(C#N)c3)nn2[C@@H](C)c2ccc(F)cc2)C1 204890727 RYTBGHVRJZEDBS-HNNXBMFYSA-N 388.446 4.075 0 1 GIAF Cc1cc(-c2n[nH]c3c(F)c(NC(=O)N[C@H](C)c4ccccc4)ncc23)ccn1 205434082 BFJPZAFZUSMZJO-CYBMUJFWSA-N 390.422 4.350 0 1 GIAF Cn1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)ccc2F)cn1 205951283 YLBAUILBKHRTFL-UHFFFAOYSA-N 379.313 4.377 0 1 GIAF CC[C@@H]1c2cc(Cl)ccc2C(=O)N1c1cncc2c1CCC[C@H]2NC(C)=O 224484417 AHGMMDGLVYRHKC-RTBURBONSA-N 383.879 4.360 0 1 GIAF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255263253 RRIGGXWWSAHMHN-VPKNDNEBSA-N 376.537 4.281 0 1 GIAF CC(=O)[C@H](C)N(CC(F)(F)F)c1ccc2nc(O)cc(C(F)(F)F)c2c1 473235221 RRJOVWZDHOLHCI-QMMMGPOBSA-N 380.288 4.305 0 1 GIAF Cc1ccc(-n2ccnc2SCc2nc3cc(F)cc(C(=O)O)c3[nH]2)c(C)c1 586967095 WGMOEHAYGJURNA-UHFFFAOYSA-N 396.447 4.495 0 1 GIAF CSc1ncc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(=N)[nH]1 587102928 SJVQQWIQOOQUBR-UHFFFAOYSA-N 384.464 4.346 0 1 GIAF CC(=O)N[C@H](Cc1nc2cc(C)c(Br)cc2[nH]1)c1ccc(C)cc1 587207104 QVALNJRAEZSZOZ-MRXNPFEDSA-N 386.293 4.362 0 1 GIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 587242696 ZPMZHUOFDCITRM-UHFFFAOYSA-N 394.431 4.167 0 1 GIAF CC1(C)[C@@H]2C[C@H]1[C@@](C)(O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346809 AJVUKXMVTFSSAH-FDWUIJNOSA-N 396.458 4.446 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(C4OCCO4)c1Cl)[C@@H](C2)C3=O 587421823 ARLDCBMETZBVDT-HXPMCKFVSA-N 390.794 4.022 0 1 GIAF COc1ccc(C(=O)c2c(C(F)F)[nH]c3c(C(=O)O)cccc23)cc1OC 587637485 KGRKECVSGIMJBX-UHFFFAOYSA-N 375.327 4.052 0 1 GIAF CCn1ncc([C@@]2(CC)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587763602 KJXYFDSAIBREFH-VOJFVSQTSA-N 380.305 4.301 0 1 GIAF CC(C)n1ccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587763609 KNDNHTKPAJZGLC-KZULUSFZSA-N 380.305 4.358 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587795783 JHXIKPXEULAVQX-NCPSFGDWSA-N 398.316 4.317 0 1 GIAF Cc1ccc2c(c1)OC[C@@]1(CO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587836706 XLCXZOOWNFLDNW-HXPMCKFVSA-N 392.268 4.098 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3oc(=O)ccc3c2)N1 587840611 ZZMLCBUNCQMONA-DGIBIBHMSA-N 388.236 4.318 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc(C(=O)O)c1 587860307 QOPFYLCLHCXIRX-UHFFFAOYSA-N 378.215 4.338 0 1 GIAF COc1ccc(-c2n[nH]cc2[C@@H]2c3c(F)cccc3C[C@H]3CCCN32)cc1OC 963114127 RSXSARULHBVXMN-WAIKUNEKSA-N 393.462 4.343 0 1 GIAF Cc1cc2c(cc1O)[C@@](C)(Cc1cccc(Cl)c1Cl)N[C@H](C(=O)O)C2 963491407 NITPASJJGUODIK-HNAYVOBHSA-N 380.271 4.064 0 1 GIAF CCc1nn(C)c(CC)c1Oc1nn(-c2ccc(C(=O)O)cc2)c2ccccc12 1772622186 OMFBRZZIGBYCML-UHFFFAOYSA-N 390.443 4.374 0 1 GIAF Nc1ncc(C2CCOCC2)cc1-c1ccc(C(=O)NCc2ccccc2)cc1 1772628144 KAIHBTMMCBRIDI-UHFFFAOYSA-N 387.483 4.155 0 1 GIAF Cc1ccccc1-n1nccc1-c1ccc2nnn(-c3ccc4c[nH]nc4c3)c2c1 1857571009 RWFZPPXCXZFPIL-UHFFFAOYSA-N 391.438 4.458 0 1 GIAF Cc1cc(C)cc(S(=O)(=O)c2c(C(N)=O)[nH]c3c(Cl)cc(Cl)cc23)c1 3606713 JWDOZWKIUFPPSM-UHFFFAOYSA-N 397.283 4.023 0 1 GIAF CC(=O)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 3874738 DIJBBUIOWGGQOP-MTPZLDIWSA-N 396.549 4.342 0 1 GIAF CCN1CCN([C@@H]2Cn3cccc3Sc3ccc(Br)cc32)CC1 22925271 PHGLWACKDGVPPP-MRXNPFEDSA-N 392.366 4.094 0 1 GIAF NC(=O)[C@H](NC(=S)Nc1cccc(Cl)c1)c1c(Cl)cccc1Cl 26376404 KSUSMKTVXTXVHT-CYBMUJFWSA-N 388.707 4.160 0 1 GIAF CN1CCN(CCCOc2ccc(-c3cc(-c4ccc(F)cc4)no3)cc2)CC1 28382821 TWMURRWARVODEL-UHFFFAOYSA-N 395.478 4.164 0 1 GIAF COc1cc([C@@H]2[C@@H]3C=CC=C4CC=CC(=C43)[C@@H]3CCC(=O)N32)cc(OC)c1OC 31897472 UZISGKOETGDJKE-IEGUWTFLSA-N 391.467 4.127 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4CCCC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 33820745 ZHCAAZIHTDCFJX-RTHCORENSA-N 392.580 4.478 0 1 GIAF C[C@H]1c2c[nH]nc2-c2cc(F)ccc2N1S(=O)(=O)c1ccc(Cl)cc1 45256348 OTXHDBQTORDBPA-JTQLQIEISA-N 377.828 4.139 0 1 GIAF NCCCCCNc1nc(Nc2ccc(F)cc2)nc(-c2cccc(F)c2)n1 45367732 BFJFLUXPJLWGIY-UHFFFAOYSA-N 384.434 4.101 0 1 GIAF O=C(O)Cn1c2c(c3cc(Cl)ccc31)CCN(Cc1ccccc1)C2=S 82156806 ITDKTVUYOKIPFE-UHFFFAOYSA-N 384.888 4.113 0 1 GIAF CC(C)NC[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)CC1CC1 95664002 BZNYZFKVAGNWDK-VDKIKQQVSA-N 396.575 4.097 0 1 GIAF C[C@@H](Nc1c(Nc2ccnc(Nc3ccccc3)c2)c(=O)c1=O)c1ccccc1 100081704 YWUUUUILIRAHAZ-OAHLLOKOSA-N 384.439 4.338 0 1 GIAF CCOC(=O)C1=C(C)Oc2nc3c(c(N)c2[C@H]1c1cccs1)CCCCC3 103220665 YLPZIZYLSQQFMP-KRWDZBQOSA-N 384.501 4.356 0 1 GIAF O=c1ccc(-c2cc3c(cc2F)[C@@H](c2ccc(Cl)c(Cl)c2)CNC3)n[nH]1 139623561 OLXVUIIXACCIHX-CQSZACIVSA-N 390.245 4.118 0 1 GIAF O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccccn1 169295372 VFVLWHDKTBYUNI-PRTQVNTJSA-N 380.447 4.325 0 1 GIAF C[C@@H]1CCc2c(c(O)n(-c3cc(Cl)ccc3OC(=O)c3ccco3)c2O)C1 169688316 XATAERCBWFBHBO-LLVKDONJSA-N 387.819 4.479 0 1 GIAF O=C(O)c1ccccc1/C=C/c1nc2c(Cl)c(Br)cnc2[nH]1 586882491 VZYMGSMIFQLGQL-AATRIKPKSA-N 378.613 4.242 0 1 GIAF O=[S@](CCCc1nc2ccc(F)cc2[nH]1)c1ccc(Br)cc1 586958002 CCWMANUHFHXNNY-JOCHJYFZSA-N 381.270 4.205 0 1 GIAF Cc1ccc2c3c(cc(-c4ccccc4OCC(N)=O)nc13)-c1ccccc1C2=O 586996880 QRRGQEDYACNVDX-UHFFFAOYSA-N 394.430 4.286 0 1 GIAF Clc1nc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)cc2ccccc12 587085830 JXRPTDYPRLOKKP-UHFFFAOYSA-N 378.863 4.264 0 1 GIAF COc1ccc(Br)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F 587382049 NRQHBDVOOMHOAB-AWEZNQCLSA-N 380.213 4.194 0 1 GIAF Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 587410669 VOYRHIDGOJYTQU-IRLDBZIGSA-N 399.512 4.006 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(Br)c1OC)[C@@H](C2)C3=O 587424642 QPDVSFCWABZURP-DYZYQPBXSA-N 393.208 4.094 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(Br)cnn1CC)CC2=O 587457990 OYKVIYLCIMFPHP-SFHVURJKSA-N 393.281 4.204 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1CCc1ccncc1)CC2=O 587471513 SJCGEPMZQMVGDD-JOCHJYFZSA-N 376.456 4.490 0 1 GIAF COC(=O)COc1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587526612 YSNMGNVXDHAJIV-NRFANRHFSA-N 394.467 4.441 0 1 GIAF CC(=O)c1cc(N)cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587581262 VHIVNFYNXWIHPS-OFNKIYASSA-N 389.407 4.054 0 1 GIAF CCc1nc(C)c(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)s1 587660331 AWXAUDPDDOTJJC-UHFFFAOYSA-N 393.443 4.218 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ncc(F)cc23)N1 587734378 RBGBRRIQFDIKPT-ZKANADHPSA-N 378.220 4.227 0 1 GIAF COc1cncc(CC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587776626 YJKDKUOGRUPOJD-BDJLRTHQSA-N 379.273 4.200 0 1 GIAF COc1ccc2c(c1)[C@]1(CCN2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789892 BULCYCAFUXCEDS-WLRWDXFRSA-N 391.284 4.190 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ncon3)cc2)N1 587796106 PFNRPRJMCYWMIM-BTDLBPIBSA-N 388.240 4.262 0 1 GIAF CCOc1cc(C(C)=O)c(OCC)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587938417 VUSLLHFYZWKCGA-UHFFFAOYSA-N 394.427 4.238 0 1 GIAF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccnc(Br)c1 587939086 BKCVVQRUPGDMAU-UHFFFAOYSA-N 391.290 4.014 0 1 GIAF Cc1cc(OC(C)(C)C)n(-c2cc3cnccc3c(Br)n2)c1O 587942271 UYCHIIGBGYRIGF-UHFFFAOYSA-N 376.254 4.374 0 1 GIAF O=C(NC1CC1)c1ccc([C@@H]2c3ccsc3CCN2Cc2ccco2)cc1 962713161 TYMBHHLPAOLUNS-OAQYLSRUSA-N 378.497 4.381 0 1 GIAF Cc1sc2c(c1C)CCN[C@H]2c1cc(I)ccc1F 963008841 KDVRYGLZJABCJA-AWEZNQCLSA-N 387.261 4.344 0 1 GIAF CCOC(=O)c1cccc([C@@]2(CC(C)(C)C)NCCc3c(C(=O)O)cccc32)c1 963122471 NHYOZBQDIAHIFN-XMMPIXPASA-N 395.499 4.387 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](c2cc(F)cc(Cl)c2)(C2CC2)N1 963219174 CYMJSILFJQRXCG-IRLDBZIGSA-N 396.849 4.280 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cnc(-c2cccc(C)c2)nc1 963604708 FDXVMPCMJJGVLD-IVZQSRNASA-N 375.472 4.093 0 1 GIAF FC(F)(F)[C@@H](Cc1ccccc1)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857618520 RZKZFFWUWPPNTB-GOSISDBHSA-N 395.388 4.094 0 1 GIAF O=C1CCC(c2nc3cc(Nc4ccc(C(F)(F)F)cn4)ncc3[nH]2)CC1 1857643385 MSQQHPWJGPTTRS-UHFFFAOYSA-N 375.354 4.342 0 1 GIAF C[C@]12CC[C@H](O)C[C@H]1CCC1=C3C[C@H](O)[C@H](c4ccc(=O)oc4)[C@@]3(C)CC[C@H]12 2356600268 GJXJCPZVJOLKQN-GXKXWLQPSA-N 384.516 4.162 0 1 GIAF CCN(CC)CCOc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1 1625547 YRFIETZTXFJZDJ-UHFFFAOYSA-N 387.520 4.218 0 1 GIAF CS(=O)(=O)c1ccc(-c2cc3c(cc2Cc2ccccc2F)OCO3)cc1 13530421 ZAJPJINOKFOWJK-UHFFFAOYSA-N 384.428 4.216 0 1 GIAF CC[C@@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c2c([C@H](O)CC)cc(=O)oc12 14586066 LVYGPLHUPURZDF-IUODEOHRSA-N 388.460 4.385 0 1 GIAF biogenic,in-vitro O=c1[nH]c(CCCN2CCC(c3ccccc3)CC2)nc2c(Cl)cccc12 28954792 ZUWRJCHNQXZPKT-UHFFFAOYSA-N 381.907 4.389 0 1 GIAF CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@]1(C)Cc2cc(N(C)C)ccc2C1=O 40766792 OAOYTMIQVWMWNZ-WHFJZTGXSA-N 389.499 4.221 0 1 GIAF CC(C)c1nc2nc(N3CC=C(c4ccc(Cl)cc4)CC3)ccc2[nH]c1=O 82231806 CBYYKNPPIJVBBI-UHFFFAOYSA-N 380.879 4.389 0 1 GIAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1c(F)cn2c(C(C)C)nnc2c1F 84730828 CISFVKKPZULDQC-UHFFFAOYSA-N 388.393 4.138 0 1 GIAF Cc1nc(N2[C@H](CO)[C@H](c3ccccc3)[C@H]2CNCC2CCCCC2)sc1C 95871906 MGPJLJDDQUXRAB-YPAWHYETSA-N 399.604 4.263 0 1 GIAF O=C(Nc1cccnc1)C(=O)c1cc(Cc2ccc(Cl)cc2)n2ccccc12 136873598 FVPAKTWMPJJNNZ-UHFFFAOYSA-N 389.842 4.400 0 1 GIAF O=S(=O)(NCC1CC1)c1ccc(NC2CCCCC2)cc1C(F)(F)F 144651085 VVDBGAGVTDFSCQ-UHFFFAOYSA-N 376.444 4.138 0 1 GIAF CC(C)(C)NC[C@H](O)COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 169317395 KXQRDLJDRHMIFJ-KRWDZBQOSA-N 391.899 4.112 0 1 GIAF CC(C)(C)OC(=O)NCCCCCN1CCC(O)(c2ccc(Cl)cc2)CC1 169327095 RZIVHWYBTWTWME-UHFFFAOYSA-N 396.959 4.318 0 1 GIAF C[C@H](O)[C@@H](CCCCCCC(=O)O)CCC[C@H](O)COc1ccc(F)cc1 197220598 XOKYYLJNBXELLF-LNLFQRSKSA-N 384.488 4.158 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)c5ccc[nH]5)CC[C@H]4[C@@H]3CC[C@H]12 299819464 ADCZPIWAYHWQLK-FOSSAINHSA-N 380.532 4.453 0 1 GIAF CN(C)C(=O)[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1 473182985 FMDLOMGRPSJQTO-ONFALJKLSA-N 396.575 4.022 0 1 GIAF FC(F)(F)Oc1cc(Br)c2[nH]c(C3CC4(COC4)C3)nc2c1 586918371 XOHIHFIXSNPVCA-UHFFFAOYSA-N 377.160 4.118 0 1 GIAF N=c1[nH]c2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc-2c(Cl)[nH]1 587094575 CALBMFUDEVGDRC-UHFFFAOYSA-N 381.667 4.075 0 1 GIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2cncc(Br)c2[nH]1 587116082 MTCARKZTWRHTRQ-UHFFFAOYSA-N 394.154 4.349 0 1 GIAF COC(=O)c1cc2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc2cc1OC 587134195 KFWXJELUDKAISK-ONEGZZNKSA-N 398.287 4.224 0 1 GIAF CC(C)CN1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587345576 QBXDRYOKSQSVNV-OAQYLSRUSA-N 383.463 4.381 0 1 GIAF Cc1ccc([C@@]2(C(=O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587355612 VOYQOPGPSPBZQX-NZQKXSOJSA-N 392.382 4.179 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3c(C)noc3C)cc1)O2 587394406 GLPIGBBWDMTRGM-NRFANRHFSA-N 378.428 4.468 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc4cc(Br)cnc4c1)[C@@H](C2)C3=O 587416759 DVNKIJWHRNPCFI-YWZLYKJASA-N 396.240 4.495 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccsc1C(=O)O)[C@@H](C2)C3=O 587452792 PMTJLCLMFPSHDW-KSFYIVLOSA-N 392.432 4.146 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCN(C)C)cc1)CC2=O 587470988 XMRWXRDATQANTP-QFIPXVFZSA-N 383.488 4.382 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCNc1c(F)cccc12 587566682 ACVPRRHMAQKQSI-GCJKJVERSA-N 377.371 4.204 0 1 GIAF Cn1cc2cccc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2n1 587581790 MUGKWSLKHCIMIJ-AUSIDOKSSA-N 386.407 4.156 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccc(C(F)(F)F)n1 587658298 KJABLRHUVSVHBD-UHFFFAOYSA-N 386.308 4.001 0 1 GIAF CO/C(C)=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587707322 TXXMAEVXFZONDO-LKAHLBKOSA-N 382.195 4.430 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Cl)cnc2Cl)N1 587707416 VNQLIKVYOZYAKF-QTTZVWFDSA-N 391.071 4.309 0 1 GIAF COc1cc(F)c2c(c1)CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587737464 FMOZJTQXOGVTKX-APBUJDDRSA-N 394.259 4.460 0 1 GIAF CCn1cc([C@@]2(CC)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587754085 CQNUURILRSGBKK-ADLMAVQZSA-N 380.305 4.301 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn([C@@H]3CCCCO3)n2)N1 587766712 WNEVRALIKKGSKI-CNOZUTPLSA-N 394.288 4.107 0 1 GIAF CCOC(=O)[C@@H]1CCCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587799219 RCYQKUBFYCCZDA-PTAUBWNISA-N 398.316 4.461 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(CN(C)C)cs2)N1 587844928 CPJLNYTVQLZDRI-QGHHPUGFSA-N 383.330 4.335 0 1 GIAF COc1ccc(-c2nc3ncc(Cl)c(NCC4CCN(C)CC4)c3[nH]2)c(C)c1 653799630 WYXKVCBANXZZQD-UHFFFAOYSA-N 399.926 4.349 0 1 GIAF C[C@]1(c2nc(Br)ccc2F)c2c(F)cccc2C[C@H]2CCCN21 963111911 WINOHSNDHHCUMD-KZULUSFZSA-N 379.248 4.406 0 1 GIAF O=C(Nc1ccc(N2CCCCC2)cc1)c1cccnc1NCc1ccncc1 1772572023 MGVBXBDZYXJEST-UHFFFAOYSA-N 387.487 4.331 0 1 GIAF CC(C)Cc1ccc([C@H](C)C(=O)NCCOc2ccc3oc(=O)ccc3c2)cc1 1772641752 STRMNDIHFLXQEH-KRWDZBQOSA-N 393.483 4.290 0 1 GIAF CC=C(C)C(=O)O[C@]1(C)C(=O)C[C@@H]2[C@@H]1CC[C@]1(C)[C@@H](OC(C)=O)CC=C(C)[C@@H]21 2356544324 LCPAXKXEUBDQBL-ANFPALQESA-N 388.504 4.158 0 1 GIAF O=C1CCC[C@H]2C[C@H](NCc3ccc(Br)cc3)CC[C@]23CCCN13 205705752 XXEJVSOVGATZRA-ILZDJORESA-N 391.353 4.253 0 3 GIAF C[C@H]1C[C@@H](O)[C@@]2(C)[C@@H](C)C(=O)CC[C@@H]2[C@@]1(C)COc1ccc2ccc(=O)oc2c1 14594096 XYUJBOZUFFMPGO-XTXJPPKXSA-N 398.499 4.200 0 1 GIAF endogenous,in-man Cc1[nH]c2ccccc2c1CC(=O)NCCC1CCN(Cc2ccccc2)CC1 43100706 LXCYBYBVIQAOJW-UHFFFAOYSA-N 389.543 4.437 0 1 GIAF CC(=O)Oc1c([C@H]2C=CCCC2)c(OC(C)=O)c2ccccc2c1OC(C)=O 45238543 WWNDGWFFIZIFHX-INIZCTEOSA-N 382.412 4.439 0 1 GIAF O=c1nc(SCc2ccccc2)nc(SCc2ccc(Cl)cc2)[nH]1 72141198 ZGTXTQCWNZHCTO-UHFFFAOYSA-N 375.906 4.403 0 1 GIAF O=C(COc1ccccc1Br)c1ccc(N2CCCCC2)nc1 73196343 SBXVGGFACXUTRM-UHFFFAOYSA-N 375.266 4.096 0 1 GIAF CC(C)CNc1ncnc2c1nc(C[C@@H](C)c1ccccc1)n2C[C@H]1CCCO1 82178086 LALBVDHICNMVBM-IEBWSBKVSA-N 393.535 4.419 0 1 GIAF COCCn1c(-c2cccs2)nc2c(NCc3ccc(C)cc3)ncnc21 82179275 UOGOFCNBXNOJCD-UHFFFAOYSA-N 379.489 4.122 0 1 GIAF COCCn1c(-c2ccc(OC)cc2)nc2c(NC3CCCCCC3)ncnc21 82187431 REGYTDFYMAXYOP-UHFFFAOYSA-N 395.507 4.283 0 1 GIAF CCC1=C(C(=O)OCC2CCCCC2)[C@H](c2ccc(O)c(Cl)c2)NC(=O)N1 84632199 YEHVRFCCYHBCLY-SFHVURJKSA-N 392.883 4.187 0 1 GIAF CC(C)Oc1nccc2c1C(c1cc(C(=O)N3CCCCC3)n(C(C)C)c1)=NC2 96175977 YFOOKYUWALOYNU-UHFFFAOYSA-N 394.519 4.228 0 1 GIAF COc1cccc(NC(=O)N2[C@@H]3CNC[C@H]2[C@@H]3c2ccc(-c3ccccc3)cc2)c1 100096112 AOUUDKICAHMIPP-BKFWDETESA-N 399.494 4.334 0 1 GIAF O=C(Nc1ccc(F)cc1F)[C@@H]1C(=O)N2c3ccc(F)cc3Cc3cccc1c32 101245656 NXSDBOWZMKJCFX-LJQANCHMSA-N 394.352 4.409 0 1 GIAF N[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 102788685 TVUMWUGUCFPKHP-XMMPIXPASA-N 377.775 4.292 0 1 GIAF Cc1ccccc1C(C)(C)C[C@@](O)(Cc1cc2ncncc2[nH]1)C(F)(F)F 103250774 YODZJEXOVOLTHE-IBGZPJMESA-N 377.410 4.470 0 1 GIAF COc1ccc(CN(C)Cc2cc(O)n3nc(-c4cccc(C)c4)cc3n2)cc1 103657037 VMKIZXZQYVOPOO-UHFFFAOYSA-N 388.471 4.051 0 1 GIAF Cc1c(-c2ccc(=O)n(CC(F)(F)F)c2)c2cc(Cl)ccc2n1CC(=O)O 117015751 YIIJLXGEQMZOJV-UHFFFAOYSA-N 398.768 4.079 0 1 GIAF CCCn1c(Oc2ccc3[nH]ccc3c2)nc2nc(C3CCCC3)[nH]c2c1=O 117373749 XXDULNLVFUDCAT-UHFFFAOYSA-N 377.448 4.461 0 1 GIAF c1ccc(Nc2ccc(Oc3nccnc3NCCc3ccncc3)cc2)nc1 139196195 RTFGXNQXGCQXQL-UHFFFAOYSA-N 384.443 4.457 0 1 GIAF CC(=O)O[C@H]1O[C@@H]2OC(=O)[C@@H]3CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]14[C@H]23 139561155 VZLZHRXSOUBJEF-LJBAJXPKSA-N 376.493 4.044 0 1 GIAF COC(=O)c1cncn1C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 141911679 USCCCCBREVBLPB-JVFZSLGPSA-N 396.531 4.444 0 1 GIAF Cc1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CNCC2 142459802 KZLNNSRPTSCUBS-UHFFFAOYSA-N 383.499 4.295 0 1 GIAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1SCC2)c1ccccc1 146078261 IBBNYQVPCFRLPB-MAUKXSAKSA-N 397.544 4.099 0 1 GIAF Cc1[nH]nc2ccc(-c3nc4ccc(C(=O)O)cc4nc3N(C)C(C)C)cc12 205430275 KFXZLYOKRQMVBM-UHFFFAOYSA-N 375.432 4.024 0 1 GIAF COc1ccc2c(c1)CCc1c(Cc3ccc(O)c(OC)c3)c(O)cc(O)c1-2 238786969 LSPBTAAQZIJJEA-UHFFFAOYSA-N 378.424 4.177 0 1 GIAF COc1ccc(S(=O)(=O)N2CCc3cccc(Nc4ccccc4)c32)cc1 299828360 IDQWHCICIAIQQE-UHFFFAOYSA-N 380.469 4.190 0 1 GIAF CCCCC[C@H](O)/C=C\[C@@H]1O[C@H]2O[C@@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F 328577287 GJCWJHMKKPOZIY-AACXZMKYSA-N 388.451 4.060 0 1 GIAF in-vitro COc1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2cn1 587026170 KFYYEZKIJLDENX-WBAXXEDZSA-N 396.516 4.103 0 1 GIAF O=S(=O)(c1ccc2nc(CCc3ccccc3Cl)[nH]c2c1)C(F)(F)F 587059424 QBIYBGZTLYKKDY-UHFFFAOYSA-N 388.798 4.295 0 1 GIAF CCOC(=O)c1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587202954 CMZBEBQFWMCLRA-MRXNPFEDSA-N 389.496 4.222 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Br)ccc2OC1(C)C 587371151 ISXQWJBNTAXWAS-LJQANCHMSA-N 388.261 4.371 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3cc(F)cc(Br)c31)O2 587386283 XFQCQRMSXOKXFQ-GOSISDBHSA-N 376.225 4.286 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587401786 YLKBRWYQNQWZCY-VUMVONDWSA-N 393.483 4.428 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)([C@@H](C)CN(C)C)CC2=O 587467062 BZRSAOVCFZNGMY-FYSMJZIKSA-N 397.515 4.412 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCC13CN(C(=O)OC(C)(C)C)C3)CC2=O 587475932 QZBGDSHGMOVJJP-JOCHJYFZSA-N 387.476 4.080 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1Cc1ccccn1 587578122 QGWSEFXOFVDDMY-URXFXBBRSA-N 398.418 4.340 0 1 GIAF CC[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608033 JBJDADJNEJOIDN-NFBKMPQASA-N 390.391 4.388 0 1 GIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ncnc2ccsc12 587656101 ASRJGPRKTIQYQL-UHFFFAOYSA-N 392.390 4.336 0 1 GIAF COc1cc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587722580 SSVBSWRXXRTAPJ-CQLKUDPESA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2-n2cccn2)N1 587756720 FCYZKDJWLYXGNR-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)CCN3)N1 587793794 LIOZCKHFZSKOQB-NSPYISDASA-N 375.285 4.354 0 1 GIAF CCOc1ccc(OCC)c([C@H]2c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1 962568674 LERHUSHCJZTDEB-IQMFZBJNSA-N 385.504 4.467 0 1 GIAF COc1ccc2c(c1OC)[C@](CC(=O)C(F)(F)F)(C(C)(C)C)N(C)[C@H](C)C2 962640670 RPHAFPDQEJNKCY-CWTRNNRKSA-N 387.442 4.343 0 1 GIAF O=C(CCc1ccc(OCc2ccncc2)cc1)NCCc1ccc(F)cc1 1857542476 HBKCAIHJZQFGPE-UHFFFAOYSA-N 378.447 4.091 0 1 GIAF C[C@H]1CCCN(CC(=O)Nc2ccc(Oc3cc(=O)oc4ccccc34)cc2)C1 1857558095 FXTQNNWODGGUQR-INIZCTEOSA-N 392.455 4.256 0 1 GIAF Fc1cccc(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c1 1857588956 MXWHUORWIGTFBA-UHFFFAOYSA-N 398.507 4.285 0 1 GIAF CCOC(=O)c1ccccc1CN1C[C@@H](C2CC2)N(C(C)=O)c2ccccc21 1857641186 YCZUCWZZZNMNOM-QFIPXVFZSA-N 378.472 4.015 0 1 GIAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1 1857750967 KMOVXEMCNRYRPZ-UHFFFAOYSA-N 394.466 4.236 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)CCC[C@](O)(CO)[C@H]2[C@@H]1OC(=O)C=Cc1ccccc1 2356508211 SHCWSGOALRNDNR-FGQYTZQDSA-N 386.532 4.207 0 1 GIAF CC1=C[C@H](C)[C@@H]2[C@H](C=C[C@H]3[C@H]2C(=O)C[C@H](O)CC(=O)O[C@@H](C)C=CC=C[C@H]3C)C1 2356798577 SRCLLXWLXDWBMK-MOLIYXHBSA-N 398.543 4.411 0 1 GIAF C[C@H]1C[C@H](C)CN(C(=O)c2ccc(CSc3nc4ccncc4[nH]3)cc2)C1 13118726 ULLZZWOHDXHGNY-GJZGRUSLSA-N 380.517 4.368 0 3 GIAF O=C(O)c1ccc(F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O 833256 HJCGNZCCPNYWJX-KSFYIVLOSA-N 378.399 4.476 0 1 GIAF CN(C)c1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)n1 13555167 ZMWVLGJNQIYFBB-UHFFFAOYSA-N 379.169 4.121 0 1 GIAF COC(=O)[C@H]1[C@@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccccc2OC)cc1 38192590 CXUONQXREPWOEC-NCYIFIOBSA-N 389.495 4.401 0 1 GIAF CCCC[C@@H](C)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN[C@@H]3C5 40510523 YMMSTFUUPZBVDO-SSQSKDKHSA-N 395.543 4.097 0 1 GIAF CCOC(=O)c1c(SCc2cccc(F)c2F)[nH]c2ccccc2c1=O 45302467 PSEQROQRRUVPKK-UHFFFAOYSA-N 375.396 4.275 0 1 GIAF CCn1cc(CN2CCC(C(=O)NCc3ccc(F)cc3)CC2)c2ccccc21 65060110 UXXUECWFIALGLY-UHFFFAOYSA-N 393.506 4.329 0 1 GIAF COCCNc1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccco2)n1 82166279 CAHFKKMSYHVYBD-UHFFFAOYSA-N 376.416 4.425 0 1 GIAF CCCCCn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCC3CC3)ncnc21 82179741 SUHSDZMEODKMIV-UHFFFAOYSA-N 393.491 4.292 0 1 GIAF Oc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1 96269558 OQYRBFHDQXGXBC-UHFFFAOYSA-N 382.467 4.329 0 1 GIAF C[C@@]1(Cc2ccccc2)OC(=O)c2c1ccn(CCc1ccc(Cl)cc1)c2=O 96909529 ZGCWGZACIPZDKE-QHCPKHFHSA-N 393.870 4.373 0 1 GIAF CCOc1cccc(C2(N3CCN(c4ccccc4N)CC3)[C@@H]3CC(C)C[C@H]32)c1 101685170 QJXIPVWSPUFINC-XGDXDOFDSA-N 391.559 4.361 0 1 GIAF C=CC(=O)Nc1ccc2ncnc(Nc3c(F)cccc3Br)c2c1 103297816 FWRJIMJJWCMNTF-UHFFFAOYSA-N 387.212 4.400 0 1 GIAF COc1ccc([C@@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3ncnn32)c(OC)c1 103943417 YHSMPQLKOILGAJ-LFVOPCPISA-N 398.463 4.110 0 1 GIAF NC(=O)c1ccc(-c2cc3c(cc2F)[C@H](c2ccc(Cl)cc2)CNC3)cc1 114516602 BEWPJYFILUTZHB-FQEVSTJZSA-N 380.850 4.480 0 1 GIAF CC(=O)OC[C@@H](CCO)CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C(=O)O)=CCC[C@H]12 142044468 NHICXBFHDXVLOW-VCHDQXCVSA-N 380.525 4.192 0 1 GIAF C[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1)C1(C)CC1 167050878 DUDPDYCVFDVEJG-CQSZACIVSA-N 381.451 4.292 0 1 GIAF COc1ccccc1N1CCN([C@@H](c2ccccc2)[C@@H](O)c2ccccc2)CC1 169334369 RYBKCSDAQTWVRQ-DQEYMECFSA-N 388.511 4.292 0 1 GIAF Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 261071578 AEONKHQDKWWIPC-TZWCSUAMSA-N 381.564 4.433 0 1 GIAF Ic1cccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587035815 UFKBWIIVQPYYDC-LBPRGKRZSA-N 396.253 4.086 0 1 GIAF CC(C)Oc1ccc2nc([C@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2c1 587132069 INBFTPCAQQESEA-CYBMUJFWSA-N 381.423 4.320 0 1 GIAF CN(C)C(=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587163389 PCDSHPOVHFQGSS-UHFFFAOYSA-N 387.414 4.302 0 1 GIAF CCOC(=O)[C@@H]1[C@H](C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351452 UUGBNHJSPRNXSP-QQVXAASVSA-N 398.430 4.238 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1CC=CC[C@@H]1C(=O)O)[C@@H](C2)C3=O 587448259 BUXHQPWDNYQHKV-UAKAABGRSA-N 390.435 4.005 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)CCC(=O)N3C)CC2=O 587484928 HEQMFDABQRZULN-HSZRJFAPSA-N 379.456 4.134 0 1 GIAF CC(C)(O)c1nn2ccccc2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528333 XHHKAZKYCFTBHD-IBGZPJMESA-N 376.456 4.147 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ncnc1Cl 587550776 BRQGEUOEHSTOKH-MLGOLLRUSA-N 389.194 4.192 0 1 GIAF Cc1cc(C(=O)O)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608614 LVWDDAFGQKGFCA-WIYYLYMNSA-N 376.364 4.102 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(F)c(O)cc32)N1 587731895 LZCLWHBAZVAJMC-DYBLOJMWSA-N 380.232 4.157 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nn(C)cc3c2)N1 587761157 SRCGEWYHNKQEJY-WLRWDXFRSA-N 388.284 4.273 0 1 GIAF Cc1ccn2c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c(C)nc2c1 587776035 VSYXQWZDMCRHCG-VOJFVSQTSA-N 388.284 4.476 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1oc(C)nc1C 587865069 UIMAFDXJDGXEJO-UHFFFAOYSA-N 379.338 4.261 0 1 GIAF CC[C@@H](Cc1cccc(C(=O)NCc2ccccc2C(F)(F)F)c1)C(=O)O 653801650 WWAQGIRDUYUBMU-AWEZNQCLSA-N 379.378 4.289 0 1 GIAF Brc1ccc2c(c1)[C@](c1ccncc1)(C1CCOCC1)NC1(CC1)C2 961617719 VSBZOLWSGHOFFP-NRFANRHFSA-N 399.332 4.193 0 1 GIAF CC(C)C[C@H](N)[C@]1(C(F)(F)F)c2ccsc2CCN1Cc1cccnc1 962991900 FTYHMNIBELHCIG-ROUUACIJSA-N 383.483 4.332 0 1 GIAF COc1cccc(-c2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)c1 1857614654 ABFSHTNUQNENIM-UHFFFAOYSA-N 391.452 4.106 0 1 GIAF CS(=O)(=O)c1ccc2c(c1)c1c(n2Cc2ccc(Cl)cc2)CCCC1=O 1857750214 QKLPHZIAWWXUES-UHFFFAOYSA-N 387.888 4.266 0 1 GIAF COc1ccc(-c2nn(-c3cc(OC)c(OC)c(OC)c3)c3ncccc23)cc1 1911586070 ONUARLJSLPGZKR-UHFFFAOYSA-N 391.427 4.122 0 1 GIAF CC(C)C1=CC[C@]2(C)[C@H](O)[C@H](O)C[C@@](C)(OC(=O)C=Cc3ccccc3)[C@@H]2C1 2356470583 GIVYBSDWYHUABS-PESUVLPXSA-N 384.516 4.126 0 1 GIAF O=C(O)Cc1cccc2c1O[C@H](c1ccccc1)[C@H](C(=O)c1ccccc1)C2=O 1646830 YELWIFSXUUARFF-HYBUGGRVSA-N 386.403 4.129 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)NC[C@H](O)CC 4213361 OBLYCLPDAJCETL-CCKFTAQKSA-N 398.906 4.380 0 1 GIAF O=C(Nc1ccc(-c2cccc(F)c2)cc1)[C@@H]1CCCN(C2CCOCC2)C1 11879018 VTIXPJDCMLDVHT-LJQANCHMSA-N 382.479 4.322 0 1 GIAF COc1cc2[nH]c(-c3ccc4c(c3)[C@@H](O)CCC4)cc(=O)c2cc1-c1cnco1 12354276 NYDUUDHYORKLIC-FQEVSTJZSA-N 388.423 4.228 0 1 GIAF COc1ccc(C2=C(c3cccc(OC(C)=O)c3)CN3CCC[C@]3(C)C2)cc1O 14824726 NXAUETMHJIPRPU-XMMPIXPASA-N 393.483 4.495 0 1 GIAF biogenic CCCN1CCN([C@@H](c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1 22939507 IQBKPSJJCJIRLC-DEOSSOPVSA-N 393.575 4.286 0 1 GIAF O=S1(=O)c2cc(Br)ccc2Oc2ccc(Br)cc21 26257727 TUAXDGHCFKHFMA-UHFFFAOYSA-N 390.052 4.150 0 1 GIAF CCCc1nn(C)cc1-c1csc(-c2cc(C(=N)N)sc2SC)n1 26827732 MRGUEOBABJOEPR-UHFFFAOYSA-N 377.564 4.231 0 1 GIAF CCN(CC)[C@H](C)c1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 28137127 PFFIGJRGVPXHLW-QRQCRPRQSA-N 383.488 4.293 0 1 GIAF Cc1cc(C(F)(F)F)nc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)n1 28647321 WFEAKLOOJIOHQY-ZDUSSCGKSA-N 391.777 4.375 0 1 GIAF Brc1ccc([C@@]2(Cn3ccnc3)OC[C@H](c3ccccc3)O2)cc1 28768276 ITAPOIQZNBPLNJ-MOPGFXCFSA-N 385.261 4.287 0 1 GIAF C[C@]12CC[C@@H]3c4ccccc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O 29132768 JGFQKQAOWLVSRB-ZBGWUGFFSA-N 389.539 4.471 0 1 GIAF COC(=O)C[C@H](c1ccncc1)[C@@H](C(=O)N(C(C)C)C(C)C)c1ccccc1 34987626 YAAQJXJMSVDQFT-IRLDBZIGSA-N 382.504 4.158 0 1 GIAF Cc1cc(C)c2sc(C(=O)N(C)C)c(-c3ccc(-c4nnn[nH]4)cc3)c2c1 66251165 NYFIBTRUTSLHFL-UHFFFAOYSA-N 377.473 4.067 0 1 GIAF FCCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1 84690806 YKXFXEOJQBAIMD-UHFFFAOYSA-N 382.479 4.489 0 1 GIAF Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(NN)=NC=N[C@H]32)cc1 98084646 RQEUIRNAGOHDJJ-DHLKQENFSA-N 393.494 4.230 0 1 GIAF N=c1c(Cc2ccccc2Cl)c[nH]c(=O)n1-c1ccc(Cl)cc1Cl 101413920 YZPVRPKIRWVTQZ-UHFFFAOYSA-N 380.662 4.196 0 1 GIAF CN1[C@H]2CCC[C@@H]1C[C@@H](NC(=O)c1cccc3oc(-c4ccc(F)cc4)nc13)C2 103267883 ILEZUEGFQWZUOZ-NNZMDNLPSA-N 393.462 4.379 0 1 GIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cccc(Br)c1 104115564 KURBIYURTRNHRE-VZHUHSAUSA-N 391.269 4.322 0 1 GIAF O=C(Nc1ccc(C(=O)N2CCc3ccccc32)cc1)N1Cc2ccccc2C1 167297696 WZZATSIKBNECHY-UHFFFAOYSA-N 383.451 4.437 0 1 GIAF COc1ccccc1-c1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 219763499 JPURUKRXIQDNFD-QFIPXVFZSA-N 389.495 4.160 0 1 GIAF O=C(NC1CCCC1)c1ccc(-c2nccc(-c3c[nH]c4cnccc34)n2)cc1 299867175 XPBRJXPIAAHIDG-UHFFFAOYSA-N 383.455 4.359 0 1 GIAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 299884691 UHNNDVPWVOQUTI-NJDAHSKKSA-N 384.476 4.143 0 1 GIAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 586925554 GYCMAEBQWGPKAT-UHFFFAOYSA-N 397.283 4.089 0 1 GIAF O=[S@@](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)CC1CC1 586959697 PITJZOYFNPDFFG-OAQYLSRUSA-N 381.217 4.003 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(Br)cc(F)c2[nH]1 587044310 ZONGSAPKVHKKTC-LLVKDONJSA-N 386.290 4.085 0 1 GIAF Nc1ccc(-c2ccc3nc(C[C@H](N)c4ccccc4Cl)[nH]c3c2)cc1N 587058436 VSGOBZUZQLAHGG-KRWDZBQOSA-N 377.879 4.290 0 1 GIAF O=C1C[C@@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)CN1Cc1ccc(F)cc1F 587147909 CWJXQKMEUZIASC-LLVKDONJSA-N 395.331 4.376 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1N(C)C)O2 587377563 NMPPDXTYGHGYNN-KRWDZBQOSA-N 375.266 4.112 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1oc(-c4ccc(F)cc4)nc1C)[C@@H](C2)C3=O 587429538 WCJHRTAKCLYWTP-AOMKIAJQSA-N 379.387 4.461 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1cccs1)([C@@H](O)c1cccs1)[C@@H](C2)C3=O 587448714 BOPJYIZGUDOZKO-MRFFXTKBSA-N 384.478 4.195 0 1 GIAF C[C@]1([C@@H]2CN(Cc3ccccc3)CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587515592 VMWHUBCNGJGMGZ-UKILVPOCSA-N 391.511 4.190 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c(F)ccc(F)c12 587568310 HMXIHAUEFJJEST-DENIHFKCSA-N 380.346 4.474 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(F)cc(F)cc12 587569422 KXLXYDUYPNIVKV-UGKGYDQZSA-N 380.346 4.474 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccccc2)[nH]1 587587871 IJZGWVBMHNQPQJ-UGKGYDQZSA-N 384.391 4.485 0 1 GIAF CCCCc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587587890 QIUQLSRRZQNYOU-DENIHFKCSA-N 376.412 4.228 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1CCO[C@H]1C21CCCC1 587606136 BMTCJXVUKVLRIP-PBCWYRCBSA-N 378.424 4.072 0 1 GIAF CC(C)C(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587703209 GDJNRNLTLNCTAA-RFAUZJTJSA-N 396.222 4.495 0 1 GIAF CC(=O)Nc1ccccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587740693 FBJXEMNFPVBZIB-WYRIXSBYSA-N 391.284 4.344 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(-c3ccccc3)cn2)N1 587753000 GUTOIPQSDLXQDY-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)[nH]c3ccccc23)N1 587804098 RBTDKYOFLMNDOY-HUTHGQBESA-N 375.241 4.399 0 1 GIAF COc1ccc(OC)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587809238 RYLVPESLPZGJCQ-MGNBDDOMSA-N 380.257 4.229 0 1 GIAF C[C@]1(CSc2ccccc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962675822 WZIZSKQFTDMPDV-GOTSBHOMSA-N 392.524 4.341 0 1 GIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCC[C@@H](C(F)F)CC2)N1 962965777 LRZXQECUTQTKDR-DBTLXHFBSA-N 379.781 4.258 0 1 GIAF Cc1sc2c(c1C)CCN[C@@H]2[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C 963015991 XDHDKQSGCZKKRG-WQVCFCJDSA-N 380.554 4.312 0 1 GIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c(C)n(C)n(-c2ccccc2)c1=O 963243576 SRMMNBWLUSWGOG-GAJHUEQPSA-N 375.516 4.230 0 1 GIAF CC(C)(O)Cn1c(NC(=O)c2ccnc(-c3ccccc3)c2)nc2ccccc21 1857534450 UDMIRQWCOXFLHS-UHFFFAOYSA-N 386.455 4.122 0 1 GIAF Cc1cccc(NC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)n1 1857753555 KNAHDUUYZKYKDO-UHFFFAOYSA-N 391.381 4.121 0 1 GIAF C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(F)cc3Cl)cc2O1 28121602 YLJMKXLFAWWGMK-HXUWFJFHSA-N 394.826 4.495 0 1 GIAF CC(C)N(CC[C@]1(c2ccccc2Cl)C(=O)NCN2CCCC[C@@H]21)C(C)C 28265016 DMEITOFFTBHYHV-IFMALSPDSA-N 391.987 4.029 0 1 GIAF CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCNC(=O)Nc3ccc(C)cc3)ccc21 28565806 CYAXXSZDGPTFBI-TZIWHRDSSA-N 396.487 4.336 0 1 GIAF CC(C)(O)c1ccn2c(-c3ccc(F)c(-c4ncc(F)cc4F)c3)cnc2n1 28571826 UVTIJQDSGQQUDX-UHFFFAOYSA-N 384.361 4.103 0 1 GIAF CCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)C)ccn23)n1 28963440 UIXNXUGFCVCULW-UHFFFAOYSA-N 390.466 4.091 0 1 GIAF COc1c(-c2cc(C)nc(C)c2)ccc2c(=O)c3c(O)nsc3n(C3CC3)c12 35090213 YMFZNLVSPOAGKV-UHFFFAOYSA-N 393.468 4.339 0 1 GIAF O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@@H]3CCCC[C@@H]3C3CCCCC3)c2s1 58592844 XEDUTQMPNJLZKT-KYJSFNMBSA-N 390.549 4.057 0 1 GIAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1c[nH]c2ccc(Cl)cc12 117585559 UHQCJBAHBQOERZ-UHFFFAOYSA-N 398.894 4.332 0 1 GIAF O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(NCc3ccccc3)ncc12 140320051 WQSRPFRZXXCUOM-UHFFFAOYSA-N 385.427 4.063 0 1 GIAF COC(=O)[C@@]1(Cc2ccccc2C(F)(F)F)CC(=O)O[C@@H]1c1ccccc1 142736584 XGYWCRQSLCHFAX-MJGOQNOKSA-N 378.346 4.096 0 1 GIAF COC(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1 224565757 MPDZSIRBRQRASE-UHFFFAOYSA-N 394.406 4.106 0 1 GIAF CCOc1ncc(CN2CCC(N(C)Cc3cccc(Cl)c3)CC2)s1 299868269 ZMUAGGFDEWGSSW-UHFFFAOYSA-N 379.957 4.292 0 1 GIAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccc(F)cc3C2=O)c(Cl)c1 473154246 FQFLDBKSBBCIMR-UHFFFAOYSA-N 398.777 4.433 0 1 GIAF Oc1cccc([C@@H](O)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 586892527 RNWNYBQAAGGJFG-CYBMUJFWSA-N 376.256 4.388 0 1 GIAF CC1(C)OC(=O)C[C@H]1c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586910477 PBZOUIIFPSVOIQ-ZETCQYMHSA-N 393.159 4.033 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 586936019 LGNFAEACZGYKCC-VIFPVBQESA-N 399.303 4.009 0 1 GIAF FC(F)(F)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587084608 FALJAAOUCBRVBG-UHFFFAOYSA-N 381.789 4.409 0 1 GIAF 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COc1ccc(-c2nc(SC[S@](C)=O)[nH]c2-c2ccc(OC)cc2)cc1 28217883 XFQPBHGOXAISLH-AREMUKBSSA-N 388.514 4.189 0 1 GIAF C[C@@H]1C=C2OCOC2=C(CCn2nccc2C(=O)Nc2ccc(Cl)cc2)C1 28822037 SWFNWUPRJMPYDW-ZDUSSCGKSA-N 385.851 4.361 0 1 GIAF Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nccc4[nH]nc(N)c34)cc2)c1 29129811 QGQLLWVFLMETJZ-UHFFFAOYSA-N 376.395 4.299 0 1 GIAF Cc1cc(/C=C2\C(=O)Nc3ncccc32)c2ccccc(OCCCN(C)C)c1-2 64539240 BOGKUOUVWUICFV-HKWRFOASSA-N 387.483 4.318 0 1 GIAF COc1ccc(-c2cc(NC(=O)C(C)C)nc(-c3ccc(OC)cc3)n2)cc1 66099721 BHTUAHMYJHTQGM-UHFFFAOYSA-N 377.444 4.422 0 1 GIAF CCOc1cccc(-c2nc(CN3CCN(c4cccc(OC)c4)CC3)co2)c1 72102437 QUNYXSOTFLQUPI-UHFFFAOYSA-N 393.487 4.071 0 1 GIAF COc1cccc(Nc2cc3c(cn2)nc(-c2ccc(OC)c(OC)c2)n3C)c1 82082897 YZWLJNCWHHNTTP-UHFFFAOYSA-N 390.443 4.405 0 1 GIAF CCC(CC)c1nc2c(NCCc3ccccc3F)ncnc2n1CCOC 82181000 BKJZFKLCJCUSHG-UHFFFAOYSA-N 385.487 4.170 0 1 GIAF COc1cc(O)c([C@@H](CC(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccccc2)c(OC)c1 95597500 XYQSATKYRXNKIT-QKLQHJQFSA-N 397.515 4.436 0 1 GIAF COC(=O)[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@@H]1O2 100796049 IXQQMWIAXLMOHP-LWYYNNOASA-N 388.410 4.180 0 1 GIAF O=C(O)c1ccc2c(c1)nc(NCc1ccccc1)c1nc(NC3CC3)ncc12 140112147 NWCGHSMJBMQBCE-UHFFFAOYSA-N 385.427 4.063 0 1 GIAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2ccccc2OC)cc1 169360898 CXUONQXREPWOEC-FMRJQWEPSA-N 389.495 4.401 0 1 GIAF Cc1ccc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)nn1 203897598 DALKKQZTVMLVDE-UHFFFAOYSA-N 390.393 4.002 0 1 GIAF Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ccc(Cl)nn1 474609736 UETCPJXICRNRPK-UHFFFAOYSA-N 380.782 4.482 0 1 GIAF Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)sc2ncnn12 586993102 ICUJYVPHGMCPPU-UHFFFAOYSA-N 384.420 4.231 0 1 GIAF COc1cc(-c2nc3nc(Cl)c[nH]c-3n2)cc(-c2ccc(C(=O)O)cc2F)c1 587143767 KSVWZZBLKOSOOF-UHFFFAOYSA-N 398.781 4.138 0 1 GIAF COc1cc(-c2nc3cncc(OC)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143987 OPXPHDLWFISHIN-UHFFFAOYSA-N 393.374 4.146 0 1 GIAF O=C(O)c1cc(Br)cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c12 587175670 XONPJXITELKVCO-UHFFFAOYSA-N 388.196 4.235 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OC[C@@H]1CCCO1)O2 587375870 AEUPVSXQEDGACX-VBKZILBWSA-N 387.863 4.495 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CC[C@@H]4CN(Cc5ccccc5)C[C@@H]4C1)[C@@H](C2)C3=O 587441032 CVVXLOWDDONSRC-JIMNKCNDSA-N 389.495 4.114 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(OC(C)=O)c1)CC2=O 587476159 DPDSOYALPDDXQM-QFIPXVFZSA-N 384.428 4.159 0 1 GIAF COC(=O)c1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587557588 NMKVAUHDRCFVKI-WIYYLYMNSA-N 394.354 4.021 0 1 GIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1N(C)C 587571799 MHHFKHUBEROWCJ-OFNKIYASSA-N 375.424 4.470 0 1 GIAF C[C@]1(c2ccccc2-n2cccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580900 JROGEMDPQFFRIG-XUZZJYLKSA-N 398.418 4.455 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnn1C1CCCC1 587582753 QUGAHYCYLJKUFP-KNQAVFIVSA-N 376.412 4.407 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](c3ccnn3C)C2)N1 587762355 XSUQTYBCPPQZTR-UHYGZKCKSA-N 392.316 4.409 0 1 GIAF CC(C)=CCN1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587770197 QZXPXEDQYMVLJA-AWEZNQCLSA-N 381.333 4.380 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587795876 JPJPQAPTXKKCTM-SWDXJLKVSA-N 398.316 4.317 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)[nH]c3ccccc23)N1 587803336 PDZJEWAYHHDMOT-VVVCHXIZSA-N 375.241 4.399 0 1 GIAF COCOc1ccccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587804965 GBVDSUJPBCNHHR-BUXKBTBVSA-N 394.284 4.369 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncccc1Br 587866577 GNUZKJASOFYPRO-UHFFFAOYSA-N 399.170 4.119 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cc1ccc(F)cc1F 587868349 KXKKOKHBKDCVGY-UHFFFAOYSA-N 397.303 4.134 0 1 GIAF Cc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)c3occc3C)c(F)c1)C2=O 653696869 OFLFGTPTGVETJG-UHFFFAOYSA-N 378.359 4.088 0 1 GIAF CCCC[C@@]1(CCC(=O)OCC)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962566941 JMAFCZWIGMWFBF-OPAMFIHVSA-N 377.525 4.309 0 1 GIAF Cc1sc2c(c1C)CCN[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 963014175 UNGBBLCBRHLKRS-OLZOCXBDSA-N 378.460 4.397 0 1 GIAF CC[C@@H](NC(=O)c1cnc(O)c2cccnc12)c1ccc(OC(F)(F)F)cc1 1772573871 PLRGRUBUNQOANK-OAHLLOKOSA-N 391.349 4.115 0 1 GIAF c1ccc(OCCNC[C@H]2OCCOC2(c2ccccc2)c2ccccc2)cc1 1857545743 GUNSNWQEXKKLDR-XMMPIXPASA-N 389.495 4.014 0 1 GIAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CC[C@]3(CCOC3=O)O2)[C@]2(C)CCCC(C)(C)[C@@H]12 2356340432 OVICILMSQORLAX-KGXPBAIFSA-N 378.509 4.025 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)O)CC[C@@]32O)C1 2356471431 WXPLTPNJECKYBN-RCMLBOFFSA-N 378.553 4.073 0 1 GIAF O=C(c1ccc2ccccc2c1)[C@H]1CCCN(C(=O)c2noc3c2CCCC3)C1 11950667 GURFHIRJMGSZRF-IBGZPJMESA-N 388.467 4.442 0 3 GIAF CN(C)C(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl 773033 UMTWVSSLAQIGMX-WBVHZDCISA-N 381.234 4.313 0 1 GIAF O=C(Cn1c(=O)oc2ccc(C(=O)c3cccc(Cl)c3)cc21)c1ccccc1 1645300 GHNZZNPFOCVVLH-UHFFFAOYSA-N 391.810 4.362 0 1 GIAF O=c1[nH]c2ccc(CCN3CCN(c4cccc5ccccc45)CC3)cc2s1 13822232 ZUYFWNWIYZNXLQ-UHFFFAOYSA-N 389.524 4.108 0 1 GIAF C[C@]12C[C@H](CCCO)C3=C4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@]21CCC(=O)O1 26467239 PLTBONJAGLYTDQ-RPZPBAIQSA-N 384.516 4.267 0 1 GIAF CN1CC=C(c2cn(S(=O)(=O)c3ccccc3Cl)c3ccccc23)CC1 28120732 KNVNOBDURNSPNJ-UHFFFAOYSA-N 386.904 4.251 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC=C2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820900 ZQPPREINMPDUKK-IMPNNSMHSA-N 388.548 4.318 0 1 GIAF O=C(O)c1cc(/C=C/c2cc(C(=O)O)c(O)c(-c3ccccc3)c2)ccc1O 40848357 XTSOOHZPPRPYLZ-VOTSOKGWSA-N 376.364 4.332 0 1 GIAF COc1ccc(CCC(=O)OCCCc2ccc(Br)cc2)cc1O 42920307 JDKSRDPCOQCCRP-UHFFFAOYSA-N 393.277 4.272 0 1 GIAF OC1CCC(Nc2nccc3[nH]c(-c4cccc(OC(F)(F)F)c4)nc23)CC1 82082338 PWLCUJVLZANVDE-UHFFFAOYSA-N 392.381 4.239 0 1 GIAF CCCCCNc1ncnc2c1nc(-c1ccc(OC)cc1)n2C[C@H]1CCCO1 82186158 JRQMIEAVRPBQTB-GOSISDBHSA-N 395.507 4.283 0 1 GIAF CC(C)Cc1nc2c(NC[C@H](C)c3ccccc3)ncnc2n1C[C@H]1CCCO1 82188505 NMFQMHPOMGEXSH-PKOBYXMFSA-N 393.535 4.419 0 1 GIAF Cc1nc2c(Br)cccc2n1-c1ccc(C(=O)NC2CC2)s1 84603868 XJGBSRNHEYCYSM-UHFFFAOYSA-N 376.279 4.050 0 1 GIAF Cc1ccc(C(=O)N2CCc3cc4c(cc3[C@@H]2c2cccc(O)c2)OCO4)cc1 95605811 GGKBIUUJJSLGHA-QHCPKHFHSA-N 387.435 4.217 0 1 GIAF Cc1c(S(=O)(=O)Nc2cccc(C(=O)O)c2)sc2c(Cl)cccc12 114593513 ORAJBSYKPBEKQG-UHFFFAOYSA-N 381.862 4.362 0 1 GIAF O=N[C@H]1CCc2cc(-c3cn(C[C@H]4CCCNC4)nc3-c3ccncc3)ccc21 169686139 YLWQVOLMOFXGGH-AOMKIAJQSA-N 387.487 4.365 0 1 GIAF Cc1nc([C@H](NC(=O)c2cccc(-c3ccc(F)c(Cl)c3)n2)C2CC2)no1 207736325 AMDKVUYZLMDDAS-QGZVFWFLSA-N 386.814 4.114 0 1 GIAF O=C(O)c1ccccc1CNc1n[nH]c(Nc2cc(Cl)cc(Cl)c2)n1 220908210 HMSNLCOWBJWORH-UHFFFAOYSA-N 378.219 4.165 0 1 GIAF C[C@H](CCC(=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 253986353 DGABKXLVXPYZII-UPSXFCICSA-N 392.580 4.478 0 1 GIAF CC(C)CCOc1cc2nc(C[S@](=O)CC3CC3)[nH]c2cc1Br 586960694 XRBKXOIDMCSZBP-HSZRJFAPSA-N 399.354 4.409 0 1 GIAF CC(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 587020162 ZLXIECYMBCVDLX-UHFFFAOYSA-N 382.470 4.127 0 1 GIAF O=C(Nc1sc2c(c1-c1nc3cnncc3[nH]1)CCC2)c1ccccc1Cl 587030952 MSHRSUNPUULPFA-UHFFFAOYSA-N 395.875 4.476 0 1 GIAF Fc1c(Br)cc2nc(CCn3ccc(C(F)(F)F)n3)[nH]c2c1F 587118886 RYMMJZYBTHOIMR-UHFFFAOYSA-N 395.129 4.062 0 1 GIAF Clc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cn1 587184365 RIGBHGUYWZAPEP-SNAWJCMRSA-N 381.604 4.386 0 1 GIAF C[C@@]1(c2cccc(CO)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352723 LYFJMYCQPKRTQL-GMAHTHKFSA-N 378.399 4.298 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccsc1C(=O)O)O2 587411755 VLLBSSYPNQUNII-OAQYLSRUSA-N 379.437 4.246 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(Br)c4cccnc14)[C@@H](C2)C3=O 587419102 WVDXJBMWELXBQO-XOBRGWDASA-N 396.240 4.495 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1cc(F)cc(F)c1)CC2=O 587466147 IUSUSPCVSFEFAP-NRFANRHFSA-N 390.382 4.348 0 1 GIAF C[C@@]1([C@@H](N=O)C(=O)Nc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511273 JPKYXXYOJSKPDO-UNMCSNQZSA-N 378.428 4.063 0 1 GIAF CC(C)(C)OC(=O)N1CC2(CC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 587518747 OTIVJRIVAQXNDU-QHCPKHFHSA-N 383.488 4.300 0 1 GIAF COC(=O)[C@H](C)[C@@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587527122 VGADFPQMXKMRFA-IZHWHUGBSA-N 394.467 4.244 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(Br)c1 587550012 YWFQQVGPIFRJNY-APWZRJJASA-N 398.212 4.253 0 1 GIAF Cc1c(-c2ccc3c(O)nc(O)nc3n2)c2cc(O)ccc2n1-c1ccccc1 587556315 AHGRHWNAAHBZHH-UHFFFAOYSA-N 384.395 4.061 0 1 GIAF Cn1cc2c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc2n1 587584025 YKPVUOMWYYMECP-REWPJTCUSA-N 386.407 4.156 0 1 GIAF Cc1nc2ccccn2c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588780 SGYXHWLNHZJYSB-CVDCTZTESA-N 386.407 4.225 0 1 GIAF O=C(O)c1cc(O)cc(-n2c(O)cc(-c3ccc(Cl)c(Cl)c3)c2O)c1 587927758 XWJPFYUUYKQFCW-UHFFFAOYSA-N 380.183 4.266 0 1 GIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(F)cc(Br)c3[nH]2)cc1 587934400 DJXJQNXAZBSLFK-JDNHERCYSA-N 379.229 4.310 0 1 GIAF CCOC(=O)C[C@]1(C2CCCCC2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962637238 WAIDWLPKNKDPJN-MWTRTKDXSA-N 389.536 4.309 0 1 GIAF COc1ccc(CC(=O)c2ccc3c(c2OC(C)=O)C=CC(C)(C)O3)cc1OC 1857560242 PKXSBGCYUGEIMV-UHFFFAOYSA-N 396.439 4.239 0 1 GIAF O=C(Nc1ccc(Cl)c(-c2nnc3c(Cl)cccn23)c1)c1ccccn1 1911577797 HJYWHJTYBIEBRA-UHFFFAOYSA-N 384.226 4.350 0 1 GIAF C[C@@H]1CCC[C@@H]2OC(C)(C)O[C@H]2CCC=Cc2cc(O)cc(O)c2C(=O)O1 2356328675 YQBDPTQRQMXVTH-BVGQSLNGSA-N 376.449 4.141 0 1 GIAF COCCCNC(=O)c1c(-c2ccccc2Cl)noc1-c1ccsc1 2481156 CECHKOKDNNXHET-UHFFFAOYSA-N 376.865 4.490 0 1 GIAF CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F 4081807 JSDPZVNRIPCQIC-RDJZCZTQSA-N 381.234 4.313 0 1 GIAF O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1nccs1 5101123 BHCJSUWNSLTRNB-IYWMVGAKSA-N 386.476 4.386 0 1 GIAF Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(F)cc3)cc2c1 5594379 ICILWRLZUIXEAE-UHFFFAOYSA-N 390.414 4.411 0 1 GIAF Cc1cc(O)c([C@H](c2ccccc2)N2CCCCC2)c(=O)n1Cc1ccco1 20604670 UPVZCAYDQHCRKE-QFIPXVFZSA-N 378.472 4.079 0 1 GIAF aggregator O=C1COc2c(cccc2N2CCN(Cc3cccc(-c4ccccc4)c3)CC2)N1 26400179 FMEYZGBIOSKJJC-UHFFFAOYSA-N 399.494 4.007 0 1 GIAF CCc1c(C(=O)C(N)=O)c2c(OC)cc3ccccc3c2n1Cc1ccccc1 40916665 WDLASCVQCDWEOI-UHFFFAOYSA-N 386.451 4.082 0 1 GIAF c1ccc(CCn2c(-c3cccs3)nc3c(NCC4CC4)ncnc32)nc1 82181037 DWHYISWWCQOKSZ-UHFFFAOYSA-N 376.489 4.014 0 1 GIAF CC(C)NC(=O)[C@@H]1CCCN1c1nc(-c2cccc(C(F)(F)F)c2)cs1 82192345 VSNDKRNIQWFRIV-HNNXBMFYSA-N 383.439 4.322 0 1 GIAF N=C(N)SCc1ccccc1Sc1ccc(F)cc1CSC(=N)N 84672382 PVODIKFSJIQMMH-UHFFFAOYSA-N 380.539 4.230 0 1 GIAF COc1ccc(CCc2cccc3c2Nc2ccccc2S3(=O)=O)cc1OC 95596276 RBOBIWAFCQHMGK-UHFFFAOYSA-N 395.480 4.379 0 1 GIAF c1cnc(O[C@@H]2CCN(c3ccc4ccccc4n3)C2)c(C2CCOCC2)c1 96168978 DAZDQGSMKCXMPT-LJQANCHMSA-N 375.472 4.182 0 1 GIAF NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1 96174059 QHJQLEPCFYQXNG-UHFFFAOYSA-N 380.455 4.391 0 1 GIAF COc1ccc(-c2oc3cc4c(c(OC)c3c(=O)c2O)C=CC(C)(C)O4)cc1 238770319 CGIIFBBHJHXVII-UHFFFAOYSA-N 380.396 4.367 0 1 GIAF COc1cc(Br)cc2cc(-c3cccc(OC(C)=O)c3)c(=O)oc12 299829496 VGCDAWNGJKVXER-UHFFFAOYSA-N 389.201 4.156 0 1 GIAF N=C(N)c1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587150017 JPSDMIFCPHAOLA-LJQANCHMSA-N 378.382 4.294 0 1 GIAF O=S(=O)(c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)N1CCCCC1 587216680 JMQKHDNANURVJG-UHFFFAOYSA-N 378.497 4.175 0 1 GIAF COc1ccccc1Nc1ccccc1-c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587241295 YWHBWNKFYVBGKK-UHFFFAOYSA-N 395.440 4.229 0 1 GIAF C[C@@]1(c2nccnc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327132 FDLANNOPUBYXPT-OXQOHEQNSA-N 384.794 4.249 0 1 GIAF COC(=O)C[C@@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354556 UYKHGPIFYIIOKY-GGAORHGYSA-N 398.430 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)CCC(C)C)cc1)O2 587410699 WJWVIBMYAGCIPK-HXUWFJFHSA-N 387.501 4.104 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(OC)cc(OC)cc1OC)CC2=O 587479047 MBZLVADQKDIDNQ-QFIPXVFZSA-N 386.444 4.251 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(OC[C@H]3CO3)cc1)CC2=O 587482221 DBVWRYCFWHDQEN-GAJHUEQPSA-N 382.456 4.393 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(=S)N(C)C)cc1)CC2=O 587488964 ACTGKVUIHIDLCY-LJQANCHMSA-N 385.485 4.277 0 1 GIAF COC(=O)c1cc(OC)cc(OC)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521938 DJAODNNUDLHFME-HXUWFJFHSA-N 396.439 4.076 0 1 GIAF Cn1nc(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581788 MSNQXQMEVGYJNA-XUZZJYLKSA-N 398.418 4.496 0 1 GIAF COc1ccc(OC)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587591154 FZGIHCCGWOLYAW-KNQAVFIVSA-N 378.380 4.112 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccncn2)N1 587778419 NAYDNWOYPWWVDO-XCLFUZPHSA-N 398.279 4.204 0 1 GIAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]12CCC[C@@H]2C(C)(C)C 963134373 ALIQOHODQLDOHH-LRDNONRASA-N 394.537 4.431 0 1 GIAF COc1ccc(CCCOC(=O)N(c2ccccc2)[C@@H]2CN3CCC2CC3)cc1 1857534724 HWEGXFSUSOJEQJ-HSZRJFAPSA-N 394.515 4.365 0 1 GIAF FC(F)(F)c1ccccc1-n1cc(CN2CCc3c([nH]c4ccccc34)C2)nn1 1857545907 ZGZNQOJTSRXRQP-UHFFFAOYSA-N 397.404 4.326 0 1 GIAF CC(=O)N[C@@H](C)/C=C/c1cnc(Oc2ccc(OCC3CC3)cc2Cl)nc1 1857758108 JJGDHXUPNZBDTE-OOPCZODUSA-N 387.867 4.249 0 1 GIAF CC(C)(Cn1cnc(-c2cc(-c3cnn[nH]3)ccn2)c1)c1ccccc1Cl 1857774229 YHWVGAKNCQQMLU-UHFFFAOYSA-N 378.867 4.361 0 1 GIAF CON[S@@](=O)(=NC(=O)Nc1c2c(cc3c1CCC3)CCC2)c1ccc(C)cc1 1911586381 DSTCENQLADGAPG-NDEPHWFRSA-N 399.516 4.097 0 1 GIAF C[C@H]1CCc2sc(NC(=O)Cc3cccc4ccccc34)c(C(N)=O)c2C1 1518500 XTVSFNVURAREIC-ZDUSSCGKSA-N 378.497 4.306 0 1 GIAF O=c1/c(=C/c2cccc(O)c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 13003552 REHFCQCKUSKXCO-HKWRFOASSA-N 396.471 4.343 0 1 GIAF CCc1cnc(-c2cnc(N3CCC(O)CC3)nc2-c2cccc(C)c2)s1 82173460 BDMFVKBHDKIKLY-UHFFFAOYSA-N 380.517 4.099 0 1 GIAF CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@H]2[C@@]23C=CCC[C@@H]2[C@]1(C(=O)CCC)OC3=O 85923598 IRKACHWWOSXIEC-DKQSQXLHSA-N 396.483 4.181 0 1 GIAF O=C1CC2(CCCCC2)Oc2cc(OC[C@@H](O)CNc3ccccc3)ccc21 95591296 NWKQYGHCBISHBK-SFHVURJKSA-N 381.472 4.207 0 1 GIAF COc1ccc(C(=O)O[C@@H]2C[C@H]3[C@H](C=C2C)C(C)(C)CCC[C@]3(C)O)cc1O 95919431 NHNLUSZGALQDIN-GPZXFYDGSA-N 388.504 4.470 0 1 GIAF biogenic,in-vitro CC(C)(Cc1ccc2c(cnn2-c2ccc(F)cc2)c1)C(=O)Nc1nncs1 96283972 JSXKKUKCBCVMHI-UHFFFAOYSA-N 395.463 4.224 0 1 GIAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3cccc(O)c3)o2)[C@H](C)O)c(C)c1Cl 146536103 BMEHDVOBZOEISJ-APPDUMDISA-N 384.823 4.489 0 1 GIAF O=C(Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1)N1Cc2ccccc2C1 166774091 ZEUGRSPQQGLCJO-UHFFFAOYSA-N 397.478 4.433 0 1 GIAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1C(=O)N1CCCC1 169720794 MWOOFQXRXCRPCL-IRXDYDNUSA-N 377.275 4.124 0 1 GIAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccccc1Cl 169723924 JJQSUDBPPRICHU-RDJZCZTQSA-N 377.868 4.303 0 1 GIAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3CN(Cc4ccncc4)C3)cc12 226073790 BEKDHNCHSVXTLU-UHFFFAOYSA-N 388.446 4.372 0 1 GIAF COCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261165840 RXMJGLCPVVEEJS-KESTWPANSA-N 398.547 4.324 0 1 GIAF COc1cc2c(cc1OCC1CC1)C[C@H]1c3c(cc(OC)c(OC)c3-2)CCN1C 473125600 RITKXTKLSSVWHN-SFHVURJKSA-N 395.499 4.253 0 1 GIAF CNc1nc(SC)nc2c1c(-c1ccccc1)nn2CCc1ccccc1 473136256 OUAIXZWBVHRUSU-UHFFFAOYSA-N 375.501 4.500 0 1 GIAF CC(C)CCOc1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1Br 586960697 XRBKXOIDMCSZBP-QHCPKHFHSA-N 399.354 4.409 0 1 GIAF Oc1nc(-c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)cs1 587017104 ICDVPFJCFYJPSD-UHFFFAOYSA-N 380.145 4.053 0 1 GIAF Cc1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2n1 587092064 REMHACVLQIJRMS-UHFFFAOYSA-N 376.260 4.288 0 1 GIAF Fc1cc(F)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1Br 587137688 GJMABCJIJCAZHG-UHFFFAOYSA-N 379.086 4.031 0 1 GIAF Cc1ccc(/C=C/c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1F 587146216 DGHUXIXIVAIMJD-MDZDMXLPSA-N 375.407 4.240 0 1 GIAF CC(=O)NC1(c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CCC(C)CC1 587234612 RUTHUSZAZYFMCG-UHFFFAOYSA-N 375.472 4.335 0 1 GIAF CC1(C)[C@H]2C[C@@H]1[C@](C)(O)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346802 AJVUKXMVTFSSAH-BPMINSIVSA-N 396.458 4.446 0 1 GIAF COc1ccc(Cn2nc(C)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587388818 BGFRLBHZOKCHSZ-NRFANRHFSA-N 391.471 4.154 0 1 GIAF CCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OCC(=O)O 587524359 NAPYMLJSJJNFMS-FQEVSTJZSA-N 396.439 4.134 0 1 GIAF O=C1CC2(CCN(C(=O)c3cccs3)CC2)Oc2c1ccc1c2CCCC1 587529770 BQMJKGROEHIUIA-UHFFFAOYSA-N 381.497 4.267 0 1 GIAF COc1cc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 587540986 CMRMEKOPYASEKP-WIYYLYMNSA-N 398.798 4.463 0 1 GIAF COCC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572019 QHIRNQFVPUHVIZ-OFNKIYASSA-N 394.398 4.425 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1CCOCc1ccccc1 587596803 PABTZQULNFGYOR-TZIWHRDSSA-N 376.408 4.329 0 1 GIAF COc1ccc(C(=O)c2c(C(F)(F)Cl)[nH]c3c(C(=O)O)cccc23)cc1 587638470 MBWCAQLVGAGOIL-UHFFFAOYSA-N 379.746 4.394 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CN(C)C)c2)N1 587740371 JQLZKAUSKWYEJO-CWTRNNRKSA-N 377.301 4.273 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]2NC(=O)OC(C)(C)C)N1 587742073 JFJMUEDQFWAQPI-LOTHZSBOSA-N 399.304 4.005 0 1 GIAF C/C=C/CC[C@]1(CC(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808171 NNGRNWYKRMNCLA-JZIJIAHKSA-N 384.289 4.237 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2OCCCO3)N1 587834831 MOKQKPQLEZEHHZ-VOJFVSQTSA-N 392.268 4.373 0 1 GIAF CCOc1cccc(C)c1NC(=O)c1nnn(-c2cccc(Cl)c2C)c1C 653856860 QSPKIMUDKCPYHZ-UHFFFAOYSA-N 384.867 4.497 0 1 GIAF Cc1sc2c(c1C)CCN[C@@]21CCNc2c1ccc(F)c2Br 963005117 DAUGDNNMCBULRY-QGZVFWFLSA-N 381.314 4.471 0 1 GIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]2(c1ccncc1)C1C[C@@H]2CC[C@H](C1)N2 963112647 QERGKFYOYUVAQO-WXIBVPFFSA-N 377.507 4.015 0 1 GIAF CC=CC=C(C)C(=O)N[C@H](COC(=O)Cc1c[nH]c2ccccc12)CC(C)C 2356325317 XAFLMOKLZWDATP-IBGZPJMESA-N 382.504 4.307 0 1 GIAF CC1(C)CC[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@]2(C)[C@@H]3C(=CC[C@H]12)CO[C@H]3O 2356403805 VCKBZSACDFEBME-MMUOCADFSA-N 398.499 4.055 0 1 GIAF CCO[C@@H]1OC[C@@]23CCC[C@@]1(C(=O)OC)[C@@H]2CC[C@H]1[C@@H]3Cc2occc2[C@@H]1C 2356760656 CCEGZEAPRHXFQB-LNQAFHKJSA-N 388.504 4.304 0 1 GIAF C[C@@H](C=CC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356814118 BXUVIKFICAYYEQ-GLIBUGFGSA-N 390.564 4.254 0 1 GIAF COc1cc(NC(=O)C(C)(C)n2cc(-c3ccccc3C)cn2)cc(OC)c1 205214467 SQLBYIZURYMYOV-UHFFFAOYSA-N 379.460 4.250 0 3 GIAF C[C@H]1C=C(CCCCCCCCCCCC[C@H]2C(=O)O[C@@H](C)[C@H]2O)C(=O)O1 13358997 OUGUBSKRYFRNBT-RAUXBKROSA-N 380.525 4.462 0 1 GIAF CN(Cc1ccccc1)C(=O)N1CC(=O)Nc2ccccc2[C@H]1c1ccccc1 26166362 ATSBEQRAHBGVJJ-HSZRJFAPSA-N 385.467 4.282 0 1 GIAF CCCCc1c(OC(C)=O)c2cccnc2n(-c2cccc(SC)c2)c1=O 26189875 MQZQSEOVAIIXKT-UHFFFAOYSA-N 382.485 4.376 0 1 GIAF COc1ccc2[nH]c3c(c2c1)[C@H]1CCN(C1)[C@@H]3C(=O)O[C@H](C)c1ccccc1 28948249 QOYBOGLFRNMXIM-RQVMVGKASA-N 376.456 4.325 0 1 GIAF O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)CCC1CCCCC1 45392867 MKBMBVDHAIXTLN-IBGZPJMESA-N 376.928 4.308 0 1 GIAF COc1cc(Nc2nnc(Cc3c[nH]c4ccccc34)s2)cc(OC)c1OC 84654317 WPJAEBKOVWLLAF-UHFFFAOYSA-N 396.472 4.380 0 1 GIAF O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc3[nH]ccc3c2)cc1 95584059 LHBZLDRCOVJAHK-UHFFFAOYSA-N 378.453 4.128 0 1 GIAF COC1CCC2(CC1)Cc1ccc(CC3CCCCC3)cc1[C@@]21N=C(N)N(C)O1 141079228 OFDSKRLJGFJJEK-BOYUCYPVSA-N 397.563 4.285 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc(OCCF)cc1 167098939 IHSYGQNSGRWZNY-YJBOKZPZSA-N 387.451 4.162 0 1 GIAF CC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(CCC(=O)c3ccccc3)[C@@H](C2)[C@@H]1C 169342306 ODUSHRNAMNDLRL-XPEQFSOGSA-N 391.511 4.409 0 1 GIAF CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CC[C@@H](c4ccccc4F)C3)cc21 169704969 RTYYAYSQQDQQIF-HZPDHXFCSA-N 381.451 4.193 0 1 GIAF COc1cc(Br)c([C@H](N)c2nc3ccc(Cl)cc3[nH]2)cc1OC 586974098 BGMBOTXMQPOHAC-HNNXBMFYSA-N 396.672 4.044 0 1 GIAF Clc1ccc(OCc2nc3cc4cn[nH]c4cc3[nH]2)c(Br)c1 586975762 JDACFCXKMUVPKU-UHFFFAOYSA-N 377.629 4.434 0 1 GIAF COc1cc(OC)c2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587029574 QDVHFFYZPWMXGO-UHFFFAOYSA-N 391.456 4.102 0 1 GIAF CN1[C@H]2CCC[C@@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332493 AKTCPWCQYHHEAG-XQYWTEMXSA-N 381.447 4.276 0 1 GIAF COc1cnccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339640 QUTFVJWDANDQIC-UNMCSNQZSA-N 379.387 4.209 0 1 GIAF C[C@@H]1CC2(CC[C@]13Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1)OCCO2 587356954 LOHPXCXNYPCXML-ZTWLPKFNSA-N 398.430 4.192 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1O[C@@H]1c1ccccc1)[C@@H](C2)C3=O 587452134 DHIGNZBVYMVYHN-KTEAYJLESA-N 384.431 4.478 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(C)nc4sc5ccccc5n14)[C@@H](C2)C3=O 587454286 VXLJLICPKGNUEK-RNODOKPDSA-N 376.437 4.355 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(F)c1)([C@H](C)CC(=O)O)CC2=O 587466772 MQKIWPJMHSPAPR-MCMMXHMISA-N 386.419 4.455 0 1 GIAF CCOC(=O)[C@H](Cc1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521703 FDBAELDTSMZCSZ-IRLDBZIGSA-N 378.468 4.321 0 1 GIAF COc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526502 SWCDMKLJDCLIBQ-QHCPKHFHSA-N 380.440 4.300 0 1 GIAF CC(C)S(=O)(=O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587533400 STCNBJJXCMQNBQ-NRFANRHFSA-N 384.497 4.454 0 1 GIAF O=C(O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1 587542022 HGKJWPQGIQKCLF-YLJYHZDGSA-N 396.782 4.447 0 1 GIAF C[C@@]1(COCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591789 HOWQSXPNRQLMBW-REWPJTCUSA-N 376.408 4.329 0 1 GIAF C[C@@]1(c2ccsc2C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614821 UYSFWIWRGCEQJE-YWZLYKJASA-N 382.393 4.029 0 1 GIAF CC(C)(C)OC(=O)NCc1[nH]c2cccc(F)c2c1CCCC1OCCO1 587636008 WUDJEUHTNYLRHK-UHFFFAOYSA-N 378.444 4.027 0 1 GIAF Cc1[nH]c2c(C(=O)O)cccc2c1Cc1ccc(I)cc1 587638555 RWQBRHQPYCOVNS-UHFFFAOYSA-N 391.208 4.370 0 1 GIAF COc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1O 587713351 BYCSWXJCQPDJJH-YYSFKGJASA-N 398.247 4.239 0 1 GIAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F 587717475 GBYJOAXFOOAYDZ-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C[C@H]2CCCO2)N1 587752379 CNQPABZNOVXMBU-BBEGDGIKSA-N 393.300 4.192 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-n2ccnc2)N1 587753031 HCCVJERZIJOJKK-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF C[C@H]1CN(C(C)(C)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)O1 587771757 XNDROEKPQBQDEU-SDFXEEBMSA-N 399.348 4.051 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(-c3ccco3)nc2)N1 587774289 LXTMSXJLCBBVGB-BTDLBPIBSA-N 388.240 4.262 0 1 GIAF COc1ccc(-c2ccc(-c3nc4cncc(OC)c4[nH]3)c(O)c2)cc1OC 587926512 IBDJLUVTSBULRV-UHFFFAOYSA-N 377.400 4.023 0 1 GIAF Cc1nn(C)c2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cc12 653711413 GYUMQLBKRNQWOV-UHFFFAOYSA-N 379.847 4.265 0 1 GIAF COc1ccc2c(c1OC)[C@@](Cc1ccccc1)(c1ccccn1)N(C)[C@@H](C)C2 962565659 IFBJBZSRQPETQQ-AVRWGWEMSA-N 388.511 4.462 0 1 GIAF C[C@@]1(c2ccccc2NS(C)(=O)=O)NCCc2cccc(-c3ccccc3)c21 962666998 UNFASSAGOUYQJH-QHCPKHFHSA-N 392.524 4.134 0 1 GIAF COc1ccc(C(C)C)cc1-c1cncc([C@H](CC(=O)O)c2nnc(C)o2)c1 1772616826 CHLZIWFWVUXREO-SFHVURJKSA-N 381.432 4.179 0 1 GIAF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=C/C(=O)NCc1ccccc1 1857545151 INVFPQXYYKHWNP-ZHACJKMWSA-N 382.847 4.328 0 1 GIAF CC1(C)Oc2ccc3ccc(=O)oc3c2C[C@@H]1OC(=O)/C=C/c1ccccc1 1857637903 OAKTWJUJZDFRFH-BEBFYNPSSA-N 376.408 4.132 0 1 GIAF CNC(=O)c1cc(-c2nccc3c(Nc4cccc(Cl)c4)c(N)oc23)ccn1 1857770980 LVMDULDUKIHLRO-UHFFFAOYSA-N 393.834 4.229 0 1 GIAF CCOc1ccccc1N1CCN(CCCSc2nc3ccccc3[nH]2)CC1 1911581897 NJIRDGGXIURVMS-UHFFFAOYSA-N 396.560 4.266 0 1 GIAF CCCCCC(=O)CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC=CCCCC(=O)OC(C)C 2356477790 HMEIMGKBZAEAEM-CLAROIROSA-N 396.568 4.342 0 1 GIAF CC(=CCc1c(O)cc(C)c(C=O)c1O)[C@H](O)C[C@]1(C)[C@@H](C)CCC(=O)[C@@H]1C 2356710379 BQAWIDAQBDWCGH-ACNPPRPFSA-N 388.504 4.100 0 1 GIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@@H]2CC(=O)[C@H](C)[C@@H]2C[C@@H]1C(C)(C)OC(C)=O 2356777436 VUGXECYJWAHENH-OUPQTIHCSA-N 378.509 4.094 0 1 GIAF CCOC(=O)C1CCN(c2nc(-c3ccc(C)cc3)nc3ccccc23)CC1 4660470 FMFXHGSJVABBPS-UHFFFAOYSA-N 375.472 4.385 0 3 GIAF COC(=O)c1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@@H]32)cc1 5065056 VLCQZNCIDLUVOZ-OGIZJXODSA-N 377.440 4.468 0 1 GIAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@H]1CO2)C(C)(C)C=CO4 25979124 GSZRULWGAWHHRI-OALUTQOASA-N 394.423 4.007 0 1 GIAF biogenic Cc1noc(NCc2ccncc2)c1C(=O)Nc1cccc(OC(F)(F)F)c1 28890078 HIVRIAMFVGJSGK-UHFFFAOYSA-N 392.337 4.141 0 1 GIAF CCOC(=O)N1CCC(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1 28896528 VFDMQZQCLWTEJN-UHFFFAOYSA-N 399.882 4.311 0 1 GIAF C[C@H]1COc2c(-c3ccc4cnccc4c3)c(F)cc3c(=O)c(C(=O)O)cn1c23 29415209 UYSUXMQUNKKCNT-NSHDSACASA-N 390.370 4.007 0 1 GIAF CC[C@@H](C)NC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccccc1F 82152393 XGYINBIAAPHYTB-CYBMUJFWSA-N 382.439 4.325 0 1 GIAF CN(C)Cc1cccc([C@@H]2Nc3cccc4c(=O)[nH]nc(c34)[C@H]2c2ccccc2)c1 117889037 SNFZYJVSHCYGBE-GMAHTHKFSA-N 396.494 4.283 0 1 GIAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@@H]3CC[C@]12C 169714077 DEAVUWHJOWDMKM-SSBIQYRDSA-N 384.564 4.030 0 1 GIAF COc1ccc2c(C)c(CCc3nc4ccc(F)c(F)c4[nH]3)c(=O)oc2c1C 586917382 ANBQHLNXAGHYFR-UHFFFAOYSA-N 384.382 4.358 0 1 GIAF O=C(O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586977770 RQXJCHJBRIIVMY-UHFFFAOYSA-N 381.613 4.256 0 1 GIAF Fc1ccc(Br)c(-c2nnc(CCc3nc4ccccc4[nH]3)o2)c1 587156933 CMWBPTLYZGBXNT-UHFFFAOYSA-N 387.212 4.300 0 1 GIAF CCCOc1cc2[nH]c(-c3cc(F)cnc3OC)nc2cc1Br 587176355 PTHYCBDPYCKYIE-UHFFFAOYSA-N 380.217 4.324 0 1 GIAF Fc1cncc(-c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c1 587176884 IJTIXNPLUULNGZ-UHFFFAOYSA-N 376.107 4.425 0 1 GIAF CC[C@]1(c2cnn(C)c2C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342433 NKUHTVVRXUWXIJ-RBBKRZOGSA-N 380.419 4.238 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(=O)Nc1ccccc1C(F)(F)F)O2 587383584 YXOBSWCOFKLRDO-IBGZPJMESA-N 392.377 4.349 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 587485547 ICNKYDSKWPJVKH-PFDOBSCMSA-N 387.476 4.221 0 1 GIAF CSc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587614130 QYHVIWHREICQGN-DYESRHJHSA-N 394.452 4.090 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2cccnc2)N1 587753432 IRVVBWKTKMAJNZ-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCNC(=O)C2CCCC2)N1 587757488 VIPZVKUOBBEUTQ-KZULUSFZSA-N 397.332 4.250 0 1 GIAF CCCC[C@]1(CC(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800850 ZYSXMDBDQWLLFJ-KPZWWZAWSA-N 386.305 4.461 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3nc[nH]c32)N1 587804577 ROKLIIJPISMLLA-YPMLDQLKSA-N 378.289 4.062 0 1 GIAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C=O)c1O 587823846 WSRRIBFOBXRMAN-DYZYQPBXSA-N 378.241 4.038 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2COC3(CCCCC3)O2)N1 587838442 BKDWNGOJJHSDIC-ZLENFMNRSA-N 384.289 4.239 0 1 GIAF COc1ccc([C@H](c2ccccc2)c2nc3nc(Br)c[nH]c-3n2)cc1 587933601 SECZPVPKVSZYAV-INIZCTEOSA-N 395.260 4.256 0 1 GIAF CC[C@]1(c2ccc(C(=O)O)cc2)NC2(CC2)Cc2ccc(Br)cc21 961328034 WCXRJVPZPAZGAI-HXUWFJFHSA-N 386.289 4.479 0 1 GIAF COC(=O)c1ccc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c(C)c1 961329805 ZQMMBDSKOFRLEU-SFHVURJKSA-N 386.289 4.312 0 1 GIAF COc1cc2c(cc1NC(C)=O)CC[C@@H]1C(C)(C)c3nc(C)ncc3C[C@]21C 1857553901 DRZKGHXAAUIDKO-NFBKMPQASA-N 379.504 4.106 0 1 GIAF FC(F)(F)[C@H](Cc1ccccc1)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857618521 RZKZFFWUWPPNTB-SFHVURJKSA-N 395.388 4.094 0 1 GIAF O=C1/C(=C/c2ccc3c(c2)OCO3)CCN1Cc1cccc(C(F)(F)F)c1 1857642118 FNVBARCOMAACAB-OVCLIPMQSA-N 375.346 4.250 0 1 GIAF CC(=O)NC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3F)o2)C[C@@H]1C(C)C 2356304654 XLVYBOSLTDNJAG-JENIJYKNSA-N 385.483 4.409 0 1 GIAF CC(C)(C)OC(=O)N1CCC[C@@H]1C1CCN(C(=O)OCc2ccccc2)CC1 209757931 KVELUTALXDHROR-LJQANCHMSA-N 388.508 4.435 0 3 GIAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@H]([C@H](C)C(=O)NC1CCCC1)C2 25206617 MPLGIVPDFJPLHF-HKUYNNGSSA-N 386.580 4.044 0 1 GIAF biogenic COc1ccc(Cl)cc1-c1c(CO)c(=O)[nH]c2ccc(C(F)(F)F)cc12 26668175 QHYGEIJARKCCDK-UHFFFAOYSA-N 383.753 4.368 0 1 GIAF Cc1cc(Cl)ccc1OC[C@H](O)CNC(C)(C)Cc1c[nH]c2ccccc12 26731475 JUAWTGSLNZCEDH-GOSISDBHSA-N 386.923 4.480 0 1 GIAF C[C@@H]1NCCC[C@H]1C(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1 40846451 LOUYPYUMEQLFIO-NWDGAFQWSA-N 394.566 4.048 0 1 GIAF COC(=O)c1ccc(C[C@H](C)NC[C@H](O)c2ccc(Cl)c(Cl)c2)cc1 45193519 PCVBSISVQDHZPQ-SGTLLEGYSA-N 382.287 4.034 0 1 GIAF FCCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 58568870 SPOINIWQULRMHV-UHFFFAOYSA-N 382.479 4.489 0 1 GIAF COc1ccc2cc([C@H]3CC(=O)N3c3cc(OC)c(OC)c(OC)c3)ccc2c1 66258376 WSENLUVSKPYZHG-LJQANCHMSA-N 393.439 4.352 0 1 GIAF COc1ccc([C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 71333185 DWVNNLHMFXTEQL-JOCHJYFZSA-N 379.843 4.131 0 1 GIAF CC(C)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CCN1CCCCC1 82185930 AOFAUVOYBFJVET-UHFFFAOYSA-N 396.514 4.187 0 1 GIAF COc1ccc(-c2cc(=O)c3c(O)cc(O)c(-c4ccccc4O)c3o2)cc1 95910572 GGLAWSVYWPOFNO-UHFFFAOYSA-N 376.364 4.252 0 1 GIAF biogenic,in-vitro O[C@@H](CCOc1cccc2[nH]c3ccccc3c12)CN1CCOc2ccccc21 96939730 CGYGANPUCOWZMT-KRWDZBQOSA-N 388.467 4.350 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccc(-n2ccnc2)cc1 100035722 CRNIOQZXORLTLC-QOJBNDRUSA-N 395.459 4.074 0 1 GIAF NC(=O)c1ccc2nc(-c3ccc([C@H](O)c4ccccc4Cl)cc3)[nH]c2c1 137538352 DNWRTTNDUPPYQA-IBGZPJMESA-N 377.831 4.064 0 1 GIAF Cc1ccc(C(=O)N2CC(F)(c3ccc(C#N)cc3)C2)cc1-c1[nH]nc(C)c1C 142917243 JOCMLHFDLVRANH-UHFFFAOYSA-N 388.446 4.194 0 1 GIAF O=C(Nc1ccc(F)cc1)c1ccc(SCc2ccccc2C(=O)O)nc1 145208760 AXXQRZSDTMJHHP-UHFFFAOYSA-N 382.416 4.464 0 1 GIAF C/C=C\[C@@H]1C[C@@H]1[C@@H]1OC2=C(Br)C[C@@H](C=C=CBr)O[C@H]21 145384076 GABIRMUVGHAVPG-VSNPYUEMSA-N 388.099 4.425 0 1 GIAF Cc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc2c3c(oc12)CCNC3 147929398 NNXSQSVMNHMDQS-UHFFFAOYSA-N 395.402 4.239 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 586937142 PNAVZXGVLHDRIJ-LLVKDONJSA-N 397.422 4.326 0 1 GIAF Cc1c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073696 LHEXJHVJCJLKNT-UHFFFAOYSA-N 395.747 4.388 0 1 GIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587109415 OVEVWAOVURGZDY-UHFFFAOYSA-N 378.306 4.108 0 1 GIAF CC(C)(C)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 587193529 LBKTWNVSHVLCPZ-UHFFFAOYSA-N 379.504 4.380 0 1 GIAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4ccc(N(C)C)cn4)nc3c2)cc1 587195122 RGGXPAWTLLZXCR-UHFFFAOYSA-N 388.427 4.270 0 1 GIAF O=C1c2ccccc2-c2cc(CS(=O)(=O)c3ccccc3)nc3cccc1c23 587209897 WIIWDOSCSXHYEO-UHFFFAOYSA-N 385.444 4.420 0 1 GIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(N)c1 587341651 ZMTJWIMPGVLLKA-GGAORHGYSA-N 393.414 4.396 0 1 GIAF O=C1c2ccc(O)cc2OC2(CCC(n3cnnc3)CC2)[C@H]1c1ccc(F)cc1 587345450 ZQVUFIGZPTVMBZ-BRFBUHTJSA-N 393.418 4.036 0 1 GIAF Cc1n[nH]c(C)c1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346129 LFJKYAZELCQCTO-RBBKRZOGSA-N 380.419 4.232 0 1 GIAF CCOC(=O)[C@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351806 VIFXBEVJIUQWPL-DENIHFKCSA-N 386.419 4.238 0 1 GIAF CCS(=O)(=O)Nc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531720 IXNCXSUIRUECTF-QFIPXVFZSA-N 399.512 4.208 0 1 GIAF Cn1c(Cl)nc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554310 XATRTYAGMQAENA-BLLLJJGKSA-N 391.210 4.135 0 1 GIAF CN(C)/C=C/[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570112 IBADXWVBGZEPDJ-XAPLGGPMSA-N 387.435 4.325 0 1 GIAF CCn1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587578478 AFNCGASBFVNECS-UGKGYDQZSA-N 378.428 4.102 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3[nH]cnc(Cl)c2-3)N1 587708729 ZVKOESJNGADNAC-NXSYQRQQSA-N 395.663 4.088 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(N)cc(F)cc2F)N1 587717741 GMJZNYDXQVOQKO-RBHXEPJQSA-N 385.227 4.246 0 1 GIAF CC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587746250 ZJHUYJHUAFQCRZ-NSPYISDASA-N 391.284 4.344 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2-c2cccnc2)N1 587754772 MOHMWCKSARUZBW-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccc(O)cc23)N1 587804497 RDTPJHGRTFVDMK-DYBLOJMWSA-N 375.241 4.399 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccc(O)cc3C2)N1 587836099 ZNBIQFSVCXMPLR-JEOXALJRSA-N 376.269 4.212 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)COc1ccccc1 587862492 POTGMPAZQKRPIJ-UHFFFAOYSA-N 376.334 4.297 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCC1CCC1 587867210 USRYFCUAQAQUQP-UHFFFAOYSA-N 383.439 4.490 0 1 GIAF O=C(N1CCC(c2ccccc2)CC1)N(c1ncccc1Cl)[C@@H]1CCCNC1 1857547763 FHCHQKOUBAJEKD-LJQANCHMSA-N 398.938 4.293 0 1 GIAF COc1ccc2nc(C(=C3C(=O)Nc4ccc(N)cc43)c3ccccc3)[nH]c2c1 1857624525 QWWZHEAIYHIEKN-UHFFFAOYSA-N 382.423 4.065 0 1 GIAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)C4CCC4)nc3[C@H](C)[C@@H]21 2356321178 UPLMDWYCLKZCGE-FMFZFFKGSA-N 388.533 4.135 0 1 GIAF CC[C@H](O)[C@H](O)C[C@](C)(O)CCCC(C)=CC[C@H](O)[C@H]1[C@H](C)C=CCC1(C)C 2356534508 LAWYTMOLUTUILN-DTRVVKHVSA-N 396.612 4.365 0 1 GIAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773460 IFIXQTMOIFWLKH-KDOFPFPSSA-N 382.435 4.285 0 1 GIAF O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCSC[C@@H]3[C@@H]2C(=O)N1c1ccccc1 5883140 LXYBVCDNTFPEED-VTCANLHHSA-N 388.492 4.291 0 1 GIAF Nc1cnc2cccc(Oc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)c2n1 14974120 HAZOQFLLNDJKJA-UHFFFAOYSA-N 383.333 4.480 0 1 GIAF COc1ccccc1SC[C@@H](F)CN[C@@H]1COc2ccccc2SC1 45495760 JONWGAYMJDIXGT-LSDHHAIUSA-N 379.522 4.268 0 1 GIAF COc1cc(CCC(=O)C[C@@H](CC[C@H]2C=CC=C[C@@H]2C)OC(C)=O)ccc1O 85624730 WVDQLESPUBZZMA-LDQXTDLNSA-N 386.488 4.383 0 1 GIAF biogenic,in-vitro CC(C)C(=O)N1CCc2cc(-c3csc(NC(=O)c4ccco4)n3)ccc21 95755349 PXUUCXSHNMSCRV-UHFFFAOYSA-N 381.457 4.201 0 1 GIAF COc1cccc2c1c(=O)c(C(=O)O)cn2Cc1ccc(-c2ccccc2)cc1 96906839 XQNVFMIFLZUNBY-UHFFFAOYSA-N 385.419 4.424 0 1 GIAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc([C@H](C)OC)cc3)oc2c1 139565276 ZLCPMONEIUVXQG-UONOGXRCSA-N 377.444 4.452 0 1 GIAF CC(C)n1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnc21 140215620 AZRASFAXLKCFTL-UHFFFAOYSA-N 387.447 4.300 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C 255224554 KXGVEGMKQFWNSR-AGZUGLJOSA-N 392.580 4.478 0 1 GIAF CCN(CC)C(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 299870366 VGGFHJKLCAAIOU-CJBPCBGQSA-N 385.548 4.094 0 1 GIAF in-vivo O=S(=O)(Cc1ccccc1-c1nc2cc3cn[nH]c3cc2[nH]1)c1ccccc1 586921308 GBGPJHWFBLHJRM-UHFFFAOYSA-N 388.452 4.080 0 1 GIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(Br)c2[nH]1 586962555 GBDQNXJVJJDYFR-NSHDSACASA-N 379.283 4.373 0 1 GIAF O=C1C[C@@H](Cc2nc3cncc(Cl)c3[nH]2)c2c(Br)cccc2O1 587003998 PUOUXJGBVIKMLB-MRVPVSSYSA-N 392.640 4.009 0 1 GIAF Cc1ccc(-c2cc(-c3nc4c(O)nc(O)nc4[nH]3)c3cccc(Cl)c3n2)o1 587083122 HGYSAWUJXKYDCI-UHFFFAOYSA-N 393.790 4.201 0 1 GIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(C)cnc(Cl)c2[nH]1 587112487 KPJKRZQREWLHBQ-QGZVFWFLSA-N 396.800 4.338 0 1 GIAF C[C@@H](c1nc2c(Cl)ncnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128572 BPZSOWLFSMMNAO-VKHMYHEASA-N 383.136 4.341 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(F)cnc3[nH]2)c1 587147389 PKBKOMXQVYLXOZ-UHFFFAOYSA-N 381.338 4.277 0 1 GIAF Nc1c(-c2nc3c(Br)cnc(Cl)c3[nH]2)cnc2c(F)cccc12 587176929 WFGXXFLADDWWQE-UHFFFAOYSA-N 392.619 4.310 0 1 GIAF COc1ccc2c(c1)CC[C@@](N)(c1nc3ccc(C(=O)c4ccccc4)cc3[nH]1)C2 587245872 AAGNUMDMUIXSBP-VWLOTQADSA-N 397.478 4.145 0 1 GIAF CC(C)[C@]1(Cn2cccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340501 HVXWGYUKPYECJX-UNMCSNQZSA-N 380.419 4.182 0 1 GIAF COC(=O)c1coc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587353906 OEDRCFVLVDMDOC-KNQAVFIVSA-N 396.370 4.185 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)cc(Br)c1O)CC2=O 587455356 BABAXAGGQNRSFB-MRXNPFEDSA-N 393.233 4.225 0 1 GIAF Cc1ccccc1[C@@]1(CN2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587518594 LSWGUUMANDYGKL-VWLOTQADSA-N 391.511 4.067 0 1 GIAF O=C1C[C@H](c2ccc(CN3CCOCC3)s2)Oc2c1ccc1c2CCCC1 587532328 PNQMBWOVJKXHSH-HXUWFJFHSA-N 383.513 4.166 0 1 GIAF CCn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 587576802 KNGGESPNKMYOED-SIKLNZKXSA-N 386.407 4.465 0 1 GIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587600685 OZIAGBRERKVJHJ-UGKGYDQZSA-N 378.380 4.112 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)C(F)F)(C2(C)CC2)N1 587723001 UPRAKFMUBHNPNK-VVVCHXIZSA-N 390.243 4.342 0 1 GIAF COc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)nn1C 587759057 RVPCYQOEWGOGKH-DYZYQPBXSA-N 396.304 4.077 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccc(O)cc23)N1 587804498 RDTPJHGRTFVDMK-LZVRBXCZSA-N 375.241 4.399 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CCC(=O)[C@@]3(C)CC2)N1 587818643 RQMNGIJQFSMMBH-KQPNJSLMSA-N 378.285 4.407 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2COc3ccccc3O2)N1 587833685 OQISJJGNOHLAFX-VMKIBOBSSA-N 392.268 4.178 0 1 GIAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1cc2c(s1)CCOC2 962701520 LHHIECLOBFVMSV-JLTOFOAXSA-N 375.534 4.413 0 1 GIAF Fc1ccc(-n2ncc([C@@H]3c4ccsc4CCN3Cc3cccnc3)n2)cc1 963019843 YSWJCHYYSIKJEC-NRFANRHFSA-N 391.475 4.011 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccc(F)cc2)(C2CCC2)N1 963228818 JFTIZILGXTYZGQ-GMAHTHKFSA-N 376.431 4.017 0 1 GIAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3noc4cc(F)ccc34)CC2)CC1 1772571639 ZTPVZJYMOVCRTF-RUCARUNLSA-N 387.499 4.231 0 1 GIAF C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC(F)F)c1)c1ccc(F)cc1 1772574177 MRSCRUMYAVOXFF-LLVKDONJSA-N 375.350 4.308 0 1 GIAF COc1ccccc1N1CCN(C[C@H]2CSC3(CCCCC3)S2)CC1 1772628102 GTCQGGCMEIGXAN-KRWDZBQOSA-N 378.607 4.326 0 1 GIAF CC(C)Nc1ccc2cnn(-c3cncc(-c4csc(C(=O)O)c4)n3)c2c1 1857757420 VVGYSHAYHPINHJ-UHFFFAOYSA-N 379.445 4.063 0 1 GIAF COc1c(O)ccc(CCC(=O)C[C@@H]2C[C@H](C)CCO2)c1-c1ccc(CN)cc1 2356727112 HLCZCZIBZRBAOS-IERDGZPVSA-N 397.515 4.233 0 1 GIAF CCCNC(=O)c1ccc2c(=O)n3c(-c4ccc(C)cc4)csc3nc2c1 13662301 MJZXHNHXKGHOTR-UHFFFAOYSA-N 377.469 4.024 0 3 GIAF COc1cccc(Nc2nc(-c3cccnc3Nc3cccc(OC)c3)n[nH]2)c1 28530152 PQTCBTASSWTCGR-UHFFFAOYSA-N 388.431 4.371 0 1 GIAF COc1cc(C2=C(c3ccc(SC)cc3)C[C@H]3CCCN3C2=O)ccc1O 29399109 JRKHNGFYDPJDMO-MRXNPFEDSA-N 381.497 4.428 0 1 GIAF Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CCC3)cc3c(nc(C)n3C)c2O1 34602432 ZSYMQWFFNGCWPV-FQEVSTJZSA-N 375.472 4.102 0 1 GIAF CCN(CC)C(=O)c1ccccc1C1=CC2(CCNCC2)Oc2ccccc21 40972491 OMBNKKNLAPQVAJ-UHFFFAOYSA-N 376.500 4.115 0 1 GIAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)OCCc1ccc(OC(F)(F)F)cc1 72316893 SDUGAUKFAUBAGC-MRXNPFEDSA-N 394.393 4.453 0 1 GIAF Cc1ccc(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)co2)cc1 82074840 MIARJPSXJREQBW-UHFFFAOYSA-N 375.472 4.044 0 1 GIAF COCCCNc1ncc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c(-c2cccc(C)c2)n1 82146158 DZCLIXGCTZCQAL-HDICACEKSA-N 396.535 4.019 0 1 GIAF Cc1ccc(-c2nc3c(NCc4cccs4)ncnc3n2C[C@H]2CCCO2)o1 82190462 WKMUPVVKBCQKLD-CQSZACIVSA-N 395.488 4.247 0 1 GIAF Cc1ccc(N2CCc3ncnc(N[C@H](C)c4ccc(F)cc4F)c3C2)nc1 114993175 HUNKNRMFRKNUAR-CQSZACIVSA-N 381.430 4.194 0 1 GIAF Cn1c(Cl)c(Cl)c2cnc(NC(=O)c3ccc(C(C)(C)O)cc3)cc21 145243000 JYCUSHKOWZOHEL-UHFFFAOYSA-N 378.259 4.360 0 1 GIAF CCCCC(C)(C)[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 169373300 MZFSUBMVKUYQSC-QSOHPBFASA-N 392.536 4.102 0 1 GIAF CCOC(=O)[C@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccc(C)cc1)CCCC3 169686297 KSRAGVSAGPERSL-OALUTQOASA-N 377.488 4.268 0 1 GIAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3CN(CC4CCOCC4)C3)cc12 226094608 BGBLAXBERYFBCR-UHFFFAOYSA-N 395.478 4.203 0 1 GIAF COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3C[C@@H](OC(C)=O)[C@]23C=NC[C@H]13 238782192 JMTFDESUPHRFIQ-CMHDHDCYSA-N 389.536 4.041 0 1 GIAF CC(C)COc1cc2nc([C@@H](O)c3cccc(O)c3)[nH]c2cc1Br 586892665 SZXYBOQXTFVMSX-KRWDZBQOSA-N 391.265 4.148 0 1 GIAF CCOC(=O)Cc1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1 587068027 GBADJRCKEUPTML-UHFFFAOYSA-N 380.835 4.379 0 1 GIAF O=C(N[C@H](c1ccccc1)c1nc2cc(F)c(F)c(F)c2[nH]1)c1ccccc1 587219609 OKANAFYQUWBREG-GOSISDBHSA-N 381.357 4.500 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3cc(Br)ccc31)O2 587374073 WZPQRPJIMMTZST-IBGZPJMESA-N 388.261 4.373 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cncc(Br)c1)CC2=O 587458517 KHVSFMFPFDLGBE-GOSISDBHSA-N 376.250 4.383 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C=O)c3c(c1)CCCN3C)CC2=O 587475594 PVBUKNBFLFRNMK-OAQYLSRUSA-N 379.456 4.246 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OC)([C@H](C)c1ccccc1)CC2=O 587483149 VLVXAKZZUFIKAA-CMJOXMDJSA-N 382.456 4.416 0 1 GIAF COc1ccccc1CNC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587511446 KWBWGWJHGLZPNO-DEOSSOPVSA-N 393.483 4.004 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(-n2ccnc2)c1 587574783 BZNBXCUQERAQEQ-NZQKXSOJSA-N 384.391 4.281 0 1 GIAF COC(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587592267 JQHFBRJLLINPJF-AUSIDOKSSA-N 390.391 4.056 0 1 GIAF CC(=O)Oc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587599843 ICJIYAANXQGGII-NFBKMPQASA-N 390.391 4.195 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(-n2ccnc2)cs1 587610005 BBHCDCQARKNWQN-WIYYLYMNSA-N 390.420 4.342 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3c(cnn3C)cc2F)N1 587727774 DIFHHFSOMVCSJQ-DYBLOJMWSA-N 392.247 4.238 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2ccccn2)N1 587773926 SGYPZUCDMHJSFG-VOJFVSQTSA-N 377.257 4.006 0 1 GIAF COCCOc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587789441 BYBRRPCUVULDEW-HXPMCKFVSA-N 394.284 4.237 0 1 GIAF CCCCC[C@]1(C(=O)OCC)N[C@H](C)Cc2cc(Br)c(F)cc21 587795688 IWOTWDTUILOJPG-XIKOKIGWSA-N 386.305 4.461 0 1 GIAF Cn1cc([C@@H]2c3ccsc3CCN2C(N)=O)c2cc(Br)ccc21 962695999 FETXRRURIFVAAH-INIZCTEOSA-N 390.306 4.029 0 1 GIAF Cc1cccc(C)c1[C@]1(CC(C)(C)C(=O)O)c2ccsc2CCN1C(N)=O 962701425 AQAIIMCPPBFMAN-NRFANRHFSA-N 386.517 4.046 0 1 GIAF Cc1cc(-c2cnn(C)c2)cc([C@@H]2CCN(C(=O)c3cnc(C(C)C)s3)C2)n1 1772578067 XAGDCRJELBWUMZ-OAHLLOKOSA-N 395.532 4.000 0 1 GIAF CC(C)C(=O)N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12 1857541747 BENHSWJEVQCMOU-UHFFFAOYSA-N 396.800 4.168 0 1 GIAF O=S(=O)(c1ccc(Oc2cc(F)cc(Cl)c2)c(CO)c1)C(F)(F)F 1857634954 BLVGQUDNZRRGEJ-UHFFFAOYSA-N 384.734 4.057 0 1 GIAF O=C1OC(=Cc2ccc(O)c(Br)c2)C(c2ccc(O)cc2)=C1Cl 2356551909 WXCBXFXYLBBMBQ-UHFFFAOYSA-N 393.620 4.408 0 1 GIAF Nc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccccc1Br 169304025 OLGKZNGMUYFEID-UHFFFAOYSA-N 390.668 4.163 0 3 GIAF OCCN1N=C2c3cc(Cl)ccc3SC[C@H]2[C@H]1c1ccc(Cl)cc1 4389051 CIUJUUCPECGPRN-CRAIPNDOSA-N 379.312 4.469 0 1 GIAF COc1ccc(C2=NN(CCc3ccccc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474096 FDJPZBHXIZZOLP-VQTJNVASSA-N 392.499 4.299 0 1 GIAF COC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@@H]1O2 26578346 IXQQMWIAXLMOHP-FYQPLNBISA-N 388.410 4.180 0 1 GIAF Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4Br)cc23)n1 45321474 MEUYOPBFTQWYFU-UHFFFAOYSA-N 397.236 4.057 0 1 GIAF CCCNC(=O)c1ccc(Nc2nc(CCC(F)(F)F)c3cc[nH]c3n2)cc1 63540079 ZLLCVOJWNDZXIO-UHFFFAOYSA-N 391.397 4.336 0 1 GIAF CC(C)N(C)S(=O)(=O)c1ccccc1-c1ccc(CN2CCCCC2)cc1 72142798 CBTNDFXQQYYQCL-UHFFFAOYSA-N 386.561 4.368 0 1 GIAF Cn1cc(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)no3)C2)c2ccccc21 95589428 MXFBEONXKZKDQO-KRWDZBQOSA-N 386.455 4.248 0 1 GIAF C[C@@H](O)c1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1 96928686 YQGXDIMXGPVNAI-SECBINFHSA-N 394.258 4.043 0 1 GIAF O=c1c2ccccc2nc(/C=C(\O)c2ccccn2)n1-c1ccccc1Cl 100014159 VNFWNSFVDIANMH-UYRXBGFRSA-N 375.815 4.490 0 1 GIAF COC(=O)C[C@H]1[C@@H](Cc2ccccc2)C[C@@H]2[C@@H](Cc3ccccc3)C[C@@H]1N2C 100800667 XXQUTIIQIQULCG-NLPWIYRPSA-N 377.528 4.360 0 1 GIAF CCC(=O)c1sc(-c2ccoc2)c(C)c1-c1ccc(S(N)(=O)=O)cc1 148875158 OQAQFUUCFJQMEV-UHFFFAOYSA-N 375.471 4.224 0 1 GIAF O=C(NCCc1ccc(NC(=O)N2Cc3ccccc3C2)cc1)c1ccccc1 166495867 GFXPLAXRRPTXQU-UHFFFAOYSA-N 385.467 4.207 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4CC(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@]12C 169714079 YVZMTHUNKWMORW-HPGFXGRZSA-N 386.580 4.373 0 1 GIAF CCCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)C(=O)NCC)cc3)C2)cc1 221035330 FZSCBLOZHIFZOA-FDDCHVKYSA-N 396.531 4.373 0 1 GIAF COc1ccc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)cc1 221091011 WCAUWSLHBNTPAH-VIZZQPHQSA-N 390.455 4.008 0 1 GIAF CCn1c(NC2CCCC2)nc2c(-c3ccc(C(=O)OC)cc3)csc2c1=O 299833320 KNKPONLBTNMNAZ-UHFFFAOYSA-N 397.500 4.286 0 1 GIAF C[C@@H]1CCCN1[C@H]1CCN(c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)C1 299845490 AXJXHEHQTGYGND-JPYJTQIMSA-N 392.547 4.068 0 1 GIAF Cc1cc(-c2ccc(CCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1 473123200 UBCHFVBCRIKZNI-UHFFFAOYSA-N 395.466 4.480 0 1 GIAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)C(C)C 586933271 OPZJFSKBHZMZQL-CYBMUJFWSA-N 378.325 4.286 0 1 GIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586971885 AGUQJBLYPLSNEK-LLVKDONJSA-N 397.397 4.230 0 1 GIAF COC(=O)C1(c2ccc(F)cc2)CCC2(CC1)CC(=O)c1cc(C)cc(N)c1O2 587383362 BABSSUNZIBKVNQ-UHFFFAOYSA-N 397.446 4.105 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3CCOC3=O)c1)CC2=O 587475478 OPDICQNZNCITPX-JOCHJYFZSA-N 381.428 4.182 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCN(CC)CC3)cc1)CC2=O 587476016 SJMNJVBNDOPKGF-HSZRJFAPSA-N 394.515 4.193 0 1 GIAF O=C(O)C1CC2(CCC3(CC2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 587611246 RQXFSVSUJYFHTF-NBUXLSIXSA-N 394.423 4.148 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587723504 AKAUHIURZRAKBZ-XLFHBGCDSA-N 396.231 4.138 0 1 GIAF COc1cc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587770913 KOPZVWOOLDXDCW-XTZNXHDOSA-N 379.273 4.232 0 1 GIAF COc1ccc(-c2nc3ccc(I)cc3[nH]2)c(OC)c1C 587787570 LTPBDBSTEIPWTK-UHFFFAOYSA-N 394.212 4.160 0 1 GIAF CCOC(=O)C[C@@H]1CCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587800495 YCVNRYFRQCWTFA-YNKQFZHNSA-N 384.289 4.071 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccc(O)cc23)N1 587804500 RDTPJHGRTFVDMK-YYSFKGJASA-N 375.241 4.399 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3oc(CO)cc3c2)N1 587833859 PKSBZQLYFCZFFY-OVWNDWIMSA-N 390.252 4.450 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cc(O)ccc32)N1 587834421 RWNSKNOEJHOMIU-WLRWDXFRSA-N 376.269 4.408 0 1 GIAF Cc1cnc(C)c(-c2ccc3c(c2)CC[C@H](C)N3C(=O)c2ccc(O)cc2O)n1 653671244 XBXCLVBYMZQBFQ-AWEZNQCLSA-N 389.455 4.153 0 1 GIAF COc1ccc([C@H]2CC(c3ccc(-n4cccc4)cc3)=NN2C(C)=O)cc1OC 653845308 BOHYVGIWNOFGRS-OAQYLSRUSA-N 389.455 4.192 0 1 GIAF Cc1c(F)ccc2c1[C@]1(CCCC[C@H](N3C(=O)c4ccccc4C3=O)C1)NCC2 962141915 CKOYSFIHCXRLKD-BXKMTCNYSA-N 392.474 4.104 0 1 GIAF O=C1c2cc(-c3cccc(C(F)(F)F)c3)ccc2OCCN1Cc1ncccn1 1772629638 FLHUODDHEZABET-UHFFFAOYSA-N 399.372 4.197 0 1 GIAF Cc1c(-c2ccc(N3CCC[C@](C)(O)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772633443 ZPGYMHWNUVSTTQ-QFIPXVFZSA-N 384.426 4.133 0 1 GIAF c1ccc(OCCNC[C@@H]2OCCOC2(c2ccccc2)c2ccccc2)cc1 1857545742 GUNSNWQEXKKLDR-DEOSSOPVSA-N 389.495 4.014 0 1 GIAF CC(=O)NCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1857628184 LFTJJJCZPOWYNJ-UHFFFAOYSA-N 385.678 4.430 0 1 GIAF CCC(C)(C)c1ccc(OCCCCN2CCN(c3cnccn3)CC2)cc1 1857629230 AXSBUUREHUWYMO-UHFFFAOYSA-N 382.552 4.145 0 1 GIAF COc1ccc(N2C(=O)[C@H](C)N(Cc3ccc(F)cc3)C2=S)cc1Cl 1857754343 IZIBNTJEDKXKCS-NSHDSACASA-N 378.856 4.010 0 1 GIAF CCC[C@H]1c2cc[nH]c2C=C[C@@H]1C(=O)CC(=O)CCc1ccc(O)c(OC)c1 2356293011 YYXNFYUGKRNIIF-HKUYNNGSSA-N 381.472 4.417 0 1 GIAF CC1=C[C@@H]2CC(C)(C)C[C@@H]2[C@]2(C)C[C@@H](OC(=O)c3c(C)cc(O)cc3O)[C@]12O 2356829409 IYEAUWRMSINGJO-PHPVFBPISA-N 386.488 4.085 0 1 GIAF COc1ccc(C(=O)[C@H](OP(=O)(OC)OC)c2ccccc2OC)cc1 95600614 MYVSHUVGTPXRQE-GOSISDBHSA-N 380.333 4.045 0 3 GIAF CCCN(CC1CC1)c1ccc2[nH]c(=O)c(CSCc3ccccc3)nc2n1 2500168 NSICSPMGPIYHHZ-UHFFFAOYSA-N 394.544 4.378 0 1 GIAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccc(Cl)c(Cl)c1)CN2 5463814 RYXHPKXJBBAPCB-UHFFFAOYSA-N 380.235 4.085 0 1 GIAF COC(=O)[C@H](C)NC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl 13438069 AYKDMPODBQYOKS-NSHDSACASA-N 381.259 4.337 0 1 GIAF COc1ccc(C2=C(c3cccc(OC(C)=O)c3)CN3CCC[C@@]3(C)C2)cc1O 14824724 NXAUETMHJIPRPU-DEOSSOPVSA-N 393.483 4.495 0 1 GIAF biogenic N[S@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(Br)cc1 25976563 VODBTSQLPXGBCP-NRFANRHFSA-N 388.674 4.035 0 1 GIAF Cc1ccc(OCCCCC(=O)O)c(C(=O)c2ccc(-n3ccnc3)cc2)c1 28395427 QXGHJRGAOBMYHZ-UHFFFAOYSA-N 378.428 4.045 0 1 GIAF Cc1ccc(NC(=O)Nc2c(C(C)C)n(C)n(-c3ccccc3)c2=O)cc1F 38157796 OHVNQRHFQZYYEB-UHFFFAOYSA-N 382.439 4.391 0 1 GIAF COc1cc(N[C@@H](C)CCCNC(=O)NC2CCCCC2)c2ncccc2c1 40848090 IQSWJNYCEAVKSC-INIZCTEOSA-N 384.524 4.456 0 1 GIAF COc1cc2nccc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1C(C)=O 64503613 ANEFRAHSGRPMHZ-UHFFFAOYSA-N 386.407 4.490 0 1 GIAF Fc1ccc(-c2cc3nc(-c4ccccc4)cc(NC4CCNCC4)n3n2)cc1 72102999 YIEDATYITJTVNQ-UHFFFAOYSA-N 387.462 4.366 0 1 GIAF COc1cc2c3c(c1OCC(C)C)-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 72117081 BLXLNQMZEWSHPC-QGZVFWFLSA-N 381.472 4.211 0 1 GIAF O=C(C[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1)c1ccc(-c2ccccc2)cc1 84632457 DSVISRDBBLQUBI-BJKOFHAPSA-N 399.490 4.131 0 1 GIAF Cc1ccc2c(c1)c1c(n2CC(=O)O)CCN(C(=O)c2cccc3ccccc23)C1 96271034 GEZZLXQCQXBMNF-UHFFFAOYSA-N 398.462 4.386 0 1 GIAF NS(=O)(=O)c1ccccc1-c1ccc2[nH]c(/C=C/c3ccc(F)cc3)nc2c1 117150666 DUELRCOKXDCVQL-KPKJPENVSA-N 393.443 4.187 0 1 GIAF C[C@@H]1CC2=C(NC(=O)N[C@@H]2c2ccc(O)c(Br)c2)c2ccccc21 140018068 YCLJXUBKLRXEKU-BMLIUANNSA-N 385.261 4.427 0 1 GIAF Cn1nc(-c2nccs2)cc1-c1ccc(C(=O)Nc2ncccc2F)s1 142593940 TUMHROIRXUWFRA-UHFFFAOYSA-N 385.449 4.059 0 1 GIAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@@H]1COc2cncc(C3CC3)c21 146505209 SRHDBOPTCYBGNF-CQSZACIVSA-N 396.796 4.424 0 1 GIAF CCC[C@@H]1C[C@@]2(CC[C@H]1O)CCN(c1ccc(OCC(F)(F)F)cc1)C2=O 169702040 QGVFVHFQCBELNT-LSBZLQRGSA-N 385.426 4.312 0 1 GIAF Cc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC3CC3)c2n1 207628022 JRGQKNKLDYZXPO-UHFFFAOYSA-N 385.475 4.299 0 1 GIAF CCN(CC)C(=O)[C@H]1CCC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299819558 GYORZCSFWWIIFC-ZOGIJGBBSA-N 388.596 4.382 0 1 GIAF COc1ccc(-c2c(-c3ccc(F)cc3)[nH]c3nc(N)nc(N(C)C)c23)cc1 299823933 CFPHVFOIVQIXKO-UHFFFAOYSA-N 377.423 4.088 0 1 GIAF Fc1cc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2cc1F 587019048 UCXVRJGIRAMGJA-UHFFFAOYSA-N 385.395 4.327 0 1 GIAF C[C@H](c1nc2cc(N)c(N)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129870 MRKRXJXPECWRTG-SCSAIBSYSA-N 376.745 4.062 0 1 GIAF C[C@]1(c2nc3cc(Br)cc(F)c3[nH]2)C=C(c2ccccc2F)NO1 587153864 AWSUITADMSKCPZ-QGZVFWFLSA-N 392.203 4.395 0 1 GIAF CN(C)c1ccc(-c2nc3cc(Br)c(Br)cc3[nH]2)nc1 587194191 AHSNAEODZWMXMX-UHFFFAOYSA-N 396.086 4.216 0 1 GIAF COC(=O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc2O1 587502262 BXXQOKVISMQACU-QHCPKHFHSA-N 394.398 4.015 0 1 GIAF COc1cc(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Cl 587543701 LIJMYCLSDNRNSA-WIYYLYMNSA-N 398.798 4.463 0 1 GIAF C[C@]1(CC(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587575471 BZQMHAPYUZGMCH-NZQKXSOJSA-N 389.407 4.141 0 1 GIAF COCCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599614 YHGHSDPEHYOYBW-NZQKXSOJSA-N 392.407 4.120 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]([C@H]2CCCC2=O)(C(F)(F)F)N1 587709964 PKZNRIOSYCOCGE-UYNUJQBQSA-N 394.206 4.249 0 1 GIAF Cc1cc(-n2cccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)no1 587757021 UCUBENQVPJUYCF-YPMLDQLKSA-N 390.256 4.299 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CC[C@H]2CN(C(C)(C)C)C1 587776146 VHVRUDYVZUNNGL-SNPRPXQTSA-N 395.360 4.458 0 1 GIAF CCOC(=O)c1[nH]c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587789756 FYFHHDHORVVCLR-DYZYQPBXSA-N 395.272 4.025 0 1 GIAF CC(=O)Nc1ccsc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587845387 QWEWIYOMEYGMML-GLEZIHRCSA-N 383.286 4.232 0 1 GIAF Cc1cc(-n2c(O)ccc2OCc2ccccc2)nn1Cc1ccccc1F 587945114 JXVDTXQZCJOKJK-UHFFFAOYSA-N 377.419 4.454 0 1 GIAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(Br)c(F)c(F)c4[nH]1)(C3)C2 587969700 URGQWFYUWXFULF-MXDWJEAXSA-N 381.220 4.250 0 1 GIAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1ccc(Br)cn1 962706793 OOOJHTAJGMLCKQ-SCLBCKFNSA-N 393.325 4.436 0 1 GIAF CCNC(=O)Cn1nc(C(F)(F)F)c2c(-c3ccccc3)c3ccccc3nc21 1772576999 IDHZATRETLKITC-UHFFFAOYSA-N 398.388 4.406 0 1 GIAF CCOC(=O)c1csc(-c2csc(-c3csc([C@@H](O)C(C)C)n3)n2)n1 1772607560 UWQGYYGGDCCZOL-LBPRGKRZSA-N 395.531 4.256 0 1 GIAF CO[C@H]1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc(O)c(CC=C(C)C)c1 2356803103 WSOSQBNYWYUTQJ-QHCPKHFHSA-N 380.440 4.132 0 1 GIAF O[C@@H]1CN(CC2CCCCC2)[C@@H](c2ccccc2)C[C@H]1n1cc(C2CC2)nn1 61923970 RPLSDUZTQXIMPH-DNVJHFABSA-N 380.536 4.085 0 3 GIAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)C)c(OC)c1OC 776270 MKWRUFFKGRTMAU-UHFFFAOYSA-N 390.480 4.051 0 1 GIAF C=CC(=O)Nc1ccc2ncnc(N3CCc4ccc(Br)cc43)c2c1 1489756 NIPWAVUDLFTENM-UHFFFAOYSA-N 395.260 4.211 0 1 GIAF O=C(CCC(=O)n1ncc2ccc(Cl)cc21)N[C@H]1CCCc2ccccc21 6768492 NQVOGBIPTTWWSF-SFHVURJKSA-N 381.863 4.304 0 1 GIAF C[C@]12CC[C@@H]3c4cc(I)c(O)cc4CC[C@H]3[C@@H]1CCC2=O 28469902 WUMFCTLKPPLCNY-JPVZDGGYSA-N 396.268 4.422 0 1 GIAF CCCC(=O)O[C@H]1CCCC[C@@H]1Cc1ccc(OCCNC(=O)OCC)cc1 28959478 PHHYXISIQPVOBX-QUCCMNQESA-N 391.508 4.256 0 1 GIAF CCOC(=O)c1c(C)nc2nc3c(c(N)c2c1-c1ccc(OC)cc1)CCCC3 28968825 ZOTLYQAYVPBSTD-UHFFFAOYSA-N 391.471 4.252 0 1 GIAF COc1cc(C(=O)c2c[nH]c3c(Cl)c(OC)ccc23)cc(OC)c1OC 43013860 IVATXGUPICYMJL-UHFFFAOYSA-N 375.808 4.087 0 1 GIAF O=C1N(Cc2cc3ccccc3s2)C[C@@H]2CN(Cc3ccccc3)CCN12 45303069 QJVVTSYNUZFGTP-IBGZPJMESA-N 377.513 4.023 0 1 GIAF CCOc1cc2c(cc1O)CC[n+]1cc3c(OCC)c(OCC)ccc3cc1-2 59586678 FGYQEGYTDGFUED-UHFFFAOYSA-O 380.464 4.252 0 1 GIAF biogenic,in-vitro CC(=O)N1N=C(c2ccc(Br)cc2)O[C@@H]1c1ccc(Cl)cc1 72178806 PXQWXUUWUNHOMH-MRXNPFEDSA-N 379.641 4.342 0 1 GIAF C[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCCC1=CCCCC1 82083139 PZLBMZNKTIQSAC-HNNXBMFYSA-N 398.532 4.012 0 1 GIAF Cc1ccc(CNc2ncnc3c2nc(C2CC2)n3CCN2CCCCC2)cc1 82179390 ZGOJLVVUWPBITQ-UHFFFAOYSA-N 390.535 4.110 0 1 GIAF O=C(O)c1cc(C2CC2)ccc1Cc1cnc(-c2c(F)cc(O)cc2F)nc1 96173333 TXNPRRNMVBHPCV-UHFFFAOYSA-N 382.366 4.294 0 1 GIAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@@H](c2ccc(O)cc2)NC(=O)N1 145419397 BENQYSGJOKEREW-LJQANCHMSA-N 388.452 4.172 0 1 GIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cnc(Cl)[nH]c-2n1 587034092 MWEYCUKPTOEVMD-NSHDSACASA-N 385.880 4.444 0 1 GIAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cnnc(O)c2[nH]1 587121421 BZBGZJWJZJGYIJ-UHFFFAOYSA-N 393.350 4.056 0 1 GIAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)cc2N1 587127086 RFABIIFOWBHCLE-QUBYGPBYSA-N 390.291 4.148 0 1 GIAF Cc1cc(-c2nc3cc(C(=N)N)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587143810 AQNRPBWHFHOYBM-UHFFFAOYSA-N 388.402 4.327 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)nc-2[nH]1 587152451 NLKAREBZNVVGNL-ZIAGYGMSSA-N 393.397 4.172 0 1 GIAF CN(C)c1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)nc1 587194296 CFXFJWADETVLFJ-UHFFFAOYSA-N 385.187 4.472 0 1 GIAF CCn1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587339845 FTNHWPLUNYDOGS-IFMALSPDSA-N 380.419 4.330 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(NC(=O)c3cccnc3)c1)O2 587391007 QSJHDXSYKPKXIP-HSZRJFAPSA-N 387.439 4.105 0 1 GIAF COc1ccc(-c2ncc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cc1OC 587415392 ZTAQWGVBUCLNAW-GOSISDBHSA-N 396.468 4.424 0 1 GIAF COc1ncc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Cl 587549913 TVCNPIOSUCLGSE-LAUBAEHRSA-N 397.814 4.326 0 1 GIAF CC(C)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568401 CGFPZIZJOGVDTJ-URXFXBBRSA-N 389.451 4.247 0 1 GIAF CC(C)(C)OC(=O)NC(C)(C)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571539 LRDJSQMIZAURPJ-VQIMIIECSA-N 399.443 4.026 0 1 GIAF C[C@H](Oc1ccccc1O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597153 SXAGNXAZAFGUJM-MHALITNNSA-N 392.407 4.286 0 1 GIAF O=c1c2cc(Cl)ccc2cnn1-c1nc2cc(Cl)ccc2nc1Cl 587652039 UQZPSFGHHOEPTI-UHFFFAOYSA-N 377.618 4.289 0 1 GIAF CCc1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 587769455 GGTAXWQYDDFUFO-BBATYDOGSA-N 388.284 4.422 0 1 GIAF COCCOC[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587798093 XJSSMUPWIYVRBL-SGTLLEGYSA-N 388.321 4.027 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N[C@H](C)C1CC1 587867015 UJVKRWLDWDMTLL-LLVKDONJSA-N 383.439 4.489 0 1 GIAF COc1ccc(C(C)(C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653768963 KFQUGDWWBVIJPW-UHFFFAOYSA-N 397.471 4.452 0 1 GIAF CC(C)c1cc(O)ccc1[C@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962664035 KHZSSICKSYKJHQ-ZJSXRUAMSA-N 390.483 4.252 0 1 GIAF CSc1ccc([C@]2(c3[nH]c(O)nc3C)NCCc3cccc(Cl)c32)cc1 963390359 IBKCPVVKKXSYMS-FQEVSTJZSA-N 385.920 4.237 0 1 GIAF CCCCOc1nc2ccc(OC)cc2cc1[C@@H]1CNC(=O)c2ccccc2N1 1857631377 LUZUBDQIKGDLBD-NRFANRHFSA-N 391.471 4.319 0 1 GIAF CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)N[C@H](CO)C(=O)O 2356783481 LMAARKZBQFFVIV-HXUWFJFHSA-N 387.520 4.080 0 1 GIAF CCCCC[C@@H](O)C(C)(C)C(=O)N1C(=O)OC(C)(C)[C@@H]1Cc1ccccc1 2356854434 ROQRBGPOJLWCGH-ZWKOTPCHSA-N 375.509 4.323 0 1 GIAF O=c1c(-c2ccc(Cl)cc2)nc2cncnc2n1Cc1ccccc1Cl 4238442 AMNVQZQMZVDKNO-UHFFFAOYSA-N 383.238 4.209 0 1 GIAF CCc1ccc(C(=O)Nc2cc(O)ccc2NC(=O)c2ccc(OC)cc2)cc1 13557928 YNOXUHMYGVRTAH-UHFFFAOYSA-N 390.439 4.468 0 1 GIAF CC(=O)O[C@H]1[C@H]2c3c(ccc4c(=O)cc(-c5ccccc5)oc34)O[C@H]2OC1(C)C 14695520 XTIQPKJOGKMOSY-HJNYFJLDSA-N 392.407 4.003 0 1 GIAF COc1cc(-c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)c(OC)cc1O 28971439 NIJHLDLKJBWHOF-UHFFFAOYSA-N 398.411 4.103 0 1 GIAF biogenic CCCCN(C=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36189665 CHFVUVDSWHAXBF-KBOPKFICSA-N 388.596 4.477 0 1 GIAF CCC(=O)N(Cc1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 36507131 OYQFIXSFUPMSAU-QFIPXVFZSA-N 398.503 4.217 0 1 GIAF biogenic CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccnn1-c1ccccc1 38308454 VUJRTRFALCAJAK-KRWDZBQOSA-N 395.937 4.263 0 1 GIAF CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)nc1OCCO 40974872 MRBZFQJIPOUVHM-UHFFFAOYSA-N 387.524 4.075 0 1 GIAF COc1cc(OC)c2c(=O)cc(-c3c(F)cccc3F)oc2c1-c1ccnn1C 95588010 VEYYASQJMHFGLH-UHFFFAOYSA-N 398.365 4.156 0 1 GIAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@H]3[C@@H]1C5 100989907 GRNLHIJZMLLROK-HKDRDPIHSA-N 396.490 4.258 0 1 GIAF O=C(N[C@@H](c1ccccn1)C(F)(F)F)c1cc(OCC2CC2)c(C2CC2)cn1 149231785 RKWJRVCFEIUUOB-SFHVURJKSA-N 391.393 4.176 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@@H](C)C(=O)N1Cc1cccc(OC(F)F)c1 166829542 KVUGNCAMECQIRX-CJNGLKHVSA-N 391.414 4.415 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)[C@H]([C@@H](O)C(F)(F)F)C[C@]34C)[C@@H]1CC[C@@H]2O 169290205 HTYHKJJOVXZDHV-YHIOFVFVSA-N 388.470 4.108 0 1 GIAF CCCCCCC(=O)NCc1ccc(OC[C@H](O)CNC(C)(C)C)c(Cl)c1 169336700 KFZPTSIYDQNXJU-QGZVFWFLSA-N 398.975 4.054 0 1 GIAF O=C(Nc1ccc2oc(-c3ccc(F)cc3)c(CO)c(=O)c2c1)c1ccccc1 299864067 LTWPXJPTCZGCDY-UHFFFAOYSA-N 389.382 4.344 0 1 GIAF Cc1c(-c2nc3ncc(Br)c(Cl)c3[nH]2)oc2c1[C@H](O)CCC2 586905051 GBNZOKCQRCPRHQ-MRVPVSSYSA-N 382.645 4.312 0 1 GIAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)c(F)cc2[nH]1 586939969 YNDQZLKMLBAPLP-INIZCTEOSA-N 399.850 4.170 0 1 GIAF COc1cc(-c2nc3c(S)nc(S)nc3[nH]2)cc(Cl)c1OCC(C)C 587046425 UAFBOTKWPVSPTM-UHFFFAOYSA-N 396.925 4.294 0 1 GIAF O=S(=O)(c1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1)C(F)(F)F 587084391 LJGJHNJXADIMPV-UHFFFAOYSA-N 396.177 4.225 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 587108947 JRDZUCJGZQEJMY-UHFFFAOYSA-N 392.333 4.053 0 1 GIAF CC[C@H](c1nc2ccc(F)c(C)c2[nH]1)n1cc(I)c(C)n1 587184547 BKMLZIQCULQFLW-CYBMUJFWSA-N 398.223 4.119 0 1 GIAF CCOC(=O)C[C@@H]1CCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587345614 GBHPUQBMIQJJCB-VSUDMRMVSA-N 398.430 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccccc2)Nc2ccccc21 587401196 QSDZCTPOUVOZFT-URXFXBBRSA-N 384.435 4.174 0 1 GIAF CC(=O)N(c1ccccc1)c1nc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cs1 587415403 ZXWCLGJHZZTZEV-LJQANCHMSA-N 393.468 4.425 0 1 GIAF CCCc1c(O)ccc2c1O[C@H]([C@@H](Cc1ccccc1)C(=O)OCC)CC2=O 587480564 LDFAVODEWXJYQY-NQIIRXRSSA-N 382.456 4.101 0 1 GIAF COc1cc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587557201 MKDYXTBGCULOPJ-RXVVDRJESA-N 384.334 4.382 0 1 GIAF CCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1 587593496 DVIALUXCBWUIOM-KNQAVFIVSA-N 378.380 4.199 0 1 GIAF O=C(O)Cc1c(-c2ccc(I)cc2)[nH]c2cc(F)ccc12 587634763 DITLJSCFWPVTMC-UHFFFAOYSA-N 395.171 4.206 0 1 GIAF CCn1cc([C@@]2(CC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1 587754089 CQNUURILRSGBKK-BBATYDOGSA-N 380.305 4.301 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)N2CCCCCC2)N1 587764593 GFVHBDJOOHGFRQ-ORAYPTAESA-N 397.332 4.130 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C(C)(C)C)nc2)N1 587772156 DSZFMJZOCIMSAU-MGPLVRAMSA-N 378.289 4.299 0 1 GIAF COc1cccc(OCc2ccc(-c3nc4cc5[nH]c(O)nc5cc4[nH]3)cc2)c1 587781060 CZAJLXDLDIGHOE-UHFFFAOYSA-N 386.411 4.399 0 1 GIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1O 587804938 DMSBDILUGGSTJJ-XTZNXHDOSA-N 380.257 4.100 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1c(Cl)cnn1C 587857458 QIXAKGHNKKDSDJ-UHFFFAOYSA-N 399.665 4.331 0 1 GIAF CCN(Cc1cc(=O)n2c(-c3cccnc3)c(C)sc2n1)c1ccc(F)cc1 653850785 AJHMHTJMLSRTHL-UHFFFAOYSA-N 394.475 4.292 0 1 GIAF Oc1cccc2ccc([C@H]3NC4(CC4)Cc4ccc(Br)cc43)nc12 961751994 ULUBKMUDEWNCGM-IBGZPJMESA-N 381.273 4.471 0 1 GIAF CC(=O)c1ccc2c(c1)[C@](C)(C(C)(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962619893 HOEQWMDFOPMHFV-HTAPYJJXSA-N 389.492 4.397 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(c1cc(F)c(OC)c(F)c1)N(C)[C@H](C)C2 962620385 HHUNZCQRLQFGTJ-GTJPDFRWSA-N 377.431 4.131 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1cc(CN3CCCC3)cs1)N(C)[C@@H](C)C2 962638260 PFYIARLXOOMULJ-OYHNWAKOSA-N 386.561 4.327 0 1 GIAF Cc1ccccc1[C@]1(c2ccc(Cl)nc2)c2ccsc2CCN1C(N)=O 962713808 PKQHHUIYWVXQTP-HXUWFJFHSA-N 383.904 4.334 0 1 GIAF COc1ccc(CC[C@]2(C3CCCC3)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962896220 LILNFBHOPRNWSU-LADGPHEKSA-N 397.490 4.452 0 1 GIAF Cc1cc(-c2nc3cnc(C(C)C)cc3n2[C@@H](C)c2ccccn2)cn(C)c1=O 1772598188 IBUXQRGEDISVTN-INIZCTEOSA-N 387.487 4.233 0 1 GIAF COc1ccc(OC[C@H]2c3sccc3CCN2C(=O)/C=C/C(F)(F)F)cc1 1911574302 NLSQSCUGQPRTKT-FSNWXROXSA-N 397.418 4.380 0 1 GIAF CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 61927184 CDGUYXDPYFMYQR-CYBMUJFWSA-N 375.412 4.104 0 3 GIAF Cc1cc(F)ccc1-c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)[nH]n1 61930515 YUYYBMZFVWSSIB-UHFFFAOYSA-N 377.341 4.473 0 3 GIAF O=C(CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc21)c1ccc2ccccc2c1 26503651 DEDOTKKBUCBQDO-UHFFFAOYSA-N 399.324 4.151 0 1 GIAF COc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)cc2)cc1 27090896 BWFDMIARJCANFO-UHFFFAOYSA-N 396.390 4.175 0 1 GIAF CN1C(=O)Cc2cc3onc(CCC4CCN(Cc5ccccc5)CC4)c3cc21 28461148 FWOCRPGNZYJWBL-UHFFFAOYSA-N 389.499 4.192 0 1 GIAF COc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCOCC3)n2)cc1 28474125 AMGUDWYSOPGBPL-UHFFFAOYSA-N 386.455 4.137 0 1 GIAF COC[C@@H]1CN=C(c2ccc(OCCCCCCCc3cc(C)no3)cc2)O1 29563639 LJVZYMROJSHUQK-NRFANRHFSA-N 386.492 4.347 0 1 GIAF COc1cc2oc(-c3ccc(Br)cc3)cc(=O)c2c(OC)c1OC 82149749 DHUFKHZPEHDRNU-UHFFFAOYSA-N 391.217 4.248 0 1 GIAF CC(C)c1nc2c(NCc3ccc(F)cc3)ncnc2n1CCc1ccccn1 82185940 SLDPYJACDUDGJT-UHFFFAOYSA-N 390.466 4.339 0 1 GIAF CCOc1ccc(-c2csc(N[C@@H](CCSC)C(=O)NC(C)C)n2)cc1 82195809 ODKAXWVJYBBQGU-INIZCTEOSA-N 393.578 4.267 0 1 GIAF C[C@]1(Cc2ccccc2)OC(=O)c2c1ccn(CCc1ccc(Cl)cc1)c2=O 96909530 ZGCWGZACIPZDKE-HSZRJFAPSA-N 393.870 4.373 0 1 GIAF CCc1ccc(C(=O)OCc2cn(-c3ccnc4cc(Cl)ccc34)nn2)cc1 103270063 SSCBYAAWVFOPRB-UHFFFAOYSA-N 392.846 4.388 0 1 GIAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-n2cccc2)cc1)C3 195280037 JMLZRLQBGATUMI-YMSCRGIRSA-N 376.500 4.154 0 1 GIAF NCCCn1c2ccccc2c2ccnc(CN[C@H]3CCCc4cccnc43)c21 200692633 ANEBBEKYLUMKMR-FQEVSTJZSA-N 385.515 4.101 0 1 GIAF Cc1ccc(CNC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12 221022858 JHKCROCKUJZVRL-UHFFFAOYSA-N 399.454 4.217 0 1 GIAF C[C@@H](Sc1nnc(-c2ccncc2)s1)C(=O)NCc1ccc(Cl)cc1 473100610 IKCSOVMQNVOWDM-LLVKDONJSA-N 390.921 4.051 0 1 GIAF COc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c2c1 587241002 URSPBTSQASEKKV-UHFFFAOYSA-N 387.439 4.434 0 1 GIAF Nc1c(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)ccc2ccccc12 587254469 QSHXVWKRLGKKIU-UHFFFAOYSA-N 382.217 4.426 0 1 GIAF Cc1cn2c(n1)[C@@]1(CC=C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341510 WZXTXEIVYOXWJB-KNQAVFIVSA-N 376.387 4.165 0 1 GIAF COC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348929 ONQHVSIWEKGLTB-FYYLOGMGSA-N 378.399 4.432 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)([C@H]1CCC[C@@H](C(=O)O)C1)O2 587383245 AASGQYXIODNESO-KKAKJJSRSA-N 397.446 4.468 0 1 GIAF CCOC(=O)[C@@H](Cc1ccccc1C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399138 IHTKDQUNZKRDLF-JPYJTQIMSA-N 381.472 4.032 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H]3CCC[C@H](C1)N3Cc1ccccc1)O2 587401616 ULBWIACJPREDCR-NHKMSHSESA-N 376.500 4.498 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cnn(Cc4ccccc4Cl)c1)[C@@H](C2)C3=O 587420432 PTIZFTIMOXBVEC-HRAATJIYSA-N 380.831 4.082 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Cl)ccc2OC(=O)[C@@H]1C 587459475 DOUBDCBKLJJTQJ-MQJDWESPSA-N 386.831 4.414 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1nnn(Cc3ccccc3)c1C)CC2=O 587475427 LTSOCPIEIIAEHL-QHCPKHFHSA-N 391.471 4.174 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(CN3CCSCC3)o1)CC2=O 587496796 UXVQSWCZXWYJQY-FQEVSTJZSA-N 387.501 4.193 0 1 GIAF CCCc1c(O)ccc2c1O[C@](/C=C1/SCC(=O)N1C)(C(C)(C)C)CC2=O 587497593 XIMQWDMPJHRBML-LAINMTBBSA-N 389.517 4.141 0 1 GIAF COCCn1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587575678 GHQWONRJLUSORN-OFNKIYASSA-N 393.439 4.160 0 1 GIAF Cc1cc(-n2cccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)no1 587580848 ZPEJOCKKEROBRO-KNQAVFIVSA-N 388.379 4.182 0 1 GIAF C/C=C\CC[C@]1(CC(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590612 CTZDCJFCXAGFCF-KQFYNPGKSA-N 382.412 4.012 0 1 GIAF COc1ccc(OC)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594561 OSEKOWZHOQNJGN-NZQKXSOJSA-N 392.407 4.286 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccccc2Cl)N1 587692600 BKYDKRWCGATNSR-XLFHBGCDSA-N 398.659 4.104 0 1 GIAF COc1cc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587720089 RAXJZHQEXNFXRX-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(-n3ccnc3)c2)N1 587757458 VRZNETJROQUMBV-BLVKFPJESA-N 386.268 4.398 0 1 GIAF CCOC(=O)[C@H](CC)[C@@]1(C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962644314 QLLAONCARJSRGY-HWBMXIPRSA-N 392.543 4.238 0 1 GIAF C[C@]1(c2cc3cc(O)ccc3s2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963222593 GVQHFGDGBCUXNW-AVRDEDQJSA-N 390.464 4.018 0 1 GIAF COc1ccc2c(c1)C=C([C@H]1c3cccc(Br)c3CCN1C)CO2 963281680 UUEHBPYEUGTDIF-FQEVSTJZSA-N 386.289 4.463 0 1 GIAF CCOC(=O)c1sc2cc(Oc3ccnc(C(=O)NC)c3)ccc2c1Cl 1772623657 NRRZTDPBZBYSQB-UHFFFAOYSA-N 390.848 4.278 0 1 GIAF CO[C@H]1O[C@@H](OC)C2=C1CC[C@H]1[C@@]2(C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@@]21C 1772631041 GONHLEBMRHPYFF-UPPIPPQWSA-N 378.509 4.366 0 1 GIAF O=C(c1cc(Sc2ccc(O)cc2)c(O)cc1O)N1Cc2ccccc2C1 1857636658 LITBTTMUJIFDBE-UHFFFAOYSA-N 379.437 4.111 0 1 GIAF CCOc1ccc(Nc2cc(NC(=O)/C=C/c3ccc(OC)cc3)ncn2)cc1 1857655518 PWMZIZQVCSZXQG-AWNIVKPZSA-N 390.443 4.279 0 1 GIAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1nnc(N2CC(O)C2)o1 1857746929 WEWHSPHAPCEZFS-UHFFFAOYSA-N 390.468 4.016 0 1 GIAF C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CCCCC3)c1)c1ccccc1O2 4969282 NRQQLPNVSHCTCQ-AUSIDOKSSA-N 391.471 4.082 0 3 GIAF CC(C)N(C)Cc1c(C(=O)N2CCc3ccccc3C2)nc2ccc(Cl)cn12 13636830 BOIGZDBTJZUZMU-UHFFFAOYSA-N 396.922 4.026 0 3 GIAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H]2CCCC[C@H]2O)cc1 775516 KYIKSMQHPQAMTK-IAGOWNOFSA-N 386.492 4.071 0 1 GIAF COc1ccc2nc(SC[C@H](O)c3cccc(Br)c3)[nH]c2c1 6746111 FMKWYBVNJOCZOQ-HNNXBMFYSA-N 379.279 4.160 0 1 GIAF CN(C)[C@H](CNC1CCN(c2cccc(-c3ccco3)c2)CC1)c1ccccn1 23399339 JAMTYIUXNPYPEG-HSZRJFAPSA-N 390.531 4.203 0 1 GIAF Cc1ccccc1[C@@H]1CCc2c(C(=O)N3CCCC3)cc3c(nc(C)n3C)c2O1 34602349 MOCUWIVXQICVQL-NRFANRHFSA-N 389.499 4.492 0 1 GIAF Cc1ccsc1C(=CCCN1C[C@@H](O)C[C@H]1CC(=O)O)c1sccc1C 45349256 LJBQPELFQMHCCO-HOTGVXAUSA-N 391.558 4.158 0 1 GIAF C[C@H]1C(=O)CC[C@@H]2[C@]1(C)[C@H](O)C[C@@H](C)[C@@]2(C)COc1ccc2ccc(=O)oc2c1 48998695 XYUJBOZUFFMPGO-ZWJXAUIJSA-N 398.499 4.200 0 1 GIAF biogenic,in-vitro Cc1csc(Cn2c([C@H]3CCCN(C4CCOCC4)C3)nc3ccccc32)n1 49125299 GYCWXDHHROKGSJ-KRWDZBQOSA-N 396.560 4.208 0 1 GIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccccc1Cl 62224581 CMZIZPHUPWAIAP-KRWDZBQOSA-N 377.868 4.090 0 1 GIAF Cn1nc(COc2ccccc2)c2c1CCN(C(=O)Nc1ccc(Cl)cc1)C2 64565943 RAQSGLWIUKOBQR-UHFFFAOYSA-N 396.878 4.243 0 1 GIAF O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C1=NNC[C@@H]1c1ccccc1 95558807 ZORTXVXZHGPGRT-OAHLLOKOSA-N 382.876 4.145 0 1 GIAF CCN(CC)CCOc1ccc(Nc2nc(C)cc(N3CCCCC3)n2)cc1 95575847 VNNYJZCLVZACQR-UHFFFAOYSA-N 383.540 4.240 0 1 GIAF O=c1cc(C2=CC=C[C@@H]3Sc4ccccc4S[C@@H]23)oc(N2CCOCC2)c1 103044736 IQDUOPZMLAKYOJ-FPOVZHCZSA-N 397.521 4.065 0 1 GIAF Fc1ccc(Oc2cn3c(-c4ccc(OC(F)F)cc4)nnc3cn2)cc1F 103303407 FIPLRRUMZPXECW-UHFFFAOYSA-N 390.296 4.463 0 1 GIAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2)cc1 103545421 SENCCVZEAUOJQX-LCPUNJGISA-N 390.443 4.359 0 1 GIAF COc1ccc([C@H]2[C@H]3CCCCC3=NN2S(=O)(=O)c2ccc(C)cc2)cc1 169296944 PNKFAHYERFQZEN-FPOVZHCZSA-N 384.501 4.295 0 1 GIAF COc1cc(C(=O)N(C)c2ccc(-c3cccnc3)cc2F)cc(OC)c1OC 299823858 BOSTUWJUUIFRJM-UHFFFAOYSA-N 396.418 4.190 0 1 GIAF O=C(O)c1ccccc1/C=C/c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586879778 NMRWKBRDHDMRHQ-AATRIKPKSA-N 383.276 4.481 0 1 GIAF NS(=O)(=O)Cc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 586930992 YOQPYCJXYJSJJE-UHFFFAOYSA-N 395.509 4.170 0 1 GIAF Cc1ccc(-n2cnnc2SCc2nc3cc4c(cc3[nH]2)OCO4)cc1Cl 586967909 IQPVUKTZQCCIIP-UHFFFAOYSA-N 399.863 4.126 0 1 GIAF N[C@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F 587155599 JBADZTCPDOKDBS-QLJPJBMISA-N 380.648 4.459 0 1 GIAF NC1CCC(c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)CC1 587256884 SRZNMUSOEKTFKV-UHFFFAOYSA-N 378.192 4.209 0 1 GIAF N=c1cc[nH]cc1[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330546 BXDCOGGQVCZCDN-FYYLOGMGSA-N 390.414 4.003 0 1 GIAF CCCC(=O)O[C@H](C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348142 MTLHQOOMGOARCH-IIYZAJTGSA-N 386.419 4.381 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(F)c(Br)cc31)O2 587384776 PAOQBINSHXIWHQ-SFHVURJKSA-N 376.225 4.286 0 1 GIAF O=C(O)CC[C@]1(c2ccc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587496975 DCOHLGLBKODERL-OAQYLSRUSA-N 385.847 4.339 0 1 GIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)C(F)(F)F 587621690 HJQRNUMYTXSKIO-UHFFFAOYSA-N 396.113 4.495 0 1 GIAF CN(C)Cc1c(-c2ccc(O)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623125 LWGIMRNBJJBWNW-UHFFFAOYSA-N 385.265 4.241 0 1 GIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccc(C(F)(F)F)cc1 587650498 YGDIHGAFTUWULO-UHFFFAOYSA-N 381.375 4.130 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCNC(=O)C2CCCC2)N1 587757487 VIPZVKUOBBEUTQ-KPZWWZAWSA-N 397.332 4.250 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cccn2)(C(C)(C)C)N1 587762708 ZSGUPLKZPFWGBJ-KPZWWZAWSA-N 380.305 4.261 0 1 GIAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 587934715 FIMRITXZMPLWGJ-OAQYLSRUSA-N 392.480 4.155 0 1 GIAF Cc1ccccc1[C@@]1(c2ccc(Cl)nc2)c2ccsc2CCN1C(N)=O 962713805 PKQHHUIYWVXQTP-FQEVSTJZSA-N 383.904 4.334 0 1 GIAF CCCCNC[C@@]1(c2ccc(O)cc2)NCCc2c(Cl)cc(Cl)cc21 963119686 HEFFDWYKUDBQQZ-FQEVSTJZSA-N 379.331 4.478 0 1 GIAF COc1ccc(-c2nc3cc(NC(=O)c4ccc(O)cc4)ccc3o2)cc1OC 1857640679 GYJUDGZQXXNWPI-UHFFFAOYSA-N 390.395 4.470 0 1 GIAF CN[C@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@]35CC[C@]12C 2356329292 AUNTULGWYMQHON-LRRHHXOYSA-N 388.640 4.332 0 1 GIAF CN(C)CCCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccncc1 4130383 GURJGBCZYNRYAO-UHFFFAOYSA-N 387.940 4.238 0 3 GIAF COc1cc(O)c([C@H](CC(=O)N2CCC[C@@H](C)C2)c2ccccc2)c(OC)c1 198043360 OPRCOTADQGJAND-VQIMIIECSA-N 383.488 4.190 0 3 GIAF O=C(c1ccc(O)cc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(O)cc1 3989369 HJJOEFXQLUXTPC-QHCPKHFHSA-N 384.435 4.367 0 1 GIAF COc1cc2c(Nc3cccc(Br)c3)ncnc2c(OC)c1OC 13745568 DKGDRWNQVLEBEV-UHFFFAOYSA-N 390.237 4.162 0 1 GIAF COc1cc(O)c(C(=O)O)c(CC(=O)CCCCCCCCCCCO)c1 14488259 XCFQOFLKYKQNAR-UHFFFAOYSA-N 380.481 4.104 0 1 GIAF biogenic COc1c2ccoc2c(OC/C=C(\C)C[C@H]2C=C(C)C(=O)O2)c2oc(=O)ccc12 15215405 BSOQPQBWWASEBU-CYIWUNGXSA-N 396.395 4.135 0 1 GIAF COc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)ccc1[S@](C)=O 27107055 IEFYWJDUDQTZGB-HHHXNRCGSA-N 398.509 4.108 0 1 GIAF NC(=O)[C@H]1CCCN(CCCCOc2ccccc2/C=C/c2ccccc2)C1 27729770 MYZHBNIWWIIDNL-FRFYRWIFSA-N 378.516 4.213 0 1 GIAF CC(C)Oc1cccc(NC(=O)c2cc(Cl)c(OCCN)c(Cl)c2)c1 28966930 AYKUIRSGEMLIFT-UHFFFAOYSA-N 383.275 4.370 0 1 GIAF in-vivo CN(C(=O)Nc1c(Cl)cccc1Cl)c1cc(NC2CCOCC2)ncn1 40566747 VDMZMNIGPUDBQS-UHFFFAOYSA-N 396.278 4.043 0 1 GIAF CNC(=O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 45373981 JEHMPPDKIYIZCV-UHFFFAOYSA-N 380.444 4.393 0 1 GIAF O[C@@]1(c2ccc(-c3ccc(Br)cc3)cc2)CN2CCCC[C@H]2CO1 58549789 IFRLXVCJEQULMZ-PMACEKPBSA-N 388.305 4.146 0 1 GIAF in-vitro C[C@]1(O)C[C@@H](c2nc(-c3ccc(Nc4ccccc4)cc3)c3c(N)nccn32)C1 100618715 ZKWCYJYTCHLTAW-PAVFIEEWSA-N 385.471 4.351 0 1 GIAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC(C)C)[C@H]2c1ccncc1 101630631 ZZUGKSTUCOIEGU-QFGUUYLXSA-N 386.477 4.122 0 1 GIAF CCc1cccc([C@H](C)CC)c1NC(=O)C[C@H]1C(=O)Nc2ccccc2[S@]1=O 105490137 KVDDCNDTBYRYTC-DWBTWJTASA-N 398.528 4.220 0 1 GIAF CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(CBr)CC[C@H]3[C@@H](CC(=O)O)C(=O)O[C@]32C1 299873044 CWCXONZIEDNVKI-MQOWNXBPSA-N 399.325 4.010 0 1 GIAF CSc1cccc(N=c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)cs2)c1 473089033 QKVZAZMPALKEMK-UHFFFAOYSA-N 376.528 4.101 0 1 GIAF O=C1O/C(=C\c2nc3c(Br)cnc(Cl)c3[nH]2)c2ccccc21 586906374 LSWVLBGYRWEQOK-YHYXMXQVSA-N 376.597 4.042 0 1 GIAF Cc1c(Br)cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1C 586925067 FGRBIJJNPYJWAI-HJWRWDBZSA-N 391.290 4.387 0 1 GIAF FC(F)(F)Oc1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587039111 CGDXJFFFDITBSW-UKRRQHHQSA-N 379.407 4.408 0 1 GIAF O=C(O)c1cc(F)cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587115980 IADODMSSSBPDQJ-UHFFFAOYSA-N 376.269 4.029 0 1 GIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)cc2N1 587124516 BEPYVINKEJORGT-ANLVUFKYSA-N 391.184 4.436 0 1 GIAF COc1cc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1OC 587167298 LVULUKMGMJQHKA-INIZCTEOSA-N 384.411 4.088 0 1 GIAF CCOC(=O)C(C)(C)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348239 NCZAWPVPSNLPBQ-GCJKJVERSA-N 386.419 4.238 0 1 GIAF CC(C)COC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353314 YRWWRLOISFZVCZ-UNMCSNQZSA-N 386.419 4.238 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnn(-c3ccc(Cl)cn3)c1C)O2 587381003 ZHWDEJRWOSDIRZ-HXUWFJFHSA-N 382.851 4.000 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CC(C)C)([C@H](C)NC(=O)OC(C)(C)C)O2 587391173 SQJZHWGKQOGRAL-QKKBWIMNSA-N 376.497 4.241 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccc(F)cc4)c1C)[C@@H](C2)C3=O 587429750 WUIKFCOEDLWEED-HTAPYJJXSA-N 378.403 4.126 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(-c3ccccn3)c1C)CC2=O 587477930 WFJHJTNHUFUBFQ-JOCHJYFZSA-N 377.444 4.114 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc2ccc(F)cc2[nH]1 587569884 NGSGETDMSDREOM-YLJYHZDGSA-N 376.343 4.111 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1nc(Cl)sc1C2 587616921 HGFGBZFCUYADGU-UZLBHIALSA-N 399.855 4.391 0 1 GIAF COc1ccc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587721447 VUAGMXPXGQCSHW-CQLKUDPESA-N 386.211 4.499 0 1 GIAF CC(=O)[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587732939 OSHOFALHUXKRHQ-MLCYQJTMSA-N 380.232 4.094 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ncc(F)cc23)N1 587735425 UKIKNQUFHJOXPK-ZKANADHPSA-N 378.220 4.227 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CN(C(=O)OC(C)(C)C)C2)N1 587760230 JVJURQNWBGICOQ-HWPZZCPQSA-N 399.304 4.030 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(N3CCCC3)c2)N1 587765595 KIQCPXLXHSXZKI-HXPMCKFVSA-N 390.300 4.207 0 1 GIAF CCn1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C2CC2)n1 587765811 UIGUFWVNGDHMTE-XTZNXHDOSA-N 378.289 4.306 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C3CCCC3)CC2)N1 587767761 KPCCROJKFUYTJK-ZDUSSCGKSA-N 381.333 4.356 0 1 GIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(F)c(Br)cc3[nH]2)cc1 587786940 TYGFIXHOSNPWBO-RYUDHWBXSA-N 389.224 4.408 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(Cl)ccc1O 587868413 MULJCYPZRKASMZ-UHFFFAOYSA-N 397.740 4.020 0 1 GIAF COc1ccc(/C=C/Cc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(OC)c1 587928432 CJLZPQMDJCLUAO-ONEGZZNKSA-N 398.772 4.250 0 1 GIAF Nc1nccn2c(-c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)cnc12 653689033 PQJNYJWXQATSFY-UHFFFAOYSA-N 397.360 4.250 0 1 GIAF CC[C@@H](Cc1ccc(C(=O)NCc2ccc(F)cc2C(F)(F)F)cc1)C(=O)O 653805887 YXMOEHIXSLPFBY-ZDUSSCGKSA-N 397.368 4.428 0 1 GIAF O=C(O)CCC[C@@]1(c2cccnc2)c2ccsc2CCN1Cc1ccco1 962709499 NXMVNKVUCBNJQL-OAQYLSRUSA-N 382.485 4.293 0 1 GIAF O=C(O)CCCCC[C@]1(C2CCC2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962760594 GIIFNAVEMDIGBJ-YLJYHZDGSA-N 397.437 4.363 0 1 GIAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccccc1NC(=O)CCC(=O)O 963224937 FBEWGCHEYNCTPO-MZNJEOGPSA-N 394.515 4.410 0 1 GIAF CN1CCC(Nc2nc(Nc3ccc(Cl)c(F)c3)nc3cccnc23)CC1 1772586070 MONKUYILQUZSDE-UHFFFAOYSA-N 386.862 4.067 0 1 GIAF Cc1ccc2nc3n(c(=O)c2c1)-c1ccc(Cl)cc1C(=O)N[C@@H]3CC(C)C 61949359 GIJZJNACWSLJCX-QGZVFWFLSA-N 381.863 4.178 0 3 GIAF CC(C)[C@@H]1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC(F)(F)F 14967383 CGFLPDMQXSKQDH-ZDUSSCGKSA-N 394.315 4.333 0 1 GIAF COc1cc(NCCCCCCN2C[C@H](C)N[C@H](C)C2)c2nccc(C)c2c1 29567862 WPPLOZHBWCFVOJ-KDURUIRLSA-N 384.568 4.206 0 1 GIAF CC(C)[C@]1(C(=O)N2CCC(c3ccccc3)CC2)CC[C@@H](NC2CCOCC2)C1 35943113 QPEPWXAREJQKIR-NOZRDPDXSA-N 398.591 4.356 0 1 GIAF COc1ccc(CNC(=O)[C@@H]2CCC[C@H]2C2=NO[C@](C)(c3ccccc3)C2)cc1 45258619 BQYYFPTWPHHXOO-LGVFNWMJSA-N 392.499 4.419 0 1 GIAF Nc1ncnn2c(C3CCC3)nc(-c3ccc(C(=O)c4ccccc4)c(F)c3)c12 96168310 CXSONKCTYLPHPM-UHFFFAOYSA-N 387.418 4.011 0 1 GIAF O=C(c1ccn(-c2ccc(O)c(F)c2)c1)c1ccc(Br)cc1F 169311953 BLPVXHXQPWXBHR-UHFFFAOYSA-N 378.172 4.455 0 1 GIAF CN1C(=O)CCc2c(NC(=O)N[C@H]3CC[C@@H](c4ccccc4F)C3)cccc21 169704961 HCZOAGMQIGHSPQ-CABCVRRESA-N 381.451 4.193 0 1 GIAF CCN1C/C(=C\c2ccc(F)cc2)C2=NC(=S)N[C@H](c3ccc(F)cc3)[C@@H]2C1 169730313 VZTXFHPADOIFMO-BHTVOWMNSA-N 397.494 4.370 0 1 GIAF CN(c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccc(F)cc2o1)C1CC1 205440612 DBJBGGXNRSDTNA-UHFFFAOYSA-N 377.375 4.479 0 1 GIAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(F)c1 473172599 YLCVEKOPISEJPY-UHFFFAOYSA-N 398.777 4.433 0 1 GIAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 586913389 YUFCGOOELYODHR-ZCFIWIBFSA-N 393.159 4.033 0 1 GIAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(F)cc(F)cc2[nH]1 586999464 BJOXYAKIRCQPMZ-UHFFFAOYSA-N 393.143 4.083 0 1 GIAF N=c1[nH]c(-c2cccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2)cs1 587022010 SNMGVGSUOWIKFD-UHFFFAOYSA-N 390.241 4.063 0 1 GIAF COc1ccc2nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c2n1 587144907 QUNPLZNZZNWKSX-UHFFFAOYSA-N 377.375 4.012 0 1 GIAF CC(C)(C)OC(=O)N(Cc1nc2ccc(C(F)(F)F)cc2[nH]1)C[C@H]1CCCO1 587196750 BJCVLOYBEOIPTG-CYBMUJFWSA-N 399.413 4.498 0 1 GIAF O=N[C@@H]1Cc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587338324 PPSNERMHMNLBJZ-FUPPJEDESA-N 389.382 4.477 0 1 GIAF CCn1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 587344710 XYKBYJGZRYTLBK-IRLDBZIGSA-N 380.419 4.330 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCCCN(C(=O)OC(C)(C)C)C1)CC2=O 587474638 JCGQCDPHQLKOFD-JOCHJYFZSA-N 389.492 4.470 0 1 GIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)n1 587552237 OZOXAPUYLXDRGN-FXAWDEMLSA-N 383.787 4.152 0 1 GIAF Cn1ncc2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587581749 MGKOHSHGCHXWLN-REWPJTCUSA-N 386.407 4.156 0 1 GIAF CCc1oc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)OC 587617463 PSZULJHKIFZURE-RXVVDRJESA-N 394.379 4.037 0 1 GIAF COc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)nn1C 587760576 YXWSLCCIKMWBRR-BMLIUANNSA-N 396.304 4.077 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@@H]2C1(C)C 587817556 MGADWBINPZIUPX-RBYKRNSRSA-N 380.301 4.343 0 1 GIAF C[C@@H]1CCC[C@]2(C1=O)c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961773061 CYLATDQNPMKMSK-IQMFZBJNSA-N 384.520 4.422 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CNC(C)C)(c2cccc(OC)c2)N1 962963758 ZTWHJKBHCCGXPZ-HOYKHHGWSA-N 377.532 4.342 0 1 GIAF Cc1ccnc2c1CCN[C@@]2(c1cccc(F)c1)c1cccc(CN2CCC2)c1 963069456 MTUSIECXCRRGNO-RUZDIDTESA-N 387.502 4.172 0 1 GIAF COc1ccc([C@]2(c3nccs3)NCCc3c(Cl)cc(Cl)cc32)cn1 963101282 ACZUDGBUNMGGGM-SFHVURJKSA-N 392.311 4.291 0 1 GIAF C[C@H]1c2ccccc2N(C[C@H]2CCCCO2)C[C@@H](C)N1C(=O)Nc1cccnc1 1772621089 OUIXCBSYDNQJPG-WSTZPKSXSA-N 394.519 4.454 0 1 GIAF COc1ccc(N(C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1OC 1857754552 VSYZSIMFYNNVAK-UHFFFAOYSA-N 383.444 4.173 0 1 GIAF CC1=CCC(C)(C)C=CC[C@]2(C)Oc3cc(O)c(=O)cc(C)c3C[C@@H]2C[C@H]1O 2356379377 REJAHZFROGUZPE-YJLYGGOZSA-N 384.516 4.444 0 1 GIAF COc1ccc(CC2(CO)CCN(C/C=C/c3ccccc3OC)CC2)cc1 11873617 CYEBOUSSSWEXHJ-FNORWQNLSA-N 381.516 4.034 0 3 GIAF Cc1c(Br)c(NC(=O)C(F)(F)F)nn1Cc1ccc(Cl)cc1 4018775 WCMBOLRMXPIGBC-UHFFFAOYSA-N 396.594 4.157 0 1 GIAF CCN(C(=O)Cn1cccc1C1=N[C@@H](c2ccccc2)CO1)c1cccc(C)c1 4970901 DQDNYRXVVUKQQH-OAQYLSRUSA-N 387.483 4.368 0 1 GIAF CCN1CC[C@@H](CN(C)Cc2c[nH]nc2-c2ccc3cc(OC)ccc3c2)C1 11663635 XIPCNGNRUZFWBI-KRWDZBQOSA-N 378.520 4.012 0 1 GIAF O=c1[nH]c(CCCN2CC=C(c3ccccc3)CC2)nc2cc(Cl)ccc12 13581547 LDRFPEHHPVCPGU-UHFFFAOYSA-N 379.891 4.298 0 1 GIAF COC(=O)C[C@@H]1c2ccccc2[C@H](Cc2ccc(OC)cc2)[C@H](C)N1C(=O)OC 13817734 LPMQDEGGQDLASL-IWMITWMQSA-N 397.471 4.096 0 1 GIAF C=C(c1cc(N(CCC)CC2CC2)nc(C)n1)c1c(OC)cc(OC)cc1OC 28366023 GVKJSDOTRLMNCF-UHFFFAOYSA-N 397.519 4.499 0 1 GIAF CC(=O)Nc1ccc(SCCCN2CCN(c3ccc(F)cc3)CC2)cc1 28886787 VKXQLGCSQISDNV-UHFFFAOYSA-N 387.524 4.089 0 1 GIAF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C(=O)CBr)[C@@H]1CCC2=O 29468520 AGHFYYSPGSRXOM-RQOBALISSA-N 393.321 4.032 0 1 GIAF O=C1OCC2=C1[C@@H](c1cc(Cl)cc(Cl)c1)c1cc3c(cc1O2)OCO3 40404755 OJGVMWPMWZAEEV-INIZCTEOSA-N 377.179 4.057 0 1 GIAF CCN(CC)CCOc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1 40877590 LZKMZSOFBXFMJZ-UHFFFAOYSA-N 387.487 4.179 0 1 GIAF Cc1cc(NCCC(=O)Nc2ccccc2)nc(NCc2ccccc2C)n1 45228413 RTSCKCMTCBABBW-UHFFFAOYSA-N 375.476 4.146 0 1 GIAF CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2)c(-c2ccccc2F)n1 82152861 SXMFAASQALSHPW-OAHLLOKOSA-N 378.451 4.423 0 1 GIAF CCSc1cc(-n2cc(C)c3c2CC(C)(C)CC3=O)cc2nc(N)nc(N)c12 84619262 WPLHMVSRQSBZGM-UHFFFAOYSA-N 395.532 4.160 0 1 GIAF CC(C)CN(Cc1ccc2c(c1)C=CC(C)(C)O2)S(=O)(=O)c1nccs1 95556739 UNYRZPMXPQOISN-UHFFFAOYSA-N 392.546 4.174 0 1 GIAF Cn1ccc2c(C(=O)N3CCC[C@H](c4nc(-c5ccccc5)no4)C3)cccc21 95589918 HIEZTOYPERDXQV-KRWDZBQOSA-N 386.455 4.248 0 1 GIAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 101003514 AOAZPUWLTLFVEI-RRGXMBOYSA-N 375.268 4.036 0 1 GIAF COc1ccccc1N1CCN(Cc2cn(-c3ccccn3)c3ccccc23)CC1 103265607 HTIRPQWYEXSGRF-UHFFFAOYSA-N 398.510 4.356 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc1 586950560 IWEQWDSEMQRYDQ-UHFFFAOYSA-N 387.408 4.213 0 1 GIAF COC(=O)c1ccnc2nc(-c3ccc(CSc4nc(C)cs4)cc3)[nH]c12 587022041 SZMRMQZFIGWQTP-UHFFFAOYSA-N 396.497 4.469 0 1 GIAF C[C@H]1CCc2sc(-c3nc4ncc(I)cc4[nH]3)cc2C1 587034363 TULYNPCXCFJDLG-QMMMGPOBSA-N 395.269 4.416 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587043968 WIYIAUNSFOVCBI-GOSISDBHSA-N 393.512 4.414 0 1 GIAF O=C1COc2cc3nc(-c4ccncc4-c4ccc(Cl)cc4)[nH]c3cc2N1 587077119 RESWHGQNUGQWAY-UHFFFAOYSA-N 376.803 4.276 0 1 GIAF COC(=O)c1cc(Br)c2nc(-c3ccc(OC(F)F)cc3)[nH]c2c1 587131092 XFVGNKYVVMUYID-UHFFFAOYSA-N 397.175 4.380 0 1 GIAF Nc1ccc(-c2ccc3[nH]c(-c4ccc(F)c(Br)n4)nc3c2)cc1N 587154911 GEYXAUAXURVAMK-UHFFFAOYSA-N 398.239 4.358 0 1 GIAF COc1cccc(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587335882 ILAFPCCOHOSELH-JTHBVZDNSA-N 393.414 4.295 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1N1C[C@H](C)O[C@H](C)C1)O2 587384892 KNOZOXPHTZCYNC-HKZYLEAXSA-N 384.451 4.036 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc3sc(C(=O)O)c(C)c3c1)O2 587413710 IVPLNDGXRCFCIU-HXUWFJFHSA-N 382.441 4.074 0 1 GIAF CCC[C@@]1(C2(c3ccccc3)CCNCC2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438283 DWMHZUUAPNMQPI-CJFMBICVSA-N 391.511 4.303 0 1 GIAF C[C@@H](Oc1ccc2c(c1)OCO2)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587534726 FTXAMIIASDGWDG-FATZIPQQSA-N 380.440 4.486 0 1 GIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1Cl 587548518 WWKHTJRDJKRCFG-KKSFZXQISA-N 398.798 4.463 0 1 GIAF CC(C)[C@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587576934 IXGSWPQTULYQNV-NFBKMPQASA-N 375.424 4.488 0 1 GIAF C[C@H](CCCCC(=O)O)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605104 XHSZKTGMSWFYSM-YFYZNPQRSA-N 384.428 4.394 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2ccccn2)N1 587769878 GXPOCQYMCRNIBX-ZUOKHONESA-N 398.279 4.204 0 1 GIAF C[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2CCCC[C@H]2N1 587795825 OSXVZFZVRIEHBG-YLISSFKMSA-N 381.333 4.258 0 1 GIAF COC(=O)c1ccsc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587847354 WOIHHPPNSJQMFF-XLKFXECMSA-N 384.270 4.060 0 1 GIAF N[C@H]1CCC[C@@H](C(=O)Nc2ccc3[nH][nH]c(=Nc4cccc5ccccc45)c3c2)C1 1857633528 WKHKPYJZGLRMEQ-SJORKVTESA-N 399.498 4.338 0 1 GIAF Cn1nccc1CSc1nc(N)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 1857746102 OPNJURBPZLSDPR-NSHDSACASA-N 387.578 4.450 0 1 GIAF O=c1cc(CSc2nccc(O)n2)c2ccc(OCc3ccccc3)cc2o1 1857763412 CSOSDZYRACJEDF-UHFFFAOYSA-N 392.436 4.160 0 1 GIAF CC1(C)OC[C@]2(C[C@@]34C[C@H]2CC[C@@H]3[C@]2(C)CCCC(C)(C)[C@@H]2C(=O)[C@@H]4O)O1 2356655548 GPDYNSLXYAITQJ-WBSCELHOSA-N 376.537 4.091 0 1 GIAF C[C@@H](CC(=O)O)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356855072 QYYDXDSPYPOWRO-QLKDUZBNSA-N 378.553 4.088 0 1 GIAF CCCCN(C)c1c(C)nc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cn12 61907568 AIXQDNMVTMZRME-UHFFFAOYSA-N 396.491 4.149 0 3 GIAF O=C(NC[C@H]1Cc2cccc(-c3ccncc3)c2O1)c1csc2c1CCCC2 11786371 AIGURZIJMUKKHV-QGZVFWFLSA-N 390.508 4.422 0 1 GIAF Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc(C(=O)O)c2)c1F 13473986 JEIYIHYIBHWWHQ-UHFFFAOYSA-N 399.353 4.235 0 1 GIAF COC(=O)c1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1 13680210 AYOOROAHMSHPEO-UHFFFAOYSA-N 377.400 4.091 0 1 GIAF COc1ccc(F)c(CN2CCc3ccc(NC(=O)c4ccncc4)cc3C2)c1 14958143 AZXPFMGTZAMCKK-UHFFFAOYSA-N 391.446 4.040 0 1 GIAF CC(C)(O)c1cc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)s1 26265672 IGXSVIOSPDMLNH-UHFFFAOYSA-N 391.489 4.096 0 1 GIAF COc1ccc([C@@H]2NC(S)=NC(c3ccc(Cl)cc3)=C2CC(=O)O)cc1 29409305 ZTWQYPFGIUCXRJ-SFHVURJKSA-N 388.876 4.165 0 1 GIAF O=c1[nH]c2c(O)ccc([C@@H](O)CN[C@H]3CCCC[C@H]3C3CCCCC3)c2s1 62224936 XEDUTQMPNJLZKT-ZVZYQTTQSA-N 390.549 4.057 0 1 GIAF Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)N[C@@H](C)C(C)(C)C)cn1 71296093 PYUKVRINYBQHCX-AWEZNQCLSA-N 397.494 4.253 0 1 GIAF CNc1ccc(/C=C/c2nc3ccc(I)cc3[nH]2)cc1 96270540 UACJAEPUZXTOBN-RUDMXATFSA-N 375.213 4.380 0 1 GIAF Cc1ccc(C(=O)Nc2cccc(N3C(=O)[C@H]4CC[C@H](C)C[C@@H]4C3=O)c2)cc1 101700255 HMQHUXKCAGDWOY-YSSFQJQWSA-N 376.456 4.173 0 1 GIAF CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2cccc(Cl)c21 144211529 FLYXTTPNIGWWKY-LLVKDONJSA-N 398.315 4.403 0 1 GIAF O=C1O[C@](C(=O)O)(c2ccccc2)CC(O)=C1Sc1ccccc1Cl 299827368 GHIOCSLPMYRTKB-SFHVURJKSA-N 376.817 4.129 0 1 GIAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 299848082 PCUQHNTZXLPGNX-MJCUUPPCSA-N 381.564 4.433 0 1 GIAF COCCO[C@H]1CC[C@H](Nc2cc(O)nc3ccc(-c4cncs4)cc23)CC1 299851626 HJCHDZGEJHNQGD-WKILWMFISA-N 399.516 4.450 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 586951123 UOOHGIYIUMRKQP-UHFFFAOYSA-N 389.786 4.274 0 1 GIAF Cc1nc(COc2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cs1 587020285 LMCWUMQQCRXJQI-UHFFFAOYSA-N 391.378 4.334 0 1 GIAF CN1CCN(c2ccc3nc(-c4cnc(Cc5ccccc5)s4)[nH]c3c2)CC1 587021287 HNMYJDZLWAEEHN-UHFFFAOYSA-N 389.528 4.029 0 1 GIAF Fc1cccc([C@H]2C[C@@H]2c2nc3cc(I)cnc3[nH]2)c1F 587150687 DPAZHRXVVPLMFO-ZJUUUORDSA-N 397.166 4.112 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c12 587160500 CVQPWLMPKNYSEG-NWDGAFQWSA-N 375.197 4.434 0 1 GIAF CC(=O)Nc1cccc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587242776 RIHTXJGCVJFZTA-UHFFFAOYSA-N 384.308 4.161 0 1 GIAF COC(=O)Nc1ccc(-c2nc3cc(I)ccc3[nH]2)cc1 587244221 YMAYDHWSOOEUPY-UHFFFAOYSA-N 393.184 4.013 0 1 GIAF COC(=O)[C@@H](C)[C@]1(Cc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522802 HTROTWADSVZFPK-GYCJOSAFSA-N 378.468 4.321 0 1 GIAF CC(=O)c1[nH]c(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587586138 BNRBFWWRSLNLJF-XXBNENTESA-N 391.423 4.417 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccc(O)c2n1 587587637 PDDHQPFALWVENO-CVDCTZTESA-N 385.375 4.349 0 1 GIAF Nc1cc(-c2ccc(F)cc2)sc1C(=O)n1ncc2ccc(Cl)cc2c1=O 587651808 OZJLYHJFNNEZBW-UHFFFAOYSA-N 399.834 4.188 0 1 GIAF COc1ccc(F)c(F)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587721971 XGVVONWLTJZRQU-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF CC(=O)Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587810298 KKDLYJKRJKFZPP-MGNBDDOMSA-N 378.241 4.137 0 1 GIAF COc1ccc([C@H](O)[C@@H](C)c2nc3c(Br)cnc(Cl)c3[nH]2)cc1 587934712 FGVYJXKPQKLKEM-XLKFXECMSA-N 396.672 4.220 0 1 GIAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc(C(N)=O)c(F)c2)n1 653765614 RTJXIUDIUBHHCW-LJQANCHMSA-N 376.435 4.180 0 1 GIAF CSc1ccc(NC(=O)Nc2ccc3c(c2)/C(=C/c2cnc[nH]2)C(=O)N3)cc1 653766948 MPZNJTYXDGONSJ-MFOYZWKCSA-N 391.456 4.268 0 1 GIAF O=C(Nc1ncnc2[nH]cnc12)c1ccc(-c2ccc(-n3cccc3)cc2)cc1 653782708 BTBUABNCZAREDB-UHFFFAOYSA-N 380.411 4.063 0 1 GIAF CC(C)NC(=O)[C@]1(C)C[C@H]1[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 914431230 ONJDWAYKGBYQHM-SXWKCWPCSA-N 380.488 4.205 0 1 GIAF COC[C@@]1(c2cccc(Cl)c2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962634768 LLZCXCQNUPDJBZ-SPLOXXLWSA-N 375.896 4.124 0 1 GIAF COc1ccc(NC(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)cc1O 1772605003 RLWUDUOJPKNJCZ-UHFFFAOYSA-N 399.410 4.073 0 1 GIAF CC1(C)CCC[C@]2(C)[C@@H]3C(=C[C@H](OC(=O)C=Cc4ccccc4)[C@H]12)CO[C@H]3O 2356623673 JVIVBUUWKBUORJ-KIPYVPQSSA-N 382.500 4.349 0 1 GIAF COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccncc2)cc1 644201 LDFWEYVSIXIDAD-UHFFFAOYSA-N 381.819 4.248 0 1 GIAF COc1cc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)ccc1OC(C)=O 728544 XLXGKRFHMPAUSZ-YBFXNURJSA-N 387.391 4.118 0 1 GIAF NCCc1c[nH]c(CC[C@@H](c2ccccc2)c2ccc(Br)cc2)n1 13531778 YDUBNWZTTFIXEZ-IBGZPJMESA-N 384.321 4.438 0 1 GIAF Cc1ccc(Oc2c(-c3ccc(S(C)(=O)=O)cc3)oc(C)cc2=O)c(F)c1 13581229 JAIOAMPOGJIYQK-UHFFFAOYSA-N 388.416 4.259 0 1 GIAF CC(=O)O[C@@H]1CC/C(=C\CO)CO[C@@]1(C)CCC[C@@H](C)C(=O)CC=C(C)C 27893525 BFHONWNIOCFNCX-GYOGCVQMSA-N 380.525 4.138 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(C(C)=O)cc3)cc2)C[C@@H]2CC[C@H]1N2C 29477589 QOGDDOWLBRAWFT-AFXVXQJMSA-N 377.484 4.296 0 1 GIAF O=C1OC2(CCN(C(=O)Nc3cc(-c4ccccc4)no3)CC2)c2ccccc21 34023069 OCGLBXLPRIRABM-UHFFFAOYSA-N 389.411 4.035 0 1 GIAF O=C(Nc1ccc2c(c1)CCC2)c1ccc(N2CCN(c3ccncc3)CC2)cc1 45202987 RSCOWTLSWIKZGI-UHFFFAOYSA-N 398.510 4.149 0 1 GIAF COC(=O)c1cnc(C(=O)[C@@H]2CCc3cc(Oc4ccccc4)ccc3C2)o1 71316272 XRAQVGGXXBBGQA-MRXNPFEDSA-N 377.396 4.241 0 1 GIAF Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(CCC(N)=O)cc23)cc1 72122050 YYYLFAJLJPTXBM-UHFFFAOYSA-N 375.516 4.285 0 1 GIAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(Cl)cc3F)CC2)c1 95568279 CZNUZVKHYUDDIM-UHFFFAOYSA-N 378.904 4.010 0 1 GIAF CCOC(=O)/C(=C/Nc1ccc(Br)cc1)c1ccc(OC)cc1 101442313 DTIBZPWWKCUGSD-SFQUDFHCSA-N 376.250 4.474 0 1 GIAF COc1cccc(-c2cccc3cc(C(=O)N[C@H]4CN5CCC4CC5)sc23)c1 118274823 QIJLNJPDMZXWEP-FQEVSTJZSA-N 392.524 4.401 0 1 GIAF CN(C)Cc1ccc([C@@H]2Nc3cccc4c(=O)[nH]nc(c34)[C@@H]2c2ccccc2)cc1 118621869 JIVGZFFEZKZOGK-GGAORHGYSA-N 396.494 4.283 0 1 GIAF Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(CNC(=O)C2CC2)cc1 141416706 CFDSAWMXTQIVHX-UHFFFAOYSA-N 391.496 4.276 0 1 GIAF Fc1ccc(-c2cc(NCCNc3cc(-c4ccc(F)cc4)[nH]n3)n[nH]2)cc1 147046305 FZKYEXRLGOSPIV-UHFFFAOYSA-N 380.402 4.269 0 1 GIAF in-vivo CC(=O)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CCC(=O)O 147531702 RIVZOOCBMWTULA-AJSBUHFISA-N 386.488 4.308 0 1 GIAF O[C@H](CNc1cccc(-c2cccc3[nH]cnc23)c1)CN1CCc2ccccc2C1 219749973 APHASUFVZNWOIN-JOCHJYFZSA-N 398.510 4.061 0 1 GIAF Cc1cc([C@H]2C[C@H]3CSC(N)=N[C@@]3(c3ccc(F)cc3F)CO2)ccc1F 221064364 LJHXFHVTFPOYGI-VIZZQPHQSA-N 392.446 4.447 0 1 GIAF COc1ccc2c(C)c(CCc3nc4c(Cl)ccnc4[nH]3)c(=O)oc2c1C 586918788 USLMQOSECYVEDO-UHFFFAOYSA-N 383.835 4.128 0 1 GIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 586930646 NTFNPEULTUCBHI-UHFFFAOYSA-N 397.422 4.279 0 1 GIAF NC(=S)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586993410 HOAOVUSRXLDSRX-UHFFFAOYSA-N 397.459 4.474 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052907 SLKJABXJCDVXSL-UHFFFAOYSA-N 385.876 4.468 0 1 GIAF CCS(=O)(=O)c1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2c1 587067923 UYWGSYJUDJOZEI-GFCCVEGCSA-N 378.881 4.458 0 1 GIAF Cc1nc(N(C)C)ncc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587194293 BZTBUNMRSLJICC-UHFFFAOYSA-N 389.303 4.432 0 1 GIAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(C(=N)N)cc3[nH]2)c1 587195904 NXCCAOZQRYCBRO-UHFFFAOYSA-N 379.464 4.194 0 1 GIAF CCOC(=O)c1[nH]c2c(c1Br)CCc1c-2nc2cccc3c2c1CC3 587209578 RUOVZBHOQCGWOX-UHFFFAOYSA-N 397.272 4.366 0 1 GIAF CS(=O)(=O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587241756 ABCZUOTYBRWOHL-UHFFFAOYSA-N 379.441 4.083 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1nc3ccccc3[nH]1)(C1CC1)O2 587410434 SYQNAORGOFKXPJ-NRFANRHFSA-N 379.485 4.360 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCC(N(C)CC(F)(F)F)CC1)CC2=O 587462546 QZEMSSUZIXDFGM-UHFFFAOYSA-N 385.426 4.485 0 1 GIAF CCO/C=C(\C(=O)OCC)[C@@]1(C(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587505327 KHHXOHHQBYQPIG-CZIOWHBQSA-N 394.414 4.018 0 1 GIAF C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587652189 NYMWJSIFXAIKKO-CYBMUJFWSA-N 384.863 4.455 0 1 GIAF CCOc1ccccc1OCc1nc2c(Br)cnc(Cl)c2[nH]1 587779875 HYIYWJMPZQANSA-UHFFFAOYSA-N 382.645 4.352 0 1 GIAF CCOC(=O)C1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CCC1 587798983 QQFBQHIIYUKSKA-DIFFPNOSSA-N 384.289 4.071 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)OCCO3)N1 587833043 DZIUEFJUQFJSAX-WLRWDXFRSA-N 392.268 4.157 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(Cl)c(CO)n1 587865009 OHTCPRNEPPISRV-UHFFFAOYSA-N 397.784 4.498 0 1 GIAF Cc1ccc(C)c(-c2csc([C@@H]3NCCc4ccc(C(=O)N(C)C)cc43)n2)c1 962920104 CUOICHMPZBBNMB-OAQYLSRUSA-N 391.540 4.364 0 1 GIAF Cc1c(O)ccc2c1[C@](Cc1cccc(Cl)c1)(CC(C)C)N[C@H](C(=O)O)C2 963556328 WNEOZSGMJMDRAV-PGRDOPGGSA-N 387.907 4.437 0 1 GIAF O=C(Nc1ccc2c[nH]nc2c1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 1772597712 FXRHQAHAADVNOW-UHFFFAOYSA-N 393.410 4.235 0 1 GIAF NC(=O)c1ccc(Nc2nccc(-c3ccc(Oc4ccccc4N)cc3)n2)cc1 1772616228 FJSUXVFRKZCJFF-UHFFFAOYSA-N 397.438 4.361 0 1 GIAF CC(=O)OCC=C(CO)CC[C@]1(C)[C@H](C(=O)O)CC[C@@]2(C)C(C)=CCC[C@H]12 2356613444 MCVZTTJDKABTGZ-BLKABHOGSA-N 378.509 4.112 0 1 GIAF Cc1csc2nc(Cc3ccc(C(=O)c4cccc(NO)c4)cc3)oc(=O)c12 1903930 OEXJFMWYXUWJJO-UHFFFAOYSA-N 392.436 4.181 0 1 GIAF C[C@H]1C[C@H](C)CN(C(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)C1 4575099 DRZGUUGRIZWCOB-XQJJYNOISA-N 378.778 4.015 0 1 GIAF COc1ccc(C2=CCN(CCCc3nc(O)c4ccccc4n3)CC2)cc1 13581595 POBSLTTZCFWOHP-UHFFFAOYSA-N 375.472 4.066 0 1 GIAF COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OC 13863447 ACCZCVFKTVIVJV-RBUKOAKNSA-N 376.456 4.033 0 1 GIAF CCNC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl 27412914 GOUHZXDMRIVIFY-UHFFFAOYSA-N 376.247 4.448 0 1 GIAF O=C(NC1CCCCC1)c1nc[nH]c1C(=O)Nc1ccc(Cl)c(Cl)c1 28527159 JPFZVHBXIYXFMJ-UHFFFAOYSA-N 381.263 4.031 0 1 GIAF C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(Br)cc4)cc3c21 28902152 BDJGBNKCTHVCSF-SNVBAGLBSA-N 398.260 4.030 0 1 GIAF c1ccc(Cc2c[nH]c3ncnc(N4CC5(CCNCC5)c5ccccc54)c23)cc1 29047366 OVOMREJCQLCUHL-UHFFFAOYSA-N 395.510 4.322 0 1 GIAF CCCCc1ccc(Cn2cnc3c(N(C)C)nc(C(F)(F)F)nc32)cc1 29414464 HYEUUXHNQIICPN-UHFFFAOYSA-N 377.414 4.302 0 1 GIAF O=c1cc(Cc2c(F)cccc2F)nc(SCc2c(F)cccc2F)[nH]1 40918514 MSLJMLVPRUPDRN-UHFFFAOYSA-N 380.366 4.209 0 1 GIAF O=C(Cc1ccccc1)NC1CCN(Cc2ccc3cc(F)ccc3c2)CC1 43024396 UXWIDVSISZLIAE-UHFFFAOYSA-N 376.475 4.302 0 1 GIAF COc1cc(CNc2cc(-c3cc(Cl)ccc3OC)ncn2)cc(OC)c1 82161041 LWQQHACQGNPXFO-UHFFFAOYSA-N 385.851 4.435 0 1 GIAF Cc1ccc(NC(=O)NS(=O)(=O)[C@@H]2CCCCCCCCCCC2=O)cc1 103170093 LEXMBTMAYDZPST-LJQANCHMSA-N 394.537 4.299 0 1 GIAF CCOC(=O)C1=C(C)OC(C)(C)[C@H]2COc3ccc4c(=O)c(C)c(C)oc4c3[C@@H]12 169330937 DQISHGPZESFRRN-MAUKXSAKSA-N 398.455 4.148 0 1 GIAF N[C@@H](N=O)c1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586976036 BLEJCTYGYDXSEO-HNNXBMFYSA-N 395.644 4.282 0 1 GIAF CCc1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2c1 587125841 UGWLMOTYIMENRS-UHFFFAOYSA-N 383.395 4.362 0 1 GIAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587159025 LCVZQYYWDOGVHC-UHFFFAOYSA-N 398.323 4.468 0 1 GIAF CN(C)c1ncccc1-c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 587195126 BROMNQYFXXIKOU-UHFFFAOYSA-N 385.187 4.472 0 1 GIAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)C1CCCC1 587227531 ZFCYMNXWDOXLFU-AWEZNQCLSA-N 377.416 4.156 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(OCCF)c1 587556905 PLIWUTDOFKEAJK-KNQAVFIVSA-N 380.371 4.443 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cn2cccn2)cc1 587580095 HDHHQZYVRJXKQN-QPPBQGQZSA-N 398.418 4.340 0 1 GIAF COc1cccc(OC)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590552 CNVMRFQAYAILBH-NFBKMPQASA-N 392.407 4.286 0 1 GIAF CC(C)[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587704698 JLNOWNKIQYZDSQ-PSLIRLAXSA-N 396.222 4.495 0 1 GIAF COc1cc(OC)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587809102 POVAKPRFLALCRB-MLCYQJTMSA-N 380.257 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3oc(=O)ccc3c2)N1 587840612 ZZMLCBUNCQMONA-GIGQVBGESA-N 388.236 4.318 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2scc3c2OCCO3)N1 587851722 IWQFEYIGUPIMBE-HUTHGQBESA-N 398.297 4.219 0 1 GIAF COc1cccc(C(=O)c2ccc(-c3nc4c(OC)cc(OC)cc4[nH]3)cc2)c1 587930426 BPSGDUVNWFPBCZ-UHFFFAOYSA-N 388.423 4.487 0 1 GIAF O=C(Nc1ccc(N2CCN(c3ccccc3)CC2)cc1)c1n[nH]c2ccccc12 653713184 VPUACKRSEADAFY-UHFFFAOYSA-N 397.482 4.142 0 1 GIAF O=C1CC[C@@]2(NCCc3cccc(-c4ccccc4)c32)c2cccc3c2N1CC3 962664833 HTADYSZPSQGTCE-AREMUKBSSA-N 380.491 4.426 0 1 GIAF CCCCN1C(=O)[C@@H]([C@]2(C)NCCc3c2sc(C)c3C)C(=O)c2ccccc21 963007269 HTQDYLULHXSRTE-CVDCTZTESA-N 396.556 4.372 0 1 GIAF O=C(O)c1cccc2c1CCN[C@@]21C[C@@H](c2ccccc2)Oc2ccc(O)cc21 963120217 FIBWAPRMBFFLDM-UPVQGACJSA-N 387.435 4.004 0 1 GIAF CC[C@]1(c2ccccc2N)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963184078 PXJBVDTYFGVTIU-FUHWJXTLSA-N 398.812 4.194 0 1 GIAF COc1ccc(C(/C=C/CN2CCC[C@@H](C(=O)O)C2)c2ccc(OC)cc2)cc1 1857770697 DFFBTJCCAWNPCR-PEAOBZDDSA-N 395.499 4.189 0 1 GIAF CC1(C)C=Cc2c(ccc3[nH]cc(CCn4c(O)nc5ccccc5c4=O)c23)O1 2356601198 NMWOOVXJOYZHJD-UHFFFAOYSA-N 387.439 4.010 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356810706 BASPEALOGWANGT-XRRIKHNKSA-N 392.580 4.478 0 1 GIAF CC(C)=CCC[C@H](C)CN1CCC(N2CCC(C(=O)NC(C)C)CC2)CC1 12836969 COMXGQHGPGMKFD-FQEVSTJZSA-N 377.617 4.070 0 3 GIAF Cc1ccc2c(c1)N(CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)C(=O)c1cccnc1O2 15879071 BJSBMECVEKPDDO-LZLYRXPVSA-N 393.487 4.083 0 3 GIAF C(=C/c1cc2cc(C3=NCCN3)ccc2o1)\c1cc2cc(C3=NCCN3)ccc2o1 6567379 YRHJNVHXGUFHEW-ONEGZZNKSA-N 396.450 4.049 0 1 GIAF NC(=O)c1ccc2[nH]c(-c3ccc([S@](=O)c4ccc(Cl)cc4)cc3)nc2c1 13612152 XRGRHEXRUIGNAM-HHHXNRCGSA-N 395.871 4.149 0 1 GIAF CC[C@@H]1Cc2cc(OC(C)=O)ccc2-c2c(C=O)c3ccc(OC(C)=O)cc3n21 13650949 ZVXSSUWTWPWRKA-MRXNPFEDSA-N 391.423 4.479 0 1 GIAF O=C1C(=O)N(Cc2ccc(Br)cc2)c2c(Cl)ccc(Cl)c21 40874668 ATMMWPOFAVJFKE-UHFFFAOYSA-N 385.044 4.485 0 1 GIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc(O)c(F)c3)C[C@@H]1O2 95553751 YVZIHEXHPIHHAQ-QTPGKHNVSA-N 399.462 4.163 0 1 GIAF c1ccc(N2CCN(CCC[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)cc1 100803062 GXOXNWXNCBKFTM-OYRHEFFESA-N 379.552 4.050 0 1 GIAF CCN1C(=O)/C(=C/c2ccc(-c3cc(=O)c4ccccc4o3)cc2)N(CC)C1=O 103284082 BYJIWDFUTAEJLG-AQTBWJFISA-N 388.423 4.105 0 1 GIAF CN1Cc2cc(CN3CCOCC3)ccc2[C@@H](c2cc3ccccc3s2)C1 165397639 QMOZFCXYKWWVFV-NRFANRHFSA-N 378.541 4.311 0 1 GIAF O=C(Oc1cccc(/C=C2\N=C3SCCCN3C2=O)c1)c1ccc(Cl)cc1 169320914 OJQWPKHJTWYDHA-ATVHPVEESA-N 398.871 4.235 0 1 GIAF COc1cccc2c(NCc3ccccc3)nc(N3C(=O)Cc4ccccc43)nc12 218971224 XXQFIGYHDRPISU-UHFFFAOYSA-N 396.450 4.471 0 1 GIAF Oc1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 586966177 ITNVLJQWLQBXGS-UHFFFAOYSA-N 377.473 4.078 0 1 GIAF FC(F)(F)c1cnc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 587001944 BOYLPFYXIGBNAP-UHFFFAOYSA-N 382.143 4.283 0 1 GIAF FC(F)(F)c1ccccc1Cc1nc2ccc(CN3CCOCC3)cc2[nH]1 587107012 GRDLUIGDDRHJKR-UHFFFAOYSA-N 375.394 4.005 0 1 GIAF N[C@@H](N=O)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587159085 MGELSTQHYFXRSR-FQEVSTJZSA-N 386.390 4.432 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)C1CCCC1 587225082 JQQZLDGCUYNQGI-GOSISDBHSA-N 384.480 4.204 0 1 GIAF COc1cc(OC)c2[nH]c([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)nc2c1 587235225 HXANARFBSMWJGK-ZIAGYGMSSA-N 375.469 4.131 0 1 GIAF COC(=O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1OC 587241863 BZZOGGFDNJOKAX-UHFFFAOYSA-N 389.411 4.474 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCN[C@@H]3CCCC[C@H]32)[C@@H]1c1ccc(F)cc1 587351805 VHWCRMACPJDHTJ-ZNTQHIFFSA-N 381.447 4.181 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCc3c(O)cccc32)[C@@H]1c1ccc(F)cc1 587352531 KWRJMBALSXEDQG-GGAORHGYSA-N 376.383 4.438 0 1 GIAF CC(=O)C12CC([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)(C1)C2 587354027 MIWHJZDWVLVXOO-HMGIHFHHSA-N 380.415 4.408 0 1 GIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(OC)c1Br 587375588 DRIJMBJORJPBGS-CQSZACIVSA-N 392.249 4.063 0 1 GIAF COc1ccc(O)c([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587401778 YGUXCXUAOQGIBR-QHCPKHFHSA-N 375.424 4.200 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccsc1)([C@H](O)c1ccsc1)[C@@H](C2)C3=O 587451071 HTWQXULJVRSBMI-BEVDRBHNSA-N 384.478 4.195 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C(c4ccccc4)=COc4cc(O)ccc41)[C@@H](C2)C3=O 587454735 WNODBQNIYSCDMO-UQBPGWFLSA-N 398.414 4.477 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(OC)cc(OC)c31)CC2=O 587481098 ADBLWODJVJHXGJ-JOCHJYFZSA-N 384.428 4.005 0 1 GIAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC(C)=O 587522605 GCYQCALCLRUVMG-HSZRJFAPSA-N 380.440 4.380 0 1 GIAF COC(=O)/C=C/c1ccc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587527501 VVXLMKLYKGSZDK-FTUXVVSKSA-N 378.424 4.164 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1-n1cccn1 587583751 XLBZNWNUAFIJMN-NZQKXSOJSA-N 384.391 4.281 0 1 GIAF Cc1cc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C)n1 587586113 HHOXEJHXORFQDG-TZIWHRDSSA-N 375.424 4.367 0 1 GIAF COCOc1ccccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594549 OMNUKTYSBFEQOS-OFNKIYASSA-N 392.407 4.252 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)o2)N1 587765984 LSBLQOGTSKJCTO-ADLMAVQZSA-N 379.273 4.405 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccccn2)(c2ccccn2)N1 587767450 ARTBJZDLOHUAFW-ZDUSSCGKSA-N 398.279 4.204 0 1 GIAF Cc1noc(C2CCC3(CC2)N[C@H](C)Cc2ccc(F)c(Br)c23)n1 587791666 FWMQZSGLIKRYHQ-VJIIGADZSA-N 394.288 4.367 0 1 GIAF CC(=O)Oc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587806884 BKVGOOBUYLPOQY-JEOXALJRSA-N 392.268 4.311 0 1 GIAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 587934713 FIMRITXZMPLWGJ-NRFANRHFSA-N 392.480 4.155 0 1 GIAF CC(C)c1nc(-c2nnc(C3CCN(CC4CCC4)CC3)o2)c2ccccn12 653790931 GVSAKGGENWBBFO-UHFFFAOYSA-N 379.508 4.487 0 1 GIAF CCOC(=O)c1oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2c1C 653861827 RJMLONWIMLGZJJ-UHFFFAOYSA-N 393.848 4.372 0 1 GIAF C[C@@H]1CCC[C@@]2(C1=O)c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961773058 CYLATDQNPMKMSK-CMJOXMDJSA-N 384.520 4.422 0 1 GIAF CCc1cccc(-c2nc([C@@H]3NCCc4ccc(C(=O)N(C)C)cc43)cs2)c1 962929782 XMIMMHMCDSYCAT-OAQYLSRUSA-N 391.540 4.309 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(C)n(-c2nccs2)c1C 963665119 GGWVVXSPGCACPS-MPBGBICISA-N 383.517 4.191 0 1 GIAF CCCSc1nc(N2CCOCC2)c2nc(Nc3ccccc3)sc2n1 1772656540 HQEUHVNWULIYQV-UHFFFAOYSA-N 387.534 4.169 0 1 GIAF c1ccc(CCC2CCN(CCN[C@@H]3CCN(Cc4ccccc4)C3)CC2)cc1 1857544858 NFJKWJFFIUIDPF-AREMUKBSSA-N 391.603 4.195 0 1 GIAF COC(=O)C=C(C)CC[C@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@]2(C)C(C)=C[C@@H](O)C[C@H]21 2356674464 JMMACFKOBKFRDJ-JGLSICAWSA-N 392.536 4.197 0 1 GIAF COc1ccc(CN2C(=O)COc3ccccc3[C@H]2c2nc3ccccc3[nH]2)cc1 95564586 LNHREUYMOPJAEJ-QHCPKHFHSA-N 399.450 4.082 0 3 GIAF CCCN(CCc1ccc(OC)c(OC)c1)C1Cc2cc(OC)c(OC)cc2C1 13471432 PMEYCKNESWKUMY-UHFFFAOYSA-N 399.531 4.143 0 1 GIAF Cc1cccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)c1 13762106 RSABMOYFBOLDLO-UHFFFAOYSA-N 380.391 4.270 0 1 GIAF CC(C)Oc1ccc(C(=O)N(CCc2cccc(Cl)c2)[C@@H]2CCNC2)cc1 28823611 KWEUAJVHHBNKAT-HXUWFJFHSA-N 386.923 4.174 0 1 GIAF Cc1ccc(-c2ccc(CNCCCP(=O)(O)O)nc2-c2ccccc2)cc1 43193782 BWUYGRHIDKUYBU-UHFFFAOYSA-N 396.427 4.381 0 1 GIAF O=C(/C=C/c1ccc(Cl)c(Cl)c1)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 45334646 OJALHTBIRLQALG-KZJSRBBCSA-N 391.298 4.103 0 1 GIAF Clc1ccc(CNc2ncnc3c2nc(C2CC2)n3C[C@H]2CCCO2)cc1 82185295 LBPBWXGKQSRYAB-MRXNPFEDSA-N 383.883 4.148 0 1 GIAF CCOC(=O)c1sc2ncccc2c1Nc1cc(OC)c(OC)c(OC)c1 95586903 NTQLEAGDRKTPLE-UHFFFAOYSA-N 388.445 4.242 0 1 GIAF O=C(Nc1ccc(F)cn1)c1cc(Oc2cncnc2)cc(C(F)(F)F)c1 96939174 BYYARMUYPWBERE-UHFFFAOYSA-N 378.285 4.074 0 1 GIAF CC(C)(C)n1c(-c2ccccc2C(=O)O)nc2cc(-c3cnc(N)nc3)ccc21 143821988 JHGGRSSNWWYNRP-UHFFFAOYSA-N 387.443 4.196 0 1 GIAF C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCC[C@H]1C 299807300 VRGPFBVTIGOXNH-SJORKVTESA-N 380.488 4.184 0 1 GIAF O=C(NCc1ccsc1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 299832764 VTCOMMYOOGHCHB-UHFFFAOYSA-N 386.452 4.026 0 1 GIAF COc1cc(Br)cc(C=O)c1OCc1nc2ccc(F)c(C)c2[nH]1 586980086 IBMMWRIBVGYYNI-UHFFFAOYSA-N 393.212 4.173 0 1 GIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c1 587049566 BHRCLANKAUOSHG-UHFFFAOYSA-N 384.867 4.180 0 1 GIAF O=C(O)c1ccc(-c2cc(-c3nc4nc(Cl)c[nH]c-4n3)ccc2F)cc1F 587138393 HGHSRXWQBMEBFS-UHFFFAOYSA-N 386.745 4.268 0 1 GIAF Cn1c2ccc(Cl)cc2c2cc(-c3ccc4c(O)nc(O)nc4n3)ccc21 587368469 KMWXDARKCZWICF-UHFFFAOYSA-N 376.803 4.401 0 1 GIAF O=C1C[C@@H](c2ccc(CN3CCOCC3)s2)Oc2c1ccc1c2CCCC1 587532327 PNQMBWOVJKXHSH-FQEVSTJZSA-N 383.513 4.166 0 1 GIAF COc1c(F)cc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554291 CXGOADKRYMUCMX-LAUBAEHRSA-N 384.334 4.382 0 1 GIAF Cc1cc(O[C@@H](C)C(=O)n2ncc3ccc(Cl)cc3c2=O)ccc1Cl 587651126 LEBQZCIUYMKYSS-NSHDSACASA-N 377.227 4.119 0 1 GIAF CCn1nc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587759430 TWWMLIQTSCDCPW-YPMLDQLKSA-N 380.305 4.219 0 1 GIAF CCOC(=O)[C@@H]1[C@H](C)CC=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587798517 OTFDEHBGKVYVBM-AFZXILKMSA-N 396.300 4.093 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=Cc3cc(O)ccc3OC2)N1 587832325 BKCFJARCUFNWAM-OVWNDWIMSA-N 390.252 4.345 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CC2CCC3(CC2)OCCO3)N1 587837565 IPTXXFKVDPCUFX-BLLLJJGKSA-N 398.316 4.487 0 1 GIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4c(Cl)cnc(Cl)c4[nH]1)(C3)C2 587949796 CFMARMKSXPXVDW-IMWAJYHESA-N 380.275 4.418 0 1 GIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587960778 BPKLOZFXJXFDNO-HTQZYQBOSA-N 391.187 4.382 0 1 GIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587963693 QOGKHTBCEMCYKB-JGVFFNPUSA-N 391.187 4.382 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@H]1c1cnc(-c2ccco2)nc1 962378332 YHPKPJCTSMIDOB-HXUWFJFHSA-N 376.485 4.284 0 1 GIAF CC(C)[C@]1(c2nccn2C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962644887 XTOGHLARIMQRBT-WIOPSUGQSA-N 386.543 4.067 0 1 GIAF O=C(N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)c1cccnc1 1857561336 VFPWOWNZXWEXBN-UHFFFAOYSA-N 396.372 4.173 0 1 GIAF COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)O)c2)c2ccccc12 1857655800 UZJCCTZIRHHGAO-UHFFFAOYSA-N 391.832 4.001 0 1 GIAF CC(=O)N[C@@H](C)/C=C/c1ccc(Oc2ccc(OCCF)cc2Cl)nc1 1857758082 BJCYMMYHZTWZTF-OOPCZODUSA-N 378.831 4.413 0 1 GIAF CC(C)=CCc1c2c(c(O)c3cc(C(C)(C)O)oc13)C(=O)[C@@H]1C=CC=C(O)[C@H]1N2 2356362883 FSPOYVYBSQSARA-XIKOKIGWSA-N 395.455 4.479 0 1 GIAF CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356418462 KHBOEHDNAZWJMH-NBRLBTGISA-N 389.624 4.365 0 1 GIAF CN(CCCNC(=O)c1c(C(C)(C)C)noc1-c1ccoc1)c1ccccc1 2483396 BUCKBTYSHSURIH-UHFFFAOYSA-N 381.476 4.488 0 1 GIAF COc1ccccc1CNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccccc1 4053454 JIQWZRDJDJEMDE-JTHBVZDNSA-N 386.451 4.103 0 1 GIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4214646 OUAMMVPUGWXLEZ-XGXHKWSGSA-N 378.538 4.182 0 1 GIAF CCc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 14976953 DJFOTTYJRUVOFU-MRXNPFEDSA-N 376.435 4.306 0 1 GIAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(=O)O 26187702 VKJGCWRFKHGFHT-CKXCCYAOSA-N 380.481 4.225 0 1 GIAF O=C(O)CCNC(=O)[C@H](CC1CCCCC1)C[C@@H](CC1CCCCC1)C(=O)O 26508094 NJLBECLJORBIQZ-RTBURBONSA-N 395.540 4.225 0 1 GIAF CC(C)NC(=O)N[C@@H]1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21 26642487 CMDFRRMXFCTMKL-HSZRJFAPSA-N 393.531 4.329 0 1 GIAF CO[C@@H](C)C(=O)N(c1ccccc1)[C@@H]1CCN(CCc2cccs2)C[C@@H]1C 26728597 LZKVXBQOOPUNCP-BBTUJRGHSA-N 386.561 4.069 0 1 GIAF CC1=NC(C)=C(C(=O)O)[C@H](c2cccnc2)/C1=C(\O)OC/C=C/c1ccccc1 28568140 YYAKDYVWWSXAMA-DKTRMQAMSA-N 390.439 4.498 0 1 GIAF CCOc1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1C(F)(F)F 29396439 LHOFXUQSOCLNPO-UHFFFAOYSA-N 393.409 4.132 0 1 GIAF CN1C(=O)[C@H](Cc2cccc(-c3ccccc3)c2)NC(=O)c2cc(Cl)ccc21 38268013 GCJJQBPYGHJOMS-FQEVSTJZSA-N 390.870 4.325 0 1 GIAF CC(C)c1nc2c(NCc3cccc(F)c3)ncnc2n1CCN1CCCCC1 82184640 RQGZGQZFPCUKOU-UHFFFAOYSA-N 396.514 4.187 0 1 GIAF COc1ccc([C@H]2CC(c3cc4ccccc4nc3C)=NN2C(C)=O)cc1OC 103273644 RTXOSMSWZRCTJT-OAQYLSRUSA-N 389.455 4.258 0 1 GIAF Cc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)NCC3CCCC3)cc1)C2 167480874 LPQRULJBFKITJM-UHFFFAOYSA-N 377.488 4.463 0 1 GIAF COc1cc(/C=C/c2nc3ccc([C@@H](N)N=O)cc3[nH]2)ccc1Br 586975922 HASYUHJBQAPSJX-GALSZHCDSA-N 387.237 4.228 0 1 GIAF COc1ccc2c(c1N)-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O 586987874 UFTHCABMODSCTJ-UHFFFAOYSA-N 380.403 4.314 0 1 GIAF Cc1c(F)ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c12 586999628 AXCAWSPSWKQCKU-AWEZNQCLSA-N 387.256 4.497 0 1 GIAF CCn1cc(Br)c(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)n1 587001488 YNENSZOSPOEKGH-UHFFFAOYSA-N 389.175 4.031 0 1 GIAF Cc1cnc2[nH]c([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)nc2c1 587030433 DXOYHSMHMJVFGT-NUBYWOLOSA-N 385.518 4.393 0 1 GIAF CCOc1n[nH]c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1Cl 587064866 HXZPNPQFSRRJQE-UHFFFAOYSA-N 376.041 4.421 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc(-c4cnc(Cl)nc4)[nH]c3c2)cc1 587085887 MKKCPDWTGLMEGS-UHFFFAOYSA-N 380.791 4.252 0 1 GIAF FC(F)(F)[C@@](F)(Cl)c1nc2cccc(I)c2[nH]1 587089366 BWRKUOQTJFJJHE-MRVPVSSYSA-N 378.494 4.091 0 1 GIAF C[C@@]1(c2ccc(Cl)nn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326938 DKSRLPCRUGZLMB-ICSRJNTNSA-N 384.794 4.249 0 1 GIAF COP(=O)(C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC 587359058 GJAPJYVDXVBJJW-IEBWSBKVSA-N 394.335 4.135 0 1 GIAF CSc1nccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587379340 XYPHURPNLFGHAQ-WIYYLYMNSA-N 396.443 4.318 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1cnn3-c1ccc(F)cc1)O2 587385056 QYMZEIVULDIEGR-QFIPXVFZSA-N 377.419 4.099 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)c(C=O)c(Cl)n4C)[C@@H](C2)C3=O 587422394 PLQAEHNXGFOHBG-XOBRGWDASA-N 381.815 4.142 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(N)cccc1Br)CC2=O 587456011 ITRLTHDJTJETLK-INIZCTEOSA-N 376.250 4.396 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC2=O 587474022 BWAQWOCAQGVABQ-PEBXRYMYSA-N 389.492 4.326 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)nc(N3CCCCC3)n1)CC2=O 587478094 ZWAKOMUUSNFECV-HXUWFJFHSA-N 381.476 4.140 0 1 GIAF COC(=O)[C@@]12C[C@H]3C[C@@H](C1)[C@@]1(CC(=O)c4ccc5c(c4O1)CCCC5)[C@H](C3)C2 587526182 RXSKJALNPQNIQD-GEDKTTDTSA-N 380.484 4.269 0 1 GIAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1N(C)C 587571800 MHHFKHUBEROWCJ-REWPJTCUSA-N 375.424 4.470 0 1 GIAF C[C@@H]1CCCN(CC(C)(C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587581671 ITDZYWSVVQIFQB-LQNXUBFPSA-N 395.499 4.481 0 1 GIAF CCOC(=O)[C@H](CC)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592613 BDGVGPGSGHWOED-NVVBAYIOSA-N 398.455 4.338 0 1 GIAF CCCCC[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597494 QROSPHGMLNILRI-GCJKJVERSA-N 384.428 4.236 0 1 GIAF C[C@@H](O)Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587614904 DMSMOQYTGJBFPR-ZTWLPKFNSA-N 376.408 4.018 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)c2ccc(F)cc2)N1 587730773 KQTUOSJKNWFYSS-XTZNXHDOSA-N 380.232 4.360 0 1 GIAF COc1cc(F)c2c(c1)CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587737475 FMOZJTQXOGVTKX-OVWNDWIMSA-N 394.259 4.460 0 1 GIAF CC(C)C[C@]1([C@@H]2CCCNC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587791517 GDEPUTTWQXXAEY-ZXYWRSMDSA-N 383.349 4.363 0 1 GIAF COC(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587807262 LSZNRWWGKGAIJB-NSPYISDASA-N 392.268 4.173 0 1 GIAF CCc1oc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)OC 587828631 OOZBSORPPSIPEK-XYZCENFISA-N 396.256 4.154 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc([S@](C)=O)cc2)N1 587841099 PKRKLDGIZVPHOJ-VYCRWZNHSA-N 396.325 4.123 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(C)(=O)=O)cc1Cl 587872726 SJBXAJWVSPYGJE-UHFFFAOYSA-N 394.855 4.134 0 1 GIAF COc1ccc(-c2cccc(-c3nc4cccc(C(N)=O)c4[nH]3)c2C)c(OC)c1 587928923 IGIHTGMCHJIDNS-UHFFFAOYSA-N 387.439 4.321 0 1 GIAF COc1ccc2c(c1OC)[C@@](C)(c1cc3ccccc3nc1O)N(C)[C@@H](C)C2 962633616 KHODSJSGADNVDY-LFVRLGFBSA-N 378.472 4.098 0 1 GIAF CC(=O)Oc1ccc([C@]2(c3ccc(Cl)cc3)NCCc3c(C)ccnc32)cc1 963074760 XYQAGFSVHIPTCF-QHCPKHFHSA-N 392.886 4.406 0 1 GIAF Cc1cc(=O)oc2cc(NC(=O)Cc3ccc(NC(=O)CC(C)C)cc3)ccc12 1772621016 LVFPUPFUAPDNQE-UHFFFAOYSA-N 392.455 4.267 0 1 GIAF COc1cc2nc(-c3ccc(C)o3)cc(NC3CCN(C)CC3)c2cc1OC 1857646828 JJGQHCGDEBOMSO-UHFFFAOYSA-N 381.476 4.327 0 1 GIAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(C(F)(F)F)cc2)cc1OC 1911581752 AQKIOYOZGXBMEH-DOTOQJQBSA-N 394.389 4.297 0 1 GIAF CCCCC(C)(C)[C@H](O)C=C[C@@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)O 2356519874 RQOFITYRYPQNLL-QGZVKYPTSA-N 382.541 4.111 0 1 GIAF CC(=CCc1cc(C(=O)O)ccc1O)CCC=C(C)CC[C@@H](O)[C@H](C)C(=O)O 2356718209 NTUPPVZJNOAYQQ-QFBILLFUSA-N 390.476 4.168 0 1 GIAF C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccc(C(C)(C)C)cc1 12472587 HXEGYKRQQDMOPZ-JTQLQIEISA-N 388.744 4.266 0 3 GIAF O=C(N[C@@H]1CCC(=O)N(CCSc2ccccc2)CC1)OCc1ccccc1 15937126 NDQHSAUCXUJOLN-LJQANCHMSA-N 398.528 4.086 0 3 GIAF COc1cc2c(c(OC)c1OC)C1(CCCCC1)C[C@H]2NC(=O)c1ccncc1 199724326 FPWWMEDPVAQRGS-QGZVFWFLSA-N 396.487 4.184 0 3 GIAF CCOc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NC[C@H](O)CC 775063 BLJWXNXKYITCOX-CQSZACIVSA-N 398.434 4.047 0 1 GIAF Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCNCC1 8582010 HDNBYWUROCXFTK-UHFFFAOYSA-N 385.471 4.397 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1cccc([C@@H](C)N3CCCCC3)c1)C2 28132556 ZEOPUBHBRCLSHH-MWTRTKDXSA-N 395.499 4.437 0 1 GIAF CC(C)=CCn1c(C)c(C(C)(C)C)s/c1=N\S(=O)(=O)c1ccccc1 28862031 ZVWHAVPYNIHHPP-ZZEZOPTASA-N 378.563 4.411 0 1 GIAF CN1CCN(c2ccc(Nc3c(CO)cnc4ccc(F)cc34)cc2)CC1(C)C 34801088 KJGIXOOWJYEMMO-UHFFFAOYSA-N 394.494 4.140 0 1 GIAF CCCS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1 40938522 IGXYXCWSBYCRDU-UHFFFAOYSA-N 399.520 4.157 0 1 GIAF CC1=C(C(=O)Nc2ccc(F)c(Cl)c2)[C@@H](c2cccc(Cl)c2)NC(=O)N1 40939055 RUAGSHFYMGECDP-MRXNPFEDSA-N 394.233 4.399 0 1 GIAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2c(Cl)cccc2Cl)N1 66102125 CMPSVFOWDPJLPK-YJBOKZPZSA-N 375.255 4.251 0 1 GIAF CCc1nn(-c2ccccc2)c2cc(NC(=O)c3cccc(C(=N)N)c3)ccc12 72175546 HMHONCLSBVJWLY-UHFFFAOYSA-N 383.455 4.124 0 1 GIAF COC(=O)CCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21 96938379 UDIVXDRBTSJOGV-UHFFFAOYSA-N 378.472 4.374 0 1 GIAF O=C(NCCc1ccccc1)c1ccc(CSc2nc3cc[nH]cc-3n2)cc1 103584647 XXWAITDJHDMGPW-UHFFFAOYSA-N 388.496 4.174 0 1 GIAF O=C1N(c2cc(Cl)nc(C(F)(F)F)c2)CCN1c1cnccc1C1CC1 144329917 VFRFKPNXAAMJIR-UHFFFAOYSA-N 382.773 4.473 0 1 GIAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cn[nH]c2)n1 144340490 XTDCAAWWUODPFK-UHFFFAOYSA-N 387.418 4.483 0 1 GIAF Cc1noc(NC(=O)c2ccc(NCc3cccc(Cl)c3Cl)nn2)c1C 207423430 WTAIDQRRXITVFX-UHFFFAOYSA-N 392.246 4.253 0 1 GIAF CCOC(=O)c1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587127393 SGVJVDMUWMMNLV-UHFFFAOYSA-N 390.321 4.182 0 1 GIAF Cc1c(Br)ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174858 MVNOEYFVACYSNT-AWEZNQCLSA-N 387.256 4.497 0 1 GIAF Cc1cccc2c1NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347731 MNALEWGDFAGVRH-XXBNENTESA-N 389.382 4.046 0 1 GIAF Oc1nc(O)c2ccc(-c3cc(Cl)c(Cl)c(C(F)(F)F)c3)nc2n1 587368834 PMBRIVXBVXHSBU-UHFFFAOYSA-N 376.121 4.429 0 1 GIAF CCOC(=O)C[C@@]1(c2ccc(Cl)cc2F)CC(=O)c2cc(C)cc(N)c2O1 587385752 PSTGSBFWAWGGRV-HXUWFJFHSA-N 391.826 4.184 0 1 GIAF COc1cc2c3c(c1)O[C@@](/C=C/N(C)C)(c1cc4ccccc4o1)[C@@H](C2)C3=O 587426873 BXFUTGPYLTYKPI-HELVRJGTSA-N 375.424 4.160 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(Cl)c1N)CC2=O 587458688 DXRAVFRNQYSMGG-HXUWFJFHSA-N 375.852 4.470 0 1 GIAF COC(=O)C[C@@]1(C(F)(F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587497744 GIHNPCXNYIQRPN-MRXNPFEDSA-N 392.320 4.030 0 1 GIAF Cc1cc(C(=O)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587559637 YIYLALHDWXFVDH-GCJKJVERSA-N 378.355 4.053 0 1 GIAF CN1CCCc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587593169 JRKZYNBXKCZLEP-XUZZJYLKSA-N 387.435 4.478 0 1 GIAF CCOC(=O)c1c(-c2ccncc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623419 FZVGWNFLFZORGT-UHFFFAOYSA-N 385.221 4.045 0 1 GIAF Cc1cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)o1 587657139 WQNAVBXXARWOON-UHFFFAOYSA-N 380.350 4.240 0 1 GIAF COc1ncc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Cl 587702433 ZLUUIUYSHFJWJY-XYZCENFISA-N 399.691 4.443 0 1 GIAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(F)c1O 587722575 SSNLWIBALJASNW-ZKANADHPSA-N 384.220 4.065 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(O)c(F)c2)N1 587723650 YHSXNSZTFBKLBR-RBHXEPJQSA-N 386.211 4.370 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(C(=O)O)c(F)c2)N1 587726721 ZGGHSOHWBHEDLJ-DYBLOJMWSA-N 396.231 4.223 0 1 GIAF CC(=O)Nc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587745885 XMBBFIILCIYARZ-NSPYISDASA-N 391.284 4.344 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H]1CC[C@]2(C)C1(C)C 587818348 QVMJKZYGOKAJNN-QQHHZCALSA-N 380.301 4.343 0 1 GIAF COc1ccc(CCCc2nc3c(C)c(Br)cnc3[nH]2)c(OC)c1 587928812 MTUINEBCLIJSDH-UHFFFAOYSA-N 390.281 4.221 0 1 GIAF Cc1c(F)ccc2c1[C@]1(CCCCN(C(=O)OCc3ccccc3)C1)NCC2 962296466 GULWKBJJOLVYCX-HSZRJFAPSA-N 382.479 4.298 0 1 GIAF COc1cccc(O[C@H](C)[C@]2(C)c3c(ccc(OC)c3OC)C[C@H](C)N2C)c1 962629645 HZVZXYWTNQZUJQ-NXHTTZLHSA-N 385.504 4.272 0 1 GIAF O=C(NC1CC1)c1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962706992 MWOPLZMGMDRVIV-GCJKJVERSA-N 396.531 4.171 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@@H](c2ccc(O)c(Cl)c2Cl)N1)C(F)(F)F 962768420 RLHMPMVKQACUCC-ABAIWWIYSA-N 390.188 4.434 0 1 GIAF CN(C)C(=O)c1ccc2c(c1)[C@](CCc1ccccc1)(C(F)(F)Cl)NCC2 962931069 ZOUZIPHSLUSLDM-HXUWFJFHSA-N 392.877 4.194 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@@]3(CCC=C3CSc3ccccc3)c3cccc1c32 963033772 UOIHMABZXGZFQH-WAIKUNEKSA-N 376.525 4.448 0 1 GIAF O=C1CC[C@@]2(CCN1Cc1ccccc1)c1c(F)cccc1C[C@@H]1CCCN12 963100925 JBLYYNPURIEKBN-GBXCKJPGSA-N 378.491 4.254 0 1 GIAF O=C1Nc2cc(C(=O)O)ccc2C1=C(c1ccccc1)c1nc2ccccc2[nH]1 1857624518 HLKARGIXQHWNKN-UHFFFAOYSA-N 381.391 4.172 0 1 GIAF Cc1csc(NC(=O)c2cc([C@H](C)c3cncnc3)cc3cccnc23)n1 1857755189 ZWPZCBGYUSAISS-ZDUSSCGKSA-N 375.457 4.194 0 1 GIAF CCOc1ccc(-n2c(C)c3c(C)nnc(N4C[C@H](C)O[C@H](C)C4)c3c2C)cc1 28568141 MKQOBUSLJOMKNU-GASCZTMLSA-N 394.519 4.358 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=C[C@@H](O)[C@@]21C 33820915 XAGTZUQUSSNQAI-MQBBQEGVSA-N 390.564 4.398 0 1 GIAF CN1C/C=C/CC(=O)Nc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 73200073 FWMQFPCUIRCJLI-NSCUHMNNSA-N 385.471 4.217 0 1 GIAF Nc1nc(-c2ccccc2)c2c(n1)-c1cc(Cc3ccncc3F)ccc1C2=O 95556487 JEKOIWILWQACKQ-UHFFFAOYSA-N 382.398 4.062 0 1 GIAF Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c(-c2nc(C3CC3)no2)c1C 205750480 JEVCBDYTOYYRPV-STQMWFEESA-N 389.477 4.122 0 1 GIAF Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(N)c(C(=O)O)c2)c1 211041749 OBWIGRRHTNYPTQ-UHFFFAOYSA-N 388.349 4.495 0 1 GIAF CC(=O)[C@@H](C)N(CC(F)(F)F)c1ccc2nc(O)cc(C(F)(F)F)c2c1 473235220 RRJOVWZDHOLHCI-MRVPVSSYSA-N 380.288 4.305 0 1 GIAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(O)ncnc2[nH]1 586983094 VQLGOPPGISCVQM-GFCCVEGCSA-N 375.270 4.193 0 1 GIAF N=c1[nH]c2c(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)cccc2o1 586986965 IHPFPYTXBNKLCQ-UHFFFAOYSA-N 379.375 4.373 0 1 GIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(F)c(F)c(Cl)cc2[nH]1 587038265 FXIDHUGRSYVILL-UHFFFAOYSA-N 387.799 4.360 0 1 GIAF CCOC(=O)[C@@H](CC(C)=O)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096753 GSJXGMOCEGVLQY-IBGZPJMESA-N 387.435 4.380 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(OC)nc1)CC2=O 587471458 QVUIMCYMTKNJSD-FQEVSTJZSA-N 378.428 4.246 0 1 GIAF C[C@]1(Cn2cc(C(F)(F)F)ccc2=O)CC(=O)c2ccc3c(c2O1)CCCC3 587510043 VUTQEPDLICPSIQ-HXUWFJFHSA-N 391.389 4.170 0 1 GIAF CCn1cc(Cl)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587555019 ZBWLFZBCRZZFCT-JXFKEZNVSA-N 384.819 4.139 0 1 GIAF CC(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587579509 OMDUVKQLCXJZKM-NZQKXSOJSA-N 389.407 4.228 0 1 GIAF CCOc1ccc(C(=O)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587592558 AGGCUQIYKBTMTR-XXBNENTESA-N 390.391 4.004 0 1 GIAF CC(C)(C)[C@H]1OCC[C@@H]1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660589 QAIFLTNCKQJWMB-ICSRJNTNSA-N 394.446 4.294 0 1 GIAF CC(C)[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587704699 JLNOWNKIQYZDSQ-RFAUZJTJSA-N 396.222 4.495 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(C(=O)O)c2)N1 587713948 DOKYGYYJHTXHHV-VPTHRUTESA-N 382.204 4.049 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc3c2OCOC3)N1 587735890 VQBJFCNANYICEY-HUTHGQBESA-N 396.231 4.217 0 1 GIAF COC(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587812498 ZPJQGWIQVMXWGT-JEOXALJRSA-N 392.268 4.173 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3nsnc23)N1 587859648 YBEDYGXAAVMIGR-ANRSDYALSA-N 378.270 4.217 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](Cc2ccccc2Cl)(c2ccco2)N1 962904491 VUHGLCJDEAHDTQ-UWJYYQICSA-N 385.822 4.157 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@]3(CCC=C3CSc3ccccc3)c3cccc1c32 963033766 UOIHMABZXGZFQH-MWTRTKDXSA-N 376.525 4.448 0 1 GIAF C=C(Br)C(=O)Nc1ccc2c(c1)/C(=C\c1ccsc1)C(=O)N2 1772629255 XQGYCUGQXLXADA-AWNIVKPZSA-N 375.247 4.088 0 1 GIAF CCOC(=O)c1sc2cc(Oc3ccnc(C(=O)NC)c3)ccc2c1CC 1772653861 DSMQKNHKYLMYCK-UHFFFAOYSA-N 384.457 4.187 0 1 GIAF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=C2[C@H](O)[C@@](C)(O)CC1 1857770653 PAJAQJGAODSPPI-GMAHTHKFSA-N 388.504 4.175 0 1 GIAF CN[C@@H]1CCc2ccc(-c3cc(O)c4cc(-c5cnco5)c(OC)cc4n3)cc21 13487620 RDIPHNSKCWONAH-GOSISDBHSA-N 387.439 4.478 0 1 GIAF CCN(c1nc(C)cc(C)n1)c1c(Br)cc(N(C)C)cc1OC 13794413 RWCFSMJFBUIHJX-UHFFFAOYSA-N 379.302 4.089 0 1 GIAF COC(=O)[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 26390228 PMMRBDRYCOJUPT-IHGGMVMOSA-N 375.553 4.275 0 1 GIAF C1CCC(NCCN(CCNC2CCCCC2)CCNC2CCCCC2)CC1 28250236 MPSBDRUUXLXAIY-UHFFFAOYSA-N 392.676 4.055 0 1 GIAF O=S(=O)(c1ccc(Cl)s1)n1cc([C@@H]2CCCNC2)c2ccccc21 28524773 JJNCPALKVTYAFB-GFCCVEGCSA-N 380.922 4.060 0 1 GIAF C[C@@H]1C[C@@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CCN1 40847494 WDVFSNIVMZTNHY-NEPJUHHUSA-N 394.566 4.048 0 1 GIAF FC(F)(F)Oc1ccc(-c2nc(CNCCOc3ccccc3)co2)cc1 72179874 DWUOZYFRXDFGPY-UHFFFAOYSA-N 378.350 4.409 0 1 GIAF COc1ccc(Oc2c(C=O)cnn(Cc3cccc4ccccc34)c2=O)cc1 73294703 WAPRVUGERNDNMN-UHFFFAOYSA-N 386.407 4.058 0 1 GIAF O[C@H](c1ccc2ccccc2c1)c1nnc(Nc2ccc3c(c2)OCO3)s1 82078556 CSSIWXFSLWTPLQ-GOSISDBHSA-N 377.425 4.245 0 1 GIAF Brc1ccc(COc2ccc([C@@H](Nn3cnnc3)C3CC3)cc2)cc1 96938145 MGLVZTUERZTTFA-IBGZPJMESA-N 399.292 4.314 0 1 GIAF Cc1nc(-c2ccc(F)cc2)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1 103294243 ARXUDUIUHDGDEV-UHFFFAOYSA-N 399.853 4.405 0 1 GIAF CO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)c(OC)c1 103683502 OATNPKVUEWICRA-LAFOYAEKSA-N 379.416 4.165 0 1 GIAF CCCCCc1ccc(C(=O)NCC(=O)N[C@H]2CCCc3ccccc32)cc1 136970582 YBMXZSWZDVESLG-QFIPXVFZSA-N 378.516 4.343 0 1 GIAF C[C@@H]1CN(c2ccc(F)cc2)C(=O)c2cc(COc3ccc(F)cc3F)nn21 473099611 GXQRNXDPTQTNGB-GFCCVEGCSA-N 387.361 4.101 0 1 GIAF CS(=O)(=O)c1cccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 586924922 CPQQNKFEUIZFRK-UHFFFAOYSA-N 390.770 4.185 0 1 GIAF Cc1ccc(C)c2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc12 586954059 ZZICXEABBUBKMA-UHFFFAOYSA-N 384.486 4.104 0 1 GIAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(C)c(F)cc2[nH]1 586979812 CLACRAUCUKOIPT-UHFFFAOYSA-N 393.212 4.173 0 1 GIAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586995118 DFLUMMWXKQEVFA-OAHLLOKOSA-N 389.253 4.363 0 1 GIAF FC(F)c1c(-c2nc3cc(Cl)cc(Br)c3[nH]2)cnc2ncnn12 587127791 AUHHONNHPCUTMZ-UHFFFAOYSA-N 399.586 4.021 0 1 GIAF O=C1COc2cc3[nH]c(CN(Cc4ccccc4)c4ccccc4)nc3cc2N1 587195711 ILJUJLUAQSHZSI-UHFFFAOYSA-N 384.439 4.101 0 1 GIAF Cc1cc(Cl)cc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587275425 AIUSRVQTAFUUPM-UHFFFAOYSA-N 380.625 4.275 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)Nc1cccc(Cl)c1C)[C@@H](C2)C3=O 587420902 JNCFVVTYZCVBKG-QKKBWIMNSA-N 385.847 4.192 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cc(F)cc(F)c1)CC2=O 587467262 PXCMTMGOEVTRHO-NRFANRHFSA-N 390.382 4.047 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)([C@@H]1CCCNC1)CC2=O 587485638 PYUNWBCHPIPLGN-HOYKHHGWSA-N 379.500 4.291 0 1 GIAF CC(C)(O)c1nn2ccccc2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528334 XHHKAZKYCFTBHD-LJQANCHMSA-N 376.456 4.147 0 1 GIAF O=C1C[C@H](c2ccc(CN3CCSCC3)o2)Oc2c1ccc1c2CCCC1 587538660 QZDYUDNJTLZCSI-OAQYLSRUSA-N 383.513 4.414 0 1 GIAF C[C@@]1(c2ccc(-n3ccnc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587577063 LUVAFIHEXVIXMN-QPPBQGQZSA-N 398.418 4.455 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(C(=O)O)cc2F)N1 587724662 KXSNJOHOYORLFE-VPTHRUTESA-N 382.204 4.049 0 1 GIAF COc1cc(F)cc(OC)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587726501 JKGIPVWASATJAQ-YYSFKGJASA-N 398.247 4.368 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN(C)C)cc2)N1 587741800 PFZWEORJGKAWSA-BLVKFPJESA-N 377.301 4.273 0 1 GIAF Cc1ccnc2c1c([C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C 587754947 FXFUFHZZJDXSCK-VOJFVSQTSA-N 388.284 4.407 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(-c3ccccc3)n2)N1 587766243 UZCDUBKXPLQYJM-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF CCOC(=O)C[C@]1([C@H](C)CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587797972 NDPLAAHPPZGOBG-SEDUGSJDSA-N 386.305 4.317 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/C(=O)O)(c2ccccc2)N1 587826493 HNYMWLCUGOFQOQ-GKXPNMKESA-N 390.252 4.007 0 1 GIAF COc1cccc(C(=O)c2ccc(-c3nc4cc([C@@H](N)N=O)ccc4[nH]3)cc2)c1 587931086 FTCJSGGETBSUMT-NRFANRHFSA-N 386.411 4.193 0 1 GIAF CCOC(=O)[C@@H]1CCc2ccoc2[C@]12N[C@@H](CC)Cc1c2[nH]c2ccccc12 962958348 PSFRKQPBRFWCFT-WIRVKHDMSA-N 378.472 4.054 0 1 GIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(CCC[C@@H](C(F)F)CC2)N1 962965780 LRZXQECUTQTKDR-DSISRMJSSA-N 379.781 4.258 0 1 GIAF Oc1ccc([C@]2(c3ccc(Cl)cc3)NCCc3nc4ccccn4c32)cc1 962992046 WRLKKAROQAAZSU-QFIPXVFZSA-N 375.859 4.131 0 1 GIAF CC1=C2[C@H](OC(=O)C=Cc3ccccc3)[C@H](C(C)C)CC[C@]2(C)C(=O)C[C@@H]1O 2356494844 UWFXUVFDMVGMOG-IZORYLLQSA-N 382.500 4.334 0 1 GIAF CC1=CS[C@@](OCC(C)C)(c2ccc(Br)cc2)c2noc(=O)n21 13641917 HPXDOMQHNDRAAF-INIZCTEOSA-N 397.294 4.038 0 1 GIAF CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2F)C2=C(O)CC(C)(C)CC2=N1 20028833 ODLYTPDXYHNVMT-FQEVSTJZSA-N 398.478 4.129 0 1 GIAF CCOC(=O)Cn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12 26832654 ILXLQCFLSBBYOF-UHFFFAOYSA-N 380.427 4.139 0 1 GIAF CCN(CC)[C@@H](C)c1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 28137111 PFFIGJRGVPXHLW-OYHNWAKOSA-N 383.488 4.293 0 1 GIAF COc1ccc(-c2ccc(=O)n(CCCCCc3ccccc3)n2)cc1OC 28521360 FXOUERUVWLMXDR-UHFFFAOYSA-N 378.472 4.341 0 1 GIAF CN1CCC(n2c(CN(C)[C@@H]3CCCc4cccnc43)nc3ccccc32)CC1 35950934 FFROZRURSWKTSQ-JOCHJYFZSA-N 389.547 4.207 0 1 GIAF Cc1cc(C)cc(NC(=O)Nc2ccc(-c3ccnc4c3c(N)nn4C)cc2)c1 38252908 HBHOKIDZSIYNGE-UHFFFAOYSA-N 386.459 4.478 0 1 GIAF Cc1cc(C(F)(F)F)cc(Oc2ccc(C[C@H]3SC(=O)NC3=O)cc2)n1 45388837 JQTYXMYDJSVFPF-CYBMUJFWSA-N 382.363 4.095 0 1 GIAF O=C(O)C1CN(Cc2ccc(OCc3cccc(C(F)(F)F)c3)cc2Cl)C1 63540346 DBFCGNXJRISFMI-UHFFFAOYSA-N 399.796 4.454 0 1 GIAF Cc1cnc(N2CCC(N3CCCC3)CC2)nc1N[C@@H]1C[C@@H](C)CC(C)(C)C1 82204065 KTXBOBJJVQEYRI-IEBWSBKVSA-N 385.600 4.476 0 1 GIAF Cc1cnc(N2CCN(c3ccccn3)CC2)nc1N[C@H]1C[C@H](C)CC(C)(C)C1 82204098 BCWCBRQGZQITIZ-HKUYNNGSSA-N 394.567 4.133 0 1 GIAF CN(C)C(=O)c1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1 84587894 WTPCFSOZKZHGAF-UHFFFAOYSA-N 390.552 4.372 0 1 GIAF COC(=O)CCCCCCCO[C@H](Cn1cncn1)c1ccc(Cl)cc1 103276839 DRKXRCRSFSXMRA-GOSISDBHSA-N 379.888 4.203 0 1 GIAF NC(=O)c1ccc2nc(-c3ccc([C@@H](O)c4ccccc4Cl)cc3)[nH]c2c1 137538262 DNWRTTNDUPPYQA-LJQANCHMSA-N 377.831 4.064 0 1 GIAF CC(C)CN(c1cc(C(=O)Nc2ccc3[nH]ncc3c2)ncn1)C1CCCC1 144444724 HDMIXUZKPWZRNL-UHFFFAOYSA-N 378.480 4.010 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169324624 UVYBXVJYKDNRLY-WTFOSARBSA-N 386.580 4.460 0 1 GIAF CC1=C/C(=C2/C=C(C)C=C(Br)[N+]2=O)N(O)C(Br)=C1 200059936 HYKYKWZCJAPNQF-MDZDMXLPSA-N 375.040 4.061 0 1 GIAF Cc1cc(F)c2[nH]c([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)nc2c1 586939512 VISFKYLESRMRGF-MRXNPFEDSA-N 395.887 4.339 0 1 GIAF O=C(O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)c1 586992879 ZSFDGCKIOKFXPL-UHFFFAOYSA-N 383.359 4.223 0 1 GIAF Clc1cc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2cn1 587001639 OSSOKJQFUAKCFP-OWOJBTEDSA-N 392.640 4.315 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3ccc(F)cc3F)[nH]c2c1 587150018 IZOSEKVZNZKFKD-WEVVVXLNSA-N 391.443 4.090 0 1 GIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587162381 BPLMCCWIVQWXDS-HNNXBMFYSA-N 384.199 4.394 0 1 GIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(Cl)cnc2[nH]1 587199008 VRQMESXHKLPLDF-UHFFFAOYSA-N 377.835 4.137 0 1 GIAF COc1cc(OC)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587375671 FCYPPAIYHJCPPI-MRXNPFEDSA-N 392.249 4.063 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(CC(=O)O)c1)O2 587406295 FXFJPKDPBOEZMZ-XMMPIXPASA-N 387.435 4.113 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@H](CC(=O)O)CCC[C@@H]1c1ccccc1 587408606 QNFSSAGCQRFQQZ-XAEMIUIASA-N 379.456 4.340 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4ccc(F)cc4CCc4ncccc41)[C@@H](C2)C3=O 587427188 HOGRWLRTZBZWPK-CYFREDJKSA-N 387.410 4.019 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(N4CCC[C@@H](C)C4)ccc1N)[C@@H](C2)C3=O 587434554 APNJYPMSUWVFBA-PBPZHQAMSA-N 392.499 4.177 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cn(CC(=O)OC)c3ccccc13)CC2=O 587476220 QIWREHYCXQMIHP-NRFANRHFSA-N 393.439 4.179 0 1 GIAF CCn1ncc([C@]2(CC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587583695 WQRYIMAZGYJQFO-KNQAVFIVSA-N 378.428 4.184 0 1 GIAF Cc1ccc(C(=O)O)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605984 COIWYRDKYCHDKB-CVDCTZTESA-N 390.391 4.276 0 1 GIAF CC1(C)C[C@]2(CC[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587607436 IOFOTBHXHWXJIZ-ORHBMQHOSA-N 382.412 4.004 0 1 GIAF COCc1ccc(OC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587799975 CWJLJJYWRQGNAF-NSPYISDASA-N 394.284 4.367 0 1 GIAF COc1ccc2[nH]c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2n1 587802361 LRTZDVWTDNYFMD-NIVTXAMTSA-N 390.256 4.097 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2COC3(CCCCC3)O2)N1 587838440 BKDWNGOJJHSDIC-JDSLSITLSA-N 384.289 4.239 0 1 GIAF COc1cccc(C(=O)c2ccc(-c3nc4cc(C(=O)N(C)C)ccc4[nH]3)cc2)c1 587932113 MZTSATXWCFIXNM-UHFFFAOYSA-N 399.450 4.171 0 1 GIAF Cc1cccnc1[C@@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962915073 AGLZWJAYUBNRAX-UGKGYDQZSA-N 396.849 4.073 0 1 GIAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cn(-c2ccccc2)nc1C(=O)OC 963236218 XUARDIPTZZNQBS-UZUQRXQVSA-N 389.499 4.405 0 1 GIAF CC(=O)Oc1ccc([C@]2(c3ccc(F)c(F)c3)NCCc3ccc(O)cc32)cc1 963341573 MGUXSDUUJDRXFS-HSZRJFAPSA-N 395.405 4.033 0 1 GIAF CC(C)(C)n1nnnc1[C@@H](c1ccccc1)N1CCc2c([nH]c3ccccc23)C1 1857774958 MRZMMFQIMXBNEF-OAQYLSRUSA-N 386.503 4.057 0 1 GIAF COC(=O)[C@@H]1CC[C@H]2[C@]3(C=NC[C@H]13)[C@@H](OC(C)=O)C[C@H]1C(C)(C)CCC[C@]12C 2356579973 JMTFDESUPHRFIQ-MVZKQIFSSA-N 389.536 4.041 0 1 GIAF Cc1ccc2[nH]cc(CCCN3CCN(c4cccc5c4OCCO5)CC3)c2c1 13674832 LZFYLPRQFJAOOB-UHFFFAOYSA-N 391.515 4.002 0 1 GIAF O=C1Nc2cc(C(F)(F)F)ccc2[C@]1(O)c1cc(-c2ccccc2)ccc1O 29306842 PVJOSBMBOTXOFM-FQEVSTJZSA-N 385.341 4.266 0 1 GIAF CCCCNC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccc(F)cc1 40424123 LUIGISMOFJJLFP-NRFANRHFSA-N 386.467 4.300 0 1 GIAF O=C(Nc1ccccc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1 100106286 PGLOZKIMVPTPBQ-NUNAXRQHSA-N 387.458 4.464 0 1 GIAF C[C@H]1CC[C@@H](Oc2cccc(-c3nc4cc(C(=N)N)c(F)cc4[nH]3)c2O)CC1 100815039 PGCMJGUJHGYJLK-HAQNSBGRSA-N 382.439 4.316 0 1 GIAF CC[C@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1F 105179417 PKJZZLFLXHEXGD-XHSDSOJGSA-N 384.499 4.293 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc2ccccc2n1 167569938 VMIVJKGTYBXEHQ-HNAYVOBHSA-N 376.456 4.362 0 1 GIAF CS(=O)(=O)c1cc(C(=O)O)cc(NCc2ccccc2)c1Nc1ccccc1 169341370 WITPQGCVRQPKFH-UHFFFAOYSA-N 396.468 4.144 0 1 GIAF CC(C)COc1cc2nc(C[S@@](=O)CC3CC3)[nH]c2cc1Br 586960116 SIDUZYFZEMUQLS-QFIPXVFZSA-N 385.327 4.019 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc4ncc(Br)cc4o1)[C@@H](C2)C3=O 587416682 BZOOSBQEONGTFB-BBATYDOGSA-N 386.201 4.088 0 1 GIAF O=C1C[C@H](c2ccc(N3CCOCC3)cc2F)Oc2c1ccc1c2CCCC1 587503972 LIVAHBJEIBJTKT-JOCHJYFZSA-N 381.447 4.248 0 1 GIAF CCSc1ccc2c(c1)NC(=O)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587530807 FBHWYYASPDFGHV-JOCHJYFZSA-N 379.481 4.490 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587593937 GCJIMABVDDXUPG-RLDBSTLUSA-N 396.439 4.092 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2nsnc12 587618657 PKKAMFBBOOJBNK-OXJNMPFZSA-N 376.393 4.100 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C)(C)[C@H]1CC[C@@]2(C(=O)O)C1 587825682 HWFDYEKLZWGMOU-MEGNYISJSA-N 396.300 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2COc3ccccc3C2)N1 587837053 YZIXIVLHTRQECQ-CILWKZBWSA-N 376.269 4.415 0 1 GIAF COC(=O)c1ccc(C)c(-n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 587868813 UBOMYWTUVCHKGM-UHFFFAOYSA-N 391.349 4.057 0 1 GIAF Cc1ccccc1[C@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962922993 LMSLKXFQXQYADW-FCHUYYIVSA-N 375.424 4.181 0 1 GIAF O=C(O)CC[C@]1(c2ccc3c(c2)CCC3)c2ccc(F)cc2C[C@H]2CCCN21 963097589 GXFKOCORZARZER-QPPBQGQZSA-N 379.475 4.443 0 1 GIAF COc1ccc(-c2cc3c(c(OC)c2)SCCN(C(=O)C2CC2)C3)cc1OC 1772604578 HWCQHECYCWWERM-UHFFFAOYSA-N 399.512 4.224 0 1 GIAF O=C(N[C@H](Cn1ccnc1)C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 1857555125 YKMDZVOVJMQFFU-HSZRJFAPSA-N 395.462 4.232 0 1 GIAF COc1c2ccccc2nc2oc([C@@](C)(O)COC(=O)c3ccccc3)cc12 2145397 DFKBKICQSPXAQG-QFIPXVFZSA-N 377.396 4.054 0 1 GIAF biogenic CC(C)OC(=O)c1cn(S(=O)(=O)c2ccccc2)c2cc(Cl)ccc12 3649263 VGJAQDOOFNDDEH-UHFFFAOYSA-N 377.849 4.097 0 1 GIAF O=c1[nH]c(CCCN2CC=C(c3ccccc3)CC2)nc2cccc(Cl)c12 3820275 QJGMBDBIOLISMH-UHFFFAOYSA-N 379.891 4.298 0 1 GIAF Cc1nc(CCCCCC[C@H](O)c2ccccc2)n2nc(-n3ccnc3)ccc12 5891771 XNNDFZXOOZMWFV-NRFANRHFSA-N 389.503 4.450 0 1 GIAF COC(=O)[C@H]1Cc2c(C)cccc2CN1C(=O)C(c1ccccc1)c1ccccc1 13731592 TZLYIIRICXRTOF-HSZRJFAPSA-N 399.490 4.253 0 1 GIAF COc1cc([C@H]2c3ccc(O)cc3CCc3cc(O)cc(OC)c32)ccc1O 14660026 LOCDKOPDFUVBHW-QFIPXVFZSA-N 378.424 4.099 0 1 GIAF biogenic COc1ccc(Nc2nnc(SCc3ccc(F)c(F)c3)[nH]2)cc1OC 14964240 ZEHXHMKMTHWBQY-UHFFFAOYSA-N 378.404 4.136 0 1 GIAF Cc1cccc2[nH]c(-c3c(NC[C@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12 28703669 LOYHRPQPVDZCBA-KRWDZBQOSA-N 394.862 4.026 0 1 GIAF c1cnc(O[C@H]2CCN(c3ccc4ccccc4n3)C2)c(C2CCOCC2)c1 96168974 DAZDQGSMKCXMPT-IBGZPJMESA-N 375.472 4.182 0 1 GIAF CCN(c1cncnc1)c1cncc(NC(=O)c2cccc(Br)c2)c1 96175689 GVHZJTBZBASPQZ-UHFFFAOYSA-N 398.264 4.044 0 1 GIAF O=C(Nc1ccccc1F)N1[C@@H]2CNC[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1 100093595 FFTFHGSVEMNVGE-NUNAXRQHSA-N 387.458 4.464 0 1 GIAF CCN(Cc1cccnc1)c1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1 103301230 QLYOLCGMJBXHMJ-UHFFFAOYSA-N 387.483 4.012 0 1 GIAF COc1ccc(NC(=O)c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)cc1 166101805 RUVVNPZBQWMTMS-UHFFFAOYSA-N 387.439 4.495 0 1 GIAF CCC1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 169305207 JKLUVBIJEVVOTC-UHFFFAOYSA-N 393.534 4.099 0 1 GIAF CC(C)(C)OC(=O)NCCc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 200644722 QTBWTALFTSIKGQ-UHFFFAOYSA-N 381.476 4.302 0 1 GIAF O=C(O)c1cc(-c2nc(-c3ccc(F)cc3)c(-c3ccnc(O)c3)[nH]2)ccc1O 299831379 BPEJQPLHORRDRI-UHFFFAOYSA-N 391.358 4.054 0 1 GIAF Oc1ccc(C2(c3nc4cc(F)cc(Br)c4[nH]3)CCOCC2)cc1 586913925 VTLCYLULRJQRJN-UHFFFAOYSA-N 391.240 4.267 0 1 GIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(Cl)cc2[nH]1 586985622 WQOUUWBDKOSUEF-INIZCTEOSA-N 392.684 4.399 0 1 GIAF Clc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2c(Cl)n1 587007172 VZXPYGGTOBRUQP-UHFFFAOYSA-N 383.036 4.342 0 1 GIAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 587050649 ZDBHAHRBHMSGGL-UHFFFAOYSA-N 382.851 4.363 0 1 GIAF C[C@@H]1C[C@]2(CC[C@@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347519 BFMIRHLBNFICKA-NLXPMNHFSA-N 384.403 4.150 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ncccc3C2)[C@H]1c1ccc(F)cc1 587350084 WOORBFLUXPJLDB-JTHBVZDNSA-N 375.399 4.213 0 1 GIAF Cc1ccc2c(n1)NCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352373 XCGFCECROCPSLO-NFBKMPQASA-N 390.414 4.305 0 1 GIAF O=C1c2ccc(O)cc2OC2([C@@H]1c1ccc(F)cc1)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@H]1C[C@H]4[C@@H]3[C@H]12 587355209 TXTSJUMWGJETMA-RHUVOTNKSA-N 388.438 4.407 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(-c4ccccc4)c1Cl)[C@@H](C2)C3=O 587418370 ANAUVQSUXBVYIB-MGPUTAFESA-N 380.831 4.331 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(N)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587418875 DMTWMHUDBPCPKY-DYZYQPBXSA-N 383.753 4.438 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(N(C)C)cc1C(F)(F)F)[C@@H](C2)C3=O 587421258 ORZWLKZRWCOMPV-IFXJQAMLSA-N 377.362 4.269 0 1 GIAF CCn1cc(Br)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)n1 587500363 WLUSEODDDCWXIR-IBGZPJMESA-N 389.293 4.425 0 1 GIAF CCCCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587587892 QIUQLSRRZQNYOU-KNQAVFIVSA-N 376.412 4.228 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cncc(F)c2)(C2CC2)N1 587734426 RHZQNZMKVUAMPX-MLCYQJTMSA-N 379.248 4.310 0 1 GIAF Cc1ccc2nc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cn2c1 587771098 BKFFJQGBQUSGJE-CWTRNNRKSA-N 388.284 4.342 0 1 GIAF Cc1cc(C)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)n1 587771870 UIQRZJJRBGXHFH-VOJFVSQTSA-N 379.273 4.103 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(c2ccccn2)N1 587774262 VCNKOZHPBSHLQN-XCLFUZPHSA-N 398.279 4.204 0 1 GIAF CCC[C@]1(c2c[nH]c(C(=O)O)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795967 ZBKFNBMSQIDPEY-MLCYQJTMSA-N 395.272 4.192 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@]1(C)CC[C@H]2C1(C)C 587817557 MGADWBINPZIUPX-RDDSEIMKSA-N 380.301 4.343 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccccc3OC2)N1 587836420 UMTBNAOUCUJZDK-HXPMCKFVSA-N 376.269 4.343 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1cc(Cl)c(C)n1 587871547 ZIPJOPXMQHAUJY-GFCCVEGCSA-N 376.819 4.148 0 1 GIAF Cc1ccc(C(=O)C[C@@]2(c3ccco3)NCCc3ccc(F)c(C)c32)c(O)c1 962303167 VJVCFKZBBSAADG-QHCPKHFHSA-N 379.431 4.403 0 1 GIAF CCCC[C@@H](c1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 28886075 IEYSZWAZVZLXMA-QFIPXVFZSA-N 377.532 4.346 0 1 GIAF Cc1csc(CNc2ncnc3cc(-c4ccc5c(c4)OCO5)ccc23)n1 36382594 QXJNOPRWHUSWIX-UHFFFAOYSA-N 376.441 4.403 0 1 GIAF CCCC(=O)c1ccc(OC2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 40380283 FVEBILRIZNMCJN-UHFFFAOYSA-N 377.481 4.456 0 1 GIAF C[C@@H]1CCCN1CCCOc1ccc(-c2cc(-c3ccccn3)c(O)nn2)cc1 72116679 IUXXMWRCYIUEAV-QGZVFWFLSA-N 390.487 4.164 0 1 GIAF CCOC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1C 84587178 QEKKQKSAUFTIBW-UHFFFAOYSA-N 382.420 4.267 0 1 GIAF CCOC(=O)c1ncn2c1CN=C(c1ccc(C)cc1)c1cc(Cl)ccc1-2 95554911 QYBLXKYTJTYIPS-UHFFFAOYSA-N 379.847 4.362 0 1 GIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2nc3ccccc3s2)n1 142077903 HUSIHIHOMJMCJD-GXTWGEPZSA-N 383.477 4.241 0 1 GIAF CCn1ncc2cc(-c3nc4ccc(C(=O)O)cc4nc3N(C)C(C)C)ccc21 205431250 KHNRLWXEMUFQHA-UHFFFAOYSA-N 389.459 4.209 0 1 GIAF O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1 299823289 UICVBQLZHYDRFV-BUHFOSPRSA-N 386.407 4.289 0 1 GIAF Cc1ccc(-n2cnnc2SCc2nc3cc(Cl)cnc3[nH]2)cc1Cl 586967948 KDOXOCXNYISKEN-UHFFFAOYSA-N 391.287 4.446 0 1 GIAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc3nc(C)ccc3c2[nH]1 587067382 XERDNOQOCOROJG-UHFFFAOYSA-N 381.819 4.473 0 1 GIAF OC1(c2nc3ccc(F)c(Br)c3[nH]2)CCC(C(F)(F)F)CC1 587127144 SKNIUBSRBJPBKR-UHFFFAOYSA-N 381.167 4.405 0 1 GIAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(O)cc3[nH]2)c(C2CC2)n1 587230251 QMYHJASZOFFRSZ-UHFFFAOYSA-N 380.448 4.233 0 1 GIAF COC(=O)Nc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 587243008 ANLWUDNZWUABPQ-UHFFFAOYSA-N 381.617 4.219 0 1 GIAF Cc1c(C(=O)c2coc3ccccc23)nnn1Cc1ccc(Br)cc1 587280598 LPLHTPWIBZOUSU-UHFFFAOYSA-N 396.244 4.375 0 1 GIAF Cc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 587340163 SGDRCMAFYVSGJD-IRLDBZIGSA-N 378.403 4.212 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)([C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587476356 ORXQKFPTGNCIQQ-AVRDEDQJSA-N 389.492 4.468 0 1 GIAF CCn1cc(Cl)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587555024 ZBWLFZBCRZZFCT-UZLBHIALSA-N 384.819 4.139 0 1 GIAF O=C(Cc1nc(-c2ccccc2)cs1)n1ncc2ccc(Cl)cc2c1=O 587653808 LNIDOKDRMFYWFN-UHFFFAOYSA-N 381.844 4.056 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cncc(F)c2)(C2CC2)N1 587734422 RHZQNZMKVUAMPX-MGNBDDOMSA-N 379.248 4.310 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)[nH]c3ccccc23)N1 587804107 RBTDKYOFLMNDOY-XYZCENFISA-N 375.241 4.399 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc([S@@](C)=O)cc2)N1 587841098 PKRKLDGIZVPHOJ-SISPJPTFSA-N 396.325 4.123 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(C)c(C)c1 587867650 MBAPNZRXCANAIX-UHFFFAOYSA-N 375.350 4.278 0 1 GIAF CNc1cccc(CCCNc2cccc(CCCNc3ccccn3)n2)n1 653887558 PNCUMNLNRTVLNQ-UHFFFAOYSA-N 376.508 4.003 0 1 GIAF CCc1cc(OC)ccc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962691234 BTFROWWXZRXADL-MSOLQXFVSA-N 397.368 4.104 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cccc(-c3cccc(O)c3)c2)N1 963240138 YBLZLNPNEAKEMJ-ZEQRLZLVSA-N 396.446 4.296 0 1 GIAF Cc1nc2c(N3CCOCC3)nccn2c1NCc1ccc(-c2ccccc2)cc1 1772605632 SVTXVUXCWDKLRX-UHFFFAOYSA-N 399.498 4.153 0 1 GIAF C[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2Cl)C1=O 1857552787 BLXCYXQUSIEXTF-SFHVURJKSA-N 398.934 4.169 0 1 GIAF NC(=O)c1cc(-c2cccc(Cl)c2Cl)ccc1N[C@H]1CC[C@H](O)CC1 1857630311 JJWKLMBYQOWPDJ-JOCQHMNTSA-N 379.287 4.475 0 1 GIAF O=C(c1ccncc1)N1CCC2(CC1)CN(c1ccc(-c3ccccc3)cc1)C2 3955691 QBHJYLQCDGYYLK-UHFFFAOYSA-N 383.495 4.491 0 1 GIAF O=C(O)/C=C/c1ccc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 13493403 FPQQLJPHLGIPEL-OVCLIPMQSA-N 379.437 4.252 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(N(C)C)c3)cc2)C[C@@H]2CC[C@H]1N2C 28563335 GLJUXNMBHHRFQA-AFXVXQJMSA-N 378.516 4.159 0 1 GIAF COc1ccc([C@@H]2CC3(N(C)C)CC(=O)C2[C@H](c2ccc(OC)cc2)C3)cc1 34554740 WBXYNNSCFVZSCS-CQNRZJDLSA-N 379.500 4.254 0 1 GIAF CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c2oc(=O)cc([C@@H](O)CC)c2c1O 40423109 CCOHVVJBRSLHNZ-WFASDCNBSA-N 388.460 4.385 0 1 GIAF biogenic CC(C)CNC(=O)c1cccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 72185726 OTOLLQGSEVOVMI-HSZRJFAPSA-N 394.902 4.405 0 1 GIAF Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(/C=C2/C(=O)Nc3ccc(C)cc32)o1 95557871 HEZXILSWKCSFRJ-WOJGMQOQSA-N 398.418 4.119 0 1 GIAF COc1cc2ccc(=O)oc2cc1OCC(=O)c1ccc(Cl)c(Cl)c1 95587995 HQMNEDMIPMSULZ-UHFFFAOYSA-N 379.195 4.370 0 1 GIAF O=c1cc(O)n(CCC(c2ccccc2)c2ccccc2)c(=O)n1C1CCCC1 96270104 QCUIVGCWNHSYEE-UHFFFAOYSA-N 390.483 4.053 0 1 GIAF C[C@@H](Nc1c(Nc2ccnc(-c3ccccc3F)c2)c(=O)c1=O)c1ccccc1 100081671 QORWVTRTDZBDNT-CQSZACIVSA-N 387.414 4.400 0 1 GIAF CC(C)n1c2c(c3cc(S(=O)(=O)c4ccccc4)ccc31)[C@@H]1CC[C@@H](C2)N1 100632771 LFEAFGOATXWVAQ-KXBFYZLASA-N 380.513 4.404 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@@H]2CC[C@H]1N2C/C=C/C[18F] 102058052 FXIKVFNIIRHKBX-PNMOZHTDSA-N 395.303 4.084 0 1 GIAF CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccc(O)c(OC)c1 103212746 IQKKUEYECREODX-LJQANCHMSA-N 396.468 4.261 0 1 GIAF c1cc(-c2nc(OC[C@H]3CCCCN3)c3c4c(sc3n2)CCCC4)ccn1 223682640 QDNJAELNYCIBEV-OAHLLOKOSA-N 380.517 4.153 0 1 GIAF O=C1c2ccccc2NC(=O)[C@@H]2[C@@H]1[C@H](c1ccccc1)C[C@]2(O)c1ccccc1 254201662 UZEGZIRZTKQDJC-RHQSAMMMSA-N 383.447 4.129 0 1 GIAF COc1cc(-c2nc(-c3c[nH]c4cc(F)ccc34)cnc2O)cc(OC)c1OC 299831029 ISYMPXVGTFBLQG-UHFFFAOYSA-N 395.390 4.162 0 1 GIAF Cc1cc(Cc2nc3ccc(Br)nc3[nH]2)ccc1Br 586978078 WMYIWBNDHJBORV-UHFFFAOYSA-N 381.071 4.382 0 1 GIAF Cc1cnc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)nc2c1 587026943 NSQRFQQDNHTYTP-NJAFHUGGSA-N 380.517 4.403 0 1 GIAF Cc1c(-c2nc3nc(Br)c[nH]c-3n2)cc(-c2ccc(F)cc2)n1C 587166360 YFPQUQHWFWWEAC-UHFFFAOYSA-N 386.228 4.187 0 1 GIAF COc1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1Br 587375566 DOLLJVXGIQHSCM-GOSISDBHSA-N 376.250 4.229 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(F)ccc1O)[C@@H](C2)C3=O 587428808 PWFZJXFLQHYYAF-FDDCHVKYSA-N 376.383 4.231 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 587474809 HHBGMBZDPSAXIP-YEJXKQKISA-N 375.465 4.078 0 1 GIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc12 587508277 OLFMBFNLKZXQME-FQEVSTJZSA-N 387.357 4.397 0 1 GIAF COCCOc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587789438 BYBRRPCUVULDEW-CWTRNNRKSA-N 394.284 4.237 0 1 GIAF COCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587806576 KAHRHXVIIMGTBT-VOJFVSQTSA-N 380.257 4.195 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ncc[nH]2)(c2cccs2)N1 587852848 NNLKXJZSWUXNGB-DYZYQPBXSA-N 392.297 4.199 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1scnc1C 587866410 CGWNYVARYSTHMU-UHFFFAOYSA-N 381.379 4.421 0 1 GIAF CC(C)c1ccc([C@@]2(c3cccnc3)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962901880 ULQFOUGPRHZZKX-URXFXBBRSA-N 390.458 4.235 0 1 GIAF Cc1sc2c(c1C)CCN[C@]2(c1ccccc1)c1ccc(OCCN)cc1 963005182 DJTCSWIAZYTHTH-HSZRJFAPSA-N 378.541 4.140 0 1 GIAF O=C(O[C@@H]1CCCc2nc(Nc3ccc(Cl)cn3)sc21)n1ccnc1 1857649832 KVIGTEHIOZOPCL-GFCCVEGCSA-N 375.841 4.194 0 1 GIAF C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@@]43C)[C@@H]1CCC2=O 2356731637 UQHKLJJUIGLUKP-BJFYZAGBSA-N 388.504 4.295 0 1 GIAF O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CNc1ccccc1 13529345 YHTIQUARFRYUQD-NRFANRHFSA-N 375.468 4.354 0 1 GIAF CC(C)CC(CC(C)C)n1nc(CO)cc1-c1ccc(S(C)(=O)=O)cc1 13560521 OKYBZPNLFMRGQH-UHFFFAOYSA-N 378.538 4.079 0 1 GIAF O=C(c1cccc2ccccc12)N1CCN(Cc2ncc[nH]2)c2ccccc2C1 13803043 ILEJZWJHUAYCEQ-UHFFFAOYSA-N 382.467 4.226 0 1 GIAF O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCC[C@@H]1c1ccccc1)CC2 13981791 XMWPUEPUQVYCIC-DHIUTWEWSA-N 389.543 4.141 0 1 GIAF O[C@H]1CCN(Cc2ccc(F)cc2)C[C@@H]1N1[C@H]2CC[C@@H]1CC(c1ccccc1)C2 22938841 NFSPGABTRZUJES-LQNDFPKKSA-N 394.534 4.172 0 1 GIAF NC(=O)c1ccc2c(c1)nc(NCc1ccccc1F)n2CC1CCCCC1 49021261 YKTSIZVEIVPRIS-UHFFFAOYSA-N 380.467 4.467 0 1 GIAF O=C(NCC1CCCCC1)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2)n1 82072667 CLXONOJBIDFWFW-IBGZPJMESA-N 397.544 4.111 0 1 GIAF Cc1nn(C)c(Oc2ccccc2F)c1C(=O)N1CCCC[C@H]1c1cccnc1 95588397 AIXYWFIHNYBJKB-SFHVURJKSA-N 394.450 4.422 0 1 GIAF C[C@H](NC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccc(Cl)c(Cl)c1 96932404 OQNUJVVLNJYOPZ-QMMMGPOBSA-N 387.650 4.109 0 1 GIAF O=C1C[C@@H](c2cccc(Cl)c2)C(=O)N1CN1CCC(Cc2ccccc2)CC1 103155026 FSBLEBAPNHVGBH-NRFANRHFSA-N 396.918 4.095 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1C(F)(F)F 136436753 PWPMTRPKIXBNDI-WBVHZDCISA-N 397.393 4.280 0 1 GIAF CCN(CC)C(=O)[C@H]1CCCN(CC2=Cc3c(Cl)ccc(OC)c3CC2)C1 169324751 XLLSWAWHNJQLCP-KRWDZBQOSA-N 390.955 4.259 0 1 GIAF C[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)c1ccccc1N1CCCC[C@@H]1C 169359065 VRGPFBVTIGOXNH-IRXDYDNUSA-N 380.488 4.184 0 1 GIAF CC(C)(C)CNc1ncc(-c2ccnc(Nc3ccncc3)n2)c(CC2CC2)n1 203697500 ORNLELIBWAZVOJ-UHFFFAOYSA-N 389.507 4.483 0 1 GIAF Cc1ncc(-c2cc(=O)[nH]cc2C)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 209440809 XZGMCIWTCGCKNW-MJGOQNOKSA-N 398.466 4.179 0 1 GIAF O[C@H](CCC[N+]1=CC[C@](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 299854028 TVNNNRFMXOLHBK-NHCUHLMSSA-N 376.879 4.058 0 1 GIAF COc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(Br)cc3)[nH]n2)cc1 299863829 LQDCOVNKHCQSMA-NYYWCZLTSA-N 398.260 4.500 0 1 GIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(OC(C)C)cc3[nH]2)c1 586931251 ZICGJSRWSBWOSD-UHFFFAOYSA-N 387.505 4.048 0 1 GIAF Cc1cc(C)c2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1 586970340 XCTLHMMEJBBLJG-UHFFFAOYSA-N 380.429 4.251 0 1 GIAF O=C1C[C@@H](Cc2nc3ccc(F)cc3[nH]2)c2c(Br)cccc2O1 587004544 WIJGSCOPMVKGPH-SECBINFHSA-N 375.197 4.100 0 1 GIAF O=C(Nc1ccccc1Cl)c1nc2ncc(Br)c(Cl)c2[nH]1 587060451 MHIMKLPQPQMZFX-UHFFFAOYSA-N 386.036 4.280 0 1 GIAF Oc1nc(S)nc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587070441 IYOXCMVPKMWDOO-UHFFFAOYSA-N 384.848 4.247 0 1 GIAF COc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587183470 CPTNYKWLCDIMOZ-VMPITWQZSA-N 376.197 4.347 0 1 GIAF N=c1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c2ccccc2[nH]1 587253893 NMTNUXOKSCRZIR-UHFFFAOYSA-N 375.176 4.231 0 1 GIAF Nc1ccc2c(c1)[C@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333790 IDTCUOSETIPIOL-GMAHTHKFSA-N 391.398 4.150 0 1 GIAF COC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 587411792 KLBMXVRBMKFTTF-FQEVSTJZSA-N 377.396 4.330 0 1 GIAF COc1cc2c3c(c1)O[C@](C(=O)c1cccs1)(c1cccs1)[C@@H](C2)C3=O 587452689 STGQFWYNJOYKJF-RBZFPXEDSA-N 382.462 4.344 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccn(C)n1)CC2=O 587465495 DRHHQJQPKGQEJQ-QFIPXVFZSA-N 380.419 4.126 0 1 GIAF C[C@H](O)[C@]1(C2(C)CCCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611269 RUHNPQZUHAMCPN-YWBKXGLFSA-N 382.456 4.444 0 1 GIAF CCn1cc([C@]2(CC)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1 587757584 OWNFTTTUCKNPTR-ADLMAVQZSA-N 380.305 4.301 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N2CCCC[C@H]2C)N1 587761560 PWYFIUGIOWIKGW-VPZZIHKRSA-N 397.332 4.129 0 1 GIAF CCCn1ncc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587764813 RHXNZZIXCAIXLK-VOJFVSQTSA-N 380.305 4.301 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3cccc(O)c23)N1 587805240 SNCIEQZHFJPXFQ-NIVTXAMTSA-N 375.241 4.399 0 1 GIAF COc1ccc2c(c1)C[C@@H](c1nc3c(F)cnc(Br)c3[nH]1)CC2 587946014 IHCXTHSYGOHNBH-JTQLQIEISA-N 376.229 4.141 0 1 GIAF CCC[C@]1(c2cc3c(cc2N)OCCO3)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962955158 XRPCVWOVGAJXIE-IZHWHUGBSA-N 391.515 4.489 0 1 GIAF C(=C/c1ccccc1)\CN1CCN(CCCOCCCc2ccccc2)CC1 1857550023 QBRDAXMNYIKKBX-VGOFMYFVSA-N 378.560 4.357 0 1 GIAF CC(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)CC(C)C)[C@H]2[C@@](O)(C(C)C)CC[C@]21C 2356595137 UUULDBUYLVXHTP-XWZZJKMASA-N 380.525 4.029 0 1 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@H](OC(=O)C=C(C)C)CC[C@@H](C)[C@]12C 2356673018 FKWPXFLCFKOLLW-PZYLXZMFSA-N 388.460 4.319 0 1 GIAF COc1ccc2c(c1)[C@@H](n1c(C)ccc1C)C(=O)N2Cc1ccc(Cl)nc1 206029016 XAIUNXDZXCUHJH-HXUWFJFHSA-N 381.863 4.298 0 3 GIAF CN(C)C(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1cccc2ccccc12 4079750 DVAXTTZOVDLKQN-GGAORHGYSA-N 387.483 4.086 0 1 GIAF CN(CCCCc1c[nH]cn1)C(=O)C[C@@H](c1ccc(Cl)cc1)c1ccccn1 13490230 ZXXVRXKRXSJBCZ-FQEVSTJZSA-N 396.922 4.461 0 1 GIAF COc1cc2c(cc1O)O[C@@H]1c3c(cc4c(c3OC)C=CC(C)(C)O4)OC[C@H]21 14613210 CEAWIMABVSITMV-ASSNKEHSSA-N 382.412 4.203 0 1 GIAF biogenic O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCCc2ccccc21 21033633 PRXMGFKGGVZBTL-UHFFFAOYSA-N 380.469 4.361 0 1 GIAF COC(=O)CC1=C(Cc2ccccc2)C[C@H]2[C@@H](Cc3ccccc3)C[C@@H]1N2C 27409663 UPUHZXXATZMRQT-XWGVYQGASA-N 375.512 4.424 0 1 GIAF O=C(O)C(=O)CC(=O)c1cccc(OCc2cccc(Oc3ccccc3)c2)c1 28526085 DRLUXMQOMXGXMF-UHFFFAOYSA-N 390.391 4.284 0 1 GIAF COc1ccc(Nc2c(-c3ccc(S(C)(=O)=O)cc3)nc3ccccn23)cc1 40401382 UNTASYNLOXJHRQ-UHFFFAOYSA-N 393.468 4.157 0 1 GIAF O=C(c1ccc(Oc2ccc(Cl)cc2)cn1)N1CCCN(C2CCC2)CC1 53293510 VOEQTXBHEJPSGI-UHFFFAOYSA-N 385.895 4.228 0 1 GIAF O=C1COc2ccc(-c3cc(C(F)(F)F)nn3-c3ccccc3F)cc2N1 82153780 UVYDCAROMGQSPH-UHFFFAOYSA-N 377.297 4.028 0 1 GIAF CC[C@H](C)[C@H](Nc1nc(-c2ccc(C)cc2C)cs1)C(=O)NCCCOC 82195251 XBIBMIPOSMWSJN-KXBFYZLASA-N 389.565 4.406 0 1 GIAF O=C1C(=O)N(c2cccc3ccccc23)CCN1Cc1c(F)cccc1Cl 95566071 GMQNOEMLCJJHFO-UHFFFAOYSA-N 382.822 4.008 0 1 GIAF Fc1ccc(Nc2cn3c(-c4ccc(OC(F)F)cc4)nnc3cn2)cc1F 103303391 JCBPTHDURYGLBR-UHFFFAOYSA-N 389.312 4.415 0 1 GIAF Cn1ccc2cc(-c3nccnc3C3CN(c4ncc5ccccc5n4)C3)ccc21 140224731 VFTXFFMYYDXVSG-UHFFFAOYSA-N 392.466 4.182 0 1 GIAF OCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(Cl)cc1)[C@@H]23 169333637 RRXAVFYUKAUFBY-NMIHRBCNSA-N 376.972 4.177 0 1 GIAF C[C@H](CCC(=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@]21C 299845216 DGABKXLVXPYZII-CWELZQDOSA-N 392.580 4.478 0 1 GIAF Ic1cnc2[nH]c(CSCc3ccsc3)nc2c1 587026651 LYCLGLGVAKQQJR-UHFFFAOYSA-N 387.271 4.057 0 1 GIAF FC(F)(F)c1cncc(-c2nc3cccc(I)c3[nH]2)c1 587115177 HAXNHKMZELZRFK-UHFFFAOYSA-N 389.118 4.248 0 1 GIAF CCOC(=O)[C@@H]1CCC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348345 NTXPNZFZKCTOSX-ZFUCPZCZSA-N 398.430 4.382 0 1 GIAF C[C@]1(CC2(C(=O)O)CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352603 MUXIQCQZRDESOB-GHTZIAJQSA-N 384.403 4.294 0 1 GIAF CCOC(=O)[C@H](CC)[C@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587398731 HIEUFKOBUOEIBI-FDDCHVKYSA-N 397.471 4.036 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc4ccc(Br)cc4[nH]1)[C@@H](C2)C3=O 587419843 UMOJFPQOCJAWCX-DJJJIMSYSA-N 384.229 4.428 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(C(=O)O)[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O 587419879 FSLXOPCMHRBFBD-HXPMCKFVSA-N 383.787 4.017 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C[C@H](C)C(=O)O)(c1ccccc1F)CC2=O 587467948 VADRLMZLIQKJAU-XMHCIUCPSA-N 386.419 4.455 0 1 GIAF C[C@@]1(c2c(F)c[nH]c3nccc2-3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567786 FGVLHDJZHRLTGB-GCJKJVERSA-N 390.370 4.236 0 1 GIAF CCOC(=O)C(CC)(CC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596826 PITIYHGDKLRRLU-PGRDOPGGSA-N 398.455 4.482 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C[C@@H]2N=O 587742946 VDPMDMIPTADXIE-KTTLUUMZSA-N 375.241 4.057 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-n3ccnc3)c2)N1 587757462 VRZNETJROQUMBV-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3cn(C)nc23)N1 587759670 LXQMONUURPCRAA-JEOXALJRSA-N 388.284 4.273 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)N2CCCC[C@H]2C)N1 587761559 PWYFIUGIOWIKGW-VLXJIEOASA-N 397.332 4.129 0 1 GIAF CN(C)C(=O)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587781561 AEJXGRKKLHUYBB-UHFFFAOYSA-N 387.439 4.216 0 1 GIAF COc1cc(OC)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807617 KUAHVCFMHGNXBY-NSPYISDASA-N 394.284 4.403 0 1 GIAF CC[C@]1([C@@H](C(=O)OC)C(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587812361 YRLHNVLNCQSBGM-ONUMYQOESA-N 386.305 4.173 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](O)c3ccccc32)N1 587833362 NBCPMJCCMXVKNW-VMKIBOBSSA-N 376.269 4.193 0 1 GIAF C[C@H](O)Cc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587835105 UXVJBNURKMFENP-UFYHVXEKSA-N 378.285 4.135 0 1 GIAF Cc1cc(C(=O)O)sc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587845756 SCFNERBFBQXLAR-RMLUDKJBSA-N 384.270 4.280 0 1 GIAF COc1ccc(-c2ccc(-c3nc4cc5[nH]c(O)nc5cc4[nH]3)cc2)cc1OC 587929146 RSHAPOGVPPGVTF-UHFFFAOYSA-N 386.411 4.496 0 1 GIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587932852 ZUYSLNWAASHVPI-JDNHERCYSA-N 382.773 4.431 0 1 GIAF CCCCCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1cc(OC)ccc1OC 617964396 CDMHYXCJWUNNPM-HVESIFNPSA-N 378.494 4.070 0 1 GIAF C=CC(=O)OCCCc1cc(OC)c2oc(-c3ccc4c(c3)OCO4)cc2c1 1772619322 MKQXPWVDJOKJAN-UHFFFAOYSA-N 380.396 4.499 0 1 GIAF COc1cc(-c2[nH]nc3ncc(-c4ccc(F)cc4N)cc23)cc(OC)c1OC 1857544786 XXGDNXOPONRDOL-UHFFFAOYSA-N 394.406 4.039 0 1 GIAF CC[C@H](C)C(=O)O[C@@H]1CCC[C@@H]2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21 2356520005 VXDSGTRNDFHIJB-QZSBYOPDSA-N 392.536 4.029 0 1 GIAF C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)O 5015001 DHANXAPUOXTVQI-GFCCVEGCSA-N 389.864 4.065 0 3 GIAF COc1cc(O)c([C@H](CCN2CCCCC2)c2ccc3c(c2)OCO3)c(OC)c1 13661548 HSBWMLCASGEDSE-GOSISDBHSA-N 399.487 4.146 0 3 GIAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)N[C@H]2CCCC[C@@H]2O)cc1 773889 HFSFWDAOBGMTOI-OALUTQOASA-N 392.455 4.051 0 1 GIAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@@H]1C(=O)NCCCOC 4214605 KDHHIMJHGPAMFS-RTWAWAEBSA-N 390.524 4.252 0 1 GIAF O=C1Nc2ccccc2C(=O)[C@H]2[C@H]1[C@@](O)(c1ccccc1)C[C@H]2c1ccccc1 5956059 UZEGZIRZTKQDJC-XSARVHFWSA-N 383.447 4.129 0 1 GIAF C/C(=C\c1ccccc1)C(=O)NCc1ccc(C(=O)NCCc2ccccc2)cc1 6003630 JMYBQJVKWWYLAZ-CZIZESTLSA-N 398.506 4.379 0 1 GIAF O=C(NC[C@@H]1Cc2cccc(-c3ccncc3)c2O1)c1csc2c1CCCC2 11786368 AIGURZIJMUKKHV-KRWDZBQOSA-N 390.508 4.422 0 1 GIAF COc1ccc([C@H]2[C@H]([C@@H](O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 26145047 JBUUXMRKJQWOHR-HJOGWXRNSA-N 387.479 4.393 0 1 GIAF COc1cccc(-c2ccc3c(c2)C[C@@H]2OC(=O)[C@](C)(CCCCC(=N)N)[C@@H]32)c1 27432208 IHKFYTGOIRWQFJ-ODGPQVTHSA-N 392.499 4.430 0 1 GIAF CCCc1nc2c(C)ccnc2n1Cc1ccc(O[C@@H](CCC)C(=O)O)cc1 29337458 OCRZHCYMFUQPSM-SFHVURJKSA-N 381.476 4.373 0 1 GIAF COc1ccc([C@H]2CC3(N(C)C)C[C@H](c4ccc(OC)cc4)C2[C@H](O)C3)cc1 40812440 ZKWMIFWZIBHEBK-LXDQLMLUSA-N 381.516 4.046 0 1 GIAF CC(C)CCc1nc(C2=NS(=O)(=O)c3ccccc32)c(O)c2ccccc12 40875268 YMOTYJFZIJJXGX-UHFFFAOYSA-N 380.469 4.069 0 1 GIAF CN(CCCCC(=O)Nc1ccc(-c2cccnc2)cc1)CCc1ccccn1 45300447 DUPNVVSJHGJVRU-UHFFFAOYSA-N 388.515 4.427 0 1 GIAF COc1cccc([C@@H](N)c2ccc3sc(-c4ccnc(N)n4)c(C)c3c2)c1 49089730 LIRJSHARPOXCLR-LJQANCHMSA-N 376.485 4.306 0 1 GIAF CC[C@@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccc(F)cc1 82140907 WOELPXYAWAVPSG-HRCADAONSA-N 384.499 4.293 0 1 GIAF CC(C)c1nc2c(NCc3cccs3)ncnc2n1CCc1ccccn1 82178259 ZXOLGJYEJNEYAG-UHFFFAOYSA-N 378.505 4.261 0 1 GIAF CCCS(=O)(=O)c1ccc2[nH]c([C@@H]3CCO[C@H](c4ccccc4)C3)nc2c1 95574362 SEGIVIKFYDDEGE-UZLBHIALSA-N 384.501 4.382 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccccc1-n1ccnc1 100035915 PQSBDJPGIKFWMA-ASBZNUFUSA-N 395.459 4.074 0 1 GIAF O=C1CCCN1c1ccc(Oc2ccc3c(c2)CCN(C2CCCC2)CC3)nc1 103242296 WRENFFHFOGZEJN-UHFFFAOYSA-N 391.515 4.344 0 1 GIAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@H](C)NCc1ccccc1 114100449 CPONKKBYJGICCK-IBGZPJMESA-N 396.531 4.011 0 1 GIAF Cc1cc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)ccc1F 142567264 YKNPIQLETBLLNK-NYYWCZLTSA-N 396.443 4.014 0 1 GIAF CSc1nn(-c2ccccc2)c2cc(NC(=O)C[C@H]3CCCCN3)ccc12 149851467 KTIUNEPQPAYWAO-OAHLLOKOSA-N 380.517 4.218 0 1 GIAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(Cl)cc1 169723990 OQNMQRQHEXQGMT-DOTOQJQBSA-N 377.868 4.303 0 1 GIAF CC(C)(NC(=O)c1ccc(Cl)c(-c2cccc(Cl)c2)n1)c1ncon1 207730805 LODCAXDIIJLCJZ-UHFFFAOYSA-N 377.231 4.104 0 1 GIAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 586879470 IWUCGEBLTWNGAY-UHFFFAOYSA-N 399.406 4.234 0 1 GIAF Cc1ccc(-n2ccnc2SCc2nc3cc(C(=O)O)c(F)cc3[nH]2)c(C)c1 586966144 HFKCEYNLPHQSRF-UHFFFAOYSA-N 396.447 4.495 0 1 GIAF COc1cc(/C=C\c2nc3cc(C(=O)O)c(F)cc3[nH]2)ccc1Br 586978127 XQRYTJNWNCOMQB-HYXAFXHYSA-N 391.196 4.342 0 1 GIAF Cc1ncc(-c2nc3c(Br)ccnc3[nH]2)c(C)c1Br 586978752 FURGMCTXQKCZKL-UHFFFAOYSA-N 382.059 4.162 0 1 GIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)s1 587024023 ZTMUXNUCTNTLCD-UHFFFAOYSA-N 396.375 4.355 0 1 GIAF COC(=O)c1cc2[nH]c(-c3cn(-c4ccc(Cl)cc4)nc3C)nc2cc1OC 587076631 YALOPTIEYVCEAE-UHFFFAOYSA-N 396.834 4.173 0 1 GIAF Cc1ccc(C)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc12 587118499 OATJNXVLSWWYST-UHFFFAOYSA-N 387.203 4.400 0 1 GIAF Cc1c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587166083 MBEKRYVWPICHGJ-UHFFFAOYSA-N 376.435 4.385 0 1 GIAF COc1cncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587338277 NSJJUPXSDAJTOB-IRLDBZIGSA-N 379.387 4.209 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCCc3nc(O)ccc32)[C@@H]1c1ccc(F)cc1 587344920 HUQVVEPDCIZTIB-GGAORHGYSA-N 391.398 4.223 0 1 GIAF CCCC(=O)O[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348146 MTLHQOOMGOARCH-XOJPMGEXSA-N 386.419 4.381 0 1 GIAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1Br 587375043 BGWXOEHOOSBYLK-INIZCTEOSA-N 376.250 4.445 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3cc(Br)cc(F)c31)O2 587385839 GMHRUEWUQCWWLR-SFHVURJKSA-N 376.225 4.286 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC(F)(F)C(=O)O)c1)CC2=O 587464277 MZSKUNOICYQEFW-QGZVFWFLSA-N 392.354 4.107 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OCCN(C)C)c1)CC2=O 587469569 NTVPAQKBJNIZBC-HSZRJFAPSA-N 383.488 4.166 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C=C1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587799291 RRCQRAMKKHDXFE-BBEGDGIKSA-N 396.300 4.237 0 1 GIAF CC(=O)Oc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587807506 DDCSWEXFSANBOS-WYRIXSBYSA-N 392.268 4.311 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H](C(=O)O)C(C)(C)C2)N1 587825193 GJEASGVMHLCINF-QAMHXRKUSA-N 384.289 4.229 0 1 GIAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(F)c(Br)c3[nH]2)cc1 587936441 LHCDYBZKDWQXDL-XXFAHNHDSA-N 379.229 4.310 0 1 GIAF c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCCC3)CC2)c1 618012463 HNFGXOJDOGYGFK-UHFFFAOYSA-N 388.559 4.489 0 1 GIAF Fc1ccc([C@@]2(Cc3ccc(F)c(F)c3)NCCc3nc4ccccn4c32)cc1 962984945 OSCRKGPOCUPDAN-HSZRJFAPSA-N 393.412 4.384 0 1 GIAF CCOC(=O)/C=C/c1ccc(OC)c(O)c1/C=C/c1ccc(OC)c(OC)c1 1772628699 OTUSTZVDYUPAER-LMZONGNASA-N 384.428 4.165 0 1 GIAF CCC[S@@](=O)c1sc2nc(-c3cccs3)cc(C(=O)OCC)c2c1N 1772655103 GAZFYONUHWJNBP-RUZDIDTESA-N 394.543 4.301 0 1 GIAF C[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccc(F)cc3)=NN2C1=O 1857629898 MNQXMQHQMUJCQY-MGPLVRAMSA-N 389.224 4.047 0 1 GIAF COc1ccc(OC)c2c1C[C@@H]1c3cc(Cc4ccncc4)sc3CCN1C2 1857641979 NIOQYKKCRDLWFH-HXUWFJFHSA-N 392.524 4.407 0 1 GIAF CCO[C@@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 1857656068 CTWZMWYDKBXMDV-WMZOPIPTSA-N 392.835 4.111 0 1 GIAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@@H]1C(=O)c1occ(C)c1[C@@H]2OC(C)=O 2356559969 QJHPTOGFYPFVNS-KPPSXSMWSA-N 388.460 4.319 0 1 GIAF COc1ccc2nc(C[C@@H]3CN(CC4CCCCC4)CC[C@H]3CC(=O)O)[nH]c2c1 2356708298 KPOZWSVWGXFOMS-ZWKOTPCHSA-N 399.535 4.107 0 1 GIAF Cc1cc2nc(C3CCN(C[C@H]4COc5ccccc5O4)CC3)[nH]c2cc1C 4967396 AFVPSEWUXQUXPL-SFHVURJKSA-N 377.488 4.199 0 3 GIAF CCN(CC)C(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2383040 GNWBLLYJQXKPIP-FJORLLMFSA-N 388.596 4.334 0 1 GIAF COc1ccc2c(c1)CCc1c(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)noc1-2 2466035 ACSOCEKWTHPJOF-WNSKOXEYSA-N 380.488 4.490 0 1 GIAF CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCCCOC(C)C)cc21 3061161 JKBUWERXJPRLJR-UHFFFAOYSA-N 398.528 4.363 0 1 GIAF CC(C)(Nc1nc(NO)nc(Nc2ccc3ncsc3c2)n1)c1ccccc1 3943029 DOXJXXFTEWRETQ-UHFFFAOYSA-N 393.476 4.373 0 1 GIAF COc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@H]32)cc1OC 13471260 SNUBHAJWZFBQHA-HHEPJYPRSA-N 375.515 4.106 0 1 GIAF Cc1cc(C)cc(C(=O)c2c(C)n(CCN3CCOCC3)c3ccccc23)c1 13742554 WJZQMWAQQGXJQE-UHFFFAOYSA-N 376.500 4.130 0 1 GIAF COc1cccc(C(=O)N(C)CCCNc2ccnc3cc(Cl)ccc23)c1 35190754 GOPYHUYQPFOUFQ-UHFFFAOYSA-N 383.879 4.471 0 1 GIAF CC1(C)CC[C@@H]2N=C(CCCN3CC=C(c4ccccc4)CC3)NC(=O)[C@H]2C1 40540474 IIAWNEDZKNPAQI-SFTDATJTSA-N 379.548 4.279 0 1 GIAF CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN(C)C)c(Cl)c1 43074478 AAICVIMODTZYOT-UHFFFAOYSA-N 394.364 4.482 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl 61959269 HAQDEJPEAKWAAM-HIFRSBDPSA-N 384.259 4.178 0 1 GIAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3c(c(O)cc4c3COC4=O)C[C@@H]12 71318700 YHFZNBXTQFHWGR-TXKCWOHGSA-N 384.472 4.178 0 1 GIAF O=C(NCC1CC1)c1cnc(NCC2CCCCC2)nc1-c1ccc(F)cc1 82139634 QUHSJTJWWKAECX-UHFFFAOYSA-N 382.483 4.415 0 1 GIAF Fc1cccc(CNc2ncnc3c2nc(-c2ccoc2)n3C[C@@H]2CCCO2)c1 82181500 LTAHFLPNGUMFSU-KRWDZBQOSA-N 393.422 4.017 0 1 GIAF CCCCCNc1ncnc2c1nc(-c1ccc(C)o1)n2CC[C@@H]1CCCN1C 82186590 ZBDAFZQLOFWYNW-KRWDZBQOSA-N 396.539 4.481 0 1 GIAF CCN(CC)C(=O)[C@H](Oc1ccccc1-n1cccc1)c1ccc(OC)cc1 96168031 GLJREWMDZNICFV-JOCHJYFZSA-N 378.472 4.474 0 1 GIAF O=C(Nc1cc(F)cc2c(=O)cc(C(=O)O)oc12)c1ccc(Cl)c(Cl)c1 96271895 FKKZFNANBDRYQO-UHFFFAOYSA-N 396.157 4.189 0 1 GIAF CC[C@]1(C(=O)NCCc2ccc(Br)cc2)[C@@H](C)C1(Cl)Cl 103272534 RIDBZEQVJVKESF-QMTHXVAHSA-N 379.125 4.328 0 1 GIAF CO[P@](=O)(O)[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)c1ccco1 103295119 GFARVAJXNYGYAP-CQSZACIVSA-N 395.131 4.039 0 1 GIAF O=C(O)CCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccc(Cl)cc1)[C@@H]23 169333615 HEEDUXFXZMTTEC-RQGSJKACSA-N 390.955 4.270 0 1 GIAF CCC/C=C1/OC(=O)C2=C1CC[C@@H]1[C@H]2[C@]23C=CCC[C@@H]2[C@@]1(C(=O)CCC)OC3=O 238785861 IRKACHWWOSXIEC-XGJFJEPWSA-N 396.483 4.181 0 1 GIAF O=[S@@](Cc1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)CC1CC1 586960162 UFNUFFXEBRUYBN-OAQYLSRUSA-N 381.217 4.003 0 1 GIAF Cc1c(Br)cc2nc(-c3cnc(-c4cnn(C)c4)s3)[nH]c2c1C 587022411 YXCMKCPNZJAZSQ-UHFFFAOYSA-N 388.294 4.466 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(F)c(C)c3[nH]2)cc1 587042534 LOFUPLGJVNGALK-KRWDZBQOSA-N 385.464 4.297 0 1 GIAF CC(C)OC(=O)C1(c2nc3cccc(OC(F)(F)F)c3[nH]2)CC(F)(F)C1 587130795 ROKQSOSGWUOCPU-UHFFFAOYSA-N 378.297 4.080 0 1 GIAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc(F)cc3[nH]2)c1 587155464 ZBTHNSUZFVMMSF-UHFFFAOYSA-N 385.395 4.309 0 1 GIAF CCCOc1cc2c(cc1[C@@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)O[C@@H](C)C2 587455106 ITWBWGVKNGRZBD-OXHXPWTGSA-N 380.440 4.296 0 1 GIAF C[C@H]1CN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)C[C@@H](C)O1 587515124 QKMHXHGNEGCZFC-DMPWYTOCSA-N 392.499 4.281 0 1 GIAF O=C1C[C@]2(CC3(CCNCC3)Oc3ccccc32)Oc2c1ccc1c2CCCC1 587523001 GLDRJZYCDGUGJQ-RUZDIDTESA-N 389.495 4.331 0 1 GIAF CCn1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C2CC2)n1 587764137 OKIABGBHAGPEPY-MLCYQJTMSA-N 378.289 4.306 0 1 GIAF CC(=O)C[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587814270 SWNPORDZMYLAQY-CWTRNNRKSA-N 376.269 4.345 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(O)cc3C2)N1 587830483 CNUDPBAZEMDDEX-JEOXALJRSA-N 376.269 4.212 0 1 GIAF CC(=O)Nc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587850245 YCQRNCZXWDWVOU-VPTHRUTESA-N 383.286 4.232 0 1 GIAF NNC1=C[C@H](c2ccccc2)Cc2[nH]nc(Nc3cccc(C(F)(F)F)c3)c21 957624376 IWBIKVRAMDOAHS-ZDUSSCGKSA-N 385.393 4.316 0 1 GIAF Cc1sc2c(c1C)CCN[C@]2(c1cnc(N)s1)c1ccccc1Cl 963004240 BLRVZDWPAODEEW-SFHVURJKSA-N 375.950 4.495 0 1 GIAF CN(C)[C@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@@H]1c1cn(C)c2ccccc12 1772640607 NPQDXPQRBHDPNH-NHTMILBNSA-N 377.507 4.334 0 1 GIAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccccc3C(F)(F)F)CC2)c1 1857752437 WFGCWDROXSABTJ-UHFFFAOYSA-N 394.466 4.236 0 1 GIAF CCCN1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccc(F)cc1F 1911577135 FWRCLGAZLSVVCN-GOSISDBHSA-N 395.247 4.481 0 1 GIAF CCC[C@@H](/C=C/S(=O)(=O)c1ccccc1)NC(=O)c1cccc2cccnc12 1911579082 JBUPPOGVDRXGOF-ZWFBASDOSA-N 394.496 4.121 0 1 GIAF O=C(O)C[C@@H]1CCN(C2CCC(F)(F)CC2)C[C@H]1Cc1nc2ccccc2[nH]1 2356309712 GOMHTPLPWCVBEK-LSDHHAIUSA-N 391.462 4.096 0 1 GIAF C[C@H](Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)N1c2ccccc2C[C@@H]1C 3446311 BWAGUYHGOJSUMU-HOTGVXAUSA-N 390.439 4.277 0 3 GIAF Cc1cccc(-c2nc(CN3CCC[C@H](C(=O)NC4CCCC4)C3)c(C)o2)c1 4035754 YOOUEBANHAONTL-IBGZPJMESA-N 381.520 4.229 0 3 GIAF Cc1sc2nc3c(C(=O)NC4CCCCCCC4)cccn3c(=O)c2c1C 2601963 NFRFBZDMJYFHBG-UHFFFAOYSA-N 383.517 4.369 0 1 GIAF C[C@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4051507 GYYGGNFFYYLXPU-JBYOLUDKSA-N 378.403 4.388 0 1 GIAF O=c1cc(-c2ccccc2)oc2cccc(OCCCCN3CCC(O)CC3)c12 12356284 NIXHGJLLEYNHAV-UHFFFAOYSA-N 393.483 4.076 0 1 GIAF COc1c(-c2ccc(OCC=C(C)C)cc2)oc2c(OC)c(O)cc(O)c2c1=O 14779894 LDRUYSCHJOJOIO-UHFFFAOYSA-N 398.411 4.233 0 1 GIAF biogenic CCc1c(C)[nH]c2c1C(=O)[C@@H](CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2 27108937 GWVOHCYMSGOUCP-GOSISDBHSA-N 396.506 4.365 0 1 GIAF CC[C@](O)(NC1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1 28707261 CIGKRUOWOUHAPV-RUZDIDTESA-N 388.511 4.289 0 1 GIAF COc1cc(OC)c([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2=O)cc1OC 40380278 FHQIUPHJETXRLG-INIZCTEOSA-N 396.439 4.256 0 1 GIAF biogenic,in-vivo COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)NC(C)(C)C)CC2 42890540 ANMMHMXTOIAIFA-FQEVSTJZSA-N 386.467 4.299 0 1 GIAF CC(=O)Nc1ccc(CN2C(=N)[C@]3(CC(C)(C)Oc4ccccc43)OC2=O)cc1 45299295 NLLIDVRDRWGJNX-JOCHJYFZSA-N 393.443 4.031 0 1 GIAF Cc1cc(-c2cnc(N)c(-c3ccc(N4CCN(C)CC4)cc3)c2)cc(C)c1O 45303093 USYVDEUJHKKOLX-UHFFFAOYSA-N 388.515 4.072 0 1 GIAF CN(C)C(=O)Cc1ccc(-c2cccc3c(Nc4cccc(O)c4)nncc23)cc1 73195760 WAELXRGEOHDVCQ-UHFFFAOYSA-N 398.466 4.377 0 1 GIAF CCc1ccccc1-n1nc(C(F)(F)F)cc1-c1ccc2c(c1)NC(=O)CO2 73197626 ZOGCMGCETZMJHG-UHFFFAOYSA-N 387.361 4.451 0 1 GIAF Cc1ccccc1-n1c(C)nc2cc(NC(=O)c3cccs3)ccc2c1=O 73298244 MJXIMMCWPLSXOL-UHFFFAOYSA-N 375.453 4.316 0 1 GIAF CCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cc(Cl)c(OC)cc2c1=O 95557567 MAJRCKHUMZMTPA-UHFFFAOYSA-N 387.819 4.042 0 1 GIAF CCOC(=O)[C@H](C)Oc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 95560859 PWFDXCQYDBDNBC-INIZCTEOSA-N 393.439 4.188 0 1 GIAF COC(=O)C1=CCCC[C@H]1C1=C(C)C2=Cc3c(C)cc(C)n3[B-](F)(F)[N+]2=C1C 194829846 GGATZAVACGXIRQ-MRXNPFEDSA-N 386.251 4.385 0 1 GIAF COC(=O)[C@]1(/C=C2/c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 299813872 VVOONWVRIYRRAY-AMQDRANVSA-N 380.415 4.264 0 1 GIAF NC(=O)c1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587109630 IDOXITWXYCPAOD-UHFFFAOYSA-N 387.283 4.290 0 1 GIAF N=C(N)c1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2c1 587138689 QEUSXBAUJYNNFN-UHFFFAOYSA-N 392.365 4.157 0 1 GIAF COc1cc(N)ccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341747 ZXOHVNSWFLYJMK-FYYLOGMGSA-N 393.414 4.396 0 1 GIAF COC(=O)C[C@@]1(c2ccc(C(C)(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587398743 HLFQMJADOPLWBX-HSZRJFAPSA-N 381.472 4.299 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ncc(Br)cc1Cl)[C@@H](C2)C3=O 587418339 OWMONKPRCWOEHW-GTNSWQLSSA-N 394.652 4.169 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1-c1ccccc1OC)CC2=O 587477108 UOHGEUAXCACNSU-NRFANRHFSA-N 392.455 4.460 0 1 GIAF CCn1nc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587578471 AFNCGASBFVNECS-KNQAVFIVSA-N 378.428 4.102 0 1 GIAF COc1cc(Br)cc([C@@H]2NCC(C)(C)c3ccc4c(c32)OCO4)c1 963391614 VQPKIHRGRUTZGN-KRWDZBQOSA-N 390.277 4.157 0 1 GIAF COc1cccc(CC[C@H]2CN(Cc3ncn4ccccc34)CCC2(F)F)c1 1772582756 GZQHEKINQXIFNJ-SFHVURJKSA-N 385.458 4.433 0 1 GIAF CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@@H]1c1ccco1 1857581226 BIFOEFHLFLMIBN-CQSZACIVSA-N 377.322 4.024 0 1 GIAF COc1cc(-c2nn(C)c(N)c2-c2ccc(SC)cc2)cc(OC)c1OC 1857773432 WYWIQFAXHKPACX-UHFFFAOYSA-N 385.489 4.084 0 1 GIAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H](COc1ccc3ccc(=O)oc3c1)[C@]2(C)O 2356483177 ZMOPWHIELRYMND-FQWSXGTCSA-N 398.499 4.344 0 1 GIAF CCC=C(C)[C@H](O)[C@@H](C)C=C(C)C=CC=CC=CC=C(C)C(=O)N[C@H](C)CO 2356508784 QGJPEZISMDKYLK-ZRBLBEILSA-N 387.564 4.398 0 1 GIAF C[C@H](O)[C@@H](O)[C@@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356562128 OITVHTCHWCAWMR-SKPFHBQLSA-N 376.496 4.373 0 1 GIAF CCOC(=O)c1oc2cccc(OCCCNCc3cccnc3)c2c1CC 5847311 JMQTXYVAPRXHMV-UHFFFAOYSA-N 382.460 4.126 0 1 GIAF O=C(OC1CCCCC1)c1ncn2c1[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1-2 13828264 XIKOBWCKVKGTIK-KRWDZBQOSA-N 399.878 4.306 0 1 GIAF COc1cccc2c1-c1ccc(N(C)S(C)(=O)=O)cc1[C@H](c1ccccc1)O2 26180678 WWJZOFGIUZFPHR-QFIPXVFZSA-N 395.480 4.240 0 1 GIAF CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=CC[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 26378297 WHOSSWGCARIJDM-BKKCLAKSSA-N 392.536 4.029 0 1 GIAF CC[C@H](C)N(C[C@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC 27709679 YNGZJSALRCLELM-GJJHYRHESA-N 380.960 4.091 0 1 GIAF COc1ccc(-c2nc([S@@](=O)C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1 28219794 PSYWEEGGSPUNBL-MHZLTWQESA-N 396.390 4.388 0 1 GIAF CC(C)(CCCN1CCC[C@@H](C(F)(F)F)C1)S(=O)(=O)c1ccccc1 28571553 DPCAHAOUMBAXKR-OAHLLOKOSA-N 377.472 4.293 0 1 GIAF O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCc3c(Cl)cccc31)CC2 28886359 PHIUGKIKOMWSRX-OAQYLSRUSA-N 395.934 4.146 0 1 GIAF O=C(NCC[S@](=O)Cc1cccc(Cl)c1)c1c(Cl)cccc1Cl 49853515 UHUTVVXBGZDUGN-HSZRJFAPSA-N 390.719 4.326 0 1 GIAF CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC(=O)/C=C/c1cccs1 66259082 VTXVOGLPYWYLGQ-IWHGQQBYSA-N 382.437 4.193 0 1 GIAF c1ccc(CNc2ncnc3c2nc(-c2ccsc2)n3C[C@H]2CCCO2)cc1 82178428 RKLVBACKJAZNON-QGZVFWFLSA-N 391.500 4.346 0 1 GIAF Cc1nc(C(=O)Nc2cccc(C(F)(F)F)n2)c(C)n1-c1ccc(F)cc1 95602220 ADBAFBGWAUYPGA-UHFFFAOYSA-N 378.329 4.294 0 1 GIAF Cc1nc2cccnc2n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](CO)c1ccccc1 103260352 GKQIYVJWLKSHOW-YUMYIRISSA-N 390.531 4.074 0 1 GIAF Cc1csc(-c2cnn3c(=O)cc(-c4ccc(Cl)c(Cl)c4)[nH]c23)n1 142758408 JQVRPQQKFVOTBT-UHFFFAOYSA-N 377.256 4.428 0 1 GIAF COc1cccc(C(=O)[C@H]2C[C@@H]2CN(Cc2cccnc2)Cc2cccnc2)c1 230567577 FMXCBMMVHHAXQP-GGAORHGYSA-N 387.483 4.006 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccccc3C(C)=O)cc2)C[C@H]2CC[C@H]1N2C 253633275 IKFLALJPMIMFEC-HWHRFOGPSA-N 377.484 4.296 0 1 GIAF C[C@@H](Sc1nnc(-c2ccncc2)s1)C(=O)NCc1ccccc1Cl 473100612 IKUJVQNPQYWPKC-LLVKDONJSA-N 390.921 4.051 0 1 GIAF O=S(=O)(c1ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2c1)C(F)(F)F 586898089 LLFAISMAERJYHE-UHFFFAOYSA-N 396.390 4.108 0 1 GIAF Brc1cncc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587016266 SYKFJSSSGIKPOJ-UHFFFAOYSA-N 399.273 4.446 0 1 GIAF Cc1nc(-c2c[nH]cc2-c2nc3c(F)cnc(Br)c3[nH]2)cs1 587020977 GFODJAXGFXTBRK-UHFFFAOYSA-N 378.230 4.287 0 1 GIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cnc(Br)cc3[nH]2)s1 587022856 AOXYYUNPCSRHBG-UHFFFAOYSA-N 396.270 4.191 0 1 GIAF COc1c(F)ccc(F)c1-c1nc2ccc(I)cc2[nH]1 587133358 UQSGQLFVWLKRAI-UHFFFAOYSA-N 386.139 4.121 0 1 GIAF N[C@]1(c2nc3cc(Cl)cc(Br)c3[nH]2)C[C@@H]1c1ccccc1F 587154354 DQLKYUQNMZUSLW-QLJPJBMISA-N 380.648 4.459 0 1 GIAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587162737 CYFAHPFRVSUPMR-OAQYLSRUSA-N 375.451 4.184 0 1 GIAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 587163224 IZKIQCDQYUFVCV-ZDUSSCGKSA-N 383.652 4.164 0 1 GIAF CC(C)Oc1cc2[nH]c(-c3cccnc3N(C)C)nc2cc1Br 587196202 SKPJRYXUEYELMI-UHFFFAOYSA-N 375.270 4.241 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(-c3ccc4ccccc4c3N)[nH]c2c1 587254244 XOMKSWVEYXHEMV-UHFFFAOYSA-N 394.500 4.044 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CC[C@H](OCc4ccccc4)C[C@@H]1F)[C@@H](C2)C3=O 587424725 SYLQZOFKGSGSCN-DMKCZBPRSA-N 382.431 4.289 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccco1)(c1oc4ccccc4c1N)[C@@H](C2)C3=O 587434112 RJTACBIXTLIGPL-NPMXOYFQSA-N 387.391 4.308 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN(C)C)cc2)N1 587741806 PFZWEORJGKAWSA-CWTRNNRKSA-N 377.301 4.273 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1ccnc(-c3ccncc3)c1)N(C)[C@H](C)C2 962560635 CZDPMNFWEVGHNT-IQMFZBJNSA-N 375.472 4.127 0 1 GIAF c1ccc(N2CCN3[C@@H](Cc4ccccc4[C@]34CCCc3ccncc34)C2)cc1 962624683 FEIOCMQAVSEAGF-OZXSUGGESA-N 381.523 4.408 0 1 GIAF CC(C)n1cc(C(=O)c2ccnc(NC(=O)Cc3ccccc3)c2)c2cnccc21 1772571715 WMJDPMTUZQCMRU-UHFFFAOYSA-N 398.466 4.424 0 1 GIAF CCC(=O)Nc1ccc(OC)c(Nc2cc(-c3cnc(SC)[nH]3)ccn2)c1 1772599913 WTNGOBFGOVXAFX-UHFFFAOYSA-N 383.477 4.294 0 1 GIAF Cc1cc(C)c(C(=O)N[C@H]2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)[nH]1 12718614 DPJJCCZSJLQMNE-SFHVURJKSA-N 380.467 4.400 0 3 GIAF Cn1nnnc1Sc1ncnc2scc(-c3ccccc3C(F)(F)F)c12 36380177 PPVZUZPOOWQBMA-UHFFFAOYSA-N 394.407 4.052 0 3 GIAF COCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(Cl)cc1F 2483269 HNSHTMUHTNJNAC-UHFFFAOYSA-N 392.789 4.316 0 1 GIAF O=C(c1cccc2ccccc12)N1CCN(CCc2c[nH]cn2)c2ccccc2C1 13803033 SQBNUDROYGKDSB-UHFFFAOYSA-N 396.494 4.268 0 1 GIAF Cn1cnc(NCc2ccncc2)c1C(=O)Nc1ccc(Cc2ccccc2)cc1 28889218 CEIJGXADGDLWQX-UHFFFAOYSA-N 397.482 4.270 0 1 GIAF COc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)c1c[nH]nc1-2 45316650 LBVVYWGDDDAFQK-NSHDSACASA-N 389.864 4.009 0 1 GIAF COc1cc(OC)c2c(c1)C(=O)N1c3ccccc3-c3ccnc4[nH]cc(c34)[C@@H]21 45335925 RMVYEGBVPLJPRH-NRFANRHFSA-N 383.407 4.310 0 1 GIAF COCCn1cnc2c1C(=O)N(c1ccccc1)c1cc(Cl)ccc1N2C 66258507 XPUCGGHVMMROBL-UHFFFAOYSA-N 382.851 4.243 0 1 GIAF CC(=O)O[C@H]1C=CC(=O)O[C@@H]1c1nc(-c2ccccc2)oc1-c1ccccc1 72114243 WGOOAVHRNDPOLN-UWJYYQICSA-N 375.380 4.094 0 1 GIAF COC(=O)[C@@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@H]1O2 100796002 IXQQMWIAXLMOHP-ZRNYENFQSA-N 388.410 4.180 0 1 GIAF NCc1ccc2c(c1)CN(C(=O)Nc1ccc(NC(=O)CC3CCCC3)cc1)C2 166102194 AJCBDYIXXMBXIP-UHFFFAOYSA-N 392.503 4.212 0 1 GIAF CC[C@H]1C(=O)C[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@H]1c1ccccc1 195411105 UWPNKBCSKDRBJI-IMSXRSKXSA-N 387.483 4.193 0 1 GIAF CC(=O)N1CCC(c2cncc(N3C(=O)c4ccc(Cl)cc4C3(C)C)c2)CC1 223991643 GMNZCVZZSNWJNB-UHFFFAOYSA-N 397.906 4.356 0 1 GIAF COc1cc(OCC=C(C)C)c(Br)cc1/C=C1\SC(=O)NC1=O 299838762 NUNFUWKGWCLZFY-AUWJEWJLSA-N 398.278 4.127 0 1 GIAF CC1CCC(NC(=O)c2cc3ccccc3n(Cc3ccc(F)cc3)c2=O)CC1 299862765 NWYGVNMVIYNQSO-UHFFFAOYSA-N 392.474 4.497 0 1 GIAF COc1cc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2cc1F 586922383 UGQBSDFWPOOGRC-UHFFFAOYSA-N 396.443 4.352 0 1 GIAF O=C(O)CSc1ncccc1-c1nc2c(Br)cc(Cl)cc2[nH]1 586967485 ZJSDYCKWEHXEIL-UHFFFAOYSA-N 398.669 4.218 0 1 GIAF O=C(Nc1nc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)cs1)c1cccs1 587019919 SKLSEWPHJOTDGT-UHFFFAOYSA-N 394.403 4.341 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Br)nc2[nH]1 587078715 AFFWTFXEJJDALA-NSHDSACASA-N 390.672 4.098 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3cc(Cl)c(F)cc3[nH]2)C(F)(F)F)n1 587094073 JGWUVZNINUOZLL-ZDUSSCGKSA-N 379.766 4.113 0 1 GIAF O=C(O)c1cc2c(nc1O)CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587107491 SOHPFPOWGUYHBR-UHFFFAOYSA-N 394.386 4.011 0 1 GIAF CC(C)COC(=O)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353310 YRWWRLOISFZVCZ-IRLDBZIGSA-N 386.419 4.238 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1nc4cc(C(F)(F)F)ccc4n1C)[C@@H](C2)C3=O 587423615 UFFNLCJPSOURSN-KPZWWZAWSA-N 388.345 4.089 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccccc4)Nc4ccccc41)[C@@H](C2)C3=O 587442885 ZOERBDJBMNOVOJ-FKRCVWNDSA-N 397.430 4.074 0 1 GIAF COc1cc2c3c(c1)O[C@]1([C@H](CC(=O)O)CCC[C@@H]1c1ccccc1)[C@@H](C2)C3=O 587448264 BWAGLQYBXVNRQH-DOGKRZLPSA-N 392.451 4.240 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cn(-c2ccccc2)cn1 587579245 TZYDSNYNSLZVMY-OFNKIYASSA-N 384.391 4.281 0 1 GIAF CC[C@]1(c2ccc(O)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594617 OZGFJNLTVWCUTB-NFBKMPQASA-N 392.407 4.374 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C[C@H]1C)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596860 PNSICPAKQUDWLV-NSQWWGABSA-N 396.439 4.092 0 1 GIAF C[C@@]1(c2ccc(C(=O)O)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613255 NMBRPTXUQDBJIL-JXFKEZNVSA-N 382.393 4.029 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2[C@@H]1CCOC1 587619677 YOBVIJHQSKDYLS-OCZPFTLSSA-N 380.440 4.319 0 1 GIAF COCOc1ccccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587809141 QVCOKQRTBVTIBO-BUXKBTBVSA-N 394.284 4.369 0 1 GIAF CCOC(=O)c1ccsc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587844088 LZPRXFOZPNCLDU-RFAUZJTJSA-N 398.297 4.450 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2cccs2)(C(=O)O)N1 587854831 UFZYVZCRDJAHBV-UXBYCXADSA-N 396.281 4.177 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nccnc1C1CCC1 587867865 DBSWWGXNOTYSMC-UHFFFAOYSA-N 375.354 4.019 0 1 GIAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587960781 BPKLOZFXJXFDNO-YUMQZZPRSA-N 391.187 4.382 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@H](c2ccnc(Cl)c2Cl)N1)C(F)(F)F 962720184 ZDQRBODOEUWMOO-WCQYABFASA-N 375.177 4.124 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](c2ccsc2)(c2ccc(F)cc2F)N1 962892592 DFDFVSXVGPNREQ-FXAWDEMLSA-N 389.398 4.056 0 1 GIAF O=C(CC[C@]1(c2ccccc2)NCCc2nc3ccccn3c21)c1ccccc1 962985586 QBUBNKWVABFDNC-RUZDIDTESA-N 381.479 4.387 0 1 GIAF Cc1sc2c(c1C)CCN[C@]2(CC(=O)C(F)(F)F)c1ccc2c(c1)OCO2 963008084 JDJWTXXWLFSOCE-GOSISDBHSA-N 397.418 4.004 0 1 GIAF O=C(O)c1cc(Br)c([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)s1 963097878 ICTFAGUJCXBSAB-IAQYHMDHSA-N 396.281 4.458 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]2(C)c1cnc(Nc2cccnc2)s1 963269385 IWHWUKCTXALOBM-IBGZPJMESA-N 386.908 4.353 0 1 GIAF CC[C@H](NC(=O)c1cnc(O)c2cccnc12)c1ccc(OC(F)(F)F)cc1 1772573870 PLRGRUBUNQOANK-HNNXBMFYSA-N 391.349 4.115 0 1 GIAF COc1ccc(OC)c2c1C[C@H]1c3cc(CN4CCCC4)sc3CCN1C2 1857747617 QEJGJMJVTXHNOT-IBGZPJMESA-N 384.545 4.017 0 1 GIAF COc1ccc(Cl)cc1N1C(=O)[C@@H]2CCCN2[C@@H]1c1ccc(F)c(F)c1 169364041 BBNANEGZNRVYTF-YJBOKZPZSA-N 378.806 4.137 0 3 GIAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCN(C)Cc3ccccc32)cc1 13757947 LCZBEJCSSJBERR-UHFFFAOYSA-N 399.494 4.340 0 1 GIAF COc1cc2c(c(O)c1Cc1ccccc1O)C(=O)C[C@H](c1ccccc1)O2 14558317 CTWWMDVPBXRLBM-LJQANCHMSA-N 376.408 4.404 0 1 GIAF biogenic CCCCc1c(OC(C)=O)c2cccnc2n(-c2ccc(SC)cc2)c1=O 26259547 JSRSSXMVQMOIRO-UHFFFAOYSA-N 382.485 4.376 0 1 GIAF Brc1ccccc1-c1nnc2c3ccccc3c(N3CCCC3)nn12 33891513 NVJDXRIKVCJSIE-UHFFFAOYSA-N 394.276 4.307 0 1 GIAF COC(=O)C[C@@H](c1ccccc1)[C@H](C(=O)N(C(C)C)C(C)C)c1ccccn1 34987613 WOGRFKYSUMJXDZ-UGKGYDQZSA-N 382.504 4.158 0 1 GIAF COc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1[C@]21OC(=O)c2ccccc21 40567283 ZCBFBAGBQZGXDE-HSZRJFAPSA-N 388.375 4.189 0 1 GIAF Cc1cncn1CCCn1c(=S)[nH]c2sc(Cc3ccccc3)cc2c1=O 43200983 BJRCKWGSNLJJTB-UHFFFAOYSA-N 396.541 4.307 0 1 GIAF NC(=O)C1(c2cccc(Sc3ccc(-n4cccc4)cc3)c2)CCOCC1 45358227 WWEUNQGTOVRLOQ-UHFFFAOYSA-N 378.497 4.162 0 1 GIAF CCOC(=O)c1c(-c2cccc(C(F)(F)F)c2)[nH]c2cccc(OC)c2c1=O 49069215 WQEOGUGEZKORRN-UHFFFAOYSA-N 391.345 4.399 0 1 GIAF O=C(O)Cn1c(C(=O)c2ccc(Oc3ccccc3)cc2)cc2cc(O)ccc21 66079153 NYTPVHJBAUALTO-UHFFFAOYSA-N 387.391 4.455 0 1 GIAF CCc1ccc(CCNc2cc(-c3ccc(OC)c(OC)c3OC)ncn2)cc1 82162167 GQDGOTBVNPOKRV-UHFFFAOYSA-N 393.487 4.386 0 1 GIAF CCCc1nc2c(NCc3ccccc3C)ncnc2n1CCN1CCCCC1 82180469 OEBSLLBCPXDSPK-UHFFFAOYSA-N 392.551 4.185 0 1 GIAF COc1ccc(Oc2c(Cl)cnn(Cc3cccc4ncccc34)c2=O)cc1 95598014 NBCKYAGICNXDRV-UHFFFAOYSA-N 393.830 4.294 0 1 GIAF O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1[C@@H]2CC[C@@H]1CC(c1ccccc1)C2 101492567 NFSPGABTRZUJES-ZGFBMJKBSA-N 394.534 4.172 0 1 GIAF O[C@H](CNc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)c1ccccc1 103261262 YSISJMHDRCZXGQ-QGZVFWFLSA-N 375.350 4.188 0 1 GIAF CCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1OC(F)F 104115912 LDQQYZZTDUCYCD-VZHUHSAUSA-N 378.379 4.161 0 1 GIAF FC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCOCC4)nn23)c1 113132442 DUTVOUPYCMQLHV-UHFFFAOYSA-N 392.381 4.133 0 1 GIAF CN1CCC[C@](NC(=O)c2ccc(C(F)(F)F)cc2F)(c2ccccc2)C1 169335866 AOWDALJRPQJRED-LJQANCHMSA-N 380.385 4.195 0 1 GIAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2C2CCCCC2)c1 169706970 SZCLCGVTQXXXTJ-GOSISDBHSA-N 394.519 4.082 0 1 GIAF COc1ccc(-c2cc(=O)n3[nH]c(C(F)(F)F)c(-c4ccccc4)c3n2)cc1 169724619 KKHLLTUMLZEBMM-UHFFFAOYSA-N 385.345 4.384 0 1 GIAF C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@@H]1CC[C@H](c2ccccn2)NC1=O)C1CC1 208619791 CQGVMZAJFZRNCD-LXGCGDOSSA-N 397.906 4.055 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)O)CC[C@]32O)C1 255278502 WXPLTPNJECKYBN-ZMTKABGHSA-N 378.553 4.073 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(Cl)nc3[nH]2)cc1 586949188 UJBCHBXFUJRTQA-UHFFFAOYSA-N 398.875 4.388 0 1 GIAF O=C1CC[C@@H]2C[C@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348540 DGCBDXYTRHNRML-MPHQBXLWSA-N 380.415 4.408 0 1 GIAF COP(=O)(C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OC 587359061 GJAPJYVDXVBJJW-PKOBYXMFSA-N 394.335 4.135 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CCCCN1C(=O)OCc1ccccc1)O2 587396613 USJFVMDGQOLVLI-CTNGQTDRSA-N 394.471 4.102 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(C(F)(F)F)cccc21 587464470 RCDRJKTXBASCRF-LJQANCHMSA-N 391.345 4.176 0 1 GIAF CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)OC 587522253 GOMAXTUDHDSICN-OAQYLSRUSA-N 380.440 4.457 0 1 GIAF C[C@H](N(C)C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574194 VUFLGXZNNIOOCL-LYAKXMMSSA-N 389.451 4.199 0 1 GIAF Cc1ccc2nc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cn2c1 587587338 MKKBUTBQPOKNTH-NFBKMPQASA-N 386.407 4.225 0 1 GIAF C[C@]1(c2csc(C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610254 BIWYHPHWFZJNRO-OXJNMPFZSA-N 382.393 4.029 0 1 GIAF Cc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCO2 587612140 UNFSKTHQJNBSON-SIKLNZKXSA-N 376.364 4.132 0 1 GIAF Nc1ccccc1-c1[nH]c2cccc(F)c2c1CN1C(=O)c2ccccc2C1=O 587637115 VKLKDPCAZAMAPM-UHFFFAOYSA-N 385.398 4.352 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2cc(F)ccc2F)N1 587720193 RLOGZGQZZGAZKG-PWJLMRLQSA-N 384.195 4.325 0 1 GIAF COC(=O)c1cc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2c(F)c1Nc1ccccc1 587963835 UINZOVMPDLYLOO-STQMWFEESA-N 395.434 4.390 0 1 GIAF CCCOc1ccccc1[C@]1(CN)c2ccsc2CCN1Cc1cccn1C 962397637 KHOXNGPIAMIGCB-HSZRJFAPSA-N 395.572 4.136 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1cc3ncnc(Cl)c3s1)N(C)[C@H](C)C2 962561664 DQUYBFLXATXJED-BMLIUANNSA-N 389.908 4.328 0 1 GIAF O=S(=O)(Nc1ccc(CCc2ccccc2)c2cccnc12)c1ccccn1 1857576151 FKJOVPHMZFRURO-UHFFFAOYSA-N 389.480 4.216 0 1 GIAF CC(C)CCn1c2c(c3c(O)cc(O)cc31)CCn1c-2nc2ccccc2c1=O 1911579566 AWQWORNBPXKLGA-UHFFFAOYSA-N 389.455 4.032 0 1 GIAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@@H]2[C@H]43 2356417171 SSXKICOQNGDABW-HQLQRCIMSA-N 378.468 4.309 0 1 GIAF C[C@H](O)[C@H](O)[C@@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356562124 OITVHTCHWCAWMR-MZLICYQSSA-N 376.496 4.373 0 1 GIAF CC=C[C@@H]1C[C@@H]1[C@@H]1OC2=C(Br)C[C@H](C=C=CBr)O[C@H]21 2356760383 GABIRMUVGHAVPG-QGJJPEKVSA-N 388.099 4.425 0 1 GIAF COC(=O)c1c2c(cc3c1C[C@@]1(Cc4cc5c(c(C=O)c4C1)CCC5)C3)CCC2 1855688 KKISMDCJUHRYQW-SANMLTNESA-N 386.491 4.147 0 1 GIAF COc1cc(C(=O)O[C@@H]2CC(C)=CC[C@@]3(C)CC[C@](O)(C(C)C)[C@@H]23)ccc1O 5757687 YEQVRBJRNFLOQJ-VAPSRWTKSA-N 388.504 4.470 0 1 GIAF CC1(C)C=C(n2ccccc2=O)c2cc(C(=O)c3ccccc3F)ccc2O1 13795380 YVCCWXOHCHNRPB-UHFFFAOYSA-N 375.399 4.279 0 1 GIAF O=C(C[C@@H]1C=NN2c3cc(Cl)ccc3[N+]([O-])=N[C@H]12)Oc1ccccc1Cl 27635839 UMYWGMKUCZAQJO-QGHHPUGFSA-N 391.214 4.345 0 1 GIAF Cc1ccc(CNc2ccc3cc(S(=O)(=O)N4CCCCC4)ccc3n2)cc1 34870509 YGOWGNHFCOQKJE-UHFFFAOYSA-N 395.528 4.330 0 1 GIAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(OCCCN2CCOCC2)c1 43079610 ZRAKMKLASRCXJL-UHFFFAOYSA-N 389.883 4.085 0 1 GIAF Nc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12 43208592 KCKXYZOBGBJZEG-UHFFFAOYSA-N 384.418 4.258 0 1 GIAF Nc1nnc(C2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)s1 64235549 ZMDIQDWLLMFISO-UHFFFAOYSA-N 388.500 4.115 0 1 GIAF COc1ccc2nc(CCc3nc(-c4ccccc4)cn3C)n3nc(C)cc3c2c1 66058934 XCMHDRJYRTUVNO-UHFFFAOYSA-N 397.482 4.385 0 1 GIAF O=C1C(=O)N(c2cccc3ccccc23)CCN1Cc1ccc(F)cc1Cl 95565313 UGKMQCDSLUFUJR-UHFFFAOYSA-N 382.822 4.008 0 1 GIAF CC(=O)O[C@@H]1C[C@@H](C)[C@]2(CC[C@]3(COC(=O)C3)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 96923692 VMSPIYCFMMEMSY-HREPXLEDSA-N 378.509 4.025 0 1 GIAF CCOC(=O)[C@H]1C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccccc2)[C@H]1C 169715027 QENKGEVIUOCSBV-OXJNMPFZSA-N 391.467 4.431 0 1 GIAF O=C(Nc1ccc(C2CCCCC2)cc1)[C@@H]1C(=O)O[C@@H](Cc2ccccc2)C1=O 169727242 OSAPJMWJJQLGLB-LEWJYISDSA-N 391.467 4.026 0 1 GIAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(-c2ncc[nH]2)c1 205905236 UKEXMTKEAYZAKG-UHFFFAOYSA-N 382.729 4.276 0 1 GIAF Cc1nccc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)nc12 587028209 WQNCKTIJDJYLQR-NXHRZFHOSA-N 380.517 4.403 0 1 GIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587044748 QTLKGYZPPHYGMO-UHFFFAOYSA-N 392.242 4.439 0 1 GIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(F)c(F)c2[nH]1 587113113 OIQACAVWNCRKGF-KRWDZBQOSA-N 383.320 4.260 0 1 GIAF COc1c(F)ccc(F)c1-c1nc2cccc(I)c2[nH]1 587132647 HDZNNNVTXWCBRI-UHFFFAOYSA-N 386.139 4.121 0 1 GIAF CC(C)(C)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3F)[nH]c2n1 587144081 IFZXFPPVQUJJSB-CYBMUJFWSA-N 391.288 4.400 0 1 GIAF Cc1cc(Cl)cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c12 587148013 FAJKYTXDCNLACD-LBPRGKRZSA-N 375.806 4.319 0 1 GIAF O=C1c2ccc(O)cc2O[C@@](CO)(c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 587336513 YRFXZJYYLDXXBH-IRLDBZIGSA-N 398.817 4.431 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(F)c(Br)c1F)[C@@H](C2)C3=O 587422268 CREIDIKXBNEPCB-BBATYDOGSA-N 395.199 4.399 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(C)cc(C)c(COC(C)=O)c1C)[C@@H](C2)C3=O 587442708 KSPXHCJFSOXWPZ-GAJHUEQPSA-N 380.440 4.172 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)nc(SC)nc1Cl)[C@@H](C2)C3=O 587451131 JHSPTLLXQPTKFX-ISVAXAHUSA-N 383.256 4.003 0 1 GIAF O=C1C[C@H](c2ccc(F)c(N3CCOCC3)c2)Oc2c1ccc1c2CCCC1 587506861 QHMWKHNJUHJOJE-JOCHJYFZSA-N 381.447 4.248 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc(F)ccc12 587569831 MIADOIFWBGFAJK-SIKLNZKXSA-N 378.355 4.171 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCOc1cccc(F)c12 587573244 YMNSFPUQKCIYAC-DENIHFKCSA-N 378.355 4.171 0 1 GIAF C[C@]1(c2cnc3ccccc3n2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588900 VDVQXAHQOZUUDV-NZQKXSOJSA-N 384.391 4.212 0 1 GIAF O=C(NCc1ccccc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656456 KWWLRQQTTJZQPD-UHFFFAOYSA-N 391.377 4.100 0 1 GIAF CCn1ncc(Cl)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587699120 ROUUJMDIJNRZGS-XXFAHNHDSA-N 386.696 4.256 0 1 GIAF COc1cc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587716093 ITZDHXAHUKFWPO-DYBLOJMWSA-N 398.247 4.368 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3nc2O)N1 587779788 WAGXZSTYFCJJCD-MLCYQJTMSA-N 387.252 4.466 0 1 GIAF COC(=O)[C@@H]1CCC(C)(C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587809400 RHPGIBZWRQXSIP-MJLGCCKJSA-N 398.316 4.317 0 1 GIAF CCC(=O)OC1=C(C)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587813614 WAWYYRZTPXEGEG-VOJFVSQTSA-N 382.273 4.339 0 1 GIAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(Br)c(C)c3[nH]2)cc1 587938324 UYMMWGRMNBIVIT-APPDUMDISA-N 375.266 4.480 0 1 GIAF C=CC(=O)N(Cc1cc(C)no1)c1nc(-c2ccc(Cl)cc2O)cs1 1857575809 RSDSIEXDLFJVJM-UHFFFAOYSA-N 375.837 4.185 0 1 GIAF COc1ccc(C(=O)[C@@H]2CCCN(Cc3cccn3-c3ccccn3)C2)c(C)c1 11667975 MFGGANWOTSXZQA-LJQANCHMSA-N 389.499 4.284 0 3 GIAF Cc1csc2nc(Cc3ccc(C(=O)c4ccc(NO)cc4)cc3)oc(=O)c12 1903943 RNBZROAPMYVHBE-UHFFFAOYSA-N 392.436 4.181 0 1 GIAF O=C(O)CSc1nnc(-c2cccc(C(F)(F)F)c2)n1-c1ccccc1 2523806 YTEZUYYLRZZLJM-UHFFFAOYSA-N 379.363 4.130 0 1 GIAF CCc1ccc([C@H]2C[C@H](c3cc(OC)c(OC)c(OC)c3)n3ncnc3N2)cc1 2915481 DBFVIQYAXSKETO-QZTJIDSGSA-N 394.475 4.013 0 1 GIAF O=C(NCCc1ccccc1F)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccsc1 4053764 DOMZMSRNJFKBDH-TZIWHRDSSA-N 394.471 4.338 0 1 GIAF CCc1nnc(SCC(=O)N(C)C2CCCCC2)c2cc3sccc3n12 6893874 BPZHLOISWQBVHK-UHFFFAOYSA-N 388.562 4.390 0 1 GIAF COc1cc2c(c(O)c1Cc1ccccc1O)C(=O)C[C@@H](c1ccccc1)O2 14558320 CTWWMDVPBXRLBM-IBGZPJMESA-N 376.408 4.404 0 1 GIAF biogenic Nc1c(C(=O)Nc2ccc(C(=O)O)cc2)sc2nc3c(cc12)CCCCC3 20034656 JQQNROHQJMLJQG-UHFFFAOYSA-N 381.457 4.098 0 1 GIAF CC(C)(C)CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NCC2CCCCC2)c1=O 25235525 XUCJRGFFHGNMJK-MOPGFXCFSA-N 399.579 4.222 0 1 GIAF biogenic C[C@@H]1CC[C@](Oc2ccc(CC(=O)Nc3ccc4c(c3)CCC4)cc2)(C(=O)O)C1 27524633 IGBQTBRMCUGPNH-VOIUYBSRSA-N 393.483 4.379 0 1 GIAF COc1cc(OC)cc(OCCCOc2c3ccoc3cc3oc(=O)ccc23)c1 34660914 ORGLCJFBVZQKHK-UHFFFAOYSA-N 396.395 4.404 0 1 GIAF Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2cc(C3CC3)ccc21 40423288 XJZGBIWHBPHGTM-UHFFFAOYSA-N 382.419 4.369 0 1 GIAF Cc1ccc(C2=NO[C@@H](COCc3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 45289950 QANAACRRWVSTOU-QGZVFWFLSA-N 383.835 4.408 0 1 GIAF C[C@@]12CCC[C@@](O)(C1)[C@@H]1C[C@@]3(CCC[C@H]3CNC3CCCCC3)[C@@H]1[C@H](O)C2 85547581 WFTSAWYFMSRLIM-HWAKQELZSA-N 375.597 4.407 0 1 GIAF biogenic,in-vitro C[C@@H]1c2ccccc2CCN1C(=O)c1csc(Nc2ccc3c(c2)OCO3)n1 96283023 AOMYTFOGWHSXRM-CYBMUJFWSA-N 393.468 4.375 0 1 GIAF CC(C)[C@H](NC(=O)c1ccc(Cl)cc1O)C(=O)Nc1ccc(Cl)cc1 96932397 NXXVXWIKHLSPNQ-INIZCTEOSA-N 381.259 4.092 0 1 GIAF COC(=O)c1ccc(NC(=O)N[C@H]2CC[C@@H](Oc3ccc(F)cc3)CC2)cc1 101098588 LQCBKHAUABSQEX-UAPYVXQJSA-N 386.423 4.124 0 1 GIAF CCOC(=O)c1oc2cccc(OCCNCc3cccnc3)c2c1C1CC1 103277975 MKDPXPFXOQKDMP-UHFFFAOYSA-N 380.444 4.051 0 1 GIAF CCOc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1OC 103539536 IWCRPJQVLJAWAV-KRWDZBQOSA-N 386.477 4.079 0 1 GIAF Cc1cncc(C2=CC[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)COC[C@]5(C)[C@H]4CC[C@]23C)c1 147988803 ZTTAZFNCICHQHY-JCKJGOETSA-N 394.559 4.483 0 1 GIAF O=C1CCCN1[C@H]1CC[C@H](Nc2ncnc3ccc(-c4cncs4)cc23)CC1 299851982 LPXYMTVRTJZZMF-WKILWMFISA-N 393.516 4.099 0 1 GIAF CO[C@@H]1C[C@@H](CC[C@@]2(C)[C@H](C)[C@H](O)C[C@@]3(C)C(COC(C)=O)=CCC[C@@H]32)CO1 523042001 ZDDVYTWRCWFGSQ-UUAVDTTPSA-N 394.552 4.088 0 1 GIAF biogenic COc1cc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2cn1 586981268 NLQAMJNJUBQEPN-UHFFFAOYSA-N 383.249 4.495 0 1 GIAF CCOC(=O)[C@H]1CCc2nc3ccc(O)c4c3c(c2[C@@H]1C)-c1ccccc1C4=O 586989217 BNLZAYJIEKBGOJ-OLZOCXBDSA-N 387.435 4.381 0 1 GIAF Fc1ccc(I)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 587183383 YMCMGRFQUFHATA-UHFFFAOYSA-N 391.546 4.161 0 1 GIAF CC(C)[C@@H](c1nc2cc3nc(O)[nH]c3cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198557 KDGZRLQDEDPTKB-SFHVURJKSA-N 393.447 4.111 0 1 GIAF Cc1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2c1 587238615 FEFSTQGWXFGHSD-ICSGCJEQSA-N 385.508 4.426 0 1 GIAF Cc1ccc(Cl)c(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587276367 NDQONONJRKVSND-UHFFFAOYSA-N 380.625 4.275 0 1 GIAF CCOC(=O)C[C@]1(CC2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347045 KUHQUJRTMGSZMG-GGAORHGYSA-N 398.430 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccc(Br)cc1)O2 587372779 REWVURPRBYMKDN-KRWDZBQOSA-N 398.260 4.436 0 1 GIAF CCOc1ccc(Br)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587377089 KVZTUYPCMMYITD-KRWDZBQOSA-N 376.250 4.445 0 1 GIAF Cc1nc(O)sc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587378521 VZDZEQRIDZOOHB-UZLBHIALSA-N 385.416 4.276 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C1)O2 587401687 WLCFPPRMZZOGRW-FGZHOGPDSA-N 386.492 4.092 0 1 GIAF COc1ccc(Oc2ncc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1 587451272 JOQPBKGXXOWJGL-QRWLVFNGSA-N 395.436 4.441 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(/C=C/C(=O)O)=COc2ccccc21 587490708 XZRLNODMUUKUPU-OXHGWOFKSA-N 392.407 4.123 0 1 GIAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587559030 VETCYYVNIVSJKU-GHTZIAJQSA-N 394.354 4.021 0 1 GIAF CCOC(=O)C[C@]1(CC2CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597705 RNDWVKOYOBUSIH-REWPJTCUSA-N 396.439 4.236 0 1 GIAF O=C(O)CCc1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587639261 YMZSOJZVHMPXCJ-UHFFFAOYSA-N 388.217 4.313 0 1 GIAF CCn1nc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587753232 AJZPFJRCGHXSJH-XTZNXHDOSA-N 380.305 4.219 0 1 GIAF COc1ccc2c(c1)[C@]1(CCN2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790490 DAYOXPZOAFZXCT-JEOXALJRSA-N 391.284 4.190 0 1 GIAF COc1cccc2c1[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587808682 OGKQNDDZJOIGMD-NSPYISDASA-N 376.269 4.321 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cn1cc(Cl)c(C)n1 587861078 MEHBJRGYDFWBOQ-UHFFFAOYSA-N 398.772 4.076 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)n1nc(C(F)F)cc1C 587870776 ILJDGKCEGQNXTL-GFCCVEGCSA-N 392.381 4.432 0 1 GIAF COc1ccc(OC)c(-c2nc3cc(F)cc(Br)c3[nH]2)c1OC 587926361 NKVMKADBTAMVHJ-UHFFFAOYSA-N 381.201 4.157 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(Cc3cccc(OC)c3)nc2c1 587932890 WSLHGAIOEXFGGC-UHFFFAOYSA-N 389.249 4.102 0 1 GIAF CCOC(=O)c1cc(C)n(-c2nn(COc3ccccc3F)cc2Cl)c1C 587946301 UFPWXZSFUGQNJS-UHFFFAOYSA-N 391.830 4.296 0 1 GIAF CSc1nn2cc(-c3nc4ccc(OCc5ccncc5)cc4o3)nc2s1 653762206 CGLYGCFHUHHKOP-UHFFFAOYSA-N 395.469 4.295 0 1 GIAF CC[C@@H](Cc1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1)C(=O)O 653805766 ITPZHTIFMDNXPY-HNNXBMFYSA-N 379.378 4.289 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@]2(C=C(c3ccccc3)Oc3ccccc32)N1 962920911 NBKWBPFHQQOWIT-YADARESESA-N 387.410 4.102 0 1 GIAF CCN(CC)c1cccc(Br)c1[C@@H]1NCCc2ccc(O)cc21 963344171 ZZCSKODZLCUPAE-LJQANCHMSA-N 375.310 4.236 0 1 GIAF COc1ccc(CONC(=O)c2cn(-c3cccc(F)c3)nc2CC(C)C)cc1 1772599396 XJTXQYABXWHJKC-UHFFFAOYSA-N 397.450 4.080 0 1 GIAF CC(=O)Nc1ccc(CN2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)cc1 12429422 YMEOFWWOQLDBOV-JOCHJYFZSA-N 386.923 4.116 0 3 GIAF O=C(NCCc1ccccc1F)c1[nH]c(C(F)(F)F)nc1-c1ccccc1 95599035 VUACIVTXZURTIS-UHFFFAOYSA-N 377.341 4.207 0 3 GIAF CC(C)C(C/C=C1/C[C@](CO)(COC(=O)C2CCCCC2)OC1=O)C(C)C 1655268 MQVKKNWFZZUPHW-PZCGXLTHSA-N 380.525 4.033 0 1 GIAF COc1ccc(C(=O)Nc2c(F)cncc2F)c2ccc(C(F)(F)F)nc12 13442865 BJEUCBFCNBFMLD-UHFFFAOYSA-N 383.276 4.188 0 1 GIAF CN(C)CCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1 13648369 SEYTYFBRYYSXAY-UHFFFAOYSA-N 382.899 4.299 0 1 GIAF O=C(c1ccc(O)cc1)N1CCc2c(n(Cc3cccc(O)c3)c3ccccc23)C1 14946233 PURKDPDGYFFSOV-UHFFFAOYSA-N 398.462 4.299 0 1 GIAF CCCC[C@H](CC)CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O 16040694 NCYLRYJFQRVHOD-OXJNMPFZSA-N 395.547 4.215 0 1 GIAF biogenic CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc([C@@H](C)O)cnc32)CC1 26016266 FTRLGWYKFAFTDF-CQSZACIVSA-N 396.918 4.331 0 1 GIAF COc1c(OC(=O)c2ccccc2)cc2oc(-c3ccccc3)cc(=O)c2c1O 28366099 BEJHHRPALCSOIK-UHFFFAOYSA-N 388.375 4.393 0 1 GIAF CC(C)(Cc1cccc(C(=O)c2cccc(CC(C)(C)C(=O)O)c2)c1)C(=O)O 28457623 HGXXYAGULYAJKN-UHFFFAOYSA-N 382.456 4.224 0 1 GIAF CC(=O)NCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1CCc1ccccc1 28568260 GUSBPHHTGKVYTP-DNVKUUNQSA-N 394.559 4.129 0 1 GIAF O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]2CCN(C3CC3)C(=O)[C@@H]21 36383110 AIUWYEXWPWZAJI-ZLENFMNRSA-N 379.287 4.135 0 1 GIAF Cc1nc2c3c(c(C(=O)N4CCC4)cc2n1C)CC[C@@H](c1ccc(Cl)cc1)O3 49113246 LLLCRMVDTYBBQC-IBGZPJMESA-N 395.890 4.447 0 1 GIAF O=C(NCC[S@@](=O)Cc1cccc(Cl)c1)c1c(Cl)cccc1Cl 49853516 UHUTVVXBGZDUGN-QHCPKHFHSA-N 390.719 4.326 0 1 GIAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCCCC3)nc2-c2ccco2)C1 82142347 TVQIWVNWOTXFDY-IAGOWNOFSA-N 382.508 4.378 0 1 GIAF CCCOc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 95554524 JFQVXRRRYVYKSU-PMACEKPBSA-N 375.472 4.089 0 1 GIAF CN1CCC(COCc2cc(C(F)(F)F)ccn2)(c2ccc(F)cc2)CC1 95592684 SIPOLHQPOKEDPH-UHFFFAOYSA-N 382.401 4.420 0 1 GIAF C[C@@]1(c2cc(CC(=O)c3ccc(Cl)cn3)ccc2Cl)CCSC(N)=N1 96174378 HSIDEQBZANKCSI-SFHVURJKSA-N 394.327 4.481 0 1 GIAF O=Cc1sccc1-c1cccc(-c2cc(=O)cc(N3CCOCC3)s2)c1 101076060 NPOVGARYNUQNFB-UHFFFAOYSA-N 383.494 4.153 0 1 GIAF FC(F)Oc1ccc(-c2nnc3n2[C@@H](CCCc2ccccc2)CNC3)cc1 103303070 XZRWDQJUYUQTBS-KRWDZBQOSA-N 384.430 4.214 0 1 GIAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc([C@@H](C)OC)cc3)oc2c1 139565139 ZLCPMONEIUVXQG-KGLIPLIRSA-N 377.444 4.452 0 1 GIAF Cc1cnc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)o1 141749815 HNZNLHMWBMCDNP-UHFFFAOYSA-N 379.366 4.200 0 1 GIAF O=S(=O)(Nc1cc(-c2ccc(Cl)c(Cl)c2)ncn1)c1ccccc1 145351103 AYEXGLOHSIPFQZ-UHFFFAOYSA-N 380.256 4.251 0 1 GIAF Cc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)ccc1-c1ccc(C(=O)O)cc1 586881701 XNKRBOMYHWOMPH-UHFFFAOYSA-N 399.406 4.234 0 1 GIAF Cc1ccc(-n2cnnc2SCc2nc3cc4cn[nH]c4cc3[nH]2)cc1Cl 586967539 AOMYMSVAOITMQQ-UHFFFAOYSA-N 395.879 4.274 0 1 GIAF CCc1noc([C@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)n1 586989458 JQHDMSRKSOZARG-LBPRGKRZSA-N 397.434 4.370 0 1 GIAF O[C@H](c1ccc(Br)cc1)c1nc2ccc(Br)cc2[nH]1 586996534 HEWUYSRYQDRZDO-CYBMUJFWSA-N 382.055 4.170 0 1 GIAF FC(F)(F)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005221 CXHPWPGKINVOCA-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF Cc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587027931 UMPKERBKRFFIQR-NXHRZFHOSA-N 380.517 4.403 0 1 GIAF COc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)nn1-c1ccccc1F 587155764 GURBNJXGLVGGOZ-UHFFFAOYSA-N 380.276 4.120 0 1 GIAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(F)c(Br)c2[nH]1 587174426 JFCIOCSDYOALJO-LBPRGKRZSA-N 391.219 4.327 0 1 GIAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(F)cccc2[nH]1 587181218 OQGLMZXINQLOGB-MRVPVSSYSA-N 384.196 4.141 0 1 GIAF CCOC(=O)C[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348226 NCYMMBNPQCXRCE-IFMALSPDSA-N 386.419 4.238 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(I)cc1)O2 587386950 MXMWKMFZYIYGSJ-QGZVFWFLSA-N 393.224 4.062 0 1 GIAF COc1cc2c3c(c1)OC1(CN(C(c4ccccc4)c4ccccc4)C1)[C@@H](C2)C3=O 587438870 RRXQIWVEHAFOGQ-NRFANRHFSA-N 397.474 4.287 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc4ccc(SC)cc4nc1O)[C@@H](C2)C3=O 587451022 IBNYUPMNLBITLW-VBKZILBWSA-N 379.437 4.160 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)([C@H](Cc1ccccc1)C(=O)OCC)CC2=O 587480527 KYVGGCNPGPVUOZ-DVECYGJZSA-N 396.483 4.491 0 1 GIAF C[C@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517410 MTAIBCVIFRWTNW-PSLXWICFSA-N 399.487 4.073 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)c[nH]1 587549860 YQJUBETTWKWLBI-MAUKXSAKSA-N 386.201 4.186 0 1 GIAF Cc1cc(Br)ccc1-c1[nH]c2c(C(=O)O)cccc2c1CC(=O)O 587636724 FYBYHCROUKYKGV-UHFFFAOYSA-N 388.217 4.231 0 1 GIAF CO/C(C)=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587701327 CIPDJQCOZSJJDN-CMPRUQNBSA-N 382.195 4.430 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnn2[C@@H]2CCCCO2)N1 587759443 KZGWTVKVBIMORH-DJCROIMJSA-N 394.288 4.107 0 1 GIAF COc1ccc(-c2cccc(-c3nc4c(O)nc(S)nc4[nH]3)c2C)c(OC)c1 587928976 FMDOYYRSCCKFDS-UHFFFAOYSA-N 394.456 4.007 0 1 GIAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 587934798 GHOLMRPUPLBHQW-QFIPXVFZSA-N 385.467 4.454 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc2c1 587952095 YAUHAICEGWZNJK-UHFFFAOYSA-N 399.516 4.192 0 1 GIAF CC[C@@H](Cc1ccc(C(=O)NCc2ccccc2Br)cc1)C(=O)O 653780493 PQIGOTKMANBDNZ-AWEZNQCLSA-N 390.277 4.032 0 1 GIAF O=C(O)c1ccc(-c2ncc(-c3n[nH]c4c(CC5CC5)cccc34)s2)cn1 653787439 NHVHNOMTUFCOHB-UHFFFAOYSA-N 376.441 4.399 0 1 GIAF CCOC(=O)[C@]1(C2CCCC2)NC2(CC2)Cc2ccc(Br)cc21 961326201 RQMLMUVPUZSLNM-LJQANCHMSA-N 378.310 4.076 0 1 GIAF Clc1cc(Cl)cc(CN[C@H]2CCN(c3nc4ccc(Cl)nc4[nH]3)C2)c1 1772569833 LGTHUNKDXBPWQG-ZDUSSCGKSA-N 396.709 4.287 0 1 GIAF Cc1nnc2n1-c1cnc(Nc3cccc(Cl)c3)nc1N(C1CCCC1)C2 1857557283 KFFPXQXSVBNGTP-UHFFFAOYSA-N 381.871 4.025 0 1 GIAF COC(OC)C1=C[C@H](O)[C@@]2(C)CC[C@@]3(C)CCC(C(C)C)=C3[C@H]2C[C@H]1OC 2356324216 HKKOLWQOYBQKEY-VCSLONGPSA-N 378.553 4.480 0 1 GIAF CC1=C(c2cccc(Br)c2)S(=O)(=O)N=C1NC1CCCCCC1 6797236 REOXAQNXRSONLD-UHFFFAOYSA-N 397.338 4.234 0 1 GIAF COc1cccc(C(=O)[C@H]2CCCN(Cc3ccc4cccc(OC)c4n3)C2)c1 11938433 LQKDLUCAWZDYBT-IBGZPJMESA-N 390.483 4.347 0 1 GIAF O=C(O)CC/N=c1\ccn(Cc2ccccc2Cl)c2cc(Cl)ccc12 13741402 JDVAMNHLQQNHRF-OQKWZONESA-N 375.255 4.372 0 1 GIAF COc1cc2c(cc1C(C)C)CC[C@@H]1C3=C(CC[C@]21C)C(=O)OC(C)(C)[C@@H]3O 14823699 LVERCARRTBWEFF-JKHABCDFSA-N 384.516 4.425 0 1 GIAF biogenic Cc1ccc(S(=O)(=O)N2CCC(Br)=C[C@H]2c2ccccc2)cc1 28704340 JUNBABMVJJRGST-SFHVURJKSA-N 392.318 4.410 0 1 GIAF CCOC(=O)[C@H](C)Oc1ccc(N(C)c2cnc3cc(Cl)ccc3n2)cc1 29254517 SFILHAUWBPKBGG-ZDUSSCGKSA-N 385.851 4.382 0 1 GIAF O=C(Nc1cccnc1)c1cc(-c2cn[nH]c2)ccc1OCc1ccc(F)cc1 68267177 VXRUKZJWPAUYCR-UHFFFAOYSA-N 388.402 4.442 0 1 GIAF c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCNCC4)N3)n2)cc1 84672113 RAJFOGCRMAERDF-FYYLOGMGSA-N 397.526 4.486 0 1 GIAF CC[C@@H](CN)[C@@H](CC)Oc1cccc2ccc(-c3nnc4ccccn34)nc12 96174977 AZSRVVPUAZTMAY-MAUKXSAKSA-N 375.476 4.087 0 1 GIAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2cccnc2)n1 118600964 LTBFMXNOPRCNNW-LJQANCHMSA-N 379.485 4.338 0 1 GIAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4cc(F)ccc43)cccc21 145740606 GFRDOUNRVDHWKR-QGZVFWFLSA-N 395.434 4.102 0 1 GIAF CC(C)c1csc2nc(N3CCC(COCCN4CCCC4)CC3)ncc12 146363300 AUUJIQRXNQWYRB-UHFFFAOYSA-N 388.581 4.144 0 1 GIAF Cc1cncnc1N1CCc2ncnc(Nc3ccc(C(C)(C)C)cc3)c2CC1 147020884 ZURSPBZZSOUWKK-UHFFFAOYSA-N 388.519 4.221 0 1 GIAF CC(=O)O[C@@H]1C=C(C)[C@H](OC(C)=O)CC=C(C)CC[C@@H]2[C@H](C=CC1=O)C2(C)C 254201730 VRGIDOAPYHTMND-NPDDRXJXSA-N 388.504 4.324 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c4c(ccc3[nH]2)CCCC4)cc1 586939638 QJQQBMBFTFCNIH-AWEZNQCLSA-N 383.517 4.186 0 1 GIAF Cc1cc(F)c2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1 586970358 XTNPQXQFSBVWNS-UHFFFAOYSA-N 384.392 4.081 0 1 GIAF COc1cc(Br)cc(C=O)c1OCc1nc2cc(C)cc(F)c2[nH]1 586980059 GUIWCALCYLEQPM-UHFFFAOYSA-N 393.212 4.173 0 1 GIAF O=C1COc2cc3nc(-c4ccc(COc5ccccc5Cl)o4)[nH]c3cc2N1 587065195 VQROEHQDAUZLIH-UHFFFAOYSA-N 395.802 4.386 0 1 GIAF Nc1ncc(Cl)nc1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587086889 NSWCOECUOCFKSU-UHFFFAOYSA-N 381.667 4.293 0 1 GIAF CC(=O)C12CC([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)(C1)C2 587354031 MIWHJZDWVLVXOO-JABWIYMSSA-N 380.415 4.408 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CCCCN1C(=O)OCc1ccccc1)O2 587396617 USJFVMDGQOLVLI-PZJWPPBQSA-N 394.471 4.102 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(C(=O)OCC)cc1)CC2=O 587484570 SELXTLGTDDYGHN-QHCPKHFHSA-N 382.456 4.488 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(-c3cnccn3)nc1C)CC2=O 587493916 JBPWHJJSDFJESU-NRFANRHFSA-N 395.484 4.447 0 1 GIAF COc1ccc(CNC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511428 KPBDEPOKZPHWBD-XMMPIXPASA-N 393.483 4.004 0 1 GIAF COC(=O)[C@H]1CCc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587527518 WBVDMRVCZXBGAJ-YKSBVNFPSA-N 376.452 4.162 0 1 GIAF CC(C)(C)N1C[C@@H]2CC[C@H](C1)C21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596640 SCEAZRKIJPZBMN-KCYIRZIISA-N 393.483 4.233 0 1 GIAF O=C(c1c(F)cccc1F)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655814 RJOPALNZTVZSAL-UHFFFAOYSA-N 398.315 4.308 0 1 GIAF CC(C)n1ncc2c1CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587755979 CEPOXFOUXJKPFL-BUXKBTBVSA-N 392.316 4.480 0 1 GIAF CCOC(=O)c1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)[nH]c1C 587795561 YJVRVTMFAIHSGP-XYZCENFISA-N 395.272 4.025 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1CCO[C@H]1C21CCCC1 587839878 VKTWQURJVKAVSQ-ZXCFCYKVSA-N 380.301 4.297 0 1 GIAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587963694 QOGKHTBCEMCYKB-SFYZADRCSA-N 391.187 4.382 0 1 GIAF COc1ncc(Br)cc1[C@@H]1c2c(F)cccc2C[C@H]2CCCN21 963099248 JFKNOZDZLFMEPM-CXAGYDPISA-N 377.257 4.102 0 1 GIAF Cc1cc(OCC(=O)NCC(F)F)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1183430869 GXYFUOBQDIZMBC-UHFFFAOYSA-N 391.458 4.483 0 1 GIAF CCCCOc1cccc2c1C(=O)OC2=C(Br)Br 1857747017 WWLMADAUOLCYHR-UHFFFAOYSA-N 376.044 4.452 0 1 GIAF CN[C@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 2356418460 KHBOEHDNAZWJMH-FTHOQJTPSA-N 389.624 4.365 0 1 GIAF Cc1ccc2c(c1)N(CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)c1cccnc1O2 6878063 BJSBMECVEKPDDO-SOLBZPMBSA-N 393.487 4.083 0 3 GIAF C[C@@]1(c2nnc(Cc3ccccc3)o2)CC(c2ccc(Br)cc2)=NO1 12725949 FYHAIKJVDYAFJY-IBGZPJMESA-N 398.260 4.463 0 3 GIAF C[S@@](=O)c1ccc(-n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)cc1 3815784 UPYYEIHAZSVKFD-MHZLTWQESA-N 377.444 4.478 0 1 GIAF CCN(C(=O)c1ccncc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 13682590 RNWLFGIPIJCAAQ-UHFFFAOYSA-N 392.299 4.061 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 13737922 GNWBLLYJQXKPIP-ZOGIJGBBSA-N 388.596 4.334 0 1 GIAF CCOc1ccc(Cl)cc1-c1cc(Nc2ccc(CC(=O)O)cc2)nc(N)n1 26394662 OBWOGSICEFOJRO-UHFFFAOYSA-N 398.850 4.149 0 1 GIAF O=C(O)CCCCCS(=O)(=O)c1ccc(CCCc2ccccc2)s1 26936895 HGOYPZKUWJNSJE-UHFFFAOYSA-N 380.531 4.342 0 1 GIAF COc1cc(C(=O)c2sc(-c3ccc(F)cc3)cc2N)cc(OC)c1OC 35065309 ZTKMCRCFWIXUBZ-UHFFFAOYSA-N 387.432 4.393 0 1 GIAF CCn1nccc1NC(=O)c1cc(Cl)c(OCc2cccc(Cl)c2)cn1 40420792 IXVHXSYTAJPDKX-UHFFFAOYSA-N 391.258 4.436 0 1 GIAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)c1cnccn1 72177886 ONVLREVIUSKYQD-HXUWFJFHSA-N 378.863 4.478 0 1 GIAF COCCn1c(-c2ccsc2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188222 UBZBQJDVWJUDMS-HNNXBMFYSA-N 393.516 4.417 0 1 GIAF COc1cc(OC)c2c(=O)cc(-c3ccc(F)c(F)c3)oc2c1-c1ccnn1C 95589026 QPYUGZAGDHNNGV-UHFFFAOYSA-N 398.365 4.156 0 1 GIAF Cc1noc(C)c1-c1cc(-c2c(C3CC3)n[nH]c2C2CC2)c2[nH]c(=O)[nH]c2c1 224234737 JGRQCJHXCPQCGD-UHFFFAOYSA-N 375.432 4.273 0 1 GIAF C[C@H]1C=C(CCCCCCCCCCCC[C@@H]2C(=O)O[C@H](C)[C@H]2O)C(=O)O1 238742171 OUGUBSKRYFRNBT-KVPLUYHFSA-N 380.525 4.462 0 1 GIAF COc1cc(-c2nc(CN3CC[C@H]4CCCC[C@H]4C3)co2)cc(OC)c1OC 299810891 UACPQLTZPMDTMX-CVEARBPZSA-N 386.492 4.380 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(O)cc3[nH]2)C[C@H]2CCCC[C@H]21 587025857 IRMKMUKHYYYKKQ-ZMYBRWDISA-N 381.501 4.405 0 1 GIAF COc1ccc2nc(-c3nc4c(O)c(Br)ccc4[nH]3)sc2c1 587035235 NYHPDQLUIWJPJE-UHFFFAOYSA-N 376.235 4.316 0 1 GIAF Oc1c(Br)ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587075049 BSMNAXRPZXURGP-ZDUSSCGKSA-N 392.640 4.301 0 1 GIAF FC(F)(F)[C@H]1C[C@@H]1c1nc2c(Br)cnc(Br)c2[nH]1 587092778 HBSHLBLWJJVHBN-IMJSIDKUSA-N 384.981 4.149 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1nccnc1-c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419372 DUXHEXZEYGUSIC-YCRPNKLZSA-N 378.815 4.294 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C)c(Br)s1)[C@@H](C2)C3=O 587454443 ZCNKVQXNEMUIDA-APPDUMDISA-N 379.275 4.490 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C[C@H]3C[C@@H]1C[C@@](C(=O)OC)(C3)C2 587477144 FMNJTRDPTOVNHP-BFXLUSERSA-N 384.472 4.048 0 1 GIAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)([C@@H](C)C(=O)OC)CC2=O 587479161 KTJRYQFISIXFQB-WNSKOXEYSA-N 382.456 4.101 0 1 GIAF O=C(O)CC[C@@]1(c2ccc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587496974 DCOHLGLBKODERL-NRFANRHFSA-N 385.847 4.339 0 1 GIAF CC(=O)OC[C@@]1(c2ccc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587497961 HQFUFJBNKIVSNG-OAQYLSRUSA-N 385.847 4.038 0 1 GIAF O=C1C[C@@H](c2cccc(CN3CCOCC3)c2)Oc2c1ccc1c2CCCC1 587518691 NHTKHVPCZDFJMZ-QHCPKHFHSA-N 377.484 4.104 0 1 GIAF COc1ccc2c(c1F)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573564 ZQIMMCFLRAPUNP-AUSIDOKSSA-N 392.382 4.343 0 1 GIAF Cc1cc(C(=O)O)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587610731 RIEOKHNYKLPCDJ-WIYYLYMNSA-N 376.364 4.102 0 1 GIAF Cc1nc(O)c(Cl)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587694375 HKFMAWAZZIWSRW-RBHXEPJQSA-N 399.691 4.448 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)nnc2Cl)N1 587702500 DMOKWDCBCRYKFS-UANNBLPKSA-N 391.071 4.309 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc[nH]c2)(C(F)(F)F)N1 587711181 WJCITGVTQSOTFQ-CLAHSXSESA-N 377.179 4.256 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3ccc(F)cc32)N1 587734915 SOXCZLRVIFDFGI-XTZNXHDOSA-N 378.216 4.411 0 1 GIAF CCOC(=O)C[C@@]1(C2(C)CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799945 VFNADLLRWLJBJS-BBATYDOGSA-N 384.289 4.071 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccnc2ccccc12 587867941 RSQAMXRZRWLQPH-UHFFFAOYSA-N 398.344 4.209 0 1 GIAF COc1ccc(C2(c3nc4c(S)nc(S)nc4[nH]3)CC3(CCC3)C2)cc1 587936830 ZUFSPNKXQPXDDQ-UHFFFAOYSA-N 384.530 4.189 0 1 GIAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc5c(cc4[nH]1)OC(F)(F)O5)(C3)C2 587951438 VBZPWAXECXWAPO-ORMMXULVSA-N 390.386 4.038 0 1 GIAF CC(C)(C)OC(=O)N1CC(F)([C@@H]2NCCc3cccc(-c4ccccc4)c32)C1 962669946 PYPKXZNOIVHUPY-HXUWFJFHSA-N 382.479 4.499 0 1 GIAF CCCC=C1C(OC)=CC(=O)O[C@@]12Cc1oc(=O)cc(OC)c1[C@H](CCC)C2 2356347475 STQISBYNTWSPOY-PEBXRYMYSA-N 388.460 4.031 0 1 GIAF CC(C)[C@@H]1[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2[C@@H]3OCC4=C3[C@](C)(CC[C@H]4O)CC[C@@]12C 2356594700 ZAFBDBZIQHIUHT-OYIKZWGKSA-N 376.537 4.065 0 1 GIAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2c(Cl)cccc2Cl)C1 36380741 SWVFZASLRYOWDF-UHFFFAOYSA-N 399.347 4.050 0 3 GIAF CCn1c(=O)cc(OCC(=O)N(C)c2cc(Cl)ccc2C)c2ccccc21 5067264 NHZAVWGCJSCRPJ-UHFFFAOYSA-N 384.863 4.025 0 1 GIAF CSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(C)cc1 8598070 MPESHHSJFNRYKI-UHFFFAOYSA-N 398.576 4.394 0 1 GIAF COc1ccc2c3c(c4cc(OC)c(OC)cc4c2c1)[C@H](O)[C@H]1CCCCN1C3 14947648 KKXLHPYVIGADHN-HYBUGGRVSA-N 393.483 4.420 0 1 GIAF biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)[C@H](OC(C)=O)C[C@H]32)C1 15046053 YALOOLVBDYZGLY-OULIFRSSSA-N 390.520 4.072 0 1 GIAF biogenic COC(=O)[C@H]1[C@@H](O[C@@H](c2ccccc2)c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C 27213117 KVVSZDPIQNKZIJ-BFRACDOUSA-N 379.500 4.125 0 1 GIAF O=S1(=O)N=C(Nc2ccccc2-c2ccccc2)Nc2c(O)cc(Cl)cc21 28822703 ZMMHPWURJDODJF-UHFFFAOYSA-N 399.859 4.295 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@@]21C)[C@@]1(C)CCCC[C@@H]1C[C@H]3O 33820747 ZHCAAZIHTDCFJX-YYPSVLEDSA-N 392.580 4.478 0 1 GIAF biogenic COC(=O)C[C@@H](c1ccccc1)[C@H](C(=O)N(C(C)C)C(C)C)c1cccnc1 34775681 KVSRYMGXCMOBPD-RBBKRZOGSA-N 382.504 4.158 0 1 GIAF Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCC[C@@H](C)C2)cc1 35901049 JJPQJBHHIMNRNW-GOSISDBHSA-N 391.515 4.195 0 1 GIAF O=P(O)(O)C[P@@](=O)(O)CCCCc1cccc(Oc2ccccc2)c1 40975709 RTCPZTIXSJDGSF-UHFFFAOYSA-N 384.305 4.207 0 1 GIAF COc1ccc(N(C(=O)c2cnc(-c3cccc(C)c3C)cn2)C(C)C)cn1 49072390 OEBYQAZSQJUSMJ-UHFFFAOYSA-N 376.460 4.219 0 1 GIAF COc1ccc(-c2ccn(-c3ccc(O)cn3)c2-c2ccc(C(N)=O)cc2C)cc1 71294512 HLHKHZQHHHNLJH-UHFFFAOYSA-N 399.450 4.328 0 1 GIAF COc1ccc2cc3[n+](cc2c1NCC(C)C)CCc1cc2c(cc1-3)OCO2 73166034 LOFORVTYXWSUNI-UHFFFAOYSA-O 377.464 4.156 0 1 GIAF COCCn1c(-c2ccccc2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181053 WOZGJKZGIIYINO-UHFFFAOYSA-N 393.878 4.405 0 1 GIAF COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OCCF 84687256 MJGBVUYVQXNDDJ-UHFFFAOYSA-N 392.228 4.493 0 1 GIAF Cc1cc(F)ccc1-c1nccnc1OC1CN(c2ccc3ccccc3n2)C1 96168802 QYWYHCIBYUKBEA-UHFFFAOYSA-N 386.430 4.407 0 1 GIAF CNc1ccc(C(=O)c2cc3cc([125I])ccc3o2)cc1 101658404 UPZSAHVMDJZSHS-QZIRHQCUSA-N 375.182 4.310 0 1 GIAF C[C@@H]1CN(c2nccnc2Oc2ccc(Nc3ccccn3)cc2)C[C@@H](C)O1 139066397 QMRRPCBYJHVKFM-HZPDHXFCSA-N 377.448 4.021 0 1 GIAF O=C(NCCCCCCNC(=O)N1Cc2ccccc2C1)c1ccccc1Cl 166104451 WJQXMCLHWAHDMC-UHFFFAOYSA-N 399.922 4.356 0 1 GIAF CN(C(=O)Nc1nonc1-c1ccc(O)cc1)c1ccc(C(F)(F)F)cc1 169320945 LAJJCNUFWMBFDA-UHFFFAOYSA-N 378.310 4.129 0 1 GIAF Cc1ccc(CNc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)o1 203004477 NJDUTNUKNDLODH-UHFFFAOYSA-N 389.257 4.097 0 1 GIAF COc1ccc2cc([C@H](C)C(=O)NCCc3c[nH]c4ccc(O)cc34)ccc2c1 299820883 IITIMUIBPPQZLN-HNNXBMFYSA-N 388.467 4.498 0 1 GIAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 473172550 XKLJNZAOGDOIAD-UHFFFAOYSA-N 380.787 4.294 0 1 GIAF CC1=C(c2ccc3nc(-c4ccccc4-c4ccc(O)cc4)[nH]c3c2)NNC(=O)C1 586898385 JUQBUQLETGQEFP-UHFFFAOYSA-N 396.450 4.358 0 1 GIAF FC(F)(F)c1cc(-c2nc3c(Cl)ccnc3[nH]2)c(Br)cn1 587115446 UNYWNGZJXRWZAU-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF Fc1ccc2c(-c3nc4cc(I)cnc4[nH]3)coc2c1 587175639 VROICVDFINBPHR-UHFFFAOYSA-N 379.132 4.115 0 1 GIAF CC(C)(C)OC(=O)N(Cc1nc2cccc(C(F)(F)F)c2[nH]1)C[C@H]1CCCO1 587197707 UFIZSYSBUNACOL-GFCCVEGCSA-N 399.413 4.498 0 1 GIAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc3c(cc2[nH]1)OCCCO3)C(C)(C)C 587205501 RRCZPGMBBSTGJX-QGZVFWFLSA-N 389.496 4.206 0 1 GIAF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1N 587337361 OZWHDGCYSINQEU-GMAHTHKFSA-N 393.414 4.396 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3cccc(C)n3c1Br)O2 587374261 VMSZKKMCFQMJBF-AWEZNQCLSA-N 386.249 4.002 0 1 GIAF COc1ccc(OCc2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)cc1 587413413 NFYGQKUSRQVCAS-IBGZPJMESA-N 396.468 4.328 0 1 GIAF COc1c(Cl)cc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1Cl 587650794 FEMHUFJVADYVTE-UHFFFAOYSA-N 383.618 4.054 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ncnc2Cl)N1 587705687 NWLVQNZSFLCUCK-INWYIAFRSA-N 391.071 4.309 0 1 GIAF COC(=O)c1ccc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587715467 HUOBRLBPJYVLAP-VVVCHXIZSA-N 396.231 4.138 0 1 GIAF CC[C@@]1(c2c(C)nn(C)c2C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756407 KSDPSZFFNWPOBB-XTZNXHDOSA-N 380.305 4.126 0 1 GIAF C(=C\c1nc2ccc(-n3cnnn3)cc2[nH]1)\c1ccc(OCc2ccccc2)cc1 587784345 QPMWLTDBDNHLHE-JYRVWZFOSA-N 394.438 4.288 0 1 GIAF COC[C@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794552 OWABBBSKZHCRBW-DJJJIMSYSA-N 378.285 4.207 0 1 GIAF Cc1ccc2c(c1)OC[C@]1(CO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832436 BSOFIGGJSMHNAX-BUXKBTBVSA-N 392.268 4.098 0 1 GIAF COc1cccc2c1OCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587836452 VELRCXPQJBADBO-NSPYISDASA-N 392.268 4.157 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)CCO3)N1 587837145 ZRWBCZXDOFPIBE-WYRIXSBYSA-N 376.269 4.321 0 1 GIAF CCOC(=O)c1ccsc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587846958 VMWYXKJEGVPPQT-RFAUZJTJSA-N 398.297 4.450 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)COc1cc(C)on1 587857865 BCSRSPFHTCOASJ-UHFFFAOYSA-N 396.230 4.271 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(O)c(Cl)c1 587866596 GXNWDGSZYJIBNA-UHFFFAOYSA-N 397.740 4.020 0 1 GIAF O=C(Nc1nccs1)Nc1cc(-c2cncnc2)ccc1OC(F)(F)F 653751729 QQTMJZNCEDYJES-UHFFFAOYSA-N 381.339 4.143 0 1 GIAF C[C@]1(c2ccc(S(=O)(=O)C(F)F)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963119002 YLGAHIWZLOSSLG-YWZLYKJASA-N 395.446 4.106 0 1 GIAF COc1ccccc1CN(C)CCC/C=C1\OC(=O)c2cc(OC)c(OC)cc21 1911581211 LSAIAHNBROHOSG-JAIQZWGSSA-N 397.471 4.136 0 1 GIAF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H]4C(=CC=C12)C(=O)N[C@@]4(O)C[C@]3(C)O 2356326470 XLWSRBGCDBHJIY-LEYMRAKSSA-N 397.559 4.023 0 1 GIAF O=C1CC[C@H]([C@H](O)C=CCCCCCC=C(Br)Br)O1 2356716959 CHSPIILKMVACOK-VXGBXAGGSA-N 396.119 4.191 0 1 GIAF CCc1noc(C)c1C(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccccc1 15064158 GMOKPJCTTFXCOU-GOSISDBHSA-N 378.476 4.175 0 3 GIAF Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccnc2ccccc12)N1CCCC1 95570675 RLCQYNWRSNFRBI-JOCHJYFZSA-N 384.487 4.013 0 3 GIAF N=c1ccn(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc12 1509070 ULPZIICAMFBFSQ-UHFFFAOYSA-N 381.479 4.350 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NC[C@H](O)CC 4213354 OBLYCLPDAJCETL-NIKGAXFTSA-N 398.906 4.380 0 1 GIAF O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccccc1Br 13488283 CKTMVJJCJZZQTH-GOSISDBHSA-N 398.256 4.028 0 1 GIAF CN(C)c1ccc(-c2cc3ncccc3c(NCc3cccc(CN)c3)n2)cc1 13489192 PNVYQIRWJHGHDD-UHFFFAOYSA-N 383.499 4.434 0 1 GIAF COc1ccc2c(c1)C(CCNC(=O)C(F)(F)F)=C(Cc1ccccc1)C2 13491252 JDDDHXPCWLVPQC-UHFFFAOYSA-N 375.390 4.316 0 1 GIAF CN(C)c1nccc(N(C(=O)NCc2ccccc2Cl)c2ccc(F)cc2)n1 35951119 YEVLEEZGMMLABB-UHFFFAOYSA-N 399.857 4.383 0 1 GIAF COc1cc(C(=O)NC2CCN(Cc3ccc4ccccc4c3)CC2)ccc1F 36351750 BOXWIXJFKPOECH-UHFFFAOYSA-N 392.474 4.382 0 1 GIAF Cc1c(-c2ccc3c(c2)[C@H](NCCCN2CCCCC2)CC3)cnc(N)c1C 45193059 MAMZMQAQPKILJO-HSZRJFAPSA-N 378.564 4.401 0 1 GIAF CSCCC(=O)N[C@H]1CCCc2c1cnn2-c1ccc(OC(F)(F)F)cc1 45300863 TVORCCNJIAZIDQ-HNNXBMFYSA-N 399.438 4.018 0 1 GIAF Cc1cc2nc(-c3cccs3)n(-c3ccc4c(N)nc(N)nc4c3)c2cc1C 68246439 SVQAULWAXASJJB-UHFFFAOYSA-N 386.484 4.478 0 1 GIAF CCCCNC(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1 82139373 QVNBRKQWYYDNDK-UHFFFAOYSA-N 378.451 4.425 0 1 GIAF COc1cccc(-c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)c1 96937543 BOLMQRQNXIVUII-UHFFFAOYSA-N 383.469 4.196 0 1 GIAF CCCCCCC[C@](C)(O)/C=C/[C@H](NC(=O)OCc1ccccc1)C(=O)OC 139949247 WODFTDUWTSIUTP-KLOKCGCJSA-N 391.508 4.122 0 1 GIAF COc1ccc(-c2csc(C3=C(C)NC(=O)N[C@H]3c3cccc(O)c3)n2)cc1 145393822 GNAYHLKZGRHQQQ-IBGZPJMESA-N 393.468 4.309 0 1 GIAF CCN1CC[C@]23C[C@H]4Nc5ccccc5[C@H]4C[C@H]2[C@H]1Cc1ccc(OC)c(O)c13 169373360 MGSQVKPJFDAIBR-FWDYNCRESA-N 390.527 4.277 0 1 GIAF COc1ccc2cc3n(cc-2/c1=N/CC(C)C)CCc1cc2c(cc1-3)OCO2 169725126 LOFORVTYXWSUNI-VHXPQNKSSA-N 376.456 4.110 0 1 GIAF CC(C)[C@@H]1C[C@H](O)[C@@]2(C)CCC[C@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1 238739035 WIIMMGRJVZSVRB-BHSICBGVSA-N 386.532 4.206 0 1 GIAF CCOc1ccccc1N1C(=O)[C@H]2[C@H]3C=C(Cl)[C@@H](c4ccccc43)[C@@H]2C1=O 252593065 BIUBPNDUNFZVLJ-WBCYEJBOSA-N 379.843 4.208 0 1 GIAF COC(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CC(=O)O[C@]1(C)c1ccccc1 299831102 IVBPCTDJOHHDRE-WOJBJXKFSA-N 392.373 4.270 0 1 GIAF CNc1nc(NCc2ccc(OC(F)(F)F)cc2)cc(-c2ccccn2)n1 299832985 HBGKDBCDSIVHMS-UHFFFAOYSA-N 375.354 4.091 0 1 GIAF C[C@@]12CC3CC(NC(=O)CCn4sc5ccccc5c4=O)(C1)C[C@](C)(C3)C2 299839373 YECNUELCGRKODH-UBWJNLJSSA-N 384.545 4.318 0 1 GIAF COc1cc(Br)cc(C=O)c1OCc1nc2ccc(C)c(C)c2[nH]1 586980111 JFSHOYJQLOTBEZ-UHFFFAOYSA-N 389.249 4.342 0 1 GIAF O=C1c2ccccc2-c2cc(CN3Cc4ccccc4C3=O)nc3ccc(O)c1c23 586988274 OSBMFTWNTNVJOO-UHFFFAOYSA-N 392.414 4.308 0 1 GIAF N[C@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(Br)cc1 586997191 OJAULCAVMOFRRO-SNVBAGLBSA-N 386.080 4.270 0 1 GIAF FC(F)(F)c1cc(-c2nc3ccc(Cl)nc3[nH]2)c(Br)cn1 587114775 HLYYGXYHSNVSGF-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF C[C@H](F)[C@H](N)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587122311 CSTCXDXEWDSYEK-RTHLEPHNSA-N 398.335 4.331 0 1 GIAF COC(=O)c1ccnc2[nH]c(Cc3cccc(-c4ccc(F)cc4OC)c3)nc12 587158753 HOAXTSVRJKIWCB-UHFFFAOYSA-N 391.402 4.150 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nnn(Cc3ccc(Cl)cc3)c1C)O2 587377492 IYIHZHVDGMBPRF-NRFANRHFSA-N 396.878 4.059 0 1 GIAF CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587395571 RMTDJGHQYOCTPW-KOSHJBKYSA-N 390.483 4.147 0 1 GIAF COc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 587414416 VEAJRXOAZRHNCU-KUHUBIRLSA-N 389.245 4.129 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCCc4cccc(Br)c41)[C@@H](C2)C3=O 587417071 JATGTVQBFOYXBE-VBKZILBWSA-N 385.257 4.437 0 1 GIAF COC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418180 BDCWLSXPSQSAEL-BEFAXECRSA-N 378.346 4.003 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCN4CCCCC4)cc1)[C@@H](C2)C3=O 587444988 SWKBWZGDMUSNIC-RDPSFJRHSA-N 393.483 4.049 0 1 GIAF Cc1cc(F)cc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n[nH]c12 587569813 MDVZARSYDVQXQZ-HTAPYJJXSA-N 390.370 4.419 0 1 GIAF CN(C)C1=C[C@@]2(CC(C)(C)C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587572175 OEYGDONMDQVZTF-XXBNENTESA-N 379.456 4.358 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]nc1-c1ccccc1 587591280 CBXZEQOFNSFHGK-AUSIDOKSSA-N 384.391 4.485 0 1 GIAF C[C@](O)(C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607313 HWVHICKUEIBMAY-DLWVHKSHSA-N 394.467 4.300 0 1 GIAF COc1cc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587716121 ITZDHXAHUKFWPO-YYSFKGJASA-N 398.247 4.368 0 1 GIAF COCCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587790851 HDJANSZMOWFCDM-BUXKBTBVSA-N 394.284 4.237 0 1 GIAF CCCCOC(=O)CC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587792348 KJKZDRHCYTVFIH-KZULUSFZSA-N 386.305 4.461 0 1 GIAF CCOC(=O)C1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587794837 HIIPNCXSGOUUAX-VQQRXRCHSA-N 384.289 4.071 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3cccc(O)c23)N1 587807596 XNLCTQSSSVPCEQ-LZVRBXCZSA-N 375.241 4.399 0 1 GIAF COc1cc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587809986 VWOHGFIWSMKOMR-WYRIXSBYSA-N 394.284 4.295 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc(C[C@H]4CCC(=O)[C@@H]4C)[nH]c3c2)cc1 587964025 YLKHAPHQBWDFKD-UKRRQHHQSA-N 378.428 4.300 0 1 GIAF COCCCc1nc2nc(C(=O)c3ccccc3)c(-c3ccccc3)c-2c(O)[nH]1 653810874 JMJZZLQGMNSIDD-UHFFFAOYSA-N 387.439 4.092 0 1 GIAF Cc1sc2ncnc(N3CCC(Oc4ccc5c(c4)CCO5)CC3)c2c1C 653821080 RIAMCTAIJWFTNA-UHFFFAOYSA-N 381.501 4.291 0 1 GIAF NC(=O)c1cncc(OCc2cccc(NC(=O)c3cccc4ccccc34)c2)c1 653859575 KFORATXHWGAQRS-UHFFFAOYSA-N 397.434 4.165 0 1 GIAF Cc1ccnc2c1CCN[C@]2(C)CC[C@@](F)(Cl)C(F)(F)Br 963077126 VIAZSHHXLNUIMZ-OLZOCXBDSA-N 385.655 4.423 0 1 GIAF Cc1ccc2nc(C)c(C(=O)NCCOc3ccc(-c4ccccc4)cc3)n2c1 1772638448 OZHRUPUVQSDDKL-UHFFFAOYSA-N 385.467 4.427 0 1 GIAF CCCOc1ccc2c(c1OC)CCN(Cc1ccc([C@H](C)NC(C)=O)cc1)C2 1772639150 LJFATWZDPLUYNY-KRWDZBQOSA-N 396.531 4.239 0 1 GIAF O=C(NCc1ccccc1)c1cccc(NCc2ncc(-c3ccncc3)[nH]2)c1 1857743643 BBZVXUBFCDUWHJ-UHFFFAOYSA-N 383.455 4.014 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 2356605028 OZHBCCBNHOZTLX-JACRVKRTSA-N 390.564 4.398 0 1 GIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(C)=O)[C@H](C)[C@@]12C 2356689795 ZBEIDAHTEHJVBJ-LKSBREJUSA-N 388.460 4.319 0 1 GIAF CC(=CCc1c(O)cc(C)c(C=O)c1O)[C@H](O)C[C@]1(C)[C@@H](C)CCC(=O)[C@H]1C 2356710381 BQAWIDAQBDWCGH-RMZUICIMSA-N 388.504 4.100 0 1 GIAF Cn1nnnc1Sc1ncnc2scc(-c3cccc4ccccc34)c12 36380209 IJEUXOPSDMCMRX-UHFFFAOYSA-N 376.470 4.186 0 3 GIAF COc1ccc([C@@H](N)c2csc(Nc3ccc(C(F)(F)F)cn3)n2)cc1 61905435 YLPZZILEOZCWSD-OAHLLOKOSA-N 380.395 4.357 0 3 GIAF COc1ccc(N2C(=O)c3n[nH]c(C)c3[C@@H]2c2cccc(C(F)(F)F)c2)cc1 199729440 RYZJSMLHVRKZEK-SFHVURJKSA-N 387.361 4.495 0 3 GIAF O=c1cc(NCCCNCc2ccc(Cl)c(Cl)c2)[nH]c2ccccc12 3923734 NSDYJDCKWMOUKD-UHFFFAOYSA-N 376.287 4.427 0 1 GIAF COc1cccc2c(C(=O)N3CCN4CCC[C@H]4C3)cn(CC3CCCCC3)c12 3928955 VFZFMQYNVZKWNF-IBGZPJMESA-N 395.547 4.150 0 1 GIAF CCOC(=O)OC[C@@H]1O[C@H](c2cc(C)cc(C)c2)C=C[C@@H]1OC(=O)OCC 13783132 MTNRXWGXIGXDEC-BZSNNMDCSA-N 378.421 4.014 0 1 GIAF CC[C@@](O)(c1ccccc1)N1CCC(NC(=O)c2cccc3ccccc23)CC1 28707244 GZABSIWUPRMDGW-RUZDIDTESA-N 388.511 4.289 0 1 GIAF CN1C(=O)[C@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)c2cc(Cl)ccc21 40565116 DARZPDALSPKJHW-FQEVSTJZSA-N 390.870 4.325 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CCC[C@]4(C)[C@@H]3CC[C@]12C 40684743 ARCONGNMKCTCRP-WJZSUSRFSA-N 388.596 4.382 0 1 GIAF CCN(CC)C(=O)c1ccc([C@@H]2CC3(CCNCC3)Oc3ccccc32)cc1 43018460 YHEWTLLIVPRLRS-NRFANRHFSA-N 378.516 4.205 0 1 GIAF COc1cccc(-c2ccc(S(=O)(=O)N(C)c3cccc(OC)c3)cc2)c1 96935508 NIURFBGRZZFAIE-UHFFFAOYSA-N 383.469 4.196 0 1 GIAF O=C(N[C@@H]1COCC[C@H]1NC1CCCC1)c1ccc(C(F)(F)F)cc1C1CC1 118607575 SFCADRZKHYKTKL-RTBURBONSA-N 396.453 4.002 0 1 GIAF CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)C2CC2)n2c1CCCC2)c1ccccc1 143884895 OCNLKBPSCPGUNX-OXQOHEQNSA-N 393.531 4.234 0 1 GIAF CCc1ccc(-c2ccc(C(=O)NCC(=O)N3Cc4ccccc4C3)cc2)cc1 149262408 BWRZUVCBYVNBMR-UHFFFAOYSA-N 384.479 4.188 0 1 GIAF O=C(OCCCF)[C@@H]1[C@@H](c2cccc(/C=C\Br)c2)C[C@@H]2CC[C@H]1N2 169369723 VKZWZSZGPDLBNV-GHSDEDDNSA-N 396.300 4.179 0 1 GIAF CCOC(=O)C1=C(c2cccc(Cl)c2)N=C(C)[C@H](C(=O)OCC)[C@@H]1CC 169721216 KYJJIPPMAHTIRG-HOTGVXAUSA-N 377.868 4.294 0 1 GIAF O=C1c2cc(-c3ccc(C(F)F)cc3)ccc2OCCN1Cc1ncccn1 206195895 IJLDRKVBQBONQQ-UHFFFAOYSA-N 381.382 4.116 0 1 GIAF NC[C@H]1CC[C@H](C(=O)Oc2ccc(CCC(=O)OCc3ccccc3)cc2)CC1 263614505 LPWHBGUXJFSETQ-XUTJKUGGSA-N 395.499 4.033 0 1 GIAF in-vitro CO[C@@H](Cn1nc(-c2ccccc2)c2c(N)nc(SC)nc21)c1ccccc1 473134917 DGZMKJMPNOAZTM-INIZCTEOSA-N 391.500 4.185 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cccc(O)c3[nH]2)C[C@@H]2CCCC[C@H]21 587025154 DZALTVBTENYMEE-UAGQMJEPSA-N 381.501 4.405 0 1 GIAF C[C@H](NC(=O)CC(F)(F)F)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587094891 VQTUYNMOMCHENS-LBPRGKRZSA-N 377.366 4.272 0 1 GIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(C(C)=O)cc2[nH]1 587112129 HGKMEGHJSPGPNJ-LJQANCHMSA-N 389.377 4.184 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ncc(-c3ccc(Br)cc3)[nH]1)O2 587372177 OGEUDUJURCCEAL-QGZVFWFLSA-N 398.260 4.436 0 1 GIAF CCOC(=O)[C@@H](Cc1ccc(C)cc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399102 HWKXQLAUARJNOX-WZONZLPQSA-N 381.472 4.032 0 1 GIAF CCOC(=O)[C@@H](Cc1cccc(C)c1)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399785 MFPXCLUTFMVACD-JPYJTQIMSA-N 381.472 4.032 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ncc(Br)cc1Cl)[C@@H](C2)C3=O 587418338 OWMONKPRCWOEHW-APPDUMDISA-N 394.652 4.169 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1ccsc1N)[C@@H](C2)C3=O 587453815 UHUAYRKTQDRYDD-HTAPYJJXSA-N 377.465 4.339 0 1 GIAF C[C@]1(CCc2ccc(O)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605563 BCVWCFBXAAQHGQ-NFBKMPQASA-N 376.408 4.451 0 1 GIAF CC[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587703109 FTCZETGYYDWRQR-CLAHSXSESA-N 382.195 4.249 0 1 GIAF COc1cc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587720086 RAXJZHQEXNFXRX-CQLKUDPESA-N 386.211 4.499 0 1 GIAF C=C1C=C(C)n2c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc2N1 587774372 MVTXJTGNVLWUON-BMLIUANNSA-N 389.272 4.208 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CCC[C@H]2CC(C(=O)O)C1 587825973 IZKAVWDPLYDQOL-CVRLPPSOSA-N 396.300 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2/C=C/C(=O)O)N1 587829613 RMVORNMNABDOEC-FVEXXERHSA-N 390.252 4.310 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CCO[C@H]1C21CCCC1 587839289 QZOYUKMVVAWHMC-AVKMFKFTSA-N 380.301 4.297 0 1 GIAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(F)cnc(Br)c2[nH]1 587931077 QSOONWUOIOLNCK-BTDLBPIBSA-N 376.229 4.313 0 1 GIAF NC(=S)c1cccc(-c2cn(CCC(F)F)c3cc4c(cc23)CCNC4)c1 1857587313 PCTFQHXITPLNNP-UHFFFAOYSA-N 385.483 4.243 0 1 GIAF COc1ccc(-n2nnc3c2CC[C@]2(C=Cc4cc(Cl)ccc4O2)C3)cc1 1857595475 PLVJMDCEMJPJMI-OAQYLSRUSA-N 379.847 4.263 0 1 GIAF O=c1cc(Sc2ccccc2-c2ccc(C(F)(F)F)cc2)nc(O)n1O 1857771218 GAMDIPUOGIPEIC-UHFFFAOYSA-N 380.347 4.023 0 1 GIAF C[C@@H]1CO[C@@H]2c3c(O)cc4scnc4c3C[C@@H]3[C@H](C(=O)O)CC[C@@H]4[C@H]1CC[C@@]234 2356759250 VUPURRJSLQKYJL-SFTXZVQTSA-N 399.512 4.389 0 1 GIAF CCCCN(C=O)c1c(CC)nc2c(OCCOc3ccccc3)cccn12 61903486 AVQLPGPAVKGDML-UHFFFAOYSA-N 381.476 4.117 0 3 GIAF C[C@]1(C(=O)NCc2ccc(C(F)(F)F)cc2)CCN1Cc1c(F)cccc1F 61908816 HUUGHUMWYAVXHQ-LJQANCHMSA-N 398.375 4.264 0 3 GIAF C[C@]12C[C@H](NC(=O)N1c1cccc(F)c1)c1cc(Br)ccc1O2 2498613 TYWAYISRHDWHOJ-YOEHRIQHSA-N 377.213 4.358 0 1 GIAF CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F 4081810 JSDPZVNRIPCQIC-DOTOQJQBSA-N 381.234 4.313 0 1 GIAF COc1cccc(CN2C(=O)c3ccccc3[C@H](C(=O)O)[C@@H]2c2ccsc2)c1 7007243 HVZHRGIRHPMNOQ-PMACEKPBSA-N 393.464 4.322 0 1 GIAF O=C1C[C@H](c2ccccc2)c2c(O)cc(O)c(C(=O)CCc3ccccc3)c2O1 13397210 AFAVBHVAMSRTSZ-QGZVFWFLSA-N 388.419 4.354 0 1 GIAF biogenic O=C(c1ccc2ncsc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 13441667 SFOMSQRJPFUPFD-UHFFFAOYSA-N 393.468 4.058 0 1 GIAF C[C@@H](NC(=O)N1CCC[C@H]1C(=O)OCCCc1ccc(F)cc1)c1ccccc1 13441722 UTHFXTUSQAWJHQ-UTKZUKDTSA-N 398.478 4.237 0 1 GIAF O=[S@](Cc1cc(OCc2ccc(F)cc2)ccn1)c1nc2cscc2[nH]1 13448741 QPFWKHWHVRRWIO-SANMLTNESA-N 387.461 4.045 0 1 GIAF Nc1ccc(C(=O)N2CCc3c(n(Cc4ccc(O)cc4)c4ccccc34)C2)cc1 14946246 ZCPXMSKVNOHEFZ-UHFFFAOYSA-N 397.478 4.176 0 1 GIAF COc1ccnc2c1CCc1cc(Cl)ccc1C2=C1CCN(C(C)=O)CC1 26016914 INCOAMJITVISKS-UHFFFAOYSA-N 382.891 4.286 0 1 GIAF COc1cc2c(cc1OC)[C@H]1C[C@@](O)(C(C)(C)C)[C@H](CC(C)C)CN1CC2 29570796 KJFMTWUSGJYIOO-BOCKYXSRSA-N 375.553 4.446 0 1 GIAF CCN1C(=O)c2ccccc2[C@@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 43199840 JJCSPUCCIBHSMR-MRXNPFEDSA-N 396.796 4.192 0 1 GIAF CCN1CCC(N(C(=O)NCc2ccc(F)cc2)c2ccc(Cl)cn2)CC1 49072705 HVPUGUKUEQHDMX-UHFFFAOYSA-N 390.890 4.075 0 1 GIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](NC(=O)C(C)(C)C)CC[C@H]4[C@@H]3CC[C@@H]12 49110911 NDJTVRGRUDJMSC-CGXYBBJHSA-N 388.596 4.381 0 1 GIAF COc1cc(-c2nc(-c3cc[nH]n3)n3ccnc(N)c23)ccc1Oc1ccccc1 96168255 BJNGPIGAVYQPGX-UHFFFAOYSA-N 398.426 4.170 0 1 GIAF CC(C)Cc1ccc([C@@H](C)C(=O)CN2C(=O)C[C@H](Cc3ccccc3)C2=O)cc1 101225597 SIEDODCWJQDLIJ-GCJKJVERSA-N 391.511 4.176 0 1 GIAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(F)cc1F)c1cccs1 103190374 ANEIYFWLGDTPGG-HNNXBMFYSA-N 392.316 4.133 0 1 GIAF OCC1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)CC1 139040273 CEOWZGDETRETFE-UHFFFAOYSA-N 376.460 4.221 0 1 GIAF COc1ccc(-c2oc3c4c(cc(OC)c3c(=O)c2O)OC(C)(C)C=C4)cc1 238733781 ZJHQLUWQWLPGES-UHFFFAOYSA-N 380.396 4.367 0 1 GIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 586930677 OXVDJPQGQBXLDS-UHFFFAOYSA-N 399.850 4.192 0 1 GIAF CCc1ccccc1NC(=O)c1nc2c(F)c(F)c(Br)cc2[nH]1 587240662 HFJQFSGIBWTEOZ-UHFFFAOYSA-N 380.192 4.418 0 1 GIAF CCN1CCN(c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c(Cl)c2)CC1 587377763 YRHQIXTWNPWSJP-OAQYLSRUSA-N 399.922 4.079 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C(N)=O)cc3)o1)CC2=O 587470392 MIAYUYSCBSRQHU-NRFANRHFSA-N 391.423 4.410 0 1 GIAF COc1ccc(F)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567721 BIGOPBSZBMYILK-SIKLNZKXSA-N 380.371 4.417 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@]1(c2ccccc2)CCOC1 587615235 FOXJGUAGNHLGID-ZTCOLXNVSA-N 388.419 4.081 0 1 GIAF CC(=O)Nc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587742379 KTZCTYRGVUGMKA-NSPYISDASA-N 391.284 4.479 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-n2cccn2)N1 587758829 JNPIDJVHCPHMJI-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF COc1cc(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 587775323 ZEMJQCBGENMKDW-NHYWBVRUSA-N 379.273 4.200 0 1 GIAF COCCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587791912 JTCJJAWYYGVPSL-BUXKBTBVSA-N 394.284 4.237 0 1 GIAF CCCCc1ccc(-n2c(O)cc(CCC(=O)O)c2O)c(Br)c1 587937813 VSOKAFQSIQZLEA-UHFFFAOYSA-N 382.254 4.011 0 1 GIAF Fc1cccc2c1[C@H](c1cc(-c3ccc4c(c3)OCO4)no1)N1CCC[C@@H]1C2 963101795 LXTTYIGFEOXIMJ-QRQCRPRQSA-N 378.403 4.319 0 1 GIAF CN1CCc2c(Br)cccc2[C@]1(C)c1cnc(Cl)nc1Cl 963268958 BZYNIYOWDFRHHF-OAHLLOKOSA-N 387.108 4.297 0 1 GIAF COc1ccccc1-c1cc(N(Cc2ccccc2)Cc2ccccn2)nc(=N)[nH]1 1857549008 PYQASECWXQVLOF-UHFFFAOYSA-N 397.482 4.167 0 1 GIAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@@H](O)[C@H]1CC=CCCCC(=O)OCC 2356370508 AZSPHVCKQYRXFJ-SLFFLAALSA-N 380.525 4.162 0 1 GIAF C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356628347 PGZROPJTNZDXFV-GPXXPVBJSA-N 390.656 4.496 0 1 GIAF COc1cc(OCC=C(C)C)c(OC)c(-c2coc3cc(O)cc(O)c3c2=O)c1 2356726827 XXAVBKIAJPATJF-UHFFFAOYSA-N 398.411 4.233 0 1 GIAF O=C(CCc1ccccc1)N1Cc2cc(-c3ccccc3)ccc2-n2nncc2C1 72141695 XZJYBRNKYFTKBZ-UHFFFAOYSA-N 394.478 4.409 0 3 GIAF COc1cc(OC)c([C@@H]2CC=Cc3c(OC)cc(OC)c(OC)c32)cc1OC 5811260 HEVCGGWNZOCYBP-ZDUSSCGKSA-N 386.444 4.287 0 1 GIAF biogenic COc1ccc(C2=NN(Cc3ccccc3)C(=O)[C@@H]3CCCC[C@H]23)cc1OC 13474095 SPNSPIATZGICGL-RBUKOAKNSA-N 378.472 4.257 0 1 GIAF COc1ccc(C(=O)c2c(C)n(C[C@@H]3CSCCN3C)c3ccccc23)cc1 26272644 LNTRJQSUSFTUQB-GOSISDBHSA-N 394.540 4.237 0 1 GIAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2cc([C@@H](C)O)oc12 26275448 VSLZRLVOASPJGZ-MRVPVSSYSA-N 381.215 4.449 0 1 GIAF O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@@H]1CCC[C@H]2C=CC=C[C@@H]21 27519668 HBNIAKXTMMHNGE-RZUBCFFCSA-N 390.527 4.315 0 1 GIAF O=S(=O)(N[C@H]1[C@H]2CC[C@@H]1Cc1cccc(F)c1C2)c1ccc(Cl)s1 28353012 YTBSSZLYKCFJCT-BWACUDIHSA-N 385.913 4.013 0 1 GIAF CC(C)(Cc1cc(F)cc(F)c1)NC[C@H](O)c1cc(Cl)c(N)c(Cl)c1 45255295 HFMVPHZRVZPYOC-INIZCTEOSA-N 389.273 4.498 0 1 GIAF CCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2cccc(OC)c2c1=O 49110118 VJDMCUNRTCMWDU-UHFFFAOYSA-N 391.345 4.399 0 1 GIAF Cc1ccccc1OCc1ccccc1-c1nn(CN2CCOCC2)c(=S)o1 64448172 GNHQLJFBZWNNNQ-UHFFFAOYSA-N 397.500 4.050 0 1 GIAF CCc1c(-c2ccc(Oc3ncccc3C(F)F)cc2C)n(C)c(O)nc1=O 261087789 CWXYNPWPCSFSPW-UHFFFAOYSA-N 387.386 4.149 0 1 GIAF CCCOc1cc2nc(CSC(C)(C)C(=O)O)[nH]c2cc1Br 586959790 QOQPNZXVNGXMAH-UHFFFAOYSA-N 387.299 4.211 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3ccnc(Cl)c3[nH]2)[C@@H]1c1ccccc1Cl 587061650 PJUOKDDFIBCWTI-BZNIZROVSA-N 375.259 4.342 0 1 GIAF Cc1cc(Br)c2[nH]c(C3(C(=O)OC(C)C)CC(F)(F)C3)nc2c1 587130190 GSPMNSLQLRZYDE-UHFFFAOYSA-N 387.224 4.252 0 1 GIAF Fc1cccc([C@@H]2C[C@H]2c2nc3cc(I)cnc3[nH]2)c1F 587150685 DPAZHRXVVPLMFO-VHSXEESVSA-N 397.166 4.112 0 1 GIAF O=C1C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc2O1 587354779 BDOFFVXKNOGHPV-GGAORHGYSA-N 390.366 4.095 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(F)ccc1I)O2 587387261 PIFJCUNXCLDBKW-OAHLLOKOSA-N 397.187 4.027 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCCCC[C@H]1NC(=O)OC(C)(C)C)[C@@H](C2)C3=O 587433709 UWNDDLRTHVUTJM-LBUQITIBSA-N 387.476 4.039 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C4(CCC4)C1)[C@@H](C2)C3=O 587443961 NMUOCTIUKZFPCW-QMHKHESXSA-N 399.487 4.135 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1F 587470692 GNMQPBCUFPEKMO-UTKZUKDTSA-N 393.455 4.028 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1cc(F)cc(F)c12 587567456 CUKAAZVTZBYNCY-SIKLNZKXSA-N 396.345 4.310 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1Cc1cccnc1 587576922 LGWDFQILBGUXCS-ZJSXRUAMSA-N 398.418 4.340 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Cn1cccn1 587581518 LUGBMAMGDBTRGM-QPPBQGQZSA-N 398.418 4.340 0 1 GIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587600680 OZIAGBRERKVJHJ-DENIHFKCSA-N 378.380 4.112 0 1 GIAF C[C@@]1(c2csc(C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610250 BIWYHPHWFZJNRO-JXFKEZNVSA-N 382.393 4.029 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CCN1CCCCC1 587866785 PMISKOWTHIHHOK-UHFFFAOYSA-N 395.425 4.484 0 1 GIAF COc1cccc(-c2cc(=O)n3nc(C)c(Cc4ccc(Cl)cc4)c3[nH]2)c1 653675521 SUJWFNLQCZDSLP-UHFFFAOYSA-N 379.847 4.251 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CC2OCCO2)(c2ccc(F)c(F)c2)N1 962963920 XHIPTHVHSCLDPC-IQMFZBJNSA-N 398.453 4.377 0 1 GIAF CC[C@H](C)[C@]1(C(C)C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963148369 QAGJTWBZUSIBKB-BBEJJTJUSA-N 382.526 4.287 0 1 GIAF CCN(C(=O)Oc1ccc(F)cc1)c1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C 1857751900 MRTNNCLFDKSIJW-CQSZACIVSA-N 397.450 4.185 0 1 GIAF COc1cc(OC)c([C@@H]2CC=Cc3cc(OC)c(OC)c(OC)c32)cc1OC 2356420794 NNRIXDXVJQTLOC-AWEZNQCLSA-N 386.444 4.287 0 1 GIAF O=C(c1cnccn1)N1CCC[C@@]2(CCN(c3cccc(-c4ccccc4)c3)C2)C1 3956123 YEYLNZGNOUNHSC-VWLOTQADSA-N 398.510 4.276 0 1 GIAF CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2ccccc2)CC1 5768110 GARXJOUQUSNOGK-UHFFFAOYSA-N 380.532 4.153 0 1 GIAF in-vivo Cc1oc(-c2ccccc2)nc1CCOc1cccc([C@@H](C)N(O)C(N)=O)c1 13603997 QDZIMWHVQAFJOS-CQSZACIVSA-N 381.432 4.102 0 1 GIAF N=C(NCCCc1c[nH]cn1)NCC[C@@H](Cc1ccccc1)c1ccc(F)cc1 13816583 ONAVRKQWVRBIKW-FQEVSTJZSA-N 393.510 4.012 0 1 GIAF COc1cc([C@@H]2c3cc(OC)c(O)c(OC)c3C=C(C)[C@@H]2C)cc(OC)c1O 14435368 FTMPPAUMNSIYCL-HXPMCKFVSA-N 386.444 4.317 0 1 GIAF biogenic N[C@H](COc1cncc(-c2nc(-c3cccnc3)cs2)c1)Cc1ccccc1 14957421 GEHWXRIGTGFLEJ-IBGZPJMESA-N 388.496 4.216 0 1 GIAF O=C(C(=O)N1CCCC[C@H]1C(=O)OCCCC1CCCCC1)C1CCCCC1 27561281 UKRQXJTZXSEWIU-FQEVSTJZSA-N 391.552 4.421 0 1 GIAF CC(C)(CO)c1ccc(CNC(=O)c2ccc(Oc3ccccc3)cc2)cc1O 28529725 HOUXGOLWMLYROP-UHFFFAOYSA-N 391.467 4.384 0 1 GIAF COc1cccc(-c2ccc(OCC(=O)Nc3cccc(C(=O)O)c3)cc2)c1 35323827 FWZMZTUTXWZJEE-UHFFFAOYSA-N 377.396 4.078 0 1 GIAF O=C1O[C@@H](CCc2ccccc2)C(=O)[C@@H]1SCc1cccc(C(F)(F)F)c1 35859797 LHGGVYPISQCFNW-WMZOPIPTSA-N 394.414 4.435 0 1 GIAF CCCN[P@](=O)(OC)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 40395738 CNEWOAMXZLQZFA-HFJWLAOPSA-N 376.393 4.451 0 1 GIAF Nc1ccccc1-c1nnc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)o1 43063170 PXFVTKIVKMUJED-UHFFFAOYSA-N 397.847 4.348 0 1 GIAF Oc1cc(Nc2ccnc3cc(I)ccc23)ccc1F 45195259 NTWYGPDWSDBWSS-UHFFFAOYSA-N 380.160 4.428 0 1 GIAF O=C(Nc1ccc(-c2nnc(NCCCN3CCCCC3)o2)cc1)C1CCCC1 84633856 XYMQGCHUXQMBNK-UHFFFAOYSA-N 397.523 4.153 0 1 GIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](C)O 98065451 GMLYBWDTQYGRCD-OZFWPNGRSA-N 376.537 4.138 0 1 GIAF CCOc1ccccc1[C@H]1/C(=C(\O)OC2CCCCC2)C(C)=Nc2ncnn21 103531699 LYQKMKINZDJXCC-WOOAAIBNSA-N 382.464 4.491 0 1 GIAF COc1ccc(-c2cn(C)c(CSc3nc4cc(C)cc(C)n4n3)n2)cc1 113421420 REGXVVLOXIBIOD-UHFFFAOYSA-N 379.489 4.048 0 1 GIAF CCNC(=O)Nc1cc(Nc2ccccc2)c(C(=O)Nc2ccccc2)cn1 144745330 YSAOQGLUGNNBME-UHFFFAOYSA-N 375.432 4.219 0 1 GIAF CCCOc1cnc(N2CC[C@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c(C)c1 169709228 RJKNKKHLHQEWJY-UWJYYQICSA-N 397.519 4.034 0 1 GIAF O=S(=O)(NCc1ccc(-c2ccccc2)cc1)c1cc2ccc(F)cc2[nH]1 203659293 LUFXVTHNXALLFI-UHFFFAOYSA-N 380.444 4.453 0 1 GIAF CC1(C)[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)C1[C@H]2CC3C[C@H]1CC(O)(C3)C2 205476177 DEWFBSPLFZYLKD-JSGGVWEOSA-N 393.571 4.315 0 1 GIAF CCO[C@@H](C)c1nc(C)c(-c2nc3c(F)cnc(Br)c3[nH]2)s1 587013674 ASZGODRAMJCMCU-ZETCQYMHSA-N 385.262 4.389 0 1 GIAF Clc1ccc(-c2ccc(-c3nc4c(Br)nccc4[nH]3)cc2)nn1 587084909 JCSXASHSAALKFK-UHFFFAOYSA-N 386.640 4.498 0 1 GIAF Clc1ncc(-c2nc3cc(Br)c(Br)cc3[nH]2)cn1 587085852 KWDLXXFVCSLIDX-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF O=C1C[C@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F 587147794 BLNOAXFIZXBOKF-VIFPVBQESA-N 397.212 4.059 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3cccc(C(F)(F)F)c3[nH]2)CCC(O)CC1 587236590 AYYKGMHMWLSVHE-UHFFFAOYSA-N 399.413 4.237 0 1 GIAF COc1cc(Cl)ccc1-c1cccc(-c2ccc3c(O)nc(O)nc3n2)c1 587368577 METGMJVXCZBCNZ-UHFFFAOYSA-N 379.803 4.432 0 1 GIAF COc1ccccc1/C=C1/N2CCC(CC2)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587395621 SPKQGMJOGLABRM-JGTYQCAFSA-N 390.483 4.057 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCCCC1)(c1cc(C)c(O)c(C)c1)O2 587402390 ZWYMQWVGDFOZHV-DEOSSOPVSA-N 394.515 4.246 0 1 GIAF COc1ccc2[nH]c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587528007 WCEOCPZYSKETEI-OAQYLSRUSA-N 375.424 4.122 0 1 GIAF CCO[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C12CCCC2 587601861 VDUDMZLWVYCPDP-DNVFCKCGSA-N 380.440 4.462 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccncc2)N1 587779505 SWZNRBNNFFZTAB-ADLMAVQZSA-N 377.257 4.006 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cc3ccc[nH]3)[nH]2)N1 587791284 LBHAVZRSZCBDRJ-NSPYISDASA-N 388.284 4.459 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ncc[nH]2)(c2cccs2)N1 587850782 FSTHNDMYTGCKFT-BMLIUANNSA-N 392.297 4.199 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccncc1Cl 587860662 BUGIKAFQSOFIQN-UHFFFAOYSA-N 381.741 4.314 0 1 GIAF Cn1c(SCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)nc2ccccc21 587876997 XJWAJKQVFDRXBH-UHFFFAOYSA-N 380.404 4.114 0 1 GIAF Cc1ccc2c(c1)cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)CNCC2 653793710 ZOVFVICKRMORLF-UHFFFAOYSA-N 383.499 4.295 0 1 GIAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2[nH]ccc2Cl)N1 963180668 NQRIFLRIXSROIC-VXGBXAGGSA-N 379.165 4.029 0 1 GIAF O=C(COc1ccc(-c2cccc(Cl)c2)cc1)Cn1nnc2ccccc21 1772569873 PAXBMOPAQIRJLP-UHFFFAOYSA-N 377.831 4.400 0 1 GIAF Cc1cccc([C@@H](C)N=c2[nH]c(C)nc3ccc(C4CCS(=O)CC4)cc23)c1 1857604990 BRWLHQJLBVDLAT-VHGGRUAHSA-N 393.556 4.468 0 1 GIAF O=C(NCCCCCCNCc1ccccc1)c1cc(Cl)nc(Cl)c1 1857635672 KZSCJDQFJGAFHT-UHFFFAOYSA-N 380.319 4.468 0 1 GIAF Cc1nc(-c2cccs2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccco2)n1 2356833984 KKRDVQJYAMFFAI-YQVWRLOYSA-N 394.544 4.074 0 1 GIAF CCOc1ccccc1N1C(=O)[C@H]2[C@H]3C=C(Cl)[C@H](c4ccccc43)[C@@H]2C1=O 5175279 BIUBPNDUNFZVLJ-DSYPUSFNSA-N 379.843 4.208 0 1 GIAF COc1c2c(c(O)c3c(=O)c(-c4ccc5c(c4)OCO5)coc13)C=CC(C)(C)O2 14687519 GPUNQFPZSMIZCV-UHFFFAOYSA-N 394.379 4.087 0 1 GIAF biogenic c1cc(CN2CCCCC2)cc(OCCCN2CCC(Cc3c[nH]cn3)CC2)c1 28570895 KUGSTHBSRVWQKD-UHFFFAOYSA-N 396.579 4.119 0 1 GIAF O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1ccnn1CCc1ccncc1 28822057 LMEHSVKTVLMKTO-UHFFFAOYSA-N 394.784 4.445 0 1 GIAF CC[C@]1(CCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)Nc2ccccc21 29055164 KKWOYMMBRXQJHI-XMMPIXPASA-N 395.522 4.418 0 1 GIAF C[C@@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)NCc3cccs3)cc2)C1 43204917 MWATVQYCLGPJBC-VQIMIIECSA-N 384.549 4.133 0 1 GIAF O=c1ccn(-c2ccc3ncccc3c2)nc1-c1ccnn1-c1cccc(Cl)c1 68245689 XTWQWVGEILJQIM-UHFFFAOYSA-N 399.841 4.287 0 1 GIAF CCc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 71317778 PQILOOSGRZHNBG-UHFFFAOYSA-N 394.906 4.255 0 1 GIAF Cc1nc2cc(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)ccc2o1 84671240 UWKLENCDKKIQFX-UHFFFAOYSA-N 383.521 4.109 0 1 GIAF Cc1cccc2cc([C@H](C)Nc3nc(Cl)nc4[nH]cnc34)n(C3CC3)c(=O)c12 88345781 QERPBXNHDSQCFW-NSHDSACASA-N 394.866 4.138 0 1 GIAF CC1(C)C=Cc2cc(CN(C3CCCC3)S(=O)(=O)c3ccccn3)ccc2O1 95552943 MGTMVSVKJBOHDN-UHFFFAOYSA-N 398.528 4.399 0 1 GIAF COc1ccc2c(c1)[C@@]1(COC(N)=N1)c1cc(-c3ccnc(Cl)c3)ccc1O2 95579624 VAZIEHLSWRALTQ-OAQYLSRUSA-N 393.830 4.105 0 1 GIAF O=C(Nc1ccncc1)[C@H](Cc1c[nH]c2ccccc12)NCc1ccccc1F 96931983 QYKDEFGGVGAWEE-QFIPXVFZSA-N 388.446 4.042 0 1 GIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(C(C)=O)c3)cc2)C[C@@H]2CC[C@@H]1N2C 100802725 CGGKEMRCMPNIGU-GSPCLOLRSA-N 377.484 4.296 0 1 GIAF CN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1cccc3oc(-c4ccc(F)cc4)nc13)C2 101372601 ILEZUEGFQWZUOZ-QZTJIDSGSA-N 393.462 4.379 0 1 GIAF COC(=O)c1cccc(NS(=O)(=O)c2sc3c(Cl)cccc3c2C)c1 114593114 HMNBCQUGBQFWBR-UHFFFAOYSA-N 395.889 4.451 0 1 GIAF Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CNC(=O)C2CC2)cc1 142201309 NAXDXJNQDIRWFV-UHFFFAOYSA-N 385.467 4.214 0 1 GIAF Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CN5CCCCC5)n4)cc23)cc1 164778357 MERCGVFMYNLYOM-UHFFFAOYSA-N 376.439 4.140 0 1 GIAF Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc(-c2ccccc2F)n1 203883034 KUXAWZHUATUITM-FQEVSTJZSA-N 378.403 4.142 0 1 GIAF Oc1cccc([C@@H](O)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 586888086 BEFNTTIZMKVUID-CYBMUJFWSA-N 387.155 4.132 0 1 GIAF CCc1c([C@H](CC)C(=O)OC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991311 JGUATVZDQJSONM-ZDUSSCGKSA-N 375.424 4.381 0 1 GIAF O=C(c1cccc2ccccc12)c1c(CO)oc2cc(Br)cnc12 587276289 LSKDYLWLCGUGCO-UHFFFAOYSA-N 382.213 4.467 0 1 GIAF CN1[C@H]2CCC[C@@H]1C[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332461 AKTCPWCQYHHEAG-BPVRBSMNSA-N 381.447 4.276 0 1 GIAF Nc1cccc2c1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333159 HUVDAZJFLIPSBA-GMAHTHKFSA-N 375.399 4.314 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(Br)cc1F)[C@@H](C2)C3=O 587424615 QDTHAMMSDWBZFN-KPZWWZAWSA-N 377.209 4.394 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(OC)cc1)CC2=O 587468842 KKMBCBZHJOGQRL-YAOQVBECSA-N 381.472 4.289 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCCc3oc(C(=O)OC)c(C)c31)CC2=O 587485223 UFZGYDIDYAPMCH-JOCHJYFZSA-N 384.428 4.230 0 1 GIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1O 587545772 PKPVMMRHORUSAY-IERDGZPVSA-N 398.798 4.463 0 1 GIAF CCCCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2cc(Cl)c(F)cc12 587630770 CKBGREZTGYIYEJ-INIZCTEOSA-N 394.874 4.057 0 1 GIAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)CCN1C(=O)c2ccccc2C1=O 587631462 BXEQGMWTXWBAMO-UHFFFAOYSA-N 384.794 4.138 0 1 GIAF COc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)nn1C 587760578 YXWSLCCIKMWBRR-BTDLBPIBSA-N 396.304 4.077 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3cnn(C)c3c2)N1 587761460 UOAAGNTWKVYKHI-NSPYISDASA-N 388.284 4.273 0 1 GIAF COc1ccc2[nH]c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2n1 587800604 BWMSMPYIHORRFL-LZVRBXCZSA-N 390.256 4.097 0 1 GIAF COC(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587812500 ZPJQGWIQVMXWGT-NSPYISDASA-N 392.268 4.173 0 1 GIAF Cc1ccccc1C(C)(C)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587955732 UXRDQVHPEYSCGG-UHFFFAOYSA-N 382.407 4.491 0 1 GIAF O=C(/C=C/C=C/c1ccccc1)NCCN=c1c2c([nH]c3ccccc13)CCCC2 653707770 QBMDQOJQCOMMRW-WEKQWVTASA-N 397.522 4.333 0 1 GIAF CC(C)Oc1ccc([C@]2(CCCCC(=O)O)NCCc3ccc(O)cc32)cc1 963329709 RJPRDEVKRSJMIT-QHCPKHFHSA-N 383.488 4.214 0 1 GIAF COc1ccc2nc(NC(=O)c3ccc(C(=O)N4CCCCC4)cc3)sc2c1 1911584528 BESDIJMOOGUNEC-UHFFFAOYSA-N 395.484 4.183 0 1 GIAF C[C@H](NC(=O)C1CCCCC1)c1c(-c2ccc(Cl)cc2)noc1C(=O)O 2356300373 UVRISKATXZSRCI-NSHDSACASA-N 376.840 4.451 0 1 GIAF C[C@H](CCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@H](C)[C@H](O)C[C@@H]1O 2356344837 GOMRKSMHAWREDI-BKZNIZDZSA-N 388.545 4.014 0 1 GIAF CC1=CCC(C)(C)C=CC[C@]2(C)Oc3cc(O)c(=O)cc(C)c3C[C@@H]2C[C@@H]1O 2356379376 REJAHZFROGUZPE-VUMVONDWSA-N 384.516 4.444 0 1 GIAF O=C(c1noc2c1CCCC2)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccccn1 11933893 MENYGPOSBAICNX-HSZRJFAPSA-N 398.466 4.218 0 3 GIAF N[C@H](Cc1ccc(F)cc1)c1csc(Nc2nccc(C(F)(F)F)n2)n1 61895503 FHYVEWAJTCHXAM-LLVKDONJSA-N 383.374 4.077 0 3 GIAF Cn1c(-c2ccc([S@@](C)=O)cc2)nc2c(Sc3ccc(F)cc3)ncnc21 13608651 XPURHJVHWKAYJR-MHZLTWQESA-N 398.488 4.058 0 1 GIAF CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3ccc(F)cc3)o2)c1 13611311 QKSJQFXYMMEPRF-UHFFFAOYSA-N 376.409 4.027 0 1 GIAF CN1CCN(Cc2ccc3n2Cc2ccccc2S[C@@H]3c2ccccc2)CC1 22939375 ZGTWROLAOLNDGR-XMMPIXPASA-N 389.568 4.479 0 1 GIAF COc1ccc(CN2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccs3)c2=O)cc1 25232637 FZMUZGVGOBWUMN-MSOLQXFVSA-N 392.524 4.205 0 1 GIAF biogenic Cc1cc(NC(=O)[C@@H]2C(=O)N3c4ccc(F)cc4Cc4cc(F)cc2c43)ns1 26161681 HUOWMAKFFMEGQP-QGZVFWFLSA-N 397.406 4.035 0 1 GIAF CN1Cc2cc(OCCCN3CCCCC3)ncc2[C@@H](c2ccccc2F)C1 28883528 NSQUWNMLCJNORP-OAQYLSRUSA-N 383.511 4.053 0 1 GIAF CCOc1cc2c(cc1O)[C@@H](NC(C)=O)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 38159539 YRMUBJUOYFERGW-ZKOHZWKESA-N 387.520 4.033 0 1 GIAF Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)NCCCN3)oc2ccccc12 45254070 XSKYUXOMNYYVBJ-CMDGGOBGSA-N 376.460 4.036 0 1 GIAF CCOC(=O)N1NC(=O)N(c2ccccc2)C1(c1ccccc1)c1ccccc1 45301656 WHHQPXONWKZAFI-UHFFFAOYSA-N 387.439 4.491 0 1 GIAF C[C@H]1CCc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccc(Br)cc12 49037519 UUKQKTKLSBUXEX-PRWKNARSSA-N 396.288 4.050 0 1 GIAF Fc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1 96176121 FUUWOHHJIKTUIR-UHFFFAOYSA-N 398.239 4.305 0 1 GIAF Cc1nn(CC(F)(F)F)c(CSC2=NOC(C)(C)C2)c1Br 103220288 UDKUXLYPQBRNHD-UHFFFAOYSA-N 386.237 4.262 0 1 GIAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@H]3[C@H](CCCCCc4ccc(O)cc4)[C@H]4C=C[C@@H]1[C@@H]2[C@@H]34 169332708 UFUIABFILCOVIM-ODPTYIABSA-N 394.511 4.181 0 1 GIAF COC(=O)[C@]1(/C=C2\c3ccc(F)cc3[C@H](OC)[C@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 195426336 VVOONWVRIYRRAY-FRLSXXTRSA-N 380.415 4.264 0 1 GIAF C[C@@H]1CCCN1c1cccc(Nc2cc(-c3cccc(C#N)c3)nn3ccnc23)n1 204928512 PZWFFIQEBVUCCF-MRXNPFEDSA-N 395.470 4.395 0 1 GIAF Cc1nnc2sc(C(=O)NCc3ccc(-c4ccccc4)cc3)c(N)c2c1C 221821994 HPKJBFJEFUMCOF-UHFFFAOYSA-N 388.496 4.487 0 1 GIAF CO[C@@H]1C[C@@]2(CC[C@]3(O2)[C@@H](C)C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]23C)CO1 238779524 FZZTZQBZRHIDKL-RUXYPJOLSA-N 394.552 4.471 0 1 GIAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ccc(C(C)C)cc1 299839081 PRPSNHVFHONIRA-UHFFFAOYSA-N 391.851 4.233 0 1 GIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 586948223 LGHXQZXDQQJSSK-UHFFFAOYSA-N 399.394 4.279 0 1 GIAF O=[S@@](CCCc1nc2c(Cl)ccnc2[nH]1)c1ccc(Br)cc1 586959583 KJCSTISHTMQHOO-QFIPXVFZSA-N 398.713 4.114 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)c(OC)c1)[C@@H](C2)C3=O 587414718 WTZRXZGDCCGDKD-DJJJIMSYSA-N 389.245 4.129 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4CCc4cc(O)ccc41)[C@@H](C2)C3=O 587449937 KKYJVLDNXBAING-OFVILXPXSA-N 384.431 4.191 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1sc(N4CCCCC4)nc1Cl)[C@@H](C2)C3=O 587453181 VNGZBKPXGOCWLG-BLLLJJGKSA-N 390.892 4.284 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(O)ccc(O)c1Br)CC2=O 587456256 LPPBAIGASFOOCU-HNNXBMFYSA-N 393.233 4.225 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1ccc(Cl)cn1)CC2=O 587462696 QSLXRVQBSDUVJL-HXUWFJFHSA-N 389.835 4.119 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H]1CNC(=O)OC(C)(C)C)CC2=O 587471873 WDMHRYYZRCYDRX-FPTDNZKUSA-N 389.492 4.374 0 1 GIAF CC1(C)[C@H]2CC[C@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O 587604669 VEASUAYMNPSCQR-WCQWESQNSA-N 378.424 4.118 0 1 GIAF CC(=O)Nc1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614390 SEIPDRIAAPRUNN-QFBILLFUSA-N 381.409 4.115 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Br)[nH]2)N1 587680319 IKGVMBXTECXHIY-WJWGPLDTSA-N 388.078 4.302 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)cnn2CCF)N1 587716914 KJOMMUPAGQZKDY-CLAHSXSESA-N 390.659 4.031 0 1 GIAF CC(=O)C[C@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587727338 OEICIUXOGGEFII-JEOXALJRSA-N 394.259 4.484 0 1 GIAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(N)c1C 587745550 FYUBXKKIJGOXNB-DGIBIBHMSA-N 393.300 4.285 0 1 GIAF Ic1cccc2nc(COC/C=C\c3ccccc3)[nH]c12 587781112 PPNJLGPTCZNFEG-YVMONPNESA-N 390.224 4.398 0 1 GIAF COCCOC[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587792850 LQEJURAAWQRZEF-KZULUSFZSA-N 388.321 4.027 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ncc[nH]2)N1 587796045 ZTMRUPPLHUWTKN-BUXKBTBVSA-N 386.268 4.137 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)CNCC3)N1 587799498 XJWPYKUPUHPUKS-YUNKPMOVSA-N 389.312 4.032 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)[nH]c3ccccc23)N1 587803338 PDZJEWAYHHDMOT-XYZCENFISA-N 375.241 4.399 0 1 GIAF COC(=O)C[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587809067 QBOHREMZRLWHLE-SUFBMKPHSA-N 384.289 4.071 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@@]1(C)CC[C@@H]2C1(C)C 587817558 MGADWBINPZIUPX-UAUIPOHESA-N 380.301 4.343 0 1 GIAF Cc1ccc(C(=O)O)cc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587828740 UYJRLDUUAXJYRA-NSPYISDASA-N 392.268 4.393 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C(=O)NC(CC)CC 587859534 YQNRWJROLSNAKG-UHFFFAOYSA-N 398.290 4.201 0 1 GIAF COc1cc([C@@H]2NCCc3cnc4c(OC)cccc4c32)c(OC)cc1SC 963052831 DXLUIARPAUFZPQ-QFIPXVFZSA-N 396.512 4.218 0 1 GIAF CC[C@]1(c2ccncc2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963192017 XULZDDLCDFHCKE-NVXWUHKLSA-N 384.785 4.006 0 1 GIAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1ccc(C(C)(C)C)nc1 963196521 XBICKRNSTXMFPD-JOCHJYFZSA-N 396.531 4.137 0 1 GIAF CCCCCOc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(CO)C3)cc1CC2 1857655665 HUGHPKMOCHCBTI-HTAPYJJXSA-N 386.561 4.435 0 1 GIAF O=C(NCCCCCCCn1nnc(-c2ccccc2)n1)Oc1ccccc1 1857761809 NZGKVRYMTAMGTJ-UHFFFAOYSA-N 379.464 4.079 0 1 GIAF CC(=O)CC[C@@H]1[C@@H]2[C@H](O)[C@H](C(C)C)[C@H](OC(=O)/C=C/c3ccccc3)C[C@@]21C 34238690 MZRGOEIFXVZAOF-PTXCEPTKSA-N 384.516 4.270 0 3 GIAF COC(=O)C1=C(c2ccc3ccccc3c2)C[C@@H]2CC[C@H]1N2C(=O)NC(C)C 36384229 GWPJOONRFXBPFM-AZUAARDMSA-N 378.472 4.121 0 3 GIAF O=C(NCC1CC1)[C@@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61930816 IRCBIOSXQNTUNU-QFIPXVFZSA-N 386.451 4.371 0 3 GIAF O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@@H]1Cc1ccccc1 13674434 QVJDPQPQRZODAN-GOTSBHOMSA-N 376.500 4.059 0 1 GIAF C[C@H](/C=C/C(=O)O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C 33820894 QKMUYLAFPCTBBC-GYMAPVEQSA-N 386.532 4.094 0 1 GIAF Cc1ccc([C@@]2(O)[C@H](c3ccccc3)C[C@H]3C(=O)c4ccccc4NC(=O)[C@@H]32)cc1 36519505 ZVVJPZKDRYPACZ-KNZHSQOXSA-N 397.474 4.438 0 1 GIAF O=C(O)C1=CCCN([C@H]2CC[C@@]3(Cc4cc(F)ccc4Cc4ccccc43)C2)C1 43202670 PXJLHYOGLFJGQN-WIOPSUGQSA-N 391.486 4.480 0 1 GIAF COc1cc(Nc2nccn3c(-c4ccsc4)cnc23)cc(OC)c1OC 45193428 JJMUURHMRJUCBT-UHFFFAOYSA-N 382.445 4.227 0 1 GIAF CN(c1ccc(Br)cc1F)c1ncnc2cc3c(cc12)OCO3 64447346 FWLSZHLGGCRDNT-UHFFFAOYSA-N 376.185 4.028 0 1 GIAF Cc1sc(-c2ccccc2C(N)=O)cc1C(=O)Nc1nc2c(s1)CCC2 72177787 ZCJPOELSNPEHQF-UHFFFAOYSA-N 383.498 4.020 0 1 GIAF COc1ccc(C2=NO[C@H](CC(=O)Nc3cc(C(C)C)c(O)cc3C)C2)cc1 82153045 IEPGULXATGJHFQ-KRWDZBQOSA-N 382.460 4.354 0 1 GIAF OC[C@@H]1[C@H](c2ccc(C3=CCCC3)cc2)[C@@H](CNC2CCCC2)N1CC1CC1 95871745 AYIYKAKLQJLACH-UBFVSLLYSA-N 380.576 4.325 0 1 GIAF Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@@H]3C(NN)=NC=N[C@H]32)cc1 98084648 RQEUIRNAGOHDJJ-RDGATRHJSA-N 393.494 4.230 0 1 GIAF CCCc1cc(=O)oc2cc(OCCN3CCCC3)c3c(c12)OC(C)(C)C=C3 169342058 NGHUMSLWZOBVPL-UHFFFAOYSA-N 383.488 4.404 0 1 GIAF N#Cc1ccc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)cc1 219734023 DISKEWMLHADUHY-XMMPIXPASA-N 384.479 4.023 0 1 GIAF CCOC(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587079822 KVWCYTOWDRCOGH-HNNXBMFYSA-N 382.851 4.117 0 1 GIAF 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CCN1C(=O)C[C@@H](c2nc3ccc(Cl)nc3[nH]2)[C@@H]1c1ccccc1Cl 587061418 LNRJFCXNNDYCBA-BZNIZROVSA-N 375.259 4.342 0 1 GIAF O=S(=O)(c1ccc2nc(-c3coc4cc(F)ccc34)[nH]c2c1)C(F)(F)F 587173896 CNRQJNDQJVHJIP-UHFFFAOYSA-N 384.310 4.409 0 1 GIAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c(Br)c1 587379005 ZDJMHVDNPVQMGI-SFHVURJKSA-N 376.250 4.229 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1sc(N(C)C)nc1-c1ccccc1)[C@@H](C2)C3=O 587450797 KUTPRNBASNFIAL-YWZLYKJASA-N 392.480 4.373 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnn1C1CCCC1 587582752 QUGAHYCYLJKUFP-DENIHFKCSA-N 376.412 4.407 0 1 GIAF CCC[C@]1([C@H](C)C(=O)OCC)N[C@H](C)Cc2ccc(F)c(Br)c21 587795294 IJPMUWHRHACFGF-SEDUGSJDSA-N 386.305 4.317 0 1 GIAF CCC[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800761 YYSLEUSDBUGBQF-BVRBVLIYSA-N 386.305 4.317 0 1 GIAF COc1cccc2c1CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587804604 BIHVDVIYQDMDEH-WYRIXSBYSA-N 376.269 4.321 0 1 GIAF COc1ccc(/C=C/Cc2nc3ccc(Br)c(O)c3[nH]2)c(OC)c1 587929142 RPDQTUNADFGZEC-ONEGZZNKSA-N 389.249 4.304 0 1 GIAF COc1ccc2c(c1)[C@@H](c1c(N)oc3cc(C)c(C)cc3c1=O)N(C(C)C)CC2 962094581 WNLDHAJGDOGOBG-QFIPXVFZSA-N 392.499 4.357 0 1 GIAF CCC[C@H](O)[C@]1(CCC)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963178955 FKAGCQSYYWEKBN-HLLBOEOZSA-N 393.833 4.114 0 1 GIAF Cc1cnnn1CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@](C)(O)CC[C@@H]4[C@H]3CC[C@]12C 1772650403 FYKXKSHDWOPKIU-DZXZBOGNSA-N 399.579 4.175 0 1 GIAF Cc1ccc(-c2cn(-c3ccc4c(=O)n(-c5ccccc5)c(C)nc4c3)nn2)cc1 1857621390 JHOWFWQOHZETKD-UHFFFAOYSA-N 393.450 4.250 0 1 GIAF C[C@@H](C(=O)Nc1ccc2c(c1)COC2=O)c1cccc(C(=O)c2ccccc2)c1 1857760009 MWHVUODAEUJARX-OAHLLOKOSA-N 385.419 4.330 0 1 GIAF CC(=O)OC[C@]12CC[C@H](OC(C)=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@H]12 2356459600 SGEFHSHPYWPAKB-SZKCUPFNSA-N 390.520 4.073 0 1 GIAF C[C@@H]1C(=O)CC[C@]2(C)[C@@H](COc3ccc4ccc(=O)oc4c3)[C@H](C)C[C@H](O)[C@]12C 2356781341 BAEWDDGFBMCGCK-GZRDVYAUSA-N 398.499 4.200 0 1 GIAF CC=C(C)[C@H](O)[C@@H](C)C=C(C)C=CCC(C)=CCC(=O)N[C@H](C)CC(=O)O 2356792234 JMBXBCXKUSIETJ-JQVVWYNYSA-N 377.525 4.158 0 1 GIAF COc1cc([C@H]2c3cccc4cccc(c34)[C@@H]3CCC(=O)N32)cc(OC)c1O 1654637 JQULMCAJNKZANR-JTSKRJEESA-N 375.424 4.329 0 1 GIAF O=C1NC(=O)C(CSCC2CCCCC2)(CSCC2CCCCC2)N1 5840406 FUIUFQXRLLQBGS-UHFFFAOYSA-N 384.611 4.192 0 1 GIAF CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@@H]([C@@H](C(C)=O)C(=O)OC)O1 7992233 JDTQVVQXMHVUQK-RTWAWAEBSA-N 390.476 4.465 0 1 GIAF CN(CCOCCNC(=S)Nc1cccc2ccccc12)Cc1ccccc1 13742431 QWSNDOLNOYZUGA-UHFFFAOYSA-N 393.556 4.275 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1/C=C/c1ccccc1OC 17529806 YSSLOFDFZBTULG-BEBNQHKBSA-N 385.460 4.442 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 33902846 PXHCARRJGFGPAC-YCBRVCGJSA-N 390.564 4.398 0 1 GIAF biogenic N[C@@H](Cc1cc(Cl)c(Oc2ccc(O)c(Cl)c2)c(Cl)c1)C(=O)O 38388455 ARSDNROBWBKRSA-LBPRGKRZSA-N 376.623 4.099 0 1 GIAF O=C1Cc2ccccc2N1C/C=C/CN1CCN(c2cccc3ccccc23)CC1 40952097 GIFYHUSNALLKOZ-AATRIKPKSA-N 397.522 4.107 0 1 GIAF CC(C)CNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1 43069600 KGMWKNNGHUFCIH-UHFFFAOYSA-N 376.500 4.019 0 1 GIAF O=C(NCCc1cccc(F)c1)c1cnc(NCC2CC2)nc1-c1ccccc1 82133227 FPXNALDUEKCODE-UHFFFAOYSA-N 390.462 4.077 0 1 GIAF Cc1ccccc1CNc1ncnc2c1nc(C(C)C)n2CC[C@@H]1CCCN1C 82180455 MLJSPAXPTLBWIA-IBGZPJMESA-N 392.551 4.355 0 1 GIAF CC(C)(C)Cc1nc2c(NCc3ccc(F)cc3)ncnc2n1C[C@H]1CCCO1 82186084 YSRIULCEAYMIRK-QGZVFWFLSA-N 397.498 4.345 0 1 GIAF O=C(Nc1cc[nH]c(=O)c1)c1cc(C(F)(F)F)ccc1OCC1CCCC1 143214991 NUTCBCQHXFPEBM-UHFFFAOYSA-N 380.366 4.215 0 1 GIAF C[C@@H]1Cn2c(nnc2-c2ccccc2)CN1C(=O)c1cccc(Cl)c1Cl 473099763 HJXDJVUZQAGWAO-GFCCVEGCSA-N 387.270 4.296 0 1 GIAF FC(F)Oc1ccc(-c2nc3cc(I)ccc3[nH]2)cc1 587130045 CZJKLNUTZSJIID-UHFFFAOYSA-N 386.139 4.436 0 1 GIAF COC(=O)[C@@H]1CCC[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587346961 CXCZEXHMYCURHK-ZNRXUEPQSA-N 398.430 4.382 0 1 GIAF Cc1cc2c(cn1)[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349291 UHYTVRDSCMEXTB-FYYLOGMGSA-N 375.399 4.435 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)Nc4ccccc4)cc1)[C@@H](C2)C3=O 587426944 BJWUGQATIOMQRR-CVDCTZTESA-N 385.419 4.436 0 1 GIAF CCCc1c(O)ccc2c1O[C@](Cc1ccncn1)(c1ccc(F)cc1)CC2=O 587466688 MCRGXAQLYGSFAD-QHCPKHFHSA-N 392.430 4.377 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCCCN(C)C)c1)CC2=O 587469579 NUWUODMGXIXXAV-QFIPXVFZSA-N 383.488 4.382 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1nnn(-c3ccc(F)cc3)c1C)CC2=O 587472397 PQTXESXPMSQCIV-QFIPXVFZSA-N 395.434 4.254 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3C[C@H](C)O[C@H](C)C3)nc1)CC2=O 587480993 XHEHPOQTWMQXOK-ZSDSOXJFSA-N 396.487 4.060 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(OC[C@@H]3CO3)cc1)CC2=O 587482222 DBVWRYCFWHDQEN-HXOBKFHXSA-N 382.456 4.393 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccc(C(=O)O)cc1)(c1cc[nH]c1)CC2=O 587483699 NQWCPSHEQRYTIX-HSZRJFAPSA-N 391.423 4.280 0 1 GIAF COc1ncc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498522 OIOGCSMXVDGYDV-QGZVFWFLSA-N 388.261 4.438 0 1 GIAF CN(C)/C=C/[C@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587514926 XTBCFKCWNBSUSI-UWHSVAFCSA-N 391.467 4.230 0 1 GIAF C=CN1CCCC[C@H]([C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587515147 QMXKSTFYUMBHLB-GBXCKJPGSA-N 379.500 4.452 0 1 GIAF COC(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587559673 YUJKACAQPWDJEX-NQIIRXRSSA-N 394.354 4.021 0 1 GIAF CN(C)Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587571459 LEDAGPYIQSICEF-NFBKMPQASA-N 375.424 4.157 0 1 GIAF O=C(c1cccc(F)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656381 YPQIKBIXEPTCLH-UHFFFAOYSA-N 380.325 4.169 0 1 GIAF C[C@H](O)[C@]1(c2cccc(Cl)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587704459 UMZXXVMCICWCPR-LIBAHTEVSA-N 398.703 4.400 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc3c2OCOC3)N1 587734056 QDDACIZYRJSMNQ-XLFHBGCDSA-N 396.231 4.217 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCCC3)s2)N1 587852121 DHUTYLPASKNCNA-QFYYESIMSA-N 396.329 4.269 0 1 GIAF Cn1nc(C(F)(F)F)c(Cl)c1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873429 BHSUDBSFYYGOEI-UHFFFAOYSA-N 386.692 3.889 0 1 GIAF O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)n1cnc2ccccc21 621431797 MSCCMRFSWLIHAT-UHFFFAOYSA-N 389.365 4.372 0 1 GIAF COc1ccc(Cn2cccc2[C@H]2NCCc3c(OC)ccc(Cl)c32)cc1 963260518 XOZNRRMBBDKZJJ-JOCHJYFZSA-N 382.891 4.442 0 1 GIAF OCC1(CCc2ccccc2)CCN(Cc2cnn(-c3ccc(F)cc3)c2)CC1 13596830 GYRWGFWTYHPQHU-UHFFFAOYSA-N 393.506 4.219 0 3 GIAF CCc1nc2c(OCCOc3ccc(F)cc3)cccn2c1N(C)C(=O)C(C)C 61907048 VQEGMSFTZQXRMT-UHFFFAOYSA-N 399.466 4.112 0 3 GIAF COc1ccccc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc(Br)cc12 2468504 HCBWVYGKMXDQQT-FZKQIMNGSA-N 389.249 4.227 0 1 GIAF O=C(CCCN1CCC(CO)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 13558990 RYVUGCZHTZPICS-UHFFFAOYSA-N 389.898 4.468 0 1 GIAF COc1cc2c([C@@H]3CCCN3C)cnc(Cc3ccc4c(c3)OCO4)c2cc1O 14855809 QTNXTKJLLAKSHD-IBGZPJMESA-N 392.455 4.035 0 1 GIAF biogenic CO[C@H](C)C(=O)N(c1ccccc1)[C@H]1CCN(CCc2cccs2)C[C@@H]1C 26728611 LZKVXBQOOPUNCP-UEXGIBASSA-N 386.561 4.069 0 1 GIAF CO[C@H](C)C(=O)N(c1ccccc1)[C@@H]1CCN(CCc2ccccc2)C[C@@H]1C 26735659 ZKHJYMVGYOEDCF-MIZPHKNDSA-N 380.532 4.008 0 1 GIAF Cc1cccc(C)c1Nc1ncc(-c2ccc(C(=O)N(C)C)cc2)n2cncc12 28641379 FXJRVQWKPAGAQH-UHFFFAOYSA-N 385.471 4.459 0 1 GIAF CCOC(=O)N1c2ccccc2N([C@@H](Cc2ccccc2)C(=O)OC)C[C@@H]1CC 28886501 FLCQLSGXRGOKDJ-RXVVDRJESA-N 396.487 4.032 0 1 GIAF COc1cccc(CNc2cncc(Oc3cccc4cccnc34)n2)c1OC 82068667 XNAPPDLGFTUITP-UHFFFAOYSA-N 388.427 4.446 0 1 GIAF Clc1ccccc1Nc1nc(Nc2ccc(-c3nnn[nH]3)cc2)ncc1Cl 87613232 YQQWGLNBSUZDRG-UHFFFAOYSA-N 399.245 4.451 0 1 GIAF O=P(O)(O)CCCNCc1ccc(-c2ccccc2)c(-c2ccccc2)n1 96174493 PKIXUSGPPGWLFE-UHFFFAOYSA-N 382.400 4.073 0 1 GIAF COc1cc2[nH]cc(C(=O)CN3CCC(Cc4ccccc4)CC3)c2cc1OC 103228839 LUELJKWLOZLZFC-UHFFFAOYSA-N 392.499 4.323 0 1 GIAF COc1cc(-c2cc3c(Nc4cccc(O)c4)ncnc3cc2OC)ccc1O 143044958 RQPRRMWEMYPJCU-UHFFFAOYSA-N 389.411 4.469 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc2c(ccn2C)c1 167581597 DCXJWQSSOWSEHV-HNAYVOBHSA-N 378.472 4.305 0 1 GIAF O=C(O)CCCOc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cn2)cc1 218542448 NSMXSHORZQEJIG-UHFFFAOYSA-N 391.349 4.401 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@]32O)C1 255280922 XMMWYJKJRBYBKW-DVJZPTKSSA-N 376.537 4.281 0 1 GIAF O[C@@H](CCCN1C=C[C@](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 299853528 MFRRKLRVXZYOMO-LEWJYISDSA-N 375.871 4.400 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(O)cc3[nH]2)cc1 586948105 DRIBPEIQQSHPQV-UHFFFAOYSA-N 379.441 4.045 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc(-c4cnc([C@@H](C)O)s4)[nH]c3c2)cc1 587021455 IMKBOYKBADNKBX-LLVKDONJSA-N 395.440 4.319 0 1 GIAF N=c1[nH]ccc2nc(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)[nH]c12 587068199 LHJVSVFIFZEDGP-UHFFFAOYSA-N 376.807 4.137 0 1 GIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(Br)c(O)c2[nH]1 587116504 ZTVJRULCJYMHIR-UHFFFAOYSA-N 395.566 4.104 0 1 GIAF FC(F)(F)c1nc2ccc(-c3nc4cncc(Br)c4[nH]3)cc2[nH]1 587120677 SHGJKHGJZFZZAH-UHFFFAOYSA-N 382.143 4.283 0 1 GIAF Cc1ccnc2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc12 587230342 FAAILTVSULONDU-UHFFFAOYSA-N 387.443 4.156 0 1 GIAF CC1(C)[C@H]2C[C@H]1[C@@](C)(O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346811 AJVUKXMVTFSSAH-FNAVLUNUSA-N 396.458 4.446 0 1 GIAF C[C@H](Oc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587525230 UCNSEDOOEFSQRN-LFVRLGFBSA-N 380.440 4.298 0 1 GIAF COc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587585769 GASKTOFRGINXMG-DENIHFKCSA-N 377.396 4.116 0 1 GIAF CCOc1ccc(-c2nn(-c3cccnc3)c(=O)c3ccccc23)cc1OCC 587670360 VQANIOGBVLYSGD-UHFFFAOYSA-N 387.439 4.245 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc(N)ccc32)N1 587744229 GKIKOBPZMPUZFE-WLRWDXFRSA-N 375.285 4.285 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2C(=O)O)N1 587826382 KRTJHNBSDDIRKZ-XTZNXHDOSA-N 378.241 4.084 0 1 GIAF COc1ccc2c(c1OC)[C@@](CC(=O)C(F)(F)F)(CC(C)C)N(C)[C@@H](C)C2 962558129 AUTHNQXVLOCDCP-DJJJIMSYSA-N 387.442 4.343 0 1 GIAF O=C(O)CCCCC[C@]1(c2ccc(F)c(F)c2)NCCc2nc3ccccn3c21 962985665 QPINHQYELLUMHE-JOCHJYFZSA-N 399.441 4.037 0 1 GIAF Cc1cc2cc([C@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c(Cl)nc2cc1C 963525251 LYEXVKWXBZICRP-FXAWDEMLSA-N 396.874 4.207 0 1 GIAF COc1ccc(-c2c3c(nn2C)CCc2c-3cc(OC)c(OC)c2OC)cc1F 1857548621 AWGCRJTVDBITHO-UHFFFAOYSA-N 398.434 4.026 0 1 GIAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@]1(C)C3=C(CC[C@@H]12)[C@H]1C[C@@H](C(=O)O)[C@H]3O1 2356796139 MWDJGWPPQHFEID-NHZJCBRWSA-N 388.504 4.262 0 1 GIAF COc1ccc([C@@H]2O[C@@H](CCc3ccccc3)Cc3[nH]c(=S)[nH]c(=O)c32)cc1 95567222 SCDSIMDTQVLGOA-PXNSSMCTSA-N 394.496 4.105 0 3 GIAF C[S@@](=O)c1cccc(-n2cnc(-c3ccc(F)cc3)c2-c2ccncc2)c1 4617921 IAROMOZGTJIMAY-MHZLTWQESA-N 377.444 4.478 0 1 GIAF COc1ccc2nc3oc(C(=O)N4CCC(N5CCCCC5)CC4)cc3cc2c1 4907690 IIRLQWHHPVYOJK-UHFFFAOYSA-N 393.487 4.080 0 1 GIAF O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(c2cnnc3c(Cl)cccc23)C1 6724959 FNHIUXQRARZAGP-CYBMUJFWSA-N 384.842 4.277 0 1 GIAF CCCCNc1nc(C)nc2c1nc(-c1ccccc1)n2CCN1CCCCC1 7991817 PWRKPPAWBGSUFE-UHFFFAOYSA-N 392.551 4.500 0 1 GIAF COc1ccc2c(c1OC)CCC[C@H]2CN(C)CCc1ccc2c(c1)OCO2 13761399 UNLGAQBCYRTYGI-KRWDZBQOSA-N 383.488 4.027 0 1 GIAF Cc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccc(S(C)(=O)=O)cc2)cc1 27083129 BYJHQZZAWKCADJ-UHFFFAOYSA-N 380.391 4.474 0 1 GIAF CCCOC(=O)c1ccc(F)cc1NC(=O)c1ccccc1Br 40879973 ZEFVQXBQYZSCOG-UHFFFAOYSA-N 380.213 4.407 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](Cc1ccc(CN3CCCCC3)cc1)C2 40897927 ZEOMTRPLFHQJKZ-HXUWFJFHSA-N 379.500 4.287 0 1 GIAF CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1CC2 95595006 GUQILYLPTDMXJU-UHFFFAOYSA-N 392.405 4.398 0 1 GIAF CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1O)C(=O)Nc1cccc(Cl)c1 96932413 IYCDUYRXILCPOP-MRXNPFEDSA-N 381.259 4.092 0 1 GIAF Oc1cccc(-c2c(-c3ccncc3)nn3c(C4C[C@@H]5CC[C@@H](C4)N5)ccnc23)c1 100095816 XDBBGTIPWPBPQD-OALUTQOASA-N 397.482 4.162 0 1 GIAF CCN1CCN(C(=O)c2cn(CC3CCCCC3)c3cc(OC)ccc23)CC1 147792539 SJKXWRLGCZSMSX-UHFFFAOYSA-N 383.536 4.008 0 1 GIAF O=C(/C=C/c1cccc2c3c([nH]c12)-c1cccnc1NC(=O)C3)Nc1ccccc1 169349957 XACYBDLLGKIZLC-VAWYXSNFSA-N 394.434 4.376 0 1 GIAF Cc1cc2c(N[C@H]3CCCNC3)c(-c3nc4ccccc4[nH]3)c(O)nc2s1 299823040 CQYZLNWHKUTSMQ-LBPRGKRZSA-N 379.489 4.018 0 1 GIAF Fc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587000685 JPTNDOAKJBWBFO-RJRFIUFISA-N 375.197 4.406 0 1 GIAF C[C@]1(c2nc3ccc(F)c(Br)c3[nH]2)C=C(c2ccccc2F)NO1 587158284 WCEXTKFLWXEUEW-QGZVFWFLSA-N 392.203 4.395 0 1 GIAF Cc1cc(Br)cc2nc(CCC(=O)Nc3cccc(F)c3)[nH]c12 587163590 SFMFCHQKHMESTM-UHFFFAOYSA-N 376.229 4.344 0 1 GIAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587167486 OERWNARIHOBHDV-ZDUSSCGKSA-N 378.329 4.488 0 1 GIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(Br)c(F)c2[nH]1 587175536 UFSDYXUPDKPVJZ-GFCCVEGCSA-N 391.219 4.327 0 1 GIAF CCOC(=O)c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232226 PDPIQDXKTTXXPJ-UHFFFAOYSA-N 375.428 4.289 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3ccc(C(C)(C)C)nc3[nH]2)CCC(=O)CC1 587233869 FNTIEGHVSCGGSK-UHFFFAOYSA-N 386.496 4.119 0 1 GIAF Nc1ccc(C(=O)CCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 587251716 LZRKBKPKKMNSBY-UHFFFAOYSA-N 378.657 4.377 0 1 GIAF Cc1cnc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 587339945 REPJCDHYBGYOQF-SIKLNZKXSA-N 378.403 4.212 0 1 GIAF COC(=O)C[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353688 RUUFROZCDQNLNY-UGKGYDQZSA-N 386.419 4.238 0 1 GIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC(=O)C[C@H]3C(=O)O)c1 587364955 BEVGVWJZDOUNRR-MRXNPFEDSA-N 387.391 4.340 0 1 GIAF COc1c(Br)ccc(F)c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587382047 NNRBMFCMBWLYER-CQSZACIVSA-N 380.213 4.194 0 1 GIAF CCOC(=O)CCC[C@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587384747 OGZYZOCIZALBCS-JOCHJYFZSA-N 385.435 4.310 0 1 GIAF COc1ccc([C@]2(CCCCCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403834 RVLJFFKAQDSGIY-QHCPKHFHSA-N 397.471 4.482 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccncc1)(c1cc(F)ccc1F)[C@@H](C2)C3=O 587424594 POZVLXJZPKTWEU-JTSKRJEESA-N 379.362 4.060 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c[nH]c(C(=O)O)c1)CC2=O 587487957 ZJBXBUDDGWKOFW-QHCPKHFHSA-N 391.423 4.280 0 1 GIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)cn1 587501020 ZNNNMOCJMCSQCW-QGZVFWFLSA-N 388.261 4.438 0 1 GIAF CN1CCN(c2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2F)CC1 587502440 DMGOJTSEAQXCNL-QHCPKHFHSA-N 394.490 4.163 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(-c2ccco2)nc1 587589892 YMMGLDCXJATBSU-NQIIRXRSSA-N 386.363 4.145 0 1 GIAF CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604463 UEXJVWZAIYVCMZ-RPXGDSRNSA-N 396.439 4.250 0 1 GIAF Cc1nc(O)c(Cl)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587694370 HKFMAWAZZIWSRW-CQLKUDPESA-N 399.691 4.448 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccc(C(F)(F)F)n2)N1 587715067 RGLXXHJWTISALT-WPPNPWJKSA-N 390.178 4.021 0 1 GIAF CC[C@]1(c2c(C)nn(C)c2C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587757094 MTVCZBPUORYYBD-XTZNXHDOSA-N 380.305 4.126 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@]1(C)CC[C@@H]2C1(C)C 587816966 GMEIZAJQKRURFS-ZCMOCRIJSA-N 380.301 4.343 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Cl)cn1C 587861658 WLNUDPQTYAQVBB-UHFFFAOYSA-N 383.757 4.258 0 1 GIAF COc1ccc([C@H](O)[C@H](C)c2nc3c(Cl)c(Br)cnc3[nH]2)cc1 587934367 CUDNCSQBFUYLRB-RMLUDKJBSA-N 396.672 4.220 0 1 GIAF COC(=O)C(C)(C)[C@H]1c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961782363 XYGYHQZYCFCCGK-GOSISDBHSA-N 388.508 4.078 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2[nH]c3ccccc3c2Cl)N1 963239624 XRDGNJYRPRISGP-HKUYNNGSSA-N 377.831 4.058 0 1 GIAF COc1ccc([C@@]2(c3ncco3)c3cccc(Br)c3CCN2C)cc1 963290392 VFPQEXFBMOMVJK-FQEVSTJZSA-N 399.288 4.226 0 1 GIAF CCCN(CCCCOc1ccc2ccnn2c1)[C@@H]1CCc2c(O)cccc2C1 1772623985 JQXMVFBXXAKVDC-OAQYLSRUSA-N 393.531 4.468 0 1 GIAF CC=C(C)[C@H](O)[C@H](C)C=C(C)C=CCC(C)=CCC(=O)N[C@H](C)CC(=O)O 2356792235 JMBXBCXKUSIETJ-KNKQGSTJSA-N 377.525 4.158 0 1 GIAF CN[C@H](Cc1ccccc1)[C@H]1c2[nH]c3ccc(Br)cc3c2CCN1C 2356797900 OPHNYAFRPVFBDE-CTNGQTDRSA-N 398.348 4.290 0 1 GIAF CCOc1nc2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc2o1 3633644 UEXLGPPESLMWLZ-UHFFFAOYSA-N 382.464 4.010 0 1 GIAF C[C@H](C(=O)N1CCCC1)[C@H]1Sc2ccccc2N(Cc2ccc(F)cc2)C1=O 5022113 FRXXJSPXTMSWBI-MGPUTAFESA-N 398.503 4.092 0 1 GIAF COc1ccccc1-c1nnc(C2CCN(C(=O)c3cccc(C)c3)CC2)o1 6737467 AJNJZIKTWGBWRO-UHFFFAOYSA-N 377.444 4.073 0 1 GIAF CC1=C(Br)C[C@@]23[C@H](C1)O[C@@](Br)(C=C[C@@]2(C)O)C3(C)C 14966320 CPFUVETXJNUCPL-ATGSNQNLSA-N 392.131 4.273 0 1 GIAF biogenic O=C1Cc2c(OCCNCc3cccc(-c4ccccc4)c3)ccc(F)c2N1 26163524 SUNPULXJCJNRPQ-UHFFFAOYSA-N 376.431 4.156 0 1 GIAF O=C(O)/C(=C/c1cccc(-c2ccccc2Cl)n1)NC(=O)c1ccccc1 28520892 BCAQVLVQQUXMFV-UYRXBGFRSA-N 378.815 4.258 0 1 GIAF O=C(OCCCF)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1cccc(/C=C\Br)c1)N2 40393555 VKZWZSZGPDLBNV-MXMDQLDISA-N 396.300 4.179 0 1 GIAF Nc1ncnc2c1N=C(c1ccc3c(c1)OCO3)C[C@H](c1ccc(Cl)cc1)N2 40421558 RPLUJBSVCSJQCG-CQSZACIVSA-N 393.834 4.119 0 1 GIAF COc1ccc(-c2nc(-c3ccc(I)cc3)no2)cc1 40836591 DZTZRXWOWYIREQ-UHFFFAOYSA-N 378.169 4.017 0 1 GIAF C[C@H]1CCCCN1CCc1cccc2[nH]cc(S(=O)(=O)c3ccccc3)c12 45389111 BOQKMDDOTKOYRK-KRWDZBQOSA-N 382.529 4.418 0 1 GIAF in-vitro Cn1c2c(c3cc(S(=O)(=O)c4ccccc4Cl)ccc31)[C@H]1CC[C@@H](C2)N1 73198010 DCRNVIQIHXGGBH-BLLLJJGKSA-N 386.904 4.014 0 1 GIAF CC(C)Oc1nc(-c2cccnc2)nc2c1CN(c1nc3ccccc3o1)CC2 96168392 UVKZTSCLRRQDOE-UHFFFAOYSA-N 387.443 4.030 0 1 GIAF CC[C@@H](Cc1ccc(O)c(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C 103251310 JQDUVTPGLRBCNA-IBGZPJMESA-N 375.534 4.234 0 1 GIAF COc1cc(O)c2c(=O)c(OCC=C(C)C)c(-c3ccc4c(c3)OCO4)oc2c1 143800961 UHNYTSPQPMLVBY-UHFFFAOYSA-N 396.395 4.248 0 1 GIAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(F)cc1Cl 169723996 JDESMLBZOPKIKC-RDJZCZTQSA-N 395.858 4.442 0 1 GIAF O=C(OC/C=C/c1ccccc1)C1=CN=C[C@H](C(=O)O)[C@@H]1c1cccc(Cl)c1 169727731 AETTUACTWPQAGI-OUXAZZEQSA-N 395.842 4.349 0 1 GIAF Nc1nnc(-c2ccc3[nH]cc(-c4cncc(OC5CCCC5)n4)c3c2)s1 204763404 WTJOTLCUSWSEMH-UHFFFAOYSA-N 378.461 4.047 0 1 GIAF O=c1c2cn[nH]c2c2ccc(-c3ccnc(Cl)c3)cc2n1CC(F)(F)F 205019433 ZPAXANAHASJJTJ-UHFFFAOYSA-N 378.741 4.156 0 1 GIAF CC(=O)OC/C=C(\CO)CC[C@@]1(C)[C@H](C(=O)O)CC[C@@]2(C)C(C)=CCC[C@@H]21 238778232 MCVZTTJDKABTGZ-JZDPNJMJSA-N 378.509 4.112 0 1 GIAF CCCCc1cc(=O)oc2cc(OCc3nc4cc5c(cc4[nH]3)OCO5)ccc12 586918803 PMFYXWGZTRFBEL-UHFFFAOYSA-N 392.411 4.320 0 1 GIAF CCOC(=O)C(F)(F)[C@@H]1Cc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587103691 JPHDSVKWLNEUOP-LBPRGKRZSA-N 393.389 4.359 0 1 GIAF CCC1=C(C)N[C@@H]2c3nc4cccc5c4c(c3CCN2C1=O)-c1ccccc1C5=O 587107360 RFMAOFAEHUTZNC-DEOSSOPVSA-N 395.462 4.117 0 1 GIAF COc1cccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c12 587153809 DTMVMEHJHQPTCZ-UHFFFAOYSA-N 391.402 4.395 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587189328 BJYXSQSCXKKZSZ-QGZVFWFLSA-N 399.422 4.357 0 1 GIAF Brc1cnc(Br)c(-c2cc3c4c(cccc4n2)CC3)n1 587209261 MDKOKDAZRBHOCE-UHFFFAOYSA-N 391.066 4.315 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc3c(Br)cc(C)cn13)O2 587373017 OWJBOGASRSAWQU-INIZCTEOSA-N 386.249 4.002 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1c(F)cc(F)cc1F)O2 587382442 RJOYUXORVVROEN-NRFANRHFSA-N 384.357 4.299 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H](NC(=O)OCc3ccccc3)C1)O2 587388315 AEJSUXYVMKHLBV-GAJHUEQPSA-N 394.471 4.150 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc3c(c1)CCCC3)O2 587408611 QTGKYILMHWTKRM-HSZRJFAPSA-N 379.456 4.182 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCCN(C(=O)OC(C)(C)C)[C@H]1C)CC2=O 587477401 XTZQWELGJTTYTA-RCDICMHDSA-N 389.492 4.468 0 1 GIAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O[C@@H](C)C(=O)O 587522201 KIXHNCPSGVUQSI-RNODOKPDSA-N 396.439 4.132 0 1 GIAF CCOC(=O)COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526735 ZPEDZWNAVXOKOB-DEOSSOPVSA-N 394.467 4.388 0 1 GIAF C[C@@]1(c2ccc(C(=O)O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557877 POMQXOYUMXRMKT-GCJKJVERSA-N 394.354 4.107 0 1 GIAF COc1ccc2c(c1)C[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601061 QGLPERNCSZMQRY-ZJSXRUAMSA-N 388.419 4.290 0 1 GIAF Cc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)OCO2 587612138 UNFSKTHQJNBSON-DENIHFKCSA-N 376.364 4.132 0 1 GIAF Cc1c(-c2ccc(Br)cc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587649859 LZEJPWXCVHGUTF-UHFFFAOYSA-N 382.254 4.448 0 1 GIAF CO/C(C)=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587707321 TXXMAEVXFZONDO-LEJLCQMHSA-N 382.195 4.430 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(C(=O)c2ccc(F)cc2)N1 587727645 BYRKANWQAMLZIC-XTZNXHDOSA-N 380.232 4.360 0 1 GIAF CC(=O)C[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587733671 RRCZLGNCMUDLNO-NSPYISDASA-N 394.259 4.484 0 1 GIAF CCC[C@]1([C@@H](CC)C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587803403 AHSNIZXRGWONAH-SUFBMKPHSA-N 386.305 4.317 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccncc1 587864456 KBEWSCQNVXNNEN-UHFFFAOYSA-N 375.350 4.246 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(Br)nc1Cl 587869946 VQAQJAWQWKCAJC-UHFFFAOYSA-N 397.635 4.283 0 1 GIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccnc(Br)c2[nH]1 587927750 UCFMQAQEISAFCS-NSHDSACASA-N 376.254 4.280 0 1 GIAF COc1cccc(-c2cc(O)cc(-c3nc4nc(Br)c[nH]c-4n3)c2)c1 587932543 FWNQNKYJJCPESP-UHFFFAOYSA-N 397.232 4.115 0 1 GIAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(F)c(Br)c3[nH]2)cc1 587936437 LHCDYBZKDWQXDL-FVMDXXJSSA-N 379.229 4.310 0 1 GIAF CCOC(=O)c1cc(C)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1C 587938980 GACWJIHXLZZRNE-SFHVURJKSA-N 393.325 4.347 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(c1cc(C(C)=O)cc(C(C)=O)c1)N(C)[C@H](C)C2 962568401 FPNQRMPLYSMWAL-SHACYNPGSA-N 395.499 4.249 0 1 GIAF COc1ccc2c(c1OC)[C@H](c1nc(C)c(Br)s1)N(C)[C@H](C)C2 962573409 RSWXFTOPTWFVRJ-YMTOWFKASA-N 397.338 4.197 0 1 GIAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1cc2c(s1)CCOC2 962701537 LHHIECLOBFVMSV-VLIAUNLRSA-N 375.534 4.413 0 1 GIAF Cc1cc2cc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4)c3)cnc2[nH]1 1857754480 ZNUXYEANABFFJO-UHFFFAOYSA-N 398.875 4.388 0 1 GIAF CCCCCc1ccc(-c2cc3cn([C@@H]4CC[C@H](CO)O4)c(=O)nc3o2)cc1 3591634 AXVQOAZFNZYHNN-QUCCMNQESA-N 382.460 4.059 0 1 GIAF CCCc1c(CSCc2ccc(-c3nnn[nH]3)cc2)ccc(C(C)=O)c1O 28006650 UIEQEUSTJLJAMM-UHFFFAOYSA-N 382.489 4.161 0 1 GIAF CNC(=O)CSCC1=CC(C)(C)Nc2ccc(-c3ccccc3OC)cc21 28570964 SCWIKFNMEGPEFY-UHFFFAOYSA-N 382.529 4.429 0 1 GIAF Cc1noc(-c2cn3ncnc(Nc4cnc5[nH]c(C)cc5c4)c3c2C(C)C)n1 29047708 DCORLGVOPVBDRF-UHFFFAOYSA-N 388.435 4.139 0 1 GIAF O[C@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc(F)cc1 36271527 FLDLQCILZSMNPF-SGNDLWITSA-N 391.486 4.266 0 1 GIAF O=C([C@@H](F)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCC1 66112037 JDFFPGMJOIDJDF-KRWDZBQOSA-N 395.400 4.403 0 1 GIAF Oc1cccc(Nc2nc3ccccc3n2-c2ncnc(Nc3ccccc3)n2)c1 71296563 OXWDPINHMMOYAP-UHFFFAOYSA-N 395.426 4.403 0 1 GIAF Cc1cnc(N2C[C@H](C)O[C@H](C)C2)nc1NCc1cccc(C(F)(F)F)c1 82204216 DYCCTOAZJOCMNS-OKILXGFUSA-N 380.414 4.030 0 1 GIAF Cc1ccc([C@H](C)N2CC[C@](CCC(N)=O)(c3ccc(F)cc3)OC2=O)cc1 114922707 HFORRWJJJMFERI-KSFYIVLOSA-N 384.451 4.198 0 1 GIAF Cc1cccc(C(=O)N[C@]23CCC[C@@](NC(=O)c4cccc(Cl)c4)(CC2)C3)n1 169710846 IJPARVQEYUOEFX-FGZHOGPDSA-N 397.906 4.049 0 1 GIAF O=C(CNCC1(O)CCCCCC1)N1CCc2ccccc2[C@H]1C1CCCCC1 201387290 DORAMNHWIAOYOT-XMMPIXPASA-N 398.591 4.368 0 1 GIAF CCCCS(=O)(=O)N[C@H](c1nc2cc(Cl)cc(Cl)c2[nH]1)C(C)C 586933272 OPZJFSKBHZMZQL-ZDUSSCGKSA-N 378.325 4.286 0 1 GIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 586947724 CDOWBGAYJZZZKJ-UHFFFAOYSA-N 394.294 4.143 0 1 GIAF CC(=O)c1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587002717 YQMSZTLTCCJDNI-GORDUTHDSA-N 399.244 4.470 0 1 GIAF COc1nccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027859 TUOLUCBIEPZLRW-OIISXLGYSA-N 396.516 4.103 0 1 GIAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c21 587031132 OSXGOUIETPAKKB-SECBINFHSA-N 384.896 4.329 0 1 GIAF Cc1ccc(-c2cc(-c3nc4cnnc(O)c4[nH]3)c3cccc(Cl)c3n2)o1 587083524 YJKPNOXOUPOTDF-UHFFFAOYSA-N 377.791 4.496 0 1 GIAF O=C(O)CCN(CCc1nc2cc(Cl)cc(Cl)c2[nH]1)Cc1ccccc1 587193191 DQFQGPQTVCXUEM-UHFFFAOYSA-N 392.286 4.389 0 1 GIAF Cc1nc2nc(O)nc(O)c2cc1Cc1c(C)nc2c(C)cccc2c1Cl 587369032 RNBZXFSLWPXCHQ-UHFFFAOYSA-N 380.835 4.154 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(C(F)(F)F)cc3)c1)O2 587382789 OBQILENMHNVPQU-SFHVURJKSA-N 387.361 4.488 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)(c1c(N)sc3c1CCC3)O2 587415577 UWOUNZMORGGBHY-QFIPXVFZSA-N 391.496 4.014 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(Br)[nH]c4ccccc14)[C@@H](C2)C3=O 587417686 OJHRQQWXDZLQMC-KPZWWZAWSA-N 384.229 4.428 0 1 GIAF COc1cc2c3c(c1)O[C@@H](CCc1cc(F)ccc1Br)[C@@H](C2)C3=O 587426785 PSVHYIAAUXWBAS-ZBFHGGJFSA-N 391.236 4.346 0 1 GIAF CCOC(=O)[C@@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501876 GGWJQKPRQYJGFF-QFIPXVFZSA-N 386.394 4.267 0 1 GIAF C[C@@H]1CN(C(=O)OC(C)(C)C)C(=O)C[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517408 MTAIBCVIFRWTNW-FATZIPQQSA-N 399.487 4.073 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Br)c[nH]1 587549862 YQJUBETTWKWLBI-QAPCUYQASA-N 386.201 4.186 0 1 GIAF O=C(CNc1ccccc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658331 LRWOEAWIDKULIC-UHFFFAOYSA-N 391.377 4.094 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2[nH]ccc2Br)N1 587680739 QAZKHSZZLFWLGR-WJWGPLDTSA-N 388.078 4.302 0 1 GIAF CCO/C=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587707291 STIQFYOQHYVDPW-ZTRNXTCWSA-N 382.195 4.430 0 1 GIAF CCc1nn(C)c(CC)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587753584 BFUGSHPGRLZMMD-MGNBDDOMSA-N 380.305 4.070 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccccn2)N1 587773274 QAKRKVUIDPJOIH-BBATYDOGSA-N 377.257 4.006 0 1 GIAF COc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1O 587804936 DMSBDILUGGSTJJ-MGNBDDOMSA-N 380.257 4.100 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587837045 YZCRKWUCANLLHN-JEOXALJRSA-N 392.268 4.157 0 1 GIAF COc1ccc(-n2ncc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)c2C)cc1 963093674 ANWMQQRIOBVJBS-CVDCTZTESA-N 377.463 4.438 0 1 GIAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c(C)n(C)n(-c2ccccc2)c1=O 963243580 SRMMNBWLUSWGOG-UZUQRXQVSA-N 375.516 4.230 0 1 GIAF COc1cc2ncc(-c3ccccc3Cl)n2cc1S(=O)(=O)C(C)(C)C 1857746233 ZKYJBGSQUZYMLI-UHFFFAOYSA-N 378.881 4.236 0 1 GIAF CC(C)=CCc1c2c(c(O)c3ccoc13)C(=O)[C@@H](c1ccc(O)cc1O)CO2 2356670882 GLCHYCYVVIZFRU-MRXNPFEDSA-N 380.396 4.417 0 1 GIAF O=C(c1ccc(OC2CCN(C/C=C/c3ccccc3)CC2)cc1)N1CCCC1 12315415 QQIKROPDRGXMEH-RMKNXTFCSA-N 390.527 4.479 0 3 GIAF Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@@H](C2)N3C(=O)NC2CCCCC2)cc1 1377963 BBPMKPPMMBFWTQ-SFTDATJTSA-N 383.536 4.153 0 1 GIAF O=C(O)/C(=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)c1ccncc1 13609273 HVVBFDYTDLMWQD-JXMROGBWSA-N 377.183 4.193 0 1 GIAF CCCC(CCC)N1CCn2c(=O)n(-c3ccc(OC)cc3)c3nc(C)cc1c32 13652921 SGVFYKDWYYUFDD-UHFFFAOYSA-N 394.519 4.293 0 1 GIAF O=C(O)c1ccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1 13704345 KEIDNLMMSFKEKK-UHFFFAOYSA-N 383.407 4.490 0 1 GIAF C[C@@]1(O)C[C@H](O)O[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1 13730553 RCIAURCVMTWVOB-HMFYCAOWSA-N 396.512 4.084 0 1 GIAF CC1=C(Br)C[C@@]23[C@@H](C1)O[C@@](Br)(C=C[C@@]2(C)O)C3(C)C 14966317 CPFUVETXJNUCPL-RZFFKMDDSA-N 392.131 4.273 0 1 GIAF biogenic O=C(Nc1ccccc1)Nc1ccc2c(C(=O)c3ccccc3)c(O)n(O)c2c1 18192135 NCXUMVDNZWMXMO-UHFFFAOYSA-N 387.395 4.459 0 1 GIAF CC(C)c1ccc2c(c1)[C@H](N1CCN(CCO)CC1)C[C@@H]2c1ccc(F)cc1 22937887 LUZRJLPCCNZOME-ISKFKSNPSA-N 382.523 4.136 0 1 GIAF O=C(NC(=S)N1CCc2cc(OCc3ccccc3)ccc21)c1ccccc1 43019130 OATQFZRDQYYYIZ-UHFFFAOYSA-N 388.492 4.343 0 1 GIAF CC(C)(C)c1ccc(CNC(=O)c2ccc(CNC3CCC(N)CC3)s2)cc1 45191259 GQEAZJHPTKSOCK-UHFFFAOYSA-N 399.604 4.335 0 1 GIAF Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)OC2=S)cc1 84619665 QZDVKXQCTOUPLV-DHDCSXOGSA-N 390.258 4.152 0 1 GIAF Cc1cc(N2C[C@@H]3C[C@@H]4CCCN4[C@@H]3C2)ccc1NC(=O)c1cc(F)ccc1C 96922472 OZIJFYRIQYIVKS-KPDCDPCYSA-N 393.506 4.368 0 1 GIAF Cn1cc(-c2ccc3c(c2)[C@H]2CCCN(C(=O)c4ccc5c(c4)N=CC5)[C@H]2C3)cn1 100621283 IUFYJVOXMUEOFL-QPPBQGQZSA-N 396.494 4.290 0 1 GIAF COc1cccc(-c2cccc(C(=O)N[C@@H](CC(=O)O)c3ccccc3C)n2)c1 223463339 BZQFHFXGWNUKMU-NRFANRHFSA-N 390.439 4.011 0 1 GIAF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cnccc3[nH]2)c1C=O 586967851 GCKDQJJPVCSKKJ-UHFFFAOYSA-N 397.891 4.269 0 1 GIAF Fc1c(F)c(F)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1F 587006040 AQQLZWBCMWJTSR-UHFFFAOYSA-N 385.118 4.197 0 1 GIAF Fc1cc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2cc1-n1cccn1 587075520 DMFANXYBDDKXPC-SFHVURJKSA-N 381.798 4.158 0 1 GIAF Fc1cncc(Cl)c1Cc1nc2c(Cl)c(Br)cnc2[nH]1 587175234 ABSSZUSYCHXREP-UHFFFAOYSA-N 376.016 4.152 0 1 GIAF COc1cc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2cc1C 587243993 FTOKUEBLPLHIMC-UHFFFAOYSA-N 376.416 4.019 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(OC)c(OC)cc4ccccc14)[C@@H](C2)C3=O 587444518 TYKAZMSBCODMGL-KSFYIVLOSA-N 376.408 4.354 0 1 GIAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc(CC(C)C)cc1)[C@@H](C2)C3=O 587447431 RWWIBJZNSJLVEY-YADARESESA-N 394.467 4.401 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C(=O)OC)c3ccccc31)CC2=O 587476389 CFILAZJLTRHURI-CMJOXMDJSA-N 380.440 4.256 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCCn3c(O)nc4cccc1c43)CC2=O 587490130 OTTQETIVPSYESA-JOCHJYFZSA-N 378.428 4.055 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12COc1ccc(Cl)cc1C2 587551576 HEPHZLQWQIFNCR-UGKGYDQZSA-N 394.810 4.381 0 1 GIAF COc1cccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602129 WJVHISIHDVGFIU-REWPJTCUSA-N 376.408 4.364 0 1 GIAF CCOc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587660840 UHIOJZFIJPVYRR-UHFFFAOYSA-N 388.398 4.290 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)nc2C(C)(C)C)N1 587765846 UOOZUUVGXFAWPL-MGPLVRAMSA-N 380.305 4.243 0 1 GIAF COc1ncc(C)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587766385 GBVJYUGFIBMIMV-BBATYDOGSA-N 379.273 4.098 0 1 GIAF CCOC(=O)[C@@H]1CCCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587800288 WRZJZZFGKLXPIV-SPKLELGKSA-N 398.316 4.461 0 1 GIAF Cc1ccc2c(c1)OC[C@]1(CO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587836703 XLCXZOOWNFLDNW-BLVKFPJESA-N 392.268 4.098 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc([S@@](C)=O)cc2)N1 587837901 AGICQOOVKXVLDG-YUGUOILESA-N 396.325 4.123 0 1 GIAF COc1ccc2c(c1)C[C@H](c1nc3[nH]c(Cl)nc(C(F)(F)F)c-3n1)CC2 587938489 YQIDQJPJJSLHPZ-SECBINFHSA-N 382.773 4.258 0 1 GIAF CC[C@H](Cc1ccc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc1)C(=O)O 653807583 UXMZTVMTKYVXFH-OAHLLOKOSA-N 395.377 4.169 0 1 GIAF C=C1C=C(C)n2c(c(Cc3ccc(F)cc3)c(=O)n2CC(=O)c2ccccc2)N1 957654796 YKFHTPCRABNRPQ-UHFFFAOYSA-N 389.430 4.063 0 1 GIAF COc1cccc([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c1OC 962706854 MIXAWGYQHPMNJX-NYHFZMIOSA-N 387.520 4.470 0 1 GIAF CC(=O)O[C@H](C=C(CCC=C(C)C)C(=O)O)C[C@H](C)[C@@H]1C=C[C@@](C)(O)CC1 2356786911 SXVJMKQNUYLIKJ-PBNJOUANSA-N 378.509 4.419 0 1 GIAF CC(C)(C(=O)Nc1ccccc1)n1cc(NC(=O)c2ccc3ccccc3n2)cn1 206058345 QNCSAKLPAFFAPE-UHFFFAOYSA-N 399.454 4.057 0 3 GIAF CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CCCC[C@@H]1O 777200 SZKMZSZTBUJMPF-KGLIPLIRSA-N 394.874 4.465 0 1 GIAF COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1CC(=O)Nc1ccccc1 6576862 FUOOFZYISRPLNL-NKKJXINNSA-N 394.515 4.002 0 1 GIAF O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(C2CCCCC2)ccc1=O 25434052 RNTUKDMFWILJAG-APWZRJJASA-N 394.490 4.295 0 1 GIAF biogenic O=C(Nc1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1)N1CCOCC1 28529129 SYRBFAPNWNPMEH-UHFFFAOYSA-N 383.231 4.355 0 1 GIAF in-vitro CCCCN(CCCC)C(=O)CCCNCC(=O)Nc1c(C)cccc1C 28706778 XKRSZOXNSWJDLA-UHFFFAOYSA-N 375.557 4.041 0 1 GIAF CCc1nnc2n(-c3ccc(Cl)cc3)c(=O)c3c4c(sc3n12)CCCC4 45245532 HSUGAHUCMFTLGK-UHFFFAOYSA-N 384.892 4.190 0 1 GIAF NCCCCCNc1nc(Nc2cccc(F)c2)nc(-c2ccccc2F)n1 45372752 XOSLLNSIXDSYSF-UHFFFAOYSA-N 384.434 4.101 0 1 GIAF C=CC(=O)N1CCc2c(sc3ncnc(N[C@H](CC)c4ccccc4)c23)C1 64527143 HWDOWDDBEOZIIE-MRXNPFEDSA-N 378.501 4.325 0 1 GIAF C[C@@H](CNc1ncnc2c1nc(C1CC1)n2C[C@H]1CCCO1)c1ccccc1 82188871 QCEVBAWTTZSXSG-MAUKXSAKSA-N 377.492 4.098 0 1 GIAF Cn1cc(-c2cnc3[nH]cc(-c4cnn(Cc5cc(F)ccc5F)c4)c3c2)cn1 95921281 SDWMCZUOCJDBOJ-UHFFFAOYSA-N 390.397 4.153 0 1 GIAF in-vitro C[C@H](/C=C/C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 118924400 RFZOTNNDUHYGNN-RQBLKUNCSA-N 390.564 4.254 0 1 GIAF CC[C@@H](NC(=O)c1cc(C(=O)N[C@@H](C)C2CC2)n2c1CCCC2)c1ccccc1 143837727 OCNLKBPSCPGUNX-OXJNMPFZSA-N 393.531 4.234 0 1 GIAF Oc1nc(CCCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccc12 299859231 FNQZERHMAKBUPE-UHFFFAOYSA-N 396.922 4.134 0 1 GIAF Nc1nccc(Oc2ccc(NC(=O)Nc3nc4ccccc4s3)cc2)n1 299870935 XFZQJIPBYQQJHZ-UHFFFAOYSA-N 378.417 4.105 0 1 GIAF CC(C)(OC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1)c1cc(N)on1 473166100 DHKPUFSJXNHFGU-UHFFFAOYSA-N 385.464 4.190 0 1 GIAF CCOC(=O)[C@@H]1Cc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C=C1C 586990840 GEQLXPQDTRZZNN-OAHLLOKOSA-N 385.419 4.291 0 1 GIAF Fc1cc(Br)c2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2c1 587177695 UPZQFCJQZXETJG-UHFFFAOYSA-N 379.208 4.266 0 1 GIAF C[C@H](O)[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587357605 UTJKOOVSOWCCOD-HRCLSFSHSA-N 392.426 4.253 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)n(C)c4ccc(C=O)cc14)[C@@H](C2)C3=O 587418368 ALVRYCLLTCURKN-VBKZILBWSA-N 381.815 4.142 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4c(F)c(F)c(F)c(F)c14)[C@@H](C2)C3=O 587427415 IBZXJLGNJLIKGM-RLBGWGEZSA-N 377.293 4.222 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)c(OC)c(OC)c1)CC2=O 587477709 IJKSLCNLHYOJDS-QFIPXVFZSA-N 386.444 4.251 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H]2[C@H]([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2C1 587518336 GEDMEMBBEPUBBL-PIKOESSRSA-N 383.488 4.012 0 1 GIAF CC(=O)Oc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602890 ZMFHCSVUVXOAHZ-DENIHFKCSA-N 376.364 4.020 0 1 GIAF C[C@@]1(c2cc(C(=O)O)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609967 AXRZAWZBXZDYIF-UZLBHIALSA-N 382.393 4.029 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3[nH]c(Cl)ncc2-3)N1 587706558 QNISPZULNURFPR-NXSYQRQQSA-N 395.663 4.088 0 1 GIAF CCOC(=O)C1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CCC1 587794855 HLQADAJYIIBWNL-DIFFPNOSSA-N 384.289 4.071 0 1 GIAF CCCCC[C@@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795412 IWOTWDTUILOJPG-KPZWWZAWSA-N 386.305 4.461 0 1 GIAF C[C@]1(c2cc(Cl)ccc2Br)N[C@H](C(=O)O)Cc2cccc(F)c21 962901945 USOPOFKGHIJWFO-WMLDXEAASA-N 398.659 4.104 0 1 GIAF CC1CCC2(CC1)C[C@@]1(c3ccc(O)cc3O2)c2c(N)ccc3c2CCN1C3 962963998 XSAKXEPZYPUSTN-OALSHYCUSA-N 376.500 4.321 0 1 GIAF Cc1cc(-n2cccc2[C@H]2NCCc3ccc(O)cc32)ccc1Br 963350904 DYGDHCDVDQNAOE-FQEVSTJZSA-N 383.289 4.489 0 1 GIAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)[C@@H](C[C@H](OC(C)=O)[C@@H]12)C3 2356337496 ZLRHETLONDHLRQ-BQQIQZADSA-N 390.520 4.073 0 1 GIAF CCc1nc2c(OCc3ccc(F)cc3)cccn2c1N(C)C(=O)c1ccco1 61895621 YGRPEGFGPGIJLX-UHFFFAOYSA-N 393.418 4.484 0 3 GIAF COc1cc2c(cc1OC)C(=O)[C@H](CC1CCN(CCc3ccccc3)CC1)C2 3814290 UANSVLTVARSCFF-OAQYLSRUSA-N 393.527 4.404 0 1 GIAF CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2F)[C@H]1c1cccs1 6725205 YDOHZYMWQQYTSI-RBUKOAKNSA-N 380.444 4.436 0 1 GIAF O=C(O)CNC(=O)/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl 13814747 CWSUIEYYQAGTLS-VMPITWQZSA-N 382.268 4.359 0 1 GIAF O=C(O)c1cc(Br)cc2c(=O)cc(-c3ccc4ccccc4n3)oc12 26022618 BUGOZJCZAQTPAF-UHFFFAOYSA-N 396.196 4.469 0 1 GIAF CC[C@H](C)N(C[C@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@@H](C)CC 27656571 YNGZJSALRCLELM-FEHORTKBSA-N 380.960 4.091 0 1 GIAF COc1ccc(C[C@@H]2c3c(Br)cccc3CCN2C)cc1OC 28462806 YOUJFEKRDUOBQK-MRXNPFEDSA-N 376.294 4.238 0 1 GIAF CCCCC[C@H]1/C=C/[C@H]2[C@H](OC(C)=O)C[C@H](O)[C@@H]2C/C=C\CCCC(=O)O1 34370097 DKLUJLHAYRSKSQ-RBFHUNFKSA-N 378.509 4.094 0 1 GIAF O=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCc1cccnc1 40405398 YQTHTQPOPYRLCV-UHFFFAOYSA-N 378.379 4.421 0 1 GIAF CC(=O)N[C@@H](C[C@@H](C)N1CCC(n2c(C)nnc2C(C)C)CC1)c1ccccc1 40897997 YNOPQUVBQVNCRE-VGSWGCGISA-N 397.567 4.003 0 1 GIAF CN1CCN(c2ccnc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc23)CC1 45324421 OINGFWGDSVXBPI-UHFFFAOYSA-N 395.894 4.284 0 1 GIAF O=C1N(Cc2ccc(Cl)cc2)CCC12CCN(Cc1ccc(F)cc1)CC2 64513028 CXTMJQWHPSVYLS-UHFFFAOYSA-N 386.898 4.494 0 1 GIAF O=C(Nc1ccc(N2CCNCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 84619537 PPDZWHVZYSPBOB-UHFFFAOYSA-N 381.863 4.262 0 1 GIAF CSCC[C@H](NCCC(=O)N1c2ccccc2C=Cc2ccccc21)C(=O)O 103210361 RRBVUZYUXWGETM-SFHVURJKSA-N 396.512 4.021 0 1 GIAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@H]2C)OCO4)c1OC 105518521 GWPIAAOPZQZVTR-NNIZRDCOSA-N 397.471 4.015 0 1 GIAF C[C@@H]1c2cc(OCc3nnn[nH]3)c(Cl)c(Cl)c2C(=O)[C@@H]1C1CCCC1 169345802 WNANQMQYBCXCMU-OQPBUACISA-N 381.263 4.192 0 1 GIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 586964045 SYFQWCTXLAMRSC-LBPRGKRZSA-N 392.868 4.050 0 1 GIAF COc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2cc1C 587002342 YYXUFNZPFMTFJF-AWEZNQCLSA-N 399.292 4.366 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3cc(Cl)cc(C)c3[nH]2)C(F)(F)F)n1 587092994 CNGPWNOSEQNGTA-AWEZNQCLSA-N 375.803 4.282 0 1 GIAF CN(C)CCOc1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134588 NHTCOPIAVZRNTI-XQRVVYSFSA-N 397.347 4.369 0 1 GIAF COc1cc(-c2nc3c(Cl)ncnc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143528 HFXCSBLEZUZFDU-UHFFFAOYSA-N 398.781 4.186 0 1 GIAF CN(C)S(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587153421 QWKHMUJBCMGRCP-UHFFFAOYSA-N 395.459 4.286 0 1 GIAF CC(C)Oc1cc2nc(-c3cccc(N)c3C(=O)O)[nH]c2cc1Br 587248286 LQSSGQDLYACROK-UHFFFAOYSA-N 390.237 4.060 0 1 GIAF CC(C)(C)OC(=O)[C@H](N)CCc1nc2ccc(Sc3ccccc3)cc2[nH]1 587255734 PGFRZVQSMBXKBW-MRXNPFEDSA-N 383.517 4.316 0 1 GIAF C[C@@]1(c2cnc3ccccn23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341733 XILSUHLPBNIOBG-GMAHTHKFSA-N 388.398 4.453 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 587474804 HHBGMBZDPSAXIP-ASSNKEHSSA-N 375.465 4.078 0 1 GIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1F 587558488 SPFVQBFGSOOTKX-IERDGZPVSA-N 384.334 4.382 0 1 GIAF COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2cccc(F)c12 587636688 CTTNJDFIZRMPJI-LBPRGKRZSA-N 376.428 4.208 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(C(=O)O)c(-c3ccc(Cl)c(Cl)c3)c2c1 587650172 YPGRNDFNFWIUIQ-UHFFFAOYSA-N 384.240 4.243 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(C(=O)O)c(F)c2)N1 587726779 ZUMSTFQRIXEVCF-VPTHRUTESA-N 382.204 4.049 0 1 GIAF CCc1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 587774760 XMCGSPBGELUBGZ-WYRIXSBYSA-N 388.284 4.422 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)CCN3)N1 587793793 LIOZCKHFZSKOQB-JEOXALJRSA-N 375.285 4.354 0 1 GIAF NS(=O)(=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587949582 IBXMRDNPUDBDKO-RAXLEYEMSA-N 391.452 4.173 0 1 GIAF Cc1cc2c(cc1F)[C@@](CCCCC(=O)O)(c1cccc(N(C)C)c1)NCC2 962096457 YBHXWCLEICDMJU-HSZRJFAPSA-N 384.495 4.234 0 1 GIAF Cc1cccc2[nH]cc([C@H]3N[C@H](C(=O)O)Cc4cc(OC(F)(F)F)ccc43)c12 962634019 JPKZSJMXWGOLPF-WMZOPIPTSA-N 390.361 4.063 0 1 GIAF COc1ccc2c(c1)[C@](C)(c1cc(Br)ncc1F)N[C@H]1CC[C@@H]21 962995407 NGMNRKVWWCZWJE-ULFGMLNVSA-N 377.257 4.105 0 1 GIAF Cc1ccc(C)c([C@]2(CC3OCCO3)c3ccc(F)cc3C[C@H]3CCCN32)c1 963113626 VDJPMVHAPFFNOU-YKSBVNFPSA-N 381.491 4.470 0 1 GIAF Cn1c(C(=O)Nc2ccccc2)c(I)c2sccc21 1772624875 AFZUCSRPSAGMFT-UHFFFAOYSA-N 382.226 4.097 0 1 GIAF Fc1ccc2nc(Cl)c(Cn3nnnc3CSc3ccccc3)cc2c1 1772648878 WZLIHRQRDPVJKP-UHFFFAOYSA-N 385.855 4.354 0 1 GIAF c1ccc(C[N@]2C[C@@H]2COc2cccc3c[n+](Cc4ccccc4)ccc23)cc1 1857627009 RVIXBLIWKFDYEZ-UFHPHHKVSA-N 381.499 4.439 0 1 GIAF c1cc(-c2ccc3ncnc(Nc4cncs4)c3c2)cc(N2CCOCC2)c1 1857636592 SZYKXMGFSDJFLJ-UHFFFAOYSA-N 389.484 4.334 0 1 GIAF COc1ccc(OC)c2c1C[C@@H]1c3cc(Cc4ccccn4)sc3CCN1C2 1857643364 HBODCSTXGPKTQL-HXUWFJFHSA-N 392.524 4.407 0 1 GIAF C[C@]12CC[C@@H]3C(=C1C[C@H](O)[C@@H]2c1ccc(=O)oc1)CC[C@@H]1C[C@H](O)CC[C@@]31C 2356600271 GJXJCPZVJOLKQN-XFLWUNKTSA-N 384.516 4.162 0 1 GIAF C[C@]1(C(=O)NC(=S)N(Cc2ccccc2)c2ccccn2)CC1(Cl)Cl 5657760 OGSXIDHYQQALQI-QGZVFWFLSA-N 394.327 4.073 0 3 GIAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccccc4)cc2C[C@H]3[C@H]1C5 13559699 GRNLHIJZMLLROK-RXJAJXMTSA-N 396.490 4.258 0 1 GIAF CN1CCN(c2ccc(Nc3ncc4ccn(C5CCCCC5)c4n3)cc2)CC1 14954840 NHWDCHTVLMYOHN-UHFFFAOYSA-N 390.535 4.432 0 1 GIAF CC(C)(C)NC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@H]2NC(=O)C=C[C@]12C 26573783 TZGIZZLIODQXPC-KYDHKNGTSA-N 386.580 4.205 0 1 GIAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccccc1-n1ccnc1 26752735 PQSBDJPGIKFWMA-QOJBNDRUSA-N 395.459 4.074 0 1 GIAF O=C(O)c1cn2c3c(c(Cl)c(F)cc3c1=O)S[C@H](c1ccc(F)cc1)C2 27099232 FLJAWEMNOIXWEA-ZDUSSCGKSA-N 393.798 4.478 0 1 GIAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2ccc(Cl)c(Cl)c2)C1 36380746 SLBZKHUDANCMHX-UHFFFAOYSA-N 399.347 4.050 0 1 GIAF C/C=C/c1ccc(O[C@@H](C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 38249279 LNEPYGTUEWFPKT-XSPAYHLVSA-N 388.460 4.255 0 1 GIAF biogenic,in-vitro C[C@H]1[C@H](c2cccc(Cl)c2)OCC(C)(C)N1C(=O)CCN1CCCCC1 45209723 KLWRRDGRZPNIEA-OXJNMPFZSA-N 378.944 4.283 0 1 GIAF COC(=O)c1ccc(C[C@H](C)NC[C@H](O)c2cccc(Cl)c2Cl)cc1 45324824 HIIZCRRNCSZKGL-SJCJKPOMSA-N 382.287 4.034 0 1 GIAF CN(C)CCCNCc1nccc2c3ccccc3n(Cc3ccc(F)cc3)c12 72118241 QVXQXYLNMJZGBV-UHFFFAOYSA-N 390.506 4.418 0 1 GIAF Cc1c([C@H](C)[C@H](C)O)c(O)c2oc3cc(=O)c(C)c4c-3c(c2c1O)O[C@@H](C)[C@@H]4C 72169766 HESPWWKIRCFDQL-PSJXJDHFSA-N 398.455 4.295 0 1 GIAF biogenic CCN(CC)c1nc(NCc2ccc(C)cc2)nc(Oc2ccc(OC)cc2)n1 82067082 IZJVRAGTLAQGGB-UHFFFAOYSA-N 393.491 4.439 0 1 GIAF COc1ccc(-c2csc(NC(=O)c3c(C)cc(=O)oc3C)c2)cc1OC 96282749 ATLFYSPRHHFALQ-UHFFFAOYSA-N 385.441 4.255 0 1 GIAF C=Cc1cc2c(cc1N1CCOCC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O 114800621 RVDYWGXCPITQBX-UHFFFAOYSA-N 397.478 4.389 0 1 GIAF CN(C)Cc1cccc([C@@H]2c3n[nH]c(=O)c4cccc(c34)N[C@@H]2c2ccccc2)c1 118624531 JROUHZIBVBIHNE-JTHBVZDNSA-N 396.494 4.283 0 1 GIAF O=C(NCCc1cccs1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166156758 HEEYHVBQPJYTAJ-UHFFFAOYSA-N 391.496 4.268 0 1 GIAF Cc1ccc(N2CCc3ncnc(N(C)Cc4cccc(Cl)c4)c3C2)nc1 202609423 PDBKEQXPVNYXRC-UHFFFAOYSA-N 379.895 4.033 0 1 GIAF COc1ccc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)cc1 218389584 IGUFQYBODOEHLI-HSZRJFAPSA-N 389.495 4.160 0 1 GIAF O[C@H](COc1cccc(-c2cccc3[nH]cnc23)c1)CN1CCc2ccccc2C1 218396794 KRYNVEJDIKJPAT-NRFANRHFSA-N 399.494 4.028 0 1 GIAF O[C@H]1CC[C@H](Nc2nccc(-n3ccc4c(N5CCCCC5)cccc43)n2)CC1 261134863 LVAWCWUJUNENBB-IYARVYRRSA-N 391.519 4.126 0 1 GIAF Cc1cc(Cc2nc3cc(Br)ncc3[nH]2)ccc1Br 586977918 VLPRDZJDKTWRKF-UHFFFAOYSA-N 381.071 4.382 0 1 GIAF COc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1F 587020125 XWTQKMYUDIZWMT-UHFFFAOYSA-N 388.449 4.072 0 1 GIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc4c(cc3[nH]2)OCCCO4)s1 587023063 IVFFHVAKRSJAOS-UHFFFAOYSA-N 388.449 4.195 0 1 GIAF CCOC(=O)[C@@H](Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2)C(C)=O 587098767 UDTJBQYZVHSWLD-IBGZPJMESA-N 387.435 4.065 0 1 GIAF CCC[C@]1(C2CCNCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346989 KGXXZCATJXPZDP-JTHBVZDNSA-N 383.463 4.429 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3cc(C(F)(F)F)ccc3n1C)O2 587383815 VVHQOCBRJMNIPU-INIZCTEOSA-N 375.350 4.189 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cccn1Cc1ccccc1OC)[C@@H](C2)C3=O 587432804 ZGDJFNHKIYTFCJ-SBUREZEXSA-N 375.424 4.042 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)OC(C)C)cc1)CC2=O 587482659 PQYJSAKJJKNCKL-OAQYLSRUSA-N 398.455 4.382 0 1 GIAF C[C@@]1(c2c(F)cccc2N2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587506834 PXKXFOKJRNNUQI-DEOSSOPVSA-N 395.474 4.422 0 1 GIAF C[C@H]1CN(Cc2ccccn2)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517561 PQMRUDFMIAEZMU-XDHUDOTRSA-N 376.500 4.206 0 1 GIAF CC[C@@]1(c2ccc(O)c(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594621 OZGFJNLTVWCUTB-OFNKIYASSA-N 392.407 4.374 0 1 GIAF COC(=O)c1c(-c2cnn(C)c2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587627655 HEBKJSUZQWYEEH-UHFFFAOYSA-N 391.271 4.393 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc(Cl)cc2)N1 587695522 BMTJADQGBLSCEK-XYZCENFISA-N 398.659 4.104 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3[nH]cnc(Cl)c2-3)N1 587705738 OHOXTMYBSDPYFY-WJWGPLDTSA-N 395.663 4.088 0 1 GIAF COc1ccc(F)c(F)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587718534 NGMACEUNMLJKJZ-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3cc(F)ccc32)N1 587737154 YKNZVXQEQPALOX-MLCYQJTMSA-N 378.216 4.411 0 1 GIAF CC[C@@]1(C2(C(=O)OC)CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806101 JDANTKGZPHVIOW-BBATYDOGSA-N 384.289 4.071 0 1 GIAF CC[C@]1(C2(C(=O)OC)CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587806102 JDANTKGZPHVIOW-VOJFVSQTSA-N 384.289 4.071 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ncc(Cl)s2)N1 587851182 BEWIAQUOSXNINZ-JKYUHCHBSA-N 375.694 4.496 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=N)c1ccnc(Cl)c1 587862027 ZPWBHDSAUYAPNY-UHFFFAOYSA-N 380.757 4.500 0 1 GIAF COc1ccc(-c2cc(O)n([C@@H](COc3cc(F)cc(F)c3)N=O)c2O)cc1 587945325 MYDYXRBESOVFRZ-KRWDZBQOSA-N 390.342 4.197 0 1 GIAF O=C(O)[C@@H]1C[C@H](C2=CCCN(c3ccccc3)C2=O)c2ccc(Cl)cc2N1 1772624314 KJGLZIKUPDWSJQ-HKUYNNGSSA-N 382.847 4.056 0 1 GIAF CCOC(=O)/C=C/c1c(/C=C/c2ccc(OC)cc2)cc(OC)c(OC)c1OC 1772651964 VSRYQQXOURBJGZ-CDITWBNYSA-N 398.455 4.468 0 1 GIAF COc1ccc(-c2coc3cc(OCCNC4CCCC4)ccc3c2=O)cc1 1857569919 KHXPXAKXEQDVJW-UHFFFAOYSA-N 379.456 4.380 0 1 GIAF C[Si](C)(C)c1c(-c2ccc(F)cc2)noc1-c1ccc(S(C)(=O)=O)cc1 1857764295 HUIVTVNXFLMXLM-UHFFFAOYSA-N 389.524 4.096 0 1 GIAF CC(C)=CC=C[C@H](C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@@H]4C(=CC=C12)C(=O)N[C@@]4(O)C[C@@]3(C)O 2356326475 XLWSRBGCDBHJIY-XDZDCVMLSA-N 397.559 4.023 0 1 GIAF CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccn2)[C@H]1c1c[nH]c2ccccc12 2469287 NHVYNJARUXPAOG-FGZHOGPDSA-N 396.450 4.112 0 1 GIAF CC(C)Nc1ccc(F)cc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 5835126 GATRPSGBWAIHAN-UHFFFAOYSA-N 380.467 4.090 0 1 GIAF COc1c(OC/C=C(\C)C[C@@H](C=C(C)C)OC(C)=O)ccc2ccc(=O)oc12 13481656 CSEHFWRYAPKMKF-SPQRHKFCSA-N 386.444 4.415 0 1 GIAF biogenic,in-vitro O=C(CCC1CCCCC1)N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O 13606617 ABIZILFXGUEEKM-QHCPKHFHSA-N 389.499 4.279 0 1 GIAF O=S(=O)(NC1[C@H]2CC[C@@H]1Cc1ccccc1C2)c1ccc(C(F)(F)F)cc1 28349040 HOFKPENNKVTRGZ-MCPYQZEQSA-N 395.446 4.177 0 1 GIAF CN1CCC[C@H](CN2c3ccccc3Sc3cc(N4CCOCC4)ccc32)C1 28821646 FZAIKTLYRKPDGL-SFHVURJKSA-N 395.572 4.468 0 1 GIAF Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cncc4[nH]nc(N)c34)cc2)c1 29130122 BDPBZUHWAVABDM-UHFFFAOYSA-N 376.395 4.299 0 1 GIAF COc1c(NC(C)=O)c(OCCN2CCCCCCC2)c(OC)c2occc12 29400414 KQZJSQXVAOYUTK-UHFFFAOYSA-N 390.480 4.053 0 1 GIAF O=C(O)c1cc(F)ccc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O 29478139 ZSEGSAMJKNPAIJ-KSFYIVLOSA-N 378.399 4.476 0 1 GIAF Cc1cc(F)ccc1[C@@H]1CCc2c(C(=O)N(C)C)cc3c(nc(C)n3C)c2O1 34602348 KAESHZVQRDUXKU-IBGZPJMESA-N 381.451 4.097 0 1 GIAF O=C(O)C1=Cc2cc(Cl)cc(-c3ccc(CO)cc3)c2O[C@H]1C(F)(F)F 66066618 LPUGRUAXJGJCMX-MRXNPFEDSA-N 384.737 4.291 0 1 GIAF CC[C@H]([C@@H](C)O)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72100924 PMNPDZIPKKSQML-HVETUWLQSA-N 387.955 4.038 0 1 GIAF CCCCNc1ncc(C(=O)NCc2ccccc2)c(-c2ccccc2F)n1 82152469 OKSUWBYIAOJOLB-UHFFFAOYSA-N 378.451 4.425 0 1 GIAF CCN(C)c1ncc(C(=O)N(CC(C)C)CC(C)C)c(-c2ccc(F)cc2)n1 82216473 WYXLPBZPIKSTHE-UHFFFAOYSA-N 386.515 4.493 0 1 GIAF CCC(CC)(CO)COc1cccc2ccc(-c3nnc4ccccn34)nc12 96175122 JMXDXNXSONBWNR-UHFFFAOYSA-N 376.460 4.122 0 1 GIAF COc1ccc(NC(=O)Cc2cs/c(=N/c3ccc(Cl)cc3)n2C)cc1 101141025 VXRCTQRKWRCSTH-ZBJSNUHESA-N 387.892 4.162 0 1 GIAF C[C@@]1(c2cc(Nc3ccccc3OCC(F)(F)F)ccc2F)COCC(N)=N1 143045383 AZHQHJIUMFMAEH-SFHVURJKSA-N 397.372 4.113 0 1 GIAF FC(F)(F)c1ccc(N[C@H]2C[C@@H](Oc3ncccc3C3CCOCC3)C2)nc1 143455409 MUVPXYPHRKIAAD-WKILWMFISA-N 393.409 4.411 0 1 GIAF CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@H]3CN=C4CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@@H]3CC[C@]12C 169714078 DEAVUWHJOWDMKM-IJPLKHQOSA-N 384.564 4.030 0 1 GIAF Cc1ccc(F)cc1C(=O)Nc1ccc(N2CC[C@H](N3CCC[C@H]3C)C2)cc1 299845747 VRGKQMUSWKTAOP-UTKZUKDTSA-N 381.495 4.449 0 1 GIAF O=C1c2ccccc2-c2cc(-c3ccc(-n4cncn4)cc3)nc3ccc(O)c1c23 586987843 SJIYYINIMPHIPY-UHFFFAOYSA-N 390.402 4.400 0 1 GIAF O=C1C[C@@H](Cc2nc3c(Cl)ccnc3[nH]2)c2c(Br)cccc2O1 587002468 GIOHNVSDMNTUCZ-MRVPVSSYSA-N 392.640 4.009 0 1 GIAF Cc1cc(Cl)ccc1OCCCc1nc2nc(Br)c[nH]c-2n1 587066103 IFFLYFIVZRDMSW-UHFFFAOYSA-N 381.661 4.040 0 1 GIAF Cc1cc(Br)c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1F 587138086 VQJZVOLBSHOWSU-UHFFFAOYSA-N 375.123 4.200 0 1 GIAF COc1ccc(-c2nc3cc(F)cc(F)c3[nH]2)c(I)c1 587179884 IILUDMJFZLIHGN-UHFFFAOYSA-N 386.139 4.121 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc(Br)c1O)O2 587379020 ZOGJVJWBQANFPX-CQSZACIVSA-N 382.641 4.405 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(-n3c(C)cnc3O)cc1)CC2=O 587470480 KAIDBWHLSWUELI-HSZRJFAPSA-N 392.455 4.425 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(=O)O)[nH]c3ccc(OC)cc13)CC2=O 587484427 PAKDUPVAVKAHTG-GOSISDBHSA-N 395.411 4.239 0 1 GIAF O=C1C[C@@H](c2ccc(N3CCC(CO)CC3)cc2)Oc2c1ccc1c2CCCC1 587515165 QQKRTWTUZPTZSG-DEOSSOPVSA-N 391.511 4.481 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc2ccccn12 587552337 QKMMLOJMEODOTI-JXFKEZNVSA-N 392.798 4.396 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Cl)cnc1Cl 587555339 ZWAIKYFRNRFUAV-GUYCJALGSA-N 389.194 4.192 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cn2cccn2)c1 587583159 UBCNGLKAVCDQHW-ZJSXRUAMSA-N 398.418 4.340 0 1 GIAF CCn1cc([C@@]2(CC)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587583688 WOOILHHTQOMMBS-SIKLNZKXSA-N 378.428 4.184 0 1 GIAF CCOC(=O)c1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587636778 IILVPYMUWBKSEH-UHFFFAOYSA-N 388.217 4.472 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc(Cl)cnc2Cl)N1 587707414 VNQLIKVYOZYAKF-INWYIAFRSA-N 391.071 4.309 0 1 GIAF C[C@H]1CN(C(C)(C)[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)C[C@@H](C)O1 587771759 XNDROEKPQBQDEU-ZIVKBKJYSA-N 399.348 4.051 0 1 GIAF CC[C@@]1(c2ccc(C(=O)O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587826794 MACAXQGVIMKSJL-WLRWDXFRSA-N 392.268 4.474 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2nccs2)N1 587852925 JIQKSEIIKQWXMW-FVMDXXJSSA-N 383.286 4.067 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1Cc1cncc(Br)c1 587869848 TYGCXSYKBSAWKN-UHFFFAOYSA-N 376.229 4.294 0 1 GIAF O=C(c1cn2cc(C(F)(F)F)ccc2n1)n1nc2cc1Oc1ccc(F)cc1-2 587873890 LJUCLRVVTZAZOG-UHFFFAOYSA-N 388.280 4.150 0 1 GIAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc(Cl)s2)N1 962698271 GMPHGVBKUJEPSI-GXFFZTMASA-N 379.762 4.248 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)N1 962940289 ADBQSHJNNNOPDM-XEQHDAIISA-N 378.520 4.313 0 1 GIAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@]2(c1cccnc1)c1ccc2c(c1)CCO2 963093427 BPWSXOYOFLWBCQ-DHLKQENFSA-N 386.470 4.468 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)CCc1ccc(OC(C)=O)cc1 963636476 RDLRQBSIENVFAQ-NPMXOYFQSA-N 383.488 4.011 0 1 GIAF COc1ccc(CO)cc1-c1cccc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772589176 OVCVEVWHHRRZFO-SFHVURJKSA-N 383.469 4.226 0 1 GIAF COc1cc(CC(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc(OC)c1OC 1857600814 ZOPXRWUCDOFXAA-UHFFFAOYSA-N 398.455 4.331 0 1 GIAF O=C(O)c1ccnc(Nc2cc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3cn2)c1 1857646029 HXPMTMKRBFXJPW-UHFFFAOYSA-N 399.332 4.481 0 1 GIAF Cc1c(C(=O)NN2C(=O)CS[C@@]23CCCC[C@@H]3C)[nH]c2ccc(Cl)cc12 1911575805 FCBSKUHIWDNKTA-JEOXALJRSA-N 391.924 4.256 0 1 GIAF CO[C@H]1O[C@@H](OC)C2=C1[C@@]1(C)CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)O)[C@@H]1CC2 2356791333 GONHLEBMRHPYFF-FBERJECYSA-N 378.509 4.366 0 1 GIAF Cc1nc2ccccc2c2oc(C(=O)N3CCC(N4CCCCC4)CC3)cc12 4902313 CPZSGWCHLMSSAF-UHFFFAOYSA-N 377.488 4.380 0 3 GIAF CC(=O)N[C@H](c1ccc(F)c(F)c1)c1nc(-c2cccc(C(=O)O)c2)cs1 61926412 GAPRQIKDVHSYKU-QGZVFWFLSA-N 388.395 4.012 0 3 GIAF CCCC[C@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)Cc2ccccc2O1 12126482 DIWRPLOLUJXKBP-KRWDZBQOSA-N 377.440 4.387 0 1 GIAF NCc1ccc(NC(=O)C[C@@H]2CCc3cc(Cl)cc4[nH]c(C(=O)O)c2c34)cc1 13493296 YJGFPBHTLUTDBZ-ZDUSSCGKSA-N 397.862 4.037 0 1 GIAF CCN(CC)C(=O)c1ccc(C(=C2CCNCC2)c2ccccc2OC)cc1 13814356 MVXHVHQGOPGRBP-UHFFFAOYSA-N 378.516 4.363 0 1 GIAF O=C(CCN1C(=O)c2ccccc2Sc2ncccc21)NC1CCCCCC1 20512095 WWNKYDRQTOPSBO-UHFFFAOYSA-N 395.528 4.422 0 1 GIAF COc1ccc(OC)c(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c1 34338998 HRZLBURNYNJSIA-UHFFFAOYSA-N 376.338 4.318 0 1 GIAF CCCSC(=O)CCCNC(=S)Nc1cc(OC)c(Cl)cc1OC 66100003 NVDHSHUQVLWRHB-UHFFFAOYSA-N 390.958 4.094 0 1 GIAF CNC(=O)c1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1 84635202 WRQUIXFAFPZCFQ-UHFFFAOYSA-N 376.525 4.030 0 1 GIAF Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(OC(C)(C)C(=O)O)cc1 95559519 MPQUTKCVLJIPOQ-UHFFFAOYSA-N 394.427 4.073 0 1 GIAF COc1ccc(Oc2c(Cl)cnn(Cc3ccc(Cl)cc3)c2=O)cc1 95598417 ADDYJPMIFZFGEZ-UHFFFAOYSA-N 377.227 4.399 0 1 GIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(-n3cccc3)c2)n1 142151168 JXQQNLDFVQDOOM-QFBILLFUSA-N 391.475 4.422 0 1 GIAF CC(=O)[C@@H](CCCCCCC(=O)O)CCC[C@@H](O)COc1ccc(F)cc1 169316929 YXEJLBHGDXMBNT-PKOBYXMFSA-N 382.472 4.366 0 1 GIAF CN(C)c1ccc(-n2c(=O)n(C)c3cnc4ccc(-c5ccncc5)cc4c32)cc1 169354044 UMZQRWYCRWSLLB-UHFFFAOYSA-N 395.466 4.005 0 1 GIAF CC[C@@H](Oc1ncc(Cl)cc1Cl)C(=O)NCc1ccc2[nH]ccc2c1 205833504 SLSYMFIQOLTDDZ-MRXNPFEDSA-N 378.259 4.344 0 1 GIAF COC(=O)c1ccc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2n1 587020530 AYWSPNDPTHAZAL-UHFFFAOYSA-N 396.497 4.469 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(C)cc(C)c3[nH]2)cc1 587042236 KNUKJQYLVMDEBZ-GOSISDBHSA-N 381.501 4.466 0 1 GIAF CC1=C(c2ccc3nc(C4(c5ccc(Cl)cc5)CCC4)[nH]c3c2)NNC(=O)C1 587073874 NFBJYNFGXNDYCO-UHFFFAOYSA-N 392.890 4.442 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3ccc(C(C)(C)C)nc3[nH]2)C(F)(F)C1 587133146 YOSQQNGRRKZVJB-NSHDSACASA-N 380.439 4.225 0 1 GIAF O=C(O)c1cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2cc1F 587161979 AFDUNJQGGHCPPM-UHFFFAOYSA-N 378.334 4.437 0 1 GIAF Nc1c(-c2nc3cc(Br)c(F)cc3[nH]2)cnc2c(F)cccc12 587176516 OIGUDNJVVCHGBN-UHFFFAOYSA-N 375.176 4.401 0 1 GIAF CCN1CCN(c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c(Cl)c2)CC1 587377762 YRHQIXTWNPWSJP-NRFANRHFSA-N 399.922 4.079 0 1 GIAF COC(=O)C[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587381745 KXJUSPQWJWWOKD-LJQANCHMSA-N 393.361 4.020 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1nc4ccccc4cc1Br)[C@@H](C2)C3=O 587410932 AHERTLPCOSZMNL-RNODOKPDSA-N 396.240 4.495 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4n[nH]c5cccc1c45)[C@@H](C2)C3=O 587441958 WDUUHVRBWCPLCA-XDHUDOTRSA-N 380.403 4.243 0 1 GIAF CCOc1cc(OCC)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(OCC)c1 587443505 VOESFVNBOZYQDW-WAIKUNEKSA-N 398.455 4.380 0 1 GIAF COc1cc2c3c(c1)O[C@](C=C(SC)SC)(c1cccnc1)[C@@H](C2)C3=O 587451049 ITQIDMXYSPULQM-MGPUTAFESA-N 385.510 4.301 0 1 GIAF COc1ccc(Br)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587494776 AHFHCTZCDHJCNC-INIZCTEOSA-N 388.261 4.438 0 1 GIAF COc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587507786 SUHJXATZBTUOKO-HSZRJFAPSA-N 398.430 4.439 0 1 GIAF C[C@H](O)[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543966 CTKVJLHQYSKMTD-NCNFXNTHSA-N 396.826 4.284 0 1 GIAF Cc1cccc(OCc2nc3ccc(I)cc3[nH]2)c1C 587564754 XKVKBEKMSFEFDW-UHFFFAOYSA-N 378.213 4.363 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(N3CCCC3)c2)N1 587769233 YJNKPQPAAAYXIJ-BLVKFPJESA-N 390.300 4.207 0 1 GIAF CCOC(=O)C[C@@]1(CC2CCC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587799312 RSXRNNUPEFPFJE-CWTRNNRKSA-N 398.316 4.461 0 1 GIAF CCOC(=O)C[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800796 ZHZWHTCKXVHUAW-ADLMAVQZSA-N 386.305 4.317 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]21CC(C)(C)CC(=O)[C@H]1CCC(C)=O 963258559 OEPUDRXCIDUJHZ-QVKFZJNVSA-N 377.912 4.064 0 1 GIAF CC(C)=CC[C@@H]1Cc2cc([C@H]3CC(=O)c4ccc(O)cc4O3)ccc2O[C@@H]1O 2356571010 CZCONLMTHFNNBM-AECOYVPUSA-N 380.440 4.325 0 1 GIAF C[C@H](CCC(=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 253986344 DGABKXLVXPYZII-OFYXWCICSA-N 392.580 4.478 0 3 GIAF O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccnc1 5173335 BIHLYZJZNSJIGJ-SSGKUCQKSA-N 380.447 4.325 0 1 GIAF O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(CCO)n1 13534756 LDQUUHYSEIMRAJ-UHFFFAOYSA-N 377.227 4.214 0 1 GIAF Nc1sc2c(c1C(=O)c1ccc(I)cc1)CCCCC2 13558671 ZQMMQLUIYNRVIB-UHFFFAOYSA-N 397.281 4.435 0 1 GIAF CCCC(CCC)N1CCn2c(=O)n(-c3cccc(OC)c3)c3nc(C)cc1c32 13652923 GOJQHWGGVQSYQJ-UHFFFAOYSA-N 394.519 4.293 0 1 GIAF O=C(CSc1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1 28569265 VBYVCECUBYUNQR-UHFFFAOYSA-N 394.584 4.265 0 1 GIAF O[C@H](COc1cccc2ccccc12)CN1CCC(Oc2ccccc2)CC1 29203313 DZPUKTCTIGNFBU-FQEVSTJZSA-N 377.484 4.123 0 1 GIAF OCCCCNc1ccc2nc(-c3ccc(F)cc3)c(-c3ccncc3)n2c1 43013915 RAMCVQVSXGVGAR-UHFFFAOYSA-N 376.435 4.387 0 1 GIAF COc1cccc(Nc2nc(C)cc(NCc3ccc(-n4ccnc4)cc3)n2)c1 45201129 PZXBEHSEEKQCLE-UHFFFAOYSA-N 386.459 4.335 0 1 GIAF O=C(CCCc1ccncc1)N1CCN(c2ccc(Cl)cc2Cl)CC1 64573545 PFUAWQGDUFOVII-UHFFFAOYSA-N 378.303 4.060 0 1 GIAF c1ccc(N2CCN(c3cc(Oc4cccc5ccccc45)ncn3)CC2)nc1 82067413 OTULDVYGVGORST-UHFFFAOYSA-N 383.455 4.144 0 1 GIAF CCCCNC(=O)c1cc(NC(=O)CN2CCCC2)ccc1Oc1ccccc1 84707114 PTKCFQGAFMOWLV-UHFFFAOYSA-N 395.503 4.043 0 1 GIAF Cc1ccccc1N1CCN([C@@H](C)c2ccc(Cl)cc2Cl)C(=O)C1=O 95552378 JZBRFCLMCFRNQO-ZDUSSCGKSA-N 377.271 4.238 0 1 GIAF COc1ccc(C(CC[C@@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1 95580850 UXZIIVKNBAQFKC-JOCHJYFZSA-N 375.468 4.222 0 1 GIAF O=S(=O)(c1ccc(Cl)cc1)[C@]1(c2cc(F)ccc2F)CC[C@@H](O)CC1 167521966 RCTIQFHQOVGEJY-UJKQEGAGSA-N 386.847 4.222 0 1 GIAF CCCCC[C@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@H](O)C/C=C\CCCCCCC(=O)O 169622204 DTTMKDYOUCSFNN-TXZQLRKASA-N 396.568 4.213 0 1 GIAF O=C([C@@H]1CNC[C@@]12CCSc1ccccc12)N1CCC(c2ccccc2)CC1 220852535 NBWQARVLSJZWOE-XUZZJYLKSA-N 392.568 4.046 0 1 GIAF CSCC(C)(C)c1nc2c(Br)cnc(Br)c2[nH]1 586968374 CMJPAUHIWKXVOU-UHFFFAOYSA-N 379.121 4.124 0 1 GIAF N[C@H](c1ccsc1)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587024640 DCWQVQUWYRSDJG-SNVBAGLBSA-N 392.200 4.334 0 1 GIAF N[C@@H](Cc1ccccc1Cl)c1nc2c(Br)cnc(Cl)c2[nH]1 587059075 MQPDRDGBMBMBMB-JTQLQIEISA-N 386.080 4.270 0 1 GIAF Nc1ccc(-c2nc3c(F)cnc(Br)c3[nH]2)c(C(F)(F)F)c1 587095603 MGMSUOOABFDNJX-UHFFFAOYSA-N 375.123 4.128 0 1 GIAF COc1ccc(C(=O)c2ccccc2-c2nc3cccc(C(=O)O)c3[nH]2)cc1F 587144309 LLAXGJULTREUAI-UHFFFAOYSA-N 390.370 4.307 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCn3ccnc3)c(Cl)c1)O2 587377308 WHXVWNILYSXFGS-FQEVSTJZSA-N 397.862 4.213 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCCCC1)(c1cc(C)c(O)c(C)c1)O2 587402391 ZWYMQWVGDFOZHV-XMMPIXPASA-N 394.515 4.246 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cc(OC)ccc1Br)[C@@H](C2)C3=O 587413370 NGFRSTUDXHCBNO-IFXJQAMLSA-N 389.245 4.129 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c4ccc(OC)cc14)[C@@H](C2)C3=O 587444912 XDIILPFZWVBGNK-FDDCHVKYSA-N 376.408 4.354 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H]1O[C@@H]1c1ccccc1)[C@@H](C2)C3=O 587447715 DHIGNZBVYMVYHN-ZZQRAECTSA-N 384.431 4.478 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1O[C@H]1c1ccccc1)[C@@H](C2)C3=O 587452132 DHIGNZBVYMVYHN-KMAVCZJNSA-N 384.431 4.478 0 1 GIAF C[C@H](O)[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543968 CTKVJLHQYSKMTD-VCHGGQOGSA-N 396.826 4.284 0 1 GIAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587590241 BEZRPTADNIJEGV-SIKLNZKXSA-N 390.391 4.190 0 1 GIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1ccc(Br)cc1 587648659 DBGUHFOJWOSTRL-UHFFFAOYSA-N 378.291 4.233 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(=O)c2cc(F)ccc2F)N1 587719343 PSOPLRAFBJZVRZ-ZKANADHPSA-N 384.195 4.325 0 1 GIAF COc1cc(F)c2c(c1)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587737467 FMOZJTQXOGVTKX-DGIBIBHMSA-N 394.259 4.460 0 1 GIAF CC(C)Oc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587769542 GOYUOFPVZCNUTD-BBATYDOGSA-N 379.273 4.394 0 1 GIAF COC[C@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587794554 OWABBBSKZHCRBW-YJYMSZOUSA-N 378.285 4.207 0 1 GIAF COc1ccc(OC)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587809241 RYLVPESLPZGJCQ-XTZNXHDOSA-N 380.257 4.229 0 1 GIAF COc1cccc(OC)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809294 SJHRGRAUXYAJEK-WLRWDXFRSA-N 394.284 4.403 0 1 GIAF Cc1cc(C(=O)O)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587829835 YHPWJYDVLTXCGE-BMLIUANNSA-N 378.241 4.218 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)OCO3)N1 587833396 GGMFTOOAKWKMNG-XTZNXHDOSA-N 378.241 4.115 0 1 GIAF COc1ccc2c(c1)OC=C[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587840081 IBRVOGDFYNJVTD-WYRIXSBYSA-N 390.252 4.281 0 1 GIAF COC(=O)c1sccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587843687 JNIJNYVIFZRBKH-RMLUDKJBSA-N 384.270 4.060 0 1 GIAF CCOc1ccc(OCC)n1-c1cc(Br)cnc1Br 587940409 ORVHMPILTWIQIN-UHFFFAOYSA-N 390.075 4.195 0 1 GIAF C[C@@]1(c2cccc(N3Cc4ccccc4C3=N)c2)NCCc2c(C(=O)O)cccc21 963119345 DKELJXGGKMLAEB-VWLOTQADSA-N 397.478 4.140 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@]21CC(C)(C)CC(=O)[C@@H]1CCC(C)=O 963258558 OEPUDRXCIDUJHZ-BTYIYWSLSA-N 377.912 4.064 0 1 GIAF COc1cc(C)cc(OC)c1[C@H]1c2cccc(Br)c2CCN1C 963278999 DPKYNAXFAKAFRF-LJQANCHMSA-N 376.294 4.352 0 1 GIAF COc1cc(CC[C@]2(OC(C)=O)CC[C@@H](C3CCCCC3)[C@@H](O)C2)ccc1O 2356773224 UAQWMSYZLIXKJA-RRPUWOKSSA-N 390.520 4.377 0 1 GIAF c1ccc2oc(-c3n[nH]cc3CN(Cc3ccncc3)C[C@@H]3CCCO3)cc2c1 15961700 BZVXQOIRFMRRBC-FQEVSTJZSA-N 388.471 4.399 0 3 GIAF CCC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1ccc(F)cc1c2=O 61921267 GCSVFVZWRVYLKQ-IBGZPJMESA-N 387.414 4.263 0 3 GIAF COc1ccc(-c2noc(-c3ccccc3OC)c2C(=O)NCC(C)C)cc1 774488 VJVAOHMLTHCSDK-UHFFFAOYSA-N 380.444 4.412 0 1 GIAF CCCC[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)Cc2ccccc2O1 12126475 DIWRPLOLUJXKBP-QGZVFWFLSA-N 377.440 4.387 0 1 GIAF CCOC1=C(C(=O)O)[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC(C)C)cc21 13473434 JUKZVYAZPQISFD-FQEVSTJZSA-N 398.411 4.168 0 1 GIAF CCN(CCNc1ncnc2onc(-c3ccc(F)cc3)c12)Cc1ccccc1 20574522 TYTQGZQTUORZMZ-UHFFFAOYSA-N 391.450 4.358 0 1 GIAF O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC(CO)CC1 28826710 SEUFQIJDZTWDLJ-UHFFFAOYSA-N 396.365 4.096 0 1 GIAF CN(C)c1cc2c(Nc3ccc4nc(Cc5ccccc5)[nH]c4c3)ncnc2cn1 45194847 RCDUEGIHNAMABT-UHFFFAOYSA-N 395.470 4.302 0 1 GIAF Cc1c(CC(=O)O)c2ccccc2n1C1CCN(CCc2ccccc2)CC1 45298965 DQZRMPUTVVQKAA-UHFFFAOYSA-N 376.500 4.456 0 1 GIAF CCCCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1 49073344 CUIDPGHBGSODLI-UHFFFAOYSA-N 386.561 4.351 0 1 GIAF O=C(N[C@H](c1cccc(Cl)c1)C1CCNCC1)c1ccc2cnccc2c1 72179883 OCQHKPAKNNORHZ-NRFANRHFSA-N 379.891 4.359 0 1 GIAF CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2)c(-c2ccc(F)cc2)n1 82141205 ZIPQUYVIUXDEHL-HNNXBMFYSA-N 378.451 4.423 0 1 GIAF CC(C)CCO[C@H]1C[C@@H]2CN(c3ccc(OCC(F)(F)F)cc3)C(=O)N2C1 96168555 FMBFDQZIUNKYPJ-WBVHZDCISA-N 386.414 4.073 0 1 GIAF C[C@]1(c2cc(Br)cc(CC(=O)c3ccco3)c2)CCSC(N)=N1 96174335 BWEIELYWUOOUAY-QGZVFWFLSA-N 393.306 4.134 0 1 GIAF O=C1CC(c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)=Nc2cn[nH]c2N1 102899357 DHTMZLALTZFPTA-UHFFFAOYSA-N 394.822 4.170 0 1 GIAF CC(C)[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2 142417538 XDNPLXGWIRNQMB-GOSISDBHSA-N 396.270 4.442 0 1 GIAF COC(=O)C1(c2ccccc2)CCN(C(=O)OC2C3CC4CC(C3)CC2C4)CC1 147473520 KFKXZWXRJWUCIZ-UHFFFAOYSA-N 397.515 4.155 0 1 GIAF Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)c(C)c1 253687982 MPBCEXSZGSLMSZ-LMTLIKQPSA-N 387.476 4.443 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4C[C@H](OC(C)=O)C(=O)[C@@]4(C)CC[C@H]32)C1 255282882 YALOOLVBDYZGLY-RHOYHYFJSA-N 390.520 4.072 0 1 GIAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 299848080 PCUQHNTZXLPGNX-LJCDUQBNSA-N 381.564 4.433 0 1 GIAF O=C1O/C(=C/c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c2ccccc21 586907307 VTDNOIZHXTZGQX-WUXMJOGZSA-N 381.260 4.281 0 1 GIAF COC(=O)c1cc2[nH]c([C@@H](C)CC(=O)c3ccc(Cl)cc3)nc2cc1OC 587070706 VAQOJRSPBMXOGV-NSHDSACASA-N 386.835 4.388 0 1 GIAF COc1cc2nc([C@@H]3CN(C(=O)OC(C)(C)C)CC3(F)F)[nH]c2cc1Cl 587133097 WYLKZFVWZLNTFA-VIFPVBQESA-N 387.814 4.195 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(C)nccc4[nH]3)cc2F)c1 587144103 PKNFPUVFHXEXGF-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF COc1cc(F)ccc1-c1cccc(Cc2nc3cccc(C(N)=O)c3[nH]2)c1 587159166 KZWWPHCUWVFNEL-UHFFFAOYSA-N 375.403 4.067 0 1 GIAF N=c1ncc(-c2cccc(-c3nc4ccc(Br)c(F)c4[nH]3)c2)c[nH]1 587254936 SWHMZNNKPANPQR-UHFFFAOYSA-N 384.212 4.001 0 1 GIAF CCCn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587339005 DCBBMZDWNKXFDW-IFMALSPDSA-N 380.419 4.412 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4N[C@@H]1c1ccccc1)[C@@H](C2)C3=O 587440727 QCYARLARYOYWMM-XYURVEJXSA-N 397.430 4.231 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(OC)ccc1O)[C@@H](C2)C3=O 587443386 QBJTWRFARMTMPQ-YADARESESA-N 388.419 4.101 0 1 GIAF O=C1C[C@@H](C2(CN3CCOCC3)CCCCC2)Oc2c1ccc1c2CCCC1 587518325 FOWBDBADJULFQE-QFIPXVFZSA-N 383.532 4.182 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c(F)ccc(F)c12 587568316 HMXIHAUEFJJEST-UGKGYDQZSA-N 380.346 4.474 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)cc(F)c12 587571657 RNCNRJJOHKIQAP-UGKGYDQZSA-N 380.346 4.474 0 1 GIAF Cn1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc2ccccc21 587574066 AJMHUZMYGIENTI-CVDCTZTESA-N 386.407 4.156 0 1 GIAF CCOC(=O)C[C@]1(CCC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593457 DMFBQYKVDRFLBY-OFNKIYASSA-N 398.455 4.482 0 1 GIAF COCCOc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587597212 QCMBMJYZQQXBPS-NZQKXSOJSA-N 392.407 4.120 0 1 GIAF COc1cccc2c1OCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611444 RLIFBSAGMFNTMB-XXBNENTESA-N 390.391 4.040 0 1 GIAF CCc1c(CNC(=O)OC(C)(C)C)[nH]c2c1c(Br)cc1n[nH]cc12 587622906 JLFSGRFLVYXZRE-UHFFFAOYSA-N 393.285 4.394 0 1 GIAF COc1ccc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587693123 CXNBFRGQLAUMCB-ANRSDYALSA-N 385.664 4.269 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3cc(F)ccc32)N1 587733750 OJYBAJXWLPXIFU-YPMLDQLKSA-N 378.216 4.411 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3cn(C)nc23)N1 587756858 FXXNNELPKSPPKI-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C[C@@H]2CCCO2)N1 587758378 XAAUMXXCJTYNPC-UHYGZKCKSA-N 393.300 4.192 0 1 GIAF COc1ccc(COC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587800702 HOSHWZHSQCPFOU-PXAZEXFGSA-N 394.284 4.389 0 1 GIAF COC(=O)[C@H]1CC[C@H]([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587805180 HCIIHDDHLBZICY-VFFPBDHRSA-N 384.289 4.143 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccccc3c2=O)N1 587839208 DTRJMGKNOSRRJL-MGNBDDOMSA-N 388.236 4.318 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3oc(=O)ccc3c2)N1 587840610 ZZMLCBUNCQMONA-APBUJDDRSA-N 388.236 4.318 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3oc(=O)ccc3c2)N1 587840613 ZZMLCBUNCQMONA-OVWNDWIMSA-N 388.236 4.318 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccccc3c2=O)N1 587844304 XDMUPPDWCGBSNB-MGNBDDOMSA-N 388.236 4.318 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(CC(=O)O)cs2)N1 587847440 KMQMAVCPTKFWCB-XYZCENFISA-N 398.297 4.075 0 1 GIAF Cc1ccc(CN2CCC(CC(=O)NCCc3c[nH]c4ccccc34)CC2)cc1 653863996 AIGIECZGNBILAQ-UHFFFAOYSA-N 389.543 4.437 0 1 GIAF Clc1cc(Cl)cc(CN[C@@H]2CCN(c3nc4ccc(Cl)nc4[nH]3)C2)c1 1772587089 LGTHUNKDXBPWQG-CYBMUJFWSA-N 396.709 4.287 0 1 GIAF O=c1c(Cc2ccccc2)c[nH]c2c(-c3cccc(Br)c3)cnn12 1772607970 VXKUWDCISAWIOH-UHFFFAOYSA-N 380.245 4.043 0 1 GIAF Cc1csc(-c2cnc(N)c(NCc3ccnc(NC(=O)C4CC4)c3)c2)c1 1857568990 KCEWNZAXDGVDBQ-UHFFFAOYSA-N 379.489 4.056 0 1 GIAF COc1cc(OC)cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)c1 1911574650 MAOJHADEQAXYLF-UHFFFAOYSA-N 389.499 4.151 0 1 GIAF CC(=O)OCC(=CC(=O)O)CC[C@@H]1C(CO)=CC[C@@H]2C(C)(C)CCC[C@]12C 2356615975 OEWYXUOBTOXNMX-WOIUINJBSA-N 378.509 4.112 0 1 GIAF CC=CC(=O)N(CCCC)[C@H](C(=O)NC1CCCCC1)c1ccc(OC)cc1 2356849763 PXRRRNPVRLIYLM-QFIPXVFZSA-N 386.536 4.390 0 1 GIAF CCCCc1nc(C)cc(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13744570 XJPWUXVDSGSADI-UHFFFAOYSA-N 376.456 4.308 0 1 GIAF CCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21 14974487 LQLZLKSOIZFQRN-UHFFFAOYSA-N 376.898 4.233 0 1 GIAF COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@H](c1cccc(F)c1)O2 26179380 VYJSUSIGTRGXQC-NRFANRHFSA-N 399.443 4.355 0 1 GIAF COc1ccccc1N1CCN(Cc2cccn2-c2cccc(C)c2C)CC1 28126062 QFZNHPGEFDIBSS-UHFFFAOYSA-N 375.516 4.425 0 1 GIAF COc1ccc(-c2nc([S@](=O)CSC)[nH]c2-c2ccc(OC)cc2)cc1 28219546 GOJZJBQGEIQCIL-SANMLTNESA-N 388.514 4.189 0 1 GIAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cccc(-c2ccccc2)c1 29038771 YUIOPWUQMKXINJ-UHFFFAOYSA-N 388.539 4.254 0 1 GIAF C[C@@H](CNC(=O)c1ccc(OC(F)(F)F)cc1)c1c[nH]c2ccc(O)cc12 29040679 AUYHTGSUOKGCJD-NSHDSACASA-N 378.350 4.306 0 1 GIAF CS(=O)(=O)Nc1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1 40505758 VNHHTKOLKMEMDC-UHFFFAOYSA-N 378.453 4.339 0 1 GIAF C[C@@H]([C@@H](C)O)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 103303278 MAUKISZQMSQDOJ-JKSUJKDBSA-N 393.453 4.472 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@H]4[C@@H]3CC[C@H]12 141549187 RIGMJQYSJWLGJZ-NOBFDZGFSA-N 386.580 4.157 0 1 GIAF Cc1ccccc1C(=O)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1 144184285 FXAFJEHHSKRVGI-UHFFFAOYSA-N 387.487 4.007 0 1 GIAF CN(C)C(=O)CCCCOc1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144791886 ZLILNVVTVADWCX-HXUWFJFHSA-N 393.405 4.103 0 1 GIAF COc1ccc2c(c1)CN(C(=O)Nc1ccc(C(=O)NCCC(C)C)cc1)C2 167310346 JQZOFBYIXFWUHB-UHFFFAOYSA-N 381.476 4.019 0 1 GIAF CC(C)CCC[C@@]1(C)CCc2cc(S(N)(=O)=O)cc(Br)c2O1 220722857 YACZRABAKIZYHW-INIZCTEOSA-N 390.343 4.007 0 1 GIAF Nc1cnc(-c2ccc(-c3ccccc3Sc3cncc(N)n3)cc2F)cn1 224807759 QZZUSEWAVZWIDW-UHFFFAOYSA-N 390.447 4.055 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 586935065 GDRJOHZYEKEKSI-VIFPVBQESA-N 399.303 4.009 0 1 GIAF COc1cc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cn1 586959725 LPUTUQMZXBBFGV-MHZLTWQESA-N 377.469 4.005 0 1 GIAF CCCn1cnc2cc(-c3nc4ccc(CCO)cc4[nH]3)cc(Br)c21 587003267 HWIFTDGWLOWMBF-UHFFFAOYSA-N 399.292 4.287 0 1 GIAF Nc1ccc(-c2ccc3nc(C[C@@H]4OCCc5ccsc54)[nH]c3c2)cc1N 587035856 UWXNBXAHPRFCME-IBGZPJMESA-N 376.485 4.312 0 1 GIAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc3c(cc2[nH]1)OCCO3 587076773 NRAFXRKCHCVFHE-UHFFFAOYSA-N 379.803 4.422 0 1 GIAF CSc1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2c1 587144522 NUFZEHDGJDXJFY-ZDUSSCGKSA-N 380.286 4.429 0 1 GIAF O=C(O)c1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587163221 MMQZEGAFMLADJR-UHFFFAOYSA-N 375.359 4.320 0 1 GIAF CCOC(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587224865 IBBPTSOPOSNEGH-QGZVFWFLSA-N 387.480 4.496 0 1 GIAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc3c(c2[nH]1)CCCC3 587259363 FMBZNEVLFPXABY-IBGZPJMESA-N 392.503 4.148 0 1 GIAF Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)C(=O)N2 587349380 PSLHTDFWNCCELN-NZQKXSOJSA-N 389.382 4.046 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)c3cccc(C)c3)CC1)CC2=O 587474274 DQKARYSUTWSQBW-UHFFFAOYSA-N 393.483 4.293 0 1 GIAF O=C1C[C@@]2(C[C@@H](C(=O)O)Oc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587497506 BERABMDJKOVLQL-UGKGYDQZSA-N 398.842 4.315 0 1 GIAF CCn1cc([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1 587515688 OIDFQGDFWMVUIA-MDRMPYQZSA-N 379.504 4.026 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc(Br)c1 587550013 YWFQQVGPIFRJNY-LPHOPBHVSA-N 398.212 4.253 0 1 GIAF C[C@]1(c2cc(F)c(N)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558732 TWTIGYRRLVRASP-LAUBAEHRSA-N 383.350 4.130 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cncc(F)c1)C1CC1 587571613 QVUMFAYNRDGBHD-UGKGYDQZSA-N 377.371 4.193 0 1 GIAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1nccnc1C1CCC1 587657412 WDZUJXOONVGHLE-UHFFFAOYSA-N 390.393 4.388 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)C(F)(F)F)(C2CC2)N1 587704735 JSGNJMBOOAPALC-GLEZIHRCSA-N 394.206 4.249 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccn(C)c2)(C(F)(F)F)N1 587708288 ARDPKOQVCUJULI-RFAUZJTJSA-N 391.206 4.267 0 1 GIAF CCCCc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587776521 XRAXOHAOENAKTP-BBATYDOGSA-N 378.289 4.344 0 1 GIAF COCCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587791338 HMWPKTXZHQVLSO-BUXKBTBVSA-N 394.284 4.237 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)[nH]c3ccccc23)N1 587804101 RBTDKYOFLMNDOY-VVVCHXIZSA-N 375.241 4.399 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)OCO3)N1 587833398 GGMFTOOAKWKMNG-YPMLDQLKSA-N 378.241 4.115 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnn(CC)c1 587860399 SWOLWTCYRXKMPD-UHFFFAOYSA-N 379.247 4.161 0 1 GIAF NC(=O)c1ccc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)cc1 653681055 WUXAWJVXCIQCOX-UHFFFAOYSA-N 398.344 4.061 0 1 GIAF Cc1ccc(COc2cccc([C@@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)c2)cc1 962909475 MUQIOUQHESMGAY-GMAHTHKFSA-N 391.442 4.401 0 1 GIAF CCOC(=O)N[C@H](c1ccccc1)[C@@H]1CCCC[C@]12NCCc1c(C)ccnc12 963077992 VVFDEGWTNSYWKX-IMSXRSKXSA-N 393.531 4.409 0 1 GIAF C=C1OC(=O)C=C1Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 1772597376 HCJHPFZFBFVKCS-UHFFFAOYSA-N 387.357 4.426 0 1 GIAF COC(=O)CCCCCCC[C@H](O)[C@H](CCCCCCCC(=O)OC)OC 2356499365 BJCDRXBSMHOVFY-OALUTQOASA-N 388.545 4.170 0 1 GIAF COc1cc2c(cc1OC)-c1c(oc3c4c(ccc3c1=O)O[C@@H](C(C)C)C4)CO2 3197575 BHCBWJBSVOKHRJ-MRXNPFEDSA-N 394.423 4.329 0 3 GIAF biogenic,in-vitro COc1ccc(C2c3c(c(C)c(C)oc3=O)Oc3c(C)c(C)oc(=O)c32)cc1 36389243 XKSHGQSCRBQNOU-UHFFFAOYSA-N 380.396 4.121 0 3 GIAF CCOC(=O)CNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl 13438054 PJIFNHKMESUGJK-UHFFFAOYSA-N 381.259 4.338 0 1 GIAF CC(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@@H]4CCCN4)c3c2)cc1 28520793 KTTVLQCVCOFIAK-SFHVURJKSA-N 397.544 4.387 0 1 GIAF CCc1c(C)nc(O)c(NC(=O)CCCC(=O)O)c1Cc1cc(C)cc(C)c1 29565493 JTASUSQLUYKDJA-UHFFFAOYSA-N 384.476 4.059 0 1 GIAF C[C@H]1C=C(CCCCCCCCCCCC[C@@H]2C(=O)O[C@@H](C)[C@@H]2O)C(=O)O1 40828835 OUGUBSKRYFRNBT-ZULIPRJHSA-N 380.525 4.462 0 1 GIAF Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccccc3Br)C2)cc1C 53298704 VGQBMUAWNKHSJS-QGZVFWFLSA-N 388.334 4.461 0 1 GIAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 73197736 HIHURPGPOJOQQJ-UHFFFAOYSA-N 387.789 4.439 0 1 GIAF CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccco3)n2)CC1 82141893 UYPZDPPWVGKXJE-FUHWJXTLSA-N 382.508 4.281 0 1 GIAF CN1CCC[C@@H]1CCn1c(C2CCCCC2)nc2c(NCC3CC3)ncnc21 82181353 BXCKEAHIGPCKCO-GOSISDBHSA-N 382.556 4.180 0 1 GIAF COc1ccc(-c2ccc(-c3cc(=O)cc(N4CCOCC4)s3)cc2)cc1 101077853 HDZPYWYVGWFGAW-UHFFFAOYSA-N 379.481 4.288 0 1 GIAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(\O)OC(C)C)[C@@H]2c1ccncc1 102845603 ZZUGKSTUCOIEGU-RVAQLADHSA-N 386.477 4.122 0 1 GIAF Cc1c[nH]c2ncc(-c3cc([C@@H]4CCN(C)C(=O)C4)n(C4CC(F)(F)C4)n3)cc12 146495369 NHHVQYGJZSGNMT-CYBMUJFWSA-N 399.445 4.041 0 1 GIAF CC(=O)[C@@H](C/C=C\CCCC(=O)O)CCC[C@H](O)COc1ccc(F)cc1 169316988 OJECGQVOPDFZFI-SZMFABQDSA-N 380.456 4.142 0 1 GIAF CC[C@@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@@H]1c1ccccn1 169343406 PLEATYFGVZEHES-LKFCYVNXSA-N 380.227 4.206 0 1 GIAF O=N[C@H]1CCc2cc(-c3cn(CC4CCNCC4)nc3-c3ccncc3)ccc21 169686135 XGNQOONJLJPCDZ-QFIPXVFZSA-N 387.487 4.365 0 1 GIAF O=C(O)C[C@H](NC(=O)c1cccc(-c2ccccc2Cl)n1)c1ccc(F)cc1 203338076 FFFCCGONLSETOJ-IBGZPJMESA-N 398.821 4.487 0 1 GIAF CCCCOC(=O)Cc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990257 XINCGZKZLQFYEK-UHFFFAOYSA-N 375.424 4.346 0 1 GIAF Nc1cc2c(cc1-c1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)OCCO2 587105049 MCPADVUEDSGXCR-UHFFFAOYSA-N 380.403 4.467 0 1 GIAF FC(F)c1c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cnc2ncnn12 587129375 XHEKJFSVFLUFLV-UHFFFAOYSA-N 392.369 4.184 0 1 GIAF CC(C)(C)Oc1cc(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(N)cc1F 587136793 WABRHCJFBNWSKE-UHFFFAOYSA-N 383.402 4.453 0 1 GIAF CC[C@@H](c1nc2cc(C)c(C)cc2[nH]1)n1cc(I)c(C)n1 587184942 NNGDTERUULNLDY-HNNXBMFYSA-N 394.260 4.289 0 1 GIAF COc1ccc(-c2ncc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)cc1 587453111 PUOXDLOZRDBGEU-FOIQADDNSA-N 379.437 4.316 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C(=O)OCC)(c1cccc(Cl)c1)CC2=O 587463200 SQCOMTANZYFVLB-NRFANRHFSA-N 388.847 4.422 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(N3CCOCC3)c1)CC2=O 587475903 QSPNYWSBZRAQQM-HSZRJFAPSA-N 381.472 4.062 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ccc(C(=O)OC)cc13)CC2=O 587482846 KTXAFTFOUPOMOE-FQEVSTJZSA-N 379.412 4.319 0 1 GIAF Cc1cc(C(=O)[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587720124 RFCVTXZOTFIMEC-DYZYQPBXSA-N 380.232 4.494 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cccc(N)c32)N1 587744091 GGKUOPNQNNJOTB-JEOXALJRSA-N 375.285 4.285 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3cccc(N)c32)N1 587748181 VPOJENWOJOLTTF-NSPYISDASA-N 375.285 4.285 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3nn(C)cc23)N1 587757697 HNMKSLZLODFKOL-NSPYISDASA-N 388.284 4.273 0 1 GIAF CCOC(=O)C[C@]1(C2(C)CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587799947 VFNADLLRWLJBJS-ZMZPIMSZSA-N 384.289 4.071 0 1 GIAF CCOC(=O)[C@@]1(C2CCCCC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587800416 WXLAQFFUEBEKBN-BLVKFPJESA-N 398.316 4.461 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(CCC(=O)O)c2)N1 587827263 KDFOHNZEBJHVAR-NSPYISDASA-N 392.268 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C[C@H](C(=O)O)C2(C)C)N1 587831229 WNZBXFSZVLHJRV-ZNUCPNQYSA-N 384.289 4.085 0 1 GIAF CC(C)(C)OC(=O)N1CCC[C@@H](Oc2cccnc2-c2ccc(C(=O)O)cc2)C1 957692792 GKGMJTMJIYNIMO-QGZVFWFLSA-N 398.459 4.225 0 1 GIAF COc1ccc2c(c1OC)[C@](C)(C[C@H](C)NC(=O)OC(C)(C)C)N(C)[C@@H](C)C2 962632516 RSARVKIQNGJXPH-DFFLPILJSA-N 392.540 4.099 0 1 GIAF CCOC(=O)[C@H]1CC(C)(C)C[C@@]12c1ccsc1CCN2Cc1cccnc1 962997180 KOTWBKXUYWHADV-XMSQKQJNSA-N 384.545 4.396 0 1 GIAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1c(-c2ccccc2)nn2cc[nH]c(=O)c12 963244591 WQWUQSCOBZUXIL-UZUQRXQVSA-N 398.510 4.436 0 1 GIAF CC(=O)[C@@H]1CCc2ccccc2[C@]12c1cccc(Br)c1CCN2C 963289436 NACVHEQNUQEXQF-UWJYYQICSA-N 384.317 4.332 0 1 GIAF COc1cc(-c2ccccc2)ccc1[C@@H]1N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963491411 NLEDZMYZAOJWRZ-REWPJTCUSA-N 389.451 4.065 0 1 GIAF CCC(=O)Nc1cc(OC)c(NC(=S)Nc2ccccc2CC)cc1OC 1324297 WHRXFAFXBJUANJ-UHFFFAOYSA-N 387.505 4.424 0 3 GIAF N[C@@H](CCc1ccccc1)c1csc(NC(=O)NCCc2ccccc2)n1 61926134 XNBUIOFYNZRMFJ-SFHVURJKSA-N 380.517 4.140 0 3 GIAF CC[C@@H](C(=O)NCc1ccc(C)cc1)N1C(=O)COc2ccc(C(C)(C)C)cc21 2953484 SCKOXUGGRSIFEN-IBGZPJMESA-N 394.515 4.113 0 1 GIAF Cc1cc(C)c(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c(C)c1 3815539 SMLFOSIGUQORAV-UHFFFAOYSA-N 378.480 4.119 0 1 GIAF COc1ccc(CN[C@H]2C3CCN(CC3)[C@H]2c2cccc(Cl)c2)c(OC)c1 22939054 QECBUZHWFDACDA-VXKWHMMOSA-N 386.923 4.282 0 1 GIAF CCCCN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 28121982 PCAKJQCXBSJSFZ-UHFFFAOYSA-N 375.900 4.122 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc([C@@H](C)N3CCCC3)cc1)C2 28344340 NHEKQZLGKSZIOS-QRQCRPRQSA-N 381.472 4.047 0 1 GIAF CCOC(=O)C1=C(C)NC(c2cccc(Cl)c2)=C(C(=O)OCC)[C@H]1CC 40938223 PMHMDUIXZHKSAC-HNNXBMFYSA-N 377.868 4.081 0 1 GIAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccccc1F 82150690 KOIAUGNTVOQHCH-KUHUBIRLSA-N 382.483 4.413 0 1 GIAF CC(C)CN(C)c1ncc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c(-c2ccccc2F)n1 82151978 FTBIOGOSVSPKGE-IRXDYDNUSA-N 398.526 4.493 0 1 GIAF O=S(=O)(C[C@@H]1CS1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 84725830 RMRUTHBBMQENKJ-AWEZNQCLSA-N 390.404 4.267 0 1 GIAF CCN1CCN(Cc2ccc3c(c2)[C@H]2N=NC(c4cccc(OC)c4)=C2C3)CC1 87612892 LFYZXUHXVPNYLH-XMMPIXPASA-N 388.515 4.307 0 1 GIAF COc1ccccc1CNC(=O)CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 102181482 PAXFCBOZBQFQAD-XSYNCLLFSA-N 392.337 4.435 0 1 GIAF Cc1ccc(S(=O)(=O)Oc2ccc3c4c(c(=O)oc3c2)CCCCC4)cc1 103229999 BKGNSHSNDFIPBN-UHFFFAOYSA-N 384.453 4.138 0 1 GIAF Cc1ccc(C(=O)Nc2nc(Cl)c3cn(CCc4ccccc4)nc3n2)cc1 103263552 RXHSAYJYEIARQG-UHFFFAOYSA-N 391.862 4.283 0 1 GIAF COC(=O)c1c[nH]n2c(NC3CCCCCC3)c(-c3cccc(OC)c3)nc12 136566710 QAVGNJYQCZOTCM-UHFFFAOYSA-N 382.464 4.259 0 1 GIAF Cc1nc(C(C)(C)NC(=O)c2cnc(C3CC3)c(-c3cccc(Cl)c3)n2)no1 207339182 QKWXLRHZRSYQNL-UHFFFAOYSA-N 397.866 4.031 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C[C@H](O)[C@@H]2c1ccc(=O)oc1 238734601 LOQBMALJVSKCDP-FCHKYUPPSA-N 386.532 4.098 0 1 GIAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H]3CCOC3)[nH]c12 586912460 SLGCHPOPWGVGBD-JTQLQIEISA-N 393.340 4.477 0 1 GIAF CCS(=O)(=O)c1cccc(Cc2nc3cc(C)cc(Br)c3[nH]2)c1 586921564 CWOMWHHERVYMAC-UHFFFAOYSA-N 393.306 4.018 0 1 GIAF CS(=O)(=O)c1cccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 586925562 HFKDRKLBQHMNQB-UHFFFAOYSA-N 378.453 4.212 0 1 GIAF Cc1cc(Br)ccc1OCc1nc2cc3c(cc2[nH]1)OCCCO3 586981201 MDLLVPMDWCNURN-UHFFFAOYSA-N 389.249 4.374 0 1 GIAF CCOC(=O)Cc1nc2ccc(O)c3c2c(c1CC(C)C)-c1ccccc1C3=O 586989769 QIUUNZHSAUJKNM-UHFFFAOYSA-N 389.451 4.456 0 1 GIAF CCc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 587118922 RSVHZTDYKOVLTG-UHFFFAOYSA-N 387.203 4.346 0 1 GIAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cnncc2[nH]1 587122244 UPXVUCMQWCQAPG-UHFFFAOYSA-N 377.351 4.350 0 1 GIAF C[C@@]1(c2ncc(F)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332079 ILQDSGKEXMFQQO-WIYYLYMNSA-N 385.341 4.479 0 1 GIAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1N 587337364 OZWHDGCYSINQEU-JTHBVZDNSA-N 393.414 4.396 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(-c3ccccc3)cn2)N1 587751851 BDVFKQXVPGQYFZ-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3cn(C)nc3c2)N1 587759744 MOXUBZQWEXDQJO-NSPYISDASA-N 388.284 4.273 0 1 GIAF CC(C)n1ncc2c1CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587761430 UGJBOHNQGCFZTO-HXPMCKFVSA-N 392.316 4.480 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCN(C)c3ccccc32)N1 587767776 KTEPGBYMDDKOFT-BLVKFPJESA-N 375.285 4.206 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(O)c3ccccc23)N1 587775683 TYQSXZOFUJAPML-XTZNXHDOSA-N 387.252 4.466 0 1 GIAF COC(=O)c1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587827814 LEFRXIDEMDQJPP-NIVTXAMTSA-N 396.256 4.074 0 1 GIAF COc1cccc(Cl)c1[C@@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962764312 LMHNACOQDBZDOZ-KDOFPFPSSA-N 383.797 4.258 0 1 GIAF Cc1cc(-c2cnn(C)c2)cc([C@H]2CCN(C(=O)c3cnc(C(C)C)s3)C2)n1 1772578064 XAGDCRJELBWUMZ-HNNXBMFYSA-N 395.532 4.000 0 1 GIAF Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)n3c2CCOCC3)ccn1 1772606955 LIJKZPHSQPFWBX-UHFFFAOYSA-N 389.377 4.392 0 1 GIAF CCCN(C)c1ncc2scc(C(=O)Nc3cc(Cl)ccc3OC)c2n1 1772619393 HITOAAUKITYUOH-UHFFFAOYSA-N 390.896 4.452 0 1 GIAF O=C1Cn2c(nc3ccccc32)-c2ccc(NC(=O)c3ccc(F)cc3)cc2N1 1857568212 YITCZTJSIAVXQL-UHFFFAOYSA-N 386.386 4.047 0 1 GIAF COc1ccccc1CNc1nc(NCc2cnc(C)cn2)c2sccc2n1 61903255 HGQZIARXTPJOMP-UHFFFAOYSA-N 392.488 4.023 0 3 GIAF CC[C@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 775152 QSWVDTBQNDWZOC-LRDDRELGSA-N 388.464 4.346 0 1 GIAF Cc1ccc(NS(=O)(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1N(C)C 6899515 REEONSWUSCWVFV-UHFFFAOYSA-N 383.517 4.222 0 1 GIAF O=C(Cc1ccccc1)NC1CCN(Cc2ccccc2C(F)(F)F)CC1 13470618 UQFICAINGRVRPU-UHFFFAOYSA-N 376.422 4.029 0 1 GIAF Cc1cc(C)c(NC(=O)c2ccc3nc(Nc4nccnn4)sc3c2)c(C)c1 13536519 NOZSYSDCEXNMKB-UHFFFAOYSA-N 390.472 4.402 0 1 GIAF Cc1nn(-c2ccc(Cl)cc2)c2c1c(N1CCN(C)CC1)nc1ccccc12 26744816 HFDSWAURVBBUOB-UHFFFAOYSA-N 391.906 4.287 0 1 GIAF COc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC3CCCCC3)n2)cc1 82192397 SMWPMQSBTUUJCR-IBGZPJMESA-N 385.533 4.236 0 1 GIAF Cc1cccc2cc([C@@H](C)Nc3ncnc4[nH]cnc34)n(C3CCCC3)c(=O)c12 88345852 WZCZROOJBMBWTN-CQSZACIVSA-N 388.475 4.264 0 1 GIAF O=c1[nH]ccc2cc(-c3ccccc3)nc(Nc3ccc(N4CCOCC4)cc3)c12 96174438 UNLNOESEDGPPCS-UHFFFAOYSA-N 398.466 4.170 0 1 GIAF C[S@](=O)c1ccc(-n2nc(-c3ccncc3)c(-c3ccc(F)cc3)c2O)cc1 100033045 NHKBJUGZERGSJU-MUUNZHRXSA-N 393.443 4.183 0 1 GIAF c1ccc2nc(N3CC(c4nccnc4-c4ccc5cc[nH]c5c4)C3)ncc2c1 140145414 DYZJBSDSHQCFFN-UHFFFAOYSA-N 378.439 4.172 0 1 GIAF O=C1CC[C@@H](/C=C/[C@@H](O)CCCCCC=C(Br)Br)O1 198354559 MZAQGPQBEPVOJJ-ADYIUWEDSA-N 396.119 4.191 0 1 GIAF N#Cc1ccccc1-c1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 219730069 AMSKEMVZDWBSOE-QHCPKHFHSA-N 384.479 4.023 0 1 GIAF COCCN1CCC[C@@H](c2cc3c(-c4cc(F)ccc4OC)ccnc3[nH]2)C1 226066542 SYQVFVMDZQBOEU-OAHLLOKOSA-N 383.467 4.203 0 1 GIAF CC[C@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)Nc3ccc(OC)cc3)cc2[nH]1 586890156 NKTIBXUTBOEVHP-OXJNMPFZSA-N 385.489 4.276 0 1 GIAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3ccccc3[nH]1)C(=O)OC2 586916354 XTMQGGXQWPZPBZ-JYRVWZFOSA-N 392.455 4.378 0 1 GIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 586962235 WAVROYHZZJKBML-UAOJZALGSA-N 399.491 4.397 0 1 GIAF Cc1ncc(-c2nc3cc(Br)cnc3[nH]2)c(C)c1Br 586979191 SFTRGKAOJYKPOR-UHFFFAOYSA-N 382.059 4.162 0 1 GIAF N[C@@H](Cc1nc2c(Br)cnc(Cl)c2[nH]1)c1ccccc1Cl 587057563 PPFZGSAMEDPDCU-JTQLQIEISA-N 386.080 4.270 0 1 GIAF CC(=O)N[C@H](Cc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(C)cc1 587207839 XJUUQHNFQLRBAR-OAHLLOKOSA-N 390.256 4.193 0 1 GIAF COc1cc2nc(Cc3ccc(NC(=O)c4cnoc4C)cc3)[nH]c2cc1Cl 587244858 NCFHMRVKHRHTQB-UHFFFAOYSA-N 396.834 4.364 0 1 GIAF Nc1ccc(C(=O)CCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 587251860 PQOOTERSLXZPTR-UHFFFAOYSA-N 380.192 4.001 0 1 GIAF O=C1c2ccc(O)cc2O[C@@](CO)(Cc2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587334911 MZHBIQPSMSUMCP-JTHBVZDNSA-N 396.389 4.003 0 1 GIAF CC[C@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347889 QLSFEVDRQISWQJ-DENIHFKCSA-N 395.386 4.222 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3ccccc3c1C(=O)O)CC2=O 587489682 NCFOJXFPRVXLJQ-HSZRJFAPSA-N 391.423 4.472 0 1 GIAF O=C1C[C@]2(CCOC[C@H]2OCc2ccccc2)Oc2c1ccc1c2CCCC1 587530180 BINWZZUXVDSGJT-VWNXMTODSA-N 378.468 4.275 0 1 GIAF COc1c(F)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587558752 UERAWKMPRSPVKN-FXAWDEMLSA-N 384.334 4.382 0 1 GIAF CCOC(=O)C[C@]1([C@@H](C)CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594777 IZHDXOAGAAEMEY-BPSNYSSFSA-N 384.428 4.092 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCN2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587596308 QSCSDQVVAPXYMX-NZQKXSOJSA-N 389.407 4.074 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CSCc1ccccc12 587619280 RFTCKUMUTWQWJG-UGKGYDQZSA-N 376.433 4.496 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)[nH]2)N1 587680315 IKGVMBXTECXHIY-NXSYQRQQSA-N 388.078 4.302 0 1 GIAF CC(C)[C@@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587702035 DGESJJWTKUSFGY-BJOHPYRUSA-N 396.222 4.495 0 1 GIAF COc1c(F)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587721646 PWYCIWRAWPUHHJ-VPTHRUTESA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cccn2)(C(C)(C)C)N1 587756342 DCDUWZPGSJQKCE-KZULUSFZSA-N 380.305 4.261 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC(C)(C)Cc3n[nH]cc32)N1 587799156 WRRAQDQGZGTBDM-XTZNXHDOSA-N 378.289 4.062 0 1 GIAF COc1ccc(O)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587805325 FXOUCBNNRDCBKW-MGNBDDOMSA-N 380.257 4.100 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc4c(c32)CCO4)N1 587836909 YRPRYBULWUTBMJ-BIBXISHDSA-N 388.280 4.247 0 1 GIAF COc1ccc([C@@H]2[C@@H]3C=CC=C[C@@H]3C(=O)N2c2ccc3nc[nH]c3c2)cc1OC 1772605819 AHLRAQVRFHDKHB-HYFFOGBASA-N 387.439 4.026 0 1 GIAF Cc1nc(Cc2cccc(C(F)(F)F)c2)sc1-c1ccc(C(N)=O)cn1 1772644545 JPHJFCJRGDMBFV-UHFFFAOYSA-N 377.391 4.222 0 1 GIAF Cc1cc(=O)oc2c(COC(=O)c3cccc(N(C)C)c3)c(OC(C)C)ccc12 1857564913 RZYRGTPISWQDEL-UHFFFAOYSA-N 395.455 4.312 0 1 GIAF Cc1cc(C)c2nc(O)c(CN(CCO)C(=O)Nc3ccc(F)cc3C)cc2c1 1911580523 OAURIASGLTZWRR-UHFFFAOYSA-N 397.450 4.031 0 1 GIAF C[C@@H](NC(=O)c1cc(COc2ccc3ncccc3c2)on1)c1ccc(F)cc1 13636750 WTZRWGVMBROIEU-CQSZACIVSA-N 391.402 4.432 0 3 GIAF CC[C@H](CO)Oc1cc(NC(=O)c2cccc(C)c2)c2ncn(C(C)C)c2c1 61949053 AJZMRXKYPPDCPD-QGZVFWFLSA-N 381.476 4.328 0 3 GIAF COc1cc(OC)cc(-c2cc3c(Nc4ccc(OC)nc4)nccc3n2C)c1 82081698 YSMNZJKGHDJEES-UHFFFAOYSA-N 390.443 4.405 0 3 GIAF CN(C(=O)COc1ccc(Cl)cc1Cl)[C@H]1CCCC[C@@H]1N1CCCC1 3795714 GVAQFHOUCNTJJI-IRXDYDNUSA-N 385.335 4.238 0 1 GIAF CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(C(F)(F)F)c23)N1CC(F)(F)F 3945835 FGMYUHULLBIYFO-MRVPVSSYSA-N 380.288 4.087 0 1 GIAF COc1cccc2c1c(Br)c(CNC(C)=O)n2Cc1ccccc1 13863810 NFGVKGDBPKKWGD-UHFFFAOYSA-N 387.277 4.097 0 1 GIAF CCCc1c(OCc2ccc(C(=O)O)cc2OC)ccc(C(C)=O)c1NC(C)=O 27899257 XRYRKFLSPJAQCZ-UHFFFAOYSA-N 399.443 4.086 0 1 GIAF COC(=O)CNC(=O)/C=C/C(C)(C)C/C=C(\C)CC/C=C(\C)Br 28878259 PKGYJBFBJKACDF-GBERKHHLSA-N 386.330 4.273 0 1 GIAF CCCCC(C)(C)[C@H](O)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 29128595 GNFGAVCXKPDIDD-QUJGQYFQSA-N 387.520 4.052 0 1 GIAF NC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)n1 29136286 RPRLFQHQONUUBM-UHFFFAOYSA-N 397.434 4.318 0 1 GIAF COc1ccc(CCN[C@]2(Cc3ccccc3)C[C@H](C)N(C)C[C@H]2C)cc1OC 33922063 GOTLBDMBTPMJPE-RNHFSVANSA-N 396.575 4.178 0 1 GIAF Cn1cc2c(NC(=O)Nc3cccc(Cl)c3)nc(-c3ccccc3)nc2n1 49088088 PPSJGFNRWXVHTB-UHFFFAOYSA-N 378.823 4.328 0 1 GIAF Cc1ncsc1CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1Cl 96282300 GMLBPJJJBSOOLH-AUWJEWJLSA-N 380.878 4.050 0 1 GIAF NCCCN(CCCCNCCCc1ccccc1)CCCc1ccccc1 100835668 CUBRXXDDNANGLI-UHFFFAOYSA-N 381.608 4.273 0 1 GIAF CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)no1 103257510 SCAQPCRSYNOLDB-UHFFFAOYSA-N 392.419 4.402 0 1 GIAF O=C(Nc1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)c(Cl)c1)c1ccccn1 169725133 XWFPWABBHYLIQP-TXEJJXNPSA-N 393.830 4.330 0 1 GIAF CC1=CCC[C@@]2(C)O[C@@H]2[C@H](O)[C@@H]2CC[C@@H](C)[C@](C)(CC1)[C@H]2COC(=O)N(C)C 253639265 WCXAWPWQNUEICF-OWDQBBGTSA-N 393.568 4.392 0 1 GIAF CO[C@H]1CC[C@H](Nc2cc(=O)n(C)c3c(C)cc(-c4cncs4)cc23)CC1 299851625 HJBLPDHCMRUFHW-WKILWMFISA-N 383.517 4.340 0 1 GIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587040555 NZWONIKRJHRDJI-LURJTMIESA-N 377.363 4.102 0 1 GIAF O=c1ccc(-c2nc3ccc(O)cc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587055796 MCCHGMNQTNSPHS-UHFFFAOYSA-N 386.238 4.452 0 1 GIAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Cl)c(Cl)nc2[nH]1 587065292 NGPHLPBXLQIVCT-UHFFFAOYSA-N 386.622 4.318 0 1 GIAF Fc1ccc(-c2cnn(Cc3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2)cc1 587165563 ZTIVWUKXIZYKJE-UHFFFAOYSA-N 396.735 4.028 0 1 GIAF CC(C)(C)OC(=O)N[C@]1(c2nc3cccc(F)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587240248 ROLNVBRCZUHLEX-SAZGQGMLSA-N 389.471 4.257 0 1 GIAF CCN(CC)Cc1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587385676 DTSGWPZOIXDGSS-QHCPKHFHSA-N 382.504 4.308 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCN3CCC[C@@H](C)C3)cc1)O2 587396196 QGWDFDOVEXYSPL-MWTRTKDXSA-N 394.515 4.394 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(F)ccc1N)[C@@H](C2)C3=O 587426203 ALUGTWGRMVAUJN-FDDCHVKYSA-N 375.399 4.108 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)c3nsnc13)CC2=O 587496695 SJYNQTZOGDVTJM-QGZVFWFLSA-N 383.473 4.122 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1[nH]ccc1Br 587540427 ORFRSRUGFXITNZ-KBXCAEBGSA-N 386.201 4.186 0 1 GIAF CCOCOc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587589844 AWMWILBJEVDHKP-REWPJTCUSA-N 392.407 4.468 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc([C@H]2CCCO2)s1 587616026 YOYFTQFPEOKOLH-SYNHAJSKSA-N 395.436 4.403 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Br)c[nH]2)N1 587679932 GBIXJMHZTCHGMP-NXSYQRQQSA-N 388.078 4.302 0 1 GIAF Cc1cccc2c1OCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587834223 KFPBQVQYCCKXFO-BLVKFPJESA-N 376.269 4.457 0 1 GIAF COc1ccc(-c2cc(O)n(-c3cccc(C4=NC(C)(C)CO4)c3)c2O)cc1 587936921 YZTZCRCVYVANLI-UHFFFAOYSA-N 378.428 4.120 0 1 GIAF Cc1cccc(N2CCN(Cc3cccnc3-c3cc(F)nc(F)c3)CC2)c1C 621476334 AJKGRYUOUNHOMZ-UHFFFAOYSA-N 394.469 4.361 0 1 GIAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@]3(Cc4cccc5cccc3c45)N12 962632596 GULVHQWAGFAUCH-CLJLJLNGSA-N 394.474 4.286 0 1 GIAF COc1cc(-c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1O 1250474944 BZJNILDXEOOVTE-UHFFFAOYSA-N 394.212 4.166 0 1 GIAF CC(C)(Cc1c[nH]c2ccccc12)N=c1nc(-c2ccncc2)[nH]c2cnccc12 1857547841 VXYPJGHKVFBNME-UHFFFAOYSA-N 394.482 4.423 0 1 GIAF Cc1cnn(C(=O)N2CCCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1 1857614507 DFUMVTLUTHCEJQ-UHFFFAOYSA-N 390.487 4.160 0 1 GIAF N[C@@H](Cc1cccc2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1 1857623675 WZSVRUCBLPTNFX-DEOSSOPVSA-N 394.478 4.309 0 1 GIAF COc1ccc(OC)c2c1C[C@@H]1c3cc(Cc4nccs4)sc3CCN1C2 1857642106 APIRBGVMKBJBSB-QGZVFWFLSA-N 398.553 4.468 0 1 GIAF CC1=C[C@H](CNC(=O)c2ccco2)[C@@H](C(C)C)C[C@H]1CC(=O)Nc1ccccn1 2356312664 CMDKPQRGARFWCS-IPMKNSEASA-N 395.503 4.288 0 1 GIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(C)=O)[C@H](C)[C@]12C 2356689794 ZBEIDAHTEHJVBJ-KQIGZVFLSA-N 388.460 4.319 0 1 GIAF CC(C)=CCCC(C)=CCC[C@@]1(C)Oc2c(c(O)cc3c2CNC3=O)C[C@@H]1O 2356754765 XGUHYRYUXUVLOK-NZQKXSOJSA-N 385.504 4.163 0 1 GIAF C[C@@H]1CCC[C@H](NC(=O)[C@H]2c3ccccc3C(=O)N2Cc2cccs2)[C@@H]1C 13144258 GBUAIQSYTFUVOO-XWYPRVOQSA-N 382.529 4.386 0 3 GIAF C[C@]1(C(=O)Nc2ccc3c(c2)OCO3)CCN1Cc1csc2ccccc12 61906972 XCZMLIDGUBNVNI-OAQYLSRUSA-N 380.469 4.233 0 3 GIAF CN(CCn1c(=N)sc2cc(OC(F)(F)F)ccc21)Cc1ccccc1 3805347 RRYNFQQOWCPDAR-UHFFFAOYSA-N 381.423 4.213 0 1 GIAF CC=Cc1ccc(O[C@H](C)[C@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2356440051 LNEPYGTUEWFPKT-SZNDQCEHSA-N 388.460 4.255 0 1 GIAF CC1CCN(C(=O)c2ccc3c(SCC(=O)O)c4c(nc3c2)CCCC4)CC1 6736938 AXLKDSAZRHHSNN-UHFFFAOYSA-N 398.528 4.162 0 1 GIAF CC1=C[C@H](CNC(=O)C2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 2356286808 QSRROSQHAWINLO-ZCNNSNEGSA-N 379.548 4.497 0 1 GIAF CCCc1nnc(C[C@@H]2C[C@H](C(C)C)[C@@H](CN3CCC(CO)CC3)C=C2C)o1 2356300272 DMVPGXOGNGSCGU-PWRODBHTSA-N 389.584 4.124 0 1 GIAF Cc1cc(C2=C[C@H](c3ccc(Cl)cc3)N(C(=O)c3ccncc3)N2)ccc1O 103197742 HFVZCBUOZYQAIU-HXUWFJFHSA-N 391.858 4.492 0 1 GIAF CCOC(=O)c1cc(-c2ccc(OC)cc2)c(C(=O)c2ccc(OC)cc2)[nH]1 29124246 IAMNNGKVIYMPPO-UHFFFAOYSA-N 379.412 4.107 0 1 GIAF Cc1ccc(C)c(C(=O)NCCCCN2CCN(c3cc(C)ccc3C)CC2)c1 64549276 MYGPMZFDKMFNEY-UHFFFAOYSA-N 393.575 4.252 0 1 GIAF COc1ccccc1-c1cc(-c2ccccc2)ccc1OCCN(C)CC(=O)O 28958345 IVAVUQGNAHXVRF-UHFFFAOYSA-N 391.467 4.424 0 1 GIAF Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@H]3CNCc2ccco2)n1 2356833983 KKRDVQJYAMFFAI-LNLFQRSKSA-N 394.544 4.074 0 1 GIAF Cc1ccc(-c2nnc(NC(=O)COc3ccc(F)c(Cl)c3)o2)cc1C 66129217 UZALPRNKHGBXPM-UHFFFAOYSA-N 375.787 4.163 0 1 GIAF O=C(O)c1ccc(Nc2ccc(C(=O)O)c3oc4c(C(=O)O)cccc4c23)cc1 38319146 IKFSAUAOAFSRLE-UHFFFAOYSA-N 391.335 4.424 0 1 GIAF COc1cc(N[C@H](C)CCCNC(=O)OCC(F)(F)F)c2ncccc2c1 73219152 IJVVBAWOHUKRPF-GFCCVEGCSA-N 385.386 4.113 0 1 GIAF COc1cc(OC)c2c(OC(=O)c3ccccc3Br)ccnc2c1 45300019 OEQFWFMGQWFYTO-UHFFFAOYSA-N 388.217 4.234 0 1 GIAF Fc1ccc2c(CCN3CCC[C@H](c4ccnc(NC5CC5)n4)C3)c[nH]c2c1 40913594 NPNPWCJJQLNNPC-INIZCTEOSA-N 379.483 4.093 0 1 GIAF in-vitro COc1ccc(COc2ccc(C(=O)[C@@H]3CN=C4C=C(C)C=CN4C3)cc2)cc1 43025540 MKSVQQIAYAZCPS-HXUWFJFHSA-N 388.467 4.261 0 1 GIAF COc1cc2cc(OC)c3c(c2cc1OC)N(C)Cc1c-3ccc(OC)c1OC 238749386 DWULEZLJOYLXKO-UHFFFAOYSA-N 395.455 4.500 0 1 GIAF COC(=O)C1=CCC[C@@H]2[C@@](C)(CCC3=C[C@@H](OC)OC3=O)[C@H](C)CC[C@@]12C 238761508 FSJFGZMOIPHTEI-JPPGZHGXSA-N 376.493 4.174 0 1 GIAF CCCCC[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C/C=C\CCCCCCC(=O)O 231931665 DTTMKDYOUCSFNN-GEJIRZJTSA-N 396.568 4.213 0 1 GIAF CCSc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)[nH]1 95602563 ZQRNLKDRXSNLKR-UHFFFAOYSA-N 376.478 4.398 0 1 GIAF CC[C@H](C)c1nc2nc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc2nc1O 299883360 RFDRYDRHGZSAAJ-IRXDYDNUSA-N 391.519 4.267 0 1 GIAF COCCCOc1cccc([C@H]2NC(=S)Nc3c2oc2c(F)cccc32)c1 299826633 QXBSEULNTNAFNO-MRXNPFEDSA-N 386.448 4.377 0 1 GIAF O=C(O)c1cccnc1SCc1nc2cc(Br)cc(Cl)c2[nH]1 586966953 NLPRJPVCRMEKFF-UHFFFAOYSA-N 398.669 4.364 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3[nH]c(Cl)ncc2-3)N1 587705724 OEHYTGALAYSVEE-NXSYQRQQSA-N 395.663 4.088 0 1 GIAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nnn1-c1ccc(F)cc1 587503409 FEBGWAUJPKUFFT-QHCPKHFHSA-N 391.446 4.474 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cn2cccn2)c1 587583158 UBCNGLKAVCDQHW-XUZZJYLKSA-N 398.418 4.340 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cn1cc(Cl)cn1 587864797 LTYGTQZNIRGSBO-UHFFFAOYSA-N 398.772 4.158 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](NC(=O)OC(C)(C)C)C1)CC2=O 587470446 NHIRBPKPXHGXOO-YEJXKQKISA-N 375.465 4.126 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(OC(F)F)nc1 587557412 RNOFIKAUIOXLDX-APWZRJJASA-N 385.322 4.092 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1ccc2c(c1)CCC2 587870438 IJQZNQVPDIMFBG-UHFFFAOYSA-N 380.419 4.296 0 1 GIAF N[C@H](Cc1nc2ccc(I)cc2[nH]1)c1ccccc1Cl 587057024 NDZGDUDLVAOGPP-GFCCVEGCSA-N 397.647 4.063 0 1 GIAF Cc1cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br 587172689 KESILKCEJSMSQG-GOSISDBHSA-N 389.224 4.401 0 1 GIAF CCCC(=O)O[C@H](C)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348151 MTLHQOOMGOARCH-YIKPVDIZSA-N 386.419 4.381 0 1 GIAF O=[S@@](CCCc1nc2cccc(F)c2[nH]1)c1ccc(Br)cc1 586960240 NNKSZTUYBZSEGQ-QFIPXVFZSA-N 381.270 4.205 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H](C(=O)O)C(C)(C)C2)N1 587825006 FJWSUYOLTSYOPF-QAMHXRKUSA-N 384.289 4.229 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611476 ROODJOLIXQIFJP-OFNKIYASSA-N 390.391 4.040 0 1 GIAF COc1cc(OC)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587806259 HEEREHZVGANGAB-MGNBDDOMSA-N 380.257 4.229 0 1 GIAF CC(=O)c1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587341352 WEIVQBBPCUFNOK-FYYLOGMGSA-N 391.398 4.403 0 1 GIAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)cc2N1 587125064 PCSUGPSOSGHIEU-ZANVPECISA-N 378.402 4.426 0 1 GIAF COc1ccc2c(c1)C1(CCN(C(=O)c3cccc(C)c3)CC1)N(C(C)C)CC2 962093822 QBXVUUVEUIPVTC-UHFFFAOYSA-N 392.543 4.402 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc(C)cn1)c1ccccc1F 963611875 QZUHMROUOPXQPA-FYSMJZIKSA-N 392.474 4.372 0 1 GIAF CC(=O)OCC(=O)[C@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 84403410 LIZWBGZACPSUNY-FPGXDWIWSA-N 388.548 4.305 0 1 GIAF O=C(O)[C@H]1C[C@H]1C(=O)c1ccc(N(Cc2ccc(Cl)cc2)CC2CC2)cn1 1772606067 PAOZWAQANPGPSX-MSOLQXFVSA-N 384.863 4.055 0 1 GIAF COc1ccc2c(ccn2CCCCCCCOC(=O)c2ccc[n+](C)c2)c1 13524882 IHNUJXWFYSRGDZ-UHFFFAOYSA-N 381.496 4.282 0 1 GIAF CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)c(C(=O)O)c1 13606934 WCSIGIOEZOCRAG-WEVVVXLNSA-N 381.428 4.105 0 1 GIAF Cc1cc2c(nc(-c3ccc(S(C)(=O)=O)cc3)n2-c2ccc(F)cc2)c(C)n1 13861642 OIZMQCNBCFFBRA-UHFFFAOYSA-N 395.459 4.247 0 1 GIAF CCCCC(C)(C)[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 169373299 MZFSUBMVKUYQSC-VYAMVSLQSA-N 392.536 4.102 0 1 GIAF COC(=O)[C@]1(Cc2ccccc2)CC(=O)O[C@]1(C)c1cccc(C(F)(F)F)c1 203532634 RAJHCZJZFCFJMA-UXHICEINSA-N 392.373 4.270 0 1 GIAF O=C(c1ccco1)N(c1cccnc1)C1CCN(CCc2ccccc2)CC1 596859 GLLIECZDUOJGOH-UHFFFAOYSA-N 375.472 4.029 0 1 GIAF COC(=O)c1c2c(cc3c1C[C@]1(Cc4cc5c(c(C=O)c4C1)CCC5)C3)CCC2 6385160 KKISMDCJUHRYQW-AREMUKBSSA-N 386.491 4.147 0 1 GIAF O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@@H]3CCc4ccccc43)[C@H]2C1 26154696 GNAKQYNBEYESRS-ASCQPHIJSA-N 396.527 4.222 0 1 GIAF NCCOc1c(-c2ccc(Oc3ccccc3)cc2)[nH]c(=O)c2cc(F)ccc12 114713129 XPSKRWQPQHOROG-UHFFFAOYSA-N 390.414 4.464 0 1 GIAF COc1cc(C(=O)O)ccc1Cn1ccc2ccc(NC(=O)OC3CCC3)cc21 29475660 ARNLZRRJAPVHKT-UHFFFAOYSA-N 394.427 4.497 0 1 GIAF Cc1ccc(-c2nc(N)c3cc(CN4CCc5ccccc5C4)sc3n2)o1 118709849 JQPWKEHWBDMVSV-UHFFFAOYSA-N 376.485 4.400 0 1 GIAF C[C@H]([C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21CO)N(C)C 2356569905 UCNIUVSOJLHWRM-UVQPOKPKSA-N 388.640 4.418 0 1 GIAF CCOc1c(OC)ccc2c(CC)c3[n+](cc12)CCc1cc2c(cc1-3)OCO2 36447158 ADIMMBVHMQNOAH-UHFFFAOYSA-N 378.448 4.049 0 1 GIAF O=C(N[C@H](c1ccc(Cl)c(Cl)c1)C1CNC1)c1ccc2cnccc2c1 72179488 TWAIYMKBHKNSRO-LJQANCHMSA-N 386.282 4.232 0 1 GIAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc(O)c(CC=C(C)C)c3O[C@H]1CO2 6186065 GBVCHRDRVDOMQV-SFTDATJTSA-N 396.439 4.038 0 1 GIAF biogenic C[C@@H]1CC[C@@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CN1 40846461 QALGDBRHRSNPSF-VXGBXAGGSA-N 394.566 4.048 0 1 GIAF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@@H]1CON[C@@H]14 40860233 DRXOELPRTPHLTL-HUMGGIHDSA-N 375.553 4.482 0 1 GIAF COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C(=O)OC)=CC[C@H]1C(C)(C)CCC[C@@]12C 238779755 SKINSGNGSUPVKT-IRNNPGBSSA-N 378.509 4.193 0 1 GIAF Cn1c(-c2ccccc2Cl)nc2c(=O)[nH]c3cc(Br)ccc3c21 95605058 WWFSBNOLIPCNTD-UHFFFAOYSA-N 388.652 4.498 0 1 GIAF C[C@@H]1c2ccc(CN(C)C)cc2CCN1C(=O)c1cc2cc(Cl)ncc2n1C 299835331 YNEAIUBIXURTMM-CQSZACIVSA-N 396.922 4.048 0 1 GIAF CC(C)C(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704304 IIOVGINPKJUAAL-BJOHPYRUSA-N 396.222 4.495 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCNc3nc(Cl)ccc32)N1 587701068 AEADFXLCACZHSL-VVVCHXIZSA-N 396.691 4.230 0 1 GIAF COC(=O)[C@@H]1CCCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587346335 BIFRSSCEIAVAPM-NOXFTYBFSA-N 398.430 4.382 0 1 GIAF Cc1ccc2c3c(c4c(nc13)[C@@H](S(C)(=O)=O)CCC4)-c1ccccc1C2=O 587103395 WPQNGSUIDIAAGQ-KRWDZBQOSA-N 377.465 4.177 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1ccccn1 587586854 KKHIOAZQTGNROS-URXFXBBRSA-N 396.402 4.088 0 1 GIAF CC(C)Oc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587774762 XPLXPHMEIXCWRQ-BBATYDOGSA-N 379.273 4.394 0 1 GIAF CSc1nc(Cl)cc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1 587661624 PKQDESATQHHAQT-UHFFFAOYSA-N 398.850 4.357 0 1 GIAF CN(C)[C@@H](Cn1c(O)ccc1OC(C)(C)C)c1cccc(Br)c1 587941686 VLNGOFYKBVXSFP-HNNXBMFYSA-N 381.314 4.436 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(C[C@@H]3CC[C@H](C2)N3C2CC2)N1 587764675 AQQPIVBAUSKPGR-WRXJKDNKSA-N 379.317 4.107 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2C(=O)C(F)F)N1 587716193 IVUFRMVWQCQMEV-CINOJJQCSA-N 390.243 4.342 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H]1CC[C@]2(C)C1(C)C 587818301 PYMZQHKMOZORJX-VLDUJYHDSA-N 380.301 4.343 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2c(N)ccnc2[nH]1)c1cccc(Cl)c1 587072122 UKMHUABUPKCADY-AWEZNQCLSA-N 387.871 4.002 0 1 GIAF Cc1cc(-n2cccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)no1 587754729 MHTAIISHVZYHES-MLCYQJTMSA-N 390.256 4.299 0 1 GIAF O=C(O)c1cccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587656965 ODJUZBIVUJNLLF-UHFFFAOYSA-N 378.334 4.029 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 586917517 SVZQRIGUOIGIGP-APBUJDDRSA-N 378.325 4.336 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C[C@H](C)C(=O)O)(c1cccc(F)c1)CC2=O 587465735 GHFUACPISHUVND-XMHCIUCPSA-N 386.419 4.455 0 1 GIAF O=C(c1ccc(Cl)c(Br)c1)n1ncc2ccc(Cl)cc2c1=O 587650612 AADXOTMXQZXULN-UHFFFAOYSA-N 398.043 4.154 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccccc2O)N1 587834949 UQYDEBCQPFYTQT-JEOXALJRSA-N 392.268 4.316 0 1 GIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(F)cc(F)c4[nH]3)c2)c1 587231832 GDPRGSITCFNFSC-UHFFFAOYSA-N 377.394 4.459 0 1 GIAF COc1cccc(-c2ncc([C@H]3c4c(F)cccc4C[C@H]4CCCN34)cn2)c1 963098065 FXAWTKDHZAWMNJ-GCJKJVERSA-N 375.447 4.401 0 1 GIAF C[C@]1(Cc2ccc(O)cc2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963188669 VSQOGIIBNMOBNV-RDTXWAMCSA-N 399.796 4.121 0 1 GIAF CSc1ccccc1[C@@]1([C@@H]2CCCC[C@H]2C(=O)O)NCCc2ccc(O)cc21 963340166 FVRSYYMHAVFVRD-PMAPCBKXSA-N 397.540 4.394 0 1 GIAF C[C@@H](O)[C@]1(c2cccc(Cl)c2)c2ccsc2CCN1Cc1cccn1C 962376243 VAGFUWOTGAAZEK-VFNWGFHPSA-N 386.948 4.423 0 1 GIAF COc1nc(Cl)c([C@@H]2c3ccsc3CCN2Cc2cccn2C)s1 962378840 UTZADEGJOOSASO-AWEZNQCLSA-N 379.938 4.353 0 1 GIAF CC[C@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)NCc1ccccc1 5415676 HYHJRRBOAINTCU-PMACEKPBSA-N 385.552 4.083 0 1 GIAF biogenic CCN(CC)C(=O)c1cccc(-c2ccc3c(c2)N(C(C)C)C(=O)COC3)c1 205226299 BZGZGXFKRXNREG-UHFFFAOYSA-N 380.488 4.107 0 3 GIAF COC(=O)c1ccccc1-c1ccc(CN2C3=NCCN3c3ccccc32)cc1 1857588641 IPYQJZMUVZUPBY-UHFFFAOYSA-N 383.451 4.336 0 1 GIAF O=C(O)c1ccccc1Nc1nc(Nc2ccccc2)ncc1Br 14960351 JCKOZYLWQZFIIG-UHFFFAOYSA-N 385.221 4.425 0 1 GIAF O=C(O)/C(=C/c1cncc(-c2ccccc2Cl)c1)NC(=O)c1ccccc1 28522413 AGXSHWSRDZAVDG-ODLFYWEKSA-N 378.815 4.258 0 1 GIAF COc1ccc([C@@H]2CC3(N(C)C)C[C@@H](O)C2[C@H](c2ccc(OC)cc2)C3)cc1 38308023 ZKWMIFWZIBHEBK-WZLDUSJXSA-N 381.516 4.046 0 1 GIAF CN(CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)CCCN 45498771 LTAYAFLYWNDJLO-LJQANCHMSA-N 394.437 4.413 0 1 GIAF NC(=O)c1c(F)ccc(OCc2nc3cc(-c4ccccc4)cnc3s2)c1F 49784888 DOVMRFVTOPZLEM-UHFFFAOYSA-N 397.406 4.314 0 1 GIAF COc1cccc(-c2cnc([C@H](C)NC(=O)CCCOc3ccccc3)[nH]2)c1 73199615 LAXIYMZDCXMBLH-INIZCTEOSA-N 379.460 4.122 0 1 GIAF O=C(NCC1CCCCC1)c1cnc(N2CCCC2)nc1-c1ccccc1F 82150881 SEKYOFXVQZVGKK-UHFFFAOYSA-N 382.483 4.193 0 1 GIAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1csc(-c2ccccn2)n1 118599749 KUWOKUCUQBIRMV-LJQANCHMSA-N 379.485 4.338 0 1 GIAF N=[S@](=O)(c1ccccc1)c1ccc(CNC(=O)c2cc3ccncc3o2)cc1 299855947 BGXXRPXOHFDRGL-NDEPHWFRSA-N 391.452 4.223 0 1 GIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cccc(F)c3[nH]2)C[C@H]2CCCC[C@H]21 586961245 QPZYOMBCQZEYEA-ZMYBRWDISA-N 399.491 4.397 0 1 GIAF COc1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587019030 SVSBLNBUMMXWIY-UHFFFAOYSA-N 379.441 4.057 0 1 GIAF O=S(=O)(c1ccc2nc(-c3csc4ccc(O)cc34)[nH]c2c1)C(F)(F)F 587031790 AWUCMMBZUHOCIK-UHFFFAOYSA-N 398.387 4.444 0 1 GIAF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587076109 IZYXLGCPARAGRH-UHFFFAOYSA-N 392.846 4.353 0 1 GIAF Fc1ccc(-c2nc3c(F)cc(Br)cc3[nH]2)nc1Br 587154633 COBFSFWNZAUFGA-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF COC(=O)c1cc2nc(-c3cncc(F)c3)[nH]c2c(F)c1Nc1ccccc1 587177476 YRYGZXPBXKLTMZ-UHFFFAOYSA-N 380.354 4.433 0 1 GIAF COC(=O)c1ccc(Oc2ccc3[nH]c(-c4cccnc4N(C)C)nc3c2)cc1 587196158 RBKGWPGQKRYTEL-UHFFFAOYSA-N 388.427 4.270 0 1 GIAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)cc1 587245719 YFTPOJGGZTXDQB-UHFFFAOYSA-N 389.459 4.395 0 1 GIAF Cn1ccc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342926 QSCQIJHRRKJHSD-FYYLOGMGSA-N 377.415 4.461 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](NC(=O)OC(C)(C)C)c3ccccc31)O2 587392451 ZPRYEVDHLHKXJJ-MBSDFSHPSA-N 394.471 4.407 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCc4cc(F)c(Br)cc41)[C@@H](C2)C3=O 587427033 GLUBCABRJRKBSU-DJJJIMSYSA-N 389.220 4.186 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCC[C@H]4CN(Cc5ccccc5)C[C@@H]41)[C@@H](C2)C3=O 587440477 ACRXBELIDJNDKF-DFSVQXFESA-N 389.495 4.114 0 1 GIAF COCCOc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCO2 587534747 FVWDNHHOQUHOOL-FQEVSTJZSA-N 396.439 4.026 0 1 GIAF Cc1ccc(CNC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)cc1 587623539 VROHWQIOPHGEAL-UHFFFAOYSA-N 397.276 4.354 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3cccnc3c2)N1 587779164 QMQNCBQMJCSWAK-NSPYISDASA-N 386.268 4.329 0 1 GIAF C=C1C=C(C)n2ncc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2N1 587796081 PAEIVZDVWLUIER-QGHHPUGFSA-N 389.272 4.208 0 1 GIAF C[C@H](CCc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)CC(=O)O 587963313 SOYXDQUHBGGMFZ-SSDOTTSWSA-N 379.176 4.388 0 1 GIAF Cc1c(Br)cnc2[nH]c(C3(c4ccccc4)CCC(=O)CC3)nc12 587970286 DXDPWMWWEKVWMC-UHFFFAOYSA-N 384.277 4.458 0 1 GIAF CCc1nccn1C[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962948521 BQKDZNBXZPKKCO-IBGZPJMESA-N 393.453 4.031 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)cc1 1772593129 LUHGRGNVZFIYPH-UGSOOPFHSA-N 376.859 4.334 0 1 GIAF Cn1c(C(=O)Nc2ccccc2)cc2sc(I)cc21 1772598732 YTELMAJGZZTDHS-UHFFFAOYSA-N 382.226 4.097 0 1 GIAF CC(C)Nc1c(Cc2cccc3ccccc23)cc(=O)n2c1SC[C@H]2C(=O)O 1857536759 XOTSSWSYQJHLPH-SFHVURJKSA-N 394.496 4.144 0 1 GIAF Cc1c(C(=O)NN2C(=O)CSC23CCC(C)CC3)[nH]c2ccc(Cl)cc12 1911577089 AXQNNCHBTSIHLK-UHFFFAOYSA-N 391.924 4.256 0 1 GIAF CC1(C)CC[C@H](OC(=O)C=Cc2ccc(O)cc2)[C@]2(C)[C@@H]3C(=CC[C@@H]12)CO[C@H]3O 2356403802 VCKBZSACDFEBME-ADDNNTKRSA-N 398.499 4.055 0 1 GIAF CC(C)C[C@@H](CSc1ccc(Br)cc1)N1CCN(C)CCC1=O 13661692 ORKHBYZUQKDOHF-INIZCTEOSA-N 399.398 4.120 0 3 GIAF CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N(C)CCc1ccccc1 95568552 WJPANQCMXQOHBX-QFIPXVFZSA-N 389.503 4.483 0 3 GIAF Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccccc1O 994940 NKELUWMWZWKVOB-QFIPXVFZSA-N 388.467 4.461 0 1 GIAF O=c1c2ncn([C@@H]3CCCO3)c2n(-c2ccccc2)c(=S)n1-c1ccccc1 1651042 BLVKPSJSHOROAD-KRWDZBQOSA-N 390.468 4.016 0 1 GIAF O=C1CCCc2c1cc(C(=O)Nc1cccc(Cl)c1)c(=O)n2-c1ccccc1 2488335 VLCHUUHTIYIYIK-UHFFFAOYSA-N 392.842 4.262 0 1 GIAF CC(=O)Oc1ccc2c(c1)C[C@H](C)n1c-2c(C=O)c2cc(OC(C)=O)ccc21 13650948 IIJLGZYAQCCAGR-LBPRGKRZSA-N 377.396 4.089 0 1 GIAF CCCCc1cc(O)cc(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 28252864 YOZLTAKLFDSWLJ-UHFFFAOYSA-N 377.440 4.310 0 1 GIAF CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2occc2C(=O)O)cc1 34721568 NQOOFKORTOTUKO-UHFFFAOYSA-N 388.851 4.378 0 1 GIAF O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)NCc1c[nH]c2ccccc12 40860175 CGUFOAAEEAJXJL-IBGZPJMESA-N 383.451 4.004 0 1 GIAF COc1ccc(-c2ccn([C@@H](C)CC(=O)O)c2-c2ccc(C(N)=O)cc2C)cc1 71295747 NWSMHPOVHBUYOS-HNNXBMFYSA-N 392.455 4.274 0 1 GIAF Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)c1ccncn1 72177703 MHQXHRTWLNONSD-FQEVSTJZSA-N 378.863 4.478 0 1 GIAF Cc1csc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)n1 103242961 PIIAGRLGKMELJZ-UHFFFAOYSA-N 395.507 4.079 0 1 GIAF COC(=O)[C@@]1(c2ccccc2)C(=O)N(C(C)(C)c2cccc(Cl)c2)C=C1C 103276679 IHWBNGNHNJKPON-QFIPXVFZSA-N 383.875 4.432 0 1 GIAF COc1cccc(OC)c1[C@H]1C[C@H](C)C(=O)N1Cc1ccc(OCCF)cc1 167099038 IHSYGQNSGRWZNY-MAUKXSAKSA-N 387.451 4.162 0 1 GIAF Cc1nc(NC(=O)N[C@H](C)c2ccccc2)cc2[nH]nc(OC(F)(F)F)c12 209327950 BFSWLJDRSTWTJB-SECBINFHSA-N 379.342 4.048 0 1 GIAF FC1(F)CCN(c2cc(-c3n[nH]c4ccc(-c5cccnc5)cc34)ncn2)CC1 225559270 XQUJRBIYUCKXLW-UHFFFAOYSA-N 392.413 4.317 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3C[C@H](O)[C@]12C 253995335 KXGVEGMKQFWNSR-XJBJTGALSA-N 392.580 4.478 0 1 GIAF Oc1c(-c2nc3ccc(I)cc3[nH]2)ccc2c1CCCC2 586897662 HWONSMRVUQYDHD-UHFFFAOYSA-N 390.224 4.419 0 1 GIAF COc1ccc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)c(C)n1 586987421 ATKKFECBMAVNEP-UHFFFAOYSA-N 382.419 4.455 0 1 GIAF Clc1ccnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc12 587001415 XTPSFJKMWVYTPS-OWOJBTEDSA-N 392.640 4.315 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083322 OHMPEIDGCPFGRT-UHFFFAOYSA-N 392.267 4.488 0 1 GIAF CN1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]2CCC[C@H]21 587332722 AYWRLQKMCUPHIZ-QRICJDHISA-N 381.447 4.133 0 1 GIAF Cc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1 587340165 SGDRCMAFYVSGJD-RBBKRZOGSA-N 378.403 4.212 0 1 GIAF O=C1c2ccc(O)cc2O[C@](c2ncc[nH]2)(c2ccco2)[C@@H]1c1ccc(F)cc1 587348952 SSQFWKYSWMPUQP-DENIHFKCSA-N 390.370 4.150 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(Br)c(F)c1)O2 587385539 ORTCGLWLXYAGQP-SFHVURJKSA-N 378.241 4.445 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc3c1cnn3[C@@H]1CCCCO1)O2 587389995 FAYZUXPCFJDNBI-SFTDATJTSA-N 377.444 4.333 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(F)ccc(F)c1Br)[C@@H](C2)C3=O 587424944 YLTDEKUPTWWKTR-XYZCENFISA-N 381.172 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccsc1C(=O)O)[C@@H](C2)C3=O 587452791 PMTJLCLMFPSHDW-AOMKIAJQSA-N 392.432 4.146 0 1 GIAF O=C(c1cccc2[nH]ccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660593 HNWBAUUDTXSFMD-UHFFFAOYSA-N 383.382 4.372 0 1 GIAF Cc1nc2c(C)cccn2c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587772152 DRQWZFICOPFAIM-PIGZYNQJSA-N 388.284 4.476 0 1 GIAF CCCCC[C@]1(C(=O)OCC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795686 IWOTWDTUILOJPG-SGTLLEGYSA-N 386.305 4.461 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(C(=O)O)C3(C)C)N1 587827606 LDHXACJSJXZDFV-DDDFPZQPSA-N 396.300 4.229 0 1 GIAF Cc1cc2c(cc1[C@H]1N[C@H](C)Cc3ccc(F)c(Br)c31)OCO2 587837078 ZFFIEGAQOSTHRK-MLCYQJTMSA-N 378.241 4.249 0 1 GIAF COc1cccc([C@@H](C)Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1 587930151 HHZFNYYJUBWSAI-NSHDSACASA-N 398.406 4.211 0 1 GIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(F)cc(Br)c3[nH]2)cc1 587934399 DJXJQNXAZBSLFK-FVMDXXJSSA-N 379.229 4.310 0 1 GIAF CC(=O)N1CCN(CCCCCC(=O)n2c3ccccc3c3ccccc32)CC1 653689381 BXSLRXLZCLLPDO-UHFFFAOYSA-N 391.515 4.159 0 1 GIAF O=C(NC1CC1)c1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962706990 MWOPLZMGMDRVIV-AVRDEDQJSA-N 396.531 4.171 0 1 GIAF C[C@@]1(c2cccc(-c3cccc(O)c3)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962906188 XDZUPWVAIOMPTR-GMAHTHKFSA-N 377.415 4.061 0 1 GIAF CC(C)=CCC[C@@](C)(O)[C@H](O)CCC(C)=CCc1cc(C(=O)O)ccc1O 2356484855 JXAFVRIAOQJYNY-IFMALSPDSA-N 376.493 4.218 0 1 GIAF CC(=O)Oc1ccc2c(c1)C[C@H](C)n1c-2c(C=O)c2ccc(OC(C)=O)cc21 13650946 IRCBDBHYANNXON-LBPRGKRZSA-N 377.396 4.089 0 1 GIAF C=Cc1nc2sc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccccc3)n2n1 27707250 NDKYEPMSJMCRHM-UHFFFAOYSA-N 381.482 4.171 0 1 GIAF CN(C)CCc1cccc2[nH]c(-c3nc(CCc4ccc(F)cc4)no3)cc12 36311385 AIGXSKZOKFOOSX-UHFFFAOYSA-N 378.451 4.246 0 1 GIAF CCCCN1CCc2cc(OC)c(OC)c3c2[C@@H]1Cc1cc2c(cc1-3)OCO2 72118896 KYGNMEFUIYHKAE-KRWDZBQOSA-N 381.472 4.355 0 1 GIAF C/N=c1\[nH]c2cnc(Nc3cc(C(F)(F)F)ccc3F)cc2n1CC1CC1 82081877 KEELCJASXMIQEB-UHFFFAOYSA-N 379.361 4.206 0 1 GIAF CCCNC[C@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1C(=O)C1CCC1 95667186 KOXCBNLBJCZVJF-RBZQAINGSA-N 396.575 4.099 0 1 GIAF COc1nn(C)cc1-c1cnc(N)c2oc(-c3csc4cnccc34)cc12 96282215 ZINYHYQBLSXMQW-UHFFFAOYSA-N 377.429 4.096 0 1 GIAF COc1ccc(-c2c3cc(OC)c(OC)c(OC)c3cc3c2nc(N)n3C)cc1 96938729 RUOKWEVMNYORMB-UHFFFAOYSA-N 393.443 4.010 0 1 GIAF O=C(Nc1cccc(C(F)(F)F)n1)c1cc(F)cc(Oc2cncnc2)c1 96938952 YQPSHBHBNCNNSB-UHFFFAOYSA-N 378.285 4.074 0 1 GIAF CC(C)(C)c1cnc(CSc2cnc(NC(=O)[C@H]3CC[C@@H](N)CC3)s2)o1 100372095 MFPWMKHFMBARRG-HAQNSBGRSA-N 394.566 4.177 0 1 GIAF C[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(N3CCC4(CCOCC4)C3=O)cc2)C1 147027305 WTVFOYLNIDIYLJ-VCOUNFBDSA-N 382.548 4.341 0 1 GIAF Cc1cc(C)n(C[C@H]2CC[C@H](NC(=O)c3cc(C(F)(F)F)cnc3C)CC2)n1 149798022 JKLLQCCOTMYIGE-WOVMCDHWSA-N 394.441 4.211 0 1 GIAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(C3CCNCC3)cc2)n1 203004109 CSAXTAFNPUJWLH-UHFFFAOYSA-N 389.507 4.340 0 1 GIAF COc1c2ccoc2c(OC/C=C(/C)C[C@@H]2C=C(C)C(=O)O2)c2oc(=O)ccc12 238756491 BSOQPQBWWASEBU-NFEOESJKSA-N 396.395 4.135 0 1 GIAF O=C(CCc1cn(C[C@@H](O)CN2CCCCC2)c2ccccc12)c1ccccc1 299864367 MHSBQWAPDZNAST-QFIPXVFZSA-N 390.527 4.304 0 1 GIAF CC[C@H](C)NC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(C#N)cc1 299873716 AFCMTLJIBPHKCW-ZACQAIPSSA-N 391.519 4.026 0 1 GIAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2)cc1 586881233 VILNBPHEBFGTAG-UHFFFAOYSA-N 392.436 4.346 0 1 GIAF Oc1cccc([C@H](O)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 586889238 FKBOBHIPYLTXKN-ZDUSSCGKSA-N 387.155 4.132 0 1 GIAF COc1ccc(-c2nnc(-c3ccc4nc([C@H]5CC[C@@H](O)CC5)[nH]c4c3)o2)cc1 586899172 NFLVMHSZJJEKMD-AKAXFMLLSA-N 390.443 4.307 0 1 GIAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cnnc(O)c2[nH]1 586983070 VNRWVBMYEOQMDK-LBPRGKRZSA-N 375.270 4.193 0 1 GIAF COc1cc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2cc1F 587041697 DLIIAQVIXODKJN-HNNXBMFYSA-N 377.828 4.020 0 1 GIAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 587168814 NLFKWEIHLUUPJU-VIFPVBQESA-N 388.342 4.136 0 1 GIAF Brc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cn1 587231540 BRWOAOUOWBKSEB-UHFFFAOYSA-N 383.249 4.270 0 1 GIAF CCOC(=O)C1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCC1 587347599 LQATVRSPBGWQGG-SIKLNZKXSA-N 398.430 4.382 0 1 GIAF COc1cc(Br)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587375694 FIIZLLUYTPARGN-HNNXBMFYSA-N 392.249 4.063 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3ccc(C(F)(F)F)n3)cc1)O2 587381198 CUMVAXOGMCJQBN-KRWDZBQOSA-N 387.361 4.488 0 1 GIAF COC(=O)c1cc([C@]2(C3CCCCC3)CC(=O)c3cc(C)cc(N)c3O2)c[nH]1 587395679 FOGIPLRCEDTWCJ-JOCHJYFZSA-N 382.460 4.133 0 1 GIAF COc1ccc(-c2csc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)n2)cc1 587451353 NFFWLLZONVLWPR-QRWLVFNGSA-N 379.437 4.316 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H]1CNC(=O)OC(C)(C)C)CC2=O 587471874 WDMHRYYZRCYDRX-JLCFBVMHSA-N 389.492 4.374 0 1 GIAF CCOC(=O)COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526736 ZPEDZWNAVXOKOB-XMMPIXPASA-N 394.467 4.388 0 1 GIAF C[C@]1(c2ncc(F)cc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566802 AQNDBHVADVCBNZ-JXFKEZNVSA-N 385.778 4.457 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(-n2ccnc2)cc1 587574094 ANNBEDXYWIFWDN-NZQKXSOJSA-N 384.391 4.281 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cn1ccnc1)c1ccccc1 587576313 IOSDMBHQPGTWON-URXFXBBRSA-N 398.418 4.146 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccccc2)[nH]1 587587868 IJZGWVBMHNQPQJ-SIKLNZKXSA-N 384.391 4.485 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2c2cncnc2)N1 587780002 XHCYTTWGFIRVAD-KPAZRMRSSA-N 390.300 4.466 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CC1(C)OCCO1 587859552 ZJQLEKUTNBVNCL-UHFFFAOYSA-N 385.247 4.049 0 1 GIAF CC[C@@]1(Cc2nc3ccc(S(=O)(=O)CC)cc3[nH]2)CC(=O)c2ccccc2C1 587959049 BPQLSAZOBQBBGY-QFIPXVFZSA-N 396.512 4.125 0 1 GIAF CC(C)c1nn(C)c2c1[C@H](c1ccc(-c3cc(C(=O)O)ccc3Cl)o1)NCC2 962918207 NOYXRCIMFOZKTR-FQEVSTJZSA-N 399.878 4.390 0 1 GIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](C2(CN3CCOCC3)CCCCC2)N1 962953848 WLXJSHNZELMQIT-FDDCHVKYSA-N 381.564 4.416 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1sc(NC(C)C)nc1C 963038284 RVWOBKGTZAKYOR-OAQYLSRUSA-N 382.533 4.238 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc(OCC(F)(F)F)c(F)c1 963609122 LUEBZZLHNFZEEB-NSPYISDASA-N 399.384 4.408 0 1 GIAF COc1ccc(-c2cnc3cnc(-c4cnn(Cc5ccccc5)c4)cn23)cc1 1857610358 UYJVUMZLGNHGJU-UHFFFAOYSA-N 381.439 4.317 0 1 GIAF O=S(=O)(NC1CCCCC1)c1ccc(F)c(-c2ncc(-c3ccccc3)[nH]2)c1 1857744634 QKOJANKVUMLDOR-UHFFFAOYSA-N 399.491 4.494 0 1 GIAF CCCCCC(=O)CC[C@@H]1C(=O)C[C@H](O)[C@@H]1CC=CCCCC(=O)OCC 2356370506 AZSPHVCKQYRXFJ-AABGKKOBSA-N 380.525 4.162 0 1 GIAF CCCCCCN1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(OC)cc1 61923775 ZRFBSEQPZCOTTA-DNVJHFABSA-N 398.551 4.093 0 3 GIAF Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)c1cccs1)CC(=O)N2 3660386 CYXORFFVQAQPII-FQEVSTJZSA-N 380.444 4.380 0 1 GIAF CCCCOC1=C(C(=O)O)[C@@H](c2ccc3c(c2)OCO3)Oc2ccc(OC)cc21 13473361 JAPVZQKCROHIIT-HXUWFJFHSA-N 398.411 4.170 0 1 GIAF O=C(CCCCCN1CCN(c2noc3ccccc23)CC1)c1ccccc1O 13493254 BWXABDUNWUIBLQ-UHFFFAOYSA-N 393.487 4.099 0 1 GIAF CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2C(N)=O)cc1 13823636 XSWFYSDPGAYXSP-UHFFFAOYSA-N 397.906 4.186 0 1 GIAF Cc1c(F)c(Oc2cccc(C(=N)N)c2)cc(Oc2cccc(C(=N)N)c2)c1F 27308125 AMIWNBPSEQZDCD-UHFFFAOYSA-N 396.397 4.426 0 1 GIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\c2ccco2)c1 28458481 RELAZHIUNFIVGO-QXMHVHEDSA-N 376.456 4.306 0 1 GIAF COc1ccc(CN2CCC(NCc3cccc(C(F)(F)F)c3)CC2)cc1 45228640 ZYEVWAOHUYNASA-UHFFFAOYSA-N 378.438 4.468 0 1 GIAF COc1ccc(-c2noc(NC(C)=O)c2-c2cc(OC)c(OC)c(OC)c2)cc1 45385818 OCIZHIXDTUOFSC-UHFFFAOYSA-N 398.415 4.001 0 1 GIAF CC1=C(CN2CC(C(=O)O)C2)CCc2cc(OCCCc3ccccc3)ccc21 73224487 JJNOYMXHHIWGFI-UHFFFAOYSA-N 391.511 4.434 0 1 GIAF O=C(N1CCC1)N1CC(O[C@H](c2ccc(Cl)cc2)c2cccnc2Cl)C1 73279836 DYRFEPBVSNYXAJ-QGZVFWFLSA-N 392.286 4.004 0 1 GIAF N[C@@H](CS[C@](Cc1ccccc1)(c1ccccc1)c1ccccc1F)C(=O)O 84709934 NMNHRKVBNLEXKT-JTHBVZDNSA-N 395.499 4.457 0 1 GIAF CCCC[C@@H]1CC[C@](CCc2ccc(O)c3c2CCCO3)(OC(C)=O)C[C@H]1O 85627710 PPZINCQQUQWLLM-AAIMPIBUSA-N 390.520 4.303 0 1 GIAF biogenic,in-vitro ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H]([C@@H]5O[C@H]54)[C@@H]3[C@@]1(Cl)C2(Cl)Cl 100091857 DFBKLUNHFCTMDC-FLSPZHGBSA-N 380.913 4.481 0 1 GIAF endogenous,in-man COC(=O)[C@@H]1[C@@H](OC(c2ccc(C)cc2)c2ccc(C)cc2)C[C@@H]2CC[C@@H]1N2C 100761046 BRDDKFGREBLJEO-MLCQCVOFSA-N 393.527 4.434 0 1 GIAF CN1[C@H]2CC[C@H]1CC(OC(=O)[C@@H](Cc1ccccc1)Oc1ccc(Cl)cc1)C2 102079814 ZCXLVQYDLLUFKR-CNNODRBYSA-N 399.918 4.499 0 1 GIAF CN1C/C=C\CC(=O)Nc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)C1 169356865 FWMQFPCUIRCJLI-IHWYPQMZSA-N 385.471 4.217 0 1 GIAF OC[C@H](NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)C1CCCCC1 204412718 USBSUEHYEICQCS-SFHVURJKSA-N 379.426 4.193 0 1 GIAF COc1nccc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc12 586981191 LZUMEGIBVVBVJW-UHFFFAOYSA-N 383.249 4.495 0 1 GIAF O=C(Nc1ccccc1)Nc1nc(Cc2nc3c(Cl)ccnc3[nH]2)cs1 587019133 HVEOPIBTWINYCW-UHFFFAOYSA-N 384.852 4.303 0 1 GIAF CN(C)CCOc1ccc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2c1 587242125 PNJLTVJGQVZESD-UHFFFAOYSA-N 380.492 4.155 0 1 GIAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1 587259092 DFRPJIHBWPTBFJ-HNNXBMFYSA-N 390.846 4.062 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=O)C3CC3)c(OC)c1)CC2=O 587484035 WAIBUPLVNSIBJV-FQEVSTJZSA-N 396.439 4.375 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCOc1c(F)ccc(F)c12 587567078 BYIJWACJSMJDSZ-GCJKJVERSA-N 396.345 4.310 0 1 GIAF CCOC(=O)c1ncn(-c2c(-c3cccc(Cl)c3)[nH]c3cccc(F)c23)n1 587632874 LTLXUCFGXMXDOK-UHFFFAOYSA-N 384.798 4.385 0 1 GIAF CC(C)n1ncc2c1CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587761429 UGJBOHNQGCFZTO-CWTRNNRKSA-N 392.316 4.480 0 1 GIAF COC(=O)c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2n1 587784366 QZTFGVBRUNGIKY-ZROIWOOFSA-N 385.423 4.494 0 1 GIAF CCOC(=O)[C@H](C(C)C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587799879 UPXOUZWRLCKJQF-CDNVCLAFSA-N 386.305 4.173 0 1 GIAF COC(=O)c1csc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587844854 CEYFXQIZSIBCQX-ANRSDYALSA-N 384.270 4.060 0 1 GIAF Fc1ccc(Nc2nc(Nc3cccc(N4CCOCC4)c3)ncc2F)cc1 653755596 DTNZDEFWJLQDJX-UHFFFAOYSA-N 383.402 4.079 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@H](c2ccccc2-c2cccnc2)N1)C(F)(F)F 962763333 KDCVDZCFPABQAZ-VQTJNVASSA-N 382.385 4.484 0 1 GIAF C[C@H]1CN(C(=O)OCc2ccccc2)CC[C@]12NCCc1cc(Cl)ccc12 963391422 SVLSUKUNELBMMB-AOMKIAJQSA-N 384.907 4.360 0 1 GIAF C=C1OC(=O)C=C1Cc1ccc(NC(=O)Cc2ccccc2C(F)(F)F)cc1 1772656650 NQNVSENRHLOPRJ-UHFFFAOYSA-N 387.357 4.426 0 1 GIAF COCC=Cc1ccc2c(c1)[C@@H](COC(C)=O)[C@@H](c1ccc(OC)c(OC)c1)O2 2356708237 HKPBKTJFDWPYQN-AUSIDOKSSA-N 398.455 4.144 0 1 GIAF O=C(Nc1ccc(F)cc1)OCc1cn(Cc2cccc(C(F)(F)F)c2)nn1 203462591 ZMNGWGSZNLSBQR-UHFFFAOYSA-N 394.328 4.233 0 3 GIAF O=C(O[C@H]1CN2CCC1CC2)N1CCc2ccccc2[C@H]1Cc1ccccc1 13674436 QVJDPQPQRZODAN-PKTZIBPZSA-N 376.500 4.059 0 1 GIAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@@H]1C[C@H]1c1ccccc1 13679935 KEBJTPRYSCTYBB-XZOQPEGZSA-N 388.555 4.276 0 1 GIAF CNCC[C@@H](Oc1ccc(C)cc1I)c1ccccc1 13730738 QVHODKIQDZTTFR-MRXNPFEDSA-N 381.257 4.329 0 1 GIAF CCCCc1nc(CO)c(Cl)n1Cc1ccc(-c2ccccc2C(=O)O)o1 13739751 LZKYYUMUVIGFNB-UHFFFAOYSA-N 388.851 4.378 0 1 GIAF Cc1cccc(C(=O)NC(C)C)c1NC(=O)c1ccc(C(F)(F)F)nc1C 28528153 WVAWYQVBEMVBSU-UHFFFAOYSA-N 379.382 4.108 0 1 GIAF CN(C)c1ccc(S(=O)(=O)Nc2cccc3cccnc23)c2ccccc12 28871505 JZZVVKQRWDJNKC-UHFFFAOYSA-N 377.469 4.255 0 1 GIAF Cc1ccc(-c2nc(NC(=O)COc3ccccc3)cc(-c3nccs3)n2)o1 29041624 AIBOKCZKYWCPKJ-UHFFFAOYSA-N 392.440 4.186 0 1 GIAF Fc1cc(N2CCN(CCc3coc4ccccc34)CC2)c2ncccc2c1 34524847 QPHHLNWGSNUFFC-UHFFFAOYSA-N 375.447 4.485 0 1 GIAF O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1 36286108 KPKOJXZVOJTTBP-FCHUYYIVSA-N 387.527 4.018 0 1 GIAF CC[C@@H](C)CN1CCC(N(C)c2cc(NC(=O)c3ccc(F)cc3)ccn2)CC1 45194931 DZHFWKVIGOTZRU-QGZVFWFLSA-N 398.526 4.420 0 1 GIAF O=C1NC(=O)c2ccc(Cl)cc2/C1=C/Nc1ccc(CN2CCCCC2)cc1 45484623 NGOBGFBVHOWJSU-MOSHPQCFSA-N 395.890 4.049 0 1 GIAF COc1cc(-c2ccc(C(=O)NCc3ccccc3)cc2)cc(OC)c1OC 64564754 MUWKSZMIJIWHOT-UHFFFAOYSA-N 377.440 4.309 0 1 GIAF C[C@H]1CN(C2CCCCC2)C(=O)[C@H]1CC(=O)Nc1ccc(Br)cc1 72136799 BFFFQIGXKMQHOI-GUYCJALGSA-N 393.325 4.205 0 1 GIAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)C1 82151611 AYHNMGWZKOSQNB-HOTGVXAUSA-N 382.483 4.001 0 1 GIAF COc1ccc(OC)c(CN(C(=O)CF)c2cc(F)ccc2OC(C)C)c1 84689971 XHHGDSULJHNFRL-UHFFFAOYSA-N 379.403 4.133 0 1 GIAF CCOC(=O)c1c(O[C@H]2CCCC[C@H]2C)cc(CCc2ccccc2)[nH]c1=O 95586513 IJPVBUQUHPMPMK-APWZRJJASA-N 383.488 4.294 0 1 GIAF COCc1cc(NC(=O)c2ccc(C)cc2)cc([C@@]2(C)CCSC(N)=N2)c1 96174306 VJEFMHFJVLHAHE-OAQYLSRUSA-N 383.517 4.061 0 1 GIAF CCc1ccccc1C(=O)OCc1cn(-c2ccnc3cc(Cl)ccc23)nn1 103270066 XVGYIXFIFDLWNO-UHFFFAOYSA-N 392.846 4.388 0 1 GIAF Nc1nccc(-c2cn(C(=O)c3ccccc3)c3ccc(Br)cc23)n1 103297219 GJCBPZBQMNLFPA-UHFFFAOYSA-N 393.244 4.132 0 1 GIAF CCCCCCC[C@@](C)(O)/C=C/[C@H](NC(=O)OCc1ccccc1)C(=O)OC 139949382 WODFTDUWTSIUTP-OPYZQMCBSA-N 391.508 4.122 0 1 GIAF CCOc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)[nH]2)cc1 147257404 RFGJLYGASQTRGZ-UHFFFAOYSA-N 382.489 4.218 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586885857 AIAQLDFHBQLLET-BJMYLWLSSA-N 387.549 4.061 0 1 GIAF FC(F)(F)c1cnc2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 587005352 UZMQNSIOZSJKOT-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF COc1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)nn1-c1ccccc1F 587156841 SRVRZZDVHQGNNP-UHFFFAOYSA-N 378.194 4.265 0 1 GIAF Cc1ccc2nc(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)[nH]c2n1 587232671 YTEGXTHQIZLCFJ-UHFFFAOYSA-N 379.464 4.230 0 1 GIAF C[C@]1(c2cn3ccccc3n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332524 ANLBSSHZGRYBEW-FYYLOGMGSA-N 388.398 4.453 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587421800 MAVBTYNGQFSQRP-IFXJQAMLSA-N 376.330 4.103 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)[nH]c(-c4ccco4)nc1=S)[C@@H](C2)C3=O 587451592 KAVBQNQKPUBOOL-YEJXKQKISA-N 394.452 4.379 0 1 GIAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2C[C@H]1CN(Cc1ccccc1)C2 587484744 FZJLEWOSAIFPIT-ROUUACIJSA-N 377.484 4.201 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc3c(Cl)n[nH]c23)N1 587707850 XGXGMAUGVKKRFN-UOWDBTKRSA-N 395.663 4.137 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3[nH]cnc(Cl)c2-3)N1 587708730 ZVKOESJNGADNAC-UOWDBTKRSA-N 395.663 4.088 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](c3cnn(C)c3)C2(C)C)N1 587761006 SALCWJXDUZFQCU-VZMUKZCBSA-N 392.316 4.265 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2ccncc2)N1 587779507 SWZNRBNNFFZTAB-VOJFVSQTSA-N 377.257 4.006 0 1 GIAF CC(C)n1c(COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc2ccccc21 653693403 AEIZYQAAEIHWFN-SFHVURJKSA-N 395.484 4.090 0 1 GIAF CN(C)c1ccc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c(Cl)n1 961747088 FUHWSSGBRJXZAR-MRXNPFEDSA-N 392.728 4.331 0 1 GIAF Cc1ccc(C(=O)C[C@]2(c3ccco3)NCCc3ccc(F)c(C)c32)c(O)c1 962303165 VJVCFKZBBSAADG-HSZRJFAPSA-N 379.431 4.403 0 1 GIAF COC(=O)c1ccc(F)cc1-c1ccc([C@@H]2NCCc3ccc(O)cc32)cc1 963331318 YPVJQEYCAWJFRT-QFIPXVFZSA-N 377.415 4.220 0 1 GIAF O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/[C@H](O)Cc2ccc(F)cc2)cc1 1772629265 TZVFTSQQDVXJEF-UMCAXHEHSA-N 396.458 4.212 0 1 GIAF O=C(O)c1ccc2[nH]cc(CCCCN3CCN(c4ccccc4)CC3)c2c1 13582369 XWAGQFOILGMJLI-UHFFFAOYSA-N 377.488 4.011 0 1 GIAF CC[C@@H](O)c1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c(O)c12 14586039 WLTRJQPEAXRLHQ-OAHLLOKOSA-N 388.460 4.385 0 1 GIAF biogenic,in-vitro CC(C)(C)CN1CCCN(CCn2ccc3ccc(Br)cc32)CC1 22939947 RGBARDXJZPJKIT-UHFFFAOYSA-N 392.385 4.458 0 1 GIAF COC(=O)CC[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26740488 WTVISGPXDDBEIY-DEOSSOPVSA-N 386.451 4.194 0 1 GIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCOc2cc(C(F)(F)F)ccc21 28965041 LNRLQTQYVBBJBO-AWEZNQCLSA-N 376.338 4.227 0 1 GIAF Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1O)C1CCCCC1 71341298 PABSTEZRMVQWFB-NRFANRHFSA-N 380.488 4.326 0 1 GIAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2C(=O)NCC2CC2)c1 82146078 HVRACIWNHOHVBV-IRXDYDNUSA-N 378.520 4.074 0 1 GIAF CCC(=O)Nc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OC 84652083 OCSIYXMEXIHZLD-UHFFFAOYSA-N 377.238 4.059 0 1 GIAF CCC[C@@H](Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@H](CC)CN 96174988 UZUNZLBTOKJXFM-VQIMIIECSA-N 389.503 4.477 0 1 GIAF O=c1cc(SCn2cnc3c(Cl)cccc3c2=O)sc2ccccc12 96910571 RGGDJCWPTVNUFY-UHFFFAOYSA-N 386.885 4.375 0 1 GIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(C)=O 98069604 WULADFNJWJZNOF-WNCKLLFJSA-N 376.537 4.138 0 1 GIAF CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2Cl)C2=C(O)CCCC2=N1 103646555 MQGHGNFNEGKHAB-IBGZPJMESA-N 386.879 4.007 0 1 GIAF CN[C@@H](Cc1ccccc1)[C@@H]1c2[nH]c3cc(Br)ccc3c2CCN1C 138505043 GQLYEEKJRNBWHO-PZJWPPBQSA-N 398.348 4.290 0 1 GIAF CN1CCN(C2=Nc3cc(Cl)c(Cl)cc3N(C)c3cscc32)CC1 169331860 KJNXVOLPPGPCIO-UHFFFAOYSA-N 381.332 4.462 0 1 GIAF C[C@@H](N=O)c1ccc(S(=O)(=O)c2cc([C@@]3(C)COC(C)(C)O3)cs2)cc1 169713713 FLRIMLAMKYZYKH-KZULUSFZSA-N 395.502 4.406 0 1 GIAF CCCc1c(CC(=O)OCC)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989604 LYXGKNDDGWICBY-UHFFFAOYSA-N 375.424 4.210 0 1 GIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c[nH]1 587061794 YXMXOKYQQUOQSX-UHFFFAOYSA-N 393.731 4.309 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3c(Cl)c(Cl)cnc3[nH]2)C(F)(F)F)n1 587094387 QZOFREVWCBWZJM-LBPRGKRZSA-N 397.209 4.022 0 1 GIAF COC(=O)c1cc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2cn1 587149378 GPHADDPNCSEROG-LJQANCHMSA-N 395.365 4.191 0 1 GIAF CC(C)[C@@]1(Cn2cccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340499 HVXWGYUKPYECJX-RBBKRZOGSA-N 380.419 4.182 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)ccc1OC)[C@@H](C2)C3=O 587421025 ZCAXJWYUSLRAAU-LIRRHRJNSA-N 389.245 4.129 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(C)c(Cl)c1)[C@@H](C2)C3=O 587421218 UJOOSVXQSGKSIE-YCRPNKLZSA-N 385.847 4.192 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(F)c(Br)cc1F)[C@@H](C2)C3=O 587424628 QIEAKLNSGLBGEN-DYZYQPBXSA-N 381.172 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@@](CSc1nc4ccccc4[nH]1)(C1CC1)[C@@H](C2)C3=O 587449848 DJKXJIQCFHCOHZ-NYHFZMIOSA-N 392.480 4.260 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](Cc1ccncn1)(c1ccc(F)cc1)CC2=O 587466684 MCRGXAQLYGSFAD-HSZRJFAPSA-N 392.430 4.377 0 1 GIAF O=C1C[C@@](CCN2CCOCC2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587519323 YXKRYMXVOQQEDN-VWLOTQADSA-N 391.511 4.148 0 1 GIAF O=C1C[C@H](c2ccc(N3CCSCC3)nc2)Oc2c1ccc1c2CCCC1 587537550 HNLTUZNPPWETMD-HXUWFJFHSA-N 380.513 4.220 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)c2c(c1)OCO2 587550428 AMSPWYGQVXTDPP-XLIONFOSSA-N 396.782 4.477 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1ncco1 587590356 ZLBQIZXPHXDEHG-CVDCTZTESA-N 385.375 4.286 0 1 GIAF CCOC(=O)C[C@]1(C2CCCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596462 OTXZIEZPYZNRKW-NFBKMPQASA-N 396.439 4.236 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc([C@@H]2CCCO2)s1 587616025 YOYFTQFPEOKOLH-RIFZZMRRSA-N 395.436 4.403 0 1 GIAF O=C(c1cccc2cccnc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659894 IRBOJENGGGIZQJ-UHFFFAOYSA-N 395.393 4.439 0 1 GIAF CC(=O)Nc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587741756 IGGVLLGKPHDUTC-MLCYQJTMSA-N 377.257 4.170 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cc(N)ccc32)N1 587744223 GKIKOBPZMPUZFE-JEOXALJRSA-N 375.285 4.285 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)OCCCO3)N1 587833927 ITLAAHJKKCPJAQ-JEOXALJRSA-N 392.268 4.373 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc4c(c32)CCO4)N1 587834244 KKBWAZYFBSIKLE-GIPWTMENSA-N 388.280 4.247 0 1 GIAF COc1nc(Cl)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587850762 FMXNAYMBQMPAHE-KBUNVGBDSA-N 391.693 4.330 0 1 GIAF COc1cccc(-c2cc(O)n(NCc3ccccc3Br)c2O)c1 587940519 LKECRJQBPSTFKM-UHFFFAOYSA-N 389.249 4.081 0 1 GIAF COC(=O)C(=O)C[C@@]1(c2ccc(C)cc2)NCCc2cc(-c3ccccc3)ccc21 962657356 AZSGNRZBLSVNRS-SANMLTNESA-N 399.490 4.184 0 1 GIAF CN[C@@H](C)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@]35CC[C@]12C 2356329294 AUNTULGWYMQHON-VCNBDGLVSA-N 388.640 4.332 0 1 GIAF CC(=O)O[C@@H]1[C@@H](O)c2c(C)coc2CC(C)=CCC[C@H](C)[C@H]2CC[C@@]1(C)O2 2356786417 AQUCDLLZQHHABV-IUKAEIGHSA-N 376.493 4.410 0 1 GIAF c1ccc(C(CCc2nc(CCNCCc3cnc[nH]3)c[nH]2)c2ccccc2)cc1 13530305 IECPJVGHHUNYNJ-UHFFFAOYSA-N 399.542 4.272 0 1 GIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3ccc(C(C)=O)cc3)cc2)C[C@@H]2CC[C@H]1N2C 29477593 QOGDDOWLBRAWFT-WBADGQHESA-N 377.484 4.296 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 33820815 BSNCZSKCISVTHY-DNMQWNDWSA-N 390.564 4.398 0 1 GIAF c1ccc(Sc2ncnc3c2ncn3[C@@H]2COc3ccccc3CO2)cc1 40393348 YHOMQVWHSJQNAS-KRWDZBQOSA-N 376.441 4.085 0 1 GIAF CC(C)c1nc2c(NCc3cccc(F)c3)ncnc2n1CCc1ccccn1 82184651 UEUVXJWNVBNSPO-UHFFFAOYSA-N 390.466 4.339 0 1 GIAF Cc1nn(C)c(Oc2ccccc2F)c1C(=O)N1CCCC[C@@H]1c1cccnc1 95588396 AIXYWFIHNYBJKB-GOSISDBHSA-N 394.450 4.422 0 1 GIAF COC(=O)c1sc2nc(C)ccc2c1Nc1cc(OC)c(OC)c(OC)c1 95591305 RYOSTPSVVVEQJR-UHFFFAOYSA-N 388.445 4.161 0 1 GIAF NCc1ccc(-n2c(-c3cccnc3N)nc3ccc(-c4ccccc4)nc32)cc1 118231555 JAARXSVCUDUSTR-UHFFFAOYSA-N 392.466 4.190 0 1 GIAF Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2c(F)cccc2F)s1 142566068 AUYRYTZDJKXZCJ-UHFFFAOYSA-N 388.321 4.093 0 1 GIAF c1ccc(-c2csc3[nH]nc(N4CC[C@H](COCCN5CCCC5)C4)c23)cc1 147607439 XGLWIFWMFLHMDS-KRWDZBQOSA-N 396.560 4.230 0 1 GIAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@@H]1c1ccc(F)cc1Cl 169723993 JDESMLBZOPKIKC-NVXWUHKLSA-N 395.858 4.442 0 1 GIAF Oc1nc(CCCCN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc12 299871561 YQRMDYPCLYFDTI-UHFFFAOYSA-N 396.922 4.134 0 1 GIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 587041844 FYZGNXXVWWTBHY-LBPRGKRZSA-N 398.797 4.286 0 1 GIAF NC(=O)c1cccc2nc(-c3cc(Cl)cc(-c4ccc(CO)cc4)c3)[nH]c12 587068056 XGYFEAOXCYKKNT-UHFFFAOYSA-N 377.831 4.142 0 1 GIAF C[C@H](c1nc2ccc(CCO)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129487 LIMFKEDCOMDHFD-SSDOTTSWSA-N 390.768 4.432 0 1 GIAF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cccnc3[nH]2)cc1 587166028 QQPWIYCGDPIIHH-UHFFFAOYSA-N 384.418 4.434 0 1 GIAF CC1=C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2cc(Br)ccc2O1 587374033 WOEZPVLQZWBIBG-LJQANCHMSA-N 386.245 4.497 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OC[C@H]1CCCO1)O2 587375872 AEUPVSXQEDGACX-VLIAUNLRSA-N 387.863 4.495 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(OC(F)(F)F)ccc1OC)[C@@H](C2)C3=O 587419459 CGBKDLDMKZPSGX-SCLBCKFNSA-N 380.318 4.091 0 1 GIAF COc1cc2c3c(c1)O[C@@](C(=O)O)(c1ccc(-c4ccccc4)cc1)[C@@H](C2)C3=O 587447020 JYTQBTKKGKLEAN-CYFREDJKSA-N 386.403 4.090 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)Nc2c(Cl)cc(Cl)cc21 587463245 UICAKHMVSVCWML-LJQANCHMSA-N 392.238 4.464 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1cc3c(cc1N)OCCO3)CC2=O 587473568 XUJYBQJIQTVSTA-HSZRJFAPSA-N 397.471 4.359 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCN(c3ccccc3OC)CC1)CC2=O 587477202 WJXIMBUZSZQVOY-UHFFFAOYSA-N 381.472 4.358 0 1 GIAF C[C@@]1(c2ccc(N3CCOCC3)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587533537 WSZMOIWUUCLVHS-QFIPXVFZSA-N 383.513 4.344 0 1 GIAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC[C@H]1CO1 587535918 PDNXFNXDRAACJI-MZNJEOGPSA-N 394.467 4.232 0 1 GIAF COc1ccccc1-c1cc(O)n([C@@H](COc2cc(F)cc(F)c2)N=O)c1O 587946684 YYIZRVQRQIMZQJ-KRWDZBQOSA-N 390.342 4.197 0 1 GIAF COc1cc2c(cc1OC)[C@H](C1CCN(c3cccc(C)n3)CC1)N(C)[C@@H](C)C2 962628245 LQDKBVCDDMSOEI-XDHUDOTRSA-N 395.547 4.241 0 1 GIAF COc1ccc2c(c1OC)[C@@](CC(=O)C(F)(F)F)(C(C)(C)C)N(C)[C@H](C)C2 962640664 RPHAFPDQEJNKCY-BLVKFPJESA-N 387.442 4.343 0 1 GIAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cc3ccccc3c(C=O)c1Cl)NCC2 962924424 KAMFQHKUUAAJHK-JOCHJYFZSA-N 392.886 4.243 0 1 GIAF CCc1noc(C)c1[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962964091 ZGATXWJTXJFGMP-IBGZPJMESA-N 394.437 4.479 0 1 GIAF CCCN1[C@@H](C)Cc2ccccc2[C@]12C=CN(CC(=O)O)c1c(F)cc(F)cc12 963244357 WFXINXQROUFDJR-WNSKOXEYSA-N 398.453 4.283 0 1 GIAF CCCN(CCCCOc1ccn2nccc2c1)[C@@H]1CCc2c(O)cccc2C1 1772581107 IWAHIMCMPBOXKG-HXUWFJFHSA-N 393.531 4.468 0 1 GIAF CC(C)[C@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O 1857535229 TZGRGSUVKBRDCV-HSZRJFAPSA-N 392.543 4.152 0 1 GIAF CCCN1CCC(c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CC3)CC1 1857589389 HXAVSZOPACOYAR-UHFFFAOYSA-N 384.545 4.027 0 1 GIAF CC[C@@]1(C)C[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@](C(=O)OC)(C2)[C@]31C 2356331206 YGRJGDBMLTZRLL-GWGMASDLSA-N 396.531 4.044 0 1 GIAF COc1cc(OC)c([C@H]2CCCc3cc(OC)c(OC)c(OC)c32)cc1OC 2356664484 WWCBCIRRNKHDOI-CQSZACIVSA-N 388.460 4.206 0 1 GIAF CC=C(C)[C@H](O)[C@H](C)C=C(C)C=CCC(C)=CCC(=O)N[C@@H](C)CC(=O)O 2356792232 JMBXBCXKUSIETJ-DXIQSLLYSA-N 377.525 4.158 0 1 GIAF CCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(C)s2)cc1 1368491 WNFSQCKBHXJRHC-UHFFFAOYSA-N 386.517 4.161 0 3 GIAF O=C(NC1CCCC1)[C@@H](c1ccncc1)N(C(=O)c1ccco1)c1ccccc1 1380019 OHJYBNJZPNCVAY-OAQYLSRUSA-N 389.455 4.122 0 3 GIAF C[C@@]1(c2nnc(-c3ccncc3)o2)CC(c2c(Cl)cccc2Cl)=NO1 13478326 QNAJKBNKOMOVAK-KRWDZBQOSA-N 375.215 4.478 0 3 GIAF Cc1ccc(CNC(=O)[C@@H]2CCCN(c3nc4ccccc4n4cccc34)C2)cc1 6782626 FIYGXSDDSFXERH-HXUWFJFHSA-N 398.510 4.329 0 1 GIAF CN(CCCCc1c[nH]cn1)C(=O)C[C@H](c1ccc(Cl)cc1)c1ccccn1 13490231 ZXXVRXKRXSJBCZ-HXUWFJFHSA-N 396.922 4.461 0 1 GIAF Cc1ccccc1/C(=C/OCCN1CCC=C(C(=O)O)C1)c1ccccc1F 13800083 FWBPFHQSHFUAPS-PGMHBOJBSA-N 381.447 4.257 0 1 GIAF N[C@H]1CN(c2ccnc(-c3ccsc3)n2)C[C@@H]1c1ccc(Cl)cc1Cl 14958714 PJWKDMOHPZSOHK-ZBFHGGJFSA-N 391.327 4.443 0 1 GIAF CCN(CC)[C@@H](C)c1cccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)c1 28340131 YSIMPMRBLCPSEO-OYHNWAKOSA-N 383.488 4.293 0 1 GIAF Cc1nc2ccc(CSC(=S)NC34CC5CC(CC(C5)C3)C4)cc2c(=O)[nH]1 28341396 KUAJNSMXLFXOLB-UHFFFAOYSA-N 399.585 4.308 0 1 GIAF Cc1cc(N2CCN(C(=O)Nc3ccc(C(C)(C)C)cc3)CC2)nnc1Cl 28394091 JQFMPPPPZICBEC-UHFFFAOYSA-N 387.915 4.090 0 1 GIAF CCN1CCc2ccc3c(C(=O)O)c(O)c(Cc4ccc(Cl)cc4)nc3c2C1 35087124 PFMZQUMVKHODQW-UHFFFAOYSA-N 396.874 4.261 0 1 GIAF N[C@H]1CN(c2ccnc(-c3ccsc3)n2)C[C@H]1c1ccc(Cl)cc1Cl 36310957 PJWKDMOHPZSOHK-HOCLYGCPSA-N 391.327 4.443 0 1 GIAF CC(C)[C@@H]1CC[C@@]2(C)CC[C@H](O)[C@@](C)(O)[C@@H]2[C@@H]1OC(=O)/C=C/c1ccccc1 36374578 BYIDNKQJXAGYPI-ULGXZQJGSA-N 386.532 4.206 0 1 GIAF CCc1ccccc1[C@H]1CC(c2cccc(Br)c2)=NN1C(N)=S 40828515 USWRZWKFRUXAHL-QGZVFWFLSA-N 388.334 4.406 0 1 GIAF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCC1CCCCC1 82088026 UTRXEHMXDHVECW-IBGZPJMESA-N 399.560 4.261 0 1 GIAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)C1 82140791 OEMRIFYMRKKLQK-IAGOWNOFSA-N 396.510 4.391 0 1 GIAF C=CC(=O)Nc1cccc(Oc2nc(Nc3ccccc3OC)ncc2F)c1 143747112 XSYRRKUEQTWUCQ-UHFFFAOYSA-N 380.379 4.285 0 1 GIAF Cc1cccc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1C 144717852 HAWFXGDPKAAVMT-UHFFFAOYSA-N 387.531 4.143 0 1 GIAF CCO[P@](=O)(CC)c1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1 169346823 JAOYQONKKWYRTM-HHHXNRCGSA-N 382.404 4.429 0 1 GIAF Oc1cc(Sc2ccc(Cl)cc2)c(O)n1-c1ccc2c(c1)OCCO2 169686806 PCDMTWRNQYJFQU-UHFFFAOYSA-N 375.833 4.464 0 1 GIAF COc1cc2c(c(OC)c1)[C@H](c1cc(Br)ccc1F)CC(=O)N2 219428610 OYTDVLBECOZSSQ-LBPRGKRZSA-N 380.213 4.080 0 1 GIAF Cc1csc(Nc2cc(Cc3ccccc3)nc(N[C@H]3CC[C@H](O)CC3)n2)n1 261154216 POHQXGUUOCVURL-SAABIXHNSA-N 395.532 4.291 0 1 GIAF O=C(O)C[C@@H](NC(=O)c1cncc(Cl)c1)c1ccc(-c2ccccc2)cc1 261173936 UJFIVDUBIZAVEY-LJQANCHMSA-N 380.831 4.348 0 1 GIAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(F)cc2[nH]1 586934866 BMWFZMOEDPKNEA-MRXNPFEDSA-N 381.860 4.031 0 1 GIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Cl)nc(Cl)c2[nH]1 586973426 OENWNJCKJFEXOL-CYBMUJFWSA-N 395.315 4.375 0 1 GIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(C(C)(C)C)nc2[nH]1 586974050 UGPCOHPSCOCCRF-KRWDZBQOSA-N 382.533 4.366 0 1 GIAF CCOC(=O)[C@@H]1CCc2nc3ccc(O)c4c3c(c2[C@H]1C)-c1ccccc1C4=O 586989218 BNLZAYJIEKBGOJ-QWHCGFSZSA-N 387.435 4.381 0 1 GIAF FC(F)(F)c1ccn(Cc2cc(-c3nc4c(ccc5ncccc54)[nH]3)no2)n1 587117912 HQGWYEOZQXAZND-UHFFFAOYSA-N 384.321 4.030 0 1 GIAF Cc1cc(Br)cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 587173375 ZDRMQKFYRNWCSC-SFHVURJKSA-N 389.224 4.401 0 1 GIAF CN(C)/C=C\c1nc(O)c(Br)cc1-c1cc2c3c(cccc3n1)CC2 587208548 UKSWFQXAUJEGHF-HJWRWDBZSA-N 396.288 4.396 0 1 GIAF O=C(NCCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)OCc1ccccc1 587228069 HOVQLFCCGIUSLB-UHFFFAOYSA-N 399.450 4.263 0 1 GIAF Nc1cccc(O)c1-c1nc2c(Br)ccc(Br)c2[nH]1 587249803 KAXRPNKXQCKTJX-UHFFFAOYSA-N 383.043 4.043 0 1 GIAF CC(C)(C)[C@H](N)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587259622 YDHUQAKCVPIGDV-MRXNPFEDSA-N 392.912 4.063 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cc(Br)ccc1OC)[C@@H](C2)C3=O 587421024 ZCAXJWYUSLRAAU-IFXJQAMLSA-N 389.245 4.129 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1c(F)ccc(F)c1C(=O)O)CC2=O 587465389 IAYFUNXEASROTK-FQEVSTJZSA-N 376.355 4.202 0 1 GIAF CCOC(=O)c1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614848 VLDAPISGINLZIA-QFBILLFUSA-N 396.420 4.333 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2C(=O)C(F)F)N1 587722046 XTLAOARFRHRFPR-BHOZQUNFSA-N 390.243 4.342 0 1 GIAF COc1cc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587722398 YSRFOGGBOKDLGZ-CQLKUDPESA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=COc3ccc(F)cc32)N1 587734914 SOXCZLRVIFDFGI-MLCYQJTMSA-N 378.216 4.411 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3nc(F)ccc23)N1 587738508 OYUNILWTXHHBIH-ZKANADHPSA-N 378.220 4.227 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](C)N(C)C)N1 587744437 ZXGCYGJIGKUYJC-JZKQVHKSSA-N 391.328 4.316 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-n2cccn2)N1 587756715 FCYZKDJWLYXGNR-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(Cc3ccco3)CC2)N1 587769793 QKROXAIEJVPWDK-CYBMUJFWSA-N 393.300 4.207 0 1 GIAF CCCCCOc1cc2nc(COCCOCC)[nH]c2cc1Br 587777842 DASVCFWDMMZARS-UHFFFAOYSA-N 385.302 4.448 0 1 GIAF CC(=O)COc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587796317 UBFVWCHVHJJHNU-WYRIXSBYSA-N 392.268 4.180 0 1 GIAF COc1cccc(OC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587803126 WNMJPPJXSCRLTP-BZNIZROVSA-N 380.257 4.251 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccccc1C 587868391 KBEGTNUOVRWVHW-UHFFFAOYSA-N 376.338 4.361 0 1 GIAF CCCc1c(-c2nc(-c3ccc([C@H](O)CN)cc3)no2)noc1-c1ccccc1 1857574054 VGOJUAZBTMIFKA-GOSISDBHSA-N 390.443 4.003 0 1 GIAF O=C(CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)c(F)c1 1857637406 UMZJSRRUHAKPBC-UHFFFAOYSA-N 398.375 4.379 0 1 GIAF CCN(C)c1nc(N(C)C2CCN(Cc3ccccc3)CC2)nc2ccsc12 1911585241 VKHBSKYCXQXGAR-UHFFFAOYSA-N 395.576 4.248 0 1 GIAF COc1ccc(NC(=O)[C@@H]2CC=C[C@@H]3CCN(C4CCCCC4)C(=O)[C@@H]32)cc1 12478681 ZOHWFCHPLVFWNJ-HBGVWJBISA-N 382.504 4.007 0 3 GIAF CC[C@@H](CO)Oc1cc(NC(=O)c2ccc(OC)cc2)c2ncn(C(C)C)c2c1 61949026 HPNYNVKWSWPNND-INIZCTEOSA-N 397.475 4.028 0 3 GIAF COc1cc([C@H]2CN=C(c3ccc4c(c3)cc(C)n4C)O2)cc(OC)c1OC 587638 KLNYYFCLIWJVBQ-HXUWFJFHSA-N 380.444 4.031 0 1 GIAF O=C(CCc1ccccc1)N[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21 13455286 MYQLWUQXVQMOCY-JKSUJKDBSA-N 393.270 4.052 0 1 GIAF COc1ccc(Br)cc1-c1ncc(CN(C)Cc2ccccc2)[nH]1 13741823 YKVTZFFXVZWIDK-UHFFFAOYSA-N 386.293 4.480 0 1 GIAF CC(C)Nc1nc2ccc(Cl)cc2n2c(C(F)(F)C(F)(F)F)nnc12 26295767 ABXBWLHLNNKNIO-UHFFFAOYSA-N 379.720 4.405 0 1 GIAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2ccccc2[C@H]1CN1CCC1 26578402 WDTVJLFYPVLUMW-HXUWFJFHSA-N 389.326 4.368 0 1 GIAF CSc1nc(Nc2ccc(I)cc2)c2cccnc2n1 27654699 WQXJTEAJSZLAKD-UHFFFAOYSA-N 394.241 4.095 0 1 GIAF Cc1cc(NC(=O)C(=O)c2cn(Cc3cccs3)c3ccccc23)sn1 29407769 BJPYIJYNRYNRIK-UHFFFAOYSA-N 381.482 4.337 0 1 GIAF C[C@@H](COC(=O)[C@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12)O[N+](=O)[O-] 40974712 IIOBHBNTLZNXBM-WDEREUQCSA-N 376.796 4.218 0 1 GIAF C[C@H]1CCCN(CCc2cccc3[nH]cc(S(=O)(=O)c4ccccc4)c23)C1 45389328 JBNMIXNIEIEPSS-KRWDZBQOSA-N 382.529 4.275 0 1 GIAF in-vitro COc1cc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(C)=O)cc(OC)c1OC 64379355 VLRBLVJQAIUFDS-QGZVFWFLSA-N 388.851 4.063 0 1 GIAF CC1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2)CC1 82133346 AGKJYOSAYKTCOY-RTBURBONSA-N 392.547 4.498 0 1 GIAF COc1ccc(C(=O)Nc2ccc(F)cc2)cc1C(=O)Nc1ccc(F)cc1 95577880 YJBQFPHWZQPRPH-UHFFFAOYSA-N 382.366 4.478 0 1 GIAF CCO[C@H](COc1ccc2cc(Br)ccc2c1)Cn1ccnc1 96903451 GLDMNUXTXLCMAB-SFHVURJKSA-N 375.266 4.283 0 1 GIAF NC(=O)c1ccc2nc(-c3ccc(Oc4ccc(Cl)cc4O)cc3)[nH]c2c1 136803131 DQFBXMPFRTWEOC-UHFFFAOYSA-N 379.803 4.480 0 1 GIAF COC(=O)c1cc(-c2ccccc2)cnc1N1CCC(NC2CCCCC2)CC1 169304017 MDODOPYZNCQUIH-UHFFFAOYSA-N 393.531 4.426 0 1 GIAF CN1C(=O)CCc2c(NC(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)cccc21 169704958 QLRXWFZBURBKFL-NVXWUHKLSA-N 381.451 4.193 0 1 GIAF Cc1cccc([C@H](CC(=O)O)NC(=O)c2cccc(-c3ccccc3F)n2)c1 261107432 HQMOUMCFICCFGW-FQEVSTJZSA-N 378.403 4.142 0 1 GIAF O=C(Nc1cc(Cl)ccc1Cl)C1(C(=O)N2CCNc3ccccc32)CC1 299831414 PRBFZBLETRVXON-UHFFFAOYSA-N 390.270 4.171 0 1 GIAF O=C(CNCCc1ccccc1O)N1CCc2ccccc2[C@@H]1C1CCCCC1 299832703 KFXUEXNAZJFJDS-VWLOTQADSA-N 392.543 4.231 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586898588 POTAPKZHDWCYOQ-UHFFFAOYSA-N 378.453 4.396 0 1 GIAF COc1cc(N)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(OC)c1 586987682 QJVGRLIYWUTRKM-UHFFFAOYSA-N 398.418 4.418 0 1 GIAF Cc1noc([C@@H]2CCc3nc4ccc(O)c5c4c(c3C2)-c2ccccc2C5=O)n1 586989436 IQUXALHCVUXWJH-GFCCVEGCSA-N 383.407 4.116 0 1 GIAF COC(=O)c1cc2[nH]c(-c3ccc(OC)cc3C(F)(F)F)nc2cc1OC 587097563 LCPZSBMEZDJFER-UHFFFAOYSA-N 380.322 4.053 0 1 GIAF Cc1nn(CCC(=O)O)c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105150 QJSJCYFBZQRCRJ-UHFFFAOYSA-N 397.434 4.401 0 1 GIAF COC(=O)Nc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 587244114 WXCZQDSBXCNODE-UHFFFAOYSA-N 382.164 4.449 0 1 GIAF Cc1ccc([C@@]2(CO)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587351699 JGTGFZGSGBMTQD-JTHBVZDNSA-N 378.399 4.086 0 1 GIAF NC(=S)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377055 QJRSFMXEXSXPSE-SIKLNZKXSA-N 393.439 4.072 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCCOc4cc5c(cc41)CCCC5)[C@@H](C2)C3=O 587453010 NBMFXTGERQLRAM-CYFREDJKSA-N 376.452 4.390 0 1 GIAF Cc1cccc(OCc2nc3cccc(I)c3[nH]2)c1C 587563337 CCYWNIRPUSAGOC-UHFFFAOYSA-N 378.213 4.363 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCc1c2ccc(F)c1F 587571582 QOIRDIZIYUILIM-AVRDEDQJSA-N 380.346 4.474 0 1 GIAF C[C@]1(c2ccc(-n3ccnc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577066 LUVAFIHEXVIXMN-XUZZJYLKSA-N 398.418 4.455 0 1 GIAF Cc1ccnc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c1 587623579 WVFKUDRDPFBQAF-UHFFFAOYSA-N 384.237 4.071 0 1 GIAF COc1ccc(OC)c(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)c1 587638546 NFKKJQBGVSSFQL-UHFFFAOYSA-N 393.317 4.295 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(C(F)F)c(C(=O)c3ccc(Cl)cc3)c2c1 587648951 DQMGWQLVGDJXSR-UHFFFAOYSA-N 383.803 4.393 0 1 GIAF COc1ccc(Cn2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1OC 587661254 VOMKABHRDLRKCK-UHFFFAOYSA-N 390.414 4.268 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCNc3nc(Cl)ccc32)N1 587707202 UPZIUMOERIVBLD-VVVCHXIZSA-N 396.691 4.230 0 1 GIAF Cc1cc2c(cc1[C@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCO2 587836858 XZHHMUGGWOFHRP-MLCYQJTMSA-N 378.241 4.249 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Cl)ccn1 587861271 QABDPPOGHGRPIS-UHFFFAOYSA-N 381.741 4.314 0 1 GIAF Cc1ncc(-n2c(CCC(=O)O)ccc2-c2ccccc2)nc1Br 587939263 CVPVRBSPQDWHML-UHFFFAOYSA-N 386.249 4.022 0 1 GIAF CCOC(=O)CCCOc1cccc2cc(-c3cn4nc(CC)sc4n3)oc12 653765004 XPQCTFQDFVGKDO-UHFFFAOYSA-N 399.472 4.489 0 1 GIAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)on2)C1 1772642034 OJJOZVPZMYOMCU-CYBMUJFWSA-N 399.834 4.079 0 1 GIAF O=C(NCCc1c[nH]c2ccc(Br)cc12)c1ccc(Cl)cc1O 1857613933 SFNOQHAGCOZPGL-UHFFFAOYSA-N 393.668 4.262 0 1 GIAF CC(=CCC[C@@]1(C)Oc2c(C=O)c(C)cc(O)c2C[C@H]1O)CCCC(C)(C)O 2356325419 XNGJIAMDQGOCBU-NFBKMPQASA-N 390.520 4.235 0 1 GIAF CCO[C@@H]1c2c(ccc(OC)c2OC)C=C2c3cc(OC)c(OC)cc3CCN21 2356800266 PWKCFIKSKKSYNR-HSZRJFAPSA-N 397.471 4.126 0 1 GIAF Cc1ncc(CN2CCC[C@H](CCC(=O)NCc3ccc(F)c(F)c3)C2)s1 13596415 XACGZMYUNRJKIC-OAHLLOKOSA-N 393.503 4.038 0 3 GIAF COc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3OC)[nH]n2)cc1OC 61925490 FPRUQNQUKGICHX-UHFFFAOYSA-N 387.823 4.008 0 3 GIAF COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c2c1OC(C)(C)C=C2 15148523 SQBVRNCDBATODN-UHFFFAOYSA-N 378.380 4.382 0 1 GIAF biogenic O=S1N=C(NCCCc2ccccc2)C(Nc2cc(Cl)cc(Cl)c2)=N1 26284430 NTNQJSDPNMGSKU-UHFFFAOYSA-N 395.315 4.017 0 1 GIAF Nc1nc(-c2ccc(Br)o2)c2c(n1)-c1cc(N3CCCC3)ccc1C2 28136619 RHFROKHNKSXOLK-UHFFFAOYSA-N 397.276 4.253 0 1 GIAF CCCC(=O)O[C@@H]1CCCC[C@@H]1Cc1ccc(OCCNC(=O)OCC)cc1 28959474 PHHYXISIQPVOBX-UYAOXDASSA-N 391.508 4.256 0 1 GIAF O=C(N[C@@H]1Cc2ccc(F)cc2[C@H]1O)c1cc2sc(Cl)c(Cl)c2[nH]1 36177550 LKYXKTBZJHVQIR-YMTOWFKASA-N 385.247 4.063 0 1 GIAF CC1(C)[C@@H]2CC[C@]13CCN(CCN1CCN(c4cccc(Cl)c4)C1=O)[C@H]3C2 45244846 BLMDJHOZZKURJN-GTCCEBARSA-N 387.955 4.483 0 1 GIAF CCCCCC(=O)Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12 49112526 VBPFFNMUFRTXON-UHFFFAOYSA-N 392.419 4.090 0 1 GIAF CC[C@@H]1C(=O)C[C@@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@H]1c1ccccc1 71317518 UWPNKBCSKDRBJI-DPLHUUCSSA-N 387.483 4.193 0 1 GIAF OCCCNc1nccc(-c2c(-c3ccc(F)cc3)nn3cc(Cl)ccc23)n1 73278187 IVMJWNKZHWPDDU-UHFFFAOYSA-N 397.841 4.045 0 1 GIAF CCOC(=O)[C@H]1Cc2ccccc2CN1C(=O)Oc1cccc(C(F)(F)F)c1 84758107 IWPQJUZGXFBNGP-QGZVFWFLSA-N 393.361 4.194 0 1 GIAF CCN(C(=O)c1ccccc1OCc1ccccc1)[C@@H]1CCC[C@H](NC(C)=O)C1 96940036 YZCWVMXETCZINF-LEWJYISDSA-N 394.515 4.175 0 1 GIAF O=C(Nc1c(F)cccc1F)C1=C(O)CCn2c1nc1c(Cl)cccc12 100018455 LXCPBQZYAXSKBH-UHFFFAOYSA-N 375.762 4.279 0 1 GIAF Oc1nc2c(c3nc(-c4ccccc4F)cn13)CN(CC1CCCCC1)CC2 100928844 MNLXGBVUKOEYDJ-UHFFFAOYSA-N 380.467 4.179 0 1 GIAF COc1ccc(-c2cc(=O)n3nc(C(F)(F)F)c(-c4ccccc4)c3[nH]2)cc1 101404861 OWULANHXEZOICN-UHFFFAOYSA-N 385.345 4.384 0 1 GIAF O=C(Nc1ccc(F)c(F)c1)c1cnn2c1NC(=C1CC1)C=C2C(F)(F)F 102912341 ZOPRAITYHAXVHL-UHFFFAOYSA-N 382.292 4.290 0 1 GIAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(Cl)cc1Oc1ccc(F)cc1F 143205173 UTKZKXRKSFATLD-UHFFFAOYSA-N 376.746 4.351 0 1 GIAF CCOC(=O)[C@@H]1C(COc2ccc(C)cc2)=NC(=O)N[C@@H]1c1cc(C)ccc1C 169689312 ALJSTBWIVVGXTC-NHCUHLMSSA-N 394.471 4.075 0 1 GIAF CCOC(=O)C1=C(c2ccc(F)cc2)N=C(C)[C@@H](C(=O)SCC)[C@H]1CC 169721237 BUXRJNSRGYWWBC-HZPDHXFCSA-N 377.481 4.497 0 1 GIAF O=C1Cc2nc3ccc(O)c4c3c(c2[C@H](c2ccco2)C1)-c1ccccc1C4=O 586991255 LXQDEORDHLEGJR-HNNXBMFYSA-N 381.387 4.392 0 1 GIAF Clc1cncc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 586999668 AENCEWHHCWVRGK-UPHRSURJSA-N 392.640 4.315 0 1 GIAF COc1cc(OC)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 587012959 PGPWIXCYMFIXAL-UHFFFAOYSA-N 380.267 4.344 0 1 GIAF CCc1ccc(-c2nc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)cs2)cc1 587016049 NUGWDWAPPPYHKO-UHFFFAOYSA-N 385.470 4.163 0 1 GIAF CCc1cc(OCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)ccc1Cl 587052872 QSHTZAWFMXNZIN-UHFFFAOYSA-N 396.878 4.113 0 1 GIAF O=C1CCc2cc3nc(-c4ccccc4C(=O)c4ccc(F)cc4)[nH]c3cc2N1 587161975 ADCBTDUBKHKMIT-UHFFFAOYSA-N 385.398 4.485 0 1 GIAF COc1cc(OC)c2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc2c1 587203971 SIZBRNSGTRSVFI-UHFFFAOYSA-N 396.447 4.097 0 1 GIAF COc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c(O)c1 587398282 DRQURKOJEDLNQW-QHCPKHFHSA-N 375.424 4.200 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)ncc1Br)CC2=O 587458467 JJPYDPWFESMMFE-INIZCTEOSA-N 392.249 4.217 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H](C(F)(F)C(=O)OCC)C1)CC2=O 587463343 XJMUROTYJKRXBP-BUXKBTBVSA-N 382.403 4.047 0 1 GIAF O=C(O)c1cccc2c(N3C(=O)c4ccccc4C3=O)c(-c3ccccc3)[nH]c12 587638222 DFNMWZZURBSUFG-UHFFFAOYSA-N 382.375 4.334 0 1 GIAF CC(C)(Oc1ccc(Cl)cc1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651328 HEGGYIDBAXBZRY-UHFFFAOYSA-N 377.227 4.201 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)nc2C(C)(C)C)N1 587765221 RVPDJGOWFFALIT-QLJPJBMISA-N 380.305 4.243 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CCC(=O)[C@]3(C)CC2)N1 587831270 WWIBUNIVRHWJRW-CXWAGAITSA-N 378.285 4.407 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2csc(C(=O)O)c2)N1 587844955 CSMDVULWJDOQOF-BCTVWOGZSA-N 384.270 4.146 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(CC(=O)O)cs2)N1 587848298 NNRVSGYTVFCGGV-HUTHGQBESA-N 398.297 4.075 0 1 GIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587962882 KNOTZUYTGLGVRR-HTQZYQBOSA-N 391.187 4.382 0 1 GIAF C[C@H]1CCC[C@]2(C1=O)c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961773062 CYLATDQNPMKMSK-NPMXOYFQSA-N 384.520 4.422 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1coc2cc(C)c(C)cc2c1=O 963632620 GELFOBWQTLEDPX-JLCFBVMHSA-N 379.456 4.051 0 1 GIAF CNC(=O)[C@H]1CC=C(c2[nH]c3nccc4c3c2CN(C)c2ccc(F)cc2-4)CC1 1772642397 PEPUACRGCGHXIU-AWEZNQCLSA-N 390.462 4.248 0 1 GIAF COC(=O)c1ccc(OCCNC(=O)OC(C)(C)C)c(-c2ccc(F)cc2)c1 1857556333 HEGZMPKBDJGCLS-UHFFFAOYSA-N 389.423 4.183 0 1 GIAF CCCCCC(=O)CC[C@H]1[C@H](CC=CCCCC(=O)OC(C)C)[C@H](O)C[C@H]1O 2356477791 HMEIMGKBZAEAEM-FNAHDJPLSA-N 396.568 4.342 0 1 GIAF O=c1cc(-c2ccccc2)oc2cc(Oc3nnnn3-c3ccccc3)ccc12 1646898 AVXWNBOPCKZEEY-UHFFFAOYSA-N 382.379 4.228 0 1 GIAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(=O)O 3811870 VKJGCWRFKHGFHT-YNNPMVKQSA-N 380.481 4.225 0 1 GIAF COc1ccc([C@H]2CC(=O)[C@H]3C(=Nc4ncnn4[C@@H]3c3ccccc3C)C2)cc1 6498675 OTESNLJUGSNVQZ-NPFVIJTESA-N 386.455 4.034 0 1 GIAF CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1ncccc1C=O 13832849 QIYZYCHTRXUKCO-UHFFFAOYSA-N 398.470 4.158 0 1 GIAF COc1ccc(CC(=O)N[C@@H](CCN(C)C)c2ccc3ccccc3c2)cc1 28654029 SYDWSPRQZNMSQS-QHCPKHFHSA-N 376.500 4.200 0 1 GIAF O=C(O)c1ccccc1[C@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708217 TWUUONUASYAYNH-QHCPKHFHSA-N 387.479 4.458 0 1 GIAF CC(=O)Nc1ccc(-c2nc3n(c2-c2ccc(NC(C)=O)cc2)CCS3)cc1 34079717 AEWSTPHDURNJOY-UHFFFAOYSA-N 392.484 4.240 0 1 GIAF S=c1[nH]c2ccc(OCCN3CCN(c4ccccc4Cl)CC3)cc2[nH]1 52716767 ZWCZAPMNJINBCG-UHFFFAOYSA-N 388.924 4.080 0 1 GIAF NCc1occc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21 66264056 GIRXCLXKZAXSDM-HXUWFJFHSA-N 387.487 4.089 0 1 GIAF COc1cc(C(=O)c2ccc3c(Cl)c(OC)ccc3n2)cc(OC)c1OC 73224914 QQGPZELARCBPGA-UHFFFAOYSA-N 387.819 4.154 0 1 GIAF Cc1cc(C2=C[C@@H](c3ccc(Cl)cc3)N(C(=O)c3ccncc3)N2)ccc1O 103197744 HFVZCBUOZYQAIU-FQEVSTJZSA-N 391.858 4.492 0 1 GIAF C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 255257464 OZHBCCBNHOZTLX-JNLRYJQBSA-N 390.564 4.398 0 1 GIAF COc1ccc(-c2ncn(-c3cc(C)ccc3NC(=O)Cc3ccccc3)n2)cc1 299840797 WFRMZJFVYDBEAO-UHFFFAOYSA-N 398.466 4.433 0 1 GIAF CN(Cc1ccccc1)C(=O)C[C@@H](CO)c1ccc(OCc2ccccc2)cc1 473153337 ANDVVYCTFKXKOA-QHCPKHFHSA-N 389.495 4.390 0 1 GIAF Clc1ncc2nc(COc3ccc4ccccc4c3Br)nc-2[nH]1 587002061 SKJAOSSHOKZDAK-UHFFFAOYSA-N 389.640 4.453 0 1 GIAF Fc1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587002999 ZTNAFLJIFUSCGX-SNAWJCMRSA-N 375.197 4.406 0 1 GIAF Nc1cc2nc(-c3cccc(N=c4[nH]c(-c5ccccn5)cs4)c3)[nH]c2cc1N 587022521 ZOFBJBOCDIXCFB-UHFFFAOYSA-N 399.483 4.078 0 1 GIAF Clc1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587186668 NZTZRMFKLOKRMA-UHFFFAOYSA-N 394.603 4.136 0 1 GIAF CNc1cccc(-c2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)c1 587236541 XNODWAJUDSNEPM-UHFFFAOYSA-N 380.249 4.443 0 1 GIAF Cc1n[nH]c(C)c1C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346130 LFJKYAZELCQCTO-UNMCSNQZSA-N 380.419 4.232 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3ccc(C(=O)O)o3)c1)O2 587405193 UZEAYVFIHMRQCC-FQEVSTJZSA-N 393.395 4.154 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccc4c(c3)OCO4)cs1)O2 587413468 OJUQIRUDDVPASU-SFHVURJKSA-N 380.425 4.136 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cnn(-c4ccccc4Cl)c1)[C@@H](C2)C3=O 587417677 FASFJLGLNHEWBM-YCRPNKLZSA-N 380.831 4.197 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCOc4c1ccc(Cl)c4Cl)[C@@H](C2)C3=O 587423109 UESNKNLOFDROQZ-HXPMCKFVSA-N 377.223 4.427 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCC=C(NNc4ccc(F)cc4)C1)[C@@H](C2)C3=O 587427966 KNBKULSKIJSDDQ-PGRDOPGGSA-N 380.419 4.005 0 1 GIAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(Cc2ccc3c(c2)OCO3)C1 587491182 NRBMWNMNXPQTMC-UHFFFAOYSA-N 380.440 4.430 0 1 GIAF CC(C)n1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587582828 RHYZURXXGBZOKY-DENIHFKCSA-N 378.428 4.133 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Br)[nH]2)N1 587680313 IKGVMBXTECXHIY-JKYUHCHBSA-N 388.078 4.302 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-n2ccnc2)N1 587753029 HCCVJERZIJOJKK-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF Cc1nc2ccccc2nc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587780302 ZYCOVSAXTCKSFF-OVWNDWIMSA-N 386.268 4.463 0 1 GIAF COCCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587790853 HDJANSZMOWFCDM-CWTRNNRKSA-N 394.284 4.237 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC(=O)Nc3ccccc32)N1 587794665 PFNQTZOPXZZDBH-WLRWDXFRSA-N 389.268 4.098 0 1 GIAF CCCCOC(=O)[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587796951 UPSNHWFBGMKOJB-SPKLELGKSA-N 398.316 4.461 0 1 GIAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587806517 JRRFDYPRODSKSI-MGNBDDOMSA-N 380.257 4.229 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(CC(=O)O)cc2)N1 587828352 OWOWEPZNNZFTMM-WLRWDXFRSA-N 392.268 4.013 0 1 GIAF COc1ccc2c(c1)OCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587832291 BGIKESQJLKRRIS-NSPYISDASA-N 392.268 4.157 0 1 GIAF CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3cccc4ccccc34)[nH]c12 587968689 NZOHEFIRMMONEB-YPKPFQOOSA-N 377.469 4.137 0 1 GIAF OC[C@]1(c2ccccc2Cl)c2cccc(F)c2CCN1[C@@H]1CCSC1 962717932 WVKPVOYTWYSDCR-JLTOFOAXSA-N 377.912 4.079 0 1 GIAF Cc1cc(C)nc(SCC(=O)Nc2cccc(CNc3ccccc3)c2)n1 1772582356 FMQMMWPCVOBJOU-UHFFFAOYSA-N 378.501 4.436 0 1 GIAF O[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)CC1 1772585005 OIWKVZIBVNRNOJ-SHTZXODSSA-N 376.382 4.131 0 1 GIAF COc1ccc(CC(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)cc1O 1857759814 HKPNHUAZURUPMZ-UHFFFAOYSA-N 390.483 4.214 0 1 GIAF CC(=CCc1c(O)cc(C)c(C=O)c1O)[C@H](O)C[C@@]1(C)[C@H](C)C(=O)CC[C@H]1C 2356710380 BQAWIDAQBDWCGH-RJUQKDBQSA-N 388.504 4.100 0 1 GIAF CC[C@H](C)[C@@H](CN[C@H](C)CNC)NCCC(c1ccccc1)c1ccccc1 22938839 YBUZENOZCUMGOG-BPYKYCOYSA-N 381.608 4.410 0 3 GIAF CCOc1ccc(CCNC(=O)c2c(-c3ccc(OC)cc3)noc2C)cc1 774253 CFNDTJZRLZJJND-UHFFFAOYSA-N 380.444 4.030 0 1 GIAF CCOC(=O)[C@H](Sc1nnc(COc2ccc(CC)cc2)n1CC)C(C)C 1329520 RNCJWHBQJOYSEG-GOSISDBHSA-N 391.537 4.119 0 1 GIAF O=C1c2c(O)cccc2C(C(=O)Cc2ccc(Cl)cc2)c2cccc(O)c21 13862151 SSOKSAQOTXVRAL-UHFFFAOYSA-N 378.811 4.239 0 1 GIAF O=C(CC1CCN(Cc2ccccc2)CC1)Nc1ccc(-c2ccccc2)nn1 13863649 OERKQZIKAWKIFT-UHFFFAOYSA-N 386.499 4.384 0 1 GIAF CC(C)=CCC[C@](C)(O)[C@@H](O)CC/C(C)=C/Cc1cc(C(=O)O)ccc1O 14511574 JXAFVRIAOQJYNY-RTTPKFEFSA-N 376.493 4.218 0 1 GIAF O[C@](Cn1ccnc1)(c1ccc(-c2ccccn2)cc1)c1ccc(F)cc1F 26846578 KSBSRQHTDJZSKG-JOCHJYFZSA-N 377.394 4.159 0 1 GIAF CC(C)NS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@@H]3C)cc2)cc1 43012296 WLCWEBJKGPIJRI-SFHVURJKSA-N 386.561 4.067 0 1 GIAF COC(=O)/C=C/c1ccc(CC[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 45166930 HUEVKZQZMJKGGM-XNBUVKSZSA-N 387.907 4.171 0 1 GIAF CCCCNc1ncc(C(=O)NCc2ccccc2)c(-c2ccc(F)cc2)n1 82140613 XMHDZVBQGKILRZ-UHFFFAOYSA-N 378.451 4.425 0 1 GIAF Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)cc1F 101463952 KZUDVENDSUODSU-WEHONNDLSA-N 391.439 4.274 0 1 GIAF O=C(COc1ccc2ccccc2c1)NCc1nnc(Nc2ccccc2)s1 144970574 GCSPSALKTJQFKQ-UHFFFAOYSA-N 390.468 4.130 0 1 GIAF COc1cc(S(=O)(=O)c2ccc3sccc3c2)cc2c3c(oc12)CCNC3 147537172 OZDUKORTZHBEMX-UHFFFAOYSA-N 399.493 4.135 0 1 GIAF COc1ccc([C@H]2CC(=O)[C@@H]3C(=Nc4ncnn4[C@@H]3c3ccccc3C)C2)cc1 169690502 OTESNLJUGSNVQZ-URZJWIJPSA-N 386.455 4.034 0 1 GIAF COC(=O)C1CCC(C(=O)N2CC[C@]3(C)c4ccccc4C[C@@H]2C3(C)C)CC1 218967820 MQXLZGZVVFSKIK-WBIUCTKCSA-N 383.532 4.107 0 1 GIAF COCCNC(=O)[C@H]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)CC1 253698974 HLUCCADBHQWTOT-HDJSIYSDSA-N 395.425 4.132 0 1 GIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(OC(C)C)cc2[nH]1 586973111 NWKCETIGTFEXPU-FQEVSTJZSA-N 383.517 4.461 0 1 GIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cs1 587014072 IPHKZVONNKTQGD-UHFFFAOYSA-N 399.398 4.125 0 1 GIAF Cc1cnc2[nH]c(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)nc2c1 587055537 KWESFYXUOKURPB-UHFFFAOYSA-N 385.254 4.450 0 1 GIAF C[C@@]1(CC2(C(=O)O)CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352606 MUXIQCQZRDESOB-NQIIRXRSSA-N 384.403 4.294 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C)c1OCC(F)(F)F)CC2=O 587463384 YJRSLFVZVFNGDZ-HNNXBMFYSA-N 398.381 4.034 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cn(CCC(=O)O)c3ccccc13)CC2=O 587474153 CHNMCKUDMNRGFQ-NRFANRHFSA-N 393.439 4.481 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCCN(C(=O)c3ccccc3)CC1)CC2=O 587474891 KVJLUJNFRNONIF-DEOSSOPVSA-N 393.483 4.375 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OC)OCCCO3)CC2=O 587493611 UOSVTAFNEGTNER-IBGZPJMESA-N 384.428 4.221 0 1 GIAF CCOC(=O)[C@H]1Cc2ccccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587526310 SNKMVOKMOQWLHN-YKSBVNFPSA-N 376.452 4.162 0 1 GIAF C[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H]2CCCC[C@H]2N1 587590808 AVXISJAYPRLPQV-BLYSBGKCSA-N 379.456 4.033 0 1 GIAF COc1nccc(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587696279 SVDYHZPAWRAVMM-VXJOIVPMSA-N 385.664 4.269 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccncc2)(C(F)(F)F)N1 587710298 ROYMRRKAADAUNS-BJOHPYRUSA-N 389.190 4.323 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)O)c(F)c2)N1 587725944 TXVAARALEAYMCN-DYBLOJMWSA-N 396.231 4.223 0 1 GIAF COc1ccc2c(c1F)CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587738554 PFBWIMXQLUUCPP-OVWNDWIMSA-N 394.259 4.460 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3cccc(N)c32)N1 587748209 VPOJENWOJOLTTF-WLRWDXFRSA-N 375.285 4.285 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(N(C)C)c2)N1 587755077 LSTPXQKJRCLULU-CWTRNNRKSA-N 377.301 4.452 0 1 GIAF CC[C@@]1(c2ccc(C(=O)O)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587826797 MACAXQGVIMKSJL-WYRIXSBYSA-N 392.268 4.474 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1CCCCc1ccccn1 587868888 WNLIVZJBKDGMSX-UHFFFAOYSA-N 376.382 4.390 0 1 GIAF COc1ccc(OC)c(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1OC 587926851 LMGQPZITJZMIBV-UHFFFAOYSA-N 390.443 4.087 0 1 GIAF Clc1ccccc1-c1nnnn1CCCN1CCC(Cc2ccccc2)CC1 1857744007 OVHFWRYXPMCGPE-UHFFFAOYSA-N 395.938 4.338 0 1 GIAF O=C(c1cc(Cc2ccccc2Cl)c(O)cc1O)N1Cc2ccccc2C1 1857745984 GJFDUCBISHYGPG-UHFFFAOYSA-N 379.843 4.498 0 1 GIAF CO[C@]1(C)CCC[C@]2(C)[C@H](CN(C)C)C[C@H](C3=CC[C@@H](C(C)(C)O)OC3)C[C@@H]12 2356510649 GRJRDZBKHTWUTA-PKEUMSFLSA-N 393.612 4.272 0 1 GIAF O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2O)c1CCO 588785 QESHSZWKJULSAR-UHFFFAOYSA-N 383.753 4.108 0 1 GIAF in-man COc1ccc(C2=C(c3ccc(S(N)(=O)=O)cc3)CC3(CC3)C2)cc1Cl 3814730 BOEJXBGCXOGVPM-UHFFFAOYSA-N 389.904 4.481 0 1 GIAF CS(=O)(=O)Nc1cccc(-c2nc(Nc3ccccc3)c3ccccc3n2)c1 4257430 UXJCRLZUXXHYKN-UHFFFAOYSA-N 390.468 4.412 0 1 GIAF CCc1ccc(Nc2cc(C(=O)NCCN3CCCC3)c3ccccc3n2)cc1 4910545 MXEGLLHJVYELFW-UHFFFAOYSA-N 388.515 4.366 0 1 GIAF COc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3c2CCCC3)cc1 5513796 IWEWIDVCEHCGRQ-UHFFFAOYSA-N 398.406 4.389 0 1 GIAF COc1ccccc1N1CCN(CCCCc2cc(-c3ccccc3)no2)CC1 13441308 NBCNQEXSFAAUHI-UHFFFAOYSA-N 391.515 4.495 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@@H](CN1CCC(Cc3ccccc3)CC1)C2 13744619 RFRCKQUUCMWYIO-HXUWFJFHSA-N 379.500 4.014 0 1 GIAF CC(=O)O[C@@H]1c2ccc(Br)cc2C(n2ccccc2=O)=CC1(C)C 13832195 MATHGHPODBUOAR-GOSISDBHSA-N 388.261 4.144 0 1 GIAF Cc1nc(=O)[nH]c(CC(O)(c2ccccc2)c2ccccc2)c1-c1ccccc1 17195976 RUMSUGVHLWUDNX-UHFFFAOYSA-N 382.463 4.224 0 1 GIAF CCOc1cc2c(cc1O)[C@H](NC(C)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 26494549 YRMUBJUOYFERGW-NFIDRFGFSA-N 387.520 4.033 0 1 GIAF NCCCCN(Cc1nc2ccccc2[nH]1)[C@H](c1ccccc1)c1ccccn1 66076845 XIZQCMFNLKHXPC-XMMPIXPASA-N 385.515 4.288 0 1 GIAF O=C(O)c1cc(CN2CCC(c3ccc(Cl)cc3)CC2)c2ccccn2c1=O 66098587 QCQFAYVHNNLCJK-UHFFFAOYSA-N 396.874 4.031 0 1 GIAF COCCCNc1ncc(C(=O)N(C)C2CCCCC2)c(-c2cccc(C)c2)n1 82145731 UNYPMPGSEZZADM-UHFFFAOYSA-N 396.535 4.305 0 1 GIAF O=C(C1CCCC1)N1CC[C@@H]2[C@H]1c1cc(-c3cccc(F)c3)ccc1N[C@H]2CO 95665026 JMESCZKWBUYOGY-VJBMBRPKSA-N 394.490 4.359 0 1 GIAF O=C(c1cccnc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(C4=CCCCC4)cc3[C@@H]21 95794795 IJAZKBPSGPFQSG-WTIAFYNJSA-N 389.499 4.029 0 1 GIAF Cc1ccc([C@@H]2CC(c3nc4ccccc4[nH]3)=NN2C(=O)c2ccncc2)cc1 103213321 TWPJIASMINOHJP-NRFANRHFSA-N 381.439 4.258 0 1 GIAF Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4[C@@]23c2ccc(C)cc2)cc1 103226536 KDHCKYRUYPAHHS-VWLOTQADSA-N 382.463 4.116 0 1 GIAF Cn1nc(C(F)(F)F)cc1-c1ncc(NC(=O)c2ccccc2Cl)s1 142654457 BOGAABAGZRMKTO-UHFFFAOYSA-N 386.786 4.468 0 1 GIAF O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)CC1)c1ccon1 144059377 MNARXDIEJURKNW-KESTWPANSA-N 389.455 4.269 0 1 GIAF O=C(O)c1csc(-n2nc(-c3ccccc3)c3ncc(C(F)(F)F)cc32)n1 205479477 UPPDSPSCYQRYKM-UHFFFAOYSA-N 390.346 4.261 0 1 GIAF CC1(C)Oc2cc(C34C[C@H]5C[C@@H](CC(N)(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 299866487 VXFUZOCYTLRTCW-IZBKDDRTSA-N 397.559 4.357 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2c1 586888987 ZGKKVRQIXMDJGS-XOBRGWDASA-N 397.272 4.484 0 1 GIAF CCCCS(=O)(=O)N[C@H](c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)C(C)C 586932683 IQKVBIVQBMDALI-AWEZNQCLSA-N 395.422 4.137 0 1 GIAF Cc1ccc(-n2cnnc2SCc2nc3cc(Cl)ncc3[nH]2)cc1Cl 586968941 ZIXKILQFYNFBRF-UHFFFAOYSA-N 391.287 4.446 0 1 GIAF Cc1c(Br)ccc2nc([C@@H]3CSCN3C(=O)C(C)(C)C)[nH]c12 587042959 OAOHROCJHOLYLN-LBPRGKRZSA-N 382.327 4.254 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(C)cnc3[nH]2)c1 587049946 KEIXHBXRUKZXHX-BQYQJAHWSA-N 397.866 4.310 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Cl)cc(F)c3[nH]2)C(F)(F)C1 587132756 UUUCEFXJMIIWCA-SECBINFHSA-N 375.778 4.325 0 1 GIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)nccc2[nH]1 587147271 JQHQPNAQRPLYIN-UHFFFAOYSA-N 390.191 4.066 0 1 GIAF O=C(O)CCN(CCc1nc2cc(Cl)c(F)c(F)c2[nH]1)Cc1ccccc1 587193340 HOKQDDSWCDJXGD-UHFFFAOYSA-N 393.821 4.014 0 1 GIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(F)c(F)c2[nH]1 587199107 ZZNUGTKQEZKGPM-UHFFFAOYSA-N 378.382 4.367 0 1 GIAF C[C@@H](O)[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371684 COVZZLTWVBZRDS-ZPDQPEGFSA-N 384.428 4.228 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(C(=O)c4ccc(C)cc4)cn1C)[C@@H](C2)C3=O 587431073 MKIOMWRREFCTNL-MHECFPHRSA-N 387.435 4.062 0 1 GIAF Cc1ccc(OCc2nc3c(Br)cnc(Br)c3[nH]2)cc1 587565416 HKWGHXJNGKQOAZ-UHFFFAOYSA-N 397.070 4.370 0 1 GIAF C[C@@]1(CC(=O)Nc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587575472 BZQMHAPYUZGMCH-OFNKIYASSA-N 389.407 4.141 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1C[C@@H]1CCCO1 587578886 SAQMWDDSJMEURZ-RSDPBLMXSA-N 391.423 4.076 0 1 GIAF Nc1ccccc1-c1[nH]c2cc(F)ccc2c1CN1C(=O)c2ccccc2C1=O 587637018 STZMFSJYCMUUPS-UHFFFAOYSA-N 385.398 4.352 0 1 GIAF CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(N)cc2O1 587746318 MKJPCZILHNCQLG-DGIBIBHMSA-N 389.268 4.244 0 1 GIAF CCOc1ccc(OCC)c(-c2nc3c(F)cnc(Br)c3[nH]2)c1 587777565 AXQAVXVZGYCBFF-UHFFFAOYSA-N 380.217 4.324 0 1 GIAF COC(=O)c1cc(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587812426 ZBGVWKFFTYMXNY-ZMZPIMSZSA-N 392.268 4.307 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3nccs3)CC2)N1 587854214 QNRKAXKHMZDDLX-LLVKDONJSA-N 396.329 4.075 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCCc2ccccc21 587871621 ALZKUZACBXAXDJ-UHFFFAOYSA-N 379.435 4.181 0 1 GIAF COc1ccc(/C=C\Cc2nc3c(F)cnc(Br)c3[nH]2)c(OC)c1 587929265 LRTIXBOMERWYGF-ARJAWSKDSA-N 392.228 4.133 0 1 GIAF O=C(Cc1ccc2c(c1)Cc1ccccc1-2)Nc1ccc(-c2cnccn2)cn1 653714189 NZIDPWOGQMNRQZ-UHFFFAOYSA-N 378.435 4.291 0 1 GIAF Clc1cc(Cl)c2c(c1)[C@H](C1CCN(Cc3cccnc3)CC1)NCC2 963101346 AQSOXUNRQPUAJM-FQEVSTJZSA-N 376.331 4.487 0 1 GIAF COC(=O)c1ccccc1-c1ccccc1[C@@H]1NCCc2c(C(=O)O)cccc21 963118294 BJOVULOXAQWDSM-QFIPXVFZSA-N 387.435 4.074 0 1 GIAF O=C(O)c1cccc2c1CCN[C@@]21CCCCc2cc(Br)ccc21 963118336 BYYCPZFSATVLIL-HXUWFJFHSA-N 386.289 4.263 0 1 GIAF COCCOc1ccc2c(c1)[C@](C)(CCCc1ccc(N(C)C)cc1)C(=O)N2 1772617445 UYAFPVLSXFOSGT-QHCPKHFHSA-N 382.504 4.011 0 1 GIAF O=c1ccc2cc3ccoc3c(OCc3cn(-c4ccc(Cl)cc4)nn3)c2o1 1772634133 OKEZWMUIZKKMFV-UHFFFAOYSA-N 393.786 4.352 0 1 GIAF NC(=O)c1cccc(-c2coc3c(C(=O)NCCc4ccccc4)cccc23)c1 61903467 DRUVGOWPGBYZQI-UHFFFAOYSA-N 384.435 4.171 0 3 GIAF CCCCNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccccc1OC 4055531 KDEJMBAHXGLKPW-QUCCMNQESA-N 386.879 4.357 0 1 GIAF C[C@@]1(O)C[C@@H](O)O[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1 13730550 RCIAURCVMTWVOB-FGSXEWAUSA-N 396.512 4.084 0 1 GIAF CCOC(=O)[C@@]1(C/C=C/c2ccccc2)CCCN(C(=O)c2cscn2)C1 14963868 HOCZYJUYJLDCTN-ISPXXFMDSA-N 384.501 4.032 0 1 GIAF CN(C(=O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccccc1 28571731 FDQUXSGTFCSPGG-UHFFFAOYSA-N 377.284 4.275 0 1 GIAF C/C=C/C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O 29059260 NMBIFQLIMKOHCX-FARCUNLSSA-N 376.364 4.019 0 1 GIAF CCC(=O)Oc1ccc2c(c1OC(=O)CC)-c1cccc3c1[C@@H](C2)N(C)CC3 33754827 ZQYXVNCCUSJLCX-QGZVFWFLSA-N 379.456 4.070 0 1 GIAF COC(=O)C1=CCCN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64454118 FAXDKDSDNWXAIS-OZXSUGGESA-N 387.523 4.429 0 1 GIAF CC[C@@H]([C@H](C)O)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72100925 PMNPDZIPKKSQML-SSKFGXFMSA-N 387.955 4.038 0 1 GIAF CC(C)CNc1ncnc2c1nc(-c1cccs1)n2CCc1ccccn1 82178040 DAIYSTFAHNEKCI-UHFFFAOYSA-N 378.505 4.260 0 1 GIAF O=C(Cc1ccccc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(-c4ccccc4)cc3[C@@H]21 95877503 HPLLNSLMMJDLCP-LJGDZFJRSA-N 398.506 4.272 0 1 GIAF O=C(NC1CCCCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(F)c2)cc1 100106668 QTIGZDPUDXFQRQ-JKHIJQBDSA-N 393.506 4.275 0 1 GIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cc2ccccc2n1C 167356775 NSZOOLJZICMMOL-IBGZPJMESA-N 378.472 4.449 0 1 GIAF COc1cccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(C)cc3)[nH]c12 586948050 DDBKHNRRCKKZEH-UHFFFAOYSA-N 393.468 4.348 0 1 GIAF COC(=O)c1cccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c12 586966099 FBJSJJOVZHNDMC-UHFFFAOYSA-N 392.484 4.444 0 1 GIAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(N)c(N)cc2[nH]1 586981283 NREWNOATAKXZLL-UHFFFAOYSA-N 382.265 4.256 0 1 GIAF Cc1cc(Br)ccc1OCc1nc2cc(Br)cnc2[nH]1 586981661 SKGYBJVYLBBFKT-UHFFFAOYSA-N 397.070 4.370 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cc(C)c(C)cc2[nH]1)c1ccc(Br)cc1 586984178 CMNNVCULLASDSM-INIZCTEOSA-N 386.293 4.362 0 1 GIAF CC(=O)c1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c1 587204664 ZJOJBACMJIXUJF-UHFFFAOYSA-N 378.432 4.283 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)c(Br)cc1F)[C@@H](C2)C3=O 587424627 QIEAKLNSGLBGEN-BTDLBPIBSA-N 381.172 4.225 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(=S)N(C)C)cc1)CC2=O 587488952 ACTGKVUIHIDLCY-IBGZPJMESA-N 385.485 4.277 0 1 GIAF CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2nsnc12 587537180 BOVVPZVYDSATAE-GOSISDBHSA-N 379.485 4.343 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)c(F)cc12 587572087 RNYODFCAJGBEMM-DENIHFKCSA-N 380.346 4.474 0 1 GIAF Cn1c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)nc2ccccc21 587574069 AJMHUZMYGIENTI-XXBNENTESA-N 386.407 4.156 0 1 GIAF Cn1cc(-c2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2)cn1 587578660 AYHJTYQIIFVWFA-URXFXBBRSA-N 398.418 4.496 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ncccn1 587587578 OPASQHQNWIRLJU-HYBUGGRVSA-N 396.402 4.088 0 1 GIAF COc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1O 587713314 BYCSWXJCQPDJJH-DYBLOJMWSA-N 398.247 4.239 0 1 GIAF COc1ccc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587721449 VUAGMXPXGQCSHW-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF Cc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)n1 587771897 UIZWVTOAQJRQNN-VOJFVSQTSA-N 379.273 4.103 0 1 GIAF COc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587805706 HGVGHPUCZUFUED-JEOXALJRSA-N 394.284 4.403 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@@]2(C(=O)O)C3(C)C)N1 587826669 LDHXACJSJXZDFV-LLRCKHJESA-N 396.300 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1OC[C@@H]2C 587836373 TYRZJSOMOHUMKC-AVCJSFLBSA-N 376.269 4.395 0 1 GIAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 587937890 QXNOUBZYEITKQW-BCTVWOGZSA-N 397.219 4.449 0 1 GIAF Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc3c(cc12)C(=O)CC3 653693912 OKYOVVYIHGQAOV-UHFFFAOYSA-N 391.374 4.279 0 1 GIAF Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1cccc(Cl)c1 653830165 TWMOSCPXPWWEQC-UHFFFAOYSA-N 386.864 4.032 0 1 GIAF CC1CCN(CCCOc2ccc(=O)n(-c3cc(Cl)ccc3Cl)n2)CC1 653864172 USMQXSKQUSQFAT-UHFFFAOYSA-N 396.318 4.040 0 1 GIAF C[C@H](COCc1ccccc1)[C@@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962704874 DQKBZVIYDKYYQJ-CCKFTAQKSA-N 377.406 4.226 0 1 GIAF CCNC(=O)[C@@]1(C)CCCN(Cc2ccc3ccccc3c2Br)C1 61905485 VPMXAQHIMBZWRJ-FQEVSTJZSA-N 389.337 4.341 0 3 GIAF O=c1c(-c2cccs2)cc(-n2c(=O)[nH]c3ccccc32)cn1-c1ccccc1 206062673 RKCBZGRZYNMCOS-UHFFFAOYSA-N 385.448 4.198 0 3 GIAF CSc1c([S@](C)=O)[nH]c2cc(Br)cc(Br)c12 4613259 RPUHYZCTFRSRAR-MRXNPFEDSA-N 383.130 4.152 0 1 GIAF biogenic CCC(CC)Nc1cccnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 5964853 FMXOYGQCFZVVSZ-UHFFFAOYSA-N 391.519 4.126 0 1 GIAF CC(C)CNC(=O)c1cccnc1[S@@](=O)C(c1ccccc1)c1ccccc1 13605223 VYMHDRDZVJCNEN-MUUNZHRXSA-N 392.524 4.365 0 1 GIAF O=C(c1ccc(Cl)cc1Cl)[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1 26009051 BWPJNXXXXDXZIJ-QGZVFWFLSA-N 396.661 4.009 0 1 GIAF O=C(O)CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](CC[C@@H](O)C3Cc4ccccc4C3)[C@@H]2C1 26148536 UFZMJHCRGNECQE-XSVQEGJOSA-N 398.543 4.131 0 1 GIAF O=c1[nH]c2cccc(N3CCN(Cc4cccc(-c5ccsc5)c4)CC3)c2o1 26393131 KTDGVFIKKDUXFL-UHFFFAOYSA-N 391.496 4.172 0 1 GIAF CC(C)O[C@@H](Cc1ccc(OCc2noc(C3CCCCC3)n2)cc1)C(=O)O 26475352 QPPODAOWFXCUGL-SFHVURJKSA-N 388.464 4.117 0 1 GIAF C[S@@](=O)c1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)cc1 27213256 SVQVHQODJJBBMR-ONDKDMNRSA-N 379.525 4.084 0 1 GIAF CCCCCc1ccc(CN2C(=O)c3ccccc3[C@@]23CC(O)=NC3=O)cc1 27522270 MZQLLKMPWKTXGF-HSZRJFAPSA-N 376.456 4.157 0 1 GIAF CC[C@@H](C)N(C[C@@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC 27655203 YNGZJSALRCLELM-XNFNUYLZSA-N 380.960 4.091 0 1 GIAF O=c1oc(-c2ccccc2I)nc2cccc(Cl)c12 27735314 ZVGOSDYEZKTSSK-UHFFFAOYSA-N 383.572 4.113 0 1 GIAF COc1ccc(NC(=O)NC2CCN(CCc3c[nH]c4ccccc34)CC2)cc1 27992791 APQLMUZVCXNJNO-UHFFFAOYSA-N 392.503 4.005 0 1 GIAF Clc1ccc(-c2nnc3n2ccc2nnc(-c4ccc(Cl)cc4)n23)cc1 28712771 QQBSEXMDOJAILR-UHFFFAOYSA-N 381.226 4.413 0 1 GIAF C[C@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(Br)cc4)cc3c21 28902156 BDJGBNKCTHVCSF-JTQLQIEISA-N 398.260 4.030 0 1 GIAF C/C=C/c1ccc(O[C@H](C)[C@@H](O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 38249280 LNEPYGTUEWFPKT-CUPZOLRKSA-N 388.460 4.255 0 1 GIAF O=C(N[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1)c1ccc(Cl)cc1 39246764 PSPLTVLRUIGXQJ-UZLBHIALSA-N 379.891 4.313 0 1 GIAF Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1C[C@@H]1CCCO1 71329501 NSXJCOLJLZPHDA-MMQADKFZSA-N 383.561 4.116 0 1 GIAF N=C(NCCc1ccccc1)c1ccc(N2CCN(c3ccccc3)CC2)cc1 73280220 MKFDQHDETZRWMV-UHFFFAOYSA-N 384.527 4.171 0 1 GIAF CC(C)Cc1nc2c(NCc3ccccc3)ncnc2n1CC[C@@H]1CCCN1C 82178559 UVXVOAXYWZWZIA-IBGZPJMESA-N 392.551 4.121 0 1 GIAF Cc1cccc(-n2nnc(-c3ccc(F)cc3)c2-c2ccc3nccnc3c2)n1 95583107 MBOFLWZADWPIKX-UHFFFAOYSA-N 382.402 4.387 0 1 GIAF CN(C(=O)n1nnc(Cc2ccc(-c3ccccc3)cc2)n1)C1CCCCC1 96258167 LLRSVFMJVIEWCG-UHFFFAOYSA-N 375.476 4.164 0 1 GIAF COc1ccc2cc1COC/C=C/COc1cccc(c1)-c1ccnc(n1)N2 96903351 WVSIOWNEXQMNSF-NSCUHMNNSA-N 375.428 4.361 0 1 GIAF Cc1oc(-c2ccccc2)nc1Cc1ccc([C@H]2CO[C@@](C)(C(=O)O)OC2)cc1 101452132 GKNLXVJBZRNFOJ-UILWBTOOSA-N 393.439 4.172 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1ccc2c(ccn2C)c1 167581466 DCXJWQSSOWSEHV-KXBFYZLASA-N 378.472 4.305 0 1 GIAF Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc21 205198487 PCKRKAGRGQILDT-UHFFFAOYSA-N 389.430 4.320 0 1 GIAF O=[P@](O)(Nc1ccccc1)OCc1ccc(I)cc1 299804394 DMOJBXCPGXMJLE-UHFFFAOYSA-N 389.129 4.020 0 1 GIAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cccc(O)c4[nH]3)c2)cc1 586931176 NPGGJHGEJIQJPZ-UHFFFAOYSA-N 393.468 4.069 0 1 GIAF Cc1ccnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc12 586966083 DGKMEAUUVAAJJA-UHFFFAOYSA-N 376.489 4.076 0 1 GIAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Br)cnc2[nH]1 587027216 RDSXXPOSZBLZBF-UHFFFAOYSA-N 375.251 4.336 0 1 GIAF FC(F)=C(C[C@H]1CCCN1)c1nc2c(Cl)c(Br)cnc2[nH]1 587087200 BRQSXIKBLHSMKM-ZCFIWIBFSA-N 377.620 4.124 0 1 GIAF FC(F)(F)CSc1cc(-c2nc3ccc(Br)nc3[nH]2)ccn1 587092216 SVHGIZRQHFZVJV-UHFFFAOYSA-N 389.200 4.437 0 1 GIAF Nc1c(-c2nc3ccc(F)c(Br)c3[nH]2)cnc2c(F)cccc12 587176505 NTIANECZYAMMQS-UHFFFAOYSA-N 375.176 4.401 0 1 GIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cn1 587247866 VRBKAISYDKXDKE-UHFFFAOYSA-N 398.776 4.023 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCN(C(=O)OCc3ccccc3)CC1)O2 587395234 MCDSKCWKLQWOJZ-HSZRJFAPSA-N 394.471 4.104 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(C(=O)c4ccc(C)cc4)cn1C)[C@@H](C2)C3=O 587431077 MKIOMWRREFCTNL-UUOWRZLLSA-N 387.435 4.062 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ncc(Br)cc1F)CC2=O 587467146 OMDCBZUVPOMLRG-HNNXBMFYSA-N 380.213 4.348 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1cc(F)cc(F)c1)CC2=O 587467263 PXCMTMGOEVTRHO-OAQYLSRUSA-N 390.382 4.047 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3CN(C(C)=O)c4cccc1c43)CC2=O 587479118 BAVLWYSRTKPJAV-OWJWWREXSA-N 391.467 4.449 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(/C=C\C(=O)O)=COc2ccccc21 587490706 XZRLNODMUUKUPU-JXOZOUPFSA-N 392.407 4.123 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(COc3cccc(C)c3C)nc2c1 587563962 KSFFEBNJELNEOO-UHFFFAOYSA-N 389.249 4.308 0 1 GIAF Cc1cnc2[nH]cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587592512 YZOAJLUGBQJJKJ-AUSIDOKSSA-N 386.407 4.454 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(C(=O)O)c2)N1 587729429 GUCNTKJASKVDAC-PWJLMRLQSA-N 382.204 4.049 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ncco2)N1 587775581 SAWAXWOMAUCWPE-CWTRNNRKSA-N 387.252 4.402 0 1 GIAF Cc1[nH]nc2c1[C@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587798631 UPKVOLUXMJWJAW-DGIBIBHMSA-N 392.316 4.370 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cc(C(=O)O)ccc32)N1 587825984 JADSZNAWEMPMRK-DGIBIBHMSA-N 390.252 4.010 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc4c(c32)CCO4)N1 587836912 YRPRYBULWUTBMJ-YBTHPKLGSA-N 388.280 4.247 0 1 GIAF CCCc1cc(-c2nc(-c3ccc(N(C)S(C)(=O)=O)cc3)cs2)ccn1 587923612 AMLAHKIQICSQJP-UHFFFAOYSA-N 387.530 4.220 0 1 GIAF CCOC(=O)[C@@H]1CC(C)(C)C[C@]12c1ccsc1CCN2Cc1cccnc1 962997177 KOTWBKXUYWHADV-AVRDEDQJSA-N 384.545 4.396 0 1 GIAF Cc1ccc([C@]2(c3ccc(CC(=O)O)n3C)NCCc3c2sc(C)c3C)cc1 963019597 HTHJJBDMGNMYMU-HSZRJFAPSA-N 394.540 4.077 0 1 GIAF Cc1ccc([C@]2(c3ccco3)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1C 963219083 CMXKWOAPNKFLGT-RDGATRHJSA-N 398.462 4.335 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](c2ccc(F)cc2)(C2CCC2)N1 963228816 JFTIZILGXTYZGQ-GGAORHGYSA-N 376.431 4.017 0 1 GIAF COc1cc(-c2nc(-c3ccnc(C)c3)c3n2C[C@@H](CF)OCC3)ccc1C 1772599741 DSRMEQSMACBSIR-GOSISDBHSA-N 381.451 4.148 0 1 GIAF O=C(C[C@@H](c1ccccc1)c1ccccc1F)NCc1ccc2nc(O)[nH]c2c1 1857594958 OBXDMCLXMBRBIH-SFHVURJKSA-N 389.430 4.246 0 1 GIAF Cn1ncc2c(N3CCC[C@@H]3c3ccc(C(F)(F)F)cc3)nc(Cl)nc21 1857644925 RZPRIARPGSKPQC-CYBMUJFWSA-N 381.789 4.377 0 1 GIAF Cc1cccc(C2=NN(C(=O)Cc3cccc(Cl)c3)[C@](O)(C(F)(F)F)C2)c1 1857750612 JJCGVSXFYREHEU-GOSISDBHSA-N 396.796 4.078 0 1 GIAF CCCn1c2c(c3c(OC)cc(OC)cc31)CCn1c-2nc2ccccc2c1=O 1911575025 ZPJYKSVUANUODM-UHFFFAOYSA-N 389.455 4.002 0 1 GIAF CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N)CC[C@@]45C[C@]35CC[C@]12C 2356329293 AUNTULGWYMQHON-NBRLBTGISA-N 388.640 4.332 0 1 GIAF CCC=C(C)[C@H](O)[C@H](C)C=C(C)C=CC=CC=CC=C(C)C(=O)N[C@H](C)CO 2356508783 QGJPEZISMDKYLK-ZLNRFVROSA-N 387.564 4.398 0 1 GIAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@@H](CC(C)C)NC(=O)[C@@]32C(=O)CCC(=O)CCC1 2356520785 YQEDSESCWJZLEZ-AVPXBJHFSA-N 385.548 4.394 0 1 GIAF CCCCNC(=O)c1onc(CSc2ccc(C(C)C)cc2)c1C(=O)O 8691317 UDMKAMNKBRZQJI-UHFFFAOYSA-N 376.478 4.318 0 3 GIAF CSCC[C@H](C(=O)NC1CCCC1)n1c(-c2ccccn2)nc2ccccc21 95570258 RRDAYEPJZNOGOI-HXUWFJFHSA-N 394.544 4.451 0 3 GIAF Fc1ccc2c(C3CCN(CCOc4cccc5c4OCCO5)CC3)c[nH]c2c1 13437397 REMMHZSMZDLMEO-UHFFFAOYSA-N 396.462 4.337 0 1 GIAF Brc1ccc2ccn(CCN3CCCN(C4CCCC4)CC3)c2c1 22939958 WGMZLURHTWILIL-UHFFFAOYSA-N 390.369 4.354 0 1 GIAF CCOC(=O)Nc1cc2c(c(N)n1)N=C(c1ccccc1)[C@H](c1ccccc1)O2 29391050 HLDJALPXIJNWRA-FQEVSTJZSA-N 388.427 4.487 0 1 GIAF O=C(Nc1ccc([C@H](O)CO)cc1C(F)(F)F)c1cc2cc(Cl)ccc2[nH]1 40954179 QFZCJYHTTPXDII-MRXNPFEDSA-N 398.768 4.118 0 1 GIAF O=S(=O)(C[C@H]1CS1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 84725834 RMRUTHBBMQENKJ-CQSZACIVSA-N 390.404 4.267 0 1 GIAF CN1CCN(c2ccc3c(c2)[C@@H]2C[C@@H]3CCN2C(=O)OCc2ccccc2)CC1 102815491 CQQWIHMDQBNBBE-CVDCTZTESA-N 391.515 4.009 0 1 GIAF Nc1nc(-c2ccc(Br)cc2)cc(-c2ccc(-n3ccnc3)cc2)n1 103179985 BRDBCVCOHWIIBP-UHFFFAOYSA-N 392.260 4.341 0 1 GIAF CCN1C[C@H](c2ccccc2)OC(=O)[C@@H]1CC(=O)Nc1ccc(C(C)C)cc1 117777799 DCWMQAIFTKVWMM-LEWJYISDSA-N 380.488 4.127 0 1 GIAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCCCc2nc(N)sc21 220883483 NVNUNBGVUJEEGK-NSHDSACASA-N 384.332 4.467 0 1 GIAF COc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1OC 586901180 QVDZZIHXNARWLH-UHFFFAOYSA-N 378.384 4.232 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cncc(Cl)c3[nH]2)cc1 586949428 WDPKQPGWSLGQSK-UHFFFAOYSA-N 398.875 4.388 0 1 GIAF Cc1cc(Br)ccc1OCc1nc2cncc(Br)c2[nH]1 586981678 STFCSTYBBYREBH-UHFFFAOYSA-N 397.070 4.370 0 1 GIAF N[C@H](Cc1nc2ccc(Br)cc2[nH]1)c1ccc(Br)cc1 586998129 XOYWWJJTJIITJI-GFCCVEGCSA-N 395.098 4.330 0 1 GIAF O=C(Nc1nc(Cc2nc3cc(F)c(F)cc3[nH]2)cs1)c1cccs1 587019037 DFSUMNUBXZHDRB-UHFFFAOYSA-N 376.413 4.202 0 1 GIAF COc1cc2nc(-c3ccccc3C(=O)c3ccc(OC)c(F)c3)[nH]c2cn1 587144520 NSNBXWCNHKTSJP-UHFFFAOYSA-N 377.375 4.012 0 1 GIAF Cc1ccc(/C=C\c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1F 587146215 DGHUXIXIVAIMJD-KTKRTIGZSA-N 375.407 4.240 0 1 GIAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2c(S)nc(S)nc2[nH]1 587149205 HVMFPNXAWSQVPE-CYBMUJFWSA-N 383.477 4.271 0 1 GIAF CC[C@@H](c1nc2cc(C)cc(C)c2[nH]1)n1cc(I)c(C)n1 587184124 FBTORAXVCRBYFK-AWEZNQCLSA-N 394.260 4.289 0 1 GIAF O=C(c1ccc(F)c(Cl)c1)c1c(CO)oc2cc(Br)cnc12 587276909 XBGPKKRWIKSZRM-UHFFFAOYSA-N 384.588 4.106 0 1 GIAF CCC[C@H]1C(=O)N2CCCc3cccc(c32)[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587395573 RMTDJGHQYOCTPW-UUOWRZLLSA-N 390.483 4.147 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3cc(C)cc(C)c3)n1)CC2=O 587475643 NDDDCLUHIPBOCR-OAQYLSRUSA-N 377.444 4.249 0 1 GIAF COc1ccccc1NC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587512779 PNRAHQJRJYASRU-QHCPKHFHSA-N 379.456 4.327 0 1 GIAF C[C@@H](Oc1ccc2c(c1)OCO2)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587534735 FTXAMIIASDGWDG-QKFKETGDSA-N 380.440 4.486 0 1 GIAF CC(=O)Nc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578208 MYKHVBADONRMHO-SIKLNZKXSA-N 375.380 4.054 0 1 GIAF CCC[C@@]1(c2c[nH]c(C(=O)O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590116 RAQOTKQCDPJWBB-GCJKJVERSA-N 393.395 4.076 0 1 GIAF CC1(C)[C@H]2CC[C@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C2=O 587604662 VEASUAYMNPSCQR-JUYJCSSFSA-N 378.424 4.118 0 1 GIAF CCOC(=O)c1c(C2CN(C(=O)OC(C)(C)C)C2)[nH]c2cc(Cl)c(F)cc12 587631936 MWDCJPAYRPHEJE-UHFFFAOYSA-N 396.846 4.471 0 1 GIAF O=C(c1cc(Cl)ccn1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587654263 QVVJNWGXDGHOPT-UHFFFAOYSA-N 397.768 4.079 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(-n3cccn3)c2)N1 587759722 MKGNGVODVBCICW-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF COC(=O)c1ccsc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587847351 WOIHHPPNSJQMFF-CLAHSXSESA-N 384.270 4.060 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)NCCc1cccs1 587872798 QSFHLDZHOYYWJQ-UHFFFAOYSA-N 375.494 4.115 0 1 GIAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 587931083 QSOONWUOIOLNCK-QGHHPUGFSA-N 376.229 4.313 0 1 GIAF CCCCN(C)C(=O)c1cc2c(C(=O)OC(C)(C)C)ncn2c2ccccc12 653834985 VMMFRPQQKTWRHM-UHFFFAOYSA-N 381.476 4.315 0 1 GIAF Cc1c(C(=O)O)[nH]c2c1[C@]1(CC(C)(C)C2)c2ccc(F)cc2C[C@H]2CCCN21 963115303 VOKYNYXFFGESIN-MWTRTKDXSA-N 382.479 4.397 0 1 GIAF CC=C(C)C(=O)OCC(=CC)C(=O)O[C@H](CC)c1ccc(OC)c(OC)c1 2356383395 LKOARHYUMOKAPJ-QGZVFWFLSA-N 376.449 4.154 0 1 GIAF O=C(NCCc1ccccc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 6769982 ABGVBFPYDGDRAG-UHFFFAOYSA-N 392.524 4.224 0 3 GIAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cccc(Cl)c2Cl)C1 36380831 DXDDWXHNWRDUCF-UHFFFAOYSA-N 399.347 4.050 0 3 GIAF O=C1NC(=O)N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1 13652002 MVPIENYYKQWKFZ-UHFFFAOYSA-N 378.259 4.141 0 1 GIAF COc1ccc(-c2scc3[nH]c([S@@](=O)Cc4cc(OC)ccn4)nc23)cc1 27520068 ZWIGOJFHYCFEQH-HHHXNRCGSA-N 399.497 4.011 0 1 GIAF CCN(CC)[C@H](C)c1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1 28137115 PFFIGJRGVPXHLW-IVZQSRNASA-N 383.488 4.293 0 1 GIAF NC(=O)c1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1 35259937 LHTBNQUBJBTNLK-UHFFFAOYSA-N 377.444 4.211 0 1 GIAF Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)ncn2Cc1ccccc1 40392398 HHTZXLHOANPOOG-UHFFFAOYSA-N 377.469 4.194 0 1 GIAF COCOc1ccccc1-c1c(Br)c2ccc(C)cc2c(=O)n1C 40878101 ZPNNAICUMWHOPY-UHFFFAOYSA-N 388.261 4.259 0 1 GIAF O=C(O)[C@@H]1CCCN([C@H]2CC[C@]3(Cc4ccccc4Cc4ccccc43)C2)C1 64448825 GJQONOYIKURBSD-SLSDLSHTSA-N 375.512 4.420 0 1 GIAF COC(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(Cc2nnn[nH]2)cc1 66251164 FQIHMSNTPCUEJK-UHFFFAOYSA-N 378.457 4.076 0 1 GIAF COC(=O)[C@@]1(Cc2cccc(C(F)(F)F)c2)CC(=O)O[C@@H]1c1ccccc1 73158043 AUKKAGUDOGNTCE-MJGOQNOKSA-N 378.346 4.096 0 1 GIAF COCCn1c(-c2ccc(C)o2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188381 YEOKSSVUPBBLHQ-HNNXBMFYSA-N 391.475 4.257 0 1 GIAF N=C(N)SCc1cccc2c1Oc1c(CSC(=N)N)cccc1S2 84689487 YPBKXBQJGRXXJQ-UHFFFAOYSA-N 376.532 4.197 0 1 GIAF Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@H]3CC[C@H](C)C[C@H]3C2=O)c1 102618601 PIOFVHMFVWYPOQ-ZOCIIQOWSA-N 376.456 4.173 0 1 GIAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)C[C@@H]1CC[C@@H]3N1 113222314 DOUMNJOBZGMSMH-UWJYYQICSA-N 397.478 4.247 0 1 GIAF CCCCc1cc2c(N3CCN(C4=NCC(C)(C)S4)CC3)ncnc2s1 199073182 DGHMWFXLUQFCNT-UHFFFAOYSA-N 389.594 4.037 0 1 GIAF C[C@@H]1O[C@@H](OCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O 219956091 PWLVZSHZFIGCNL-QEUVDIPISA-N 388.545 4.016 0 1 GIAF in-vitro COc1cc(-n2ccc3ccccc32)cc2c1OCCN(Cc1cccnc1)C2 473128644 DMZSBWTVXNLHFV-UHFFFAOYSA-N 385.467 4.429 0 1 GIAF O=C1O/C(=C/c2nc3c(Br)cnc(Cl)c3[nH]2)c2ccccc21 586906367 LSWVLBGYRWEQOK-BJMVGYQFSA-N 376.597 4.042 0 1 GIAF CN(C)S(=O)(=O)c1cccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587053586 FZUNOKVLQRTVJP-KTKRTIGZSA-N 396.299 4.290 0 1 GIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(Br)ncc2[nH]1 587116213 UMNGPGPFWSEWPK-UHFFFAOYSA-N 394.154 4.349 0 1 GIAF Nc1ccc(-c2ccc3nc(Cn4cc(-c5ccc(F)cc5)cn4)[nH]c3c2)cc1N 587165016 IQAADGAGQJWXQW-UHFFFAOYSA-N 398.445 4.445 0 1 GIAF COc1ccc(NC(C)(C)c2nc3c(F)cnc(Br)c3[nH]2)cc1 587201206 JYHRKUMPGAFCCG-UHFFFAOYSA-N 379.233 4.215 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(CC3(CCCN(C(=O)OC(C)(C)C)C3)C1)O2 587399586 KOQMYOJROJZLKS-UHFFFAOYSA-N 386.492 4.092 0 1 GIAF CCOc1ccccc1-n1cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432637 XWCDZLSAPPEYSN-MWTRTKDXSA-N 375.424 4.373 0 1 GIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O 587482132 ZEXPZTWPNLPCDJ-KUHUBIRLSA-N 389.492 4.326 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c4c(c1O)CCCN4CCC3)CC2=O 587483277 LOSPHLWUXKGMGC-OAQYLSRUSA-N 393.483 4.456 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(O[C@H](C)C(=O)O)c1)CC2=O 587486612 RVJJRFXCFAMMEN-MCMMXHMISA-N 384.428 4.077 0 1 GIAF COC(=O)[C@@H](C)[C@]1(c2ccc(OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587527125 VGADFPQMXKMRFA-MYYSRTQBSA-N 394.467 4.244 0 1 GIAF Cn1cnnc1Sc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)o1 587533783 VRCRXQBMZCXMRP-QGZVFWFLSA-N 381.457 4.145 0 1 GIAF C[C@@]1(C(=O)c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572985 UHYDBQMXXZGLNJ-XMSQKQJNSA-N 378.355 4.135 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccc(O)c2n1 587587641 PDDHQPFALWVENO-XXBNENTESA-N 385.375 4.349 0 1 GIAF CCOC(=O)c1ccsc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614849 VLDAPISGINLZIA-VQIMIIECSA-N 396.420 4.333 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)cc2F)N1 587724661 KXSNJOHOYORLFE-PWJLMRLQSA-N 382.204 4.049 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(CCC(=O)c3cc(C)ccc3OC)nc2c1 587786568 HTCVDFJOESGKHV-UHFFFAOYSA-N 386.835 4.135 0 1 GIAF COc1nccc2[nH]cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c12 587801620 HMMXUNQUXWXIMM-VVVCHXIZSA-N 390.256 4.097 0 1 GIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C)c(Br)cc3[nH]2)cc1 587938103 SDSQYCOMCHFEMX-PIGZYNQJSA-N 375.266 4.480 0 1 GIAF CCOC(=O)[C@]1(c2cccc(C)c2C)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962637475 XDJPDIIHOQQGTM-FYSMJZIKSA-N 397.515 4.004 0 1 GIAF O=C1Nc2cc(Cl)c(F)cc2[C@]12c1ccsc1CCN2Cc1ccco1 962700487 BMMJXJWYDKJKAC-LJQANCHMSA-N 388.851 4.388 0 1 GIAF COc1ccc2cc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)c(O)nc2c1 963114247 SQKVQJSMMIZRFG-GOSISDBHSA-N 375.255 4.491 0 1 GIAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3ccc(O)cc3)nn3ccnc23)n1 1772638955 NSOUPHRLHHDPLV-HNNXBMFYSA-N 386.459 4.229 0 1 GIAF COC(=O)[C@@H]1CC[C@H]2[C@]3(CC[C@H]4C(C)(C)CCC[C@]42C)[C@H](OC(C)=O)OC[C@@H]13 2356478162 VAPHQACZBDNZOJ-QUOOPZKBSA-N 392.536 4.334 0 1 GIAF COC(=O)C=C1CC[C@]2(O1)[C@H](C)CC[C@@H]1C(C)(C)[C@@H](OC(C)=O)CC[C@@]12C 2356611082 IFXOQBCVGIFCLI-JPPGZHGXSA-N 378.509 4.397 0 1 GIAF OCC1(Cc2ccc(Cl)cc2)CCN(Cc2ccc3nsnc3c2)CC1 12431800 VUQBQGWRKWHHEH-UHFFFAOYSA-N 387.936 4.162 0 3 GIAF CC(C)c1cccc(C(C)C)c1OC(=O)NS(=O)(=O)N(C(C)C)C(C)C 604993 SKIQKIYWFWJXKP-UHFFFAOYSA-N 384.542 4.385 0 1 GIAF COC(=O)[C@H]1[C@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@H]1O2 13764459 IXQQMWIAXLMOHP-MTQWCTHYSA-N 388.410 4.180 0 1 GIAF COc1cc(Cl)ccc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 26835401 NYKHMWVVGNMFGN-KRWDZBQOSA-N 382.287 4.282 0 1 GIAF CC(=O)Nc1cc(C(=O)O)cc(OCc2ccccc2)c1C(=O)c1ccccc1 39222840 LAJACGWRUXFRCT-UHFFFAOYSA-N 389.407 4.153 0 1 GIAF CNCC(=O)CC1=C(C)/C(=C/c2ccc([S@@](C)=O)cc2)c2ccc(F)cc21 43076547 FYNTVQQZPGGYEH-FZCRJLPJSA-N 383.488 4.069 0 1 GIAF NC(=O)c1cccc(-c2ccc(NC(=O)CCCCN3CCCCC3)cc2)c1 45245790 CGCIVWWRUWYOGV-UHFFFAOYSA-N 379.504 4.047 0 1 GIAF CC(=O)c1ccc(OCCCN2CCN(Cc3ccc(Cl)cc3)CC2)cc1 49803913 POBXVERMZLILOU-UHFFFAOYSA-N 386.923 4.129 0 1 GIAF Cc1ccc(CNc2ncnc3ccc(-c4ccc(C(=O)N(C)C)o4)cc23)o1 66124604 HPBXSRKRBLLKSE-UHFFFAOYSA-N 376.416 4.105 0 1 GIAF CCn1ccc2cc(-c3cnc(N)nc3-c3ccc(OC)c(OC)c3O)ccc21 71296688 OAPQKKWKHDCVNE-UHFFFAOYSA-N 390.443 4.090 0 1 GIAF Cc1nnsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)c(F)c1 116815186 UOXHLYMLCPPNGX-UHFFFAOYSA-N 383.452 4.178 0 1 GIAF CNC(=O)c1cc(Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)ccc1N 210718523 WLRRDZZLCUZBHI-UHFFFAOYSA-N 395.846 4.326 0 1 GIAF CC(=O)OC/C(=C\CC/C(C)=C\CO)[C@H]1CC=C(CCC=C(C)C)C(=O)O1 523042038 DBVLRYKUPZMATI-SVKHRPPFSA-N 376.493 4.183 0 1 GIAF biogenic NC(=S)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586992967 CBISBIWZNXOKKK-UHFFFAOYSA-N 397.459 4.474 0 1 GIAF Brc1ccc(-c2nc3c(I)cccc3[nH]2)o1 587006693 AIRSHPCBCNLHGR-UHFFFAOYSA-N 388.990 4.190 0 1 GIAF CC(C)Oc1cc2nc(-c3cnc([C@@H](C)O)s3)[nH]c2cc1Br 587021318 HIYXHBJTBVFLNK-MRVPVSSYSA-N 382.283 4.289 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)C(F)(F)F)n1 587094954 WVNIYONDAJGYAR-LBPRGKRZSA-N 397.209 4.022 0 1 GIAF O=C1c2ccc(O)cc2OC2(CSCCSC2)[C@H]1c1ccc(F)cc1 587375230 RUPJWSVYIFWIJF-KRWDZBQOSA-N 376.474 4.109 0 1 GIAF Cc1ccc([C@]2(COCC(F)(F)F)CC(=O)c3cc(C)cc(N)c3O2)cc1 587380209 CMWDOMHRQBLLOE-LJQANCHMSA-N 379.378 4.325 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ncc(F)cc12 587571269 PZOQFXBFYZVEGA-XLIONFOSSA-N 376.343 4.111 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)nc1 587591940 GNXFTOKCZDHJTQ-OFNKIYASSA-N 388.423 4.090 0 1 GIAF C[C@H](O)[C@@]1(c2cccc(Cl)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587696161 CXFQQNWQGCDDIN-DDBGAENHSA-N 398.703 4.400 0 1 GIAF Cc1nc2c(C)cccn2c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587772149 DRQWZFICOPFAIM-APPDUMDISA-N 388.284 4.476 0 1 GIAF Cc1nc2ccccc2nc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587776121 BDMPETYXCLNHQU-DGIBIBHMSA-N 386.268 4.463 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-c3ncon3)c2)N1 587794369 MCILGSSOVKNBTO-BTDLBPIBSA-N 388.240 4.262 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC2CCCCC2)(C(=O)O)N1 587828685 PJMQEIZXAOZWGR-VOJFVSQTSA-N 384.289 4.373 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccc(O)cc32)N1 587834687 STNFVHINPBWMKR-WYRIXSBYSA-N 376.269 4.408 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)CCO3)N1 587836702 XKLNVWLNGANPFY-WYRIXSBYSA-N 376.269 4.321 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H]2CCOC2)N1 587837137 ZRTNNJNLQTWMPK-JOTOCRJQSA-N 390.296 4.403 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3nsnc3c2)N1 587858859 UTNBKVYOASLLRK-ZKANADHPSA-N 378.270 4.217 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(NC(=O)C(C)C)cc1 587870441 IOKFXHXGKHKEFI-UHFFFAOYSA-N 395.434 4.371 0 1 GIAF CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2c2c1OCCO2 653857053 WHZWIUHEEWZECR-UHFFFAOYSA-N 375.787 4.336 0 1 GIAF CC(=O)CSc1nc(Nc2ccccc2)c2c3c(sc2n1)CN(C)CC3 958066003 FNMFFLPCLLZMSY-UHFFFAOYSA-N 384.530 4.104 0 1 GIAF CC1=C(C(=O)O[C@H](C)C(F)(F)F)[C@@H](c2ccco2)N2C(=N1)Nc1ccccc12 1857555421 WEBDASJNSDOZKP-BDJLRTHQSA-N 391.349 4.390 0 1 GIAF Cc1cc(OCC(=O)O[C@@H](C)CCN)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857759030 ZTVKHLCBXSWUGS-SFHVURJKSA-N 399.531 4.383 0 1 GIAF CC(=CCC[C@]1(C)Oc2c(C=O)c(C)cc(O)c2C[C@H]1O)CCCC(C)(C)O 2356325422 XNGJIAMDQGOCBU-OFNKIYASSA-N 390.520 4.235 0 1 GIAF O=C(Nc1cccc(Cl)c1)N1CCC(CO)(CCOc2ccccc2)CC1 11944276 AZWZCSJLCXCQHY-UHFFFAOYSA-N 388.895 4.416 0 3 GIAF CC(C)NC(=O)c1cc([C@@H]2CCCCN2C(=O)c2ccc(C(C)C)cc2)on1 61929664 KCBMOPAFRVUFIQ-IBGZPJMESA-N 383.492 4.304 0 3 GIAF CCOC(=O)c1ccc(OCCCCC2CCN(c3ccc(C)nn3)CC2)cc1 6403741 AQILFLLHLFBLLG-UHFFFAOYSA-N 397.519 4.427 0 1 GIAF in-vivo O=S(=O)(c1ccccc1)c1c(C2=NCCS2)[nH]c2ccc(Cl)cc12 6581573 STOLNPJKXCPOCG-UHFFFAOYSA-N 376.890 4.148 0 1 GIAF CNC(=O)c1ccc(-c2nnc3ccc(Sc4ccc(F)cc4F)cn23)cc1 35901153 GTOODWLUSAUXSB-UHFFFAOYSA-N 396.422 4.185 0 1 GIAF CCN(CC)CC(=O)N[C@@H]1C[C@H](c2ccccc2)Oc2c(C)c(C)c(O)c(C)c21 40407389 VKPOHYWNQXRRHX-WOJBJXKFSA-N 396.531 4.340 0 1 GIAF CCN(CC)CC(=O)N[C@@H]1C[C@@H](c2ccccc2)Oc2c(C)c(C)c(O)c(C)c21 40407397 VKPOHYWNQXRRHX-UXHICEINSA-N 396.531 4.340 0 1 GIAF CN1C(=O)/C(=C/c2cccc(/C=C3/C(=O)N(C)c4ccccc43)n2)c2ccccc21 40917512 URPOJVRZKAIWDY-OZNQKUEASA-N 393.446 4.116 0 1 GIAF CCSC(=S)SCC(=O)c1ccc(NC(=O)c2cccnc2)cc1 40935869 PKCIYQRNTBVWMY-UHFFFAOYSA-N 376.528 4.288 0 1 GIAF CNC(=O)CC[C@]1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 49020519 ANRFQNJNXPRQGM-JOCHJYFZSA-N 399.922 4.432 0 1 GIAF Cc1[nH]c2ccccc2c1-c1ccnc(N2CCN(c3ccc(F)cc3)CC2)n1 72107159 AJSVUPMRZUQVSP-UHFFFAOYSA-N 387.462 4.399 0 1 GIAF CSCC[C@H](Nc1nc(-c2ccccc2C)cs1)C(=O)NCC(C)C 82191854 MBDSYFLLYFNVOG-INIZCTEOSA-N 377.579 4.424 0 1 GIAF Cc1ccnc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)c1 116825599 VCISZKSRTCANSE-HDICACEKSA-N 389.524 4.327 0 1 GIAF Cc1ccc2c(c1)c(Br)c1n2CCN2C(=O)c3ccccc3N(C)[C@@H]12 221984684 VSVSRGIOONEOIE-LJQANCHMSA-N 396.288 4.317 0 1 GIAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)c(Cl)c1 253850740 GBSHIUSLZXGHTO-YTEUYLGWSA-N 396.712 4.142 0 1 GIAF COc1cc(OC)c(C(=O)Nc2ccc(-c3ccncc3)cc2F)cc1OC 299831017 HZAQMWWEOYQOMR-UHFFFAOYSA-N 382.391 4.166 0 1 GIAF OCc1cccc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 586895206 UVIRILDAOGVHGO-UHFFFAOYSA-N 387.155 4.383 0 1 GIAF Cc1csc([C@](O)(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)C(F)(F)F)n1 587093924 ICAZPMQHXQFDFO-CYBMUJFWSA-N 395.328 4.339 0 1 GIAF Cc1cnc(Cl)c2[nH]c(-c3cc(I)ccc3F)nc12 587182233 GEAKXOXSKQJMDB-UHFFFAOYSA-N 387.583 4.330 0 1 GIAF COC(=O)c1cc2[nH]c(-c3cccnc3NCc3ccccc3)nc2cc1OC 587230813 ZXLCXEJCKNVBGQ-UHFFFAOYSA-N 388.427 4.032 0 1 GIAF COc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1N 587337355 OZWHDGCYSINQEU-FYYLOGMGSA-N 393.414 4.396 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc4c(cc3nc1Cl)OCCO4)O2 587380281 SLTYVFOJYTWWDE-KRWDZBQOSA-N 396.830 4.257 0 1 GIAF C=CN1CCCC[C@@H]([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587393359 GYNHRQMHDWKYQL-NTKDMRAZSA-N 390.483 4.210 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](c2ccccc2)[C@]12CC(=O)c1cc(C)cc(N)c1O2 587398304 DJPNMVDYZFDPDO-IEGUWTFLSA-N 379.456 4.038 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(c3ccccc3)CCC3(CC1)OCCO3)O2 587406362 BTZUAYPDSYYZAA-OAQYLSRUSA-N 393.483 4.166 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc4cc(Br)cnc4c1)[C@@H](C2)C3=O 587416758 DVNKIJWHRNPCFI-MGPUTAFESA-N 396.240 4.495 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ncccc1Br)CC2=O 587457137 FSTOKXAJJGAVHZ-SFHVURJKSA-N 376.250 4.383 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(CC(=O)O)c3ccccc13)CC2=O 587468848 BJQCBXLGHARORC-FQEVSTJZSA-N 393.439 4.399 0 1 GIAF CCC(C)(C)c1ccc(OCc2nc3nc(Br)c[nH]c-3n2)cc1 587565033 UURCDBSBUOBZNJ-UHFFFAOYSA-N 375.270 4.334 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnn1-c1ccccc1 587582383 PBWZYIYZBVYZSK-REWPJTCUSA-N 384.391 4.281 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(O)c2ccccc12 587586880 KZXSGANNPBSFRH-UGKGYDQZSA-N 385.375 4.349 0 1 GIAF COc1cc(OC)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587600536 OHQQAUNWTQQEEX-KNQAVFIVSA-N 378.380 4.112 0 1 GIAF Cc1cc(C(=O)O)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587610728 RIEOKHNYKLPCDJ-RXVVDRJESA-N 376.364 4.102 0 1 GIAF COc1ccc2c(c1F)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587738144 KIQJSELCWWGFII-GIGQVBGESA-N 394.259 4.460 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(N)CC[C@@]2(C)C3(C)C)N1 587745698 KGCPOVOUYHNYOJ-QZSLJVFJSA-N 381.333 4.245 0 1 GIAF CCCn1nc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587757561 ORIUMBBCIPJIJJ-XTZNXHDOSA-N 380.305 4.435 0 1 GIAF C=C1C=C(C)n2c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc2N1 587776405 XMKMOEJGQXULIU-BTDLBPIBSA-N 389.272 4.208 0 1 GIAF Cc1cc(C(=O)O)sc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587845757 SCFNERBFBQXLAR-RTHLEPHNSA-N 384.270 4.280 0 1 GIAF CCSc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C 587848046 WCUHSENEKJLACO-VFZGTOFNSA-N 384.318 4.057 0 1 GIAF O=C(O)c1cccc(-c2cccc(-n3c(O)cc(-c4ccc(F)cc4)c3O)c2)n1 587938411 VPVBYENIHZNAEH-UHFFFAOYSA-N 390.370 4.455 0 1 GIAF COc1ccc(OC)c(-c2cc(-c3ccc(C(=O)N4CCCC4)s3)on2)c1 653838529 QENQPXNPLKIJAV-UHFFFAOYSA-N 384.457 4.323 0 1 GIAF CCCc1ccc([C@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)s1 962638697 NKWUXDZDTARPAI-ZBFHGGJFSA-N 385.407 4.288 0 1 GIAF Cc1ccc([C@@]2(c3ccc(Cl)nc3)NCCc3c2c(C(C)C)nn3C)cc1 962925154 YBCCGXHDMROAOG-QFIPXVFZSA-N 380.923 4.338 0 1 GIAF CC(C)C[C@@H](N)[C@]1(C(F)(F)F)c2ccsc2CCN1Cc1cccnc1 962991895 FTYHMNIBELHCIG-MSOLQXFVSA-N 383.483 4.332 0 1 GIAF C[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12NCCc1cc(Cl)ccc12 963391424 SVLSUKUNELBMMB-OPAMFIHVSA-N 384.907 4.360 0 1 GIAF COc1cc(-c2nc(-c3ccnc(CF)c3)c3n2CCOCC3)ccc1Cl 1772632308 BCKKOUCXWSSIQF-UHFFFAOYSA-N 387.842 4.316 0 1 GIAF Cc1ccccc1-c1cccc(COc2ccc(S(=O)(=O)CC(=O)O)cc2)c1 1857760826 XRDRLAJRTLFMLC-UHFFFAOYSA-N 396.464 4.099 0 1 GIAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]3CCC4=C(C(=O)NC4=O)[C@]3(C)[C@@H](O)C[C@H]21 2356847112 OTTQUFPARHXAJM-ISZISXHDSA-N 399.575 4.369 0 1 GIAF CN(C)CCOc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1 1486053 ZJSRFPPWMSAHCM-UHFFFAOYSA-N 399.498 4.047 0 1 GIAF COC(=O)[C@@H]1[C@@H](O[C@@H](c2ccccc2)c2ccc(C)cc2)C[C@@H]2CC[C@H]1N2C 27213121 KVVSZDPIQNKZIJ-SPHOGXRMSA-N 379.500 4.125 0 1 GIAF Ic1ccc(CN2CCCCC2)cc1CN1CCCCC1 28000667 OXQSHUAYKOAHPF-UHFFFAOYSA-N 398.332 4.263 0 1 GIAF CN1CCC[C@@H]1Cc1cn(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc12 28121735 UKKAXWAHUHWUQF-QGZVFWFLSA-N 388.920 4.168 0 1 GIAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NC3CCCCC3)n2)cc1 34035599 SFTDLGJIDMULGE-UHFFFAOYSA-N 399.438 4.311 0 1 GIAF Cc1nn(C)c(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1Br 34302345 NGROPWHKWCULHH-NSHDSACASA-N 378.314 4.280 0 1 GIAF COc1cc(OC)c2c(OC(=O)c3cccc(Br)c3)ccnc2c1 45300021 WOLZBJRQHHAPCV-UHFFFAOYSA-N 388.217 4.234 0 1 GIAF NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2CC1CCCCC1 49021127 BFLMKJRVPWWRGY-UHFFFAOYSA-N 397.910 4.376 0 1 GIAF CC(=O)N1CCC(Nc2ccc3[nH]nc(-c4cc5ccc(C)cc5[nH]4)c3c2)CC1 66077220 IDRFTNZFOBWQKE-UHFFFAOYSA-N 387.487 4.442 0 1 GIAF CCN(CC)c1nc(NCc2ccccc2C)nc(Oc2ccc(OC)cc2)n1 82066238 MQVBKMNCEMGWJQ-UHFFFAOYSA-N 393.491 4.439 0 1 GIAF CC[C@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1ccccc1F 82152541 PKJZZLFLXHEXGD-JYJNAYRXSA-N 384.499 4.293 0 1 GIAF COc1ccc(CNc2cc(-c3cc(Cl)ccc3OC)ncn2)cc1OC 82161236 ZYKOMTVYKXAPFK-UHFFFAOYSA-N 385.851 4.435 0 1 GIAF COCCn1c(-c2ccsc2)nc2c(NCc3cccc(Cl)c3)ncnc21 82181229 RHBIHCWSJRVHHS-UHFFFAOYSA-N 399.907 4.467 0 1 GIAF Fc1ccc(CNc2ccnc(NC3CCN(Cc4ccccc4)CC3)n2)cc1 84758028 FFPGDISVVGINKZ-UHFFFAOYSA-N 391.494 4.304 0 1 GIAF CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(OC)c(F)c2)C1 95598006 YRTHTJJYUWMXJC-UHFFFAOYSA-N 383.463 4.099 0 1 GIAF COC(=O)CC1=C(Cc2ccccc2)C[C@@H]2[C@@H](Cc3ccccc3)C[C@@H]1N2C 169295187 UPUHZXXATZMRQT-QTJGBDASSA-N 375.512 4.424 0 1 GIAF CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C1(O)CCCCC1)C=C/C=C/3CO 169296448 JDSAJKMBHSVGSW-DKCORILUSA-N 386.532 4.177 0 1 GIAF CCCCNC(=O)[C@H]1C(C)=Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 169720755 IRDRQDLCRGLRFE-IRXDYDNUSA-N 379.291 4.418 0 1 GIAF Cc1nnc(-c2ccc(Nc3nc4n(n3)CCC[C@@H]4c3ccc(F)cc3)cc2)o1 299826362 HABKWGAMOAYFIB-GOSISDBHSA-N 390.422 4.445 0 1 GIAF CS(=O)(=O)c1cccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 586926238 MKVXQBPRQNZZSI-UHFFFAOYSA-N 378.453 4.212 0 1 GIAF O=[S@](Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)CC1CC1 586959696 PITJZOYFNPDFFG-NRFANRHFSA-N 381.217 4.003 0 1 GIAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586961376 HXTJZHCYBGSPFV-LURJTMIESA-N 387.412 4.106 0 1 GIAF N=c1[nH]c2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc-2c(Cl)[nH]1 587015568 QDFRZZLPQMWJCT-UHFFFAOYSA-N 397.678 4.468 0 1 GIAF COc1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587028389 XOPGKZIMMUMRCG-OIISXLGYSA-N 396.516 4.103 0 1 GIAF O=C(c1ccccc1)c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1 587123902 KXIYHHSAPRVELS-UHFFFAOYSA-N 379.366 4.500 0 1 GIAF COc1ccc(Cn2nc(C)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)cc1 587388825 BGFRLBHZOKCHSZ-OAQYLSRUSA-N 391.471 4.154 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCOC3=O)cc1)CC2=O 587474915 KYGPDFXTQOAJMK-QFIPXVFZSA-N 381.428 4.182 0 1 GIAF COCOc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594246 NMLGWDNYMIUQLW-UGKGYDQZSA-N 378.380 4.078 0 1 GIAF O=C(CCOc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659944 LIKVGGDIRGVCBB-UHFFFAOYSA-N 388.398 4.312 0 1 GIAF Cc1nc2ccccn2c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587773061 HSIZLPJHSBBMKU-WYRIXSBYSA-N 388.284 4.342 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cnc3ccccc3n2)N1 587779416 SEDFRRZSRUJBLH-NSPYISDASA-N 386.268 4.329 0 1 GIAF CCOC(=O)[C@@H]1[C@H](C)CC=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587798521 OTFDEHBGKVYVBM-XHUIJJHTSA-N 396.300 4.093 0 1 GIAF CCOC(=O)[C@@H]1CCCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587799223 RCYQKUBFYCCZDA-UHYGZKCKSA-N 398.316 4.461 0 1 GIAF COc1cc(OC)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587806261 HEEREHZVGANGAB-MLCYQJTMSA-N 380.257 4.229 0 1 GIAF C[C@H](O)Cc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587835107 UXVJBNURKMFENP-ZKTNFTSUSA-N 378.285 4.135 0 1 GIAF CC[C@H](C(=O)n1nc2cc1Oc1ccc(F)cc1-2)n1cc(Br)cn1 587872046 GDXPTFXLCNSNDC-CYBMUJFWSA-N 391.200 4.045 0 1 GIAF CCCCc1ccc(NC(=O)CSc2n[nH]c(-c3ccccc3N)n2)cc1 653818673 XWCNMIUIOIZJDM-UHFFFAOYSA-N 381.505 4.127 0 1 GIAF COc1ccc2c(c1OC)[C@](Cc1ccccc1)(c1ccccn1)N(C)[C@@H](C)C2 962565662 IFBJBZSRQPETQQ-BVZFJXPGSA-N 388.511 4.462 0 1 GIAF COc1cc2c(cc1OC)[C@]1(CCCc3c1ccc(OC)c3OC)N(C)[C@H](C)C2 962640801 RWWKNTDBVDOQSH-OYLFLEFRSA-N 397.515 4.177 0 1 GIAF FC(F)(F)c1cccc(-n2cc(CN3CCc4c([nH]c5ccccc45)C3)nn2)c1 1857535806 VEKPMSBODTZAMG-UHFFFAOYSA-N 397.404 4.326 0 1 GIAF O=C(NCCCCc1ccccc1)[C@@H]1CC(c2ccc(C(F)(F)F)cc2)=NO1 13478304 CMBJSUIBGGTGAZ-IBGZPJMESA-N 390.405 4.338 0 3 GIAF COc1ccc(Nc2nc3ccc(C(F)(F)F)cc3nc2C(=O)O)cc1OC 1647662 AEFZILOFLIFSQA-UHFFFAOYSA-N 393.321 4.108 0 1 GIAF CSc1ccccc1NC(=O)CSc1nnc(C)n1-c1ccc(C)cc1 6056718 MUQIQRINUCWAMO-UHFFFAOYSA-N 384.530 4.337 0 1 GIAF CC(C)N(C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1)C(C)C 13528998 YHCMGBVTONMCJM-OAQYLSRUSA-N 383.532 4.361 0 1 GIAF O=C(CCc1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1 13679928 WDGCODWBOPQQKR-UHFFFAOYSA-N 376.544 4.106 0 1 GIAF Nc1c(C(=O)c2cccc(Oc3cccnc3)c2)cnn1-c1ccc(F)cc1F 14959500 PERCBPSYBMFECH-UHFFFAOYSA-N 392.365 4.151 0 1 GIAF O=C(c1ccc(Cl)cc1Cl)[C@](O)(Cn1cnnc1)c1ccc(Cl)cc1 26013695 RZGGYANBKWXXOD-KRWDZBQOSA-N 396.661 4.009 0 1 GIAF C[C@H](Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12)C(F)(F)F 33987637 MGSIJDCPNJZOHF-YFKPBYRVSA-N 395.694 4.225 0 1 GIAF Cc1ccc(NC(=O)N2CCN(Cc3sc4cccc(F)c4c3C)CC2)cn1 43076468 HHCRNKZDRZPRGP-UHFFFAOYSA-N 398.507 4.402 0 1 GIAF Fc1cc(Br)ccc1Nc1ncnc2cc3c(cc12)OCCCO3 45373585 KJKMZBZIBUMCIL-UHFFFAOYSA-N 390.212 4.436 0 1 GIAF COc1cc(/C=C\c2nnc(/C=C\c3ccc(O)c(OC)c3)s2)ccc1O 73295147 PCZBKAXPWQZFKL-OZDSWYPASA-N 382.441 4.307 0 1 GIAF O=C(N[C@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@@H]12)C1CCCC1 84668441 BHDAQBGVRSBNDU-UHOSZYNNSA-N 380.454 4.222 0 1 GIAF CCOC(=O)c1c(OC2C[C@H](C)C[C@@H](C)C2)cc(Cc2ccccc2)[nH]c1=O 95587575 LTKIRDKUFBSJQP-HZPDHXFCSA-N 383.488 4.346 0 1 GIAF O=C(Nc1ccccc1S(=O)(=O)c1ccccc1)c1cc(Cl)ccc1O 95593820 BQAMHLDPRBDRJF-UHFFFAOYSA-N 387.844 4.131 0 1 GIAF C/C=C/c1ccc([C@H]2[C@@H](CNC(C)C)N(c3nc(CC)cs3)[C@H]2CO)cc1 95894957 JGSPVHKLUFJULS-BSAYOJLZSA-N 385.577 4.070 0 1 GIAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(-c3ccccc3C(C)=O)cc1)N2C 100801418 IKFLALJPMIMFEC-FDTGPBLFSA-N 377.484 4.296 0 1 GIAF Cc1nc(/C=C/[C@@H]2C/C=C/CCC[C@@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O2)cs1 169369719 OAXHQZGPHDPLOS-OWDOMYQPSA-N 391.533 4.099 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CN=C4CC(=O)[C@@H](C)C[C@]4(C)[C@@H]3CC[C@]12C 169714082 YVZMTHUNKWMORW-ADOINBOHSA-N 386.580 4.373 0 1 GIAF COc1ccccc1C(=O)NC[C@H](CC1CC1)c1ccc(C(F)(F)F)nc1 207684383 DZWUVSYGHZYLJU-HNNXBMFYSA-N 378.394 4.423 0 1 GIAF CCN(c1ccccc1)c1cnc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1 222453697 ZCZUSZGYIKHCLA-UHFFFAOYSA-N 383.455 4.069 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3cccc(N(C)C)c3)cc2)C[C@H]2CC[C@H]1N2C 261101669 GLJUXNMBHHRFQA-ODAXIHTASA-N 378.516 4.159 0 1 GIAF COc1cc(/C=C/c2nc3cc(C(=O)O)c(F)cc3[nH]2)ccc1Br 586978126 XQRYTJNWNCOMQB-HWKANZROSA-N 391.196 4.342 0 1 GIAF Fc1c(Br)ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587040270 GTDZLTYIZLCPEN-KGLIPLIRSA-N 392.297 4.411 0 1 GIAF Cc1cc2nc(-c3cccc(=O)n3CCOc3ccccc3Cl)[nH]c2c(C)n1 587064094 MFJGFSBMJXGLBO-UHFFFAOYSA-N 394.862 4.136 0 1 GIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(F)c(F)cc2[nH]1 587113132 OKOQXJNAQUMIIY-KRWDZBQOSA-N 383.320 4.260 0 1 GIAF COc1cc(-c2nc3c(C)nccc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144203 UVXHRTSANHSMBI-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF CCOC(=O)CC[C@@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344034 BJGLYJGIFVNQEB-GMAHTHKFSA-N 398.430 4.382 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCCc3[nH]c(O)cc32)[C@@H]1c1ccc(F)cc1 587347632 PGJMHKCLDRDYJE-IRLDBZIGSA-N 379.387 4.156 0 1 GIAF Cc1c(C(F)(F)F)n[nH]c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552988 CTOLXVGRXCPSNY-DYVFJYSZSA-N 390.317 4.145 0 1 GIAF CC(=O)Nc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578206 MYKHVBADONRMHO-DENIHFKCSA-N 375.380 4.054 0 1 GIAF Cn1nc(-c2ccccc2)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581789 MSNQXQMEVGYJNA-ZJSXRUAMSA-N 398.418 4.496 0 1 GIAF CCOC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccc(Br)cc1 587632806 QZNNPEQAORDQQS-UHFFFAOYSA-N 390.208 4.477 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(C2CC2)N1 587775389 ZSZLZNHIWKOLAA-BLVKFPJESA-N 375.285 4.365 0 1 GIAF COc1ccc2c(c1)[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808632 OARYKOPVUMACNN-WLRWDXFRSA-N 376.269 4.321 0 1 GIAF COc1ccc2c(c1)OC=C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587840306 IETZIKYDFLAKSW-JEOXALJRSA-N 390.252 4.281 0 1 GIAF COc1ccc2c(c1OC)[C@](Cc1ccccc1)(c1ccccn1)N(C)[C@H](C)C2 962565665 IFBJBZSRQPETQQ-CJAUYULYSA-N 388.511 4.462 0 1 GIAF C[C@]1(c2cccc(Nc3ccccc3)c2)N[C@H](C(=O)O)Cc2cccc(F)c21 962926684 ZBMZMBCHSUTDED-NZQKXSOJSA-N 376.431 4.432 0 1 GIAF Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc3nc[nH]c3c2)c1 1772633132 FARVPJMTWVKGMK-UHFFFAOYSA-N 392.480 4.424 0 1 GIAF CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@H]3CCCC[C@@H]3O)nc12 1857571156 FEWLFECITKFLDY-QUCCMNQESA-N 393.535 4.428 0 1 GIAF CCO[C@H](CC(=O)O)c1ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)cc1 1857656067 CTWZMWYDKBXMDV-SJLPKXTDSA-N 392.835 4.111 0 1 GIAF NC(=O)c1ccc(Oc2cccc(C(=O)N3CC[C@H](c4ccccc4)C3)c2)cc1 1857753062 WDWIGSXTKMTQPI-FQEVSTJZSA-N 386.451 4.208 0 1 GIAF CCCCCCc1ccc(Nc2nc3nonc3[nH]c2=O)c(OC(F)(F)F)c1 1911581610 OCHUSERQSNIRCZ-UHFFFAOYSA-N 397.357 4.071 0 1 GIAF COc1ccc(OC[C@@H]2c3cccn3CCN2C(=O)c2cccc(Cl)c2)cc1 1911582670 MSEYNGCVBYZQIF-OAQYLSRUSA-N 396.874 4.426 0 1 GIAF COc1cc2c3c(c1OCC1CC1)-c1cc(N(C)C)ccc1C[C@@H]3N(C)CC2 1911584619 BSFCQYXCEBCJRB-FQEVSTJZSA-N 378.516 4.302 0 1 GIAF CS(=O)(=O)c1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 13588878 TWTFQINVQDEDNP-UHFFFAOYSA-N 398.267 4.098 0 1 GIAF Cc1ccc(-c2nc(COc3ccc(C[C@H](OC(C)C)C(=O)O)cc3)no2)cc1 26470009 JQGIWQISSXIVBM-IBGZPJMESA-N 396.443 4.045 0 1 GIAF CCCC(=O)Nc1ccc(OC[C@H](O)CNC(C)C)c2c1[C@H]1CCCCC[C@@H]21 27872262 YLBWVHADZBYSLQ-FGTMMUONSA-N 388.552 4.308 0 1 GIAF Cc1cc(NC(=O)c2c(NCc3ccncc3)cnn2C)ccc1C(F)(F)F 28890033 YSSBFDUPJYHIMF-UHFFFAOYSA-N 389.381 4.007 0 1 GIAF Cc1ccc(-c2nc(C(=O)N(C)CC(=O)OCCC3CCCCC3)co2)cc1 82074041 ZKBFNPWHQVCSME-UHFFFAOYSA-N 384.476 4.236 0 1 GIAF COCCn1c(-c2ccc(Cl)cc2)nc2c(NCc3cccs3)ncnc21 82190086 LLBUVMLDLWMBRG-UHFFFAOYSA-N 399.907 4.467 0 1 GIAF COc1ccc(-c2c3ncn(C)c3cc3cc(OC)c(OC)c(OC)c23)cc1 96938726 OLBMKRSFNRNSHX-UHFFFAOYSA-N 378.428 4.428 0 1 GIAF O=C1CCc2cc(C(=O)NC[C@H]3CC[C@@H](COc4ccccc4)CC3)ccc2N1 101118748 JKYITKVNEQLOBU-IYARVYRRSA-N 392.499 4.187 0 1 GIAF COc1cc(F)c(C(=O)Nc2ccc(-n3cnc(Cl)c3)c(OC)c2)c(F)c1 103235466 YOLBSDZBXNNGGG-UHFFFAOYSA-N 393.777 4.073 0 1 GIAF COCCOC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N1CCCC1 103239799 XLWWIGCIKXBHTB-UHFFFAOYSA-N 386.496 4.406 0 1 GIAF COc1ccc(-n2c(O)cc(NNc3ncc(Cl)cc3Cl)c2O)cc1 169690025 KSTQHOAVVBOECJ-UHFFFAOYSA-N 381.219 4.038 0 1 GIAF COC(=O)[C@@H]1CC[C@@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]23[C@@H](OC(C)=O)OC[C@H]13 238786269 VAPHQACZBDNZOJ-MCCAHUNOSA-N 392.536 4.334 0 1 GIAF Clc1cnc2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 587000614 IPEYEZGRRSXOQQ-OWOJBTEDSA-N 392.640 4.315 0 1 GIAF COC(=O)c1cc2nc([C@H](N)c3ccsc3)[nH]c2c(F)c1Nc1ccccc1 587025649 PHPQMMUJHLQFFL-MRXNPFEDSA-N 396.447 4.342 0 1 GIAF CN(C)C(=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587134763 OFQPQZDSDCJXSC-XQRVVYSFSA-N 381.304 4.131 0 1 GIAF C[C@]1(c2nc3cc(Br)cc(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173705 HCYIHIGOMKXHND-QGZVFWFLSA-N 393.187 4.232 0 1 GIAF COC(=O)c1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587189403 BWJIVUJLJGITCD-GOSISDBHSA-N 395.459 4.306 0 1 GIAF Cc1cnc2[nH]c(-c3ccc(CNC(=O)OC(C)(C)C)nc3C3CC3)nc2c1 587231418 AQRWAXXEAHQMAN-UHFFFAOYSA-N 379.464 4.230 0 1 GIAF C[C@H](O)[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371673 COVZZLTWVBZRDS-DRAMBROLSA-N 384.428 4.228 0 1 GIAF CCOC(=O)C[C@@]1(Cc2cc(C)cc(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587399144 ILOBQLFMJCZANN-HSZRJFAPSA-N 381.472 4.094 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H](C(F)(F)C(=O)OCC)C1)CC2=O 587463344 XJMUROTYJKRXBP-CWTRNNRKSA-N 382.403 4.047 0 1 GIAF O=C(Cc1ccc(F)cc1F)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658935 VJHVUXMTEWLSQA-UHFFFAOYSA-N 394.352 4.364 0 1 GIAF O=C(Cc1noc2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661220 UULUMBONEAIFKL-UHFFFAOYSA-N 399.381 4.227 0 1 GIAF CC(C)Oc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587769540 GOYUOFPVZCNUTD-ADLMAVQZSA-N 379.273 4.394 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccc(O)c3n2)N1 587779815 WKUOAGLFMBQELI-APBUJDDRSA-N 387.252 4.466 0 1 GIAF COc1ccc2[nH]c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2n1 587800608 BWMSMPYIHORRFL-YYSFKGJASA-N 390.256 4.097 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)[C@H]1CCC[C@H]2CC(C(=O)O)C1 587828630 UOSFVYLDHYXISX-CVRLPPSOSA-N 396.300 4.229 0 1 GIAF Cc1nc(N(C)C)sc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587855595 WVCKQMAKRINCHO-RTHLEPHNSA-N 384.318 4.043 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(OC)n1 587864607 MYEMTHNJECRJRF-UHFFFAOYSA-N 391.349 4.060 0 1 GIAF CCCCOc1ccc(OCCCC)n1-c1c[nH]cc(Br)c1=O 587941486 PIRAPILELDPHRI-UHFFFAOYSA-N 383.286 4.286 0 1 GIAF CC1(C)Cc2cc([C@H]3N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc2O1 962968586 CVIKLGYNJDPYND-KBXCAEBGSA-N 393.817 4.020 0 1 GIAF CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CCCC[C@H]3N)nc21 1772601134 JPJBCKSRGYPABG-HZPDHXFCSA-N 399.930 4.486 0 1 GIAF COC(=O)[C@@]1(C=C2c3ccc(F)cc3[C@H](OC)[C@@H]2C)[C@@H]2c3ccccc3O[C@H]21 1857622819 VVOONWVRIYRRAY-IPKZSVRVSA-N 380.415 4.264 0 1 GIAF CC1(C)CCC[C@]2(C)C3=C(COC3=O)C[C@H](OC(=O)C=Cc3ccc(O)cc3)[C@H]12 2356323914 FLLYIKBNXZGXFU-SNYIIPAISA-N 396.483 4.407 0 1 GIAF COc1ccc(NC(=O)[C@H]2Cc3c(-c4ccc(Cl)cc4)ccnc3O2)cc1 61926454 PMJCJJCTOYCRAG-LJQANCHMSA-N 380.831 4.353 0 3 GIAF CCN1CC[C@](O)(c2ccc(Cl)cc2)[C@@H](C(=O)c2ccc(Cl)cc2)C1 1633174 LFQIXZHWOHBULT-QUCCMNQESA-N 378.299 4.406 0 1 GIAF Cc1ccc([C@@H]2SC(=N)Nc3c2c(C)nn3C(=O)c2ccccc2O)cc1 6487843 QSQVZOUDJRPDFI-KRWDZBQOSA-N 378.457 4.077 0 1 GIAF Cc1ccccc1N1C(=O)[C@H](Cc2ccccc2)N=C1N1CCc2ccccc2C1 9643615 LDUZETSVUMJFJZ-QHCPKHFHSA-N 395.506 4.367 0 1 GIAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CN1CCN(Cc3ccccc3)CC1)O2 22934145 VGJFUTQJGZKKBU-RUZDIDTESA-N 394.559 4.219 0 1 GIAF CO[C@H](C)C(=O)N(c1ccccc1F)[C@H]1CCN(CCc2ccccc2)C[C@@H]1C 26735436 FRLCLTFQCIWDIX-JQVVWYNYSA-N 398.522 4.147 0 1 GIAF CCCCCN1CNC(=O)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2 28564209 KLZIJMXVBVGSNF-VXKWHMMOSA-N 383.580 4.127 0 1 GIAF COc1ccc(Cn2c3c(c4ccccc4c2=O)[C@@](C)(O)c2ccccc2-3)cc1 29129335 AOEMGULMSZSEKL-VWLOTQADSA-N 383.447 4.295 0 1 GIAF COC(=O)CCC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1C 29222328 ZOWQDWLHHFCEAF-UHFFFAOYSA-N 378.428 4.014 0 1 GIAF COP(=O)(OC)[C@H](OC(=O)COc1cc(C)ccc1Cl)c1ccco1 35259305 CYGRLPYMDOLEDL-INIZCTEOSA-N 388.740 4.348 0 1 GIAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)c(Cl)c2)N1 39374897 CWEDPVSIJOZZDP-IRXDYDNUSA-N 375.255 4.251 0 1 GIAF NC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2C1CCCCC1 49031414 GEIIVNQHQSHMFD-UHFFFAOYSA-N 383.883 4.301 0 1 GIAF COc1ccccc1CCNCc1coc(-c2ccccc2Br)n1 72185639 HEXMUFVBNJVKEV-UHFFFAOYSA-N 387.277 4.445 0 1 GIAF COC(=O)[C@@]1(Cc2cccc(C(F)(F)F)c2)CC(=O)O[C@@]1(C)c1ccccc1 73167291 PSEUHRVPNNBMDC-VQTJNVASSA-N 392.373 4.270 0 1 GIAF CCOC(=O)c1c(-c2ccccc2)nc2cc(-c3ccc(Cl)cc3)nn2c1N 79031610 FKLUZPGXOOVIBF-UHFFFAOYSA-N 392.846 4.476 0 1 GIAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12 88345905 UMBOVTDDENNROQ-HNNXBMFYSA-N 396.454 4.139 0 1 GIAF COc1ccc(CNC[C@H]2CCC[C@H](CNCc3ccc(OC)cc3)C2)cc1 95587886 JNZDNHDIVPTPOV-VXKWHMMOSA-N 382.548 4.390 0 1 GIAF C[C@@H](O)[C@@H](C)N1CCC(N(c2ccc(C(F)(F)F)cc2)c2cccnc2)CC1 103303279 MAUKISZQMSQDOJ-HZPDHXFCSA-N 393.453 4.472 0 1 GIAF c1ccc2nc(N3CC(c4nccnc4-c4ccc5scnc5c4)C3)ncc2c1 144192957 NPNIXPJIJNDUCL-UHFFFAOYSA-N 396.479 4.300 0 1 GIAF O=C(NCC1CCCC1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166808210 UYSZYMLQXNUCRO-UHFFFAOYSA-N 381.451 4.293 0 1 GIAF Cc1c(C(=O)OCc2ccccc2)cc(C(C)(C)C)n1CCCN1CCOCC1 205356179 PEVIUJNBMSMJQK-UHFFFAOYSA-N 398.547 4.173 0 1 GIAF Oc1cccc2c1OCC(c1nc3ncc(Br)c(Cl)c3[nH]1)=C2 586907136 DRDSXWCQMPMIEH-UHFFFAOYSA-N 378.613 4.012 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccc(C)nc3[nH]2)cc1 586950144 QPPCXTDXXMOWHF-UHFFFAOYSA-N 378.457 4.043 0 1 GIAF Brc1ccnc2[nH]c(-c3ccccc3OCc3cscn3)nc12 587029281 MVBAMVBHCYHZBW-UHFFFAOYSA-N 387.262 4.423 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)C(F)(F)C1 587131687 BEZCRJNMGXIPMF-ZETCQYMHSA-N 393.221 4.234 0 1 GIAF COc1ccc(C)cc1NCCCc1nc2cc(Br)ncc2[nH]1 587229616 ZQXGMTGSIXVQIS-UHFFFAOYSA-N 375.270 4.082 0 1 GIAF C=CC(=O)Nc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 587243350 CFLQHGIJASAHJW-UHFFFAOYSA-N 378.176 4.395 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(Cl)nn4)cc1)[C@@H](C2)C3=O 587421162 NZUSSJMINXTBFU-YCRPNKLZSA-N 378.815 4.294 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCOc4c(Cl)cc(Cl)cc41)[C@@H](C2)C3=O 587421861 NVAMZHHNDMFIHX-HXPMCKFVSA-N 377.223 4.427 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC(F)(F)F)c1)[C@@H](C2)C3=O 587422142 NSJBURVQPOBDMS-SGTLLEGYSA-N 380.318 4.091 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(Cn3ccnc3)c1)CC2=O 587468611 ABRMZPBUHZXYAD-JOCHJYFZSA-N 392.455 4.305 0 1 GIAF COc1c(F)cc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554283 CXGOADKRYMUCMX-DYESRHJHSA-N 384.334 4.382 0 1 GIAF COc1cc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587594179 MZOVKYPLSJQKDK-NFBKMPQASA-N 392.407 4.421 0 1 GIAF COc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1F 587655595 OAMPICRNEJLYJF-UHFFFAOYSA-N 382.341 4.479 0 1 GIAF COc1ccc(C(C)(C)[C@@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653766950 MWHMLNOXKUIYCI-FQEVSTJZSA-N 399.487 4.303 0 1 GIAF Cc1c([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)nc2ccccn12 962639714 LVVVITGJILVSHU-GJZUVCINSA-N 394.522 4.479 0 1 GIAF COC(=O)c1ccc([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962717891 RDIRZRPSQFZCFS-HTAPYJJXSA-N 385.504 4.239 0 1 GIAF C[C@@]1(c2ccccc2OCc2ccccc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962904081 NIHWDNGJGBGLOC-XUZZJYLKSA-N 391.442 4.267 0 1 GIAF Cc1cc2c(cc1C)C(Cl)=C(COC[C@H](O)CN1CCSCC1)CCC2 1772619243 JAZXKVNFABSGHM-LJQANCHMSA-N 395.996 4.016 0 1 GIAF COc1cc(-c2ccnc(Cl)c2Cl)cc2c1OCCN(C(=O)C1CC1)C2 1772639939 SMCLMBSLDMRXOM-UHFFFAOYSA-N 393.270 4.195 0 1 GIAF CC1CCN(C2CCN(S(=O)(=O)c3cccc(-c4ccccc4)c3)CC2)CC1 1857579550 ICBKWTDJVHLSAC-UHFFFAOYSA-N 398.572 4.239 0 1 GIAF CCCCOc1nc2ccc(OC)cc2cc1[C@H]1CNC(=O)c2ccccc2N1 1857631378 LUZUBDQIKGDLBD-OAQYLSRUSA-N 391.471 4.319 0 1 GIAF O=C(NCCCCCCCCn1nnc(-c2ccccc2)n1)Oc1ccccc1 1857755669 JQUWJTFVPSCGJY-UHFFFAOYSA-N 393.491 4.469 0 1 GIAF COc1ccc(CN2C(=O)[C@H](n3c(C)ccc3C)c3cc(OC)ccc32)cc1 206028766 VWPMCUQCVPFYFB-JOCHJYFZSA-N 376.456 4.258 0 3 GIAF CSc1nc(Cl)c(C(=O)NCc2ccccc2)c(NCc2ccccc2)n1 34838487 LSKRIICJSMZULU-UHFFFAOYSA-N 398.919 4.394 0 1 GIAF O=C1CCCN1CCc1ccc(C2=CC[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1 36289112 ZBSRSMRKEMXADB-ILBGXUMGSA-N 386.539 4.387 0 1 GIAF CCCCCCSc1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1 42919964 ZOZWRIQKVTZFOI-UHFFFAOYSA-N 382.957 4.017 0 1 GIAF COc1ccc(CCN2CN=C(SCc3ccc(Cl)cc3)NC2)cc1 58538457 QYUYGYXNXNVPCG-UHFFFAOYSA-N 375.925 4.001 0 1 GIAF CN1CCN([C@H]2Cc3ccccc3Sc3ccc(-c4ccnn4C)cc32)CC1 64528183 AJESKKMIWNWSBT-NRFANRHFSA-N 390.556 4.083 0 1 GIAF Cc1c(C(=O)NC(C)C)nn(-c2ccc(Cl)cc2Cl)c1-n1cccc1 66259893 WGANSTLQKROOFT-UHFFFAOYSA-N 377.275 4.416 0 1 GIAF CCOC(=O)c1c(-c2cccc(OC)c2)[nH]c2cc(C(F)(F)F)ccc2c1=O 95556272 MYAMHUWWTLHTSV-UHFFFAOYSA-N 391.345 4.399 0 1 GIAF CC(=O)c1ccc(OCc2cc(C(=O)N3C[C@H]4C[C@@H]5C[C@H](C4)C[C@H]3C5)no2)cc1 103342808 DOFNVVXTRBWLGJ-LRNSACPNSA-N 394.471 4.107 0 1 GIAF CCC/C=C1\OC(=O)C2=C1CC[C@@H]1[C@H]3C4=C(/C(=C/CCC)OC4=O)[C@H](C[C@H]3O)[C@H]21 238755763 XJWHYHJLIGBXTB-ZJROTCKTSA-N 396.483 4.098 0 1 GIAF CC1=CC[C@H]2[C@](C)(CC[C@@H]3C(C)(C)CCC[C@]32C)[C@H]1C(=O)OC[C@H](O)CO 238773737 MWAJABGHRMTDDP-FXSVLNLJSA-N 378.553 4.098 0 1 GIAF COC(=O)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1OC 586895137 QMNXSFIAGRMXPT-UHFFFAOYSA-N 388.423 4.184 0 1 GIAF Cc1ccc(-c2nnc(SCc3nc4c(C)cnc(Cl)c4[nH]3)n2C)cc1 586964791 FAQAMEZRNAKOPK-UHFFFAOYSA-N 384.896 4.316 0 1 GIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C)c(F)cc2[nH]1 586985332 UQFBOINTUNGGIE-KRWDZBQOSA-N 390.256 4.193 0 1 GIAF O[C@H](c1ccc(Br)cc1)c1nc2cccc(OC(F)(F)F)c2[nH]1 586996312 DUJMTZFHHHVIHN-CYBMUJFWSA-N 387.155 4.306 0 1 GIAF COc1cc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2cc1Cl 587014066 IDHLLLFQWODYOV-UHFFFAOYSA-N 394.884 4.373 0 1 GIAF COC(=O)c1cc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2cc1OC 587068359 SPWJBGMPWHXZME-UHFFFAOYSA-N 382.807 4.069 0 1 GIAF O=C(O)c1cccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587081946 ZIIBIXAQXVJNKZ-UHFFFAOYSA-N 389.802 4.291 0 1 GIAF O=C(Nc1cccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1)c1ccc(F)cc1 587164712 ZIAKRGUTISGJHE-UHFFFAOYSA-N 387.374 4.203 0 1 GIAF Cc1cc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2cc1Br 587172690 KESILKCEJSMSQG-SFHVURJKSA-N 389.224 4.401 0 1 GIAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)c(F)c(F)c2[nH]1 587194688 XRDZXAIPDNPHAU-JTQLQIEISA-N 388.846 4.012 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(NC(=O)C(C)(C)C)nc3)nc2c1 587247757 SEMZMEQVPBMLPM-UHFFFAOYSA-N 386.839 4.050 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CC[C@@H]3C[C@H]2CCC3=O)[C@@H]1c1ccc(F)cc1 587348539 DGCBDXYTRHNRML-HAXBPVGVSA-N 380.415 4.408 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(CCC3(CC1)CN(C(=O)OC(C)(C)C)C3)O2 587401111 SNOXDEMPTJBEAE-UHFFFAOYSA-N 386.492 4.092 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](C1CCN(c3cccc(C)n3)CC1)CC2=O 587473879 CODKFHGECJJGID-OAQYLSRUSA-N 380.488 4.299 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)c3nsnc13)CC2=O 587496694 SJYNQTZOGDVTJM-KRWDZBQOSA-N 383.473 4.122 0 1 GIAF O=C1C[C@](CCN2CCOCC2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587519322 YXKRYMXVOQQEDN-RUZDIDTESA-N 391.511 4.148 0 1 GIAF Cc1nn(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1Cl 587542898 AQOIOWAKJGTQDB-DYESRHJHSA-N 398.846 4.279 0 1 GIAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1O 587553410 ARZHPHUVHHLIAS-DENIHFKCSA-N 396.370 4.123 0 1 GIAF Cn1cc([C@H](c2ccccc2)c2cnc3nc(O)nc(O)c3c2)c2ccccc21 587557260 HNKVSEDCEZTYOY-HXUWFJFHSA-N 382.423 4.108 0 1 GIAF Cc1nc2c(s1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619748 UWGUPEYYTSXNDJ-DYESRHJHSA-N 379.437 4.351 0 1 GIAF COC[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794553 OWABBBSKZHCRBW-ORAYPTAESA-N 378.285 4.207 0 1 GIAF CCSc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587845107 MWVPLWBBOBKALR-PSLIRLAXSA-N 382.302 4.114 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-n3ccnc3)cs2)N1 587847200 JPUYAAKWRBSXDA-BMLIUANNSA-N 392.297 4.459 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3SCCS[C@@H]32)N1 587857762 UNODTYGHGMMXDS-VVKQEJOYSA-N 388.371 4.329 0 1 GIAF CCOc1ccccc1OCC(=O)n1nc(-c2cccc(F)c2)cc1OCC 587870644 OAJXTLMMLMAKRW-UHFFFAOYSA-N 384.407 4.206 0 1 GIAF O=C(O)CCc1cc(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O 587945746 PAGIINYCHLEBIQ-UHFFFAOYSA-N 397.402 4.326 0 1 GIAF Cc1cc2c(n1-c1nc(S)ncc1C(=O)Nc1cccc(F)c1)CCCC2 587946785 XUJUBDVSLKQHMR-UHFFFAOYSA-N 382.464 4.135 0 1 GIAF CC(C)COc1ccc(Cl)cc1[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962924732 UVAILUBDWOTQOI-QFBILLFUSA-N 377.843 4.202 0 1 GIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CC2OCCO2)(c2ccc(F)c(F)c2)N1 962963927 XHIPTHVHSCLDPC-WNSKOXEYSA-N 398.453 4.377 0 1 GIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2cc(Cl)c(F)cc2F)N1 962978516 RMVKZVOWCLQDKF-SWLSCSKDSA-N 394.151 4.238 0 1 GIAF COc1cccc2cc3c(nc12)[C@@H](c1sc(N2CCCCC2)nc1C)NCC3 963055885 KIBOVCFBLNEUKD-FQEVSTJZSA-N 394.544 4.234 0 1 GIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2ccccn2)(C2CC2)N1 963177612 DHDQMNMVAKSSIC-FZKQIMNGSA-N 396.796 4.006 0 1 GIAF CCO[C@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 1857656066 CTWZMWYDKBXMDV-FUHWJXTLSA-N 392.835 4.111 0 1 GIAF CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@](C)(O)[C@@H]2OCc1ccc2ccc(=O)oc2c1 2356779097 LSFPDSGTNWHMAC-JIYUALFRSA-N 398.499 4.235 0 1 GIAF C[C@@H]1CCC[C@H](NC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2cccs2)[C@@H]1C 4894181 GBUAIQSYTFUVOO-IPZZXCBHSA-N 382.529 4.386 0 3 GIAF O=C(NCCO)c1c(-c2ccc(F)cc2)noc1-c1cccc2ccccc12 2480281 DJRAIAPXKPGJNX-UHFFFAOYSA-N 376.387 4.023 0 1 GIAF Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(C(F)(F)F)cc1 28890055 WJZJOYFICBHWRB-UHFFFAOYSA-N 376.338 4.261 0 1 GIAF C[C@H]1NCCC[C@@H]1C(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1 40846453 LOUYPYUMEQLFIO-NEPJUHHUSA-N 394.566 4.048 0 1 GIAF O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)NCc1c[nH]c2ccccc12 40860177 CGUFOAAEEAJXJL-LJQANCHMSA-N 383.451 4.004 0 1 GIAF CC(=O)N1CCC(Nc2nc(-c3ccco3)c(C(=O)c3ccccc3)s2)CC1 40862461 IOGXGBJVAXMMAH-UHFFFAOYSA-N 395.484 4.057 0 1 GIAF Cc1cc(C(=O)NCc2ccc(-c3c(C)noc3C)cc2)n(-c2ccccc2)n1 45189694 JKANIULQODZIHL-UHFFFAOYSA-N 386.455 4.383 0 1 GIAF NC(CO)(CO)CCc1ccc(-c2ccc(Sc3ccccc3)cc2F)cc1 49087609 SCRMHSKSOPFVTP-UHFFFAOYSA-N 397.515 4.259 0 1 GIAF O=C(NCc1ccc(F)cc1)[C@@H]1CCCN1c1nc(-c2cccc(F)c2)cs1 82195397 IPTIOMRUJCQHJP-IBGZPJMESA-N 399.466 4.374 0 1 GIAF Cc1ccc(/C(=C2/C(=O)Nc3ccc(C(=O)O)cc32)c2nc3ccccc3[nH]2)cc1 84740708 RHEKRIVAMQDVLV-MRCUWXFGSA-N 395.418 4.481 0 1 GIAF COc1ccc2nc(/C(=C3\C(=O)Nc4ccc(N)cc43)c3ccccc3)[nH]c2c1 84741052 QWWZHEAIYHIEKN-MRCUWXFGSA-N 382.423 4.065 0 1 GIAF Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC[C@H](C)C[C@H]4C3=O)c2)c1C 101875963 ZOYAADJVAJUVGJ-PNHOKKKMSA-N 390.483 4.481 0 1 GIAF Cn1c(=O)ccc2c(NC(=O)N[C@H]3CC[C@@H](c4ccccc4F)C3)cccc21 169704941 NGJOCHXSRSVEDI-CABCVRRESA-N 379.435 4.135 0 1 GIAF CCCCCCn1nc(NC(=O)[C@@H]2CNC(=O)C2)cc1-c1cccc(CCC)c1 169706944 CQYBHBDDQRPFTM-IBGZPJMESA-N 396.535 4.158 0 1 GIAF CC(C)CCN1CCC[C@H]1C(=O)N1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C 201104261 IJQQQMJZOAKLSF-HOKHCIIBSA-N 398.591 4.344 0 1 GIAF Oc1cccc([C@H](O)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 586889887 HYVDKFHFVQDLBU-ZDUSSCGKSA-N 387.155 4.132 0 1 GIAF Cc1ccc2c3c(c(CC(=O)O)c(-c4ccccn4)nc13)-c1ccccc1C2=O 587097264 MSTXETIRNVJJNS-UHFFFAOYSA-N 380.403 4.444 0 1 GIAF COc1cc(-c2nc3cccc4c3c(c2CC(=O)O)-c2ccccc2C4=O)ccn1 587107516 TZFLMLDERAULHG-UHFFFAOYSA-N 396.402 4.144 0 1 GIAF Fc1ccc(-c2nc3c(Br)cnc(Br)c3[nH]2)cc1F 587143928 NOCKDEWJFNNIDV-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)([C@H]1CC[C@@H](C(=O)O)C1)O2 587383965 IEDYIGRGYNVFIA-QOAZOABKSA-N 383.419 4.078 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cc(Cl)ccc2OC(=O)[C@H]1C 587459469 DOUBDCBKLJJTQJ-FIKIJFGZSA-N 386.831 4.414 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)([C@H](C(=O)OCC)c1ccccc1)CC2=O 587483570 RBWPHMPRQKVAPS-REWPJTCUSA-N 382.456 4.416 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3c(s1)SCC(=O)N3)CC2=O 587495141 NPDIKMWQOOEBRM-LJQANCHMSA-N 389.498 4.331 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1ccncc1 587577131 MKNXQGYZBRQQJK-NZQKXSOJSA-N 384.391 4.281 0 1 GIAF CCCCCn1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587578507 APGSIFMBJLIMFP-DENIHFKCSA-N 378.428 4.482 0 1 GIAF COc1cccc2c1OCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611441 RLIFBSAGMFNTMB-AUSIDOKSSA-N 390.391 4.040 0 1 GIAF Cc1ccsc1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658829 VBBBEOCOYOWALA-UHFFFAOYSA-N 382.391 4.400 0 1 GIAF C[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2CCCC[C@H]2N1 587792315 IDNHAVRAXZBLHQ-OCNBCVBRSA-N 381.333 4.258 0 1 GIAF CC(=O)COc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587797833 XQCLWNWPUZRUOJ-NSPYISDASA-N 392.268 4.180 0 1 GIAF Cc1ccc(C)c(Cc2nc3c(I)cnc(Cl)c3[nH]2)c1 587958478 FJHBGSVGFRPPSZ-UHFFFAOYSA-N 397.647 4.424 0 1 GIAF Cc1cccnc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1 653738137 OZFPZIADDZVWTG-UHFFFAOYSA-N 377.831 4.456 0 1 GIAF COc1cccc2cc3c(nc12)[C@@]1(CCCCN(C(=O)OC(C)(C)C)C1)NCC3 963064913 HNMKKDOULSDETL-QHCPKHFHSA-N 397.519 4.005 0 1 GIAF CCOc1ccccc1Nc1nc2nonc2nc1Nc1ccccc1OCC 1857552307 CGIPLAKXOLIALA-UHFFFAOYSA-N 392.419 4.297 0 1 GIAF Clc1ccc(-c2ccc(CNCC3CCNCC3)o2)c(Br)c1 1857768820 MXQAFIKIXYPMBF-UHFFFAOYSA-N 383.717 4.452 0 1 GIAF CC1=C[C@H](CN2CCCCC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356459982 GOUXOAWWLQDCFZ-XUVXKRRUSA-N 397.567 4.353 0 1 GIAF COc1c2ccoc2c(OCC=C(C)C[C@@H]2C=C(C)C(=O)O2)c2oc(=O)ccc12 2356495035 BSOQPQBWWASEBU-CQSZACIVSA-N 396.395 4.135 0 1 GIAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 2356660672 PWOLVDNLKDSJTA-YTFSRNRJSA-N 396.575 4.416 0 1 GIAF C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1-c1ccccc1)C(=O)O 5014995 DHANXAPUOXTVQI-LBPRGKRZSA-N 389.864 4.065 0 3 GIAF COc1cccc(NC(=O)CCC2CCN(C(=O)c3sccc3C)CC2)c1 14971127 KXKUGIUFBGMMGQ-UHFFFAOYSA-N 386.517 4.336 0 3 GIAF C[C@]12CC[C@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@@H]1C[C@@H](O)[C@@H]2O 3977836 GDUPBUZZJUIEDX-YDUAIELLSA-N 378.512 4.453 0 1 GIAF in-vitro COc1c2c(c(OC)c3occc13)O[C@@H](c1ccc3c(c1)OCO3)C[C@@H]2OC 13376245 OWINHPGFEPOUFB-ZBFHGGJFSA-N 384.384 4.390 0 1 GIAF biogenic c1ccc2c(c1)CCCC[C@H]2CCN1CCN(c2cccc3c2OCCO3)CC1 13743674 GMDUZTVEAQHOPH-NRFANRHFSA-N 392.543 4.480 0 1 GIAF Cc1ccc2c(c1)N(CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)C(=O)c1cccnc1O2 15879073 BJSBMECVEKPDDO-NUJGCVRESA-N 393.487 4.083 0 1 GIAF CSc1ccccc1OC[C@H](O)CNC(C)(C)Cc1c[nH]c2ccccc12 26736098 HIXJMGDWOJBHFM-QGZVFWFLSA-N 384.545 4.240 0 1 GIAF O=C(Nc1cc(F)cc(F)c1)c1ccnc(C(=O)Nc2cc(F)cc(F)c2)c1 28708432 LAZYGAOGLSYLNT-UHFFFAOYSA-N 389.308 4.143 0 1 GIAF CC(=O)Nc1ccc(SCCCN2CCN(c3cccc(C)c3)CC2)cc1 28886884 ZYBJGAPXRADJEH-UHFFFAOYSA-N 383.561 4.258 0 1 GIAF Cc1nc([C@@H]2CCCNC2)cc(N(C)Cc2csc(-c3cccs3)n2)n1 39364395 ZDWPSKXAGMTYNU-CQSZACIVSA-N 385.562 4.073 0 1 GIAF O=C(N[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C1)c1ccc(F)cc1F 45227223 RUFBNOWGXZBOFM-AWEZNQCLSA-N 387.817 4.175 0 1 GIAF Cc1c(CN2CCCc3ccccc32)nc(SCc2ccccc2)[nH]c1=O 72176395 KOKHPBIURQTVJI-UHFFFAOYSA-N 377.513 4.323 0 1 GIAF O=C(NCCC1=CCCCC1)[C@H]1CCCN1C(=O)c1coc(-c2cccs2)n1 82085174 RAPFPIHAYWQHKR-QGZVFWFLSA-N 399.516 4.014 0 1 GIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3cccc(O)c3)C[C@@H]1O2 95555980 SKNYVUKHSJMIAE-FNXXIHLHSA-N 381.472 4.024 0 1 GIAF C[C@H]([C@@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1)N(C)C 95563064 PJNAJZSNGGHTRM-KUHUBIRLSA-N 378.505 4.171 0 1 GIAF COC(=O)c1cccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)c1 166597627 HKDOZSCHQIPERZ-UHFFFAOYSA-N 389.386 4.408 0 1 GIAF COc1ccccc1NC(=O)c1c(N)cccc1Oc1ccc([N+](=O)[O-])cc1 205712974 JQEYRIPVHYKIER-UHFFFAOYSA-N 379.372 4.230 0 1 GIAF COc1cc(-c2nc3cc(C)cnc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144467 ZKYJOJFXBZGXNK-UHFFFAOYSA-N 377.375 4.446 0 1 GIAF Nc1ccc(-c2ccc3nc(-c4cnc5c(F)cccc5c4N)[nH]c3c2)cc1N 587176802 SAYWVSPUKLBIJA-UHFFFAOYSA-N 384.418 4.331 0 1 GIAF Fc1cc2[nH]c(-c3cc(Br)cnc3F)nc2cc1Br 587177862 CXSSLHPOWMNNKF-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF Cc1cc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2cc1C 587183983 MWMWVTXXJMPLEA-AWEZNQCLSA-N 391.256 4.027 0 1 GIAF CN1[C@H]2CCC[C@@H]1C[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332483 AKTCPWCQYHHEAG-QBTZDCLLSA-N 381.447 4.276 0 1 GIAF CC1(C)Cc2n[nH]cc2[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351186 ZANQCXJMIGESRF-NFBKMPQASA-N 392.430 4.481 0 1 GIAF Oc1nc(O)c2ccc(-c3ccccc3OCc3ccc(Cl)cc3)nc2n1 587369310 ZTJGPDJFNXYHTQ-UHFFFAOYSA-N 379.803 4.335 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCC(=O)O)(c1ccc(F)c(Cl)c1)O2 587381576 JHQZVSODTDFODM-LJQANCHMSA-N 377.799 4.095 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cn([C@H](C)C(=O)O)c3ccccc13)O2 587388850 BMHYGPJDNZGHPE-DMZKTXOQSA-N 378.428 4.058 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cccn1Cc1ccc(F)c(F)c1)[C@@H](C2)C3=O 587426774 PRKAQFMUUQLVBJ-NYHFZMIOSA-N 381.378 4.312 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccccc4)n4ccccc14)[C@@H](C2)C3=O 587436057 MVIKIWRJCLQIKK-GAJHUEQPSA-N 382.419 4.499 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)([C@H](C)CN(C)C)CC2=O 587467066 BZRSAOVCFZNGMY-VOIUYBSRSA-N 397.515 4.412 0 1 GIAF Cn1c(Cl)nc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554340 XATRTYAGMQAENA-WBMJQRKESA-N 391.210 4.135 0 1 GIAF CCOC(=O)C(CC)(CC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587596825 PITIYHGDKLRRLU-GCJKJVERSA-N 398.455 4.482 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(C(=O)c2ccc(F)cc2)N1 587730771 KQTUOSJKNWFYSS-MLCYQJTMSA-N 380.232 4.360 0 1 GIAF CCOc1ccc(C(=O)[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587800013 DMAHDFRTSFTDDD-ZMZPIMSZSA-N 392.268 4.445 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(C(=O)O)N1 587825433 DFJLPCQPFQUPOD-HXPMCKFVSA-N 392.268 4.035 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3oc(CO)cc3c2)N1 587833857 PKSBZQLYFCZFFY-GIGQVBGESA-N 390.252 4.450 0 1 GIAF O=S(=O)(c1ccc(-n2nc3cc2Oc2ccc(F)cc2-3)cc1)C(F)(F)F 587873635 FOLRBWLFETWHKW-UHFFFAOYSA-N 384.310 4.078 0 1 GIAF CCOC(=O)[C@]1(c2cccc(C)c2C)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962637476 XDJPDIIHOQQGTM-GYCJOSAFSA-N 397.515 4.004 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2-n2cncn2)N1 962958190 PDJFIFIPGXBTET-JLTOFOAXSA-N 377.879 4.416 0 1 GIAF CC(C)(C)[C@]1(CCCCCC(=O)O)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963219257 DJZFTFDLKQZJBO-WMZHIEFXSA-N 398.503 4.110 0 1 GIAF COc1ccc(C(=O)CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1 1857752783 VORUGNPWIUKFKO-UHFFFAOYSA-N 392.421 4.109 0 1 GIAF CC(=O)O[C@@H]1C[C@H](C)[C@](O)(CCC2=COC(=O)C2)[C@@]2(C)CCCC(C)(C)[C@H]12 2356431019 ZBICKXGNEGEFRD-HQKUXIIFSA-N 378.509 4.133 0 1 GIAF COc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1C(F)(F)F 602349 YWVBCPTVUCYQQU-UHFFFAOYSA-N 393.409 4.084 0 1 GIAF CC1(C)C[C@@H](NC[C@@H]2CCCO2)c2cc(C(=O)NC3CCCCC3)ccc2O1 5070354 AJCARHNEZVGCGX-AZUAARDMSA-N 386.536 4.120 0 1 GIAF CCc1c(C)nc(OC)c(NC(C)=O)c1[C@@](C)(OC(C)=O)c1cc(C)cc(C)c1 5847262 YTPLGXFXVHNNIL-QHCPKHFHSA-N 398.503 4.363 0 1 GIAF COc1cc2oc(-c3ccc4c(c3)OCO4)cc(=O)c2c2c1C=CC(C)(C)O2 14883692 NKHPGJPLHMMRIF-UHFFFAOYSA-N 378.380 4.382 0 1 GIAF biogenic,in-vitro c1ccc(CN2CCN(c3ccc([C@@H]4CC(c5ccccn5)=NO4)cc3)CC2)cc1 28961976 PSSBMOXBIUCMIG-VWLOTQADSA-N 398.510 4.270 0 1 GIAF CS(=O)(=O)c1ccc(-c2nc(NCC3CCCC3)cc(C(F)(F)F)n2)cc1 29131970 WTCWSNZPMYJGPD-UHFFFAOYSA-N 399.438 4.168 0 1 GIAF NC1=N[C@@](c2ccccc2)(c2cccc(Cc3ccc(F)cc3)c2)C2=NCCCN12 35794560 HNKINZGWDMPNGM-VWLOTQADSA-N 398.485 4.093 0 1 GIAF CC(=O)N1CC[C@](C)(c2ccccc2)[C@H]2C=C(NC(=O)OC3CCCC3)C=C[C@@H]21 59085038 BYYWYRYHYCVCLI-WPFOTENUSA-N 394.515 4.304 0 1 GIAF C[C@@H](NC(=O)c1cccc2[nH]c(-c3ccco3)nc12)[C@H](O)c1ccc(Cl)cc1 71315817 KTYSRPDSGHGOIL-BLVKFPJESA-N 395.846 4.328 0 1 GIAF COc1cc(C(=O)c2c(-c3ccncc3)[nH]c3ccccc23)cc(OC)c1OC 95597653 YLHMCFNVKQBNOF-UHFFFAOYSA-N 388.423 4.487 0 1 GIAF CC[C@H](CO)Oc1cc(NC(=O)c2ccccc2OC)c2ncn(C(C)C)c2c1 95771732 LZTNCWJJOJDUBZ-OAHLLOKOSA-N 397.475 4.028 0 1 GIAF C[C@]1(c2cccc(/C=C/C(=O)Nc3ccc(Cl)cn3)c2)CCSC(N)=N1 96174311 HEBGLNQNACCBPV-MTCRFPMVSA-N 386.908 4.054 0 1 GIAF Cc1nn(-c2ccc(OCc3ccc(Cl)cc3)cc2F)c(=O)n1C(F)F 103182961 YTKOKJGNUOQGQK-UHFFFAOYSA-N 383.757 4.109 0 1 GIAF COC(=O)N(OC)c1ccccc1COc1c(C)c(-c2ccccc2)nn1C 115759689 DWTVBEZBWMDXIY-UHFFFAOYSA-N 381.432 4.109 0 1 GIAF in-vitro C[C@@H]([C@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1)N(C)C 137058891 PJNAJZSNGGHTRM-IFXJQAMLSA-N 378.505 4.171 0 1 GIAF O=C(Cc1c(C(F)(F)F)ccc(Cl)c1Cl)N[C@@H]1COc2ncccc21 144960031 HFOCHEDOFFQSKO-GFCCVEGCSA-N 391.176 4.200 0 1 GIAF CN(Cc1nccc2c3ccccc3n(CCCN)c12)[C@H]1CCCc2cccnc21 200683412 JHTFMCRYSBBHJA-QHCPKHFHSA-N 399.542 4.443 0 1 GIAF Fc1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1Br 587039051 BRTHVPQFNRLMGT-KGLIPLIRSA-N 392.297 4.411 0 1 GIAF Fc1cc2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2cc1Br 587043287 YPNGBVVODPXBQU-JKSUJKDBSA-N 392.297 4.411 0 1 GIAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc3c(cc2[nH]1)OCCCO3 587120998 MXVLTKBMPZSQRE-UHFFFAOYSA-N 392.259 4.152 0 1 GIAF Cc1cc(-c2nc3c(F)c(F)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125180 OJXIWBWJWOHGPT-UHFFFAOYSA-N 391.321 4.078 0 1 GIAF COc1ccc(-c2nc3cc(F)c(F)cc3[nH]2)c(I)c1 587180675 WNUGDOHIKXATJF-UHFFFAOYSA-N 386.139 4.121 0 1 GIAF Clc1cncc2nc(/C=C/c3cccc(I)c3)[nH]c12 587184178 PJRREABHYJBUJC-SNAWJCMRSA-N 381.604 4.386 0 1 GIAF Cc1ccc2c(ccc3nc(CN(C[C@@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c32)n1 587198160 ZTOFKMCHPNULKY-HNNXBMFYSA-N 396.491 4.336 0 1 GIAF O=C1c2ccc(O)cc2O[C@@](CO)(Cc2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587334904 MZHBIQPSMSUMCP-FYYLOGMGSA-N 396.389 4.003 0 1 GIAF COc1c(Br)ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1F 587383219 ZJPACSRLNUPCAG-AWEZNQCLSA-N 380.213 4.194 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCc4cc(Br)ccc4C1)[C@@H](C2)C3=O 587417139 IZJFSZXTZCHAFW-JXFKEZNVSA-N 385.257 4.133 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(OC)c1C(F)(F)F)[C@@H](C2)C3=O 587422401 UDEKSMJIUFQSKT-SGTLLEGYSA-N 394.345 4.220 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCCc4ncc(C(F)(F)F)cc41)[C@@H](C2)C3=O 587423276 TVPFRINYJXXGMF-IFXJQAMLSA-N 375.346 4.088 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(F)c1)(c1cnn(C)c1)CC2=O 587469168 XJJLVFFNOCUIGD-QFIPXVFZSA-N 380.419 4.126 0 1 GIAF CC(C)NC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587739366 AVGOFQUGMCZWBB-XOBRGWDASA-N 391.328 4.364 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2oc3cccnc3c2N)N1 587748685 XSTOVXTUNVMRAN-YYSFKGJASA-N 390.256 4.109 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccco3)n(C)n2)N1 587762862 GNIIXULUZHSFLD-XTZNXHDOSA-N 390.256 4.205 0 1 GIAF COCCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587793999 NSOBLJCXYVDGMK-BUXKBTBVSA-N 394.284 4.237 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/C(=O)O)(c2ccccc2)N1 587826492 HNYMWLCUGOFQOQ-BPEDBKPISA-N 390.252 4.007 0 1 GIAF COc1ccc(-c2cc(O)n([C@H](COc3cc(F)cc(F)c3)N=O)c2O)cc1 587945329 MYDYXRBESOVFRZ-QGZVFWFLSA-N 390.342 4.197 0 1 GIAF Nc1nc2cc([C@@H]3c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)ccc2o1 962642971 OVFARIOHJUFAFV-HYBUGGRVSA-N 396.494 4.246 0 1 GIAF Cc1ccc([C@]2(C3CC3)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)cc1 962667575 NMAJNRSBEDNMKQ-DQEYMECFSA-N 386.495 4.295 0 1 GIAF Cn1ncc2cccc([C@@]3(C)c4cccc(F)c4CCN3[C@H]3CCSC3)c21 962711040 PHWQPUUMKLURAB-KSFYIVLOSA-N 381.520 4.340 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CCCc2c1cnn2-c1ccccc1 963612567 SILUTFNICAFEGF-UPCLLVRISA-N 389.499 4.004 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)CCc1ccc(OC(C)=O)cc1 963636477 RDLRQBSIENVFAQ-WNSKOXEYSA-N 383.488 4.011 0 1 GIAF COc1ccc2c(c1)Sc1c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c1N2 1857632568 QPXWEQGLBOHNOB-UHFFFAOYSA-N 398.415 4.391 0 1 GIAF CN(Cc1ccccc1)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(Cl)cc1Cl 1911576901 AGCSGKNRPIGMDV-SFHVURJKSA-N 391.298 4.143 0 1 GIAF COc1ccc2nc(-c3cccc(-c4cc(OC)c(OC)c(OC)c4)n3)[nH]c2c1 1911581004 ZGLINVDAWLEJHN-UHFFFAOYSA-N 391.427 4.326 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)[C@@H](OC(C)=O)C[C@H]32)C1 2356418814 YALOOLVBDYZGLY-LEPQUCQDSA-N 390.520 4.072 0 1 GIAF CC(C)C1=CC[C@]2(C)[C@H](O)C[C@H](O)[C@@](C)(OC(=O)C=Cc3ccccc3)[C@@H]2C1 2356471171 QFWLJZPRVYMZJX-LBQHQWNISA-N 384.516 4.126 0 1 GIAF COCC=Cc1ccc2c(c1)[C@H](COC(C)=O)[C@H](c1ccc(OC)c(OC)c1)O2 2356708238 HKPBKTJFDWPYQN-CVDCTZTESA-N 398.455 4.144 0 1 GIAF CC1(C)OC[C@H]([C@]2(C)CC[C@]3(C)[C@@H](C2)C(=O)C[C@@H]2[C@@]4(C)CCC[C@@]23OC4=O)O1 2356723160 ZPFFGPITQXYMAE-DWXXAQPFSA-N 390.520 4.025 0 1 GIAF O[C@](c1ccccc1)(c1nc(-c2ccc3c(c2)OCO3)cs1)C(F)(F)F 61905608 MOOWXUFMZSHWQQ-QGZVFWFLSA-N 379.359 4.337 0 3 GIAF COc1ccc(-n2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3c2=O)cc1 2937582 KRKCPWHLVNYGOT-CALCHBBNSA-N 390.483 4.117 0 1 GIAF CCOC(=O)c1c2ccc(/C=C/c3ccccn3)ccc-2c(C(=O)OCC)c1N 17214906 CSDWCMACKYCMES-DHZHZOJOSA-N 390.439 4.292 0 1 GIAF COc1cccc([C@@H]2Sc3ccccc3N2C(C)=O)c1OCCCN(C)C 28015194 BFCSLYSEETZFDH-NRFANRHFSA-N 386.517 4.183 0 1 GIAF COc1cc([C@@H]2c3c(cc(OC)c(OC)c3O)C[C@@H](C)[C@H]2C)cc2c1OCO2 28972253 HAPHUWWEOOCTDA-SEDUGSJDSA-N 386.444 4.107 0 1 GIAF biogenic CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 34292840 WABOVJSDHQNWID-GOSISDBHSA-N 391.302 4.491 0 1 GIAF Cc1c(OS(=O)(=O)c2ccc3ccccc3c2)cccc1C1CCNCC1 40428712 AAWQGWQWNPBUQQ-UHFFFAOYSA-N 381.497 4.383 0 1 GIAF O=C(O)c1cn(Cc2ccccc2C(F)(F)F)c2c(F)ccc(F)c2c1=O 45350346 VIWBWYWQLVQBCU-UHFFFAOYSA-N 383.272 4.045 0 1 GIAF O=C(NC1CCCC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 72181644 DRZYGIHXBPLWLU-UHFFFAOYSA-N 391.475 4.116 0 1 GIAF CCCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccccc1F 82150778 LJIGEKUPXMULKI-IYBDPMFKSA-N 384.499 4.295 0 1 GIAF COc1ccc2[nH]c(-c3nc4ccc(C(=O)O)cc4nc3N(C)C(C)C)cc2c1 116232791 FERDABDGEUBFHB-UHFFFAOYSA-N 390.443 4.330 0 1 GIAF O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]2c3cc(Br)ccc3C[C@@H]21 117626644 YAVZBBIRVYJSEO-BEFAXECRSA-N 396.288 4.270 0 1 GIAF CO[C@H](C)C(=O)N(c1ccccc1)[C@@H]1CCN(CCc2ccccc2)C[C@H]1C 253825420 ZKHJYMVGYOEDCF-TXTKFYIRSA-N 380.532 4.008 0 1 GIAF COc1ccc(N)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1OC 586986297 AGANBIBJWWKFER-UHFFFAOYSA-N 398.418 4.418 0 1 GIAF c1cc(N=c2[nH]c(-c3nc4cc5cn[nH]c5cc4[nH]3)cs2)c2cccnc2c1 587018096 UEYQAACVPBIFFB-UHFFFAOYSA-N 383.440 4.276 0 1 GIAF CN1CCN(c2ccc3nc(-c4ncsc4-c4ccccc4)[nH]c3c2)CC1 587027701 GQLOMYHYDXKYJM-UHFFFAOYSA-N 375.501 4.105 0 1 GIAF Cc1cncc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 587092568 WJRNSUDXUONBEW-UHFFFAOYSA-N 376.260 4.288 0 1 GIAF N[C@]1(c2nc3cc(Br)c(F)c(F)c3[nH]2)C[C@@H]1c1ccccc1F 587154375 DUWGFHPDGUILQH-VPTHRUTESA-N 382.183 4.084 0 1 GIAF CCOc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)cc1OCC 587215068 ZYMNXAAMOGHGSA-UHFFFAOYSA-N 377.440 4.425 0 1 GIAF O=C(/C=C/c1nc2c(Cl)c(Br)cnc2[nH]1)Nc1ccccc1 587243914 JZIWAPNPOWAVDY-VOTSOKGWSA-N 377.629 4.026 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3cc(C)ccn3c1Br)O2 587371167 DQENMGUUFALRHI-CQSZACIVSA-N 386.249 4.002 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(Br)cc1F)O2 587383105 XNEBAERBIILYLP-SFHVURJKSA-N 378.241 4.445 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(F)c(Br)cc1C)[C@@H](C2)C3=O 587424826 VUDAERTZBCWFJC-SGTLLEGYSA-N 377.209 4.394 0 1 GIAF COc1cc2c3c(c1)O[C@](C=C(SC)SC)(c1ccccn1)[C@@H](C2)C3=O 587450528 HFYFQIRTDBJVKI-XOBRGWDASA-N 385.510 4.301 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(Br)n1)CC2=O 587458509 KFCQGDMESIKHSG-GOSISDBHSA-N 376.250 4.383 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)(c1ccn(C)n1)CC2=O 587465494 DRHHQJQPKGQEJQ-JOCHJYFZSA-N 380.419 4.126 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1N1CCN(CC)CC1)CC2=O 587474613 ITYQZFXVOWSYTC-QHCPKHFHSA-N 394.515 4.193 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)O)(c1ccc(OC)cc1)CC2=O 587485128 ZMSZMJPTSAGFMH-QFIPXVFZSA-N 384.428 4.079 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncc2c(Cl)n[nH]c12 587550720 BQNOBVCOHWGXKP-BEFAXECRSA-N 393.786 4.020 0 1 GIAF COc1cc(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccn1 587775324 ZEMJQCBGENMKDW-XHDPSFHLSA-N 379.273 4.200 0 1 GIAF CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1CO 587801324 JXIZDOSCNRYVAV-WYRIXSBYSA-N 394.284 4.103 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@@H](C3(C)C)[C@@]2(C)O)N1 587820343 BFTCQPQQBTXCEJ-DDKJLIMKSA-N 382.317 4.135 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H](C(=O)O)C2(C)C)N1 587832557 ZEKKCUNXGPXVEH-ZLXWJRTRSA-N 384.289 4.085 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3cc(O)ccc32)N1 587835155 VMTHDKVAKJMBPH-WLRWDXFRSA-N 376.269 4.408 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccnc(Cl)c1 587861221 OJXNSSGALLLTEH-UHFFFAOYSA-N 381.741 4.314 0 1 GIAF COc1cc(Cc2c[nH]c3ccc(Br)cc23)c(N)c(OC)c1OC 653918549 VCFCYUOZDJYDMQ-UHFFFAOYSA-N 391.265 4.129 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@@]3(CCC(=O)O)c1cccc(Cl)c1 963044047 BWVDEZARCNYBRJ-QFIPXVFZSA-N 396.874 4.151 0 1 GIAF COc1ccccc1[C@]1(C(F)(F)F)NCCc2cc3cccc(OC)c3nc21 963055673 JLVNVUZRIUZSBC-FQEVSTJZSA-N 388.389 4.204 0 1 GIAF Fc1cccc2c1[C@H](c1cc(-c3ccc4c(c3)OCO4)no1)N1CCC[C@H]1C2 963101790 LXTTYIGFEOXIMJ-NYHFZMIOSA-N 378.403 4.319 0 1 GIAF Fc1cccc2c1[C@@](CSc1nc[nH]n1)(c1ccccc1)N1CCC[C@H]1C2 963119780 ZIUDYDPQROVUFA-LAUBAEHRSA-N 380.492 4.000 0 1 GIAF CC1(C)CN[C@@](C)(c2ccc(F)cc2N2CCCC2)c2cc3c(cc21)OCO3 963389479 AQSOZZIXRASAFP-QHCPKHFHSA-N 382.479 4.299 0 1 GIAF Nc1ncc(-c2cn(Cc3ccc(F)cc3)c3c(F)cc(F)cc3c2=O)s1 1772570381 RSRKQKVNDJVABT-UHFFFAOYSA-N 387.386 4.173 0 1 GIAF Nc1cc(F)ccc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 1857635703 UVUXWUYEHXADCJ-MOPGFXCFSA-N 389.430 4.402 0 1 GIAF O=C1NC(=O)[C@@H](Cc2ccc(OCCOc3cccc4ccccc34)cc2)S1 1857752584 OCBQVPREWFRAOB-HXUWFJFHSA-N 393.464 4.192 0 1 GIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@H](OC(C)=O)CC[C@@H](C)[C@@]12C 2356378986 DFIGTEZNNCEPNY-ZRAOFWMTSA-N 388.460 4.319 0 1 GIAF COC(=O)CC(C)(C)C(=O)[C@@H]1CC[C@@H]2C1=CC[C@@H]1c3ccc(N)cc3CC[C@H]21 2356482523 OGTSVFPURVFERY-XODKDNOYSA-N 381.516 4.430 0 1 GIAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N1CCOCC1 4310694 FRBYRNFNDRXJLT-RTBURBONSA-N 396.890 4.352 0 1 GIAF Ic1ccc(O[C@@H](c2ccccc2)C2CCNCC2)cc1 13530875 SYSNRBOWLLUVAY-SFHVURJKSA-N 393.268 4.411 0 1 GIAF NC(=O)c1ccc2[nH]cc(CCCCN3CCC(c4ccccc4)CC3)c2c1 13582371 RBDWWKPSSYIBCB-UHFFFAOYSA-N 375.516 4.469 0 1 GIAF CCCCC[C@@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC(C)C 26501676 GLFTZWNXZKJDCN-RVICAODTSA-N 398.584 4.134 0 1 GIAF N=c1sc2c(n1CC(=O)c1ccc(OC(=O)c3ccccc3)cc1)CCCC2 28528116 NAXZTGQTRZBZEN-UHFFFAOYSA-N 392.480 4.010 0 1 GIAF CCN(CC)C[C@@H](O)COc1cc(OC)ccc1-c1cc(-c2ccccc2)no1 71295596 MVLHECKIGUCGIK-GOSISDBHSA-N 396.487 4.099 0 1 GIAF O=C1c2cc(N3CCOCC3)ccc2N[C@H](Cc2ccccc2)N1c1ccccc1 72113534 SFSSRJPKWHRSFA-DEOSSOPVSA-N 399.494 4.164 0 1 GIAF COCCCNc1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2cccc(C)c2)n1 82146165 DZCLIXGCTZCQAL-QZTJIDSGSA-N 396.535 4.019 0 1 GIAF CCN1CCC(c2ccc(F)cc2)=C(C(=O)OCCc2ccc3c(c2)CCO3)C1 95595612 ZQVGRZYKVFLJPD-UHFFFAOYSA-N 395.474 4.026 0 1 GIAF ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4C[C@H]([C@@H]3[C@@]1(Cl)C2(Cl)Cl)[C@H]1O[C@@H]41 100307748 DFBKLUNHFCTMDC-YITDPULNSA-N 380.913 4.481 0 1 GIAF in-vitro Cc1nn(C2CCCCC2)c2sc(C(=O)NC3CCC(CO)CC3)cc12 114712904 HMRJCLIZSHNVFO-UHFFFAOYSA-N 375.538 4.192 0 1 GIAF C[C@H](C(=O)Nc1ccc([C@H]2CCNC2)cc1)c1cccc(OC(F)(F)F)c1 117730625 WVSFHQCMHLKFOQ-BBRMVZONSA-N 378.394 4.404 0 1 GIAF CCCCC(C)(C)[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 195380094 MZFSUBMVKUYQSC-QEPRGZIXSA-N 392.536 4.102 0 1 GIAF O=C(O)C[C@H](NC(=O)c1cncc(-c2ccccc2)c1)c1ccccc1Cl 223531586 WMTKYOLFXKOTOH-IBGZPJMESA-N 380.831 4.348 0 1 GIAF COc1ncc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)cc1-c1ccccc1 261099929 GCLRBYMHZGYNBJ-FQEVSTJZSA-N 390.439 4.011 0 1 GIAF CC(C)(SCc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)C(=O)O 586958085 CZXBZRWHLVEQGS-UHFFFAOYSA-N 397.216 4.441 0 1 GIAF O=C(O)c1cccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586977971 UHXYUJKVFCVQIG-UHFFFAOYSA-N 381.613 4.256 0 1 GIAF CCOC(=O)[C@H](C)c1nc2ccc(O)c3c2c(c1CC)-c1ccccc1C3=O 586989681 OUCRLVXTOHJLLL-GFCCVEGCSA-N 375.424 4.381 0 1 GIAF Clc1cnc2nc(-c3cccn4c(Br)cnc34)[nH]c2c1Cl 587006577 ICNAMTPSXANPBE-UHFFFAOYSA-N 383.036 4.342 0 1 GIAF N[C@H](c1ccsc1)c1nc2c(Br)ccc(Br)c2[nH]1 587025928 SXTZEEZJSRKENB-SECBINFHSA-N 387.100 4.198 0 1 GIAF Cc1cc(Br)cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c12 587052473 BUGKFLSRVGQDTO-GFCCVEGCSA-N 380.673 4.235 0 1 GIAF FC(F)(F)c1cc(-c2nc3ccnc(Cl)c3[nH]2)c(Br)cn1 587115463 VMHTVSGIBVTPQK-UHFFFAOYSA-N 377.551 4.455 0 1 GIAF Cc1cc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2cc1Br 587130179 GHOYWOQVCIAYJU-UHFFFAOYSA-N 387.224 4.252 0 1 GIAF CC(=O)N[C@@H](Cc1nc2cc(C)c(Br)cc2[nH]1)c1ccc(C)cc1 587207102 QVALNJRAEZSZOZ-INIZCTEOSA-N 386.293 4.362 0 1 GIAF COc1cccc(OCCn2cccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587390919 OTCMSNAPIZAPLU-QFIPXVFZSA-N 392.455 4.173 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1ccccc1N)[C@@H](C2)C3=O 587427513 IINZUAQMSBGFDA-MBSDFSHPSA-N 375.399 4.108 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1OCC(=O)OCC)CC2=O 587486261 ZBGCMFWZZODNNK-QHCPKHFHSA-N 398.455 4.167 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1N1CCSCC1)CC2=O 587497013 BJNMBWOCBWGWOJ-PZJWPPBQSA-N 375.534 4.040 0 1 GIAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1O 587553412 ARZHPHUVHHLIAS-KNQAVFIVSA-N 396.370 4.123 0 1 GIAF COc1cc(C)c(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587596056 UJHIMSPTTYWCGB-AUSIDOKSSA-N 392.407 4.426 0 1 GIAF CCOc1cc(O)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587599239 WPUUUFXFUXXYSB-UGKGYDQZSA-N 378.380 4.199 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc[nH]2)(C(F)(F)F)N1 587711151 WBUKBILGPHTRMX-RTHLEPHNSA-N 377.179 4.256 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/N(C)C)(c2ccco2)N1 587741641 OFCWBIRVFVOCIW-GPGKAPGNSA-N 379.273 4.034 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(-c3ccccc3)n2)N1 587763806 MRXMOXYKCGOXHX-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Nc2ccccc2C(=O)[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587791661 GWWMQCHNGBADQA-RMDKCXRXSA-N 389.268 4.015 0 1 GIAF CCOc1cc(O)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587801638 MVSSGPDKUQPDLA-YPMLDQLKSA-N 380.257 4.316 0 1 GIAF Cc1cc2c(cc1F)[C@@](CCCCC(=O)O)(c1ccc(F)c(F)c1)NCC2 962141414 CITRMDWQWOIZQI-OAQYLSRUSA-N 377.406 4.447 0 1 GIAF Cc1c(F)ccc2c1C1(CCC(NC(=O)OCc3ccccc3)CC1)NCC2 962373741 IXWNFOBKHCMQOF-UHFFFAOYSA-N 382.479 4.344 0 1 GIAF COc1c(CC=C(C)CO)cc(C(=O)O)cc1CC=C(C)[C@H](O)CC=C(C)C 2356402723 OEMOEHNEHVNPSL-OAQYLSRUSA-N 388.504 4.081 0 1 GIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=C[C@H](OC=O)[C@H]1C(C)(C)CCC[C@@]12C 2356599868 PHJOZXITNVLKST-CPNAEOBWSA-N 378.509 4.192 0 1 GIAF COC(=O)[C@@H](CC(C)C)C[P@](=O)(OC)[C@@H](C)NC(=O)OCc1ccccc1 148027776 ADMFGFFSDSSSIT-MCGQKYITSA-N 399.424 4.019 0 3 GIAF COc1cc2c(c(O)c1OC)C[C@H]1CCC(=O)N1[C@@H]2c1cccc2ccccc12 1654661 VJAJEAOAEAKPMX-IVZQSRNASA-N 389.451 4.199 0 1 GIAF CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(Cl)C4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C 11677135 PSJMYDLEWUWIAN-COPDJQILSA-N 390.907 4.362 0 1 GIAF biogenic COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)c1 13123554 XKEFORKYRPFTOU-UHFFFAOYSA-N 390.395 4.470 0 1 GIAF aggregator Cc1ccccc1N1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O 14947207 MYCILVXGXKNCJN-UHFFFAOYSA-N 381.229 4.415 0 1 GIAF COc1cc(OC)c([C@H]2CC[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC 18270560 JSEZFCVVWRJUJW-OKILXGFUSA-N 388.460 4.399 0 1 GIAF biogenic,in-vitro COc1ccc(C(=O)c2c(C)n(C[C@H]3CSCCN3C)c3ccccc23)cc1 26272649 LNTRJQSUSFTUQB-SFHVURJKSA-N 394.540 4.237 0 1 GIAF COC(=O)[C@]1(c2ccc(OC)cc2)C[C@@H]1CN1CCC(Cc2ccccc2)CC1 28635004 KNKFPQOWTXYRMB-RDGATRHJSA-N 393.527 4.081 0 1 GIAF COc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)ccc1OCCF 29127929 VVRAANFGOIKBRD-UHFFFAOYSA-N 378.875 4.019 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 33820816 LNOFKAWCANXKAC-MFSKYVBHSA-N 390.564 4.254 0 1 GIAF COc1ccc(OC)c(Nc2cc(-c3ccccn3)nc(-c3ccccn3)n2)c1 40395315 XOFRTQBPJBUNBO-UHFFFAOYSA-N 385.427 4.361 0 1 GIAF NCCCCCCNc1nc(Nc2cccc(F)c2)nc(-c2cccc(F)c2)n1 45357567 QODKFFUXDXPCLR-UHFFFAOYSA-N 398.461 4.491 0 1 GIAF CCOc1cccc(-c2nc(CN3CCN(c4ccccc4OC)CC3)co2)c1 72183759 BLNVEVMWSYHKRW-UHFFFAOYSA-N 393.487 4.071 0 1 GIAF COc1cc(/C=C(\C)[N+](=O)[O-])c(-c2ccccc2/C=C(\C)[N+](=O)[O-])c2c1OCO2 103228564 CZRHPRDMMSZUKA-QHKWOANTSA-N 398.371 4.366 0 1 GIAF COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(C)=C[C@H](OC=O)[C@H]1C(C)(C)CCC[C@@]12C 238740321 PHJOZXITNVLKST-OAVQTBGQSA-N 378.509 4.192 0 1 GIAF COC(=O)[C@@H]1[C@@H](c2ccc(-c3cccc(C(C)=O)c3)cc2)C[C@H]2CC[C@H]1N2C 253632630 CGGKEMRCMPNIGU-SSGKUCQKSA-N 377.484 4.296 0 1 GIAF C[C@@H](NC(=O)Nc1ncc2c(-c3ccnc(F)c3)n[nH]c2c1F)c1ccccc1 261071587 AEUMCUPXSPZPPY-LLVKDONJSA-N 394.385 4.181 0 1 GIAF Cc1nc(/C=C/[C@@H]2CC=CCCC[C@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O2)cs1 299806984 OAXHQZGPHDPLOS-QJOCTBTRSA-N 391.533 4.099 0 1 GIAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@H](O)C[C@H]1c1ccc(C)cc1 299812881 JOAXJGDCRUOOCX-RJGXRXQPSA-N 382.552 4.393 0 1 GIAF CS(=O)(=O)c1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 586924522 BAVNROCECMVXFA-UHFFFAOYSA-N 385.670 4.049 0 1 GIAF Cc1cnc(Cl)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 587002722 MWDKZXXOIQBBMQ-UHFFFAOYSA-N 390.672 4.275 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@@H]3SCCc4sccc43)nc-2[nH]1 587037736 XXFKJCXTGMKOAE-OAHLLOKOSA-N 395.513 4.062 0 1 GIAF COc1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(Cl)n1 587083649 DSJTZAYDLDQSCT-UHFFFAOYSA-N 378.688 4.336 0 1 GIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(Cl)nc2[nH]1 587112377 JBNAKGUJVWHAFI-MRXNPFEDSA-N 382.773 4.030 0 1 GIAF Cc1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1 587170480 DXAIIKZVNNUKBT-UHFFFAOYSA-N 381.432 4.478 0 1 GIAF COCCOC(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587364236 ZAYRXXSRCOQOQA-UHFFFAOYSA-N 391.423 4.389 0 1 GIAF CCc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587446678 DCPIXORJZFBHSY-RLWLMLJZSA-N 396.442 4.493 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3C[C@@H](C)O[C@H](C)C3)nc1)CC2=O 587480991 XHEHPOQTWMQXOK-PZPWOCDFSA-N 396.487 4.060 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)cn1 587547158 PVEZYLZXIHPMIS-APWZRJJASA-N 398.212 4.253 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCOc1cccc(F)c12 587573246 YMNSFPUQKCIYAC-SIKLNZKXSA-N 378.355 4.171 0 1 GIAF C[C@@H](O)Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587614903 DMSMOQYTGJBFPR-ODMCQALKSA-N 376.408 4.018 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2nsnc2c1 587620350 YHWSUBQNAQWANS-YLJYHZDGSA-N 376.393 4.100 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(C(=O)O)N1 587827948 MDJPFTWCCNICQV-HXPMCKFVSA-N 392.268 4.035 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C)c(C)nc1Cl 587869059 ZVRXRIXZOJSIFB-UHFFFAOYSA-N 383.761 4.022 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(OC)cc1 587870376 GOKYSTBXZONFNJ-AWEZNQCLSA-N 384.407 4.204 0 1 GIAF COc1cc2c(cc1OC)[C@H]([C@@H]1CCN(Cc3ccccc3)C1)N(C)[C@@H](C)C2 962645318 ZJSHLLZRKLETPL-PDOGEWKWSA-N 380.532 4.143 0 1 GIAF Cc1cc(Br)c(F)cc1[C@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963024655 KZOHZEVIIQUGKE-WYRIXSBYSA-N 389.268 4.039 0 1 GIAF O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773408 LQNPARKDORYGBC-JKSUJKDBSA-N 386.448 4.243 0 1 GIAF CC(C)(N)c1ccc(-c2nc(Nc3ccc(CCO)cc3)ncc2Cl)cc1 3936512 PLRCXTHWEOUWPE-UHFFFAOYSA-N 382.895 4.269 0 1 GIAF COC(=O)c1ccc2c(c1)C[C@@]1(C2)Cc2cc3c(c(C(=O)OC)c2C1)CCCC3 6385212 KADAXGCJTHRJPA-VWLOTQADSA-N 390.479 4.022 0 1 GIAF CCCCc1nc2c(c3c1C[C@@H](C)OC3)CN(CCOc1ccccc1)CC2 7991987 BNTMPFZIPSRSDY-GOSISDBHSA-N 380.532 4.323 0 1 GIAF CC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)OCc1cc(C)cc(C)c1 13736251 YJJKIQVHZFHYRR-QHCPKHFHSA-N 375.468 4.247 0 1 GIAF COc1cc(Nc2nc(-c3ccccc3)nc(N(C)C)n2)ccc1-c1cnco1 26247021 IBWTWYCJJKAGNJ-UHFFFAOYSA-N 388.431 4.012 0 1 GIAF C[C@@H](Oc1ccc(Oc2cnc3ccc(Br)cc3n2)cc1)C(=O)O 29475743 BXUHTNAITYOGIM-SNVBAGLBSA-N 389.205 4.037 0 1 GIAF Fc1cnc(N2CCN(CCCCc3ccc(F)c4ccccc34)CC2)nc1 29566034 CREVRAFFOUPVBT-UHFFFAOYSA-N 382.458 4.053 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O 33820814 PXHCARRJGFGPAC-SZQOYVLDSA-N 390.564 4.398 0 1 GIAF COC(=O)c1cc(NC(=O)Nc2nc3ccc(Cl)cc3s2)ccc1O 34867559 SPILAQGWKDGKBL-UHFFFAOYSA-N 377.809 4.086 0 1 GIAF NC[C@H](CC1CCCCC1)NC(=O)c1ccc(-c2ccnc3[nH]ccc23)s1 45189175 WLACIZOIMWNLLB-HNNXBMFYSA-N 382.533 4.319 0 1 GIAF Cc1ccc(C(=O)c2nc(N(C)Cc3cccnc3)nc3ccsc23)s1 48999175 VVLORNBXNONRLN-UHFFFAOYSA-N 380.498 4.324 0 1 GIAF CCCCNC(=O)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(C)C 82082425 ODFHXAFSMCSHQQ-FQEVSTJZSA-N 393.487 4.166 0 1 GIAF Cc1csc(-c2nc(CN3CCCC3=O)[nH]c2-c2ccc3ncsc3c2)n1 95562963 NEBUGKXURNWOSC-UHFFFAOYSA-N 395.513 4.241 0 1 GIAF CN(C)CCC[C@@H](O)[C@@]12CCC[C@H]3C[C@@](OCc4ccccc4)(CC[C@@]31C)O2 100806310 XMSDBHLEKDPJQE-QOXFPCGXSA-N 387.564 4.362 0 1 GIAF CC(C)NCc1cccc(-c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1 167299646 CKYXXCUUXLEPFD-UHFFFAOYSA-N 387.527 4.405 0 1 GIAF CN1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@@H]4[C@@H]3CC[C@@H]12 169321992 NNVCQUGSNITOPM-GVOHNIQESA-N 388.596 4.381 0 1 GIAF O=C(Nc1ccc(F)cc1)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 169721972 XSWAILVGDDEFSA-OKILXGFUSA-N 376.387 4.421 0 1 GIAF O=S(=O)(Nc1ccc(CCN2CCCCC2)cc1)c1ccc(F)c(Cl)c1 206067607 YSXXNKDCUHOKJD-UHFFFAOYSA-N 396.915 4.308 0 1 GIAF O=C(CCc1ccc(-c2ccc(O)cc2F)cc1)Nc1ccccc1C(=O)O 473109852 TZYNXZONPJOVAS-UHFFFAOYSA-N 379.387 4.468 0 1 GIAF CN(C)CCN=c1[nH]c2cc(Nc3ccnc4cc(Cl)ccc34)ccc2o1 474610066 ZTHAVUGVRSPZLB-UHFFFAOYSA-N 381.867 4.168 0 1 GIAF CC(=O)c1ccc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2c1 586965908 VMVYIDHFGXKJNI-UHFFFAOYSA-N 377.473 4.162 0 1 GIAF Brc1ccc(COc2ccccc2-c2nc3ncc[nH]c-3n2)cc1 586998700 NQQKLZFYBISFFC-UHFFFAOYSA-N 381.233 4.313 0 1 GIAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2nc(Br)c[nH]c-2n1 587066183 HPQFUGBZZDPGDJ-UHFFFAOYSA-N 388.656 4.487 0 1 GIAF CC(C)(C)Oc1cc(-c2nc3cncc(Br)c3[nH]2)c(N)cc1F 587136324 NNZLGFDJVVQWAN-UHFFFAOYSA-N 379.233 4.286 0 1 GIAF Nc1cccc2c1[C@@]1(CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336641 NXUVDQWJPCKCCU-JTHBVZDNSA-N 375.399 4.314 0 1 GIAF COc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccn1 587337964 NKASEJOLRTWKBO-IRLDBZIGSA-N 379.387 4.209 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C(=O)N(c4ccccc4)c4ccccc41)[C@@H](C2)C3=O 587436109 NJMGPLVLYDCMNL-UUOWRZLLSA-N 383.403 4.016 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCC)(c1cc3c(cc1N)OCCO3)CC2=O 587473569 XUJYBQJIQTVSTA-QHCPKHFHSA-N 397.471 4.359 0 1 GIAF CCOC(=O)[C@@H](Cc1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521705 FDBAELDTSMZCSZ-RBBKRZOGSA-N 378.468 4.321 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1cccnc1)c1cccnc1 587589215 WIIDYWOKSPJDPN-NRFANRHFSA-N 396.402 4.088 0 1 GIAF CCC[C@]1([C@@H](CC)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593586 LVLIZBUXYDRFAE-LZFQIVBZSA-N 384.428 4.092 0 1 GIAF COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587601012 PWIPAQNTZVSHAD-DENIHFKCSA-N 378.380 4.112 0 1 GIAF CC(=O)Cc1[nH]c2c(C)cc(Cl)cc2c1CN1C(=O)c2ccccc2C1=O 587626266 FMHQEJRISHPYER-UHFFFAOYSA-N 380.831 4.057 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3n[nH]c(Cl)c3c2)N1 587705316 MRXKQNHJKLSMPZ-WJWGPLDTSA-N 395.663 4.137 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3c(F)ccc(F)c32)N1 587727386 BZCMZLBOASTUGT-DYBLOJMWSA-N 398.222 4.427 0 1 GIAF COc1ccc(-c2cccc(-c3nc4nc(Br)c[nH]c-4n3)c2)cc1O 587787272 UHUGMRIPNVABRZ-UHFFFAOYSA-N 397.232 4.115 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC(C)(C)Cc3n[nH]cc32)N1 587799151 WRRAQDQGZGTBDM-MGNBDDOMSA-N 378.289 4.062 0 1 GIAF COc1cccc2c1[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587809407 QHOLGIZLRLYLCF-JEOXALJRSA-N 376.269 4.321 0 1 GIAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587809531 UFBUXZSUSUCLIJ-XTZNXHDOSA-N 380.257 4.229 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)Cc1cccn1C 587860560 WVBMVBVIEWUTLG-UHFFFAOYSA-N 378.259 4.477 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(N(C)C)cc1 587862731 WYIWINLAFXJDMZ-UHFFFAOYSA-N 389.377 4.332 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccnc(SC)n1 587866896 RVTSSJRQOQWYSW-UHFFFAOYSA-N 380.395 4.469 0 1 GIAF Cc1c([C@]2(C)NCCc3ccc(F)c(C)c32)sc2c1C(=O)N/C(=C/Cl)N2 962149528 WVICEOOVDQZWGB-FSENSJEKSA-N 391.899 4.106 0 1 GIAF c1ccc(N2CCN3[C@H](Cc4ccccc4[C@]34CCCc3scnc34)C2)cc1 962633740 GLLURWKOQSFEKF-YKSBVNFPSA-N 387.552 4.470 0 1 GIAF Cc1nc2ccccn2c1[C@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962695823 FRQGRXPDHLYSCU-AOMKIAJQSA-N 381.520 4.409 0 1 GIAF CCc1cccnc1[C@@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963206921 ZRDSDQNMJVGTIK-ACJLOTCBSA-N 398.812 4.179 0 1 GIAF O=C(NCc1ccc([C@@H]2NCCc3ccc(O)cc32)cc1)OCc1ccccc1 963329357 MTZPXYXNHOGFCJ-QHCPKHFHSA-N 388.467 4.054 0 1 GIAF Cc1nnc2n1-c1sc(C3CCOCC3)c(Cc3ccccc3)c1COC2 1857574082 AOEYEBQEUBFUGV-UHFFFAOYSA-N 381.501 4.152 0 1 GIAF CC(C)[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@H](C(=O)COC(=O)C=Cc3ccccc3)[C@H]12 2356656210 FAXXBSGOEYEFII-ULSZTJCNSA-N 384.516 4.272 0 1 GIAF CCCN(C(=O)Cc1ccccc1OC)c1nnc(-c2ccc(OC)cc2)s1 1356523 NTIDDHDYECNRFW-UHFFFAOYSA-N 397.500 4.208 0 1 GIAF O=C(c1cn(CCN2CCOCC2)c2ccccc12)[C@H]1CCCc2ccccc21 13742613 GPHIUMQUEWFRCO-QFIPXVFZSA-N 388.511 4.276 0 1 GIAF CC(=O)O[C@H]1O[C@@H]2OC(=O)C[C@@H]2[C@@H]1[C@]1(C)CC[C@@H]2C(=CCCC2(C)C)[C@H]1C 14584409 VBKKDDNQMXQEGC-VZMPGNNMSA-N 376.493 4.210 0 1 GIAF N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 71318620 GAQCDUGVDCYPBQ-LJQANCHMSA-N 378.859 4.080 0 1 GIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)[C@H](C(=O)OCC)[C@H]1c1ccccc1 79091421 DQJSMPMSGCZRKT-VQTJNVASSA-N 391.467 4.398 0 1 GIAF O=C(NC(=O)c1c(F)cccc1F)OCc1ccc(-c2ccc(F)cc2)o1 103221279 GMTNBFMRMGBCCN-UHFFFAOYSA-N 375.302 4.431 0 1 GIAF O=C1O[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)C(Br)=C1O 103290631 AHAZFWOFYHSMMF-GOSISDBHSA-N 397.228 4.302 0 1 GIAF Cc1cnc(-c2cc(F)ccc2F)cc1Nc1ccnc2cnn(C[C@@H](C)O)c12 140518686 PQZIGFJNJYUDOU-CYBMUJFWSA-N 395.413 4.204 0 1 GIAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@@H]1COc2cnc(Cl)cc21 146548841 MEZVKPXBNGPJJG-LLVKDONJSA-N 391.176 4.200 0 1 GIAF Cc1ccc(-c2[nH]nc3c2Cc2cc(CNC4CCC(O)CC4)ccc2-3)s1 169693384 UDDWFCSMHFOHCH-UHFFFAOYSA-N 379.529 4.411 0 1 GIAF O=C1CC[C@@H](/C=C/[C@H](O)CCCCCC=C(Br)Br)O1 198354524 MZAQGPQBEPVOJJ-IDDPWSFUSA-N 396.119 4.191 0 1 GIAF CCC[C@@H](NC(=O)c1ncco1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 473100662 JJGVVTUZGGAWOK-MRXNPFEDSA-N 385.855 4.441 0 1 GIAF C[C@@H]1C[C@@](C)(c2cc(CNC3(C(F)(F)F)CC3)c(F)cc2F)NC(=N)S1 584905686 ZQULGQNNJUBPOZ-PSLIRLAXSA-N 393.425 4.414 0 1 GIAF in-vitro Cc1ccc(NC(=O)CSCCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586970525 LSFFQKGRGCHEBC-UHFFFAOYSA-N 397.397 4.342 0 1 GIAF COc1cc(Br)cc(C=O)c1OCc1nc2ccc(C)cc2[nH]1 586979837 DHVVUGMCOLVHPN-UHFFFAOYSA-N 375.222 4.034 0 1 GIAF N[C@@H](c1ccsc1)c1nc2c(Br)ccc(Br)c2[nH]1 587025929 SXTZEEZJSRKENB-VIFPVBQESA-N 387.100 4.198 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(Cl)c(F)cc4[nH]3)cc12 587038971 VZAWXKRTBGTSHJ-QMMMGPOBSA-N 391.859 4.103 0 1 GIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587088842 SLJXAHMSQPAECN-LURJTMIESA-N 378.167 4.353 0 1 GIAF Cc1cncc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c12 587113310 GVDSABPTYGVJHL-UHFFFAOYSA-N 380.395 4.157 0 1 GIAF CC(=O)NC1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CCC(C)CC1 587234981 ZYCZKXPBDQSHPY-UHFFFAOYSA-N 390.356 4.154 0 1 GIAF COC(=O)c1cccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c12 587241402 AOEJGYWWBCYQGV-UHFFFAOYSA-N 383.404 4.069 0 1 GIAF CCOC(=O)CC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344035 BJGLYJGIFVNQEB-JTHBVZDNSA-N 398.430 4.382 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(OC)ccc4nc1Cl)[C@@H](C2)C3=O 587421335 PCMRVZXHZOSVMQ-VBKZILBWSA-N 381.815 4.394 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(CC(=O)O)c3ccccc13)CC2=O 587468851 BJQCBXLGHARORC-HXUWFJFHSA-N 393.439 4.399 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccoc1Br 587543209 JYRQYMLGNFZGRQ-WMLDXEAASA-N 387.185 4.451 0 1 GIAF Nc1cc2c(cc1Cl)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587551677 IJOMLOSIYAGDJW-DENIHFKCSA-N 393.826 4.431 0 1 GIAF Cc1[nH]nc2c1[C@@]1(CC(C)(C)C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594118 KIAFHOJPJCBQER-WMZHIEFXSA-N 390.439 4.253 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2cc(F)ccc2F)N1 587720199 RLOGZGQZZGAZKG-ZKANADHPSA-N 384.195 4.325 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H](O)c3ccccc32)N1 587833366 NBCPMJCCMXVKNW-ZBJVWZGCSA-N 376.269 4.193 0 1 GIAF COC(=O)[C@]1(c2c(Cl)ccc(F)c2Cl)NCCc2ccc(F)c(C)c21 962293850 ALGJWBIUPCUZTN-SFHVURJKSA-N 386.225 4.142 0 1 GIAF COc1cc2c(cc1OC)[C@@H](C1CCN(c3cccc(C)n3)CC1)N(C)[C@H](C)C2 962628237 LQDKBVCDDMSOEI-MZNJEOGPSA-N 395.547 4.241 0 1 GIAF COC(=O)c1ccc(-c2ccc([C@@]3(C)NCCc4nc5ccccn5c43)cc2)cc1 962981927 HUMYWDDIKJNYTH-RUZDIDTESA-N 397.478 4.197 0 1 GIAF COc1ccc(F)cc1[C@]1(C[C@@H](C)CC(=O)O)NCCc2cc(Cl)ccc21 963391650 WCKBMDNRSDDXNN-YEJXKQKISA-N 391.870 4.378 0 1 GIAF C[C@@]1(Cc2ccc([C@H]3C=CN=CC3)cc2)NC(=O)c2cc(Cl)ccc2NC1=O 1772597160 PEIZKVNKRNRLFR-AOMKIAJQSA-N 393.874 4.095 0 1 GIAF O=C(Nc1ccccc1)c1cccc(/C=C2\CC(=O)N(c3ccccc3)C2=O)c1 1857613210 DMUPBGPVIPHEOQ-XDJHFCHBSA-N 382.419 4.286 0 1 GIAF Fc1ccc2nc(CO[C@@H]3CN(Cc4ccc(Cl)cc4)C[C@@H]3F)[nH]c2c1 2356357953 VZOZVIWYCCKCMF-MAUKXSAKSA-N 377.822 4.095 0 1 GIAF O=C(O)[C@@H]1C=C[C@@H]2C[C@@H]3[C@H](CCCc4ccc5c(c4)OCO5)[C@@H]4C=C[C@@H]1[C@@H]2[C@@H]43 2356417172 SSXKICOQNGDABW-JMAUZYRHSA-N 378.468 4.309 0 1 GIAF COc1cc(C(=O)O[C@@H]2CC(C)=CCC3=C(C)[C@](O)(C(C)C)C[C@H]32)ccc1O 2356633005 JYYOKKXDQOIMGH-KKLQWCBXSA-N 386.488 4.390 0 1 GIAF CNC(=O)N1Cc2c(ccc([C@@]3(C)CCCC(C)(C)C3)c2[C@@H](C)C(=O)O)C1=O 2356805252 ZQQLQLZNBHFWAS-DMZKTXOQSA-N 386.492 4.028 0 1 GIAF C[C@@H](C[C@H](O)C(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356847097 OTRAYPQDIGAWSD-ATLSNTRPSA-N 392.580 4.478 0 1 GIAF CN1CCN(c2ccc3c(c2)[C@H]2C[C@H]3CCN2C(=O)OCc2ccccc2)CC1 102815496 CQQWIHMDQBNBBE-AUSIDOKSSA-N 391.515 4.009 0 3 GIAF CN(C)C(=O)c1ccc(-c2nc(N(C)Cc3ccco3)c3ccccc3n2)cc1 4268393 QBUHGPFYONQHDX-UHFFFAOYSA-N 386.455 4.228 0 1 GIAF CCOC(=O)C[C@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 13491896 BFYFCBBJFMGJDA-OAQYLSRUSA-N 379.500 4.072 0 1 GIAF Cc1c(C(=O)c2coc3ccccc23)c2ccccc2n1CCN1CCOCC1 13742600 CEBLITXHJFDKAP-UHFFFAOYSA-N 388.467 4.259 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1ccccc1)CN(CCCCN(C)C)CC2 13743912 GYOHDBSQAACLOI-QFIPXVFZSA-N 382.548 4.036 0 1 GIAF COc1cc(OC)c([C@@H]2CCCc3c(OC)cc(OC)c(OC)c32)cc1OC 14635682 YMXBJIPWIQCYMH-ZDUSSCGKSA-N 388.460 4.206 0 1 GIAF biogenic Cc1ccc2c(nc3s/c(=C/c4ccc(-c5ccccc5F)o4)c(=O)n32)c1C 33301922 IRTDMLYKHIWUGP-YBFXNURJSA-N 390.439 4.473 0 1 GIAF COc1cccc(SC[C@@H](C)CN[C@@H]2COc3ccccc3SC2)c1N 43021169 WGSBHQRKKFYQIF-LSDHHAIUSA-N 390.574 4.149 0 1 GIAF O=C(O)CCC(=O)Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 49089400 YTHNMNPBQXHWOJ-UHFFFAOYSA-N 377.322 4.052 0 1 GIAF NC(=O)c1ccc2c(ccn2CC(=O)COc2ccc(-c3ccccc3)cc2)c1 49111348 JQDZRMMBCWRYHU-UHFFFAOYSA-N 384.435 4.055 0 1 GIAF O=C1C(=O)N(c2cccc(Cl)c2Cl)CCN1Cc1ccc(Cl)cc1 95565578 LPJRBVPOCCRJLR-UHFFFAOYSA-N 383.662 4.022 0 1 GIAF COc1ccc(CSc2nc(O)c(C)c(C(=O)c3cccc(F)c3)n2)cc1 96939926 SCRAOTIFLSEVGQ-UHFFFAOYSA-N 384.432 4.162 0 1 GIAF CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C(Cl)[C@H](c4ccccc43)[C@@H]2C1=O 103907977 BIUBPNDUNFZVLJ-DPZWOIPNSA-N 379.843 4.208 0 1 GIAF CC(C)(C)NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)C1CCCCC1 144320875 IKVXXYJVUWSLCH-LJQANCHMSA-N 383.492 4.106 0 1 GIAF CC1=C(c2nc(-c3cccc(C#N)c3)cs2)[C@@H](c2ccc(O)cc2)NC(=O)N1 206400424 FGFPZCBWVKAKCD-LJQANCHMSA-N 388.452 4.172 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)[C@@H](O)CC[C@@]34CO[C@@](/C=C/c5ccccc5)(O[C@H]1[C@H]32)O4 238734503 KCBJXTPRNWHMEW-CLRPASRGSA-N 384.516 4.381 0 1 GIAF O=C1C[C@@H](Sc2cccc(C(F)(F)F)c2)N1C(=O)NCc1ccccc1 299865356 NMDMLRQONMMTQF-MRXNPFEDSA-N 380.391 4.266 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586915120 BAYHBGUPFSIRGG-OYHNWAKOSA-N 390.418 4.104 0 1 GIAF Clc1ccc(Br)nc1-c1nc2cc(Br)cnc2[nH]1 587004972 HAICNGXJXWZHJV-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF FC(F)(F)c1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cn1 587007254 PAVDYUOBXOQCJR-UHFFFAOYSA-N 382.143 4.054 0 1 GIAF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cnncc4[nH]3)c(Cl)cc12 587078579 WJMOSLPKWJMTES-JTQLQIEISA-N 384.823 4.205 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(Cl)c(F)cc3[nH]2)C(F)(F)C1 587133102 XDUKVVFDGLTGRJ-MRVPVSSYSA-N 375.778 4.325 0 1 GIAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4c(Cl)ncnc4[nH]3)c(F)c2)c1 587138378 GUHZBZHRSCEREP-UHFFFAOYSA-N 386.745 4.317 0 1 GIAF COc1cc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)nn1-c1ccccc1F 587155925 IUNGSYJYUQKNTB-UHFFFAOYSA-N 392.312 4.462 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(-c3coc4cc(F)ccc34)[nH]c2c1 587174269 ILPUSRSPNKLTQS-UHFFFAOYSA-N 387.436 4.194 0 1 GIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(OC)c(F)cc4[nH]3)c2)c1 587232187 NBPHWSLNABMNHR-UHFFFAOYSA-N 389.430 4.328 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc(Br)c2[nH]1 587234071 WBMLSGDBQWGIOR-CMPLNLGQSA-N 380.286 4.486 0 1 GIAF Cn1ncc(Cl)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326835 DDWIAWRIHRMQSN-PXNSSMCTSA-N 386.810 4.193 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCC(F)F)c(OC)c1)[C@@H](C2)C3=O 587419475 CHAARYASDPGQAB-QKKBWIMNSA-N 390.382 4.011 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](C(F)(F)C(=O)OCC)C1)CC2=O 587460710 IXRVLHORAUZRPY-XCLFUZPHSA-N 396.430 4.437 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1nnn(-c3ccc(C)cc3)c1C)CC2=O 587474538 FWMAEVNRKJXCDY-HSZRJFAPSA-N 391.471 4.423 0 1 GIAF Cc1cc(C)cc(OCc2nc3cc(Br)cc(C(=O)O)c3[nH]2)c1 587563959 CZLQYBAVIKCLBX-UHFFFAOYSA-N 375.222 4.219 0 1 GIAF COc1cc(F)c2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567053 BQADXXCYYXAOSX-NFBKMPQASA-N 392.382 4.343 0 1 GIAF COc1cc(F)c2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567055 BQADXXCYYXAOSX-OFNKIYASSA-N 392.382 4.343 0 1 GIAF Cc1cc(-n2cccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)no1 587580850 ZPEJOCKKEROBRO-SIKLNZKXSA-N 388.379 4.182 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2c1cncnc1 587586606 KVAQFQFYPDTZDF-DHJUGAMNSA-N 388.423 4.240 0 1 GIAF CCOC(=O)C[C@]1(CC2CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597703 RNDWVKOYOBUSIH-OFNKIYASSA-N 396.439 4.236 0 1 GIAF Cc1nc2scc(C)n2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619044 QOIFUJUCGUHYIH-JXFKEZNVSA-N 392.436 4.421 0 1 GIAF COc1ccc(Br)cc1-c1[nH]c2cc(F)ccc2c1CC(=O)O 587632765 OYDAFDUJQNJVFR-UHFFFAOYSA-N 378.197 4.372 0 1 GIAF CC(C)n1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587763611 KNDNHTKPAJZGLC-XIKOKIGWSA-N 380.305 4.358 0 1 GIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C)c(Br)cc3[nH]2)cc1 587938102 SDSQYCOMCHFEMX-GTNSWQLSSA-N 375.266 4.480 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(CC3CCC(C)(C)CC3)[nH]c2c1 587961252 QOYOFNNQVLTCGS-UHFFFAOYSA-N 377.554 4.400 0 1 GIAF COc1ccc([C@]2(OCC3CCCCC3)SC=C(C)n3c2noc3=O)cc1 653905147 HBUITWKMFLZWFK-FQEVSTJZSA-N 388.489 4.208 0 1 GIAF CC(C)[C@@H]1OC2(CCN(CCc3ccccc3)CC2)CN(c2ccccc2)C1=O 1857535230 TZGRGSUVKBRDCV-QHCPKHFHSA-N 392.543 4.152 0 1 GIAF Cc1ccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C(=O)NC2CCCCC2)cc1 1377964 BBPMKPPMMBFWTQ-SEJPIABJSA-N 383.536 4.153 0 3 GIAF CC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(C)cc(C)c1c2=O 61921291 BUXKCEVGGOBMEB-GOSISDBHSA-N 383.451 4.350 0 3 GIAF COc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1Cl 592936 VKBIYXIQBVJEPV-UHFFFAOYSA-N 397.283 4.258 0 1 GIAF CCc1cc2c(cc1CCCC(=O)O)C[C@@]1(Cc3ccc(C(=O)O)cc3C1)C2 1855347 IJXUAEAOFQKZJH-XMMPIXPASA-N 378.468 4.238 0 1 GIAF CCCCCCC1=Cc2cc(OC)c(OC)cc2[C@@H]([C@H](C(C)=O)C(=O)OC)O1 7992235 JDTQVVQXMHVUQK-SFTDATJTSA-N 390.476 4.465 0 1 GIAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(N(C)C)cc3C)c(C)nn12 13583108 AVIYBZJGACSQAF-UHFFFAOYSA-N 380.540 4.409 0 1 GIAF CS(=O)(=O)c1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 13588879 VRDHCNBRPDKRFT-UHFFFAOYSA-N 398.267 4.098 0 1 GIAF CC(C)C/C=C1/C[C@@](CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O 28704348 QVOXHUHSSXCOAL-LTVGTUHNSA-N 382.541 4.279 0 1 GIAF O=C(O)C(=O)CC(=O)c1cccc(N(Cc2ccccc2)Cc2ccccc2)c1 32090939 RMWVENXKUQXLPW-UHFFFAOYSA-N 387.435 4.120 0 1 GIAF in-vivo COc1ccccc1-c1cn2c(-c3ccc(C)c(F)c3)c(CN)c(C)nc2n1 38267620 FSDYNCFUOXFLKJ-UHFFFAOYSA-N 376.435 4.287 0 1 GIAF CCOC(=O)c1c(CC)c(C)c(CC)n1Cc1cc(OC)c(OC)c(OC)c1 45254804 YLMIDWNXUCZTCB-UHFFFAOYSA-N 389.492 4.172 0 1 GIAF CCN(C)C(=O)c1ccc([C@]2(c3cccc(O)c3)CCCN(CC3CC3)C2)cc1 45347184 RXKVSPJEZMPYDL-VWLOTQADSA-N 392.543 4.276 0 1 GIAF O=C1Cc2cnc(Nc3ccccc3Br)nc2-c2ccccc2N1 45358379 SPGJVHVPLQMJKD-UHFFFAOYSA-N 381.233 4.144 0 1 GIAF COC(=O)c1cnc(C(=O)[C@@H]2CCc3cc(OCc4ccccc4)ccc3C2)o1 71329810 ASLILWCUQSECNK-GOSISDBHSA-N 391.423 4.028 0 1 GIAF CCCCOC(=O)N[C@H](C(=O)N[C@H](C)c1nc2ccc(F)cc2s1)C(C)C 95589027 MEFRFYXPBNKFGY-WBMJQRKESA-N 395.500 4.164 0 1 GIAF COc1ccccc1[C@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@@H]1CCCO1 103544877 DDCCBFZIUCCNNG-YCRPNKLZSA-N 397.471 4.226 0 1 GIAF CC(C)(C)OC(=O)N1CCCCC[C@@]12CCCN(c1ncnc3[nH]ccc13)C2 143882020 LZYDYKXGOPKGQG-NRFANRHFSA-N 385.512 4.108 0 1 GIAF CC(C)(C)OCCCNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166478938 HQKZUDPGUZCUIQ-UHFFFAOYSA-N 395.503 4.169 0 1 GIAF CCc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167193305 CPNUWFLHRDXKQI-UHFFFAOYSA-N 387.483 4.054 0 1 GIAF O[C@@H](CNc1cccc(-c2cccc3[nH]cnc23)c1)CN1CCc2ccccc2C1 219750045 APHASUFVZNWOIN-QFIPXVFZSA-N 398.510 4.061 0 1 GIAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H]3CCOC3)[nH]c12 586912463 SLGCHPOPWGVGBD-SNVBAGLBSA-N 393.340 4.477 0 1 GIAF COC(=O)c1ccc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2c1 586977903 VFCXEIREADXQHS-YWEYNIOJSA-N 387.233 4.291 0 1 GIAF Cc1cc2nc([C@H](N)Cc3ccc(O)c(Cl)c3)[nH]c2cc1Br 587052502 CQAMVRAXPFHBBU-GFCCVEGCSA-N 380.673 4.235 0 1 GIAF Oc1nncc2[nH]c(-c3ccc(COc4cccc(Cl)c4Cl)o3)nc12 587054846 CIUNHFJHLPQDFB-UHFFFAOYSA-N 377.187 4.204 0 1 GIAF Cc1csc([C@](O)(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)C(F)(F)F)n1 587094398 RGMNVUXIMVLBMH-GFCCVEGCSA-N 397.209 4.022 0 1 GIAF COC(=O)c1ccnc2[nH]c(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)nc12 587198150 HFRBWODGMIQZIQ-UHFFFAOYSA-N 396.447 4.091 0 1 GIAF CCCCOC(=O)C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345766 GOOBZSICISRIFG-IFMALSPDSA-N 386.419 4.382 0 1 GIAF CCOc1cc(Br)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587379000 YWZNKHFUMKHSND-KRWDZBQOSA-N 376.250 4.445 0 1 GIAF COc1cc2c3c(c1)O[C@](c1cccs1)([C@@H](O)c1cccs1)[C@@H](C2)C3=O 587448716 BOPJYIZGUDOZKO-QTJFZDIUSA-N 384.478 4.195 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(Cc2ccccc2)c1 587583431 WDLTUQZIAZXDKL-ZJSXRUAMSA-N 398.418 4.340 0 1 GIAF CCC(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587707781 WVFLBTJPGVIDDN-RMLUDKJBSA-N 382.195 4.249 0 1 GIAF COc1c(F)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587721155 OYUHZCLEOZFDMR-ZKANADHPSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3nc(F)ccc23)N1 587737916 IFLJNBZDEMVFSS-VPTHRUTESA-N 378.220 4.227 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccncc2)(c2ccncc2)N1 587776147 BHVAVIKZYOWQCL-CYBMUJFWSA-N 398.279 4.204 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C1 587792720 CIFLJQBIADTUGY-FFGPMFLQSA-N 398.316 4.317 0 1 GIAF COC[C@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798209 YPZQKCFAROLFDA-DJJJIMSYSA-N 378.285 4.207 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(O)cc(C(C)C)n1 587863240 VWSZRXMTINJDOB-UHFFFAOYSA-N 378.354 4.186 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)N[C@@H](C)C1CC1 587867017 UJVKRWLDWDMTLL-NSHDSACASA-N 383.439 4.489 0 1 GIAF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccc(F)cc2)c1O 587945776 QTKHEDUWAWGXJJ-MRXNPFEDSA-N 378.306 4.328 0 1 GIAF Cc1c(F)ccc2c1[C@H](c1cc3nccc(NC(=O)C(C)(C)C)c3o1)NCC2 962091339 JZLSIWMDIJSBTM-IBGZPJMESA-N 381.451 4.495 0 1 GIAF COc1ccc2c(c1OC)[C@H](c1cccc(C(OC)OC)c1F)N(C)[C@@H](C)C2 962627129 GPKNINRPQANZOJ-RBZFPXEDSA-N 389.467 4.100 0 1 GIAF O=C(NC1CC1)c1ccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962706995 MWOPLZMGMDRVIV-XMSQKQJNSA-N 396.531 4.171 0 1 GIAF O=C(O)[C@]1(c2cc(Cl)ccc2Cl)c2c(F)cccc2C[C@@H]2CCCN21 963098702 JAWBUFMJZDWYPD-DJJJIMSYSA-N 380.246 4.481 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21CCCc2c1cnn2-c1ccccc1 963612566 SILUTFNICAFEGF-GYCJOSAFSA-N 389.499 4.004 0 1 GIAF CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nncn32)C(C)(C)C1 1772589306 GBDLKEIBOORERY-UHFFFAOYSA-N 378.501 4.345 0 1 GIAF COc1cc(F)c(-c2cc(F)cc([C@H](CC(=O)O)c3ncco3)c2)c(F)c1 1772612467 GHLSZPYXCSHEJZ-AWEZNQCLSA-N 377.318 4.374 0 1 GIAF CC(C)(C)c1cc(NC(=O)c2ccc(C(=O)NCCN)cc2)cc(C(C)(C)C)c1 1772621853 BLFSPTKDYNIXTO-UHFFFAOYSA-N 395.547 4.222 0 1 GIAF COc1cccc(-c2csc(N3CCN(C(=O)C4CCCCC4)CC3)n2)c1 1349974 VSSKQYMEQGMUAF-UHFFFAOYSA-N 385.533 4.048 0 3 GIAF O=C1C2=NCCNC(c3ccccc3)=C2[C@H](c2ccccc2)N1c1ccccc1 2494674 ZLQWBIMOFDLJCF-DEOSSOPVSA-N 379.463 4.230 0 1 GIAF CCCCCCC1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215878 ZPCXAUOJBCUVFD-KSEOMHKRSA-N 398.503 4.013 0 1 GIAF CC1=C(C(=O)N2CCCCC2)[C@H](c2cccs2)n2c(nc3ccccc32)N1 4597491 HFUZPWGCADLLMM-IBGZPJMESA-N 378.501 4.399 0 1 GIAF Cc1ccc(/C=C2\CN(C)C[C@@H]3C2=NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 6522398 TWQNLQSVHIFNMC-LDZGDMBKSA-N 375.541 4.319 0 1 GIAF CC1(C)C(=O)C=C[C@@]2(C)[C@@H]1C[C@@H](O)[C@H]1[C@H]2CC[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@@]312 13298247 KYAONONRIXUXQW-XHEFFNOFSA-N 396.527 4.489 0 1 GIAF in-vitro CCOCn1nnc(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1 13489725 HGGZEKIWLQHYRC-UHFFFAOYSA-N 391.406 4.328 0 1 GIAF COC(=O)c1cc(-c2ccccc2OCc2ccc(Br)cc2)no1 13536234 DPCGDQIUYRDDET-UHFFFAOYSA-N 388.217 4.470 0 1 GIAF O=C(Nc1ccc(F)cc1)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 38332010 WLVQXWADNUWCOS-UHFFFAOYSA-N 398.401 4.406 0 1 GIAF Cc1cc(O)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21 40393489 VPBAFPNBOIHJCC-UHFFFAOYSA-N 375.457 4.099 0 1 GIAF COc1ccc([C@H]2CC(Nc3nc4ccc(C)cc4s3)=NN2C(C)=O)cc1O 45260118 NZEHWWJFXZWGPK-OAHLLOKOSA-N 396.472 4.038 0 1 GIAF COc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)cc1OC 64637953 AMXSPDWSLHYSFU-KRWDZBQOSA-N 398.459 4.009 0 1 GIAF COc1ccc(N2C(=N)C(=S)N(c3ccc(Br)cc3)C2=O)cc1 69061629 VHBVYUOBCBFZBQ-UHFFFAOYSA-N 390.262 4.209 0 1 GIAF FC(F)(F)Oc1ccc(-c2nc(CN3CCC(N4CCCC4)CC3)co2)cc1 72101948 WSCFWDJXTOBMEK-UHFFFAOYSA-N 395.425 4.300 0 1 GIAF CC[C@H](C)[C@H](Nc1nc(-c2ccc(C)c(C)c2)cs1)C(=O)NCCOC 82192469 WIHQLZKUYCNSCL-UGSOOPFHSA-N 375.538 4.016 0 1 GIAF O=C1Nc2cc(C(=O)O)ccc2/C1=C(/c1ccccc1)c1nc2ccccc2[nH]1 84741222 HLKARGIXQHWNKN-FMQUCBEESA-N 381.391 4.172 0 1 GIAF O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(OCCO)cc21 95575327 BEBRVWJJIIYATD-UHFFFAOYSA-N 395.405 4.409 0 1 GIAF COc1ccc(CNC[C@@H]2CCC[C@@H](CNCc3ccc(OC)cc3)C2)cc1 95587887 JNZDNHDIVPTPOV-FGZHOGPDSA-N 382.548 4.390 0 1 GIAF c1ccc2nc(N3CCC(Oc4nccnc4-c4ccncc4)CC3)ccc2c1 96168786 FGNQAMWQMBATHA-UHFFFAOYSA-N 383.455 4.135 0 1 GIAF COc1ccc(Nn2c(SCC(=O)c3cccc(F)c3)nc(C)c2C)cc1 103244271 FPUAAQRLCBOQCH-UHFFFAOYSA-N 385.464 4.498 0 1 GIAF O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2ccc(F)c(F)c2)O1 140092789 LRCGADNIJIRZLQ-NHCUHLMSSA-N 376.362 4.282 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C=C1C[C@H]3O 153209875 HCXLGXVBNGIUAC-ATIOCULMSA-N 390.564 4.398 0 1 GIAF Cc1nc2c(o1)C[C@@H](CN1CC=C(c3c[nH]c4cc(F)ccc34)CC1)CC2=O 169322321 UKBFTRTZQMOGIC-AWEZNQCLSA-N 379.435 4.138 0 1 GIAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)[C@@H]3CCCN3CC2)cc1OC 238750011 LCKAEOSNDAVOOZ-IBGZPJMESA-N 395.499 4.500 0 1 GIAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(F)c(Cl)cc3[nH]2)cc1 586940198 WXTISSPUYSGWOL-SNVBAGLBSA-N 381.860 4.099 0 1 GIAF CC(C)(SCC(=O)O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586958495 HOLVSDLFRPROII-UHFFFAOYSA-N 397.216 4.397 0 1 GIAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586983799 JBWTXZUVFHOAJG-SNVBAGLBSA-N 386.080 4.270 0 1 GIAF Brc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cn1 587029564 QDRCUELJBBXBBP-UHFFFAOYSA-N 387.262 4.423 0 1 GIAF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccccc3[nH]2)CC1 587090963 DKFLQPMUOUHYEI-UHFFFAOYSA-N 399.413 4.368 0 1 GIAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)cc2N1 587127083 RFABIIFOWBHCLE-LDWIPMOCSA-N 390.291 4.148 0 1 GIAF Cc1cc(Br)c2[nH]c(CCC(=O)Nc3cccc(F)c3)nc2c1 587162668 KJGPPQJRADYXFJ-UHFFFAOYSA-N 376.229 4.344 0 1 GIAF Oc1c(Br)ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c12 587164991 HPHXEHDRDDTLOL-UHFFFAOYSA-N 387.212 4.082 0 1 GIAF COc1cc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Cl 587195119 BSEHCOXPPCGYPI-LBPRGKRZSA-N 395.887 4.141 0 1 GIAF CCOC(=O)[C@H](Cc1ccc(C)cc1)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587399096 HWKXQLAUARJNOX-FDDCHVKYSA-N 381.472 4.032 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccsc1)([C@H](O)c1ccsc1)[C@@H](C2)C3=O 587451074 HTWQXULJVRSBMI-CWFSZBLJSA-N 384.478 4.195 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(O[C@@H](C)C(=O)O)cc1)CC2=O 587486660 SHNZPLKBLOLIAP-XMHCIUCPSA-N 384.428 4.077 0 1 GIAF CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518160 CFSMAHCHCPFWRW-IGCHPXFFSA-N 383.488 4.441 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)OC(F)(F)O2 587559199 ZMXISEYPMLFNKD-YLJYHZDGSA-N 398.317 4.417 0 1 GIAF C[C@@]1(c2ncc(Cl)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567380 HJDXOICTSPADAU-OXJNMPFZSA-N 385.778 4.457 0 1 GIAF CCCCOC(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594794 JEBBVBJWMCDKMI-KNQAVFIVSA-N 384.428 4.236 0 1 GIAF CC(=O)Nc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587744649 SDLUWVHIYDNIFY-YPMLDQLKSA-N 377.257 4.170 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCN(C)C)(c2cccs2)N1 587846101 GPSPJCGYIWNINH-KPZWWZAWSA-N 397.357 4.379 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1c(F)cccc1F 587868350 KYGCFXBQWUENNI-UHFFFAOYSA-N 398.291 4.331 0 1 GIAF c1ccc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)[C@@H](C4CCOCC4)N3)[nH]2)nc1 653739125 ZESIYZLDSXKFRW-IFMALSPDSA-N 399.498 4.308 0 1 GIAF COc1ccc([C@H](C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653768948 DSAKAVVBAPINHP-ZDUSSCGKSA-N 383.444 4.278 0 1 GIAF COC(=O)CC[C@]1(C(C)C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640585 RANPQRNXJXYBHQ-RDGATRHJSA-N 392.543 4.238 0 1 GIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(C(=O)O)=CN(C)c1c(C)cccc12 962941327 DPAZTXIYROYHQF-OWJWWREXSA-N 387.483 4.063 0 1 GIAF COc1cc([C@@H]2NCCc3c2sc(C)c3C)ccc1OC(=O)c1ccncc1 963031015 SMYWJIMNFKQIPR-FQEVSTJZSA-N 394.496 4.223 0 1 GIAF CN1CCN(c2nccc(Nc3ccc(-c4cccc(Cl)c4)cc3)n2)CC1 1857561888 LLMWPGCGESZAAD-UHFFFAOYSA-N 379.895 4.292 0 1 GIAF Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)c(Oc2ccc(C(=N)N)cc2)c1 1857611979 LTZNBAGSMKVQGA-UHFFFAOYSA-N 399.447 4.011 0 1 GIAF O=S(=O)(c1ccc(Oc2cc(F)cc(Cl)c2)c2c1[C@@H](O)CC2)C(F)F 1857636094 FJZLLSMTDQFRCS-LBPRGKRZSA-N 392.782 4.247 0 1 GIAF Cc1c(C(=O)NN2C(=O)[C@@H](C)SC23CCCC3)[nH]c2ccc(Cl)cc12 1911570761 UVSFKVNKOTXUOM-LLVKDONJSA-N 377.897 4.009 0 1 GIAF CC(=O)OC[C@]1(C)[C@H](O)CC[C@]2(C)[C@H](CCC(C)=CC(=O)O)C(C)=CC[C@H]21 2356682973 CBLDNPFHFIUPAK-GIGYVVOSSA-N 378.509 4.110 0 1 GIAF CCCCN(C(=O)CC)[C@@H](C(=O)NCc1ccccc1)c1ccc(OC)cc1 2356856727 SDBOGMFKXIETMD-JOCHJYFZSA-N 382.504 4.091 0 1 GIAF CC[C@@H](CO)Oc1cc(NCc2cccc(OC)c2)c2ncn(C(C)C)c2c1 61948975 CYOKVGJAVZOKIF-KRWDZBQOSA-N 383.492 4.388 0 3 GIAF O=C(Nc1ccccc1)N1CC[C@@]2(CCCN(C(=O)Oc3ccccc3)C2)C1 3955970 BAUMIJPDLHGZMJ-QFIPXVFZSA-N 379.460 4.205 0 1 GIAF COc1ccc([C@H]2C(=O)c3c(OC)cc(OC)cc3O[C@@H]2c2cccnc2)cc1 13220583 KSVXEEMRTGJPEI-NZQKXSOJSA-N 391.423 4.208 0 1 GIAF CCc1cc(-c2ccccn2)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 13744120 KHJAAASIOCVJJL-UHFFFAOYSA-N 395.507 4.447 0 1 GIAF C=C1C(=O)C=CC(C)(C)[C@]12C[C@H](Br)[C@@](C)(Cl)C[C@H]2OC(C)=O 14860866 WJPXJFRAAMMVGZ-HDEZJCGLSA-N 389.717 4.181 0 1 GIAF biogenic Fc1ccc(CN2CCN(Cc3nc4ccsc4n4cccc34)CC2)cc1 22938347 QUJXTOCQGXKMEK-UHFFFAOYSA-N 380.492 4.006 0 1 GIAF N[S@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1 25977011 TVUMWUGUCFPKHP-DEOSSOPVSA-N 377.775 4.292 0 1 GIAF CCOc1ccc(-n2c(C)c3c(C)nnc(NC[C@@H]4CCCO4)c3c2C)cc1 28569435 FEBZPRWSSJUQKB-IBGZPJMESA-N 380.492 4.335 0 1 GIAF Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCC[C@H](C)C2)cc1 35901048 JJPQJBHHIMNRNW-SFHVURJKSA-N 391.515 4.195 0 1 GIAF O=C(NC(=S)N1CCc2ccc(OCc3ccccc3)cc21)c1ccccc1 43009450 KQKOFLFTORYAGD-UHFFFAOYSA-N 388.492 4.343 0 1 GIAF O=C(O)c1cn(Cc2ccc(-c3ccc(F)cc3)nc2)c2c(F)cccc2c1=O 45337021 UGMKPUXCYKLMHE-UHFFFAOYSA-N 392.361 4.088 0 1 GIAF CC(=O)c1cn(S(=O)(=O)c2ccc(Br)cc2)c2cc(C)ccc12 49785546 UNSQYDYEVRJSFD-UHFFFAOYSA-N 392.274 4.152 0 1 GIAF CC(C)n1nc(-c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)c2c(N)ncnc21 64564517 PFRDPPRTLFHGLR-UHFFFAOYSA-N 392.463 4.394 0 1 GIAF CN1C/C=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cc(N)cc(c2)C1 73197061 JCRCSNBABSGPEN-NSCUHMNNSA-N 387.487 4.240 0 1 GIAF CC(=O)c1cc(C(=O)O)c2sc3ccc(OC4CCCCC4)cc3n2c1=O 82152920 VOWXNIGPFPITEO-UHFFFAOYSA-N 385.441 4.127 0 1 GIAF COc1ccc(C(CC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1 95580849 UXZIIVKNBAQFKC-QFIPXVFZSA-N 375.468 4.222 0 1 GIAF O=C(O)CCc1ccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)no2)cc1 97103282 XHMOKJUURBBPQY-UHFFFAOYSA-N 392.333 4.352 0 1 GIAF O=C(C1CCCCC1)N1C[C@H]2N[C@@H](C1)[C@H]2c1ccc(-c2cccc(F)c2)cc1 100101706 CQZULIQLCVWXNS-JKHIJQBDSA-N 378.491 4.339 0 1 GIAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc(Cl)c2)cc1 142272131 ANYYAYRURPGARN-IZZDOVSWSA-N 398.871 4.220 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)[C@@H]([C@@H]1OC(=O)/C=C/c1ccccc1)[C@@](C)(O)CC[C@H]2O 238754144 HVLYGZJHRBJSCY-MYDQEJALSA-N 386.532 4.206 0 1 GIAF COc1cc(-c2nc(-c3c[nH]c4ccccc34)cnc2O)cc(OC)c1OC 299821323 CGXHFSJDSWAEMT-UHFFFAOYSA-N 377.400 4.023 0 1 GIAF Cc1c(Br)ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c12 586924817 ATDFUGCEUUTGGH-KTKRTIGZSA-N 377.263 4.078 0 1 GIAF O=C1COc2cc(-c3cc4c5c(c(O)ccc5n3)C(=O)c3ccccc3-4)ccc2N1 586990158 VUTIKDQYNVKVQT-UHFFFAOYSA-N 394.386 4.150 0 1 GIAF Brc1ccc2cc(-c3nc4ccnc(Br)c4[nH]3)cn2c1 587006011 FBNAHCPYTIITLC-UHFFFAOYSA-N 392.054 4.403 0 1 GIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(C(F)(F)F)ncc2[nH]1 587041803 FOKSYORVKIYJAV-LBPRGKRZSA-N 398.797 4.286 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587043358 QBKFTYCJTCSLIV-NSHDSACASA-N 375.391 4.341 0 1 GIAF FC(F)(F)c1ncc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)nc-2[nH]1 587074254 RIHJHHOOAHGQDK-CYBMUJFWSA-N 381.789 4.314 0 1 GIAF Fc1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1F 587118307 LLGGSMKMCPCOFD-UHFFFAOYSA-N 395.129 4.062 0 1 GIAF O=C(N[C@@H](c1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1 587222509 ZRGNFIAEDAMMDH-KRWDZBQOSA-N 396.372 4.496 0 1 GIAF Cc1c(C(=O)c2c(CO)oc3cc(Br)cnc23)oc2ccccc12 587275983 IGMHWNWPGRCHEA-UHFFFAOYSA-N 386.201 4.368 0 1 GIAF CCOC(=O)[C@@H]1[C@H](C)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351449 UUGBNHJSPRNXSP-LTRJHNHXSA-N 398.430 4.238 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H](C(F)(F)C(=O)OCC)C1)CC2=O 587463345 XJMUROTYJKRXBP-HXPMCKFVSA-N 382.403 4.047 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC[C@H]3CO3)c(OC)c1)CC2=O 587483715 GCSJFUIKMLIAES-CMJOXMDJSA-N 398.455 4.012 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(C=O)c1)(C1CCOCC1)CC2=O 587486441 LAYFFVTWOMSREZ-XMMPIXPASA-N 394.467 4.445 0 1 GIAF Cc1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587657163 XLECJHDFEQUVBI-UHFFFAOYSA-N 376.362 4.339 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(C(F)(F)F)N1 587708647 CRSDHFJJQXJRIW-PSLIRLAXSA-N 389.190 4.323 0 1 GIAF C[C@H](N(C)C)[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587744436 ZXGCYGJIGKUYJC-CKNLXJGOSA-N 391.328 4.316 0 1 GIAF CC/C=C\CCOC(=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587790760 GITXFISSRZHUGF-NSHICSFLSA-N 384.289 4.237 0 1 GIAF O=S(=O)(O)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955533 MMZYIBQCKZSKKK-GOSISDBHSA-N 378.453 4.184 0 1 GIAF Cc1ccccc1CC[C@@]1(C2CC2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963220961 JBYYIBWLUWDLOI-NOZRDPDXSA-N 386.495 4.380 0 1 GIAF Cc1cccc2c1[C@@H](c1cccn1C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963918005 XFQNOPNGLGKZAE-OXQOHEQNSA-N 384.476 4.059 0 1 GIAF O=C(/C=C/c1ccccc1)OCCCc1cn(Cc2ccc(Cl)cc2)nn1 1857591750 FWDCXKYNERSZGY-JLHYYAGUSA-N 381.863 4.169 0 1 GIAF C[C@@H](Oc1cc(-c2cnn3cccnc23)cnc1N)c1cc(F)ccc1Cl 1911573958 BLFQPIJHWWEMBK-LLVKDONJSA-N 383.814 4.306 0 1 GIAF O=C(O)C1=C[C@H](O)[C@@H]2C[C@@H]3[C@H](CCCCCc4ccc(O)cc4)[C@@H]4C=C[C@@H]1[C@H]2[C@@H]43 2356608744 UFUIABFILCOVIM-KWEHEGDVSA-N 394.511 4.181 0 1 GIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=CC[C@@H]1[C@@](C)(C(=O)OC)CCC[C@@]12C 2356670064 YSYZPARABHAHEC-RESYIPQXSA-N 378.509 4.193 0 1 GIAF COc1ccc(OC)c(C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CC[C@H](O)[C@@]3(C)O)c1 2356805165 VEVBGIXZPCUVGB-MLDZSTCASA-N 376.537 4.211 0 1 GIAF Cc1ccc(-n2c(S)c(C(=O)N[C@@H](C)c3ccccc3)[n+]3ccccc23)cc1 5694337 PUKFBVCCKZFSBJ-KRWDZBQOSA-O 388.516 4.304 0 3 GIAF COc1ccc([C@H](CCN2CCCCC2)c2c(O)cc(OC)cc2OC)cc1 13661520 GGQWKKHLNJYCQA-FQEVSTJZSA-N 385.504 4.426 0 3 GIAF O=C(Nc1ccc(Cl)cc1)[C@H]1Cc2c(-c3ccc4c(c3)OCO4)ccnc2O1 61905123 LYCGXXGZZGWADA-LJQANCHMSA-N 394.814 4.073 0 3 GIAF COc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2ccc(F)cc2)cc1 199725851 OATYMAOGMFLHIL-UHFFFAOYSA-N 398.459 4.038 0 3 GIAF CC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 13531252 ZVZBMRUPOUQIJT-CQSZACIVSA-N 393.380 4.124 0 1 GIAF CSC(=O)N1c2ccccc2-n2cnc(-c3noc(C4CC4)n3)c2C1(C)C 13745329 VHFSELBAKYFNBS-UHFFFAOYSA-N 381.461 4.338 0 1 GIAF CCO/C=C(\C(=O)OC)[C@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C[C@@H]1CC 26835962 FHHQKUALRHZYHF-UBTZVRBCSA-N 382.504 4.207 0 1 GIAF Fc1cccc2c(CCN3CCC[C@@H](c4ccnc(NC5CC5)n4)C3)c[nH]c12 40405368 RDEFRPKDNCMTEK-MRXNPFEDSA-N 379.483 4.093 0 1 GIAF in-vitro COC(=O)c1ccc(CC[C@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 45167928 FXTLIXUHQIPSDM-IFXJQAMLSA-N 395.421 4.136 0 1 GIAF CN1CCN(c2ccc(-c3cc(-c4cc(F)c(F)c(F)c4)cnc3N)cc2)CC1 45202273 LTOPKNFUJYAJRC-UHFFFAOYSA-N 398.432 4.167 0 1 GIAF COc1c(OCCCN2CCCC2)cc2oc(-c3ccccc3)cc(=O)c2c1O 73196150 JAYBSWMFFYCDMD-UHFFFAOYSA-N 395.455 4.039 0 1 GIAF CC[C@]1(C(=O)NCCc2cc(Br)cs2)[C@H](C)C1(Cl)Cl 103282917 HSAZOXSTUROZGE-QPUJVOFHSA-N 385.154 4.389 0 1 GIAF CCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1cc(Cl)ccc1OC(F)F 104060013 KYOFFFNOHYECBG-NXXVSJRMSA-N 384.770 4.034 0 1 GIAF COc1ccc(Oc2ccc(F)cc2C(=O)Nc2cc[nH]c(=O)c2)c(Cl)c1 143195833 CGHVTPLFSBFCMC-UHFFFAOYSA-N 388.782 4.221 0 1 GIAF COc1cc(C(F)(F)F)ccc1C(=O)N[C@@]1(c2ccccc2)CCCN(C)C1 169335855 OTBDMFJWWASBDF-FQEVSTJZSA-N 392.421 4.065 0 1 GIAF CCCCC[C@H](O)CC[C@H]1[C@H]2C[C@H](OC(=O)O2)[C@@H]1C/C=C\CCCC(=O)O 207686571 CVQLYMOSZQTFDP-NFUXFLSFSA-N 382.497 4.449 0 1 GIAF in-vitro COC(=O)[C@@H]1[C@H](c2ccc(-c3cccc(C(C)=O)c3)cc2)C[C@H]2CC[C@H]1N2C 253632628 CGGKEMRCMPNIGU-KAOXLYBCSA-N 377.484 4.296 0 1 GIAF Cn1cc([C@@H]2CCN([C@@H]3Cc4cccc5cccc3c45)C[C@H]2O)c2cccnc21 253639848 VOHINDSZXQXORW-CDNPAEQRSA-N 383.495 4.174 0 1 GIAF CN1[C@H]2CC[C@H]1CC(OC(=O)[C@H](Cc1ccccc1)Oc1ccc(Cl)cc1)C2 253867371 ZCXLVQYDLLUFKR-IPJJNNNSSA-N 399.918 4.499 0 1 GIAF Cc1cc(Oc2ncccc2OC(F)(F)F)ccc1-c1c(C)n[nH]c(=O)c1C 261103162 GUXWGZYSBYEWPF-UHFFFAOYSA-N 391.349 4.448 0 1 GIAF Cc1ccc(C2=Nc3nc4ccccn4c3C(=O)[C@H](Cc3ccccc3)N2)c(C)c1 299858919 FDPJMQJPCMFUNW-FQEVSTJZSA-N 394.478 4.427 0 1 GIAF O=C(CCSc1nnc(-c2ccncc2)s1)NCc1ccccc1Cl 473081290 BVVPXEJKQVHRFQ-UHFFFAOYSA-N 390.921 4.052 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CCCO[C@H]3CC)nc2c1 586907477 ATJHOFWLXCXSRT-RISCZKNCSA-N 381.270 4.175 0 1 GIAF N[C@@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@@H]1c1ccccc1F 587153890 BDHDODJLPLGXCS-PSLIRLAXSA-N 386.299 4.093 0 1 GIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587336863 KQTJILCSUHBFGX-UNMCSNQZSA-N 379.387 4.209 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc3c(c1)CCC(=O)N3)O2 587401411 QWTIMVQFRNLOIW-VWLOTQADSA-N 398.462 4.371 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1cccc(F)c1)([C@@H](C)CC(=O)O)CC2=O 587466774 MQKIWPJMHSPAPR-WHEQGISXSA-N 386.419 4.455 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(Cn3ccnc3)c1)CC2=O 587468613 ABRMZPBUHZXYAD-QFIPXVFZSA-N 392.455 4.305 0 1 GIAF COc1cc(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1 587540985 CMRMEKOPYASEKP-RXVVDRJESA-N 398.798 4.463 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)nc1Cl 587551594 HJSKORVBXVFRSD-CJNGLKHVSA-N 389.194 4.192 0 1 GIAF CCOC(=O)[C@H]1CC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587595640 LJVLOPSKOGAQRU-CQIVLNHVSA-N 396.439 4.092 0 1 GIAF COc1cc2c(cc1F)[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587734918 SPRIVNGXDUSLEG-DGIBIBHMSA-N 394.259 4.460 0 1 GIAF CC(C)CCN1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587769288 ODJPLUOQCDTBTP-AWEZNQCLSA-N 383.349 4.460 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccc(O)cc3C2)N1 587830484 CNUDPBAZEMDDEX-NSPYISDASA-N 376.269 4.212 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-n3ccnc3)cs2)N1 587847208 JPUYAAKWRBSXDA-QGHHPUGFSA-N 392.297 4.459 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C)nc1 587864485 KTYFZKLHEAMUIR-UHFFFAOYSA-N 375.350 4.360 0 1 GIAF COc1ccc(/C=C/Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(OC)c1 587928421 BWTZUZMKWZGLNF-HWKANZROSA-N 378.407 4.161 0 1 GIAF CN1C(=O)C[C@H]2CN[C@@]3(CCC=C3CSc3ccccc3)c3cccc1c32 963033768 UOIHMABZXGZFQH-QMHKHESXSA-N 376.525 4.448 0 1 GIAF Oc1ccc2c(c1)[C@H](c1c(Br)cccc1N1CCCCC1)NCC2 963350813 DQMDQTAPJRMTPS-HXUWFJFHSA-N 387.321 4.380 0 1 GIAF O=C(NCCCc1ccc(Cl)cc1Cl)c1cc2ccc(O)cc2oc1=O 1857564492 LBSBAXJJEKWXFO-UHFFFAOYSA-N 392.238 4.168 0 1 GIAF COc1ccc([C@@](C)(O)c2nc(-c3c(C)noc3C)nc3ccccc23)cc1 1911571881 CPXHWMYEUIQVBC-JOCHJYFZSA-N 375.428 4.166 0 1 GIAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]2[C@@]23C=CCC[C@H]2[C@@]1(C(=O)CCC)OC3=O 2356780026 IRKACHWWOSXIEC-GAJUBPNTSA-N 396.483 4.181 0 1 GIAF CS(=O)(=O)c1cccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)c1 8536363 HBLDNAVQCOHUEH-UHFFFAOYSA-N 393.443 4.348 0 1 GIAF Clc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2c1 13762480 YMQVTFAERCACRG-UHFFFAOYSA-N 376.891 4.463 0 1 GIAF Cc1cccc(C)c1NC(=O)CNCCCC(=O)Nc1cccc(Cl)c1C 28706766 SUHOJDLPPPIIDS-UHFFFAOYSA-N 387.911 4.212 0 1 GIAF O=C(c1ccc2cc[nH]c2c1)N1CCc2c(cnn2-c2ccccc2Cl)C1 28708546 ZMIQUNOONZJLAK-UHFFFAOYSA-N 376.847 4.206 0 1 GIAF CN[C@@H]1CCN(CCCOc2ccc(-c3nc4ccc(F)c(C)c4[nH]3)c(C)c2)C1 49088894 VQKSVUVAYXONBW-QGZVFWFLSA-N 396.510 4.048 0 1 GIAF CC(C)CNc1ncnc2c1nc(-c1ccsc1)n2CC[C@H]1CCCN1C 82177969 JZNXZKJWGWTLHM-MRXNPFEDSA-N 384.553 4.107 0 1 GIAF c1ccc(OCCNC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 95594010 ZCYQPTKLMLTYQD-DEOSSOPVSA-N 389.495 4.014 0 1 GIAF CC1=C2C=CNC(=O)[C@@H]2C(C)=C2C1=Nc1ccc(OC(=O)c3ccccc3)cc12 95921055 WTDCOWKJENHJKG-OAQYLSRUSA-N 382.419 4.355 0 1 GIAF in-vitro ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@@H]4C[C@@H]([C@@H]5O[C@@H]45)[C@@H]3[C@@]1(Cl)C2(Cl)Cl 100091866 DFBKLUNHFCTMDC-DIBQPCNCSA-N 380.913 4.481 0 1 GIAF endogenous,in-man O=C1CC(=O)N(C2CCCC2)C(=O)N1CCc1ccc(-c2ccccc2)cc1 101678042 UYXCBAGDHXGDBK-UHFFFAOYSA-N 376.456 4.020 0 1 GIAF Cc1ccc(-c2cc(C(=O)NCc3cccnc3)n(Cc3ccccc3)n2)cc1 103184661 VBPAXMOIPLKIKM-UHFFFAOYSA-N 382.467 4.232 0 1 GIAF CC(C)CN1CCC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166679170 XPXLRRPGCIAZGH-UHFFFAOYSA-N 394.519 4.129 0 1 GIAF CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](C1(O)CCCC1)/C=C/C=C/3CO 169296516 VMCWPULFQCTDQB-CXASJLPMSA-N 394.511 4.010 0 1 GIAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1cccc(Cl)c1 169723956 YBIKDBYTIIQUOE-RDJZCZTQSA-N 377.868 4.303 0 1 GIAF Cc1ccc(C2(NC(=O)Nc3cc4[nH]nc(-c5ccnc(C)c5)c4cn3)CC2)cc1 219748493 PQRIAVWIWUQWEX-UHFFFAOYSA-N 398.470 4.448 0 1 GIAF Cc1cnc2[nH]c([C@@H](C)S/C=C3\NC(=O)c4c(sc(C)c4C)N3)nc2c1 587030434 DXOYHSMHMJVFGT-ZTFCMROMSA-N 385.518 4.393 0 1 GIAF CN(C)C(=O)c1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587136441 GWHLOUJZNKWNGM-UHFFFAOYSA-N 396.647 4.487 0 1 GIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4c(C)ccnc4[nH]3)cc2)cc1F 587148000 XLCIRPJQJBJPIY-UHFFFAOYSA-N 388.446 4.413 0 1 GIAF Fc1ncc(Br)cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587177959 JBCDYJWDNYKKFD-UHFFFAOYSA-N 376.107 4.425 0 1 GIAF CN(C)c1ccc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)nc1 587195494 WFBWSENGHIVNPG-UHFFFAOYSA-N 385.187 4.472 0 1 GIAF C[C@@]1(c2cnc3ccccn23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341731 XILSUHLPBNIOBG-GGAORHGYSA-N 388.398 4.453 0 1 GIAF CCCC[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348128 MRZYTJLRSLOQDU-UGKGYDQZSA-N 386.419 4.382 0 1 GIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H]2CC(=O)NC[C@@H]32)c1 587362027 COUPGVLIUKKCSA-RHSMWYFYSA-N 384.435 4.432 0 1 GIAF CCCc1c(O)ccc2c1O[C@](COC(C)=O)(c1ccc(F)cc1F)CC2=O 587465688 HEXIMCCACOYZAE-OAQYLSRUSA-N 390.382 4.047 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1sc(=N)[nH]c1C)CC2=O 587493411 GXBPYJDRZZUTMH-QFIPXVFZSA-N 394.496 4.431 0 1 GIAF COc1c(F)cccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554018 CKNLKWKTBWDDGI-PGRDOPGGSA-N 380.371 4.417 0 1 GIAF CC(C)[C@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572238 UMUFLWPUMCZXBV-SIKLNZKXSA-N 379.387 4.439 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Cn1cccn1 587581521 LUGBMAMGDBTRGM-ZJSXRUAMSA-N 398.418 4.340 0 1 GIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(OC)c1 587601229 ROKRXAGHJYYHAQ-NZQKXSOJSA-N 392.407 4.286 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3cc(F)ccc32)N1 587733739 OJYBAJXWLPXIFU-MGNBDDOMSA-N 378.216 4.411 0 1 GIAF COc1cc2c(cc1F)CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587733835 OXAVCOZOWAFEPZ-APBUJDDRSA-N 394.259 4.460 0 1 GIAF NS(=O)(=O)c1cccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587950529 RRUZREMDNDLMID-YPKPFQOOSA-N 391.452 4.173 0 1 GIAF COc1ccc2c([C@@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)c(O)[nH]c2c1 962714418 OOOCEBFEOVPYLG-ASSNKEHSSA-N 398.503 4.474 0 1 GIAF C[C@@]1(c2nc(Br)ccc2F)c2c(F)cccc2C[C@@H]2CCCN21 963111916 WINOHSNDHHCUMD-SGTLLEGYSA-N 379.248 4.406 0 1 GIAF COc1cc2c(c(OC)c1OC)-c1cc3cc([C@@H](C)O)oc3cc1C(=O)CC2 1772613140 NFNOPLXEIPMZNE-LLVKDONJSA-N 382.412 4.308 0 1 GIAF COc1cc(C2=CCCCc3c2ccc2c3c(CO)cn2C)cc(OC)c1OC 1772614707 IYJDSVHXKVJYLM-UHFFFAOYSA-N 393.483 4.464 0 1 GIAF O=C(O)c1cc(NC(=O)c2ccco2)cc(-c2ccc(C3CCNCC3)cc2)c1 1857594175 BCMXAJZFBDINAU-UHFFFAOYSA-N 390.439 4.364 0 1 GIAF COc1ccc(OCCC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1 1857595876 JVULOVDNILKGFG-UHFFFAOYSA-N 378.472 4.498 0 1 GIAF Cc1sc(-c2cnccn2)nc1OCc1ccc(CN2CCCCC2)cc1 1857767656 PQZOFBHZQUDQQJ-UHFFFAOYSA-N 380.517 4.473 0 1 GIAF Cc1cccc(C(=O)NC2C[C@@H]3CCC[C@H](C2)N3C(=O)NC2CCCCC2)c1 1377980 UAUHAXQFAHPNTI-SEJPIABJSA-N 383.536 4.153 0 3 GIAF CC(=O)c1ccc(OCc2cc(C(=O)NCCc3ccc(Cl)cc3)no2)cc1 12057420 XTNYQQQDCMZWKA-UHFFFAOYSA-N 398.846 4.082 0 3 GIAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccc(Cl)cc3Cl)C[C@@H]12 205220627 IXRCQDFDYUVICB-NVXWUHKLSA-N 375.255 4.177 0 3 GIAF O=C(NCc1nc(NC2CCCC2)c2cc(Cl)ccc2n1)c1cscn1 12450566 XVKFQJCDNZIJCX-UHFFFAOYSA-N 387.896 4.024 0 1 GIAF O[C@H](CCCN1CCN2CCc3[nH]c4ccccc4c3[C@@H]2C1)c1ccc(F)cc1 19364808 GGLXFWQANMJCNR-XZOQPEGZSA-N 393.506 4.036 0 1 GIAF Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(-c2ccccc2)cc1 28889857 SEOMBCRGSYUWGG-UHFFFAOYSA-N 383.455 4.347 0 1 GIAF Fc1cccc2c(CCN3CCC[C@H](c4ccnc(NC5CC5)n4)C3)c[nH]c12 40405365 RDEFRPKDNCMTEK-INIZCTEOSA-N 379.483 4.093 0 1 GIAF in-vitro Cc1ccc(NC(=O)N2CCN(Cc3sc4ccccc4c3C)CC2)cn1 43121623 JKNLIJJXFRRERH-UHFFFAOYSA-N 380.517 4.263 0 1 GIAF CC(C)(Cc1cc(F)cc(F)c1)NC[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 45255298 HFMVPHZRVZPYOC-MRXNPFEDSA-N 389.273 4.498 0 1 GIAF c1cnc2[nH]cc(-c3ccnc(Nc4ccc(CCN5CCCC5)cc4)n3)c2c1 72177249 QXFVBAFHAZNZRX-UHFFFAOYSA-N 384.487 4.402 0 1 GIAF O=C(Cc1cccc(C(F)(F)F)c1Cl)N[C@H]1COc2nc(Cl)ccc21 146655786 LFCMXCSIOASYDH-NSHDSACASA-N 391.176 4.200 0 1 GIAF Cc1cc(NC[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)ncc1F 261154304 PPPKSFAIKFKFSX-KOMQPUFPSA-N 390.890 4.287 0 1 GIAF COc1cc(-c2cnc(O)c(-c3c[nH]c4ccccc34)n2)cc(OC)c1OC 299829719 HWWLTZJUBSVGQC-UHFFFAOYSA-N 377.400 4.023 0 1 GIAF O=C1c2cc(Cl)cc(Cl)c2O[C@H]2c3[nH]c4ccc(O)cc4c3CCN12 474609013 NOUOPZFPGPMLKI-SFHVURJKSA-N 375.211 4.270 0 1 GIAF Cc1c(-c2nc3cc(I)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905306 KDCSVQYZCLPAQM-LBPRGKRZSA-N 394.212 4.106 0 1 GIAF COc1cc(Cl)ccc1-c1nc2cccc(I)c2[nH]1 587066539 MCPRFNCEFBYSQV-UHFFFAOYSA-N 384.604 4.497 0 1 GIAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H]2CNC(=O)C[C@@H]32)c1 587362353 FNXSVXYNIIHKNI-WMLDXEAASA-N 384.435 4.432 0 1 GIAF CCc1cc2c(O)nc(O)nc2nc1-c1ccc(Cl)c(Br)c1 587366323 MYUBYOTZKXQBII-UHFFFAOYSA-N 380.629 4.081 0 1 GIAF CCOC(=O)[C@H](CC(C)C)n1cccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587389306 GNVPNXHRIIDDQH-AZUAARDMSA-N 384.476 4.236 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(N(C)C)cc1C(F)(F)F)[C@@H](C2)C3=O 587421259 ORZWLKZRWCOMPV-LIRRHRJNSA-N 377.362 4.269 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(F)cc(Br)c(F)c1F)[C@@H](C2)C3=O 587421860 AWFTYEXSSBZNQC-WNWIJWBNSA-N 399.162 4.364 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccccc4)Nc4ccccc41)[C@@H](C2)C3=O 587442887 ZOERBDJBMNOVOJ-KDSXSNECSA-N 397.430 4.074 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(COc3cc(C)cc(C)c3)nc2c1 587565107 WLYGYBXPBPKHCT-UHFFFAOYSA-N 389.249 4.308 0 1 GIAF Cn1cc(-c2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cn1 587584037 YNRGBAYKRJTATP-ZJSXRUAMSA-N 398.418 4.496 0 1 GIAF CCOC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc(F)ccc12 587632813 REZPOFASSVHWIO-UHFFFAOYSA-N 390.208 4.482 0 1 GIAF CCn1nc(C)c(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587700710 WCSANFMKTACMHT-VXJOIVPMSA-N 386.696 4.390 0 1 GIAF Cc1[nH]c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)O 587789440 DDHXPPVKEHYVJS-CVJBHZAOSA-N 395.272 4.029 0 1 GIAF CCOC(=O)C[C@]1([C@@H](C)CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797970 NDPLAAHPPZGOBG-OAVHHTNSSA-N 386.305 4.317 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](O)c3ccccc32)N1 587833360 NBCPMJCCMXVKNW-RIPJAXHCSA-N 376.269 4.193 0 1 GIAF COc1nc(Cl)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587850763 FMXNAYMBQMPAHE-KGFZYKRKSA-N 391.693 4.330 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1cnc(C)cn1 587858006 CKCGTBMWLQPETA-UHFFFAOYSA-N 377.231 4.043 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C(=O)O)ccc1Cl 587866664 INHOUGCRKZIPIQ-UHFFFAOYSA-N 397.740 4.313 0 1 GIAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Br)cc(C)c3[nH]2)cc1 587938652 YCKKCJCFKJHWEO-GTNSWQLSSA-N 375.266 4.480 0 1 GIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1c1cncc(F)c1 961747140 GPDGWEOBVUMBAG-FQEVSTJZSA-N 383.467 4.461 0 1 GIAF Cc1ccc2nc(N3CCCc4ccc(F)cc4C3)cc(N[C@@H](C)CN)c2c1 1857745154 JEQZHMDGQGUAGE-INIZCTEOSA-N 378.495 4.394 0 1 GIAF CCCCCc1cc(OC(C)=O)c2c(c1)OC(C)(C)C1=C2[C@@H](O)[C@@](C)(O)CC1 1857770652 PAJAQJGAODSPPI-GGAORHGYSA-N 388.504 4.175 0 1 GIAF CC(=O)[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]3CCC23OCCO3)C1 2356321799 WVWLZTRPYHOEKB-RBMXHDPQSA-N 376.537 4.092 0 1 GIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C(=O)OC)=CC[C@@H]1C(C)(C)CCC[C@@]12C 2356574254 SKINSGNGSUPVKT-SEPFQZFQSA-N 378.509 4.193 0 1 GIAF O=C(c1cc(COc2cccc(C(F)(F)F)c2)on1)N1C[C@@H]2CCC[C@H]1C2 12703133 IHFVBLAGJBKLIE-OCCSQVGLSA-N 380.366 4.287 0 3 GIAF COc1ccc(Cl)cc1-c1c(CCO)c(=O)[nH]c2ccc(C(F)(F)F)cc12 602660 HDBWMDUCFAXJCN-UHFFFAOYSA-N 397.780 4.411 0 1 GIAF Cc1cc(OCCN(C)C)c(C)c2c1CC[C@@H]([C@H](C)C(=O)NC1CCCC1)C2 4222642 MPLGIVPDFJPLHF-PKOBYXMFSA-N 386.580 4.044 0 1 GIAF biogenic COc1ccc(-c2nn(C)c3sc(C(=O)N4CCCC[C@H]4C)cc23)cc1OC 5007372 HVLTXAYZFYBHMB-CYBMUJFWSA-N 399.516 4.334 0 1 GIAF CC(C)Nc1cc(F)ccc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 5835071 PVSBNSIDLOICHG-UHFFFAOYSA-N 380.467 4.090 0 1 GIAF CNC(=O)C(=O)CCCCCCC(=O)Nc1cccc(Oc2ccccc2)c1 13553331 PMCYJRATMYCMEV-UHFFFAOYSA-N 382.460 4.073 0 1 GIAF C=C(CC)[C@@H]1Cc2c(ccc3c2O[C@@H]2COc4cc(C)c(OC)cc4[C@H]2C3=O)O1 14884397 JXJCGVQPZQIORS-KSEOMHKRSA-N 392.451 4.393 0 1 GIAF biogenic CN1Cc2cc(OCCCN3CCCCC3)ncc2[C@H](c2ccc(F)cc2)C1 28883213 LWZLGSJIXYLYMG-QFIPXVFZSA-N 383.511 4.053 0 1 GIAF COc1cccc2c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc(C)nc12 72139467 DYMKEHUXANTGRH-UHFFFAOYSA-N 395.890 4.168 0 1 GIAF O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc(Cl)c2)C1 95565433 JGLAGABYOFHCFP-UHFFFAOYSA-N 391.233 4.047 0 1 GIAF CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CC=C(c2ccc(Cl)cc2)CC1 95578626 DWQSNRURQWAIAX-NRFANRHFSA-N 396.918 4.410 0 1 GIAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)c4ccc(F)cc4)C[C@@H]2N3)cc1 100106137 QJHRKHZDWGYWMB-UBRQYEGLSA-N 386.470 4.381 0 1 GIAF NC(=O)c1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3[C@@H]2CCCc3ccccc32)c1 101366420 YLGCOVVLUSGKGA-MHXAIHSWSA-N 376.500 4.237 0 1 GIAF CCOC(=O)C1=C(C)NC(SCc2ccccc2)=N[C@H]1c1ccc(OC)cc1 101616243 PJAYIYLMTNPVCQ-FQEVSTJZSA-N 396.512 4.466 0 1 GIAF Cc1cc(O)c(-c2ccc(C3(CN)CC3)cc2)c2c1[nH]c(=O)c1sccc12 150070142 UFFWPCOIHLQCSD-UHFFFAOYSA-N 376.481 4.414 0 1 GIAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2CCC(C)(C)C)c1 169707073 IGKBLLMCTKGTFY-GOSISDBHSA-N 396.535 4.013 0 1 GIAF CC[C@@H](C)Oc1cc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ccn1 169709766 YMQWHDBHMSAPFE-HYFFOGBASA-N 397.519 4.114 0 1 GIAF O=C(O)c1ccccc1/C=C/c1nc2ccc(I)cc2[nH]1 586878466 DXLPEXDIJAVTHE-VMPITWQZSA-N 390.180 4.036 0 1 GIAF O=C(O)c1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1F 586976216 FISYJTSHICOPGP-UHFFFAOYSA-N 399.603 4.395 0 1 GIAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587067661 JMPVJMKFJBOQGS-OAHLLOKOSA-N 385.895 4.497 0 1 GIAF Cn1nnc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1C(F)F 587128345 KFMXSPYXRPVFIA-UHFFFAOYSA-N 396.117 4.077 0 1 GIAF Cc1cc(-c2nc3nc(Cl)c[nH]c-3n2)ccc1-c1ccc(C(=O)O)c(F)c1 587144390 KJRWQUCWFXHDAZ-UHFFFAOYSA-N 382.782 4.438 0 1 GIAF Cc1cc(Cl)cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c12 587196921 ZRKLSGPVQRBJHF-CQSZACIVSA-N 379.888 4.441 0 1 GIAF COc1cc(NC(=O)Cc2cc3c4c(cccc4n2)CC3)c(OC)cc1Cl 587209211 KDDJHRCXIGSBGC-UHFFFAOYSA-N 382.847 4.185 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c(Br)cc(F)cc31)O2 587384936 PWQBJOIYEWWQHC-GOSISDBHSA-N 376.225 4.286 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1sc(=Nc4ccccc4)[nH]c1Cl)[C@@H](C2)C3=O 587449835 HRWKWOKVGWVWNH-GUYCJALGSA-N 398.871 4.459 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)N[C@H](C)c1ccccc1)CC2=O 587470401 MIXLXWAVRDWTHO-IQMFZBJNSA-N 381.472 4.336 0 1 GIAF O=C1C[C@@H](c2ccc(Cl)nc2N2CCOCC2)Oc2c1ccc1c2CCCC1 587496298 BDQWBVWVJHRPMI-IBGZPJMESA-N 398.890 4.157 0 1 GIAF COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O[C@H](C)C(=O)O 587523090 NHWGVSBABXJETA-ZUOKHONESA-N 396.439 4.132 0 1 GIAF C[C@H](CCCCC(=O)O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605102 XHSZKTGMSWFYSM-LNHNDHHWSA-N 384.428 4.394 0 1 GIAF CCOC(=O)c1c(C2CN(C(=O)OC(C)(C)C)C2)[nH]c2ccc(F)c(Cl)c12 587632395 WERJVJRLYRUALM-UHFFFAOYSA-N 396.846 4.471 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Br)c[nH]2)N1 587685580 RPHNIMNWURCWDA-JKYUHCHBSA-N 388.078 4.302 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3c(F)cccc32)N1 587738722 QIQWJVFCQFGCKW-YPMLDQLKSA-N 379.248 4.321 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2c2cncnc2)N1 587777986 KNQXJRYPOINBOA-KPAZRMRSSA-N 390.300 4.466 0 1 GIAF CC(C)C1=CC=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C(=O)C1 587822900 NHSXZBXPRHCBTQ-CWTRNNRKSA-N 378.285 4.429 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(C(=O)O)N1 587827946 MDJPFTWCCNICQV-BUXKBTBVSA-N 392.268 4.035 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(C(=O)O)s2)N1 587844484 ATHRKOMPTFNVGM-VPTHRUTESA-N 384.270 4.146 0 1 GIAF CN(C)c1cccc(OCc2cc(=O)n3c(-c4ccccc4)csc3n2)c1 621431072 JWHSCIQTQVNOMU-UHFFFAOYSA-N 377.469 4.068 0 1 GIAF O=C(c1cc(Cl)c(O)cc1O)N1c2ccccc2CC[C@@H]1c1cccnc1 653678777 GIFBFVKPOAPOQF-GOSISDBHSA-N 380.831 4.481 0 1 GIAF COCCCN1CCc2ccc(OC)cc2[C@@H]1c1ccc(-n2cccn2)c(F)c1 961326801 RTVLSSNTLGCMSK-QHCPKHFHSA-N 395.478 4.004 0 1 GIAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(CCC[C@H]1Cc1ccc(Cl)cc1)NCC2 962926714 UIBWJTXRAYBTMH-CVDCTZTESA-N 382.935 4.426 0 1 GIAF CC(=O)C[C@@]1(C2(C)CC2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962952400 HSDBDZCLELRGGR-HXUWFJFHSA-N 381.438 4.331 0 1 GIAF CC1(C)Cc2cc([C@@H]3N[C@H](C(=O)O)Cc4c(Cl)cc(F)c(F)c43)ccc2O1 962968592 CVIKLGYNJDPYND-KSSFIOAISA-N 393.817 4.020 0 1 GIAF Cc1c(O)ccc2c1[C@@](C)(c1ccc(Cl)c(C(F)(F)F)c1)N[C@H](C(=O)O)C2 963494198 YEBQMFYUSRSBGX-KBXCAEBGSA-N 399.796 4.235 0 1 GIAF C[C@@]1(c2cccc(C=CC(=O)Nc3ccc(Cl)cn3)c2)CCSC(=N)N1 1857627740 HEBGLNQNACCBPV-IBGZPJMESA-N 386.908 4.263 0 1 GIAF CC(C)=CCc1c2c(c(O)c3ccoc13)C(=O)[C@H](c1ccc(O)cc1O)CO2 2356670881 GLCHYCYVVIZFRU-INIZCTEOSA-N 380.396 4.417 0 1 GIAF COc1cccc(NC(=O)[C@@]2(C)CCN2C(=O)Cc2cccc3ccccc23)c1 61902327 ZCTKQOAUJBGFGN-XMMPIXPASA-N 388.467 4.021 0 3 GIAF O=C1c2ccccc2C(=O)N1C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1 13436986 ZXIPGUHBRFTYRJ-WZONZLPQSA-N 396.446 4.139 0 1 GIAF O=C(O)[C@@H]1CCCN(CCO[C@@H](c2ccc(Cl)cc2)c2cccs2)C1 13729444 BWHLJWJFATWFTH-QAPCUYQASA-N 379.909 4.304 0 1 GIAF CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CCCC[C@@H](O)CC(=O)O)[C@H]21 27634358 YISUQKCHRLMYIA-FLNPMPMESA-N 392.536 4.499 0 1 GIAF Cc1ccc(-c2cc3c(cc2F)c(=O)c2c(O)nsc2n3C2CC2)c(C)n1 28570240 RJJIYFJFDDWEDG-UHFFFAOYSA-N 381.432 4.470 0 1 GIAF NC(=O)c1ccc(-c2cnc(C(=O)CCc3ccc(-c4ccccc4)cc3)o2)nc1 29136288 LWDPJRHTOVTKHC-UHFFFAOYSA-N 397.434 4.318 0 1 GIAF O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccco2)O1 29411161 XOAHTMYZYSBTNJ-HNFMAKEJSA-N 383.227 4.245 0 1 GIAF CCN1C(N2CCCCC2)=Nc2ccccc2[C@H]1CC(=O)NCc1ccccc1 40766863 OTPISXIISBCQOC-JOCHJYFZSA-N 390.531 4.243 0 1 GIAF in-vivo c1ccc(OCc2nc3c(OCCCNCc4cccnc4)cccc3o2)cc1 64527847 BVPJIKMCTSOMLU-UHFFFAOYSA-N 389.455 4.361 0 1 GIAF O=C(Nc1cc(NC(=O)C2CCCC2)ccn1)c1ccccc1Br 84671110 ROFBXPCCQBEMCJ-UHFFFAOYSA-N 388.265 4.225 0 1 GIAF Cc1ccnc(NC(=S)N2CCN(c3cccc(Cl)c3Cl)CC2)c1 95570799 DCDKZJBLVTVJFM-UHFFFAOYSA-N 381.332 4.216 0 1 GIAF Cc1ccc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1F 142316991 QFJYFIZXLZEBLO-VZUCSPMQSA-N 396.443 4.014 0 1 GIAF Cc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 169355925 XPINCFKWHIFHMC-SMIHKQSGSA-N 394.563 4.393 0 1 GIAF CCOC(=O)[C@@H](c1nc2ccccc2[nH]1)n1c(-c2cccnc2)nc2ccccc21 169693932 DXXLUGXPPMKKRV-HXUWFJFHSA-N 397.438 4.127 0 1 GIAF CCCOc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1C 169709827 QSWGGQARNVFKNR-LAUBAEHRSA-N 397.519 4.034 0 1 GIAF Cc1ccc2nc(Sc3sc(N)nc3C)n(Cc3ccccc3)c(=O)c2c1 299825411 CMKYKCYUWYTFIQ-UHFFFAOYSA-N 394.525 4.252 0 1 GIAF CN(CCCNC(=O)c1cc(Cl)cc(Cl)c1)c1nc2ccccc2[nH]1 473135900 VMLKLZPJTZRBBS-UHFFFAOYSA-N 377.275 4.126 0 1 GIAF CC1(C)OC(=O)C[C@H]1c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 586906024 BQOSZXYTAIIRIV-ZETCQYMHSA-N 393.159 4.033 0 1 GIAF Fc1cc(C(F)(F)F)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 586966300 AHQNZASAOOAZIP-UHFFFAOYSA-N 395.341 4.458 0 1 GIAF Cc1nc(COc2cccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c2)cs1 587020310 MXAFMZCFJDOGTH-SFHVURJKSA-N 379.445 4.298 0 1 GIAF FC(F)(F)C(F)(F)c1cc2nc(CSc3nnc(S)s3)[nH]c2cn1 587026437 XAUVIYYQENEWRF-UHFFFAOYSA-N 399.395 4.045 0 1 GIAF CCCCOc1cc2[nH]c(-c3c(N)cncc3OC)nc2cc1Br 587252848 PTMSRNAOOZHQEN-UHFFFAOYSA-N 391.269 4.157 0 1 GIAF COc1cc2c3c(c1)O[C@@H](CCc1ccc(OC(F)F)c(F)c1)[C@@H](C2)C3=O 587423228 SJHVXWUKRMYIML-HIFRSBDPSA-N 378.346 4.185 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OC)s1)[C@@H](C2)C3=O 587454471 ZPGXBQRQJAZBMW-BJOHPYRUSA-N 381.247 4.017 0 1 GIAF COc1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587599842 HYXYBQKIVIBNKI-TZIWHRDSSA-N 376.408 4.364 0 1 GIAF CCc1ccc(C(=O)c2c(C(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587649418 JEUBXGAGKXUBKH-UHFFFAOYSA-N 377.412 4.302 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3(CCOCC3)CC2)N1 587832712 CCYRIQCCAOSLLW-YJYMSZOUSA-N 380.301 4.465 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)OCCCO3)N1 587833929 ITLAAHJKKCPJAQ-WLRWDXFRSA-N 392.268 4.373 0 1 GIAF CC(C)c1nn(C)c2c1[C@](CCC(=O)O)(c1cccc(Cl)c1Cl)NCC2 962907658 IARGTJOPCWXATI-IBGZPJMESA-N 396.318 4.104 0 1 GIAF CC1CCC2(CC1)C[C@]1(c3ccc(O)cc3O2)c2c(N)ccc3c2CCN1C3 962963995 XSAKXEPZYPUSTN-LPHLNYGNSA-N 376.500 4.321 0 1 GIAF Cc1ccc2cc([C@@H]3NC[C@H]4CC(=O)N(C)c5cccc3c54)c(Cl)nc2c1 963025089 JLJLIUZJRWMXCD-SPLOXXLWSA-N 377.875 4.339 0 1 GIAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]12CCC[C@H]2C(C)(C)C 963134406 ALIQOHODQLDOHH-YRVVQQKDSA-N 394.537 4.431 0 1 GIAF Cc1cc(C)c(S(=O)(=O)NC(=O)CSc2ccc3ccccc3c2)c(C)c1 1857610357 UVKJPXXYLQSAGI-UHFFFAOYSA-N 399.537 4.362 0 1 GIAF CC[C@H]1CCCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857647601 ZERAOIGILUKWOF-WMLDXEAASA-N 386.442 4.082 0 1 GIAF CCO[C@H]1c2c(ccc(OC)c2OC)C=C2c3cc(OC)c(OC)cc3CCN21 2356800267 PWKCFIKSKKSYNR-QHCPKHFHSA-N 397.471 4.126 0 1 GIAF C[C@@]1(C(=O)Nc2ccc3ccccc3c2)CCC(=O)N1CCOc1ccccc1 95571029 FVHGLBWADKZGMS-DEOSSOPVSA-N 388.467 4.238 0 3 GIAF CCCCN1C(=O)C[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@]2(C)C1=O 5783579 IDRPPAXCLPSHQJ-CTVDGRRTSA-N 397.515 4.233 0 1 GIAF C[C@H]1CC[C@H](C)N1C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1 26400267 HVQFTLQVTZRSOZ-VOWMBKDMSA-N 394.559 4.349 0 1 GIAF CN1CCN(c2nc3ccccc3nc2Oc2ccc(Cl)c(Cl)c2)CC1 29053131 MFDUWTJZMQOHQW-UHFFFAOYSA-N 389.286 4.481 0 1 GIAF C[C@@H]([C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@]12CO)N(C)C 33833991 UCNIUVSOJLHWRM-AVYAGCKQSA-N 388.640 4.418 0 1 GIAF CC[C@H](O)c1cc(=O)oc2c(C(=O)CC(C)C)c(O)c3c(c12)OC(C)(C)C=C3 40379452 KGIZIVCWFFPHEN-AWEZNQCLSA-N 386.444 4.355 0 1 GIAF biogenic CN1CCN(C2=Nc3ccc(Br)cc3CC=C2c2ccccc2)CC1 40640110 BBGRAXIFNBPHIN-UHFFFAOYSA-N 396.332 4.366 0 1 GIAF COc1ccc(Cn2c(-c3ccc(OC)cc3)c(Cl)nc(Cl)c2=O)cc1 43019054 MHGQSPRYSJNFIB-UHFFFAOYSA-N 391.254 4.283 0 1 GIAF CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1C 43060846 WNCQWOMFQNVVTP-UHFFFAOYSA-N 390.527 4.423 0 1 GIAF COc1ccc(CNC(=O)[C@@H]2CCC[C@H]2C2=NO[C@@](C)(c3ccccc3)C2)cc1 45258616 BQYYFPTWPHHXOO-PQNGQFLHSA-N 392.499 4.419 0 1 GIAF Fc1cc(-c2cc3sc(N4CCC(N5CCCCC5)CC4)nc3cn2)ccn1 45285949 YPJIUKHOWACRQW-UHFFFAOYSA-N 397.523 4.347 0 1 GIAF Nc1c(-c2nc3cc(C(=O)O)ccc3[nH]2)sc(=S)n1Cc1ccccc1 53295378 DNFGRSDWZLVVLV-UHFFFAOYSA-N 382.470 4.151 0 1 GIAF CC(C)Cc1nc2c(NCc3cccs3)ncnc2n1CC[C@H]1CCCN1C 82178739 USXHEEGIRLTZAI-MRXNPFEDSA-N 398.580 4.183 0 1 GIAF Cc1ccc(CNc2ncc(C(=O)N3CCCC3)c(-c3ccc(F)cc3)n2)o1 82215032 QRJIZNSCSHODKL-UHFFFAOYSA-N 380.423 4.032 0 1 GIAF O=C(CN1C(=O)C[C@@H](C2c3ccccc3-c3ccccc32)C1=O)c1ccccc1 103278058 JNXFIJHYAUXJGG-NRFANRHFSA-N 381.431 4.057 0 1 GIAF COc1cc2c(cc1O)[C@H](CC(C)=O)N(C)c1c-2ccc2cc3c(cc12)OCO3 238781389 IQHRTYFNMIQPGB-SFHVURJKSA-N 391.423 4.420 0 1 GIAF Fc1cnc(Cl)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 587002703 MPRWPMAUUHPXFF-UHFFFAOYSA-N 394.635 4.105 0 1 GIAF COC(=O)c1cc2nc(-c3ccc(Br)c4cc(C)oc34)[nH]c2cn1 587004685 YPTBMHCAHJBPJL-UHFFFAOYSA-N 386.205 4.229 0 1 GIAF Cc1ccc2nc([C@@H](C)S/C=C3/NC(=O)c4c(sc(C)c4C)N3)[nH]c2n1 587030942 KCZQCPMOEDUZBR-NUBYWOLOSA-N 385.518 4.393 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ncccc3Cl)nc2c1 587064884 IQAAGCMHZAWCSB-UHFFFAOYSA-N 380.629 4.218 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(O)cc4[nH]3)cc2F)c1 587143582 KCFBBDSLTPMMIW-UHFFFAOYSA-N 378.359 4.448 0 1 GIAF CCc1ccc([C@]2(c3ccc(N)cc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 587427439 CUYPILSHBMZCNF-WZONZLPQSA-N 375.424 4.124 0 1 GIAF COc1nc(N2CCCC2)ccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587515173 QSIHNDGOETXGIW-DEOSSOPVSA-N 392.499 4.450 0 1 GIAF Cn1ncc2cc(F)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587567259 COMUOQAOBYKHIM-SIKLNZKXSA-N 390.370 4.121 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)c[nH]c2nccc1-2 587567288 CTIQXPGMMWBTHI-YLJYHZDGSA-N 376.343 4.062 0 1 GIAF COc1ccc(F)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567720 BIGOPBSZBMYILK-KNQAVFIVSA-N 380.371 4.417 0 1 GIAF CCCn1ncc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587583967 XPBQPLUTPKWLKK-KNQAVFIVSA-N 378.428 4.184 0 1 GIAF CC/C=C\CCOC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594787 JBCLHIPVOBWFIV-RAUXZBOGSA-N 382.412 4.012 0 1 GIAF Cc1nc2c(s1)[C@@]1(CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587855900 HFGNEZXWPNGRFA-XYZCENFISA-N 381.314 4.467 0 1 GIAF COc1ccc(-c2ccc(-c3nc4cccc(C(=O)O)c4[nH]3)c(O)c2)cc1OC 587926489 HVPYAHUXSAKHJN-UHFFFAOYSA-N 390.395 4.318 0 1 GIAF COc1ccc(CC2CCN(CC(=O)c3c[nH]c4ccc(O)cc34)CC2)cc1 653687463 OTLDWDPNCQUQHZ-UHFFFAOYSA-N 378.472 4.020 0 1 GIAF O=C(CSc1nnc(-c2n[nH]c3c2CCc2ccccc2-3)o1)c1ccccc1 957856798 OAGGTRLDGUPDHZ-UHFFFAOYSA-N 388.452 4.200 0 1 GIAF Cc1cncc(C)c1[C@@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963168087 FSIWUGQEIAUPDX-GDBMZVCRSA-N 384.785 4.059 0 1 GIAF CCOc1cc2nc(=S)n(CCN3CCC(C)CC3)c(O)c2cc1OCC 253497300 VDYRWCSKYZKBTM-UHFFFAOYSA-N 391.537 4.001 0 3 GIAF CC[C@@H](C)NC(=O)CSc1nc(NCc2ccccc2)c2ccccc2n1 2933001 BNCICMBPRWYMGQ-OAHLLOKOSA-N 380.517 4.249 0 1 GIAF COc1ccc(Cc2c(C(F)(F)F)nn(Cc3cccc(OC)c3)c2O)cc1 28766436 DKQLLPYKHXZLQU-UHFFFAOYSA-N 392.377 4.264 0 1 GIAF O=C(Nc1ccccc1-c1nc(Br)cs1)OCC1CCNCC1 33987647 LVFHWARXPMYWGP-UHFFFAOYSA-N 396.310 4.121 0 1 GIAF O=C(Nc1cc(-c2cc3c(=O)[nH]cnc3[nH]2)ccn1)c1ccc(C2CCCC2)cc1 40380406 IKZVJSKYXNFKKJ-UHFFFAOYSA-N 399.454 4.223 0 1 GIAF COc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCOCC3)cn2)c1 40834683 DTTXZMKBEUKZIH-UHFFFAOYSA-N 383.492 4.114 0 1 GIAF O=C(OCc1ccccc1)[C@H]1COC(c2ccccc2OCc2ccccc2)=N1 49793983 WDINQXXNCSNUOQ-OAQYLSRUSA-N 387.435 4.154 0 1 GIAF NC(=O)c1cccc2[nH]c(-c3ccc(-n4ccc(CN5CCCCC5)c4)cc3)nc12 63540136 LQKJNUZCMGIUPZ-UHFFFAOYSA-N 399.498 4.105 0 1 GIAF C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)OCCC1CCCCC1 82083949 HGIXURPMLNGFSI-CYBMUJFWSA-N 376.478 4.035 0 1 GIAF c1cc(-c2nc(OCc3ccncc3)c3ccncc3n2)cc(-c2ncco2)c1 95572228 NNDCGADZOHFNFL-UHFFFAOYSA-N 381.395 4.321 0 1 GIAF CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(/C=C/c3ccccc3)o2)c1 98174265 YIEXHVPVWYOPCC-MDZDMXLPSA-N 384.457 4.391 0 1 GIAF CC(C)C1CCC(N2CCC(N3C(=O)CC(=O)Nc4ccccc43)CC2)CC1 115712333 VDAURJYHRMRIOH-UHFFFAOYSA-N 383.536 4.041 0 1 GIAF O=C(C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1)c1c[nH]c2ccccc12 146541210 YVHQEHBKEMUROU-UHFFFAOYSA-N 382.847 4.074 0 1 GIAF N#Cc1cccc(-c2cccc(OC[C@H](O)CN3CCc4ccccc4C3)c2)c1 219738547 CGZLPRGFWYBQFV-XMMPIXPASA-N 384.479 4.023 0 1 GIAF O=S(=O)(/C=C/c1nc2cc(Br)c(F)c(F)c2[nH]1)c1ccccc1 586924160 JPOCKFMSDLZALS-VOTSOKGWSA-N 399.216 4.048 0 1 GIAF CCC[C@@H](C)OC(=O)Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989828 REMCJNUDFJIOGL-CYBMUJFWSA-N 375.424 4.426 0 1 GIAF COc1cc(O)c2c(c1)Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990174 APIGFUXSTVIEQP-UHFFFAOYSA-N 381.387 4.437 0 1 GIAF FC(F)(F)Oc1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587039104 CGDXJFFFDITBSW-DZGCQCFKSA-N 379.407 4.408 0 1 GIAF Cc1cc(Cl)ccc1OCCCc1nc2ccc(N3CCN(C)CC3)cc2[nH]1 587065897 CMGGFQZIUSMCEH-UHFFFAOYSA-N 398.938 4.288 0 1 GIAF Cc1csc([C@](O)(Cc2nc3cc(Cl)c(F)cc3[nH]2)C(F)(F)F)n1 587094072 JGWUVZNINUOZLL-CYBMUJFWSA-N 379.766 4.113 0 1 GIAF CCOC(=O)/C(=C\N(C)C)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587104146 NSBYTEXFARXOMV-AQTBWJFISA-N 386.451 4.220 0 1 GIAF Cc1ccnc2[nH]c(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)nc12 587114400 SCZBCCKYBYLEOY-UHFFFAOYSA-N 380.395 4.157 0 1 GIAF COc1cc(OC)c2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc2c1 587200973 CKPNUAFCLNMKEA-UHFFFAOYSA-N 377.485 4.161 0 1 GIAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)C2 587247520 SZEGMBZYWFHCDH-GOSISDBHSA-N 379.357 4.072 0 1 GIAF COc1cc(Br)cc(F)c1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587381277 GFRZIVUXRJHANG-HNNXBMFYSA-N 380.213 4.194 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3cc(OC(C)(C)C(=O)O)ccc31)O2 587398509 DRNDZOQAPUJXQG-HSZRJFAPSA-N 395.455 4.016 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(NC(=O)C4CCC4)c1)[C@@H](C2)C3=O 587431568 HJIPLXSKKIVAKZ-MBSDFSHPSA-N 377.440 4.097 0 1 GIAF C[C@]1(c2c(F)cccc2N2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587506836 PXKXFOKJRNNUQI-XMMPIXPASA-N 395.474 4.422 0 1 GIAF CN1CCc2c(sc(N)c2[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587535042 HPCFEAWGHRZBDG-QFIPXVFZSA-N 382.529 4.078 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)nc1 587548119 SCICKUNQDMUKKF-VQIMIIECSA-N 398.212 4.253 0 1 GIAF CC1(C)[C@@H](CC(=O)O)C[C@H]1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604465 UEXJVWZAIYVCMZ-YGVWJJJNSA-N 396.439 4.250 0 1 GIAF COc1ccc2c(c1)OC=C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612515 VNJFPICBHISKBE-REWPJTCUSA-N 388.375 4.164 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3nc(Cl)ccc32)N1 587706707 RVWSQAWRPYUZGA-XYZCENFISA-N 381.676 4.361 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3nc(Cl)ccc32)N1 587708070 XSNJFZLHEMJZOB-HUTHGQBESA-N 381.676 4.361 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)c(N)c(F)c2)N1 587723912 ZCWYBENUMFTHCL-RBHXEPJQSA-N 385.227 4.246 0 1 GIAF COc1cc2c(cc1F)[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587727482 CVFIKVUZYKYZAG-OVWNDWIMSA-N 394.259 4.460 0 1 GIAF Cc1noc(C2CCC3(CC2)N[C@H](C)Cc2cc(Br)c(F)cc23)n1 587795367 OEIZPUVXZKWGCA-VJIIGADZSA-N 394.288 4.367 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nsnc3c2)N1 587857653 MJPBKMHTGQPFAN-VPTHRUTESA-N 378.270 4.217 0 1 GIAF COc1ccccc1N1CCC(c2ncnc3c2cnn3-c2ccccc2)CC1 653745692 LVVDHQDOHCRLCL-UHFFFAOYSA-N 385.471 4.208 0 1 GIAF Cc1nnc(SCC(=O)c2cccs2)c2nn(-c3ccccc3)c(C)c12 958026454 DQQYHTQTKAMAGF-UHFFFAOYSA-N 380.498 4.469 0 1 GIAF CCCCN(C)c1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(CO)C3)cc1CC2 1857655799 UVLRMYZAKQDNHC-HTAPYJJXSA-N 385.577 4.102 0 1 GIAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCC(=O)N1c1ccccc1Cl 1911575433 HLVHHTPMAHTTGW-INIZCTEOSA-N 397.689 4.459 0 1 GIAF CC1=C[C@H](CN2CCOCC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356711787 ZBKPTGUQCREXBY-BHDDXSALSA-N 395.547 4.466 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)NC[C@H](O)CC 4213405 COALRPBIMWYHQZ-NIKGAXFTSA-N 398.906 4.380 0 1 GIAF CCCc1c(OCc2ccc(OC)c(/C=C/C(=O)O)c2)ccc(C(C)=O)c1O 27893323 DHDBDAXFQOEOSD-YRNVUSSQSA-N 384.428 4.233 0 1 GIAF Fc1ccc2[nH]cc(CCCN[C@H]3COc4ccc5ncccc5c4C3)c2c1 28821545 SUYYHJRBIBNGLJ-QGZVFWFLSA-N 375.447 4.381 0 1 GIAF Cc1c(OS(=O)(=O)c2cccc3ccccc23)cccc1C1CCNCC1 40411143 JJLJCJQBCWNLIV-UHFFFAOYSA-N 381.497 4.383 0 1 GIAF CCCCOc1ccc(NC(=O)Nc2cc(C)nn(-c3ccccc3)c2=O)cc1 43058878 JKMYKPUVEDIOAO-UHFFFAOYSA-N 392.459 4.364 0 1 GIAF CCC(C)(C)C(=O)Nc1cc(C)c(C)c(S(=O)(=O)N2CCCCCC2)c1 45374528 BOFBXHXQNKHAHR-UHFFFAOYSA-N 380.554 4.243 0 1 GIAF CC[C@H]([C@H](C)O)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72100926 PMNPDZIPKKSQML-USCONSEESA-N 387.955 4.038 0 1 GIAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H](CO)C3)co2)cc1 82069325 DVSIHYGWMYOKNN-QGZVFWFLSA-N 386.492 4.145 0 1 GIAF O=C(c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1)N1CCCC1 82133079 ZMRTWAJYATZUOY-UHFFFAOYSA-N 390.462 4.173 0 1 GIAF Fc1ccc(-c2nc(N3CCOCC3)ncc2-c2nc3ccccc3s2)cc1 82164513 GCWILDNDYGJBKB-UHFFFAOYSA-N 392.459 4.396 0 1 GIAF COCCn1c(CC(C)(C)C)nc2c(NCCCc3ccccc3)ncnc21 82180085 KHLDIEUBSPHGDV-UHFFFAOYSA-N 381.524 4.106 0 1 GIAF Cc1cc(F)ccc1-c1nc(-c2ccc3[nH]c(=O)n(CCN(C)C)c3c2)cs1 150104862 OMSJHPKBAGBTKA-UHFFFAOYSA-N 396.491 4.129 0 1 GIAF CCOC(=O)OC[C@@H]1O[C@H](c2ccccc2)C=C[C@H]1Oc1cccc(N(C)C)c1 253977228 BJQHPHLOVQMVEG-BDTNDASRSA-N 397.471 4.369 0 1 GIAF O=C1C[C@@H](Sc2ccc(C(F)(F)F)cc2)N1C(=O)NCc1ccccc1 299864058 LTJBZJNEBVNAKB-MRXNPFEDSA-N 380.391 4.266 0 1 GIAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)NC[C@@H](O)CC 299882590 QAJHKACOFFCVDL-MJXNMMHHSA-N 398.906 4.380 0 1 GIAF COc1cccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c12 586958693 HJQHOOFKBCRKEJ-QHCPKHFHSA-N 393.306 4.074 0 1 GIAF Nc1cc2nc(COc3ccc4ccccc4c3Br)[nH]c2cc1N 586999811 CBHOKWJFVXIVHD-UHFFFAOYSA-N 383.249 4.222 0 1 GIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2nc(Cl)c[nH]c-2n1 587033891 JZCZXPGBFWMNCR-NSHDSACASA-N 385.880 4.444 0 1 GIAF CN1CCN(c2ccc3nc(-c4cc(-n5cccc5)ccc4Cl)[nH]c3c2)CC1 587052779 MJRNWAGYRAQJCS-UHFFFAOYSA-N 391.906 4.426 0 1 GIAF Nc1ccc(-c2ccc3[nH]c(C(=O)Cc4ccc(Cl)cc4)nc3c2)cc1N 587072292 QLPYXCXLOAWKAW-UHFFFAOYSA-N 376.847 4.473 0 1 GIAF Fc1cc(F)c2[nH]c(CCn3cc(Br)c(C(F)(F)F)n3)nc2c1 587117534 FHPHNZDYAPMDCH-UHFFFAOYSA-N 395.129 4.062 0 1 GIAF O=C1CCc2cc3nc(/C=C\c4c(F)c(F)c(F)c(F)c4F)[nH]c3cc2N1 587133975 GVYLDMRCWMXRIH-IHWYPQMZSA-N 379.288 4.314 0 1 GIAF Fc1ccc(/C=C/c2nc3cc(I)cnc3[nH]2)c(F)c1 587150715 TXFKSDJUQUBGDJ-DUXPYHPUSA-N 383.139 4.011 0 1 GIAF COC(=O)c1cc2[nH]c(-c3cccc(Nc4ccc(O)cc4)c3)nc2cc1OC 587241766 ALYPWCAYTVZARL-UHFFFAOYSA-N 389.411 4.474 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCC(=O)OC(C)(C)C)cc1)O2 587398107 BQQCIWPEFXBKFZ-IBGZPJMESA-N 383.444 4.004 0 1 GIAF COc1cc2c3c(c1)O[C@](CCCCC(=O)O)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428825 QNHRVOBPAHPKTG-HTAPYJJXSA-N 384.403 4.122 0 1 GIAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(c2ncc3c(Cl)nccn23)C1 587463364 YAWFUCHZATXKPA-UHFFFAOYSA-N 397.862 4.322 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(CC(=O)Nc1ccc(F)c(F)c1)CC2=O 587466741 NTJDQAXYGAACFS-NRFANRHFSA-N 389.398 4.376 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cn1ccnc1)c1ccccc1 587576312 IOSDMBHQPGTWON-QPPBQGQZSA-N 398.418 4.146 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cncnc1 587586656 LBFFJRJBDHERJW-QPPBQGQZSA-N 396.402 4.088 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]([C@@H]1CCOC1)C2 587617456 PRUIAHHEQYQCJJ-YTSUXIDCSA-N 380.440 4.319 0 1 GIAF COc1ccc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587721450 VUAGMXPXGQCSHW-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF COc1cccc(OC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587802205 PZWADSMUUIHZLD-ADLMAVQZSA-N 380.257 4.251 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(C(=O)O)C3(C)C)N1 587827605 LDHXACJSJXZDFV-DBCMIRFJSA-N 396.300 4.229 0 1 GIAF CCC(=O)OC1=C(C)OC=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587829313 BSOVINHHNQFVET-MGNBDDOMSA-N 396.256 4.046 0 1 GIAF COc1ccc(-c2ccc(-c3nc4c(Cl)ncnc4[nH]3)c(O)c2)cc1OC 587925604 BKHPJKOVKNVYGV-UHFFFAOYSA-N 382.807 4.063 0 1 GIAF Cc1ccnc2c1CCN[C@]2(C)c1ccc2c(c1)CCN(C(=O)OC(C)(C)C)C2 963070629 PAYOEVAVNBPOKP-XMMPIXPASA-N 393.531 4.092 0 1 GIAF CN1CCc2c(Br)cccc2[C@@]12CCOc1cc(F)cc(F)c12 963279302 GPBQCUYFPVNPEV-GOSISDBHSA-N 380.232 4.241 0 1 GIAF CC[C@@H]1C(=O)C[C@@H]2[C@@H]3CC[C@H](CC(=O)OC)[C@](C)(CC(=O)OC)[C@@H]3CC[C@]12C 2356393774 SIZQRHSXXDKFNH-SHLAUYFASA-N 392.536 4.177 0 1 GIAF CC(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)CC(C)C)[C@H]2[C@](O)(C(C)C)CC[C@]21C 2356595136 UUULDBUYLVXHTP-QRKBLAFPSA-N 380.525 4.029 0 1 GIAF CC[C@H](CO)Oc1cc(NC(=O)c2ccccc2F)c2ncn(C(C)C)c2c1 61949056 QEVWSYHXOACUCN-CQSZACIVSA-N 385.439 4.158 0 3 GIAF COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2cccnc2)cc1 1017602 GKIVWTAPJKDEQG-UHFFFAOYSA-N 381.819 4.248 0 1 GIAF Cc1ccc2c(c1)[C@H](c1ccc(F)cc1)N(C(=O)Cc1ccccc1)CC(=O)N2 2724150 SPNPTMKYTZBVOZ-DEOSSOPVSA-N 388.442 4.247 0 1 GIAF COc1cc2c(cc1-c1coc3c4c(ccc3c1=O)OC(C)(C)CC4)OCO2 3197600 CMRKWZWNFFFDOQ-UHFFFAOYSA-N 380.396 4.301 0 1 GIAF biogenic O=C(C[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21)Nc1ccccc1 13455350 OYIWRENTXLJIPF-MEBBXXQBSA-N 379.243 4.375 0 1 GIAF CN(C)Cc1ccccc1Sc1ccc(I)cc1N 13472752 KPKLDBBNSFWOFA-UHFFFAOYSA-N 384.286 4.086 0 1 GIAF CCSc1ccnc(C[S@@](=O)c2nc3ccccc3n2CSC)c1C 13820826 NJDNYXISRUWZSD-VWLOTQADSA-N 391.587 4.480 0 1 GIAF CCN(CC)CCCNc1ncc2cc(-c3c(C)cccc3C)c(N)nc2n1 13862905 MAHHICHAEAGUTG-UHFFFAOYSA-N 378.524 4.035 0 1 GIAF c1ccc2c(CCN3CCC[C@@H](c4ccnc(NCC5CC5)n4)C3)c[nH]c2c1 40403841 DRZMEJAAZMHAGA-LJQANCHMSA-N 375.520 4.202 0 1 GIAF in-vitro O=c1c2ccccc2cc2n1Cc1c-2nc2ccccc2c1CCCn1ccnc1 40933301 ANFXKTOIFWLJQP-UHFFFAOYSA-N 392.462 4.408 0 1 GIAF CCCNC(=O)c1ccnc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1 45192979 HDOXXBHOBKJFAD-UHFFFAOYSA-N 385.511 4.145 0 1 GIAF O=C1CCc2c(cccc2NC(=O)CN(Cc2ccccc2)Cc2ccccc2)N1 84729832 MOQDCQAKNZTJDI-UHFFFAOYSA-N 399.494 4.212 0 1 GIAF COc1cc([C@H]2CC(c3ccccc3)=Cc3n[nH]c(O)c32)cc(OC)c1OC 103182700 DHLAVAADLFCNCZ-MRXNPFEDSA-N 378.428 4.217 0 1 GIAF Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3nc(C)ccc23)c(C)c1 166236334 KMTXECNIIFSCRN-SFHVURJKSA-N 397.544 4.247 0 1 GIAF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)cc1 169723991 OQNMQRQHEXQGMT-WBVHZDCISA-N 377.868 4.303 0 1 GIAF Oc1ccc(C2(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CCOCC2)cc1 586913691 SWVTYFHRLAKCFO-UHFFFAOYSA-N 378.350 4.264 0 1 GIAF FC(F)(F)[C@](F)(Cl)c1nc2cccc(I)c2[nH]1 587089367 BWRKUOQTJFJJHE-QMMMGPOBSA-N 378.494 4.091 0 1 GIAF C[C@]1(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172884 OOASSWYDWXJYNR-QGZVFWFLSA-N 382.288 4.488 0 1 GIAF Cc1c(Br)ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174859 MVNOEYFVACYSNT-CQSZACIVSA-N 387.256 4.497 0 1 GIAF CN(C)c1ncccc1-c1nc2c(C(F)(F)F)c(Br)ccc2[nH]1 587196506 YFMDEYURKQTVBZ-UHFFFAOYSA-N 385.187 4.472 0 1 GIAF COc1ccc(NC(C)(C)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 587201178 IXJHQWNMGTXDDO-UHFFFAOYSA-N 385.777 4.333 0 1 GIAF CC(=O)C12CC([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)(C1)C2 587354025 MIWHJZDWVLVXOO-FEZPLFSRSA-N 380.415 4.408 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1nccn1C)CC2=O 587471827 VXZIJMMYXAORRR-HSZRJFAPSA-N 376.456 4.296 0 1 GIAF COc1cccc2c1C[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599354 FPIVMXXJAWDQIQ-XUZZJYLKSA-N 388.419 4.290 0 1 GIAF C[C@]12CC(=O)C[C@@]1(C)C[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600900 BWQKPZMEIVXVLJ-XSEFMFLKSA-N 378.424 4.262 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccccc2Cl)N1 587692602 BKYDKRWCGATNSR-XYZCENFISA-N 398.659 4.104 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(CN(C)C)c2)N1 587740368 JQLZKAUSKWYEJO-BLVKFPJESA-N 377.301 4.273 0 1 GIAF COC(=O)c1cccc2c1c([C@@H]1c3cc(OC)ccc3CCN1C(C)C)cn2C 962089486 JVQJPBCOOYAJDJ-QHCPKHFHSA-N 392.499 4.329 0 1 GIAF CC1=C(CC(=O)NCCN2CCCC2)c2cc(F)ccc2/C1=C\c1ccncc1 1772608025 ZGYPJWYEJOYJKE-STZFKDTASA-N 391.490 4.151 0 1 GIAF CC(=O)OC=CC(=COC(C)=O)[C@@H](CC=C(C)C=CC=C(C)C)OC(C)=O 2356630741 BQBCCTYBKVNOPS-OAQYLSRUSA-N 376.449 4.301 0 1 GIAF COc1cc(O)c2c(c1Cc1ccccc1O)O[C@@H](c1ccccc1)CC2=O 13327547 YPZIHZGUQNBTAR-HXUWFJFHSA-N 376.408 4.404 0 1 GIAF biogenic Cc1cccc2c1C[C@H](C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2 13731539 VNRNPNJJEINOAI-JOCHJYFZSA-N 385.463 4.165 0 1 GIAF Cc1c(C(=O)c2ccc3ccccc3n2)c2ccccc2n1CCN1CCOCC1 13742591 MWUYFVCJRYKYGW-UHFFFAOYSA-N 399.494 4.061 0 1 GIAF Cc1c(C(=O)c2ccc3occc3c2)c2ccccc2n1CCN1CCOCC1 13742602 XBSGXJBQLLJTNJ-UHFFFAOYSA-N 388.467 4.259 0 1 GIAF CCCNc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1Cl 28644942 NSYPIOYBYPGPKP-UHFFFAOYSA-N 378.867 4.412 0 1 GIAF Cn1c(CN2C[C@@H]3C(COc4ccc(Cl)cc4F)[C@@H]3C2)nc2ccccc21 40916383 COZAYWMOVJHAOV-XYPWUTKMSA-N 385.870 4.123 0 1 GIAF O=C(O)c1cc(-c2cccc(-c3cccc(-c4cc(C(=O)O)no4)c3)c2)on1 43018570 OXTNPXBJMPHWMR-UHFFFAOYSA-N 376.324 4.060 0 1 GIAF O=C(O)CC[C@]1(c2ccncc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 49013840 JIXUFNPVCLBVDU-HXUWFJFHSA-N 387.867 4.166 0 1 GIAF NCCCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 49055704 CUOZNADPDYAGTE-NRFANRHFSA-N 377.536 4.357 0 1 GIAF CC(=O)Nc1cccc(Oc2cncc(NC[C@]3(C)C[C@@H](O)CC(C)(C)C3)n2)c1 82068886 LQLVJCXEJNOANE-HTAPYJJXSA-N 398.507 4.217 0 1 GIAF CCCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc(C)c1 82145174 IOCTZOJGEHPSSQ-UHFFFAOYSA-N 378.476 4.495 0 1 GIAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCC2)nc1-c1ccccc1F 82150736 FSIDJOFCUKTZSW-DNVCBOLYSA-N 382.483 4.191 0 1 GIAF Cc1ccc(CNc2ncc(C(=O)N3CCCC3)c(-c3ccccc3F)n2)o1 82151496 LEONEBAJGGDNPJ-UHFFFAOYSA-N 380.423 4.032 0 1 GIAF COc1ccc(-c2cc(NCc3cc(F)cc(F)c3)ncn2)c(OC)c1OC 82160210 QVAFRCHHINKSEE-UHFFFAOYSA-N 387.386 4.060 0 1 GIAF NCC1(CC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CCCCC1 84730785 UGCNDQUHXHHYLN-UHFFFAOYSA-N 387.427 4.433 0 1 GIAF Nc1c2c(nc3c1[C@@H](c1ccncc1)c1c(c4ccccc4oc1=O)O3)CCCC2 96284154 JTSNOIBVMLQPFN-GOSISDBHSA-N 397.434 4.330 0 1 GIAF CN1[C@H]2CC[C@H]1CC(OC(=O)COC1c3ccccc3CCc3ccccc31)C2 101631215 ZLBYCENAJCLADM-PMACEKPBSA-N 391.511 4.060 0 1 GIAF O=C(c1ccccc1F)N1CCC(F)(F)[C@H](Oc2ccc3ccccc3n2)C1 146045532 WTJOAMGQUVUPEB-GOSISDBHSA-N 386.373 4.303 0 1 GIAF COC(=O)c1ccc(NC(=O)c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1 164785554 AQFAYBVHJMBKQF-UHFFFAOYSA-N 389.386 4.408 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4C=C(O)[C@@H]5C[C@@H]5[C@]4(C)[C@@H]3CC[C@]12C 169323153 LNBRDPIYZGBLLR-PXOLTBMLSA-N 384.564 4.466 0 1 GIAF Cc1ccc([C@@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2CC2CCCCC2)cc1 169365877 QFKTVSIMNBHXAU-HJOGWXRNSA-N 394.563 4.393 0 1 GIAF CCOC(=O)c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586987463 BFTCKCHAQBFLEV-UHFFFAOYSA-N 396.402 4.391 0 1 GIAF Oc1ccccc1-c1cc(-c2nc3cnnc(O)c3[nH]2)c2cccc(Cl)c2n1 587083023 ZGFDIGTZIFRPHM-UHFFFAOYSA-N 389.802 4.300 0 1 GIAF CSc1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2c1 587120147 UDBZSUHXRDKTJT-UHFFFAOYSA-N 379.367 4.203 0 1 GIAF COC(=O)c1ccnc2[nH]c([C@H](Nc3ccccc3)c3ccccc3F)nc12 587148679 DDKCVTCUYNWACI-QGZVFWFLSA-N 376.391 4.085 0 1 GIAF Clc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cn1 587184364 RIGBHGUYWZAPEP-PLNGDYQASA-N 381.604 4.386 0 1 GIAF CC(=O)N[C@H](Cc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(C)cc1 587207048 QEZMBGHWPMNBFA-OAHLLOKOSA-N 390.256 4.193 0 1 GIAF COc1cc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2cc1C 587259003 VRWNRANJBYKSJG-SFHVURJKSA-N 388.471 4.452 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(-c3ccccn3)c1C)CC2=O 587475011 JXUIYAZYOPQCBP-LJQANCHMSA-N 377.444 4.249 0 1 GIAF C=CN1CCCC[C@H]([C@@]2(C3CC3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587475891 QRHHQSOOEJHBTK-MBSDFSHPSA-N 383.488 4.231 0 1 GIAF O=C1C[C@@](CC2OCCO2)(c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587505907 QTPMQLMLHHSYHF-HSZRJFAPSA-N 382.431 4.328 0 1 GIAF O=C(O)c1cc(Cl)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587549613 RWVVGYVIYWGVRU-YLJYHZDGSA-N 396.782 4.447 0 1 GIAF COc1cccc(F)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559669 YQBBKBAPGCOXFS-KNQAVFIVSA-N 380.371 4.417 0 1 GIAF O=C(O)CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609882 DYKKQFVWTJJLCL-WIYYLYMNSA-N 396.420 4.176 0 1 GIAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)N(C)c1ccccc1 587623590 XDBUVYBZVRTNRJ-UHFFFAOYSA-N 383.249 4.392 0 1 GIAF COc1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587655648 CJJPNLFIKPWWPS-UHFFFAOYSA-N 392.361 4.039 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]ccc2Br)N1 587680737 QAZKHSZZLFWLGR-NXSYQRQQSA-N 388.078 4.302 0 1 GIAF COc1ccnc(Cl)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587707190 UOJKJRRBVPCFCR-VXJOIVPMSA-N 385.664 4.269 0 1 GIAF Cc1c(C(F)(F)F)n[nH]c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587718558 IWQRBIDKQLOTDX-CAAJLBCPSA-N 392.194 4.262 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)nc2)N1 587764546 FSKJSQCLNOXKIF-HXPMCKFVSA-N 390.300 4.207 0 1 GIAF C=C1C=C(C)n2ncc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2N1 587795530 PAEIVZDVWLUIER-BMLIUANNSA-N 389.272 4.208 0 1 GIAF CCOC(=O)[C@@]1(C2CCCCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800417 WXLAQFFUEBEKBN-BUXKBTBVSA-N 398.316 4.461 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587819579 BFTCQPQQBTXCEJ-ILNAQNTFSA-N 382.317 4.135 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(/C=C/C(=O)O)cc2)N1 587825252 CBOZVKYSGXHPHD-HBBNZFFBSA-N 390.252 4.310 0 1 GIAF CC(=O)Nc1ccsc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587843202 HFHNLMCQKCMKKG-VXJOIVPMSA-N 383.286 4.232 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(F)cc1Cl 587868002 GZWTZQUQISRRHS-UHFFFAOYSA-N 399.731 4.454 0 1 GIAF N=c1[nH]c(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(-c2cccc(F)c2)s1 587872998 AIUBBQORLFQTAL-UHFFFAOYSA-N 396.378 4.159 0 1 GIAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(N(C)C)cc1 618005061 IWQVVQXQGSZHHO-HNNXBMFYSA-N 382.489 4.184 0 1 GIAF C[C@@H]1Cc2ccc(Cl)cc2[C@]12N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962730163 MCXWALPNURFVSS-JPJOULJCSA-N 379.809 4.422 0 1 GIAF Nc1ccc2c(c1)[C@]1(NCCc3ccc(O)cc31)c1cc(Br)ccc1-2 963327917 BHVFFPNDYIGGHW-OAQYLSRUSA-N 393.284 4.155 0 1 GIAF Fc1ccc(-c2cnc3nnc(C(F)(F)c4ccc5cccnc5c4)n3n2)cc1 1772582579 UVKFBYOTEJFDJX-UHFFFAOYSA-N 392.344 4.014 0 1 GIAF CC(C)n1cnc2c(NCc3cccc(C(F)(F)F)c3)[nH]c(=NC3CC3)nc21 1857584518 PDBLDNOSLSLDIQ-UHFFFAOYSA-N 390.413 4.034 0 1 GIAF OCc1ccc(-c2cn3c(-c4cccc(OC(F)(F)F)c4)cnc3cn2)cc1 1857586601 DINOYSPNDNIUOC-UHFFFAOYSA-N 385.345 4.454 0 1 GIAF CCCC(=O)N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2cncc(Cl)c12 1857607416 KPYKFZHOYQUJMB-UHFFFAOYSA-N 396.800 4.312 0 1 GIAF CC[C@H](Nc1nc(-c2c[nH]c3ncc(F)cc23)cn(C)c1=O)c1ccccc1 1857621753 WANJFSCKXWECBQ-KRWDZBQOSA-N 377.423 4.026 0 1 GIAF COc1cc(C(=O)c2cnc(-c3c[nH]c4cccc(C)c34)[nH]2)cc2c1OC=CO2 1857636186 HTOSHHUVUWWOTA-UHFFFAOYSA-N 387.395 4.348 0 1 GIAF C[C@H](C(=O)Nc1ccc2c(c1)COC2=O)c1cccc(C(=O)c2ccccc2)c1 1857760008 MWHVUODAEUJARX-HNNXBMFYSA-N 385.419 4.330 0 1 GIAF CCC[C@@H]1c2cc[nH]c2C=C[C@H]1C(=O)CC(=O)CCc1ccc(O)c(OC)c1 2356293012 YYXNFYUGKRNIIF-IEBWSBKVSA-N 381.472 4.417 0 1 GIAF COc1ccc(NC(=O)[C@@H](c2ccccn2)N(C(C)=O)c2ccc(C)cc2)cc1 4903325 IQBPUQKGIAYMCZ-JOCHJYFZSA-N 389.455 4.132 0 3 GIAF O=C(CN1C(=O)C[C@H](c2ccccc2)Sc2ccccc21)N1CCCCC1 5052786 ZZLITXAKUUHWBP-HXUWFJFHSA-N 380.513 4.269 0 1 GIAF O=C(NCCCN1CCC(Cc2ccc(F)cc2)CC1)NCCc1ccccc1 13443479 VKPCYODWIYLFDI-UHFFFAOYSA-N 397.538 4.012 0 1 GIAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1C[C@H]1c1ccccc1 13679937 KEBJTPRYSCTYBB-GOTSBHOMSA-N 388.555 4.276 0 1 GIAF CCOC(=O)c1c(C)[nH]c2ccc3c(c12)CN1CCc2cc(C)ccc2[C@H]1O3 26146783 WZEWMBNWOJJFNU-JOCHJYFZSA-N 376.456 4.411 0 1 GIAF C[C@@](O)(c1ccc(S(=O)(=O)c2ccccc2C(F)(F)F)cc1)C(F)(F)F 64559279 OPECELRZYKHDRT-CQSZACIVSA-N 398.324 4.308 0 1 GIAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccccc1F 82150697 KOIAUGNTVOQHCH-AUUYWEPGSA-N 382.483 4.413 0 1 GIAF CN1CCC[C@H]1CCn1c(C2CCCCC2)nc2c(NCC3CC3)ncnc21 82181354 BXCKEAHIGPCKCO-SFHVURJKSA-N 382.556 4.180 0 1 GIAF CC(C)Oc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 95557264 LJJJUAVUPNMRIJ-PMACEKPBSA-N 375.472 4.088 0 1 GIAF CN1CCN(c2cccc(OC(=O)NCCCCCCc3ccccc3)c2)CC1 95582596 UEIWJSCSORHTEB-UHFFFAOYSA-N 395.547 4.330 0 1 GIAF CCCc1sc(-c2cc(F)cc(F)c2)nc1CSc1nc(N)cc(N)n1 96283879 PUAKSLNEMOBIAN-UHFFFAOYSA-N 393.488 4.288 0 1 GIAF COc1cnc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)cc1F 146231839 VYZQJQZLBIQWTL-UHFFFAOYSA-N 395.413 4.151 0 1 GIAF Cc1nsc(-c2c(NC(=O)C3=C(C(=O)O)CCC3)sc(C3CC3)c2C)n1 146998839 PPVLCUXVOGWJMY-UHFFFAOYSA-N 389.502 4.264 0 1 GIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]43C)[C@@H]1CC[C@@H]2[C@@H](C)O 299847820 GMLYBWDTQYGRCD-AXTQMLRVSA-N 376.537 4.138 0 1 GIAF Cc1cncc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586967171 YPQCPELTGPDXJM-UHFFFAOYSA-N 376.489 4.076 0 1 GIAF N[C@H](Cc1cscn1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587029997 XSHNKTOBECQODT-SECBINFHSA-N 391.216 4.043 0 1 GIAF CCc1cc(OCc2nc3ccc(S(=O)(=O)CC)cc3[nH]2)ccc1Cl 587052666 HCUFUWYPVXCUTP-UHFFFAOYSA-N 378.881 4.151 0 1 GIAF COc1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cc1C 587204629 YFQWPXZIWPLKMG-UHFFFAOYSA-N 380.448 4.397 0 1 GIAF COc1cnccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339634 QUTFVJWDANDQIC-RBBKRZOGSA-N 379.387 4.209 0 1 GIAF CCc1ccc([C@]2(CCCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587447788 VIHJSSJSBVCGIZ-JPYJTQIMSA-N 380.440 4.155 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](Cc1c(Cl)nc(C)nc1Cl)CC2=O 587462765 SLXOQISQLKWNTC-SNVBAGLBSA-N 381.259 4.326 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)CC2=O 587482129 ZEXPZTWPNLPCDJ-AUUYWEPGSA-N 389.492 4.326 0 1 GIAF Cn1c(Cl)nc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554337 XATRTYAGMQAENA-MLGOLLRUSA-N 391.210 4.135 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CCC(=O)O)cc2)N1 587829692 SGKONODNWFHHDW-NSPYISDASA-N 392.268 4.229 0 1 GIAF CCOC(=O)c1cc(C)n(C[C@H](c2cccc(Br)c2)N(C)C)c1C 587938979 GACWJIHXLZZRNE-GOSISDBHSA-N 393.325 4.347 0 1 GIAF O=C1c2ccccc2Nc2ccccc2N1Cc1cn(Cc2ccccc2)nn1 653807546 MKCYQHHEJKSONF-UHFFFAOYSA-N 381.439 4.230 0 1 GIAF CCCCOc1ccc2cc(-c3noc([C@@H]4CCCN4C(=N)N)n3)ccc2c1 653857930 GQUZLIHRTAGSGL-SFHVURJKSA-N 379.464 4.099 0 1 GIAF COc1cc2c(cc1OC)[C@@]1(CCCc3c1ccc(OC)c3OC)N(C)[C@H](C)C2 962640797 RWWKNTDBVDOQSH-MYYSRTQBSA-N 397.515 4.177 0 1 GIAF C[C@H]1CCCCN1C[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962960454 UUJPIYGPFHGVEZ-JXFKEZNVSA-N 396.497 4.446 0 1 GIAF Cn1cc(Br)cc1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962995141 FCMPXKKQTTVFCF-SFHVURJKSA-N 388.334 4.392 0 1 GIAF CCOC(=O)[C@]1(c2ccc(C)s2)c2cccc(Br)c2CCN1C 963271456 UFSDDLNZUMFLOS-GOSISDBHSA-N 394.334 4.114 0 1 GIAF CC[C@@]12C=C(COC(=S)NC)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 1911585322 CCPUIFJVAYRRAS-IRLDBZIGSA-N 381.545 4.106 0 1 GIAF COCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccc(F)cc1Cl 2483229 PZQYSQWBMPAOER-UHFFFAOYSA-N 392.789 4.316 0 1 GIAF COc1ccc(CN[C@H]2CC3(CCCCC3)Oc3ccc(C(N)=O)cc32)cc1 2492518 KKUDLILTHUOJKT-FQEVSTJZSA-N 380.488 4.110 0 1 GIAF Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H](C)/C(F)=C/CCCc1ccccc1 13448020 GCMXFAGNVBGNHO-NGIQNLAISA-N 398.522 4.260 0 1 GIAF Nc1ccccc1C(=O)CCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CCS3 13488008 RGBZBUUBQUSTAD-UYAOXDASSA-N 393.556 4.016 0 1 GIAF CN(C)c1ccc(-c2cc(F)c(NC(=O)C3=C(C(=O)O)CCC3)c(F)c2)cc1 13534083 SLMBDHDIKFADEW-UHFFFAOYSA-N 386.398 4.201 0 1 GIAF O=C(O[C@@H]1CC[C@H](/C=C/CCO)C[C@H]1OC(=O)c1ccccc1)c1ccccc1 26143702 HKTNCUKGCAGDLN-QXDBMBIBSA-N 394.467 4.176 0 1 GIAF CC[C@@H](C)n1c(=O)n(C)c(=O)c2cn(CC3=Cc4cccc5cccc3c45)cc21 26575578 SWLPMCVNWPSPIY-OAHLLOKOSA-N 385.467 4.180 0 1 GIAF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1C1CCCC1 27873766 VLYLQYUPODEFLY-UHFFFAOYSA-N 388.450 4.316 0 1 GIAF CO[C@H](Cc1scnc1C(=O)Nc1nccs1)c1ccc(Cl)cc1 28463327 KJQIFQRGDDYBLM-GFCCVEGCSA-N 379.894 4.436 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2cnc3cccc(-c4ccncc4)c3c2)cc1 28957621 WAUUHYFQLCYUDP-UHFFFAOYSA-N 375.453 4.335 0 1 GIAF CN(CCOc1ccc(-c2ccccc2)cc1Cc1cccs1)CC(=O)O 28958312 XRYCGDZEUQLYTO-UHFFFAOYSA-N 381.497 4.401 0 1 GIAF Nc1ncnc2c1N=C(c1ccc3c(c1)OCO3)C[C@@H](c1ccc(Cl)cc1)N2 40421556 RPLUJBSVCSJQCG-AWEZNQCLSA-N 393.834 4.119 0 1 GIAF CC[C@@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 82140902 WOELPXYAWAVPSG-OWCLPIDISA-N 384.499 4.293 0 1 GIAF CC[C@H](C)NC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1ccccc1F 82152395 XGYINBIAAPHYTB-ZDUSSCGKSA-N 382.439 4.325 0 1 GIAF COc1cc2ncc(C(=O)O)c(Nc3ccc(F)c(Cl)c3)c2cc1OC 82156292 AAVGHUCVRHUVEM-UHFFFAOYSA-N 376.771 4.486 0 1 GIAF COc1ccc(Cn2cc(C(=O)NC3CCCCC3)c(=O)c3ccccc32)cc1 95563734 OYASZMONHSVVKJ-UHFFFAOYSA-N 390.483 4.121 0 1 GIAF CCc1cc(C(F)(F)F)cc(OC)c1C(=O)C[C@H]1COCC[C@@H]1N1CCCC1 96172020 ZCFUSELHMJIJDC-RDJZCZTQSA-N 399.453 4.350 0 1 GIAF CC(C)COC(=O)c1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl 98083579 DZUQGXUHCSSMFW-UHFFFAOYSA-N 379.815 4.036 0 1 GIAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(=O)O)cn3)c2F)cn1 224545695 RXYUMKVDPJZAAU-UHFFFAOYSA-N 380.379 4.018 0 1 GIAF CO[C@H]1C[C@H](CC[C@@]2(C)[C@H](C)[C@H](O)C[C@@]3(C)C(COC(C)=O)=CCC[C@@H]32)CO1 238774942 ZDDVYTWRCWFGSQ-FLZAHWFGSA-N 394.552 4.088 0 1 GIAF biogenic Cc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1N1CC[C@H](N2CCC[C@@H]2C)C1 261071579 AEONKHQDKWWIPC-YOWRRBNZSA-N 381.564 4.433 0 1 GIAF CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]43C)[C@@H]1CC[C@@H]2C(C)=O 299850687 WULADFNJWJZNOF-SRPBFEPFSA-N 376.537 4.138 0 1 GIAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(C)c(Cl)cc3[nH]2)c1 586930122 FWFTWZOZYZLEBT-UHFFFAOYSA-N 377.897 4.222 0 1 GIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Cl)cc(F)c2[nH]1 586973021 MFLWEDVYMOXESZ-MRXNPFEDSA-N 377.872 4.466 0 1 GIAF Cc1ncc(-c2nc3ccnc(Br)c3[nH]2)c(C)c1Br 586979341 XBNKIESTJZBEKA-UHFFFAOYSA-N 382.059 4.162 0 1 GIAF COc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 586999779 CMMMUELNQGWYEN-AWEZNQCLSA-N 385.265 4.058 0 1 GIAF O[C@H](c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)c1ccccc1Cl 587058376 FNIQUGKPSMIZGQ-LBPRGKRZSA-N 377.700 4.347 0 1 GIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(F)cc(F)c2[nH]1 587198406 IVIQZYFVZOZCAH-UHFFFAOYSA-N 378.382 4.367 0 1 GIAF O=C(Cc1ccccc1)NCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587228568 OHINAQQFWUDBMC-UHFFFAOYSA-N 381.785 4.137 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](/C=C\N(C)C)(c1ccc(OC(F)F)cc1)O2 587382929 PUZHNJJDMHYHQV-HEDKFQSOSA-N 388.414 4.115 0 1 GIAF COC(=O)C[C@]1(c2cccc3ccccc23)CC(=O)c2cc(C)cc(N)c2O1 587397845 BVRCPIHNTJENEK-QHCPKHFHSA-N 375.424 4.154 0 1 GIAF COc1ccc(OCc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 587407241 BEZXYVUTCDIFQI-OAQYLSRUSA-N 379.412 4.464 0 1 GIAF CCN1CCC[C@@H]1Cn1c(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587429351 BGXOUEJJKNCVHO-PWAGRJGVSA-N 394.515 4.087 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)ccc1-n1cccn1)CC2=O 587475112 JIOAAHUNDKSHPK-OAQYLSRUSA-N 378.428 4.246 0 1 GIAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587531267 JZQCOLHDBGBRCN-QHCPKHFHSA-N 376.408 4.095 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)o1 587546558 WQRBDLDZSSBHKO-QAPCUYQASA-N 387.185 4.451 0 1 GIAF COc1ccnc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587552336 QHCRXKMYSUGHNI-VQIMIIECSA-N 383.787 4.152 0 1 GIAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(OC)cc1F 587624367 IDFCAZBVWMRDPE-UHFFFAOYSA-N 375.783 4.295 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-n3ccnc3)cs2)N1 587849792 VMVZYCKSPVJWKH-DYZYQPBXSA-N 392.297 4.459 0 1 GIAF CCN(c1ccc(-c2csc(-c3ccc4nc[nH]c4c3)n2)cc1)S(C)(=O)=O 587922952 ITOUKMFRFAOHRB-UHFFFAOYSA-N 398.513 4.139 0 1 GIAF CN1C(=O)C[C@H]2CN[C@H](c3cc(Cl)ccc3Br)c3cccc1c32 963031883 OXOKTEUTMUEZCR-YPMLDQLKSA-N 391.696 4.245 0 1 GIAF CN(C)c1cccc([C@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1 963181272 MQYMKIQAACWIQO-DLBZAZTESA-N 398.812 4.113 0 1 GIAF COc1cc2c(cc1OC1CCCC1)[C@@H](c1ccccc1)N1C(=O)OC[C@@H]1C2 1772572170 QPSQHFUIJYGQQB-HTAPYJJXSA-N 379.456 4.483 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OCCCF)ccc3C2)cc1 1772585239 NZPOOMMHJGLAJY-KRWDZBQOSA-N 384.495 4.180 0 1 GIAF C=C1OC(=O)C=C1Cc1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 1772628877 NCXZDLBYZLPFES-UHFFFAOYSA-N 387.357 4.426 0 1 GIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(SC(F)(F)F)c2cn1)c1ccccc1 1772654912 JDBQFUDYUWGGJT-SECBINFHSA-N 381.383 4.453 0 1 GIAF COc1ccc(-c2cccc(C(=O)c3cc(OC)c(OC)c(OC)c3)n2)cc1 1857620667 BQBTXVIAJFVPQA-UHFFFAOYSA-N 379.412 4.014 0 1 GIAF Cc1cc(Br)c2c(c1)C(=O)N[C@H](c1c[nH]nc1-c1ccccc1)N2 1857746781 GHEVMXGDRXPGRV-QGZVFWFLSA-N 383.249 4.002 0 1 GIAF Cc1ccc2nc(CO[C@H]3CN(Cc4cn(C)c5ccccc45)C[C@@H]3F)[nH]c2c1 2356299476 IDCNSLDDQZDXCO-AVRDEDQJSA-N 392.478 4.102 0 1 GIAF CC(C)CC[C@@H]1CC[C@H](NC[C@@H]2C[C@H]([C@H](C)c3ccc(C=O)cc3)[N@@]3C[C@]23O)C1 2356355076 RKXQBFQVQBLOGW-KISDCRECSA-N 398.591 4.190 0 1 GIAF CNC[C@H](O)c1cc(OCc2ccccc2)c(OCc2ccccc2)cc1F 13122936 QDZZRQSBQUVQJI-NRFANRHFSA-N 381.447 4.237 0 3 GIAF CN(CCF)c1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 29124561 GFQVCNWEMBZSIS-UHFFFAOYSA-N 380.448 4.095 0 1 GIAF COc1ccc(S(=O)(=O)Oc2ccccc2C(=O)Nc2ccccc2C)cc1 29405383 XDJPHAMTGFFXQK-UHFFFAOYSA-N 397.452 4.024 0 1 GIAF O=C1O[C@@H](O)C(c2cccc(-c3ccc4ccccc4c3)c2)=C1Br 40950423 MIGBIBPFXLKKON-LJQANCHMSA-N 381.225 4.488 0 1 GIAF CCC(CC)c1nc2c(NCCc3cccc(F)c3)ncnc2n1CCOC 82179715 LRTFSRNUULBFSH-UHFFFAOYSA-N 385.487 4.170 0 1 GIAF O=C(Cc1c(Cl)cc(Cl)cc1C(F)(F)F)N[C@H]1COc2ncccc21 146486266 COYDGZDUROIEJH-ZDUSSCGKSA-N 391.176 4.200 0 1 GIAF COc1cc(C(F)(F)F)ccc1C(=O)N[C@]1(c2ccccc2)CCCN(C)C1 169335857 OTBDMFJWWASBDF-HXUWFJFHSA-N 392.421 4.065 0 1 GIAF O=c1oc2ccc(-c3ccc(F)cc3F)cc2c(=O)n1-c1ccc(F)cc1F 205727722 ZZQCBKFWNSPHFO-UHFFFAOYSA-N 387.288 4.167 0 1 GIAF COc1ccc(-c2cc(CNC(=O)NCC34CC5CC(CC(C5)C3)C4)no2)cc1 473155260 QXGNURXKXGEXIH-UHFFFAOYSA-N 395.503 4.366 0 1 GIAF O=C1C[C@H](Cc2nc3ccc(Cl)nc3[nH]2)c2c(Br)cccc2O1 587004543 WIEGTTOSKVRKBY-QMMMGPOBSA-N 392.640 4.009 0 1 GIAF CCc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)cs2)cc1 587015702 IILZJIASHUPGFG-UHFFFAOYSA-N 376.441 4.247 0 1 GIAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Cl)ncc(Cl)c2[nH]1 587038907 NTACIIRSSLQAMA-UHFFFAOYSA-N 387.252 4.130 0 1 GIAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 587039401 FJKHZPPJEAJDGW-LBPRGKRZSA-N 389.399 4.444 0 1 GIAF Clc1cc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2nc1Cl 587085376 UWWFOXFGAAPPAN-UHFFFAOYSA-N 383.670 4.092 0 1 GIAF Fc1c(Br)ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 587091587 MCWRPJMUGYWPME-UHFFFAOYSA-N 390.134 4.468 0 1 GIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(Cl)ncc2[nH]1 587114157 WVKSZVYAAHTBTI-INIZCTEOSA-N 382.773 4.030 0 1 GIAF Cc1cc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2cc1F 587117226 BDPHQVCCJWYMIX-UHFFFAOYSA-N 391.166 4.231 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCCN(C(=O)OC(C)(C)C)C1)CC2=O 587473674 BCRBSHSKACJRIF-NRFANRHFSA-N 375.465 4.080 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2 587489321 UMZDWGBPKGXJHS-CYYCYGDNSA-N 387.476 4.078 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3ccccc3c1C(=O)O)CC2=O 587489693 NCFOJXFPRVXLJQ-QHCPKHFHSA-N 391.423 4.472 0 1 GIAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc1-c1ccccc1 587575199 DJZRVDIKARTINZ-NFBKMPQASA-N 398.418 4.496 0 1 GIAF COC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc(F)ccc12 587633126 XZWYOPVNFJOLFO-UHFFFAOYSA-N 376.181 4.092 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)(c2ccc(Cl)cc2)N1 587699585 LBTZVQASSYCLMI-DYZYQPBXSA-N 384.676 4.012 0 1 GIAF NS(=O)(=O)c1cccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587950527 RRUZREMDNDLMID-BUHFOSPRSA-N 391.452 4.173 0 1 GIAF CC(C)(CC(=O)O)Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587955773 NXECQIAHODTMLO-UHFFFAOYSA-N 395.175 4.267 0 1 GIAF COc1ccc([C@H]2C[C@@H]2[C@@]2(C)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1 962770911 UDDHIVIOEYJAPE-LYSIVYOWSA-N 389.417 4.360 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@H]2c1cccc(I)c1 963270701 QUOGVAUXGPDKQC-INIZCTEOSA-N 399.659 4.188 0 1 GIAF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3c(OC)ccc(OC)c32)c(F)c1F 963612588 SPQVOTXHPBXBKB-XUSGNXJCSA-N 377.431 4.178 0 1 GIAF Cc1ccc(CN2CC[C@H](N3CCC[C@@H](c4ccc(O)cc4)CC3)C2=O)cc1 1772571625 ZAIRIUOUQPUAPE-OFNKIYASSA-N 378.516 4.071 0 1 GIAF Nc1ccc(NC(=O)c2ccc(OC(F)F)c(OCC3CC3)c2)cc1S 1857761189 GJOVLWPHNNIPLW-UHFFFAOYSA-N 380.416 4.200 0 1 GIAF O=C1C[C@@H]2CCN(CC3CCCCC3)C[C@H]2CCN1Cc1ccc2c(c1)OCO2 2356876125 ZHRGKDDDZCFYDL-LEWJYISDSA-N 398.547 4.056 0 1 GIAF O=C(NC1CCC(CCN2CCN(c3ccccc3)CC2)CC1)C1CCCCC1 601694 XOMRUHWGUJNGLC-UHFFFAOYSA-N 397.607 4.454 0 1 GIAF COc1cc2c(cc1OC)-c1[nH]c3ccc(Br)cc3c1CC(=O)N2 1862243 DUZUWJBAONJCTE-UHFFFAOYSA-N 387.233 4.109 0 1 GIAF CO[C@@H](CCc1ccccc1)c1ccccc1OC[C@H](O)CN1CCCCC1 13529086 IBROBEZGYAHQTA-GGAORHGYSA-N 383.532 4.233 0 1 GIAF O=C(CCCN1CC[C@](CO)(c2ccc(Cl)cc2)C1)c1ccc(F)cc1 13558996 FYCWAZYMRKLMLI-NRFANRHFSA-N 375.871 4.078 0 1 GIAF COc1cc(-c2coc3cc(O)c(CC=C(C)C)c(O)c3c2=O)c(OC)cc1O 14648441 LOFJXYSYEDFQAI-UHFFFAOYSA-N 398.411 4.103 0 1 GIAF biogenic O=C(NCCc1ccc(OC(F)(F)F)cc1)Nc1cccc2cnccc12 26831947 YHSHJMCQJBIORT-UHFFFAOYSA-N 375.350 4.498 0 1 GIAF C[C@@H](NC(=O)N1CC[C@@]1(Cc1ccccc1)C(=O)OC(C)(C)C)c1ccccc1 28475100 YQQLPPRKZSVPOD-HOYKHHGWSA-N 394.515 4.486 0 1 GIAF CN1CCC(n2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)CC1 35950935 FFROZRURSWKTSQ-QFIPXVFZSA-N 389.547 4.207 0 1 GIAF CCn1c2ccc(OCCCN(C)C)cc2c2cc(OCCCN(C)C)ccc21 39208126 ZJGIWHDTXBHOAO-UHFFFAOYSA-N 397.563 4.475 0 1 GIAF CCNCc1cncc(-c2cnc3c(c2)[C@@H](c2nc4cc(F)ccc4[nH]2)N=N3)c1 49567215 KRKHEOQTCZTRNA-IBGZPJMESA-N 387.422 4.455 0 1 GIAF Cn1nc(-c2cnc3ccc(F)cn23)c2ccc(C(=O)N3CCCCCC3)cc21 68245523 UHHQVFISQIWHNE-UHFFFAOYSA-N 391.450 4.043 0 1 GIAF CCOC(=O)c1c(-c2cccc(OC(C)C)c2)[nH]c2cc(OC)ccc2c1=O 95557433 PDDZSJXMJHCERV-UHFFFAOYSA-N 381.428 4.168 0 1 GIAF Cc1cc(S(=O)(=O)Nc2cccc(CO)c2)ccc1-c1ccc(F)cc1F 95581772 YCVYDLLLTPMWEK-UHFFFAOYSA-N 389.423 4.233 0 1 GIAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2nc(-c3ccccc3)c[nH]2)n1 139895907 OJTUEOKDDKRVRS-UHFFFAOYSA-N 386.463 4.131 0 1 GIAF CSc1nn(-c2ccccc2)c2cc(NC(=O)C[C@@H]3CCCCN3)ccc12 149851267 KTIUNEPQPAYWAO-HNNXBMFYSA-N 380.517 4.218 0 1 GIAF CN1C(=O)CCc2c(NC(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)cccc21 169704959 QLRXWFZBURBKFL-WBVHZDCISA-N 381.451 4.193 0 1 GIAF Cc1cccc(OCc2cncc(-c3cc4c(cc3F)N(C)C(=O)CC4)c2C)n1 221021704 GMHCTAHKTPVCCL-UHFFFAOYSA-N 391.446 4.388 0 1 GIAF CC(=O)OC/C(C)=C\CC/C(=C/CC/C(C)=C/CCC1=CCOC1=O)C(=O)O 238732492 XWTBRAOLUUAYOO-ALIPCPGOSA-N 390.476 4.277 0 1 GIAF COC(=O)CC[C@]12C[C@]13CC[C@]1(C)C(=O)CC[C@@]1(C)[C@@H]3CC[C@H]2C(C)(C)O 238760946 WWSMKXNAXIUSFM-PPTDTILJSA-N 376.537 4.283 0 1 GIAF CCOCc1ccc(-c2nc3c(Br)cc(C(=O)OCC)cc3[nH]2)o1 586903668 SMKXGVDMDUUKLK-UHFFFAOYSA-N 393.237 4.299 0 1 GIAF CCOC(=O)[C@@]1(C)CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586989704 PWBMHTCFKKHQDS-DEOSSOPVSA-N 387.435 4.210 0 1 GIAF CCOC(=O)c1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587114622 VNYWTIDBFSGGCU-AWEZNQCLSA-N 377.366 4.001 0 1 GIAF C[C@@H](c1nc2cnc(Cl)[nH]c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F 587129466 LBXKKBBBEMKJNF-VKHMYHEASA-N 383.136 4.292 0 1 GIAF COc1ccc(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(F)c1 587148166 DHOAVFREADNVCE-UHFFFAOYSA-N 375.272 4.351 0 1 GIAF Clc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2n1 587183947 LSZXHDPLNRVIGI-QPJJXVBHSA-N 381.604 4.386 0 1 GIAF CCOC(=O)c1c(NC(=O)Cc2cc3c4c(cccc4n2)CC3)sc(C)c1C 587216556 FIHIHDOLGJTXGM-UHFFFAOYSA-N 394.496 4.370 0 1 GIAF C=CC(=O)Nc1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 587243610 GGWCJXYUMVRLMO-UHFFFAOYSA-N 377.629 4.165 0 1 GIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(N)c1 587341652 ZMTJWIMPGVLLKA-GMAHTHKFSA-N 393.414 4.396 0 1 GIAF COP(=O)(C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OC 587359059 GJAPJYVDXVBJJW-MJGOQNOKSA-N 394.335 4.135 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccccc2C2=C1CCC(C)(C)O2 587410914 HHDJOCWHWQTKSL-DEOSSOPVSA-N 389.451 4.478 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1c(Br)cccc1OC)[C@@H](C2)C3=O 587414347 UQYZFSHENLXWNS-HXPMCKFVSA-N 389.245 4.129 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccncc1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587420876 JPLBFCZLYUKFCZ-AVRDEDQJSA-N 377.827 4.435 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cc(N4CCC[C@H](C)C4)ccc1N)[C@@H](C2)C3=O 587434552 APNJYPMSUWVFBA-BSTGMLCMSA-N 392.499 4.177 0 1 GIAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1N1CCCC1 587444981 SWBKYAQXOYECGN-HXOBKFHXSA-N 379.456 4.183 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccccc1CO[C@@H]1CCCCO1)[C@@H](C2)C3=O 587455637 OPKGKOKIEXOLCU-JXHRLWIKSA-N 380.440 4.227 0 1 GIAF C[C@H](O)[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543967 CTKVJLHQYSKMTD-PSMUNZOPSA-N 396.826 4.284 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc3c(c12)CCO3 587609605 OGJDAACLDWAVEU-ZJSXRUAMSA-N 386.403 4.130 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc[nH]2)(C(F)(F)F)N1 587711657 XQTYTZPLSCRPRT-XLKFXECMSA-N 377.179 4.256 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C[C@H]2CCCO2)N1 587758377 XAAUMXXCJTYNPC-TVZGQMOCSA-N 393.300 4.192 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCC3)nc2)N1 587764545 FSKJSQCLNOXKIF-CWTRNNRKSA-N 390.300 4.207 0 1 GIAF COc1ccc(C)cc1C(=O)CCc1nc2c(C)c(Br)cnc2[nH]1 587788176 YWRDWTXNLOMWSO-UHFFFAOYSA-N 388.265 4.161 0 1 GIAF CCCCOC(=O)[C@@H]1CCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587796950 UPSNHWFBGMKOJB-PTAUBWNISA-N 398.316 4.461 0 1 GIAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(Cl)c1 653722908 URJRCICJSDOPRN-ZIAGYGMSSA-N 386.835 4.173 0 1 GIAF Cc1c(Br)cccc1[C@]1(C)NC[C@H]2CC(=O)N(C)c3cccc1c32 963033194 QHXOGVGXNADKFX-XCLFUZPHSA-N 385.305 4.074 0 1 GIAF CCn1ncc2cc3nc(c21)C=CCOC(C)(C)[C@H](c1ccccc1)NC(=O)N3 1857627728 UBKITLSETNCEQV-FQEVSTJZSA-N 391.475 4.136 0 1 GIAF COc1cc2oc(-c3ccc(CN4CCCCC4)cc3)cc(=O)c2cc1OC 1857775398 LOYKCNXJSFGKJT-UHFFFAOYSA-N 379.456 4.463 0 1 GIAF CC(=O)O[C@@H]1CCC(C)=C[C@H]2OC(=O)C(C)=C2CCC(C)=CCC[C@@]1(C)O 2356329500 GLGCSFHERWMYPP-KCZVDYSFSA-N 376.493 4.158 0 1 GIAF CC(=O)OCC=C(C)CC[C@@H](O)[C@]1(C)CCC=C(CCC=C(C)C)C(=O)O1 2356606194 HEHIVTKZZNEECQ-IRLDBZIGSA-N 378.509 4.405 0 1 GIAF O=C(O)[C@@H]1CCCN(CCOCCN2c3ccccc3Sc3ccccc32)C1 3786093 VQANFEQCHHCOAG-QGZVFWFLSA-N 398.528 4.103 0 1 GIAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)NC[C@H](O)CC 4213355 OBLYCLPDAJCETL-ZMYBRWDISA-N 398.906 4.380 0 1 GIAF CO/C(O)=C1/C(C)=Nc2nc(SC)nc(O)c2[C@H]1c1ccc(Cl)cc1 6723868 FSUAFUQPYCLMDB-IEMQHYRPSA-N 377.853 4.211 0 1 GIAF Cc1c(C(=O)NC2CCCCCC2)sc2ncnc(NC[C@H]3CCCO3)c12 12048716 MEFQEWUSGQUETH-OAHLLOKOSA-N 388.537 4.043 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)NC(C)(C)C)[C@@H]3CC[C@@H]12 26381000 RIGMJQYSJWLGJZ-CGXYBBJHSA-N 386.580 4.157 0 1 GIAF COc1cc(Nc2ncc3ccn(-c4cccc(C)c4)c3n2)cc(OC)c1OC 36348698 PXJNNKBMWDAPCW-UHFFFAOYSA-N 390.443 4.498 0 1 GIAF Fc1ccc(Sc2ncnc3c2ncn3[C@H]2COc3ccccc3CO2)cc1 40861249 LLTWNFNFEVUVFK-QGZVFWFLSA-N 394.431 4.224 0 1 GIAF O=C(NCc1ccccc1Cl)c1cnc(N2CCCC2)nc1-c1ccccc1 82133421 UPHICFSFQDCSDN-UHFFFAOYSA-N 392.890 4.327 0 1 GIAF Cc1ccc(CNc2ncnc3c2nc(C(C)C)n3CC[C@@H]2CCCN2C)cc1 82179355 HKGLYXHDRHQUJY-IBGZPJMESA-N 392.551 4.355 0 1 GIAF CC[C@H](C)[C@H](Nc1nc(-c2ccc(Cl)cc2)cs1)C(=O)NCCOC 82192485 DCSBGCSBMKVLMI-LRDDRELGSA-N 381.929 4.053 0 1 GIAF Clc1ccc(-n2ccc(OCCCCN3CCSCC3)n2)cc1Cl 95555647 PEFMCPQSHLLKBV-UHFFFAOYSA-N 386.348 4.387 0 1 GIAF CCS(=O)(=O)c1ccc2[nH]c(Oc3ccc(-c4ccccc4)nc3)nc2c1 95595386 RGFBZLBLQNVLCJ-UHFFFAOYSA-N 379.441 4.211 0 1 GIAF O=C(c1ccncc1)N1N=C(c2nc3ccccc3[nH]2)C[C@H]1c1ccc(F)cc1 103211737 KNNCHUHRDAXEHB-FQEVSTJZSA-N 385.402 4.089 0 1 GIAF O=C(O)CCCOc1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 116910525 LQPYVMZXAKJSNL-QGZVFWFLSA-N 386.753 4.362 0 1 GIAF COC[C@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 138920765 FQYDPVHTDBTRPO-KRWDZBQOSA-N 376.460 4.485 0 1 GIAF Cc1ncc(C)n2nc(/C=C/c3ccc4cc(OC(F)(F)F)ccc4n3)nc12 144515184 UNADFJGCAZZCNL-VMPITWQZSA-N 385.349 4.358 0 1 GIAF Cc1cccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c1C1=CCCCC1 146513231 QQQZWHUERYOCHQ-UHFFFAOYSA-N 375.468 4.304 0 1 GIAF CC(C)C[C@@H](Nc1cccc(O)c1)C(=O)Nc1nc2ccc3[nH]ncc3c2s1 202050831 FTMBNJPJFUAMIW-QGZVFWFLSA-N 395.488 4.344 0 1 GIAF O=C(NC(=S)NCc1ccccc1)c1ccccc1OCc1ccccc1 299859922 GDQCSIIDPKSMGO-UHFFFAOYSA-N 376.481 4.070 0 1 GIAF CCCn1cnc2cc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc(Br)c21 587002727 CQRHDJNZTLHSBV-UHFFFAOYSA-N 399.248 4.450 0 1 GIAF Cc1nn(-c2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)c(C)c1Cl 587065501 QWOPWSLPGQCGIF-UHFFFAOYSA-N 378.823 4.268 0 1 GIAF CC(C)(C)c1ccc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2n1 587144082 IFZXFPPVQUJJSB-ZDUSSCGKSA-N 391.288 4.400 0 1 GIAF CC(=O)NC1(c2nc3cc(Br)c(C)c(C)c3[nH]2)CCC(C)CC1 587234721 UEFMJJZXSMVMLC-UHFFFAOYSA-N 378.314 4.484 0 1 GIAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(Br)c(O)c3[nH]2)cn1 587247550 OLDRQAHIWXSPDR-UHFFFAOYSA-N 389.253 4.078 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cn(-c4ccc(Cl)cc4)nc1C)[C@@H](C2)C3=O 587423493 UPPLOKYNSPERFI-HRAATJIYSA-N 380.831 4.331 0 1 GIAF COc1cc2c3c(c1)OC1(C[C@@H]4CCC[C@H](C1)N4Cc1cccs1)[C@@H](C2)C3=O 587451940 PLGUABATQWZTOJ-ZHJFZYGTSA-N 395.524 4.460 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C)c1OCC(F)(F)F)CC2=O 587463385 YJRSLFVZVFNGDZ-OAHLLOKOSA-N 398.381 4.034 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C)CC2=O 587478831 TYTKVOFMYNFGFQ-RCDICMHDSA-N 389.492 4.326 0 1 GIAF CN(C)Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587573226 SEGBZHASJWEUHP-OFNKIYASSA-N 375.424 4.157 0 1 GIAF CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600978 CGQVVUMPWVNYDS-RZRCNZQPSA-N 378.424 4.118 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccccn3)CC2)N1 587769721 PDNRAFXXKKRZJL-ZDUSSCGKSA-N 390.300 4.013 0 1 GIAF CC[C@@]1(c2ccc(O)c(OC)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587808189 PLRVPWUMFIAZAU-WYRIXSBYSA-N 394.284 4.490 0 1 GIAF COc1ccc2c(c1)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587809124 PTIQLMWKDHECAO-NSPYISDASA-N 376.269 4.321 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=S)NCC(F)(F)F 587864745 KHKGVHUXHUVKPB-UHFFFAOYSA-N 397.344 4.253 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)COc1cc(F)ccc1F 587871401 VRKCQIDTIHBSKV-UHFFFAOYSA-N 376.334 4.085 0 1 GIAF C=C(C(=O)O)c1cc(O)n(CCOc2cc(C)c(Cl)cc2C(C)C)c1O 587943092 LIMOMKFAFFUUIK-UHFFFAOYSA-N 379.840 4.161 0 1 GIAF Cc1cc(Br)ccc1[C@@]1(C(F)(F)F)NCCc2c(C)ccnc21 963069403 MHNMQTAFQLBCDU-MRXNPFEDSA-N 385.227 4.413 0 1 GIAF FCCOc1ccc(-c2ccc(-c3cn([C@H]4CN5CCC4CC5)nn3)s2)cc1 1857569762 WDYCAHUNSAHNRA-IBGZPJMESA-N 398.507 4.289 0 1 GIAF O=C(/C=C/c1ccccc1)OCc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 1857576786 DFPCBVONJARZLZ-DHZHZOJOSA-N 387.361 4.102 0 1 GIAF COc1ccc(-c2ccnc3[nH]nc(-c4ccc5c(c4)OCO5)c23)cc1OC 1857597526 WCCBEIVNKWIJNP-UHFFFAOYSA-N 375.384 4.038 0 1 GIAF CC(C)[C@@H]1C[C@H](O)[C@]2(C)CCC[C@](C)(O)[C@H]2[C@H]1OC(=O)C=Cc1ccccc1 2356485876 WIIMMGRJVZSVRB-HEZDJTGRSA-N 386.532 4.206 0 1 GIAF O=C(N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1-c1ncc[nH]1 12434070 NYCKPUDMSFRLND-GOSISDBHSA-N 394.906 4.125 0 3 GIAF CC(=O)N[C@H](c1ccc(F)c(F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1 61907581 FLKQZVLCRUROLA-GOSISDBHSA-N 388.395 4.043 0 3 GIAF CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)N[C@@H]1CCCC[C@H]1O 775577 RKBORZBACQSOJN-HUUCEWRRSA-N 394.874 4.465 0 1 GIAF CCCCCCC1=NO[C@@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCCOC 4214608 KDHHIMJHGPAMFS-SFTDATJTSA-N 390.524 4.252 0 1 GIAF O=C(Nc1cccc(-c2ccco2)c1)C1CCN(C(=O)CCc2ccco2)CC1 12386488 VGJLRVXLQVDKFT-UHFFFAOYSA-N 392.455 4.350 0 1 GIAF O=C(c1ccc(-c2ccc(OCCCN3CCCC3)cc2)cc1)N1CCCC1 13488963 KINYVKAOICLKCC-UHFFFAOYSA-N 378.516 4.454 0 1 GIAF CC(C)N(C)Cc1ccc(COC(=O)[C@](O)(c2ccccc2)C2CCCC2)o1 13602081 QBNNYOFOKLAFSF-QHCPKHFHSA-N 385.504 4.241 0 1 GIAF O=S(=O)(O)O[C@@H](CCc1ccccc1)COCc1cccc2ccccc12 26168291 XPONHWAAVLOZPP-FQEVSTJZSA-N 386.469 4.177 0 1 GIAF COc1ccc(C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OC 40423988 LFBHJWWWEMQTDL-UHFFFAOYSA-N 387.479 4.493 0 1 GIAF O=C1OCC2=C1[C@@H](c1cc(Cl)ccc1Cl)c1cc3c(cc1N2)OCO3 42922779 WFLMMFXRAUEPIK-INIZCTEOSA-N 376.195 4.090 0 1 GIAF O=C(O)CCN1CCC[C@@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1 45245063 RKVMCLQIEMOIKL-MRXNPFEDSA-N 375.852 4.450 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 90197129 GNWBLLYJQXKPIP-FOHPXRQLSA-N 388.596 4.334 0 1 GIAF Cc1cccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@H]4C3=O)c2)c1C 101875958 ZOYAADJVAJUVGJ-VOBQZIQPSA-N 390.483 4.481 0 1 GIAF CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCC(=O)O 169622521 AFWJZEQUUAAITC-RQYADBJFSA-N 377.525 4.304 0 1 GIAF O=C1C[C@H](c2ccccc2)NC(=O)[C@@H]1C(=O)Nc1ccc(C2CCCCC2)cc1 169727238 LTJDRUZRLUUWHU-IRLDBZIGSA-N 390.483 4.119 0 1 GIAF O=C1[C@@H]2[C@H]3CSCC[C@@H]3c3c([nH]c4ccccc34)[C@@H]2C(=O)N1c1ccccc1 195514764 LXYBVCDNTFPEED-QTLCSOKXSA-N 388.492 4.291 0 1 GIAF COc1cc2nc(COc3ccc(Br)cc3C)[nH]c2cc1OC 586981017 JINNYTKOYAUYSF-UHFFFAOYSA-N 377.238 4.230 0 1 GIAF Brc1ccc2cc(-c3nc4ccc(Br)nc4[nH]3)cn2c1 587006122 HVSAXXRQUIHRPK-UHFFFAOYSA-N 392.054 4.403 0 1 GIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(C(=O)O)c(F)cc2[nH]1 587044667 MFSAJOOGDKFORW-UHFFFAOYSA-N 385.178 4.391 0 1 GIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 587168068 RWIGJMAZTCOJNE-CQSZACIVSA-N 393.344 4.485 0 1 GIAF COCCOCCCc1ccccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587400931 SMTAPHBVCOHYOD-QHCPKHFHSA-N 383.488 4.053 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(CCCc4cc(Br)ccc41)[C@@H](C2)C3=O 587417816 MLMRQLZLXSWPDS-OXJNMPFZSA-N 385.257 4.437 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C[C@@H]4CCC[C@H](C1)N4C(=O)OC(C)(C)C)[C@@H](C2)C3=O 587440546 BICGELMOMQJWDF-FLXXMVMKSA-N 399.487 4.133 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443708 XFDFAWGWGFFWAO-UNNNGVNHSA-N 386.488 4.207 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccc(Cl)cc3)nn1)CC2=O 587459405 DAUUFYGVUOYHPQ-IBGZPJMESA-N 383.835 4.285 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=COc1cc(F)ccc12 587567829 FIZDGNDHEBTRGF-UGKGYDQZSA-N 376.339 4.295 0 1 GIAF Cc1nc2ccccc2nc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588964 VXNVEBMVQGJLBG-CVDCTZTESA-N 384.391 4.347 0 1 GIAF Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651353 HVUFBQOWHDEETI-LBPRGKRZSA-N 391.254 4.428 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CCC[C@H]2CN(C2CC2)C1 587774161 MXUMIBKWMGQHCT-SNPRPXQTSA-N 393.344 4.212 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(Br)cn1 587860962 HGAGVEAPCWZTPY-UHFFFAOYSA-N 399.170 4.119 0 1 GIAF Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccc(Cl)cc1 653821012 IPDIVLKPMUGNJJ-UHFFFAOYSA-N 386.864 4.032 0 1 GIAF Cc1ccc2c(c1)[C@@]1(CC(C)(C)O2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962732180 XPZBRDUFEQOERW-UWJYYQICSA-N 389.417 4.445 0 1 GIAF Cc1sc2c(c1C)CCN[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 963014171 UNGBBLCBRHLKRS-CHWSQXEVSA-N 378.460 4.397 0 1 GIAF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc(F)cc(F)c2)N1 963201209 YFWCGZBCRMEFBE-DOMZBBRYSA-N 391.723 4.325 0 1 GIAF COC[C@@]1(c2cccc(C(F)(F)F)c2)NCCc2c(OC)ccc(Cl)c21 963271934 YALVCLQLQVCJLC-SFHVURJKSA-N 385.813 4.403 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1ccc(C)cn1)c1ccccc1F 963611877 QZUHMROUOPXQPA-GYCJOSAFSA-N 392.474 4.372 0 1 GIAF CC(C)NC(=O)c1c(NC(=O)c2cccc(Cl)c2Cl)nc2ccccn12 1857585805 NEKIERITTUMFQM-UHFFFAOYSA-N 391.258 4.032 0 1 GIAF CC1=C[C@H](CN(C)CCO)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356302400 UNVKDIQEXKNQAQ-PWRODBHTSA-N 383.536 4.058 0 1 GIAF C[C@H](CCC(=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@@]21C 2356837561 LKUNZSUKADSCME-OBHBNNDYSA-N 392.580 4.478 0 1 GIAF Cc1nnc(Sc2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1 3026126 SULSKCITJDAFDM-UHFFFAOYSA-N 382.470 4.069 0 3 GIAF O=c1c2ccccc2ncn1CCOc1ccc(-c2ccc(F)cc2F)cc1 597389 DUBSBPFRYLPHDW-UHFFFAOYSA-N 378.378 4.421 0 1 GIAF CCCCC1=C(Br)C(=C(Br)Br)OC1=O 1618498 VGADRJOQALVEDC-UHFFFAOYSA-N 388.881 4.341 0 1 GIAF biogenic OC1C[C@H](c2ccccc2)C2([C@H](O)c3ccccc3[C@H]2O)[C@@H](c2ccccc2)C1 5538423 PBMDMYZUOMKWHI-ZGFBMJKBSA-N 386.491 4.476 0 1 GIAF O=C(COc1ccc(-n2ccnc2)cc1C(=O)c1ccccc1)Nc1ccccc1 5934110 HYYUUBOYXOPXEM-UHFFFAOYSA-N 397.434 4.121 0 1 GIAF Nc1nc(NC(=O)OCc2ccccc2)c(N=O)c(OCC2CCCCC2)n1 13487063 WJZXIJGPCGAFFI-UHFFFAOYSA-N 385.424 4.165 0 1 GIAF Cc1cc(Br)cnc1CCCCNc1cc(=O)c2ccccc2[nH]1 13487751 ABYIDQZPEPRZGJ-UHFFFAOYSA-N 386.293 4.429 0 1 GIAF CCCCOCCOc1c(OC)cc(N[C@@H](C)CCCN)c2nccc(C)c12 28221427 YHIUDDWUDADZJX-KRWDZBQOSA-N 389.540 4.287 0 1 GIAF Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCC[C@H]2C)cc1 35816120 VHZWOLIOEMDWAI-GOSISDBHSA-N 391.515 4.337 0 1 GIAF Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2CCCCCC2)cc1 35859712 YJAKSFIWYQQJBZ-UHFFFAOYSA-N 391.515 4.339 0 1 GIAF Cc1nc2c3c(c(C(=O)NC4CC4)cn2c1C)CC[C@@]1(CCc2ccccc21)O3 40866966 LEJWEIBZNYAPGL-XMMPIXPASA-N 387.483 4.010 0 1 GIAF O=C(O)c1c(O)cc(O)cc1CCc1ccc(Cc2nc3ccccc3o2)cc1 95559864 FIRRKFNSARLTHM-UHFFFAOYSA-N 389.407 4.313 0 1 GIAF Clc1ccc(CSc2nnc(Cn3nnc4ccccc43)o2)cc1Cl 96271737 XJUZKNUVFHVWBX-UHFFFAOYSA-N 392.271 4.462 0 1 GIAF COc1cc([C@@H]2CC(c3ccc(F)cc3)=NN2C(C)=O)cc2[nH]c(=S)oc12 96934825 GWQCMIBMXSKWOA-INIZCTEOSA-N 385.420 4.336 0 1 GIAF O=C(Nc1cc(C(F)(F)F)ccn1)c1cc(F)cc(Oc2cncnc2)c1 96938945 XBWJPFZNCGVCJM-UHFFFAOYSA-N 378.285 4.074 0 1 GIAF COc1cccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccccc2)c1OC 101095680 ZEPBXECUPSIRLM-WOJBJXKFSA-N 394.515 4.019 0 1 GIAF CCOC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccc(Cl)cc1Cl 103186416 HLDXNFHYXBUIII-CKDFRHGISA-N 392.282 4.297 0 1 GIAF Cc1cc(=O)c(-c2nnc(Nc3ccccc3)s2)nn1-c1ccccc1Cl 103282330 GDVCZACLIRZWDA-UHFFFAOYSA-N 395.875 4.456 0 1 GIAF COc1ccc([C@@H]2[C@H]3CCC[C@@H](C3=O)[C@@H](c3ccc(OC)cc3)N2N=O)cc1 105481808 QWNRHWNQHLYNSX-XRXFAXGQSA-N 380.444 4.469 0 1 GIAF CC1=N[C@@]2(N=C1N)c1cc(Br)ccc1CC21CCC(C(F)F)CC1 169708825 SEMLTECGFLAMPC-JLBWCALKSA-N 396.279 4.431 0 1 GIAF Cc1ccc(N2CCc3ncnc(NCc4ccccc4C(F)(F)F)c3C2)nc1 202609236 WPKSUMYXLJCFPE-UHFFFAOYSA-N 399.420 4.374 0 1 GIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccccc3[nH]2)C[C@@H]2CCCC[C@H]21 586957447 ASQPNFBGXWVMFA-BEVDRBHNSA-N 381.501 4.257 0 1 GIAF Clc1cc2nc(-c3cnn4cc(Br)cnc34)[nH]c2cc1Cl 587006096 HAFITFWWBBBIJN-UHFFFAOYSA-N 383.036 4.342 0 1 GIAF CC1=C(c2ccc3nc(C4(Cc5ccc(Cl)cc5)CC4)[nH]c3c2)NNC(=O)C1 587073075 AQALXPJFXBLNEV-UHFFFAOYSA-N 392.890 4.246 0 1 GIAF COC(=O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2n1 587095209 RZERLITZSKXQHG-UHFFFAOYSA-N 389.255 4.449 0 1 GIAF COC(=O)c1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2n1 587123602 SAZMXWHEXNGNSO-UHFFFAOYSA-N 397.378 4.077 0 1 GIAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)cc1 587158491 NFLANDHLRMVLKO-UHFFFAOYSA-N 387.370 4.179 0 1 GIAF COc1ncccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336121 JDIWSPTUICAHMP-DENIHFKCSA-N 379.387 4.209 0 1 GIAF CCOC(=O)[C@@]1(c2ccc(C(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587380122 AWOJTUUEQBOCEB-IBGZPJMESA-N 393.361 4.020 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)cc(Br)cc1F)O2 587382481 RZDRIYDAHBIKCS-KRWDZBQOSA-N 382.204 4.499 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1CCc1ccccn1)CC2=O 587469832 GPUIPSMFPRTHHR-QFIPXVFZSA-N 376.456 4.490 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2CCC[C@H]1C(=O)OC 587484188 YSXGYRBTWIXRAK-YADARESESA-N 394.467 4.331 0 1 GIAF CC(C)N1CCc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2C1 587534942 GNIOTFJOABYVPT-LJQANCHMSA-N 382.529 4.495 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c2c(c1)OCO2 587550426 AMSPWYGQVXTDPP-FXAWDEMLSA-N 396.782 4.477 0 1 GIAF CC1CCN(CC(C)(C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587581855 JIBOVDBNVBJPQR-NZQKXSOJSA-N 395.499 4.481 0 1 GIAF Cc1ccc2nc(C)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2c1 587588740 RYLKJWVXXMGVSY-WMZHIEFXSA-N 386.407 4.360 0 1 GIAF CCn1ncc(Cl)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587699118 ROUUJMDIJNRZGS-JDNHERCYSA-N 386.696 4.256 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]c3nccc-3cc2F)N1 587726830 LGUUKNGLXLGVHE-VPTHRUTESA-N 378.220 4.179 0 1 GIAF Cc1cc(C(=O)O)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587829840 YHPWJYDVLTXCGE-DYZYQPBXSA-N 378.241 4.218 0 1 GIAF CC(=O)Nc1ccc2c(c1)[C@]1(CCO2)NCCc2cccc(-c3ccccc3)c21 962672758 TTZJHRXRERDMGK-VWLOTQADSA-N 384.479 4.484 0 1 GIAF CC(C)NC(=O)c1ccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962698711 JHBXZQBTEHPJQW-XMSQKQJNSA-N 398.547 4.417 0 1 GIAF CCOC(=O)C[C@]1(c2cc(CC)ccc2OC)NCCc2c1sc(C)c2C 963034410 YTCOSRNRTWPPEY-JOCHJYFZSA-N 387.545 4.278 0 1 GIAF COc1ccc(Cl)cc1[C@]1(CCCCC(=O)O)NCCc2c(C)ccnc21 963064700 CCWIEPKFCXLRET-NRFANRHFSA-N 388.895 4.086 0 1 GIAF COc1ccc2cc([C@H]3NCCc4c(Cl)cc(Cl)cc43)c(O)nc2c1 963114252 SQKVQJSMMIZRFG-SFHVURJKSA-N 375.255 4.491 0 1 GIAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](c2ccccn2)(C2CC2)N1 963177623 DHDQMNMVAKSSIC-UGSOOPFHSA-N 396.796 4.006 0 1 GIAF CCCCC[C@@]1(c2ccc(O)cc2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963227252 GDMSHNIBGMEOKH-UPVQGACJSA-N 390.483 4.363 0 1 GIAF Cc1nc(OCCCCCN2CCN(c3ccccc3)CC2)c2ccccc2n1 1772630469 VHSHFMLUPGDBON-UHFFFAOYSA-N 390.531 4.310 0 1 GIAF COc1cc2c3c(c1OCC1CC1)-c1cc(NC(C)=O)ccc1C[C@H]3N(C)CC2 1911571482 FIYKGARMISXQRS-HXUWFJFHSA-N 392.499 4.195 0 1 GIAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)C3=C(C)[C@H]([C@]4(C)CCCC(C)(C)C4)CC[C@H]1[C@@H]32 2356790602 FTKZQDPLZKVCTJ-BSIRLLCKSA-N 376.493 4.354 0 1 GIAF CC[C@H](C(=O)NC(C)(C)C)n1c(-c2ccc3c(c2)OCO3)nc2ccccc21 95600102 KDVHEBDOPHLPJA-MRXNPFEDSA-N 379.460 4.298 0 3 GIAF C[C@H](N[P@@](=O)(O)Oc1cccc2ccccc12)C(=O)OCc1ccccc1 28567453 BXPAJQJSWHVBMA-HNNXBMFYSA-N 385.356 4.041 0 1 GIAF Cc1csc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)n1 36382600 CSWJCLVACIIDKE-UHFFFAOYSA-N 376.441 4.403 0 1 GIAF O=C(c1ccc(Oc2ccc(Cl)cc2)nc1)N1CCCN(C2CCC2)CC1 53295969 AHYIQKYLWZRVTE-UHFFFAOYSA-N 385.895 4.228 0 1 GIAF O=C(Cc1ccccc1)/N=c1\[nH]c2ccccc2n1Cc1ccc(Cl)cc1 66167372 SAGMFVUAZSXJMJ-UHFFFAOYSA-N 375.859 4.341 0 1 GIAF C[C@@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCCC3)c(-c3ccccc3)n2)C1 82133297 UMNPDHOAWGOMDN-QZTJIDSGSA-N 378.520 4.252 0 1 GIAF COC[C@@H](C)n1c(=O)c(C)nc2c(-c3ccc(Cl)cc3Cl)ccnc21 84672497 SIOLFVXVJUWTBT-SNVBAGLBSA-N 378.259 4.281 0 1 GIAF CC(C)c1ccc(NC(=O)C[C@H]2C(=O)OC(C)(C)CN2Cc2ccccc2)cc1 117786424 OQRKCADMEXTCPF-NRFANRHFSA-N 394.515 4.345 0 1 GIAF Cc1onc(-c2cccc(F)c2F)c1COc1ccc(C(=O)NC(C)C)cn1 143561184 ICBHTYZSTULLFQ-UHFFFAOYSA-N 387.386 4.040 0 1 GIAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 586880131 ZCTIZEGFAHXLJU-UHFFFAOYSA-N 391.496 4.456 0 1 GIAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(F)cc3[nH]2)C[C@H]2CCCC[C@H]21 586962237 WAVROYHZZJKBML-XMCHAPAWSA-N 399.491 4.397 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(O)c3[nH]1)N2 587030611 GJPQWGQHOCDDAY-SRMXYGTFSA-N 386.502 4.395 0 1 GIAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(Br)c(O)c3[nH]2)c1 587050035 LWSQGPYYBAWBCM-UHFFFAOYSA-N 380.629 4.310 0 1 GIAF Fc1cc(F)c(-c2nc3cncc(Br)c3[nH]2)cc1Br 587137624 CTIDZYPBJAOFGQ-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2ccc(F)cc2[nH]1 587167470 NQYZGIODTCTKIE-UHFFFAOYSA-N 391.424 4.370 0 1 GIAF C[C@]1(c2cccc(CO)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352716 LYFJMYCQPKRTQL-FYYLOGMGSA-N 378.399 4.298 0 1 GIAF CCC[C@]1(C2(c3ccccc3)CCNCC2)CC(=O)c2cc(C)cc(N)c2O1 587400776 OFDXPJBQINKSGX-XMMPIXPASA-N 378.516 4.403 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc4cc(Br)ccc4n1)[C@@H](C2)C3=O 587417554 LUFXVGFFVOOUPH-XOBRGWDASA-N 396.240 4.495 0 1 GIAF COc1cc2c3c(c1)O[C@](CCCC(=O)O)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587424287 YKMRQNGWDRBRPV-HRAATJIYSA-N 386.831 4.246 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1cscn1)[C@@H](C2)C3=O 587453579 RJOIABPMNNCYCQ-HRAATJIYSA-N 379.437 4.219 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(Cl)cc(Cl)c21 587463687 WTZZRFXAXZAKAK-IBGZPJMESA-N 392.238 4.464 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCOCC3)c(F)c1)CC2=O 587465210 BXAIYVPFUYVXIC-HSZRJFAPSA-N 399.462 4.201 0 1 GIAF O=C1C[C@@]2(CCN(C(=O)OCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587513134 HSBHBDPPOTXXGL-XMMPIXPASA-N 391.467 4.312 0 1 GIAF COc1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587586762 JPOYMOGFHJPJLN-GHTZIAJQSA-N 391.423 4.067 0 1 GIAF Cc1cccc(NC(=O)c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)n1 587623304 PNQFCMPBPKXCPA-UHFFFAOYSA-N 384.237 4.071 0 1 GIAF CC(=O)c1cc(N)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587744028 GAUSRAWUZKAHSE-APBUJDDRSA-N 391.284 4.171 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](c3cnn(C)c3)C2(C)C)N1 587756754 FHZYFLYSXPRXNO-FRGNPEFRSA-N 392.316 4.265 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccccc2O)N1 587834951 UQYDEBCQPFYTQT-NSPYISDASA-N 392.268 4.316 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CCO[C@H]1C21CCCC1 587839876 VKTWQURJVKAVSQ-MFEACKHVSA-N 380.301 4.297 0 1 GIAF O=C1C[C@H](C2CC2)C[C@]2(C1)c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962636916 JKICTMFGVLVKRK-SYVJQLTCSA-N 386.539 4.408 0 1 GIAF CC(C)c1nn(C)c2c1[C@@H](c1cn(Cc3ccccc3)c3ncccc13)NCC2 962910818 NFESFBRIXQEUAJ-HSZRJFAPSA-N 385.515 4.177 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]2(c1ccccc1)c1ccccc1C(=O)O 963257399 JNYZBYWSZHLEID-QHCPKHFHSA-N 393.870 4.484 0 1 GIAF CC(C)(C)c1cc(C(=O)Nc2ccc(C(=O)NCCN)cc2)cc(C(C)(C)C)c1 1772581487 IKCHUFPAFZFUST-UHFFFAOYSA-N 395.547 4.222 0 1 GIAF COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3cccc(F)c3)o1)CC2 1857749345 ZQZXNXGQVVNKGK-UHFFFAOYSA-N 381.403 4.301 0 1 GIAF COc1ccccc1CN1C(=O)c2ccccc2[C@H]1C(=O)NC1CCC(C)CC1 3044644 PCRUOXHIZNFULE-QRFVXNFXSA-N 392.499 4.087 0 3 GIAF CCOC(=O)c1cc([C@@H]2CCN(C[C@@H](C)CC)C2=S)c(-c2cc(C)no2)[nH]1 1653957 LOBREDKSHZCROZ-JSGCOSHPSA-N 389.521 4.318 0 1 GIAF CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NCCCOC)cc1 2478206 DFZLPFXGAVPLMK-UHFFFAOYSA-N 398.434 4.313 0 1 GIAF CCOC(=O)OC[C@@H]1O[C@@H](c2cc(C)cc(C)c2)C=C[C@H]1OC(=O)OCC 7992557 MTNRXWGXIGXDEC-KURKYZTESA-N 378.421 4.014 0 1 GIAF O=c1cc(C2CCC2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc12 12356283 CTUFOSUSILTDOK-UHFFFAOYSA-N 399.531 4.456 0 1 GIAF COC(=O)C[C@H]1c2ccccc2[C@H](Cc2ccc(OC)cc2)[C@H](C)N1C(=O)OC 13817731 LPMQDEGGQDLASL-RVHYNSKXSA-N 397.471 4.096 0 1 GIAF Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2F)cc(C)n1 13832969 PZKWVQCHSCGKAO-UHFFFAOYSA-N 386.398 4.412 0 1 GIAF CN(C)c1nc2ccc(NC(=O)CCc3ccc(C(F)(F)F)cc3)cc2[nH]1 40425143 WZPBWRVGCMXKJH-UHFFFAOYSA-N 376.382 4.219 0 1 GIAF COCCn1c(CC(C)(C)C)nc2c(NCc3ccc(Cl)cc3)ncnc21 82185302 IYIPPOSLLCRLSY-UHFFFAOYSA-N 387.915 4.327 0 1 GIAF Cn1nc(CC(=O)Nc2cc(Cl)c(Cl)c(Cl)c2)c2ccccc2c1=O 95593795 AXXWVZLXLSZFCV-UHFFFAOYSA-N 396.661 4.075 0 1 GIAF COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)ccc1OC(F)F 104059878 WBFUZTMEIRMISE-MRXNPFEDSA-N 390.390 4.196 0 1 GIAF Cc1c(C(=O)O)sc2ncnc(Nc3cccnc3O[C@H](C)C(F)(F)F)c12 118739165 MOIMTYHINWJRFX-MRVPVSSYSA-N 398.366 4.166 0 1 GIAF O=C(c1ccc(Oc2ncccc2[C@@H]2CCOC2)cc1)c1nc2ccccc2[nH]1 139522385 RLULHYKXDSLNFG-MRXNPFEDSA-N 385.423 4.485 0 1 GIAF C/C=C\[C@@H]1C[C@@H]1C1=C(Br)[C@H]2O[C@H](C=C=CBr)C[C@H]2O1 140606279 DSVLSFOHBJOXOY-FOERINQPSA-N 388.099 4.425 0 1 GIAF Cn1nc(C(F)(F)F)cc1-c1cnc(NC(=O)c2ccccc2Cl)s1 142566518 WBPIRBLCLZUSKQ-UHFFFAOYSA-N 386.786 4.468 0 1 GIAF Cc1nc(/C=C/[C@@H]2C/C=C/CCC[C@@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O2)cs1 195341293 OAXHQZGPHDPLOS-BZHIFZFCSA-N 391.533 4.099 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(-c3ccc(C(C)=O)cc3)cc2)C[C@H]2CC[C@H]1N2C 253634207 QOGDDOWLBRAWFT-ODAXIHTASA-N 377.484 4.296 0 1 GIAF O=C1C[C@H](Sc2cccc(C(F)(F)F)c2)N1C(=O)NCc1ccccc1 299865355 NMDMLRQONMMTQF-INIZCTEOSA-N 380.391 4.266 0 1 GIAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccc(C(F)(F)F)cc2O[C@H]31 473087350 FEUJCEVKMRGNOB-LJQANCHMSA-N 388.345 4.285 0 1 GIAF CC(=O)c1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCC(=O)N5)c2)cc1 586879899 LFGVISXGEJVGAA-UHFFFAOYSA-N 383.407 4.430 0 1 GIAF Ic1cnc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc2c1 586884166 OLHVWXHQCPTZMK-PKAHGGBBSA-N 379.245 4.030 0 1 GIAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586962288 PFDJZBMJIZCFJC-GFCCVEGCSA-N 393.472 4.073 0 1 GIAF CCn1cc(Br)c(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)n1 587000014 JLASEQFAQAEINS-UHFFFAOYSA-N 375.604 4.064 0 1 GIAF CC1=C(c2ccc3[nH]c(-c4cc5c(s4)CC[C@H](C)C5)nc3c2)NNC(=O)C1 587033534 JHLTVQYQCJAULT-NSHDSACASA-N 378.501 4.172 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c(F)ccc(Br)c31)O2 587387983 YATIQTKXSLEIQT-SFHVURJKSA-N 376.225 4.286 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc4cc5c(cc4nc1Cl)OCO5)[C@@H](C2)C3=O 587421808 RRGNXOWCDVGICR-YUNKPMOVSA-N 395.798 4.114 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1sc(-c4ccc(O)cc4)nc1C)[C@@H](C2)C3=O 587451966 POGZWLISEVZGEW-AOMKIAJQSA-N 393.464 4.496 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)c(Br)cc1O)CC2=O 587457030 UNJQPRSLGZZRHX-QGZVFWFLSA-N 393.233 4.225 0 1 GIAF CCOC(=O)C[C@]1(c2sc(C)nc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587530637 GHBSFGKUEMXAKX-QFIPXVFZSA-N 399.512 4.453 0 1 GIAF Cn1cc([C@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587580395 HXKHUHIJRPMWAJ-URXFXBBRSA-N 398.418 4.031 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(N2CCCC2)o1 587594213 MBELXCNDLZDFKL-KNQAVFIVSA-N 377.396 4.288 0 1 GIAF O=C(O)CC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601372 CZQKPHRNIUIWJW-REWPJTCUSA-N 390.391 4.114 0 1 GIAF CCOC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccccc1Br 587632955 SNJIFALGUBBXSB-UHFFFAOYSA-N 390.208 4.477 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(N)CC[C@@]2(C)C3(C)C)N1 587747309 POANZYBNOUZBLS-ISOTWLOGSA-N 381.333 4.245 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2COc3ccccc3C2)N1 587837054 YZIXIVLHTRQECQ-FRGNPEFRSA-N 376.269 4.415 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-n3ccnc3)cs2)N1 587849691 VMVZYCKSPVJWKH-BTDLBPIBSA-N 392.297 4.459 0 1 GIAF COc1nc(Cl)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587850764 FMXNAYMBQMPAHE-KSBSHMNSSA-N 391.693 4.330 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(C3CCC(OC[C@@H](C)OC)CC3)nc2c1 587952224 NCUWEPCVYDYGDK-LKSINWNRSA-N 380.872 4.081 0 1 GIAF CC[C@@]1([C@@H]2CCOC(C)(C)C2)c2cc(OC)ccc2CCN1CCCOC 961327197 UGSGCHJRXUBCCI-AUSIDOKSSA-N 375.553 4.400 0 1 GIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](Cc2ccccc2Cl)N1 962690434 AGWHQNMRXOIQGX-JKSUJKDBSA-N 387.760 4.381 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2ccc3cc(C(F)(F)F)ccc3n2)N1 962916015 WMDACCMHVKVWBA-FUHWJXTLSA-N 390.336 4.081 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)N1 962940268 ADBQSHJNNNOPDM-COFZXWSMSA-N 378.520 4.313 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@@]2(C)CCc1c(C)[nH]c2ccccc2c1=O 963271119 SNWYPVITWDMPLT-QHCPKHFHSA-N 396.918 4.492 0 1 GIAF Cc1ccc(-c2ccc([C@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)s2)s1 963465435 CMUBRFKTDUWNGG-ORAYPTAESA-N 385.510 4.487 0 1 GIAF CC(=O)N1CCc2c(c(Nc3cccc(-c4ccccn4)c3)nn2CC2CC2)C1 1772627579 YHBKXFFZZJCTSD-UHFFFAOYSA-N 387.487 4.003 0 1 GIAF COc1cc2ncnc(Nc3cc(-c4ccc(Cl)cc4)[nH]n3)c2cc1OC 1772633397 XFVUOVJZXXGWDV-UHFFFAOYSA-N 381.823 4.434 0 1 GIAF COc1cc(C(=O)c2cccc(-c3ccc(C)c(F)c3)n2)cc(OC)c1OC 1857556978 COLFLKBPAXQONL-UHFFFAOYSA-N 381.403 4.453 0 1 GIAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](CN3C3CCCC3)Oc3ccccc32)cc1 2356298945 LISBRHVXDUVUJO-RBBKRZOGSA-N 392.499 4.006 0 1 GIAF CC(C)[C@]12C[C@@H](O)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)C=Cc1ccccc1 2356402959 VWHNJBKOOIZSEF-ZHOUSYAYSA-N 384.516 4.222 0 1 GIAF CC[C@H](C)C(=O)Oc1cc(OC)c(C=CCOC(=O)[C@H](C)CC)c(OC)c1 2356491665 OBZBPIALARPOKZ-CABCVRRESA-N 378.465 4.258 0 1 GIAF COC(=O)c1cc(OC)c2cc(O)c3c(c2c1O)[C@@H]1[C@H]2[C@H](CC[C@@]2(C)O3)C1(C)C 14950955 TVIHKWWLPPRESU-UCDDWYFPSA-N 398.455 4.347 0 1 GIAF Fc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Br)c2n1 38837816 RDQDBMHYRNUCMV-UHFFFAOYSA-N 398.239 4.305 0 1 GIAF CCCCc1nc2c(c3c1C[C@@H](C)OC3)CN(C(=O)Cc1cccs1)CC2 66139789 NJRRREVXHPZYFM-OAHLLOKOSA-N 384.545 4.074 0 1 GIAF Cc1cccc(OC(=O)C(Br)(C(F)(F)F)C(F)(F)F)c1C 68573956 FYLFXSPMUPIZLO-UHFFFAOYSA-N 379.094 4.467 0 1 GIAF biogenic CC(C)C[C@H]1CN(C(=O)/C=C/c2cccc(Cl)c2)[C@@H](CC(C)C)C(=O)N1 103267091 FJAFJBMOGFPSAS-VANUVFSVSA-N 376.928 4.141 0 1 GIAF O=C1NC(=O)/C(=C\c2cccc(OCCOC3CCCCC3)c2Cl)S1 115794374 SBYXYOQIZOCPES-RVDMUPIBSA-N 381.881 4.392 0 1 GIAF O=Nc1c([C@@H]2C(=O)Nc3c2cccc3C(F)(F)F)[nH]c2ccc(C(=O)O)cc12 169729509 UNCYMSKRQGJFEU-GFCCVEGCSA-N 389.289 4.367 0 1 GIAF CC(C)C/C=C1\C[C@](CO)(COC(=O)CC(CC(C)C)CC(C)C)OC1=O 214297830 QVOXHUHSSXCOAL-HKYPXWLPSA-N 382.541 4.279 0 1 GIAF CC[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@@H](CC(=O)OC)[C@](C)(CC(=O)OC)[C@H]3CC[C@]12C 238788874 SIZQRHSXXDKFNH-LFQRWVBISA-N 392.536 4.177 0 1 GIAF NC(=O)c1cncc(Oc2cccc3c(NC(=O)c4ccccc4)cccc23)c1 299839599 YXALICSPLRPVAX-UHFFFAOYSA-N 383.407 4.378 0 1 GIAF CCCCC[C@H](O)/C=C\[C@@H]1O[C@H]2O[C@@H]([C@@H]1C/C=C/CCCC(=O)O)C2(F)F 328577288 GJCWJHMKKPOZIY-NZAIMZIUSA-N 388.451 4.060 0 1 GIAF in-vitro COC(=O)c1ccc(Oc2ccc3nc([C@H](N)c4ccsc4)[nH]c3c2)cc1 587025019 IGEMGJAXRANWLZ-GOSISDBHSA-N 379.441 4.251 0 1 GIAF CCOc1ccccc1[C@](N)(c1nc2c(C)cnc(Cl)c2[nH]1)C(F)(F)F 587093835 YJTOCTQACFMSIE-INIZCTEOSA-N 384.789 4.083 0 1 GIAF Nc1c(-c2nc3cc(Br)cc(F)c3[nH]2)cnc2c(F)cccc12 587176532 PFVVMYDEKHBEPY-UHFFFAOYSA-N 375.176 4.401 0 1 GIAF COc1ccc2c(c1Br)CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587374472 YGMJLQSFGJATDX-IBGZPJMESA-N 388.261 4.155 0 1 GIAF COC(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587457147 ZTSOZJXIJAORGF-ZHRRBRCNSA-N 390.391 4.231 0 1 GIAF COc1ccc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587512753 PGIGZPYHLJEZAJ-HSZRJFAPSA-N 379.456 4.327 0 1 GIAF CC(C)COc1cccc(OCc2nc3cc(Br)ncc3[nH]2)c1 587566068 SLYPMWHNJZBCLC-UHFFFAOYSA-N 376.254 4.334 0 1 GIAF COc1ccc2c(c1)C[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601060 QGLPERNCSZMQRY-XUZZJYLKSA-N 388.419 4.290 0 1 GIAF CC(=O)Nc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587616041 YRXUHCYSAWNTEL-XLIONFOSSA-N 381.409 4.115 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3n[nH]c(Cl)c3c2)N1 587705313 MRXKQNHJKLSMPZ-JKYUHCHBSA-N 395.663 4.137 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccc(Cl)nc32)N1 587706900 SKYVICNTPTWZIJ-HUTHGQBESA-N 381.676 4.361 0 1 GIAF COC(=O)c1cc2nc(CCOCC3CC3)[nH]c2c(F)c1Nc1ccccc1 587783451 BISMUDVEFOFXKR-UHFFFAOYSA-N 383.423 4.201 0 1 GIAF COc1cccc2c1CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587810764 UMWLVDOJDMJVBQ-JEOXALJRSA-N 376.269 4.321 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)n1cc(Cl)c(C)n1 587871548 ZIPJOPXMQHAUJY-LBPRGKRZSA-N 376.819 4.148 0 1 GIAF CS(=O)(=O)Nc1ccc(-c2csc(-c3cccc4cccnc34)n2)cc1 587924155 IRRJXQYOQRQXKM-UHFFFAOYSA-N 381.482 4.397 0 1 GIAF Nc1nc2cc([C@H]3c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)ccc2o1 962642977 OVFARIOHJUFAFV-RDPSFJRHSA-N 396.494 4.246 0 1 GIAF O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cccc(O)c2Cl)CC1 1857552741 QPRWLPVNLHGFFV-UHFFFAOYSA-N 378.255 4.434 0 1 GIAF CCOc1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)cnn2C(C)=O)cc1 1857585865 XPFBCYSLMUWNDP-UHFFFAOYSA-N 396.443 4.302 0 1 GIAF C[C@H](c1ccccc1)n1cnc(-c2cc(-c3nn[nH]c3C(F)(F)F)ccn2)c1 1857649283 HDWCWNNKLHTKJH-GFCCVEGCSA-N 384.365 4.358 0 1 GIAF COc1ccc(OC[C@@H]2c3sccc3CCN2C(=O)/C=C/C(F)(F)F)cc1 1911574303 NLSQSCUGQPRTKT-YXMGTMDOSA-N 397.418 4.380 0 1 GIAF Fc1ccccc1-c1nnc(Cn2c(CN3CCCCC3)nc3ccccc32)o1 1911579272 VDGHKWQTDLHSRK-UHFFFAOYSA-N 391.450 4.260 0 1 GIAF CC(=O)OCC(COC(C)=O)OC(=O)C=C(C)CCC1=C(C)CCCC1(C)C 2356459074 WWSSOPUZTZPYPP-UHFFFAOYSA-N 394.508 4.278 0 1 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@@H](C)[C@@]12C 2356582149 CDBIVUXQDDOZNF-OSICRVKESA-N 388.460 4.319 0 1 GIAF C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CC(=O)c1cc3[nH]c4ccccc4c3cc12 2356803236 WVXOQWYNERVPNC-SKWRMQMOSA-N 377.440 4.027 0 1 GIAF Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)nn1C 15072919 SETHRHYPFROKGS-LJQANCHMSA-N 391.519 4.019 0 3 GIAF COc1cccc(-c2cc(NC=O)c3ncc(-c4ccc(C(C)=O)cc4)n3c2)c1 61906373 SESWGKMSIKIDLL-UHFFFAOYSA-N 385.423 4.448 0 3 GIAF COc1cccc(-c2cc3c(Nc4cccc(S(C)(=O)=O)c4)nccc3[nH]2)c1 82083612 BISXVAXQFJCSKB-UHFFFAOYSA-N 393.468 4.386 0 3 GIAF Cc1ccc2c(c1)[C@@H](c1ccc(F)cc1)N(C(=O)Cc1ccccc1)CC(=O)N2 2724149 SPNPTMKYTZBVOZ-XMMPIXPASA-N 388.442 4.247 0 1 GIAF CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc2c(c1)OCO2 4192455 MZHHSUUQJFOFLO-UHFFFAOYSA-N 380.400 4.283 0 1 GIAF CCCC(CCC)N1CCn2c(=O)n(-c3ccccc3OC)c3nc(C)cc1c32 13652922 LWIGGBRZJLEERX-UHFFFAOYSA-N 394.519 4.293 0 1 GIAF COc1cc(OC)c([C@@H]2CC[C@H]2c2cc(OC)c(OC)cc2OC)cc1OC 14635679 JSEZFCVVWRJUJW-ZIAGYGMSSA-N 388.460 4.399 0 1 GIAF biogenic COc1cc2c(cc1OC)[C@H]1C(=O)c3ccc4c(c3O[C@H]1CO2)C(C)(C)C=CO4 25979108 GSZRULWGAWHHRI-RBUKOAKNSA-N 394.423 4.007 0 1 GIAF biogenic O=C(O)CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@@H]3CCc4ccccc43)[C@@H]2C1 26154717 GNAKQYNBEYESRS-UQGRMMNDSA-N 396.527 4.222 0 1 GIAF Cc1nc(-c2ncn3c2CN=C(c2ccccc2Cl)c2ccccc2-3)no1 26380636 ZNHCHINYSJNCDC-UHFFFAOYSA-N 375.819 4.235 0 1 GIAF CCN(CC)[P@@](N)(=O)O[C@@H](C[C@@H]1NC(C)(C)C[C@@H](C)O1)c1ccccc1 26823618 YTSDEBSCKWKCGY-SSAPLAIGSA-N 383.473 4.046 0 1 GIAF O=C1c2nc3cc(-c4ccco4)nn3c(O)c2CN1Cc1cccc2ccccc12 29128304 FAOIWQUPYFONTJ-UHFFFAOYSA-N 396.406 4.004 0 1 GIAF COc1ccc(CNc2ccc(C(=O)Nc3ccccc3N)cc2)cc1OC 36338695 UTFXJOLZTVTKET-UHFFFAOYSA-N 377.444 4.150 0 1 GIAF O=c1cc(OCc2ccc(F)cc2)ccn1CCc1ccc(N2CCCC2)cc1 45258508 ZXCQUKGPWVJEJZ-UHFFFAOYSA-N 392.474 4.409 0 1 GIAF CCCCNc1nc(NCCCOC(C)C)nc2cc(OC)c(OC)cc12 82129344 JQHZZNFOEKPIEB-UHFFFAOYSA-N 376.501 4.086 0 1 GIAF O=C(NCC1CCCCC1)c1cnc(N2CCCCC2)nc1-c1ccccc1 82132622 QORPDFWRNFMIKZ-UHFFFAOYSA-N 378.520 4.444 0 1 GIAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N(C)CC)nc1-c1ccco1 82142725 WRZYYFDFVFMRBD-UHFFFAOYSA-N 378.476 4.163 0 1 GIAF CCOC(=O)[C@@H]1C(C)=Nc2nc3c(c(N)c2[C@H]1c1ccc(C)cc1)CCCC3 169686296 KSRAGVSAGPERSL-MOPGFXCFSA-N 377.488 4.268 0 1 GIAF O=C(Nc1cccc(F)c1)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 169721969 JWFUGNXQGLGJBJ-OKILXGFUSA-N 376.387 4.421 0 1 GIAF O=C(Nc1ccc(Cc2nc3cnccc3[nH]2)cc1)c1ccc(Br)o1 587008326 SPUUEUMKFVCADC-UHFFFAOYSA-N 397.232 4.157 0 1 GIAF COC(=O)c1cc2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c2cc1OC 587132564 DJNXAFVELQHZHH-UHFFFAOYSA-N 397.189 4.035 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCc4c(Br)ccc(C)c41)[C@@H](C2)C3=O 587418008 RBLNTYTXLYSTSD-VBKZILBWSA-N 385.257 4.355 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc(N3CCCCC3)nc1C)CC2=O 587473952 CXMLOOQJNWBQOE-QHCPKHFHSA-N 395.503 4.314 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(CC(C)C)c2ccccc21 587486828 MCMAUBBCQAMIDR-HSZRJFAPSA-N 379.456 4.208 0 1 GIAF O=C(CCCc1cc2c(O)nc(O)nc2nc1-c1ccccc1)c1ccccc1 587561127 LRYOUCPPQSZUIB-UHFFFAOYSA-N 385.423 4.309 0 1 GIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587570043 UICIPZZUOJFDMT-SIKLNZKXSA-N 380.371 4.417 0 1 GIAF COc1ccc(NC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587661552 ZUMQGDKBPSJTNZ-UHFFFAOYSA-N 389.386 4.291 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)N2CCCCCC2)N1 587765545 JWJPTMXMPADMPQ-DJJJIMSYSA-N 397.332 4.130 0 1 GIAF CCOC(=O)C[C@@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587796001 JWDZBLHEGYOKQE-BBATYDOGSA-N 386.305 4.317 0 1 GIAF COc1cccc2c1OCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587836335 SSWJVKKXWOUZAC-JEOXALJRSA-N 392.268 4.157 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(C(=O)OC)cn1 587859329 DQLHVKIEGCPICG-UHFFFAOYSA-N 392.242 4.426 0 1 GIAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 914431226 MENQCIVHHONJLU-LROSQUFUSA-N 398.565 4.422 0 1 GIAF CN(C)[C@H]1CN([C@H]2CCc3cccc(F)c32)C[C@@H]1c1cn(C)c2ccccc12 1772618741 XAWMNFFOVCNWGF-OIBXWCBGSA-N 377.507 4.334 0 1 GIAF O=C1N=CN(c2cccc(C(F)(F)F)c2)C12CCN(Cc1ccccc1)CC2 1857750466 NJXJNEMWCPUKKT-UHFFFAOYSA-N 387.405 4.115 0 1 GIAF COc1ccccc1CNC(=O)Nc1nc([C@H](N)CCc2ccccc2)cs1 61907067 YAJJEBGOPIURII-QGZVFWFLSA-N 396.516 4.106 0 3 GIAF CCc1nnc(S[C@H](CC)C(=O)NC2CCCC2)c2cc3oc(C)cc3n12 6894280 NDOHNZROFWCTEE-QGZVFWFLSA-N 386.521 4.276 0 1 GIAF O[C@@H]1C[C@@H](C(c2ccccc2)c2ccccc2)OC[C@H]1NCc1ccc(F)cc1 13648548 FLDLQCILZSMNPF-SMIHKQSGSA-N 391.486 4.266 0 1 GIAF CCO[C@]1(C)c2ccoc2C[C@H]2[C@H]1CC[C@@]1(O)[C@@](C)(C(=O)OC)CCC[C@]21C 36442855 ZHQLIGJFVLXIBU-HPXPNKTOSA-N 390.520 4.214 0 1 GIAF O=c1cc(-c2ccc(OCc3ccc(Cl)nc3)cc2)oc2cc(O)cc(O)c12 53298508 XUEQPCVMPXPGHK-UHFFFAOYSA-N 395.798 4.499 0 1 GIAF CCCCCN1C(=O)[C@]2(CCC(=O)c3cc4c(cc32)OCO4)c2ccccc21 71334044 LJJMIJUUHNZIGS-HSZRJFAPSA-N 377.440 4.215 0 1 GIAF Cc1cc(C)c2oc(=O)cc(CC(=O)Nc3nc4ccc(F)cc4s3)c2c1 71340391 MOTPOJKWYFSSEE-UHFFFAOYSA-N 382.416 4.340 0 1 GIAF COc1cc(CN(C)Cc2coc(-c3ccc(C)cc3)n2)cc(OC)c1OC 72186268 HJXSEYITYFJJJK-UHFFFAOYSA-N 382.460 4.308 0 1 GIAF COc1cc(CC[C@]2(OC(C)=O)CC[C@@H](C3CCCCC3)[C@H](O)C2)ccc1O 85627686 UAQWMSYZLIXKJA-WPYKKVEZSA-N 390.520 4.377 0 1 GIAF biogenic,in-vitro FCCOCCOc1ccc(CN2CCC3(CC2)OCc2ccccc23)cc1 95602203 FIWXOVYYRDDHQU-UHFFFAOYSA-N 385.479 4.073 0 1 GIAF COc1ccc(O[C@@H](C)C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 95603593 IVGPIXAITZGSKF-AWEZNQCLSA-N 389.411 4.304 0 1 GIAF Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(-c2ccc(N)cc2)s1 96927951 SDCMBIATJHKWGV-UHFFFAOYSA-N 391.496 4.450 0 1 GIAF CC(C)[C@H]1CC[C@@H](N2CCC3(CC2)[C@@H]2CNC[C@@H]2CN3c2ccccc2)CC1 101086650 BTSZJCYVNKFSMU-GBEXAXCTSA-N 381.608 4.392 0 1 GIAF Cc1cccc(-c2nnc(CSc3cnn(C(C)(C)C)c(=O)c3Cl)o2)c1 103216059 GKAKPNGBGSGIIV-UHFFFAOYSA-N 390.896 4.302 0 1 GIAF CCOC(=O)[C@@H]1C(=N)Oc2cc(O)ccc2[C@@H]1c1ccc(-c2ccccn2)cc1 169730682 CPEJKFZIWPWDCE-SFTDATJTSA-N 388.423 4.135 0 1 GIAF CCN(c1cccnc1)c1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1 222379935 WYLHMLXNDVQUDF-UHFFFAOYSA-N 383.455 4.069 0 1 GIAF COc1ccc2c(C)c(CCc3nc4cc(Cl)cnc4[nH]3)c(=O)oc2c1C 586918966 WCGJQZANYANZLT-UHFFFAOYSA-N 383.835 4.128 0 1 GIAF O=C(c1ccccc1)c1ccc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2c1 586924290 OJUGMXAUPGNUSJ-YPKPFQOOSA-N 388.448 4.239 0 1 GIAF CCCC(Br)(CCC)c1nc2nc(Br)c[nH]c-2n1 586971873 ZUQUKSFCHMEGDP-UHFFFAOYSA-N 376.096 4.257 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3ccc([C@@H](N)N=O)cc3[nH]2)[C@@H]1c1ccccc1Cl 587062118 TVRCHMWMIPHXTN-VMDGZTHMSA-N 397.866 4.017 0 1 GIAF Cc1c(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)cnn1-c1ccc(Cl)cc1 587075496 GVSKUHFTRPOQSF-UHFFFAOYSA-N 378.745 4.138 0 1 GIAF COc1ccc(-c2nc3cc(OC)c(C)cc3[nH]2)c(I)c1 587179903 IULXJMQWBQSEDC-UHFFFAOYSA-N 394.212 4.160 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(/C=C\c3ccc(N)cc3)nc2c1 587251419 GQKXWMYVEKJBEF-YVMONPNESA-N 386.249 4.255 0 1 GIAF CCOC(=O)[C@]1(c2ccc3ccccc3c2)CC(=O)c2cc(C)cc(N)c2O1 587398242 CZWDYNGWSBJGLT-HSZRJFAPSA-N 375.424 4.154 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc(OC)cc1)CC2=O 587479372 BUKBBFLNOJTATF-FQEVSTJZSA-N 378.428 4.450 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc(OC)cc1)CC2=O 587479374 BUKBBFLNOJTATF-HXUWFJFHSA-N 378.428 4.450 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(C(C)(C)C)cccc21 587480673 FVFJMMAGCICZNH-QHCPKHFHSA-N 379.456 4.455 0 1 GIAF CC(C)Oc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587587944 OTAXFQPQOHDMOJ-UGKGYDQZSA-N 377.396 4.277 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnn(-c3ccccc3)c2)N1 587761416 UFVFTMLVZAUWNG-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)nn2C)N1 587763906 NHBNITQSWSRRLO-DYZYQPBXSA-N 380.305 4.243 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2C(C)(C)C)N1 587765845 UOOZUUVGXFAWPL-HWPZZCPQSA-N 380.305 4.243 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3nc(O)oc3c2)N1 587778683 OHZAIJBXFFBNKK-NIVTXAMTSA-N 391.240 4.233 0 1 GIAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)cc1 587785084 LDLVRFZMNMPLQL-ZIAGYGMSSA-N 376.334 4.405 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cc3ccc[nH]3)[nH]2)N1 587790867 JJJOKZBLTHGMRG-JEOXALJRSA-N 388.284 4.459 0 1 GIAF COc1ccc(O)cc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587806273 JKRTZGQKTQQMMB-XTZNXHDOSA-N 380.257 4.100 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CC(=O)c2ccccc2O)N1 587830220 CCNPHISUHWGPML-JEOXALJRSA-N 392.268 4.316 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3ccccc3c2=O)N1 587839209 DTRJMGKNOSRRJL-MLCYQJTMSA-N 388.236 4.318 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2cc(OC)ccc2[nH]1 587872286 JKYYRFSNRGOZBW-UHFFFAOYSA-N 379.391 4.266 0 1 GIAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587960779 BPKLOZFXJXFDNO-JGVFFNPUSA-N 391.187 4.382 0 1 GIAF COc1cc2c(cc1OC)[C@](C)(C[C@H](CC(=O)O)c1ccccc1)N(C)[C@H](C)C2 962630060 RQDLGPJUFHXGRW-MTJJIEKYSA-N 397.515 4.444 0 1 GIAF CCOC(=O)C(C)(C)[C@]1(C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962643030 OXRUUKLUYXDYLX-BWKNWUBXSA-N 392.543 4.238 0 1 GIAF Cc1nc2ccccn2c1[C@@]1(C)c2cccc(F)c2CCN1[C@H]1CCSC1 962695824 FRQGRXPDHLYSCU-KSFYIVLOSA-N 381.520 4.409 0 1 GIAF CN1C(=O)C[C@@H]2CN[C@@](C)(Cc3ccc(OC(F)(F)F)cc3)c3cccc1c32 963038761 ZVDAUODZORTJDB-VLIAUNLRSA-N 390.405 4.096 0 1 GIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@H](c2scnc2Cl)N1 963169116 HALVUOYPJVOENV-VHSXEESVSA-N 397.205 4.157 0 1 GIAF COC[C@@H](N=c1nc[nH]c2oc(-c3ccc(OC)cc3)cc12)c1ccccc1 1772610437 VPVSYVCBEOTSJF-LJQANCHMSA-N 375.428 4.120 0 1 GIAF O=C(O)CCCCN1CCC(c2nc(-c3ccc4ccccc4c3)no2)CC1 1857560259 AOMVZTAMOZPSQC-UHFFFAOYSA-N 379.460 4.324 0 1 GIAF Cc1cc(N2CC[C@]3(CCN([C@H](C)c4cc5ccccc5n4C)C3)C2)nc(C)n1 1857562793 GJHZMSUVYCJCRY-KOSHJBKYSA-N 389.547 4.249 0 1 GIAF C[C@@H]1O[C@H](OCCCCCCCCCCCCCCC(=O)O)[C@@H](O)C[C@H]1O 2356345394 PWLVZSHZFIGCNL-JTJHWIPRSA-N 388.545 4.016 0 1 GIAF CC(=O)OCC=C(C)CC[C@@]1(C)[C@@H]2CCC=C(C(=O)O)[C@]2(C)[C@@H](O)C[C@H]1C 2356580680 VESVIOLXNFMXSV-BVMWXJQXSA-N 378.509 4.110 0 1 GIAF CC(=O)O[C@@H]1CC(C)=CCC[C@H](C)CC(=O)CC2=C[C@@H](OC2=O)[C@H]1C(C)C 2356625584 QWGSYRKRZRCPAG-DJJZHVJBSA-N 376.493 4.158 0 1 GIAF COC(=O)c1c(O)ccc2c1c1c(n2Cc2ccccc2)C(=O)c2ccccc2C1 1662847 PFHWETGRXRTEIN-UHFFFAOYSA-N 397.430 4.317 0 1 GIAF Cc1ccc2c(c1)N(CC(=O)N[C@H]1CCC[C@H](C)[C@H]1C)C(=O)c1cccnc1O2 15879075 BJSBMECVEKPDDO-JZXOWHBKSA-N 393.487 4.083 0 1 GIAF CN1C(=O)[C@@H](Cc2cccc(-c3ccccc3)c2)NC(=O)c2cc(Cl)ccc21 38268012 GCJJQBPYGHJOMS-HXUWFJFHSA-N 390.870 4.325 0 1 GIAF CCOc1nc(S(=O)(=O)c2ccccc2)cc(O)c1Oc1cc(C)cc(C)c1 40860165 JVDPRXJWWONPCZ-UHFFFAOYSA-N 399.468 4.428 0 1 GIAF CN(C)CCN(C)C(=O)c1cc(-c2ccncc2)c(-c2ccc(Cl)c(O)c2)o1 45320635 DYHNEEWCEZZVRN-UHFFFAOYSA-N 399.878 4.001 0 1 GIAF CC1(C)O[C@@]2([C@H]3CCC[C@H](Cc4ccc(O)cc4)C3)CC[C@@H]1[C@](N)(CCO)C2 85543236 YENLEYLOULYBJW-MQNDFZGFSA-N 387.564 4.169 0 1 GIAF biogenic,in-vitro COc1ccc2cc1COC/C=C/COCc1cccc(c1)-c1ccnc(n1)N2 95572250 NVVRIZGTMNCPSN-NSCUHMNNSA-N 389.455 4.499 0 1 GIAF NC1=N[C@](c2ccc(OC(F)F)cc2)(c2cccc(-c3cccnc3F)c2)CO1 95577624 ZRSKBWQUUIETSK-OAQYLSRUSA-N 399.372 4.078 0 1 GIAF CC(C)CCO[C@@H]1C[C@@H]2CN(c3ccc(OCC(F)(F)F)cc3)C(=O)N2C1 96168558 FMBFDQZIUNKYPJ-NVXWUHKLSA-N 386.414 4.073 0 1 GIAF O=Cc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1 96269560 QGWSVGFYCOWDJT-UHFFFAOYSA-N 394.478 4.436 0 1 GIAF O=C1NC(=O)/C(=C/c2ccc(OCCOC3CCCCC3)cc2Cl)S1 96282306 MCXQGSDJAYKXQT-YBEGLDIGSA-N 381.881 4.392 0 1 GIAF CC(C)(C)C(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)cn2)cc1 96908531 MFXYOSBJDNKINO-UHFFFAOYSA-N 377.897 4.450 0 1 GIAF NC(=O)c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113654034 GGNJMPIPRZOFQC-UHFFFAOYSA-N 382.467 4.105 0 1 GIAF CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)OCO2 142417119 STJQLXDEMOVEBG-CQSZACIVSA-N 382.243 4.196 0 1 GIAF COC(=O)C[C@H]1[C@@H](Cc2ccccc2)C[C@H]2[C@@H](Cc3ccccc3)C[C@H]1N2C 169372253 XXQUTIIQIQULCG-QCCYXRBGSA-N 377.528 4.360 0 1 GIAF COc1cc(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)ccn1 205651397 HYKURPVCXQRZHF-UHFFFAOYSA-N 387.414 4.134 0 1 GIAF Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4cccs4)cc3=O)cn12 223420644 UMRRNSMTKIQNLN-UHFFFAOYSA-N 377.469 4.312 0 1 GIAF Cc1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4cccc(C)c4C)cc3)nc2n1 586947002 HYDJARRZBGCCQS-UHFFFAOYSA-N 392.484 4.351 0 1 GIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C(F)(F)F)ncc2[nH]1 586973957 SJDRYUWEWSBONR-OAHLLOKOSA-N 394.422 4.087 0 1 GIAF Clc1nccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 586999861 CQUQOWSOQYCTAO-UPHRSURJSA-N 392.640 4.315 0 1 GIAF O=C(Nc1sc2c(c1-c1nc3ncncc3[nH]1)CCC2)c1ccccc1Cl 587030665 IKDQVXWEIIENFR-UHFFFAOYSA-N 395.875 4.476 0 1 GIAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587070114 PTEWATIQTGPLAI-OAHLLOKOSA-N 397.906 4.425 0 1 GIAF FC(F)=C(C[C@@H]1CCCN1)c1nc2c(Cl)c(Br)cnc2[nH]1 587087193 BRQSXIKBLHSMKM-LURJTMIESA-N 377.620 4.124 0 1 GIAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587093372 DBJVDKUCTGRIFQ-RXMQYKEDSA-N 389.683 4.245 0 1 GIAF COC(=O)c1ccnc2[nH]c(-c3ccc(C(F)(F)F)cc3C(F)(F)F)nc12 587095152 QUUWKUYLFHWVRH-UHFFFAOYSA-N 389.255 4.449 0 1 GIAF O=C(N[C@H](c1ccccc1)c1nc2cc(C(F)(F)F)cnc2[nH]1)c1ccccc1 587222511 ZRGNFIAEDAMMDH-QGZVFWFLSA-N 396.372 4.496 0 1 GIAF C[C@@H]1CCCN(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 587347216 UBUDUEFLUSHARH-YCASGBEESA-N 383.463 4.381 0 1 GIAF COC(=O)C[C@]1(C2CCCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354555 UYKHGPIFYIIOKY-FYYLOGMGSA-N 398.430 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(CC(=O)OC(C)C)c3ccccc13)O2 587391452 RMYWBJFQWSKRRX-OAQYLSRUSA-N 392.455 4.190 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(C45CC6CC(CC(C6)C4)C5)n[nH]1)[C@@H](C2)C3=O 587438439 FPJPTEIMVMVYSE-UBMUJYBGSA-N 390.483 4.375 0 1 GIAF CCCCN1C(=O)[C@]2(CC(=O)c3ccc(O)c(CCC)c3O2)c2ccccc21 587485695 JUTVEYXYNZYVGF-QHCPKHFHSA-N 379.456 4.352 0 1 GIAF COc1ccc(Br)nc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496514 HSTYLMGJWLNMGW-INIZCTEOSA-N 388.261 4.438 0 1 GIAF C=CN1CC[C@@H]([C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587512949 GXJOFSHRBCLZIC-PXDATVDWSA-N 387.479 4.418 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1nc(Cl)ccc12 587551768 JJFQENKBNKASLD-NQIIRXRSSA-N 379.799 4.244 0 1 GIAF CCCCCn1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587578517 APGSIFMBJLIMFP-UGKGYDQZSA-N 378.428 4.482 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc(N)cc32)N1 587746795 OAYGKZROJQTJEJ-JEOXALJRSA-N 375.285 4.285 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2OCCCO3)N1 587835237 OLUJXVDOEVOMRX-ZMZPIMSZSA-N 392.268 4.373 0 1 GIAF CCSc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587842011 CXNWFFGIOVADTG-VFZGTOFNSA-N 382.302 4.114 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2scc3c2OCCO3)N1 587851724 IWQFEYIGUPIMBE-XLFHBGCDSA-N 398.297 4.219 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccccc1O 587864749 OKAAHRLNIONSSU-UHFFFAOYSA-N 376.334 4.362 0 1 GIAF Cc1cc(OCCn2c(O)cc(CCC(=O)O)c2O)c(C(C)C)cc1Cl 587942830 BMIDMDLOCUVCHF-UHFFFAOYSA-N 381.856 4.081 0 1 GIAF CCOC(=O)CCCCC[C@@]1(c2ccsc2)NCCc2nc3ccccn3c21 962982789 KMYGDNUCEOSOSC-QFIPXVFZSA-N 397.544 4.299 0 1 GIAF COc1cccc2cc3c(nc12)[C@H](c1coc(-c2cccc(F)c2)n1)NCC3 963060227 RWXVTHWORMPJRX-NRFANRHFSA-N 375.403 4.273 0 1 GIAF O=C1CCc2cc(NC(=O)C[C@]3(O)CC[C@@H](Cc4ccccc4)CC3)ccc2N1 1772630387 XTENERRQQYKXGN-OWWJJEGGSA-N 392.499 4.064 0 1 GIAF c1ccn(-c2ccnc(Nc3ccc(OCCCN4CCCCC4)cc3)n2)c1 1857573499 FKXBZNNIWKOOJA-UHFFFAOYSA-N 377.492 4.266 0 1 GIAF CCOC(O)=C(c1nc2ccccc2[nH]1)n1c(-c2cnccn2)nc2ccccc21 1857743019 CUGNUXRMXRKNSX-UHFFFAOYSA-N 398.426 4.139 0 1 GIAF Cc1ccc(C(=O)N2N=C(c3ccc(F)cc3)C[C@]2(O)c2ccc(F)cc2)cc1 1857768735 PGUSDHMWTYCSQT-QHCPKHFHSA-N 392.405 4.369 0 1 GIAF CCC[C@H]1[C@@H](NC(=O)c2cccc(C)c2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205712241 XYMCYULTDBSCEY-MDAIXWLXSA-N 382.548 4.465 0 3 GIAF CC(C)N(C[C@@H](O)COc1ccc(O)cc1C(=O)CCc1ccccc1)C(C)C 13529370 JSNDCQGRLFHLCA-OAQYLSRUSA-N 399.531 4.066 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4C(=O)c4ccc[nH]4)[C@H]3CC[C@@H]12 26390270 ADCZPIWAYHWQLK-UAVMXWPGSA-N 380.532 4.453 0 1 GIAF CNCCCCOc1ccc(OC)cc1[C@@H]1Sc2ccccc2N1C(C)=O 28006031 UMUOAHYADICHJL-NRFANRHFSA-N 386.517 4.231 0 1 GIAF COc1ccc2nccc(CCNC(=O)c3ccc(OC(F)(F)F)cc3)c2c1 29040722 APUOEYFZAAASNX-UHFFFAOYSA-N 390.361 4.115 0 1 GIAF C[C@@H]1CC[C@H](C(=O)Nc2ncc(SCc3ncc(C(C)(C)C)o3)s2)CN1 40846457 QALGDBRHRSNPSF-NEPJUHHUSA-N 394.566 4.048 0 1 GIAF CC(C)CNC(=O)c1cncc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1 45191225 XVZUHZGJXINFOT-UHFFFAOYSA-N 399.538 4.391 0 1 GIAF CC(=O)Nc1cccc(-c2ccc(Cc3ocnc3C(=O)NC(C)C)cc2)c1 62154004 NDIFEZXPYWKJAX-UHFFFAOYSA-N 377.444 4.029 0 1 GIAF CN(C(=O)c1ccc(F)cc1)[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1 169322551 IERRJLVIHSSJAA-UTKZUKDTSA-N 377.463 4.141 0 1 GIAF N=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(=N)cc4)cc3)cc2)cc1 169716369 IYAXZUKBKWGOOG-UHFFFAOYSA-N 394.522 4.130 0 1 GIAF CC(C)c1ncc(NO)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 169719093 FOSGWQPPVVDZML-UHFFFAOYSA-N 383.292 4.109 0 1 GIAF O=C(Nc1ccccc1F)c1ccc(-n2c(O)c3c(c2O)[C@H]2C=C[C@@H]3C2)cc1 169721966 IWJYSRJQRGOBPQ-OKILXGFUSA-N 376.387 4.421 0 1 GIAF CCCCCCN1C[C@@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(OC)cc1 195398155 ZRFBSEQPZCOTTA-ZLNRFVROSA-N 398.551 4.093 0 1 GIAF COc1ccccc1C(=O)NC[C@@H](CC1CC1)c1ccc(C(F)(F)F)nc1 207684335 DZWUVSYGHZYLJU-OAHLLOKOSA-N 378.394 4.423 0 1 GIAF C/C=C/c1cc(OC)c(O[C@H](C)Cc2cc(OC)c(O)c(OC)c2)c(OC)c1 238782983 INGQOQQCQKLKSZ-HSBSLETESA-N 388.460 4.470 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885489 VECTUOXYWILHAI-VNZIUOITSA-N 375.266 4.491 0 1 GIAF CCCCOc1cc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2cc1Br 586907115 SDQHSVSQYHPXKJ-SNVBAGLBSA-N 381.270 4.313 0 1 GIAF Cc1cccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c12 586946904 VDTDXSQWMJZFNJ-UHFFFAOYSA-N 389.527 4.140 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587189327 BJYXSQSCXKKZSZ-KRWDZBQOSA-N 399.422 4.357 0 1 GIAF CC(C)(C)C(=O)N=c1cc[nH]cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514989 ZIFHBUDFWZFLJR-FQEVSTJZSA-N 378.472 4.073 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCN(c1ccccc1)CC2 587580820 DTSOPYCLKSLITA-NRFANRHFSA-N 387.435 4.393 0 1 GIAF Cn1cc2c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc2n1 587584023 YKPVUOMWYYMECP-NZQKXSOJSA-N 386.407 4.156 0 1 GIAF CN(CCc1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12)N=O 587623588 XBBSXDBGGDLCBG-UHFFFAOYSA-N 399.252 4.024 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C(F)(F)F)nc2)N1 587710144 BVNDBFMLBVBMNI-FUXBKTLASA-N 390.178 4.021 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2c2cncnc2)N1 587780003 XHCYTTWGFIRVAD-PEELUZDISA-N 390.300 4.466 0 1 GIAF Cc1nc2ccccc2nc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587780299 ZYCOVSAXTCKSFF-APBUJDDRSA-N 386.268 4.463 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC(=O)Nc3ccccc32)N1 587794662 PFNQTZOPXZZDBH-NSPYISDASA-N 389.268 4.098 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C[C@H]1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587798948 QFWIPHVPOFESLN-VQTVZGMASA-N 398.316 4.317 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(C(=O)O)C3(C)C)N1 587825464 DSNYMPOKHZHACI-DBCMIRFJSA-N 396.300 4.229 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(C(F)(F)F)nc1 587868817 TZDLYJUEDCBZLQ-UHFFFAOYSA-N 388.271 4.376 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C(F)(F)F)nn1CC 587870576 DJHOCSBJTGOXEE-UHFFFAOYSA-N 396.344 4.012 0 1 GIAF CCOC(=O)[C@@]1(C2CCCC2)NC2(CC2)Cc2ccc(Br)cc21 961326199 RQMLMUVPUZSLNM-IBGZPJMESA-N 378.310 4.076 0 1 GIAF COc1cc2c(cc1OC)[C@@H](c1cn(-c3ccccc3)nc1C)N(C)[C@@H](C)C2 962574949 QMVQPKGKUKGOJW-WNSKOXEYSA-N 377.488 4.164 0 1 GIAF COC(=O)c1cc(-c2ccc([C@H]3NCCc4c(C)ccnc43)o2)ccc1Cl 963072743 NJFDUUKLMIMTMZ-HXUWFJFHSA-N 382.847 4.325 0 1 GIAF O=C1[C@H](N2CCC[C@H](c3ccc(O)cc3)C2)CCCN1Cc1ccc(Cl)cc1 1772631190 LUTJNLKVMPYVLM-SIKLNZKXSA-N 398.934 4.416 0 1 GIAF COc1cc(-c2nc(-c3cc(C)nc(C)c3)c3n2C[C@@H](CF)OCC3)ccc1C 1772644490 BNZGLJHONLPBSQ-LJQANCHMSA-N 395.478 4.457 0 1 GIAF CC=Cc1ccc(O[C@H](C)C(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)c1 2356338340 UWSPBGKTPVZWIB-CQSZACIVSA-N 386.444 4.404 0 1 GIAF O=C(c1cc2ccccc2[nH]1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 2356608861 WBRTWSCEFCHASR-DHNNRRLOSA-N 375.516 4.203 0 1 GIAF CCCCCOc1c(OC)ccc2cc(C(=O)NCc3ccccc3)c(=O)[nH]c12 13683944 MQVLPPCWRNOADO-UHFFFAOYSA-N 394.471 4.036 0 1 GIAF CCc1cc(CC)cc(-c2cc3cnc(N)nc3nc2NC(=O)NC(C)(C)C)c1 14944704 JLZJVFRHDHKOBW-UHFFFAOYSA-N 392.507 4.319 0 1 GIAF CC(=O)N1CCN(CCCCOc2ccccc2/C=C/c2ccccc2)CC1 27728803 YYLUBRZHMOTPTE-BUHFOSPRSA-N 378.516 4.180 0 1 GIAF O=C(O)[C@H]1CCCN1CCOc1ccccc1Sc1cccc(Cl)c1 40565860 CRPCVIZDPFMVRL-MRXNPFEDSA-N 377.893 4.419 0 1 GIAF CCN(C(=O)c1ccc2c(c1)CCO2)c1ccnc(N[C@@H](C)c2ccccc2)n1 49112703 OMIHEUWYLBJDBM-INIZCTEOSA-N 388.471 4.251 0 1 GIAF CCN(CC)c1nc(NCc2ccccc2F)nc(Oc2ccc(OC)cc2)n1 82066199 ROPNGUBHCCMIHT-UHFFFAOYSA-N 397.454 4.270 0 1 GIAF CCCCCNc1ncnc2c1nc(-c1ccoc1)n2CC[C@H]1CCCN1C 82186311 BTHBGUNFEMSKKX-QGZVFWFLSA-N 382.512 4.173 0 1 GIAF CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(C5CCCC5)cc34)cn2)CC1 96274055 HPICROCBVWXEME-UHFFFAOYSA-N 393.491 4.115 0 1 GIAF O=C1OCC(OCCOC(=O)c2ccc(Cl)c(Cl)c2)=C1c1ccccc1 96914290 IMYUTMRKFOKWAQ-UHFFFAOYSA-N 393.222 4.135 0 1 GIAF COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCC3)[C@@H]2C)OCO4)c1OC 105518526 GWPIAAOPZQZVTR-LMIFWLCCSA-N 397.471 4.015 0 1 GIAF CCc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2Cc1nnnn1C 148085010 AAOCDRFZTUYTKS-PIUAGCHGSA-N 380.536 4.193 0 1 GIAF Cc1ccc(-c2cccc3nn(CCc4ccc5ccccc5n4)c(=O)n23)cc1 148088346 SCPQSVKZPWUYHV-UHFFFAOYSA-N 380.451 4.262 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4C=C(O)[C@@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@]12C 253633988 LNBRDPIYZGBLLR-DPKLYAQMSA-N 384.564 4.466 0 1 GIAF CCn1c(-c2ccc(Oc3ncccc3C(F)F)cc2C)c(C)c(O)nc1=O 261074079 AQJVLUHOWZSSPW-UHFFFAOYSA-N 387.386 4.378 0 1 GIAF COc1cc(/C=C/c2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1Br 586978001 VZFPQHKZIXXARJ-HWKANZROSA-N 385.221 4.086 0 1 GIAF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4ncccc4[nH]3)n2n1 587120478 KSYDFNFDODFRSU-UHFFFAOYSA-N 380.333 4.353 0 1 GIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nccc(Br)c2[nH]1 587147231 HKOQGHBETBPLLW-UHFFFAOYSA-N 390.191 4.066 0 1 GIAF COC(=O)c1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2n1 587159258 VWLWFNUAHWLBOO-UHFFFAOYSA-N 375.359 4.030 0 1 GIAF CCOC(=O)C1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCC1 587347600 LQATVRSPBGWQGG-UGKGYDQZSA-N 398.430 4.382 0 1 GIAF CCCCCS(=O)(=O)c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587407558 ARKAMFSOIRUICK-HXUWFJFHSA-N 387.501 4.248 0 1 GIAF CCOc1ccc(-n2cccc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587431070 MJDQFFDHJAQCML-JPYJTQIMSA-N 375.424 4.373 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1O[C@@H]1c1ccccc1)[C@@H](C2)C3=O 587447714 DHIGNZBVYMVYHN-CTZQYXLCSA-N 384.431 4.478 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H]([C@H](Cc1ccccc1)C(=O)OCC)CC2=O 587480563 LDFAVODEWXJYQY-GHTZIAJQSA-N 382.456 4.101 0 1 GIAF CCCn1nc(C)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587584230 ZBGWAGZMKFMKBE-DENIHFKCSA-N 378.428 4.318 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2nc1O 587588349 SWWUNIOKXSYPOZ-SIKLNZKXSA-N 385.375 4.349 0 1 GIAF Cc1cc2c(cc1[C@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCCO2 587606842 FGSRFXXPPILYNM-NZQKXSOJSA-N 390.391 4.175 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(N)c(F)c2)N1 587723914 ZCWYBENUMFTHCL-WNWIJWBNSA-N 385.227 4.246 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3nc(F)ccc23)N1 587737915 IFLJNBZDEMVFSS-PWJLMRLQSA-N 378.220 4.227 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCN2C(=O)OC(C)(C)C)N1 587760451 JZSTZXSRGIGXGS-HPEXNQPKSA-N 399.304 4.173 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2c2cncnc2)N1 587777989 KNQXJRYPOINBOA-YFROIQMUSA-N 390.300 4.466 0 1 GIAF COc1ccc2[nH]nc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2c1 587799136 WMZKLIOFOCJFJP-DYBLOJMWSA-N 390.256 4.097 0 1 GIAF COc1cccc(OC)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587808899 REHVEVQVMGMIMS-MLCYQJTMSA-N 380.257 4.229 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O)N1 587820358 BFTCQPQQBTXCEJ-MKXDMCDGSA-N 382.317 4.135 0 1 GIAF CC(=O)[C@H](Sc1ncccn1)[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962670093 UQAYXOLJBQFXTN-GMAHTHKFSA-N 389.524 4.254 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962710036 PBPCOIMGLTWFDG-FWJAZRMLSA-N 391.552 4.384 0 1 GIAF CC(C)c1nn(C)c2c1[C@]1(C[C@H](c3cccc(O)c3)Oc3ccccc31)NCC2 962918971 OJCUGOPSQHMBEH-ZJSXRUAMSA-N 389.499 4.162 0 1 GIAF C[C@@]1(c2c[nH]c3c(Br)cccc23)NCCc2c(C(=O)O)cccc21 963148835 OQEGQRJPECLFOJ-LJQANCHMSA-N 385.261 4.038 0 1 GIAF O=C(Cc1ccc(-c2cccc(C3CCNCC3)c2)cc1)NCc1ccccn1 1772620002 VTSJOLVNQBQSQW-UHFFFAOYSA-N 385.511 4.075 0 1 GIAF CCN(CC)c1ccnc(Nc2ccc(OCCCN3CCCCC3)cc2)n1 1857543508 DINFUWRALCLRAD-UHFFFAOYSA-N 383.540 4.321 0 1 GIAF CC(=O)O[C@@H]1CCC(C)=C[C@@H]2OC(=O)C(C)=C2CCC(C)=CCC[C@]1(C)O 2356329503 GLGCSFHERWMYPP-VWPQPMDRSA-N 376.493 4.158 0 1 GIAF CC1(C)O[C@@]2([C@@H]3C[C@H](CC4=CN[C@H](N)C=C4)CC4(CCCC4)C3)CC[C@H]1[C@H](N)C2 2356854514 RPPQUXFVGMMGJK-JSVXCENOSA-N 399.623 4.356 0 1 GIAF COc1ccc2cc3cc(C(=O)N4CCN(C5CCCCC5)CC4)oc3nc2c1 4908386 IVASJMPHSUNMKK-UHFFFAOYSA-N 393.487 4.080 0 3 GIAF COCCc1ccc(O[C@@]2(C)CCN(Cc3cccn3-c3nccs3)C2)cc1 61903445 DKCBWBOBXVOPKC-QFIPXVFZSA-N 397.544 4.166 0 3 GIAF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)N5CCOCC5)[C@@H]4CC[C@]3(CC1=O)C2 61959361 XMRZFKRYGMRYPA-QCIYFODSSA-N 387.564 4.217 0 3 GIAF N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1n[nH]c2ccccc12 14957799 TWJUFZKEWNZWDF-FQEVSTJZSA-N 395.466 4.122 0 1 GIAF C[C@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(F)cc4)c3)C(=O)[C@@H]2C1 17988104 KOTBWDRIGYCGAH-FASAQXTFSA-N 380.419 4.004 0 1 GIAF NC(=O)[C@H](NC(=S)Nc1ccccc1Cl)c1c(Cl)cccc1Cl 26375671 UQZDCXCJKXHNGZ-CYBMUJFWSA-N 388.707 4.160 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26388468 UVYBXVJYKDNRLY-YGFLYALUSA-N 386.580 4.460 0 1 GIAF CSc1cc(C(F)(F)F)nn1-c1ccc(NC(=O)c2ccncc2F)cc1 26745229 WMISWMZORYUVPP-UHFFFAOYSA-N 396.369 4.399 0 1 GIAF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1 28124826 AOAZPUWLTLFVEI-OZVVPTBGSA-N 375.268 4.036 0 1 GIAF CCOC(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1Nc1ccc(O)cc1 28397198 DNSJTVSEDAQBPT-UHFFFAOYSA-N 388.427 4.355 0 1 GIAF O=S(=O)(Nc1nc2cc(Cl)ccc2o1)c1ccccc1Br 36241893 ZMIACWCSMIWIOZ-UHFFFAOYSA-N 387.642 4.045 0 1 GIAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 43204908 PCUQHNTZXLPGNX-GVMRPCBKSA-N 381.564 4.433 0 1 GIAF CC(=O)N1N=C(c2ccc3c(c2)OCCO3)O[C@@H]1c1ccc(Cl)cc1Cl 73198545 BRDNPFUFBRIAKB-GOSISDBHSA-N 393.226 4.004 0 1 GIAF COc1cccc(CNc2cc(Oc3cccc4cccnc34)ncn2)c1OC 82067669 JEHMWJUHAKKTCT-UHFFFAOYSA-N 388.427 4.446 0 1 GIAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1cc2ccccc2nc1Cl 100028554 GERALLWYAGRSED-VXNZKSKFSA-N 386.835 4.309 0 1 GIAF Cc1cc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)ccc1N1CC[C@H](N2CCC[C@@H]2C)C1 101706556 AEONKHQDKWWIPC-DMPNSMEDSA-N 381.564 4.433 0 1 GIAF O=C(Nc1cc(Cl)ccc1Oc1cccc(O)c1)c1cnn2cccnc12 113652850 ZBLRMPVMOLWBFX-UHFFFAOYSA-N 380.791 4.133 0 1 GIAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(CO)cc3)o2)[C@@H](C)O)c(C)c1Cl 143524594 RAUKEGIXFYGACW-KZULUSFZSA-N 398.850 4.276 0 1 GIAF COc1ccc(-c2cccc(-c3cc(OC)c(OC)c(OC)c3)n2)cc1OC 169312268 AAIHRBLQQNUDIW-UHFFFAOYSA-N 381.428 4.459 0 1 GIAF Cc1ccc([C@@H]2C[C@H](n3cc(C4CC4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 169355926 XPINCFKWHIFHMC-HJOGWXRNSA-N 394.563 4.393 0 1 GIAF Cc1ccc([C@H]2C[C@@H](O)[C@@H](n3cc(C4CC4)nn3)CN2CC2CCCCC2)cc1 169365876 QFKTVSIMNBHXAU-TZRRMPRUSA-N 394.563 4.393 0 1 GIAF O=C1c2cc(-c3ccc(C(F)(F)F)cc3)ccc2OCCN1Cc1ncccn1 206198736 XOFKKGMAEWHODX-UHFFFAOYSA-N 399.372 4.197 0 1 GIAF Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(C(C)C)c(=O)c2)nc1 209437401 WWRJRNKXDIDGKJ-MOPGFXCFSA-N 390.487 4.081 0 1 GIAF CC(C)(NC(=O)c1nn(Cc2ccc(F)cc2)c2c1C[C@H]1C[C@@H]21)c1ccccc1 299841314 ZDRAZCDBPCODBH-VQIMIIECSA-N 389.474 4.395 0 1 GIAF COc1ccc(C=O)c2cc(-c3nc4c(O)c(Br)ccc4[nH]3)oc12 586903688 LJNGWAWJSKLHAU-UHFFFAOYSA-N 387.189 4.265 0 1 GIAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Br)c(C)nc2[nH]1 586964114 UZDVQDZXODNQJK-NSHDSACASA-N 394.298 4.076 0 1 GIAF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc4ncccc4c3[nH]2)cs1 587014095 KDLRYMNPIWBYII-UHFFFAOYSA-N 381.461 4.259 0 1 GIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 587044699 PLLTVZYDHWSBNX-UHFFFAOYSA-N 385.178 4.391 0 1 GIAF Cc1ccc2c3c(cc(C4CCS(=O)(=O)CC4)nc13)-c1ccccc1C2=O 587101549 HEVPYIYJWCOTFO-UHFFFAOYSA-N 377.465 4.047 0 1 GIAF Clc1cnc2[nH]c(/C=C/c3cccc(I)c3)nc2c1 587185109 XBRBACWFTURHMV-SNAWJCMRSA-N 381.604 4.386 0 1 GIAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccnc(Cl)c4[nH]3)c2)c1 587232378 RYOHPVDEWVHOHB-UHFFFAOYSA-N 376.847 4.229 0 1 GIAF COc1cnccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339620 QUTFVJWDANDQIC-IFMALSPDSA-N 379.387 4.209 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1ccc(F)cc1F)CC2=O 587466329 KYQNRUUXFFGBQN-OAQYLSRUSA-N 389.398 4.376 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](CCCNC(=O)OCc1ccccc1)CC2=O 587470412 MPFJUDBBWNYPPT-KRWDZBQOSA-N 397.471 4.385 0 1 GIAF Cc1cc(C(=O)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587559636 YIYLALHDWXFVDH-AVRDEDQJSA-N 378.355 4.053 0 1 GIAF Cn1ncc2cc(F)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587567257 COMUOQAOBYKHIM-DENIHFKCSA-N 390.370 4.121 0 1 GIAF CC(=O)c1[nH]c(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587586135 BNRBFWWRSLNLJF-CVDCTZTESA-N 391.423 4.417 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2)[nH]n1 587596221 PVYWWDBWPUISDK-OFNKIYASSA-N 384.391 4.485 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CCc1ccc2c(c1)CCO2 587608297 JWOJQFHUZPRESA-UNMCSNQZSA-N 388.419 4.290 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCOc3cccc(F)c32)N1 587738401 ODISUIPDEFYFDV-MLCYQJTMSA-N 380.232 4.288 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C[C@@H]2CCCO2)N1 587752380 CNQPABZNOVXMBU-SPKLELGKSA-N 393.300 4.192 0 1 GIAF COC(=O)[C@@H]1CCCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587805610 IBMTTXCGFQUEBN-FNFWKMNBSA-N 384.289 4.071 0 1 GIAF CC(=O)C[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587812180 ITBZRRAATOGWPP-BLVKFPJESA-N 376.269 4.345 0 1 GIAF CC[C@]1(Cc2nc3cncc(Br)c3[nH]2)CC(=O)c2ccccc2C1 587960971 OVKRKVZPITXTKI-LJQANCHMSA-N 384.277 4.488 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@H](c2ccc(O)c(Cl)c2Cl)N1)C(F)(F)F 962768636 RLHMPMVKQACUCC-XHDPSFHLSA-N 390.188 4.434 0 1 GIAF Cc1cc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cnc1C 962961291 RMYJPCYFHYWMLO-LJQANCHMSA-N 376.422 4.458 0 1 GIAF Fc1ccc([C@]2(Cc3ccc(F)c(F)c3)NCCc3nc4ccccn4c32)cc1 962984949 OSCRKGPOCUPDAN-QHCPKHFHSA-N 393.412 4.384 0 1 GIAF Cc1ccccc1NC(=O)c1c(NC(=O)C(O)(F)F)sc2c1CCCCC2 1772597366 GJXKUFXTCDRXBW-UHFFFAOYSA-N 394.443 4.101 0 1 GIAF Cc1cccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2cccc(C)c2)C(=O)C3)c1 1857639986 QRHIIIKMYDTQEI-UHFFFAOYSA-N 398.462 4.281 0 1 GIAF Cc1ccc2c(c1)C(=O)N([C@@H](CC(=O)O)c1ccc(-c3ccccc3)cc1)C2=O 1857645033 YVXSKTUGUHWULX-NRFANRHFSA-N 385.419 4.474 0 1 GIAF COC(=O)CC[C@]1(C)C2=C(CC[C@@H]1[C@H](C)O)[C@@H]1CC[C@@H](C(C)=O)[C@@]1(C)CC2 2356558475 AYPDMGOMQQLQMP-DAGGZPEKSA-N 376.537 4.449 0 1 GIAF COc1cc(C(=O)c2sc(-c3ccsc3)cc2N)cc(OC)c1OC 35065305 TYFSZVRCFYJMES-UHFFFAOYSA-N 375.471 4.316 0 1 GIAF O=C1OCC2=C1[C@H](c1cc(Cl)cc(Cl)c1)c1cc3c(cc1O2)OCO3 40404752 OJGVMWPMWZAEEV-MRXNPFEDSA-N 377.179 4.057 0 1 GIAF Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2ccncc2)c2cccnc12 40866152 IUMHLAGWWNQZDQ-UHFFFAOYSA-N 399.385 4.177 0 1 GIAF COc1cc(NC(=O)c2nccs2)ccc1NC(=O)c1ccccc1Cl 66077351 JXIFIARMNWESKW-UHFFFAOYSA-N 387.848 4.310 0 1 GIAF Cc1ccc([C@@H]2C[C@@H](O)[C@H](n3cc(C4CC4)nn3)CN2CC2CCCCC2)cc1 72140772 QFKTVSIMNBHXAU-RBZQAINGSA-N 394.563 4.393 0 1 GIAF CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccncc4)cc3)cc2)CC1 96273162 RIFLCDPHPIHWOH-UHFFFAOYSA-N 386.499 4.143 0 1 GIAF C[C@H]([C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3[C@H](F)C(=O)[C@H]4C[C@@H](F)CC[C@]4(C)[C@H]3CC[C@@]21C 118921478 OHJHLSTVMBMCLQ-KUIMPPNASA-N 398.534 4.100 0 1 GIAF O=C1[C@@H]2[C@@H](C(=O)N1c1cccnc1)[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 137771921 BIHLYZJZNSJIGJ-MLCQCVOFSA-N 380.447 4.325 0 1 GIAF Cc1cc2c(cc1-c1cnc(NC(=O)c3ccncc3F)s1)OC(F)(F)O2 142681650 UMXYVWPMDRFJPE-UHFFFAOYSA-N 393.346 4.226 0 1 GIAF O=C(O)Cc1ccc(Nc2nc(-c3cccc(Cl)c3)nc(C3CC3)n2)cc1 143245588 CJQFUKZLNADPJB-UHFFFAOYSA-N 380.835 4.440 0 1 GIAF in-vitro CC1(C)O[C@H]2C3=C([C@H]2O1)[C@@H](c1ccccc1)[C@H](C1(O)CCCC1)/C=C/C=C3CO 169296514 VMCWPULFQCTDQB-ZWOJBITASA-N 394.511 4.010 0 1 GIAF CCOC(=O)N1CC[C@@]2(c3ccccc3)C[C@H]1Cc1ccc(OC(C)=O)cc12 169320479 KKHRCOVGJDZBRV-XXBNENTESA-N 379.456 4.075 0 1 GIAF CN(Cc1ccc(Cl)cc1)C(=O)[C@]1(C)CCN1C(=O)c1ccc2occc2c1 204959456 UBYDAWUNNQAMLO-QFIPXVFZSA-N 396.874 4.349 0 1 GIAF Cc1cc(Br)cc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 586913069 LRIAWRKWCPETBG-UHFFFAOYSA-N 387.277 4.436 0 1 GIAF Cc1cc2nc(/C=C\S(=O)(=O)c3ccccc3)[nH]c2cc1Br 586925115 FXHPXSSDYUEGGX-FPLPWBNLSA-N 377.263 4.078 0 1 GIAF Cc1cnc2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 586967173 YQDIGCWNPBENHL-UHFFFAOYSA-N 376.489 4.076 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2([C@H]3CCO[C@H]3C23CCC3)[C@H]1c1ccc(F)cc1 587355165 CPGQLYZFDJXXBV-DFPDZIMCSA-N 380.415 4.218 0 1 GIAF Cc1nc2c(C)cccc2c(Cl)c1CCc1ccc2c(O)nc(O)nc2n1 587369250 WYWRMPGFFVEBKF-UHFFFAOYSA-N 380.835 4.040 0 1 GIAF CCOC(=O)C[C@]1(c2ccc(Cl)cc2F)CC(=O)c2cc(C)cc(N)c2O1 587385749 PSTGSBFWAWGGRV-FQEVSTJZSA-N 391.826 4.184 0 1 GIAF CCOC(=O)c1[nH]c2c(c1C)[C@]1(CC(=O)c3cc(C)cc(N)c3O1)CC(C)(C)C2 587396032 ISOSGOWUTNRJRL-QHCPKHFHSA-N 396.487 4.224 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(F)c(F)c(C=O)c(F)c1F)CC2=O 587465281 GKZRJIMLFPHXQG-ZDUSSCGKSA-N 382.309 4.420 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2ccc(N)cc21 587472541 JKDIGBSDDNPDHY-RUZDIDTESA-N 399.446 4.380 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(OC[C@H]3CO3)cc1)CC2=O 587482223 DBVWRYCFWHDQEN-SBUREZEXSA-N 382.456 4.393 0 1 GIAF CN(C)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587572693 PXOVPDXOXYUYMR-NFBKMPQASA-N 375.424 4.335 0 1 GIAF CC[C@@]1(c2c(C)nn(C)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583359 VNUWVRWIPNFYLT-UGKGYDQZSA-N 378.428 4.010 0 1 GIAF Cc1nc2ccccc2nc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588965 VXNVEBMVQGJLBG-WMZHIEFXSA-N 384.391 4.347 0 1 GIAF CCOc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587597231 QDVMWCNAVBYPCQ-KNQAVFIVSA-N 378.380 4.199 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Br)[nH]2)N1 587680368 IRGFQQSYHMKUNS-UOWDBTKRSA-N 388.078 4.302 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587723520 ASUPZBWTQCZQGW-XLFHBGCDSA-N 396.231 4.138 0 1 GIAF CCn1nc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587759429 TWWMLIQTSCDCPW-XTZNXHDOSA-N 380.305 4.219 0 1 GIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(F)c(Br)ccc3[nH]2)cc1 587787032 UDPJIUUSZBFCBQ-RYUDHWBXSA-N 389.224 4.408 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCN(C)C)(c2cccs2)N1 587850583 ZYRKHSFGPIHFOV-XIKOKIGWSA-N 397.357 4.379 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CC(=O)c2nccs2)N1 587855748 VXHZHCFSNDFLCM-FVMDXXJSSA-N 383.286 4.067 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3nsnc3c2)N1 587857654 MJPBKMHTGQPFAN-ZKANADHPSA-N 378.270 4.217 0 1 GIAF CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@@H](O)CC)cc12 653723584 GMPJQQJTFPURQY-SFHVURJKSA-N 381.472 4.324 0 1 GIAF Cc1c([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)nc2ccccn12 962639712 LVVVITGJILVSHU-BKMJKUGQSA-N 394.522 4.479 0 1 GIAF C=Cc1oc2ccccc2c(=O)c1CN(/C=C/C(=O)OC)Cc1ccccc1 1857767128 ASFSQPGZJGJDBV-BUHFOSPRSA-N 375.424 4.125 0 1 GIAF COc1ccc(C(=O)NCc2cc(C(C)C)no2)cc1OCc1ccccc1 169305450 RWGWMVDUUWGYHB-UHFFFAOYSA-N 380.444 4.316 0 3 GIAF CC(C)(C)c1noc(-c2ccc(F)cc2Cl)c1C(=O)N[C@H]1CCCC[C@@H]1O 775578 RKBORZBACQSOJN-GJZGRUSLSA-N 394.874 4.465 0 1 GIAF COc1cc(NS(C)(=O)=O)ccc1Nc1cc(C)nc2ccc3[nH]ccc3c12 6009957 VWGXVDAYCOQVBE-UHFFFAOYSA-N 396.472 4.148 0 1 GIAF C[C@H](C1CCN(Cc2nc(Cc3ccccc3Cl)no2)CC1)N1CCCC1 12030081 FAMFPYTZTGPXAJ-MRXNPFEDSA-N 388.943 4.010 0 1 GIAF Clc1ncc(OC[C@@H]2CCCN2)cc1/C=C/c1ccnc(Br)c1 13560815 XEVRRKNLTNXKTK-XGACYXMMSA-N 394.700 4.194 0 1 GIAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccccc2F)cc1 13762122 YWHWGDCPWAFBRB-UHFFFAOYSA-N 384.354 4.101 0 1 GIAF Cc1c(C(=O)c2ccccc2F)c2ccccc2n1[C@@H](C)CN1CCOCC1 13781972 COEIKTDOBBJAHE-INIZCTEOSA-N 380.463 4.213 0 1 GIAF C=C1C(=O)C=CC(C)(C)[C@]12C[C@H](Br)[C@](C)(Cl)C[C@@H]2OC(C)=O 14860865 WJPXJFRAAMMVGZ-XJNFMUPTSA-N 389.717 4.181 0 1 GIAF biogenic COC(=O)CC[C@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26740493 WTVISGPXDDBEIY-XMMPIXPASA-N 386.451 4.194 0 1 GIAF O=C(OCCCCN1CCC(OCc2ccccc2)CC1)c1ccc(F)cc1 28650689 WNLQOEBYDOWFBU-UHFFFAOYSA-N 385.479 4.444 0 1 GIAF in-vivo CC(C)CC(=O)OC[C@]1(CO)C/C(=C/CC(CC(C)C)CC(C)C)C(=O)O1 28704345 PYADAHMTAQTPQG-LTVGTUHNSA-N 382.541 4.279 0 1 GIAF Cc1cc2[nH]c([C@H](O)CCCC(=O)O)c(CCc3ccccc3)c2cc1C(=O)O 29037382 RTEBOKRSBFNGPL-HXUWFJFHSA-N 395.455 4.248 0 1 GIAF CCOc1cc(CN2CCC(Nc3nc4ccccc4[nH]3)CC2)ccc1OC 48999997 MSZPPOFTOFRJJR-UHFFFAOYSA-N 380.492 4.047 0 1 GIAF in-vitro O=C(NCCCNc1c2c(nc3ccccc13)CCCC2)c1ccc(F)cc1 72108661 MNVLEOSJQKCUMW-UHFFFAOYSA-N 377.463 4.485 0 1 GIAF Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2Nc2cccc(N)c2)cc1 72124959 WQIMANURWFYAAW-UHFFFAOYSA-N 390.468 4.097 0 1 GIAF CC[C@H](C)NC(=O)c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1 82141168 ARYXLHWHBIEZDR-HNNXBMFYSA-N 378.451 4.423 0 1 GIAF CCCSc1c(C(=O)NC2CCCCC2)cnn1-c1ccc(C(=O)O)cc1 95573889 WRUCIVYHYJGMDK-UHFFFAOYSA-N 387.505 4.135 0 1 GIAF CN(C)CCCn1cc(CNCCCNCC2CCCCC2)c2ccccc21 95596294 YBTVFALKLXMBIT-UHFFFAOYSA-N 384.612 4.243 0 1 GIAF CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4c(F)cc(C)cc43)CC2)CC1 101638184 XSDXQFXBUOFSAB-LMTLIKQPSA-N 390.499 4.417 0 1 GIAF CN1C(=O)CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@@H]4[C@@H]3CC[C@@H]12 169321997 NNVCQUGSNITOPM-UFEZNFEFSA-N 388.596 4.381 0 1 GIAF C[C@H](O)[C@H](CCCCCCC(=O)O)CCC[C@H](O)COc1ccc(F)cc1 197220631 XOKYYLJNBXELLF-SCTDSRPQSA-N 384.488 4.158 0 1 GIAF Cc1ccc(Nc2cc([C@H]3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)nc1 221708404 WNRYAYNPCFHWOV-IBGZPJMESA-N 387.487 4.252 0 1 GIAF O=C(O)C[C@H](NC(=O)c1cc(-c2ccccc2)ccn1)c1ccccc1Cl 223537961 PUVFFEORFOZVTN-SFHVURJKSA-N 380.831 4.348 0 1 GIAF CCCCCCN1C[C@H](O)[C@H](n2cc(C3CC3)nn2)C[C@H]1c1ccc(OC)cc1 254129962 ZAUXEZACOUTYCB-ZRBLBEILSA-N 398.551 4.093 0 1 GIAF Cc1cc(Oc2ncccc2Br)ccc1-c1c(C)n[nH]c(=O)c1C 261136206 MBRRBUADDJHLJS-UHFFFAOYSA-N 386.249 4.312 0 1 GIAF Cc1cc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2cc1Cl 587112559 KELVPKKBPYSUTG-UHFFFAOYSA-N 392.772 4.245 0 1 GIAF Cc1c(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165985 KBYJYNXZOHJXQQ-UHFFFAOYSA-N 383.448 4.086 0 1 GIAF COC(=O)Nc1ccc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cn1 587244632 HKKXWFASDIPIJT-UHFFFAOYSA-N 386.717 4.355 0 1 GIAF Oc1nc(O)c2ccc(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2n1 587368448 PZKNTVMJUWBNKF-UHFFFAOYSA-N 376.121 4.429 0 1 GIAF Cc1ccc2c(c1)Oc1cc(O)cc(O)c1[C@]21CC(=O)c2cc(C)cc(N)c2O1 587409231 QUTCUKXCNYUJKU-QHCPKHFHSA-N 389.407 4.312 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(F)ccc(C)c1Br)[C@@H](C2)C3=O 587422888 GLOKALVWXIDIGQ-VOJFVSQTSA-N 377.209 4.394 0 1 GIAF O=C(O)c1cc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543976 CVTNCVZNTYGZFI-PXNSSMCTSA-N 396.782 4.447 0 1 GIAF COc1ccc(F)c(F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559847 ZRZSDOWPXIVQCX-UWJYYQICSA-N 384.334 4.382 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=COc1cc(F)ccc12 587567825 FIZDGNDHEBTRGF-DENIHFKCSA-N 376.339 4.295 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cn2ccnc2)c1 587578608 RJTIUINMAIFIPG-XUZZJYLKSA-N 398.418 4.340 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(c3ccc(F)cc3)C2)N1 587733009 NJCFKHVQWPVUKJ-BLVKFPJESA-N 393.275 4.367 0 1 GIAF CCC[C@H](C)OC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587788794 AMPCIEMNZHODSR-OAVHHTNSSA-N 386.305 4.460 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2CCC(=O)O)N1 587826099 GHWBBZOFYXWOPM-SUFBMKPHSA-N 384.289 4.373 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2scc3c2OCCO3)N1 587851725 IWQFEYIGUPIMBE-XYZCENFISA-N 398.297 4.219 0 1 GIAF O=C(O)c1cc(S(=O)(=O)Nc2ccc3ccccc3c2)c2ccccc2c1O 653724744 JAMJDESZLZEKIH-UHFFFAOYSA-N 393.420 4.198 0 1 GIAF Cc1cc2c(cc1O)[C@H](C=C(c1ccccc1)c1ccccc1)N[C@H](C(=O)O)C2 963524246 KPNLDKJMCKVGKK-GOTSBHOMSA-N 385.463 4.473 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc[nH]1)C(Cl)(Cl)Cl 963607667 JWEPKNSYRZKVRV-MGPLVRAMSA-N 389.710 4.180 0 1 GIAF CCC[C@H](C)COc1ccc([C@@H](NC(=O)Cc2ccc(C)cc2)C(=O)OC)cc1 1772610192 YRCLBMPUGFFZIL-FDDCHVKYSA-N 397.515 4.383 0 1 GIAF Clc1ccc(-c2cn(C[C@@H]3Cc4c([nH]c5ccccc45)CN3)nn2)cc1Cl 1857572520 UNDBXXXNHJNBGS-ZDUSSCGKSA-N 398.297 4.448 0 1 GIAF CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)c(Br)c2)cc1 1857755594 IXMVFDFVGSTUQH-UHFFFAOYSA-N 376.294 4.425 0 1 GIAF CC(=O)OC[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(C)=O)CC[C@@]43C)[C@@H]1CCC2=O 2356561341 ZBCIPAKSRPXBDL-FDPOVUBTSA-N 390.520 4.073 0 1 GIAF O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1ccco1)C1CCCC1 1380194 COWSXSQBZOHTEZ-NRFANRHFSA-N 380.488 4.465 0 3 GIAF COc1cccc(CN2C(=O)c3ccccc3[C@@H](C(=O)O)[C@H]2c2ccsc2)c1 7007239 HVZHRGIRHPMNOQ-WOJBJXKFSA-N 393.464 4.322 0 1 GIAF CC(=O)c1ccc(NC(=S)NCCC2CCN(Cc3ccccc3)CC2)cc1 13734774 BLLKWZPGRCKQTM-UHFFFAOYSA-N 395.572 4.478 0 1 GIAF COc1cc([C@@H]2c3cc(OC)c(O)c(OC)c3C=C(C)[C@H]2C)cc(OC)c1O 14435371 FTMPPAUMNSIYCL-CWTRNNRKSA-N 386.444 4.317 0 1 GIAF biogenic Cc1cc(O)cc(C)c1C[C@@H](N)C(=O)N[C@@H](C)/C(F)=C/CCCc1ccccc1 26388838 GCMXFAGNVBGNHO-DKUFNCIUSA-N 398.522 4.260 0 1 GIAF COC(=O)[C@]1(c2ccc(C)cc2)C[C@H]1CN1CCC(Cc2ccccc2)CC1 28634998 GOIBXJYEIIEIPH-ZCYQVOJMSA-N 377.528 4.380 0 1 GIAF CCN(CC)C(=O)c1cn2c(C)c(C)nc2c2c1CC[C@H](c1ccccc1)O2 28867102 ORXYJIGPHZLDBC-HXUWFJFHSA-N 377.488 4.499 0 1 GIAF c1cc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)cs1 28903540 KAZRKJFTFFKZLF-XZOQPEGZSA-N 398.572 4.132 0 1 GIAF CCCc1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2 38457296 ATUVABZIKNCKIW-UHFFFAOYSA-N 394.491 4.337 0 1 GIAF O=C(Nc1ccccc1F)N[C@@H]1N=C(C2CCCCC2)c2ccccc2NC1=O 40763971 PUROAWTVOQLDBR-FQEVSTJZSA-N 394.450 4.295 0 1 GIAF C[C@@H]1NC(c2cc(Cl)ccn2)=N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1 40950397 QWQDVPJQSJZOEI-YUNKPMOVSA-N 384.817 4.090 0 1 GIAF CC(C)[C@@H](C)Nc1cc(-c2[nH]c([S@@](C)=O)nc2-c2ccc(F)cc2)ccn1 71297017 ZBJPQFVITVEFPP-QWVSSGJLSA-N 386.496 4.472 0 1 GIAF CC(C)c1nc2c(NCc3cccc(F)c3)ncnc2n1CC[C@H]1CCCN1C 82184658 YAKFLHCTQYWFAG-GOSISDBHSA-N 396.514 4.185 0 1 GIAF O=C(Nc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2CC1CCCC1 95893760 SULGBIVQAKFELB-YTFSRNRJSA-N 391.515 4.058 0 1 GIAF CCOC(=O)CCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21 96938368 GHXSCJBTJSZYCP-UHFFFAOYSA-N 378.472 4.374 0 1 GIAF CC1(C)O[C@H]2C3=C4[C@@H](CCCC[C@@]42O1)[C@H](C1(O)CCCCC1)C=CC=C3CO 102405523 JDSAJKMBHSVGSW-OPNQQPSUSA-N 386.532 4.177 0 1 GIAF Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CS(=O)(=O)O)ccc12 220966552 SQOCZJZIMBWQTM-UHFFFAOYSA-N 385.272 4.088 0 1 GIAF COC(=O)c1ccc(CSc2nc(=O)cc(Cc3cc(C)cc(C)c3)[nH]2)cc1 222017523 QAUFZNBTGAQAGE-UHFFFAOYSA-N 394.496 4.056 0 1 GIAF COc1ccc(-c2cnc3ncnc(NC(=O)C4CCCCC4)c3c2)cc1OC 299820497 HKAGSNNIGLETAP-UHFFFAOYSA-N 392.459 4.228 0 1 GIAF O=C(OCC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc(Cl)cc1 473096792 ZWISUVJUUFHTPW-UHFFFAOYSA-N 387.863 4.138 0 1 GIAF Oc1nc2cc3nc(COc4ccc(Cl)cc4Br)[nH]c3cc2[nH]1 586977036 TWJUVHIKHFTFIC-UHFFFAOYSA-N 393.628 4.140 0 1 GIAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1CO 586990812 GATDVRDHEXRLRM-UHFFFAOYSA-N 383.403 4.320 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(CO)cc3[nH]2)C[C@@H]2CCCC[C@H]21 587026733 MJOXMALBOJZJCQ-DBVUQKKJSA-N 395.528 4.192 0 1 GIAF CCS(=O)(=O)c1ccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2c1 587066522 PGGURJFFPKXGSH-UHFFFAOYSA-N 392.908 4.330 0 1 GIAF FC(F)(F)c1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cn1 587120350 ZMCRPZNYNSVHPJ-UHFFFAOYSA-N 389.303 4.119 0 1 GIAF Oc1nc2cc3nc(-c4cc(F)ccc4-n4cnc5ccccc54)[nH]c3cc2[nH]1 587159067 LXDMCZRRUOZTIJ-UHFFFAOYSA-N 384.374 4.290 0 1 GIAF COc1cc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1OC 587167299 LVULUKMGMJQHKA-MRXNPFEDSA-N 384.411 4.088 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCCc3[nH]c(O)cc32)[C@H]1c1ccc(F)cc1 587347636 PGJMHKCLDRDYJE-UNMCSNQZSA-N 379.387 4.156 0 1 GIAF CCOC(=O)C[C@]1(c2ccc(OCC)c(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587400158 OKGVTQMTWIWATI-QHCPKHFHSA-N 397.471 4.098 0 1 GIAF COc1ccc(OCc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 587407239 BEZXYVUTCDIFQI-NRFANRHFSA-N 379.412 4.464 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)[nH]c(-c3ccco3)nc1=S)O2 587409631 IUACYDCZCNBYPL-FQEVSTJZSA-N 381.457 4.479 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CCC[C@H]1C(=O)OC 587484182 YSXGYRBTWIXRAK-CYFREDJKSA-N 394.467 4.331 0 1 GIAF C[C@]1(CC(=O)Nc2ccc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587503830 ZLCXPWNTSYCSCR-OAQYLSRUSA-N 384.863 4.367 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)c(O)cc1O 587540483 AQLIWNAZDDZVDN-FXAWDEMLSA-N 384.771 4.160 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2n[nH]c(Cl)c2c1 587552265 PGTUROVIBURWMR-CRAIPNDOSA-N 393.786 4.020 0 1 GIAF Cc1c(C=O)c2ccccn2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590079 XGZIUQZSPXDXNK-RDPSFJRHSA-N 399.402 4.469 0 1 GIAF COC(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587591712 HIKYKOGLBDNMKT-XXBNENTESA-N 390.391 4.056 0 1 GIAF CC(C)CCOC(=O)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595939 MAPDKUFUYOEFFF-SIKLNZKXSA-N 384.428 4.092 0 1 GIAF CC(C)(O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587607470 IPJYTCDQNVMHQU-YKSBVNFPSA-N 390.435 4.497 0 1 GIAF CCOc1ccccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660671 RAPSHGLBTJMJET-UHFFFAOYSA-N 388.398 4.290 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCC3)o2)N1 587765985 LSBLQOGTSKJCTO-BBATYDOGSA-N 379.273 4.405 0 1 GIAF Cc1[nH]c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)O 587789442 DDHXPPVKEHYVJS-DCXZOGHSSA-N 395.272 4.029 0 1 GIAF Cc1sc2c(c1C)CCN[C@@]2(c1ccccc1)c1ccc(OCCN)cc1 963005192 DJTCSWIAZYTHTH-QHCPKHFHSA-N 378.541 4.140 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccccc1)[C@@H](N)c1ccccc1 963613749 VVKGOOVNJHIPCC-HDBFHEOPSA-N 388.511 4.182 0 1 GIAF Cc1ccc(CN2CCC[C@H](N3CCC(c4ccc(O)cc4)CC3)C2=O)cc1 1772618846 GVYFNDGMWJKNNJ-QHCPKHFHSA-N 378.516 4.071 0 1 GIAF Cc1cn(-c2ccc(-c3csc(Nc4c5c(nn4C)CCC5)n3)cc2F)cn1 1857558759 XWWVQEYJLIHQAH-UHFFFAOYSA-N 394.479 4.409 0 1 GIAF COc1ccccc1N1CCN(CC[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 1857639508 ODGISAOEZZTPKC-IBGZPJMESA-N 395.330 4.248 0 1 GIAF COCCn1cc(-c2cnc(N)c(O[C@@H](C)c3cc(F)ccc3Cl)c2)cn1 1911584933 ALFAMSOWGZNZJZ-LBPRGKRZSA-N 390.846 4.106 0 1 GIAF CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C[C@H]1OC(C)=O 2356609523 DHQLCWJHDQWZLR-LEPQUCQDSA-N 390.520 4.072 0 1 GIAF COc1ccc(NC(=O)NC2C[C@H]3CCC[C@H](C2)N3Cc2ccccc2)cc1 1368560 RSOYDOJRPXGYNE-NHCUHLMSSA-N 379.504 4.402 0 1 GIAF CN(C)CCOc1ccc([C@H]2N=CN[C@H]2c2ccc(O)cc2Cl)c(Cl)c1 13607930 OHZQVLLMLJBZQQ-RBUKOAKNSA-N 394.302 4.053 0 1 GIAF CC(=O)Nc1ccccc1NC(=O)Nc1ncccc1OCc1ccccc1 13680201 XZAKKIJVUZQDSV-UHFFFAOYSA-N 376.416 4.263 0 1 GIAF COC(=O)C[C@H]1c2ccccc2C(Cc2ccc(OC)cc2)=C(C)N1C(=O)OC 13817743 QEWDNKAOTYDGHN-NRFANRHFSA-N 395.455 4.355 0 1 GIAF O=C(NCc1cccnc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959152 IKSOSHYRFLZPCI-UHFFFAOYSA-N 377.835 4.050 0 1 GIAF CC(=O)Nc1ccc(OC(=O)Nc2ccc(C(=O)c3ccccc3)cc2O)cc1 27323151 KLCQELCHEBUSII-UHFFFAOYSA-N 390.395 4.193 0 1 GIAF CC(C)n1cc2c3c(cccc31)[C@H]1C[C@@H](C(=O)NC3CCCC3)CN(C)[C@@H]1C2 27731501 ANZWORLQYDMHRT-NQSCKRDGSA-N 379.548 4.241 0 1 GIAF COP(=O)(OC)[C@H](OC(=O)COc1ccc(Cl)c(C)c1)c1ccco1 35259303 ZYJMSPCXTPLJOF-INIZCTEOSA-N 388.740 4.348 0 1 GIAF CN(C)c1cccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)CN2)c1 40954519 AHIHRCLJRIXGEW-UHFFFAOYSA-N 377.438 4.324 0 1 GIAF CO[C@@H](C(=O)N[C@H](CCN(C)C)c1ccc2ccccc2c1)c1ccccc1 45284179 UKHRRYOEYHKXOT-DHIUTWEWSA-N 376.500 4.337 0 1 GIAF CC1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccco3)n2)CC1 82141898 UYPZDPPWVGKXJE-SJLPKXTDSA-N 382.508 4.281 0 1 GIAF Cc1ccc(C(=O)N2CCc3cc4c(cc3[C@H]2c2cccc(O)c2)OCO4)cc1 95605812 GGKBIUUJJSLGHA-HSZRJFAPSA-N 387.435 4.217 0 1 GIAF CN1c2ccc(-c3ccccc3)cc2[C@@H]2[C@@H](CCN2C(=O)c2ccccc2)[C@H]1CO 95878894 NUUZRTGAIQIBSQ-GPUOULLFSA-N 398.506 4.368 0 1 GIAF C[C@H](CC(=O)C1CC1)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1 96172915 VADPIBQGCSJZNP-OAHLLOKOSA-N 377.488 4.094 0 1 GIAF Nc1nc(CSc2nc3ccccc3[nH]2)nc(Nc2ccc(Cl)cc2)n1 103216168 XFIGUSATNZORBK-UHFFFAOYSA-N 383.868 4.019 0 1 GIAF COc1ccc([C@@H]2c3cc4c(cc3O[C@@H](N3CCCCC3)[C@@H]2C)OCO4)cc1 105518647 OFWNMZRXUNSPIH-DURYTUKUSA-N 381.472 4.396 0 1 GIAF CC(C)S(=O)(=O)c1ccc2nccc(Nc3n[nH]c4ccc(F)cc34)c2c1 140004931 HTDKYMMOSDHZSR-UHFFFAOYSA-N 384.436 4.176 0 1 GIAF C[C@@H]1CCCN1c1cccc(Nc2cc(-c3cccc(O)c3)nn3ccnc23)n1 207418011 NRSIHEJWMHYXOO-OAHLLOKOSA-N 386.459 4.229 0 1 GIAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccc(N)nc2)c(F)c1 224803234 QQQAVPBVRJPUKK-UHFFFAOYSA-N 399.491 4.214 0 1 GIAF O=C(O)c1ccccc1/C=C/c1nc2cc(Br)c(F)c(F)c2[nH]1 586878279 BZDOWXSWKYFMDO-AATRIKPKSA-N 379.160 4.472 0 1 GIAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 586964044 SYFQWCTXLAMRSC-GFCCVEGCSA-N 392.868 4.050 0 1 GIAF Cc1nc2[nH]c(-c3c(Cl)c(C(F)(F)F)nn3C)nc2cc1Br 587116076 MONYZUCBPHIIHB-UHFFFAOYSA-N 394.582 4.102 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)nc3F)nc2c1 587177730 WOZGOBNYADCMIP-UHFFFAOYSA-N 398.619 4.357 0 1 GIAF Clc1ccc(I)cc1-c1nc2cc3c(cc2[nH]1)OCO3 587182156 AOPSYNGXZNBNTO-UHFFFAOYSA-N 398.587 4.217 0 1 GIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2c(F)cnc(Cl)c2[nH]1 587198106 GOCVYBDMTPQEJS-UHFFFAOYSA-N 395.825 4.276 0 1 GIAF CC(=O)N1CCN(c2ccc(-c3cc4c5c(cccc5n3)CC4)cc2Cl)CC1 587209060 HRTZOQZBMXPJJG-UHFFFAOYSA-N 391.902 4.322 0 1 GIAF NC(=S)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377048 QJRSFMXEXSXPSE-DENIHFKCSA-N 393.439 4.072 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c(Br)ccnc1F)CC2=O 587471150 JEBABZQWKPETOT-AWEZNQCLSA-N 380.213 4.348 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nc(Cl)cnc1Cl 587555336 ZWAIKYFRNRFUAV-DYVFJYSZSA-N 389.194 4.192 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(-c2ccco2)nc1 587589891 YMMGLDCXJATBSU-GHTZIAJQSA-N 386.363 4.145 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C)C1 587595199 JWBJWVWZLOOWHC-CRKFXISPSA-N 396.439 4.092 0 1 GIAF COc1cccc2c1C[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599348 FPIVMXXJAWDQIQ-QPPBQGQZSA-N 388.419 4.290 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2snnc2c1 587617868 LKKYTLSOZXSKPB-FXAWDEMLSA-N 376.393 4.100 0 1 GIAF CSc1nc(C)cc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587658454 RDKTWRPNAAQQRT-UHFFFAOYSA-N 396.422 4.151 0 1 GIAF Cc1cc(C(=O)O)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587825390 HTXQRVLYRXAHOL-DYZYQPBXSA-N 378.241 4.218 0 1 GIAF COC(=O)c1csc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587850134 XIPBPOVPQKOSJE-ANRSDYALSA-N 384.270 4.060 0 1 GIAF COc1cccc(-c2cc(O)n(-c3cc(C)n(Cc4ccccc4F)n3)c2O)c1 587944216 ADAVYLCJVUQTRR-UHFFFAOYSA-N 393.418 4.256 0 1 GIAF Cc1ccoc1C(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)O)c(Cl)c1 653722903 RTENVCBFDRQMCA-UHFFFAOYSA-N 398.802 4.444 0 1 GIAF COc1cccc([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)c1OC 962706852 MIXAWGYQHPMNJX-IVZQSRNASA-N 387.520 4.470 0 1 GIAF c1ccc(-c2ccc3[nH]cc(-c4nnco4)c(=NCCCn4ccnc4)c3c2)cc1 1857618249 AGTHZBSCWLGYCE-UHFFFAOYSA-N 396.454 4.072 0 1 GIAF O=C(CCc1ccc2c(c1)OCO2)NCc1cccc(-c2ccc(F)cc2)c1 1857628514 BDCYOMPMCMRHFM-UHFFFAOYSA-N 377.415 4.470 0 1 GIAF CC(C)Nc1cccnc1N(C)C1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 5962994 MHQJAWRJJKMFDP-UHFFFAOYSA-N 391.519 4.124 0 1 GIAF COc1ccc2c(CC(=O)Nc3ccncc3)cn(Cc3ccc(F)cc3)c2c1 13556645 XSMCYUIIDDWLEP-UHFFFAOYSA-N 389.430 4.414 0 1 GIAF O=C(O)CCC[C@@]1(Cc2ccncc2)C(=O)N(c2ccccc2)c2ccccc21 26735031 AMRRQZIEZDXBIE-DEOSSOPVSA-N 386.451 4.495 0 1 GIAF C[C@H](CCC(=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@@]21C 33820738 DGABKXLVXPYZII-UNSLZIRMSA-N 392.580 4.478 0 1 GIAF in-vitro COc1ccc(CC(C)(C)NC[C@H](O)COc2ccc3ccccc3c2)cc1 45496885 RKYYDYRRRMHWHW-NRFANRHFSA-N 379.500 4.199 0 1 GIAF CC1(C)C[C@H](NC(=S)Nc2ccc(Cl)cc2)c2cc(NC=O)ccc2O1 72175291 FNICWSNJPOVFQA-INIZCTEOSA-N 389.908 4.497 0 1 GIAF Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(-c3nnn[nH]3)c2)c1 145364356 BGBUWDHHVBVORQ-UHFFFAOYSA-N 397.364 4.395 0 1 GIAF O=N[C@@H]1C(=O)N(Cc2cc(F)cc3c2OCOC3)c2cc(C(F)(F)F)ccc21 169722184 MHGQNYSIUVGSEG-HNNXBMFYSA-N 396.296 4.065 0 1 GIAF Cc1ccc(N2CCc3ncnc(N(C)Cc4ccc(Cl)cc4)c3C2)nc1 202608934 KPEQNACGNIIZRX-UHFFFAOYSA-N 379.895 4.033 0 1 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@@H](OC(=O)C=C(C)C)[C@H](C)[C@@]12C 238749425 CDBIVUXQDDOZNF-DHGBDVNESA-N 388.460 4.319 0 1 GIAF Cc1nc(C(C)C)c(C(N)=O)nc1-c1ccc([C@H]2CC[C@H](CC(=O)O)CC2)cc1 254134859 RQELPNONOIGRBZ-WKILWMFISA-N 395.503 4.423 0 1 GIAF Fc1ccc(-c2cnc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cc1 584905332 XQEJWZGYFBXKIF-UHFFFAOYSA-N 392.344 4.014 0 1 GIAF in-vitro Cc1cc(-c2nc3ncc[nH]c-3n2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587060616 BHUJETIJTAYEDL-UHFFFAOYSA-N 389.850 4.035 0 1 GIAF CC(C)(C)c1ccc2nc(C3=CCC(=O)N(Cc4ccc(F)cc4)N3)[nH]c2c1 587163466 JFHZDBUUMQFXAM-UHFFFAOYSA-N 378.451 4.278 0 1 GIAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(OC)ccc2[nH]1 587181264 PRHUTYQTDWSJSG-VIFPVBQESA-N 396.232 4.011 0 1 GIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587241526 FJPUHBREXQCPDH-UHFFFAOYSA-N 377.370 4.365 0 1 GIAF Cc1cc(Br)cc2nc(-c3cccc(-c4cnc(=N)[nH]c4)c3)[nH]c12 587255029 VVLMOLOWNDGLKQ-UHFFFAOYSA-N 380.249 4.170 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(N(C)C)n(-c3ccccc3)c1Cl)O2 587380953 YUFHRAVHOKOAEK-KRWDZBQOSA-N 396.878 4.189 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(C(=O)OC(C)(C)C)c3ncccc13)O2 587391862 UIQDKUAMAJFTSU-GOSISDBHSA-N 393.443 4.417 0 1 GIAF CCOC(=O)C[C@]1(c2ccc3c(c2)CCCC3)CC(=O)c2cc(C)cc(N)c2O1 587399753 LXCGBUWPZFPVOA-DEOSSOPVSA-N 393.483 4.270 0 1 GIAF Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1 587410671 VOYRHIDGOJYTQU-UNMCSNQZSA-N 399.512 4.006 0 1 GIAF CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1Cc1ccco1 587517368 MBAPUIYNUPUOIJ-HSZRJFAPSA-N 377.440 4.199 0 1 GIAF COC(=O)c1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587557585 NMKVAUHDRCFVKI-GHTZIAJQSA-N 394.354 4.021 0 1 GIAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)nc1-c1ccccc1 587575952 HARDWAODGSKDBU-REWPJTCUSA-N 398.418 4.496 0 1 GIAF Cn1cc(-c2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cn1 587584035 YNRGBAYKRJTATP-URXFXBBRSA-N 398.418 4.496 0 1 GIAF COc1ccc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(OC)c1C 587786292 FVIYULCVWRPDKG-UHFFFAOYSA-N 391.221 4.016 0 1 GIAF COc1ccc(F)c([C@@H]2c3ccsc3CCN2Cc2cccn2C)c1OC 962401159 VSSIGNRNIOVJCH-FQEVSTJZSA-N 386.492 4.391 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@]3([C@@H]1CCCCCC1=O)C(F)(F)F 963059429 RETDJJRQHFRSKT-QRWLVFNGSA-N 392.421 4.296 0 1 GIAF C[C@H](CC(N)=O)N[C@@H](c1ccc(Cl)c(C(=O)c2ccccc2)c1F)C1CC1 1772639443 GCNYWVUXJGSFBX-MPBGBICISA-N 388.870 4.015 0 1 GIAF COc1ccc(Cn2c(=O)n(C)c3c4cc(-c5cccnc5)ccc4ncc32)cc1 1857594235 KLGJFBLSLZCFGJ-UHFFFAOYSA-N 396.450 4.007 0 1 GIAF Cc1csc(NC(=O)c2cc(C(F)(F)c3cncnc3)cc3cccnc23)n1 1857646704 WMANVHZDYKNLDT-UHFFFAOYSA-N 397.410 4.182 0 1 GIAF O=C(c1cc(Cc2ccc(Cl)cc2)c(O)cc1O)N1Cc2ccccc2C1 1857745284 XVOFOGASNRBTAV-UHFFFAOYSA-N 379.843 4.498 0 1 GIAF C[C@H]1CN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1 1911575755 VWCPEARXGTWKHO-IYBDPMFKSA-N 376.516 4.470 0 1 GIAF C[C@H](O)[C@@H](O)[C@H](C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356562126 OITVHTCHWCAWMR-NMMYMHLASA-N 376.496 4.373 0 1 GIAF CC[C@H](CO)Oc1cc(NC(=O)c2ccc(F)cc2)c2ncn(C(C)C)c2c1 36389257 CBWDXYNOMABEEN-MRXNPFEDSA-N 385.439 4.158 0 3 GIAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](CO)[C@@H](C)CC)cc1 775675 XJZOWDDNTIIMFO-YOEHRIQHSA-N 388.508 4.175 0 1 GIAF CC(=O)O[C@@H]1[C@@H]2c3c(ccc4c(=O)cc(-c5ccccc5)oc34)O[C@@H]2OC1(C)C 5166448 XTIQPKJOGKMOSY-KSEOMHKRSA-N 392.407 4.003 0 1 GIAF biogenic CO/C(O)=C1/C(C)=Nc2nc(SC)nc(O)c2[C@@H]1c1ccc(Cl)cc1 6723870 FSUAFUQPYCLMDB-COOUDCDJSA-N 377.853 4.211 0 1 GIAF CCOC(=O)c1sc2cccc(F)c2c1S(=O)(=O)Nc1ccccc1F 8604904 CHUHDMDCHPPFQD-UHFFFAOYSA-N 397.424 4.157 0 1 GIAF Cc1c[nH]c2ccc(C(=O)N3CCC(N4C(=O)OCc5ccccc54)CC3)cc12 13441678 AWMKQHBCAGVGPC-UHFFFAOYSA-N 389.455 4.238 0 1 GIAF CC(C)COc1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 13528605 YZEZCHQEXAVVGK-UHFFFAOYSA-N 398.480 4.412 0 1 GIAF O=C(O)Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c2ccc(Cl)cc12 13650637 YMZHVFGHPWRVAG-UHFFFAOYSA-N 393.802 4.253 0 1 GIAF Clc1ccc(-c2[nH]nc(N3CCN4CCC[C@H]4C3)c2-c2ccncc2)cc1 14970891 AKMUGCMCOYELTD-SFHVURJKSA-N 379.895 4.077 0 1 GIAF C[C@H]1CCCN(c2ccccc2[C@@H](C)NC(=O)Cc2ccc(C(=O)O)cc2)C1 27563332 CVCBNPONPMIIDX-DLBZAZTESA-N 380.488 4.041 0 1 GIAF O=C(c1ccco1)N(c1ccncc1)C1CCN(CCc2ccccc2)CC1 27740857 HOGBGNKGAZIFGZ-UHFFFAOYSA-N 375.472 4.029 0 1 GIAF COc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2OC)ccc1OCC=C(C)C 59768408 FGCOHIKLPLTZAH-UHFFFAOYSA-N 398.411 4.233 0 1 GIAF biogenic C[C@@]12CC[C@]3(OCc4cccc(Br)c4)C[C@H]1CCC[C@@]2(CO)O3 101221543 DFRVMDQTYMURIH-OQIJWPOYSA-N 381.310 4.414 0 1 GIAF CC(C)=CCC[C@@H](C)C1=C(O)[C@H](O)C(C)=C2N=C(c3ccccc3)C(=O)O[C@@H]21 102956439 HQOVFKOOADNLBT-JEWAVWJGSA-N 381.472 4.244 0 1 GIAF C/C=C/C=C/C(=O)N[C@H](C(=O)NCCCCCCCCCCCC)[C@@H](C)O 143134515 OBDGLUQLZXFYCV-ZKSGUFLNSA-N 380.573 4.021 0 1 GIAF CC(C)n1cc(-c2cc(CO)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cn1 144911500 NBUBABYXZQXDPT-FQEVSTJZSA-N 388.389 4.402 0 1 GIAF CCN(CC)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)CCC[C@]4(C)[C@H]3CC[C@]12C 169369804 ARCONGNMKCTCRP-CLKHMLALSA-N 388.596 4.382 0 1 GIAF CC(=O)O[C@H]1C/C(C)=C/CC[C@H](C)CC(=O)CC2=C[C@H](OC2=O)[C@@H]1C(C)C 238789851 QWGSYRKRZRCPAG-FPSPQKGQSA-N 376.493 4.158 0 1 GIAF CN(Cc1ccccc1)C(=O)C[C@H](CO)c1cccc(OCc2ccccc2)c1 473157276 VCRQAENPVSKFEN-HSZRJFAPSA-N 389.495 4.390 0 1 GIAF Clc1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2n1 586965563 LTKPHAGOZQPZBE-UHFFFAOYSA-N 396.907 4.421 0 1 GIAF FC(F)(F)Oc1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587039110 CGDXJFFFDITBSW-HIFRSBDPSA-N 379.407 4.408 0 1 GIAF N[C@@H]1CC[C@H](c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)C1 587247140 WKUJECQVFPMWRD-WCQYABFASA-N 388.393 4.429 0 1 GIAF C[C@@]1(c2ccnc(Cl)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336728 ZJRSGEUYDSDYIP-XLIONFOSSA-N 384.794 4.249 0 1 GIAF Cc1[nH]nc2c1[C@]1(CCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587345297 IQTQOEGIFYNJDU-IRLDBZIGSA-N 378.403 4.154 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccccc1CO[C@@H]1CCCCO1)[C@@H](C2)C3=O 587455639 OPKGKOKIEXOLCU-NOXFTYBFSA-N 380.440 4.227 0 1 GIAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccc(OC)c1)CC2=O 587468152 IKKRFXVWAQCIDA-OTOIZHKDSA-N 381.472 4.289 0 1 GIAF CCOC(=O)C[C@@]1(COc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520501 DEGFLJPVVJJFNC-XMMPIXPASA-N 394.467 4.302 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCCO)c1ccc(F)cc1 587571759 PNHSKOPNBDSAEI-NZQKXSOJSA-N 394.398 4.161 0 1 GIAF C[C@@]1(c2cnc3cccnc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584529 ATWLFERCHZDPOS-OFNKIYASSA-N 384.391 4.212 0 1 GIAF Cc1c(C=O)c2ccccn2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587590080 XGZIUQZSPXDXNK-YKSBVNFPSA-N 399.402 4.469 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)c(O)c(F)c2)N1 587722091 QNTXPIXVSOXOQJ-RBHXEPJQSA-N 386.211 4.370 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ncc(F)cc23)N1 587735416 UKIKNQUFHJOXPK-BCTVWOGZSA-N 378.220 4.227 0 1 GIAF COc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587806176 INLGPMKUQIENMG-XTZNXHDOSA-N 380.257 4.100 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccc(O)cc32)N1 587834121 QYWBPWKMVRVRIY-WYRIXSBYSA-N 376.269 4.408 0 1 GIAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(Br)c(Br)cc2[nH]1 587961397 FRNVXDCRXBJHEC-SFYZADRCSA-N 386.087 4.246 0 1 GIAF O=C(O)c1n[nH]c2cccc([C@@H]3c4ccsc4CCN3Cc3ccco3)c12 962706583 MYDPSQFWDHWNQZ-IBGZPJMESA-N 379.441 4.063 0 1 GIAF CN(C)C(=O)c1ccc2c(c1)C1(CC(c3ccccc3Br)C1)NCC2 962929289 IPBGEYLSEHHPTJ-UHFFFAOYSA-N 399.332 4.070 0 1 GIAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@H]2c1nc2c(s1)CCC2 962961572 SHYDIIJTONVLGU-QGZVFWFLSA-N 394.462 4.391 0 1 GIAF CN1CCC(COc2cccc(NC(=O)c3cc4sccc4n3C)c2)CC1 1772593581 SJGWTDZFYZXRTQ-UHFFFAOYSA-N 383.517 4.213 0 1 GIAF Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1cscn1 1857586539 BKRXCBOSYLTSHN-UHFFFAOYSA-N 391.500 4.112 0 1 GIAF O=C1CC[C@@H](C=C[C@H](O)CCCCCC=C(Br)Br)O1 2356392727 MZAQGPQBEPVOJJ-VXGBXAGGSA-N 396.119 4.191 0 1 GIAF Cn1cc(CN2CCC([C@@H](O)c3cccs3)CC2)c(-c2ccccc2F)n1 11954678 NFMACMBOKQJQBF-OAQYLSRUSA-N 385.508 4.233 0 3 GIAF CC(=O)CC[C@@H]1[C@@H]2[C@H](O)[C@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@@]21C 34238692 MZRGOEIFXVZAOF-MEIDCQLCSA-N 384.516 4.270 0 3 GIAF C[S@](=O)c1ccccc1-n1cnc(-c2ccc(F)cc2)c1-c1ccncc1 3815782 WHXPUOMLBIINHX-HHHXNRCGSA-N 377.444 4.478 0 1 GIAF O=C(O)CCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1 13648423 UVRBDUNZSLJHHW-UHFFFAOYSA-N 383.839 4.212 0 1 GIAF COc1cccc2c1CCC[C@@H]2CCCCN1CCN(C2=NCCCC2)CC1 13745355 ZJMAZGLYVRKYRY-FQEVSTJZSA-N 383.580 4.485 0 1 GIAF CCN1CCc2cc(Br)cc(OC)c2[C@@H]1Cc1ccccc1O 13805157 FIENLMYHKXXOLG-INIZCTEOSA-N 376.294 4.325 0 1 GIAF O=C(O)CCNC(=O)[C@H](CC1CCCCC1)C[C@H](CC1CCCCC1)C(=O)O 26508096 NJLBECLJORBIQZ-MOPGFXCFSA-N 395.540 4.225 0 1 GIAF Cc1cc(C)cc(-c2[nH]c3c(c2[C@H](C)CNCCc2ccncc2)CNCC3)c1 28823013 CGMXRZJAQKSMCY-LJQANCHMSA-N 388.559 4.275 0 1 GIAF CCCCN(C=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36189667 CHFVUVDSWHAXBF-NSKGFJSOSA-N 388.596 4.477 0 1 GIAF COC(=O)c1ccc(CC[C@@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 45167930 FXTLIXUHQIPSDM-AUUYWEPGSA-N 395.421 4.136 0 1 GIAF Cc1nc(-c2ccccc2)c(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)o1 103290141 MQSDSJXOJZPNCT-UHFFFAOYSA-N 396.874 4.427 0 1 GIAF O=C(NC1CCCCC1)c1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1 167471190 DUXMGDMPXNIVPY-UHFFFAOYSA-N 386.459 4.078 0 1 GIAF CC(C)(C)OC(=O)Nc1nc2ccc(C(=O)Nc3ccnc(F)c3)cc2s1 169303288 IQZFYLINVISWAZ-UHFFFAOYSA-N 388.424 4.430 0 1 GIAF CC1(C)OC(=O)C[C@@H]1c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586906051 HMRHVYMBQAIHJI-MRVPVSSYSA-N 377.160 4.153 0 1 GIAF COc1ccc(O)c([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587401776 YGUXCXUAOQGIBR-HSZRJFAPSA-N 375.424 4.200 0 1 GIAF O=C1C[C@H](C(=O)Cc2cccc(Br)c2)Oc2c1ccc1c2CCCC1 587505093 ULNFVKBSCBAEGF-HXUWFJFHSA-N 399.284 4.474 0 1 GIAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(C)=O 587526435 STIJKKZFEXIOLO-QHCPKHFHSA-N 380.440 4.380 0 1 GIAF CCOc1ccc(C(=O)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587592556 AGGCUQIYKBTMTR-WMZHIEFXSA-N 390.391 4.004 0 1 GIAF COc1cc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587719325 PQSQOMRKRKKTML-LZVRBXCZSA-N 398.247 4.368 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2-n2cccn2)N1 587758825 JNPIDJVHCPHMJI-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-n3ccnc3)cc2)N1 587759212 ZPANVZQBBZDWAA-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)OCCO3)N1 587836693 XJJKJHTYGCNJLL-WLRWDXFRSA-N 392.268 4.157 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](C)n1cc(C)cn1 587866012 APSCMMJEWSPNIS-CYBMUJFWSA-N 392.381 4.374 0 1 GIAF c1ccc(CCN2CC[C@@]3(C2)c2ccsc2CCN3Cc2cccnc2)cc1 962996247 OJOUEGZVNUDWQE-XMMPIXPASA-N 389.568 4.345 0 1 GIAF COc1ccc(C(=O)NC2=NC(C)(C)C3(CCC(C)CC3)S2)c(OC)c1 1772611187 IMWZRYUHBMYMOM-UHFFFAOYSA-N 376.522 4.264 0 1 GIAF C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1cccc2ccccc12)N(C)C 1857562446 QVMZBGVJETTXAK-UWJYYQICSA-N 395.572 4.304 0 1 GIAF Cc1nn(C)c(C)c1-c1cccc(COc2ccc3c(c2)OC[C@@H]3CC(=O)O)c1 1857757532 ZZOQNTHSFVRBSR-SFHVURJKSA-N 392.455 4.234 0 1 GIAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=C[C@H](OC=O)[C@@H]1C(C)(C)CCC[C@]12C 2356599870 PHJOZXITNVLKST-KRIDKZTMSA-N 378.509 4.192 0 1 GIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@@]41COC(=O)O1 2356664767 HRGBLXKHLLJXCT-XXYOBINVSA-N 376.493 4.478 0 1 GIAF Cc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1 2184697 PSQHWAJTQCRLGJ-UHFFFAOYSA-N 392.499 4.001 0 3 GIAF CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1 2465917 HHGXUQKXBNYAIB-OAHLLOKOSA-N 396.466 4.462 0 3 GIAF COc1ccc(CNC(=O)c2cccc3c(-c4cccnc4)coc23)cc1OC 61907755 JFJPHFGNNOUNGZ-UHFFFAOYSA-N 388.423 4.442 0 3 GIAF CCc1nc2c(OCc3ccc(F)c(F)c3)cccn2c1N(C)C(=O)C1CC1 61926743 VPSZMTWZRBPOQA-UHFFFAOYSA-N 385.414 4.127 0 3 GIAF COc1cc2ncc(CO)c(Nc3cccc(Br)c3)c2cc1OC 13812991 NMNOCAWQEQWSTF-UHFFFAOYSA-N 389.249 4.250 0 1 GIAF COc1ccc2c(c1OC)[C@H]([C@@H](C)O)N(C)c1c-2ccc2cc3c(cc12)OCO3 14451116 KGXGGTSECNVCSW-GTJPDFRWSA-N 393.439 4.124 0 1 GIAF biogenic Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2 20490248 BCUYEYOWUKURQK-UHFFFAOYSA-N 395.890 4.488 0 1 GIAF CC(C)CNC(=O)c1ccnc(-c2ccc(CNC3Cc4ccccc4C3)cc2)c1 45322789 PJVIWEAKIILFBP-UHFFFAOYSA-N 399.538 4.391 0 1 GIAF Cc1ccccc1C(=O)Oc1cc(O)c2c(c1)O[C@@H](c1ccc(O)cc1)CC2=O 95595113 PFHCUKXSSUWZIU-HXUWFJFHSA-N 390.391 4.332 0 1 GIAF Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@@H]23)cc1 95876975 VXYWKBKVONATQO-JIMJEQGWSA-N 390.571 4.297 0 1 GIAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)nccn32)C1 100618686 HSWGURQVLUMRPB-PAVFIEEWSA-N 386.455 4.399 0 1 GIAF O=C(OC/C=C/c1ccccc1)C1=CN=C[C@@H](C(=O)O)[C@H]1c1cccc(Cl)c1 169727728 AETTUACTWPQAGI-QEMYPZFLSA-N 395.842 4.349 0 1 GIAF COc1cc(-c2csc(N(C)C(=O)c3ccccc3)n2)cc(OC)c1OC 207473513 MIICBZWUCDODDI-UHFFFAOYSA-N 384.457 4.113 0 1 GIAF O=C(Cc1ccccc1)OC[C@H](CO)c1ccc(OCc2ccccc2)cc1 473155256 QWEMZZCPRQAYMZ-QFIPXVFZSA-N 376.452 4.127 0 1 GIAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(O)ncnc2[nH]1 586983095 VQLGOPPGISCVQM-LBPRGKRZSA-N 375.270 4.193 0 1 GIAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3cccc(C(C)(C)C)c3[nH]2)s1 587024288 STVZECSMTUNIJG-UHFFFAOYSA-N 387.509 4.072 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cccc(O)c3[nH]1)N2 587030609 GJPQWGQHOCDDAY-JLATVTFTSA-N 386.502 4.395 0 1 GIAF Cc1csc([C@](O)(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)C(F)(F)F)n1 587094102 JWLWTGFENREYRR-CYBMUJFWSA-N 397.756 4.252 0 1 GIAF O=C(O)c1cc(Br)cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 587115162 GKDAEKLRXPNLFG-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF FC(F)(F)c1nn(Cc2nc3cccc(Br)c3[nH]2)c2c1CCCC2 587119484 DEGNFSFLSSEXJV-UHFFFAOYSA-N 399.214 4.468 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc(Cc4cc(N)ccc4F)[nH]c3c2)cc1 587141392 QDIKAYZSCSWWNF-UHFFFAOYSA-N 391.402 4.454 0 1 GIAF Cc1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2n1 587154140 KESJAIDYENDGCR-UHFFFAOYSA-N 376.391 4.090 0 1 GIAF O=C(CCc1nc2cccc(I)c2[nH]1)c1ccc(F)cc1 587162023 GQDGPNSYSAJUDH-UHFFFAOYSA-N 394.187 4.122 0 1 GIAF COc1cccc(-c2c(CCC(=O)O)c(C(=O)O)nc3c2oc2ccccc23)c1 587365351 GWJBNXPLHMVBAT-UHFFFAOYSA-N 391.379 4.372 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(Br)cc(F)c(F)c1F)[C@@H](C2)C3=O 587424751 UEHFGDZXINDRAI-QPFGOUBPSA-N 399.162 4.364 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCN(Cc4ccccc4)C(C)(C)C1)[C@@H](C2)C3=O 587439895 XJGZXGDELXPLHS-CYFREDJKSA-N 377.484 4.256 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(c1cccc(OC)c1)CC2=O 587481136 PSLNMFXDKCTMET-QHCPKHFHSA-N 398.455 4.167 0 1 GIAF CN(C)CCOc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587503821 IOVJOVDGXMRBEZ-XMMPIXPASA-N 379.500 4.386 0 1 GIAF CN1CCN(c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)CC1 587514850 PSRNUVCWNLTRQC-QHCPKHFHSA-N 376.500 4.024 0 1 GIAF COc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587555595 HCUPKZHSSPZSGS-DYESRHJHSA-N 384.334 4.382 0 1 GIAF CC1=C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(N)cc2O1 587576500 HDKRXTQSRYWAIF-NFBKMPQASA-N 387.391 4.128 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cn2ccnc2)c1 587578609 RJTIUINMAIFIPG-ZJSXRUAMSA-N 398.418 4.340 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cn(-c2ccccc2)cn1 587579244 TZYDSNYNSLZVMY-NZQKXSOJSA-N 384.391 4.281 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc3ccc(F)cc3[nH]2)N1 587729336 HJFYDNYJAHBNSH-DYBLOJMWSA-N 392.247 4.401 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3cnn(C)c23)N1 587762649 ZASPAMDYTVOFRQ-NSPYISDASA-N 388.284 4.273 0 1 GIAF CC(=O)Oc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587808724 HIBJAUSDHWHBIX-MLCYQJTMSA-N 378.241 4.137 0 1 GIAF Cc1cc([C@@]2(c3ccccc3Br)NCCc3ccc(O)cc32)ccn1 963354335 WHODYRJWTXMOOF-NRFANRHFSA-N 395.300 4.296 0 1 GIAF c1ccc(CC2CCN(CCn3nnnc3-c3cccc4ccccc34)CC2)cc1 1772615709 TWUUROJCSNPHBL-UHFFFAOYSA-N 397.526 4.448 0 1 GIAF COc1ccc(-n2nnc3c2CC[C@@]2(C=Cc4cc(Cl)ccc4O2)C3)cc1 1857595474 PLVJMDCEMJPJMI-NRFANRHFSA-N 379.847 4.263 0 1 GIAF COc1ccc(CCNc2cc3c(nn2)Oc2ccccc2N3C)cc1OC 6791536 QXNDQEGHOVJVEA-UHFFFAOYSA-N 378.432 4.022 0 1 GIAF CCCCN(C)C(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 6819379 JWMXCRRJJAIFDN-VXKWHMMOSA-N 389.499 4.337 0 1 GIAF Cc1c(C(=O)c2ccnc3ccccc23)c2ccccc2n1CCN1CCOCC1 13742593 RUYLJWCMDPFLPM-UHFFFAOYSA-N 399.494 4.061 0 1 GIAF O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2ccccn2)CC1 13782291 PNMHCCSTZBRPCO-UHFFFAOYSA-N 378.303 4.030 0 1 GIAF N=C(NCCCc1c[nH]cn1)NCC[C@H](Cc1ccccc1)c1ccc(F)cc1 13816587 ONAVRKQWVRBIKW-HXUWFJFHSA-N 393.510 4.012 0 1 GIAF COc1c(-c2ccc(O)cc2)oc2c(OC)c(O)c(CC=C(C)C)c(O)c2c1=O 14648372 WNCWVGUJEUECML-UHFFFAOYSA-N 398.411 4.103 0 1 GIAF biogenic CN1[C@H]2CC[C@@H]1CN(CCOC(c1ccc(F)cc1)c1ccc(F)cc1)CC2 22940922 KNMBXTMXDMSENI-FCHUYYIVSA-N 386.486 4.239 0 1 GIAF O=C(Nc1ccc(F)cc1F)[C@@H]1C(=O)N2c3ccccc3CCc3cccc1c32 26165408 GVIHCQGAPIJNIA-HXUWFJFHSA-N 390.389 4.464 0 1 GIAF O=C(C(=O)N1CCCC[C@@H]1C(=O)OCCCC1CCCCC1)C1CCCCC1 27561283 UKRQXJTZXSEWIU-HXUWFJFHSA-N 391.552 4.421 0 1 GIAF CC1CCN(c2ccccc2[C@H](C)NC(=O)Cc2ccc(C(=O)O)cc2)CC1 27617294 CKEABFAFOPPWSH-KRWDZBQOSA-N 380.488 4.041 0 1 GIAF CN1CCN(COc2ccc(-c3cc(-c4ccc(Cl)cc4)on3)cc2)CC1 28372079 NVLHKTOMQVFFFR-UHFFFAOYSA-N 383.879 4.246 0 1 GIAF COC(=O)[C@@]1(c2ccc(OC)cc2)C[C@H]1CN1CCC(Cc2ccccc2)CC1 28635007 KNKFPQOWTXYRMB-WIOPSUGQSA-N 393.527 4.081 0 1 GIAF CN(C(=O)c1cccc2c1C(=O)c1ccccc1-2)c1ccccc1-n1cccn1 40878530 IDZZHHYDZHOISJ-UHFFFAOYSA-N 379.419 4.360 0 1 GIAF Nc1c(C(=O)c2ccc(F)cc2F)cc[n+]([O-])c1-c1c(Cl)cccc1Cl 43121610 SEVRYPUOXVSTKA-UHFFFAOYSA-N 395.192 4.385 0 1 GIAF O=C1O/C(=C\COC(=O)c2ccccc2)C=C1c1ccc(Br)cc1 45368108 WTMHDAVIKALVDB-YBEGLDIGSA-N 385.213 4.130 0 1 GIAF O=S(=O)(c1ccccc1)c1c[nH]c2cccc(CCCN3CCCCC3)c12 45386488 IZXAGSUHTCPYKG-UHFFFAOYSA-N 382.529 4.419 0 1 GIAF in-vitro Cc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1C[C@H](F)CN1C(=O)c1cnccn1 72176626 MBZPPLOZGLHLMF-JXFKEZNVSA-N 396.853 4.426 0 1 GIAF N=C(N)SCc1cccc2c1sc1c(CSC(=N)N)cc(F)cc12 84689490 UDMAYDICQXOIIV-UHFFFAOYSA-N 378.523 4.447 0 1 GIAF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3ccc(O)cc3)C[C@@H]1O2 95553452 FJWUSMYDQXICMB-FNXXIHLHSA-N 381.472 4.024 0 1 GIAF CCNC(=O)OCc1nc(-c2nc(C)cs2)c(-c2ccc3ncsc3c2)[nH]1 95561097 NHZROIXOEQYOMH-UHFFFAOYSA-N 399.501 4.364 0 1 GIAF Cc1ccc(N2C(c3ccccc3)=C(c3ccccc3)[C@H]3C(NN)=NC=N[C@@H]32)cc1 98084645 RQEUIRNAGOHDJJ-WIOPSUGQSA-N 393.494 4.230 0 1 GIAF CNC(=O)c1cccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)c1 144728961 FLYJOUBLZGFLGB-OAQYLSRUSA-N 383.369 4.492 0 1 GIAF CC(C)(CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F 150161168 PZPMTBCIJJWIPY-UHFFFAOYSA-N 382.460 4.491 0 1 GIAF Cc1nc2c(o1)C[C@@H](CN1CCC(c3c[nH]c4cc(F)ccc34)CC1)CC2=O 169322316 RXIUGRLQOGTTNP-AWEZNQCLSA-N 381.451 4.228 0 1 GIAF Nc1ccc(F)cc1NC(=O)c1ccc(CNc2ncnc3ccccc23)cc1 205458777 MIPMEJXQVYGNPO-UHFFFAOYSA-N 387.418 4.216 0 1 GIAF O=C(O)c1sc(-c2ccccc2)cc1N1C(=O)CCC[C@H]1C1CCOCC1 299834617 RNGXWMACOCVVRC-INIZCTEOSA-N 385.485 4.425 0 1 GIAF CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(C(=O)O)cc2)[nH]c2ccccc12 473085204 VTRWJFRLBZTGMO-UHFFFAOYSA-N 392.455 4.364 0 1 GIAF COC(=O)c1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1 586995594 IYJHEOIKCAPBKE-UHFFFAOYSA-N 389.249 4.426 0 1 GIAF Clc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cn1 586997202 BAGNJQDTDKDMNS-OWOJBTEDSA-N 378.613 4.273 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3ccc(C(=O)O)o3)c1)O2 587405194 UZEAYVFIHMRQCC-HXUWFJFHSA-N 393.395 4.154 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](c3ccccc3)Cc3[nH]c(=N)sc31)O2 587415743 WKPPSIYNFOHLBC-RCDICMHDSA-N 391.496 4.037 0 1 GIAF CCOC(=O)[C@]1(c2ccc3ccccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439766 CWBCMGUFWAPMAF-NTKDMRAZSA-N 388.419 4.054 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H]1O[C@H]1c1ccccc1)[C@@H](C2)C3=O 587452127 DHIGNZBVYMVYHN-IODBPXAYSA-N 384.431 4.478 0 1 GIAF COC[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587556444 JQQXJTHGUCBOSX-UGKGYDQZSA-N 398.361 4.174 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nc2c(s1)CCCC2 587615939 AIGPYJWUARIXPK-PXNSSMCTSA-N 379.437 4.430 0 1 GIAF CC(=O)Nc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587746251 ZJHUYJHUAFQCRZ-WLRWDXFRSA-N 391.284 4.344 0 1 GIAF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587773913 SDUVNGKFQAZOPF-BBATYDOGSA-N 379.273 4.180 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cnc3cccnc3c2)N1 587776177 BNRPHWHELZOZAB-WLRWDXFRSA-N 386.268 4.329 0 1 GIAF CCC(=O)OC1=C(C)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587813591 VWHMJFGWFVKONG-ZMZPIMSZSA-N 382.273 4.339 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(OC)cc1 587870377 GOKYSTBXZONFNJ-CQSZACIVSA-N 384.407 4.204 0 1 GIAF CCCc1cccc2c(-c3cnc(-c4cnc(C(=O)O)c(O)c4)s3)n[nH]c12 653785027 WJDBOBHNPJXMAD-UHFFFAOYSA-N 380.429 4.105 0 1 GIAF Cc1ccccc1CN1CCC(CC(=O)NCCc2c[nH]c3ccccc23)CC1 653882138 LZDWBBQKRMLWKK-UHFFFAOYSA-N 389.543 4.437 0 1 GIAF COC(=O)c1ccc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c(C)c1 961329801 ZQMMBDSKOFRLEU-GOSISDBHSA-N 386.289 4.312 0 1 GIAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1c(-c2ccccc2)nn2cc[nH]c(=O)c12 963244588 WQWUQSCOBZUXIL-GAJHUEQPSA-N 398.510 4.436 0 1 GIAF O=C(NC12CC3CC(CC(C3)C1)C2)c1c(F)c2ccccc2n1CCCCO 1772602413 DPSOMSMOIBONCM-UHFFFAOYSA-N 384.495 4.252 0 1 GIAF CCSc1cc(Cl)cc(CS(=O)(=O)Nc2ccc(Cl)nc2O)c1 1857547573 IDTROZMNKNSSPR-UHFFFAOYSA-N 393.317 4.148 0 1 GIAF CCc1cccc(Nc2cc(NC(=O)Nc3cc(OC)cc(OC)c3)ncn2)c1 1857609367 BPKDBHJYCSPHQB-UHFFFAOYSA-N 393.447 4.444 0 1 GIAF Cn1cc(CN2C[C@H](F)[C@H](OCc3nc4ccccc4o3)C2)c2ccccc21 2356299537 KLGIMSFNARLVAU-LAUBAEHRSA-N 379.435 4.059 0 1 GIAF CSc1ccccc1NC(=O)[C@@]1(C)CCN1C(=O)Cc1ccccc1Cl 61928892 FQCKGCUXIPWSLV-HXUWFJFHSA-N 388.920 4.234 0 3 GIAF CS(=O)(=O)Nc1cccc(Nc2nccc3[nH]c(-c4cccc(F)c4)cc23)c1 82078481 BLONMMFRCMFYAC-UHFFFAOYSA-N 396.447 4.484 0 3 GIAF CN(C(=O)COc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1N1CCCC1 6010243 BUFGEOWFEWGNLG-ROUUACIJSA-N 385.335 4.238 0 1 GIAF O=C(O)CCC/C=C1\C[C@@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)c3ccc4c(c3)CCC4)[C@@H]2C1 26147568 RZPKRKCFVWBKBT-ZHEQVYSJSA-N 396.527 4.353 0 1 GIAF CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(CC(=O)O)n1 26180950 UUWBGJKUXGMHST-UHFFFAOYSA-N 385.251 4.216 0 1 GIAF CCCN1CNc2c(c(=O)[nH]c(=S)n2CCc2cc(Cl)ccc2Cl)C1 36380994 ISUCYIQQWYSXPT-UHFFFAOYSA-N 399.347 4.050 0 1 GIAF COc1cc2c(cc1OC)Nc1ncnc(N[C@H](C)c3ccccc3)c1NC2 36758617 LPWLEMJTQPNOMS-CYBMUJFWSA-N 377.448 4.336 0 1 GIAF O=C(c1ccc(Oc2ccccc2Cl)nc1)N1CCCN(C2CCC2)CC1 53312998 PRLBUSWIOIVTFT-UHFFFAOYSA-N 385.895 4.228 0 1 GIAF CCN(C[C@@H]1[C@@H](c2ccc(C3=CCCCC3)cc2)[C@@H](CO)N1CC1CC1)C(C)=O 95568714 XUTIJFUQYZOMGK-UBFVSLLYSA-N 396.575 4.051 0 1 GIAF CCCC[C@H](C(=O)O)S(=O)(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 143033621 BGPNOVBBAWIIFM-MRXNPFEDSA-N 384.538 4.404 0 1 GIAF O=C(NCc1ccc(-c2cc(=O)[nH]cc2F)cc1)c1c(Cl)cccc1Cl 147210895 CMKJXIYFWVLQAC-UHFFFAOYSA-N 391.229 4.418 0 1 GIAF C[C@H]1C(=O)[C@H](C)[C@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 195399265 FZHGLOCDHOYYLD-GGILJOMBSA-N 387.483 4.049 0 1 GIAF COc1ccc2c(c1)cc1n2C(C)(C)CN2C(=O)c3cc(F)ccc3N(C)[C@H]12 222002030 WJYRHFGICQHXFN-FQEVSTJZSA-N 379.435 4.129 0 1 GIAF CCN1CCN(CCOc2ccccc2)[C@H]2CCn3c(c(C)c4ccccc43)[C@H]21 253685270 DQXJJEZPKISUDR-ZCYQVOJMSA-N 389.543 4.480 0 1 GIAF CCOC(=O)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2c1 587029642 SCEFZCWFOJAJFS-UHFFFAOYSA-N 379.441 4.442 0 1 GIAF Oc1ccc2scc(-c3nc4cc(I)cnc4[nH]3)c2c1 587033100 SNRACLSMSHCQRS-UHFFFAOYSA-N 393.209 4.150 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(F)cc(F)c3[nH]2)cc1 587040714 ATRIVVZEYGDOAC-INIZCTEOSA-N 389.427 4.128 0 1 GIAF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cccc(F)c2[nH]1 587167724 QVYJAOVUMQJWJB-UHFFFAOYSA-N 391.424 4.370 0 1 GIAF Cc1cc(I)cc(-c2cc3c4c(cccc4n2)CC3)c1N 587213290 QDUYUWQIGGYCIP-UHFFFAOYSA-N 386.236 4.496 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2ccccc2O[C@H]1c1ccccc1 587414492 VQEKCDGLJFYMNW-BJKOFHAPSA-N 385.419 4.298 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1oc(-c4ccc(F)cc4)nc1C)[C@@H](C2)C3=O 587429539 WCJHRTAKCLYWTP-KSFYIVLOSA-N 379.387 4.461 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cn(CC(=O)O)c3ccccc13)CC2=O 587470838 MOBUEKAHENDHBQ-QHCPKHFHSA-N 393.439 4.265 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(OCC)ccc3[nH]c1=O)CC2=O 587491444 SHSVITLMNFICSU-NRFANRHFSA-N 393.439 4.291 0 1 GIAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1Br 587494952 APYKFYMRKNPZAF-QGZVFWFLSA-N 388.261 4.438 0 1 GIAF CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587507601 NNMZDBRWCHAUFB-AVRDEDQJSA-N 389.467 4.248 0 1 GIAF C[C@@]1(c2cc(F)cnc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569003 JJLQYSYTOQVJIU-JXFKEZNVSA-N 385.778 4.457 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnn(C2CCCC2)c1 587580339 HRQUTCQXBGDBOT-KNQAVFIVSA-N 376.412 4.407 0 1 GIAF CCC[C@H](C(=O)OCC)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800279 WOWZHYJCCVTXNM-SRBZOADZSA-N 386.305 4.317 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@@]2(C(=O)O)C3(C)C)N1 587824945 DSNYMPOKHZHACI-LLRCKHJESA-N 396.300 4.229 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](C(=O)O)C(C)(C)[C@H]2C)N1 587828160 RYDDFCPZLAUHPK-NTYADDQOSA-N 398.316 4.475 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CC2CCC3(CC2)OCCO3)N1 587837622 JJRRUDDRXKNIOP-XIKOKIGWSA-N 398.316 4.487 0 1 GIAF CCSc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587842004 CXNWFFGIOVADTG-BJOHPYRUSA-N 382.302 4.114 0 1 GIAF C[C@]1(c2ccsc2C(=O)O)c2cccc(F)c2CCN1[C@H]1CCSC1 962722130 YVKPHAXJLOFHQN-HXPMCKFVSA-N 377.506 4.213 0 1 GIAF CCOC(=O)c1c(C(C)C)oc2nc(N3CCN(c4ccccc4)CC3)ccc12 1857563170 RBCFITLLPJKULB-UHFFFAOYSA-N 393.487 4.455 0 1 GIAF O=C(Nc1ccc(F)cc1)c1cccc(NS(=O)(=O)C2CCCCC2)c1 1857748082 RFJTVLNJMFHISD-UHFFFAOYSA-N 376.453 4.152 0 1 GIAF CCc1c(C(=O)N[C@H](CO)Cc2ccccc2)[nH]c2ccc(C(F)(F)F)cc12 1857763814 QNHQLBLUWHLFSC-HNNXBMFYSA-N 390.405 4.083 0 1 GIAF CC=C(C)OC(=O)[C@@H](C)[C@H](C(=O)OC(C)=CC)c1cc(OC)c2c(c1)OCO2 2356382528 DLOGZYOXRJGVDW-KSSFIOAISA-N 390.432 4.077 0 1 GIAF O=C(NCC1CC1)[C@H]1Cc2c(-c3ccccc3Oc3ccccc3)ccnc2O1 61930814 IRCBIOSXQNTUNU-JOCHJYFZSA-N 386.451 4.371 0 3 GIAF COc1cc(O)c([C@@H](CC(=O)N2CCC[C@H](C)C2)c2ccccc2)c(OC)c1 198043355 OPRCOTADQGJAND-LPHOPBHVSA-N 383.488 4.190 0 3 GIAF CN(C)C(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl 4081785 BURFYDAJPFCHAP-DOTOQJQBSA-N 381.234 4.313 0 1 GIAF O=C(CNC1CC1)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1Cl 4573815 UDOXZIRZMSVFOZ-GOSISDBHSA-N 381.328 4.281 0 1 GIAF CNCC[C@@H](Oc1ccc(I)c(C)c1)c1ccccc1 13730732 OBJQLMFHBBSOPP-QGZVFWFLSA-N 381.257 4.329 0 1 GIAF CN(C)C(=O)C[C@]1(O)CCC[C@H](/C=C/[C@@](C)(O)CCCCc2ccccc2)C1 27561787 DYNDZRFWNRTMKY-CTOUTQHJSA-N 387.564 4.106 0 1 GIAF COc1cccc(CN2CC[C@H](NC(=O)c3ccc(-c4cccs4)cc3)C2)c1 28529690 CIYMLKKXWWZEQT-FQEVSTJZSA-N 392.524 4.428 0 1 GIAF CCc1c2c(nc3ccc(Cl)cc13)-c1cc3c(CO)cccc3c(=O)n1C2 29126187 ZZNQKDGDXTXFDJ-UHFFFAOYSA-N 376.843 4.287 0 1 GIAF c1ccc(Sc2ncnc3ncn([C@H]4COc5ccccc5CO4)c23)cc1 40866609 LKRWMALTESLYPY-QGZVFWFLSA-N 376.441 4.085 0 1 GIAF COc1ccc(NC(=O)[C@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)cc1OC 58603603 AMXSPDWSLHYSFU-QGZVFWFLSA-N 398.459 4.009 0 1 GIAF CC(=O)c1ccc(CN2C(=O)c3ccccc3[C@@]2(O)c2ccc(Cl)cc2)cc1 66101361 WPVMCSFCDNXBJK-QHCPKHFHSA-N 391.854 4.392 0 1 GIAF CCCc1ncc(Cc2ccc3oc(=O)[nH]c3c2)c2cc(OC)c(OC)cc12 148678703 HVRCBGSUJWSCCS-UHFFFAOYSA-N 378.428 4.230 0 1 GIAF O=c1c2c(-c3ccccc3)cc(-c3cccs3)nc2nc2[nH][nH]c(=S)n12 169352769 TXTYFGWPFQAHRR-UHFFFAOYSA-N 377.454 4.024 0 1 GIAF O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1cccc(Cl)c1 299827348 GGAAHCQQPUDPSG-UHFFFAOYSA-N 389.842 4.356 0 1 GIAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 586922020 KIFIKJWUNHEGOJ-UHFFFAOYSA-N 399.697 4.439 0 1 GIAF Cc1cc(Br)ccc1OCc1nc2ccc(Br)nc2[nH]1 586980599 BJXYGQKLEJGVFS-UHFFFAOYSA-N 397.070 4.370 0 1 GIAF Oc1nc(O)c2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2n1 587082341 LFKJLLNVFBNGGJ-UHFFFAOYSA-N 389.802 4.300 0 1 GIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(C)c(F)cc2[nH]1 587113175 OYHULAHVLQCTIK-GOSISDBHSA-N 379.357 4.429 0 1 GIAF O=C(c1nc2ncc(Br)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133693 ZTFCLMSXJRYQNO-UHFFFAOYSA-N 389.011 4.397 0 1 GIAF Cn1cc(Cl)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587332023 QNMMBDUYOXSZAG-PXNSSMCTSA-N 386.810 4.193 0 1 GIAF O=N[C@@H]1Cc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587338327 PPSNERMHMNLBJZ-GIWBLDEGSA-N 389.382 4.477 0 1 GIAF Cc1ncn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587339909 GVBVBIUNLBYSJR-RBBKRZOGSA-N 380.419 4.162 0 1 GIAF CCOC(=O)CC[C@]1(C2CC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344028 BJGLYJGIFVNQEB-FYYLOGMGSA-N 398.430 4.382 0 1 GIAF O=C(O)C[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587355298 UFELTAKQKWFTRM-JTHBVZDNSA-N 392.382 4.260 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Br)ccc2NC12CC2 587370236 CTBOVUQSTPQJCA-IBGZPJMESA-N 385.261 4.159 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(=O)(=O)CC3CCCC3)cc1)O2 587410090 QDZJLPJEYKYBTQ-OAQYLSRUSA-N 399.512 4.248 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1[nH]c2nccc-2cc1F 587567187 FXLJNVUQUXOMDR-OXJNMPFZSA-N 376.343 4.062 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587593935 GCJIMABVDDXUPG-LZOXNYCHSA-N 396.439 4.092 0 1 GIAF Cc1cccc(OCc2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)o2)c1 587651705 CONINSJPHSBWDG-UHFFFAOYSA-N 394.814 4.219 0 1 GIAF COc1ccccc1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661321 WXUZFAZHTRCEGF-UHFFFAOYSA-N 388.398 4.094 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3ccc(F)cc23)N1 587729934 IIPZBDLTKNDEIO-RBHXEPJQSA-N 378.220 4.227 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cc(F)cc(F)c32)N1 587737709 GQLZIDMHRWDSDX-LZVRBXCZSA-N 398.222 4.427 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(-c3ccccc3)cn2)N1 587751850 BDVFKQXVPGQYFZ-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587809523 UFBUXZSUSUCLIJ-MGNBDDOMSA-N 380.257 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3c(O)cccc32)N1 587835719 XRBCIJUARVQXOI-WLRWDXFRSA-N 376.269 4.408 0 1 GIAF COC(=O)c1ccnc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)[nH]c12 587928513 IAAMAEQJSQOSNI-UHFFFAOYSA-N 389.411 4.096 0 1 GIAF Oc1cccc2ccc([C@@H]3NC4(CC4)Cc4ccc(Br)cc43)nc12 961751996 ULUBKMUDEWNCGM-LJQANCHMSA-N 381.273 4.471 0 1 GIAF COc1ccc(C[C@@H]2CCC[C@]3(C2)NC[C@H]2CC(=O)N(C)c4cccc3c42)cc1 963036752 VIFDROJFNFMXDT-OSWQYVSFSA-N 390.527 4.377 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2cc3nccc(Cl)c3s2)N1 963240256 YPAOSLXIEJMUBZ-WMZOPIPTSA-N 395.871 4.186 0 1 GIAF Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1ccc(-c3ccccc3)cn1)C2=O 1857585043 KNCJLKYOTUYVEJ-UHFFFAOYSA-N 399.450 4.072 0 1 GIAF COc1cccc(-c2cnc3n[nH]c(-c4cc(OC)c(OC)c(OC)c4)c3c2)c1 1857594502 DCRDUTZKFGGZFO-UHFFFAOYSA-N 391.427 4.326 0 1 GIAF CCOc1cccc(-c2cn3c(-c4ccc(C(=O)N(C)C)cc4)cnc3cn2)c1 1857599494 LBWGOEZGFNKSQS-UHFFFAOYSA-N 386.455 4.164 0 1 GIAF CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3[C@@H](O)Cc3cccnc32)CC1 1911575180 GXGJCQKYFGCNLT-IBGZPJMESA-N 398.890 4.379 0 1 GIAF O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)OCCN1CCCCC1 3428925 BDNLUVYZRWCVLO-CCZBSFLLSA-N 384.358 4.140 0 1 GIAF CCN(Cc1ccc(Cl)c(Cl)c1)c1ccc2nc(N)nc(N)c2c1C 13283510 VADOLDYAUSTMFK-UHFFFAOYSA-N 376.291 4.436 0 1 GIAF O=C(CCCc1ccccc1)NCCCN1CCC2(CCc3ccccc32)CC1 13679939 SLJZYRVGYQVITF-UHFFFAOYSA-N 390.571 4.496 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 33820943 DRRSNCIMGYJXBW-PABOKLNHSA-N 390.564 4.400 0 1 GIAF COc1cc(Nc2cncc(-c3cccc(NC(C)=O)c3)c2)cc(OC)c1OC 35847590 RFWVAJYFTBJQFF-UHFFFAOYSA-N 393.443 4.476 0 1 GIAF CCCCOC(=O)C1=CCCC[C@@H]1S(=O)(=O)Cc1ccc(F)cc1Cl 40393011 ZUVYKUHMPDTEMI-KRWDZBQOSA-N 388.888 4.216 0 1 GIAF CC(C)NC(=N)c1ccc(-c2cc3cc(C(=N)NC(C)C)ccc3o2)c(O)c1 40939423 OHBIZPSIGVROPK-UHFFFAOYSA-N 378.476 4.452 0 1 GIAF CC(=O)Nc1nc2ccc(-c3ccnc(OCc4cccc(F)c4)n3)cc2s1 71316780 KPSJQWFSOCYFSQ-UHFFFAOYSA-N 394.431 4.430 0 1 GIAF C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1 72108585 PVSCDTBWUUAXJQ-LJQANCHMSA-N 389.499 4.153 0 1 GIAF CC[C@H](Oc1cccc2ccc(-c3nnc4ccccn34)nc12)[C@H](CC)CN 96174980 AZSRVVPUAZTMAY-QAPCUYQASA-N 375.476 4.087 0 1 GIAF O=S(=O)(/C=C/c1ccc(OC(F)F)c(OC(F)F)c1)Nc1ccccc1 103250079 KRWPUXMRKOIVMG-CMDGGOBGSA-N 391.342 4.302 0 1 GIAF Cc1ccc(N2CCc3ncnc(N[C@@H](C)c4cc(F)cc(F)c4)c3C2)nc1 114995141 STMMULZVHSKPDR-AWEZNQCLSA-N 381.430 4.194 0 1 GIAF C[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)Cc2nnn(-c3ccccc3)c21 218497710 HRVGMFIVQKUQSO-GFCCVEGCSA-N 387.270 4.334 0 1 GIAF Cn1c(CN2C[C@@H]3[C@@H](COc4ccc(Cl)cc4F)[C@@H]3C2)nc2ccccc21 253664612 COZAYWMOVJHAOV-ZSHCYNCHSA-N 385.870 4.123 0 1 GIAF O=C(O)Cc1ccc(CNc2nc(-c3cccc(Cl)c3)nc(C3CC3)n2)cc1 299835301 XVPFCANOIMFWMR-UHFFFAOYSA-N 394.862 4.309 0 1 GIAF COc1cc(CNCCCCN2CCC(Cc3ccccc3)CC2)ccc1O 299858460 RYPUHFMWTFTCBW-UHFFFAOYSA-N 382.548 4.225 0 1 GIAF CC(C)C[C@H](O)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586900123 AGYPLZUQHVEUHI-KRWDZBQOSA-N 393.896 4.097 0 1 GIAF COc1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 586922637 XXUHZKQGMRMJNQ-UHFFFAOYSA-N 378.453 4.212 0 1 GIAF COc1cc2nc(-c3cnn4cccc(Br)c34)[nH]c2cc1Cl 587007057 VBTNRHDRSSMTAO-UHFFFAOYSA-N 377.629 4.302 0 1 GIAF Clc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2nc1Cl 587007240 OVUBTYQKXBFVCR-UHFFFAOYSA-N 383.036 4.342 0 1 GIAF Cc1ccc2c(ccc3[nH]c(-c4cc(Cn5ccc(C(F)(F)F)n5)on4)nc32)n1 587119508 YRCNZKALZYBICM-UHFFFAOYSA-N 398.348 4.338 0 1 GIAF O=C1C[C@@H](c2nc3ccc4c(c3[nH]2)CCCC4)CN1Cc1ccc(F)cc1F 587147956 DMWFAJBBXAZIPX-OAHLLOKOSA-N 381.426 4.236 0 1 GIAF CN(C)c1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)nc1 587194832 OXYLTRCZWHFBMD-UHFFFAOYSA-N 385.187 4.472 0 1 GIAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccc(Oc3ccccc3)cc2[nH]1 587232267 VLHDLRSHLZYRKS-RBUKOAKNSA-N 393.487 4.392 0 1 GIAF C=CC(=O)Nc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 587244756 TZIZJZJZTKRNCG-UHFFFAOYSA-N 377.629 4.165 0 1 GIAF Cc1ccc([C@@]2(CO)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587351688 JGTGFZGSGBMTQD-FYYLOGMGSA-N 378.399 4.086 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)Nc2c(C(F)(F)F)cc(Cl)cc21 587382708 NXKPDZXHXYTRQT-QGZVFWFLSA-N 396.752 4.062 0 1 GIAF COC(=O)c1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1N1CCCCC1 587398832 IJKROXXWPIVWJR-OAQYLSRUSA-N 394.471 4.061 0 1 GIAF CCOC(=O)[C@H](C(C)C)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442001 NPHGIYDZGCBKRH-ZHRMCQFGSA-N 394.467 4.173 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(Cl)cc1)CC2=O 587462943 RQNKNEUAVAFYCK-OAQYLSRUSA-N 388.847 4.422 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cc(C)ccc1OC)CC2=O 587482182 SLIRUIAYRVXWLY-HSZRJFAPSA-N 398.455 4.387 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3cc(C(=O)O)ccc13)CC2=O 587482582 JNFFXVKHWRUZDJ-QFIPXVFZSA-N 379.412 4.405 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518334 GEDMEMBBEPUBBL-KVPLUYHFSA-N 383.488 4.012 0 1 GIAF Nc1cc2c(cc1Cl)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587551679 IJOMLOSIYAGDJW-SIKLNZKXSA-N 393.826 4.431 0 1 GIAF C[C@]1(c2cnc3cccnc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587584527 ATWLFERCHZDPOS-NFBKMPQASA-N 384.391 4.212 0 1 GIAF COc1ccnc(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587702766 FGAOZWFHMHGAJL-VXJOIVPMSA-N 385.664 4.269 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(C(=O)O)c2)N1 587714248 DXLKZGFIGXQBMQ-VPTHRUTESA-N 382.204 4.049 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccc(C(F)(F)F)n2)N1 587716355 UTCVNBSSEYOCPC-WPPNPWJKSA-N 390.178 4.021 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc3ccccc3n2C)N1 587758089 PJADKKPZKFNBER-JEOXALJRSA-N 388.284 4.273 0 1 GIAF CC(C)Oc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587769544 GOYUOFPVZCNUTD-ZMZPIMSZSA-N 379.273 4.394 0 1 GIAF COc1ccc(C[C@H](C)c2nc3ccc(Br)c(O)c3[nH]2)cc1OC 587925641 FTBIUYDHBUBJFM-JTQLQIEISA-N 391.265 4.394 0 1 GIAF COc1ccc([C@H](O)[C@@H](C)c2nc3ccc(Br)c(C)c3[nH]2)cc1 587938327 UYMMWGRMNBIVIT-PIGZYNQJSA-N 375.266 4.480 0 1 GIAF CC(C)c1cc(O)ccc1[C@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962664017 KHZSSICKSYKJHQ-QPPBQGQZSA-N 390.483 4.252 0 1 GIAF O=C(O)CCC[C@]1(c2cccnc2)c2ccsc2CCN1Cc1ccco1 962709497 NXMVNKVUCBNJQL-NRFANRHFSA-N 382.485 4.293 0 1 GIAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3ccccc3)c2)c1 1772574749 RTBFUILJTDEINN-UHFFFAOYSA-N 388.427 4.178 0 1 GIAF Cc1cc(=O)oc2cc(NC(=O)CCCCCNC(=O)OC(C)(C)C)ccc12 1772619132 DNJIGVIROLEMSE-UHFFFAOYSA-N 388.464 4.125 0 1 GIAF Cc1cc(-c2nc(-c3ccc(OC(F)F)c(F)c3)n3c2CCOCC3)ccn1 1772635452 UPHLMRJPWCHFCX-UHFFFAOYSA-N 389.377 4.234 0 1 GIAF CC[C@H](C)C[C@H](C)[C@H](O)[C@H](C)C=C(C)[C@@H](O)[C@H](C)c1cc(O)c(C)c(=O)o1 2356521031 HKDIFJFYZMZJPA-ZZRHZXCXSA-N 380.525 4.134 0 1 GIAF O=C1CN(C(=O)c2ccco2)[C@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1 2456390 GGNFBPXACPJKDM-LJQANCHMSA-N 384.794 4.256 0 3 GIAF COc1cccc([C@@H]2C[C@@H](c3c(Cl)cccc3Cl)n3nc(N)nc3N2)c1 12469452 SRPHZJWELMANIS-GJZGRUSLSA-N 390.274 4.322 0 3 GIAF aggregator O=C(c1cccc(Cl)c1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@H]2C1 205220466 ANTVWJJYSNQDDH-SWLSCSKDSA-N 379.218 4.008 0 3 GIAF Brc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)s1 4149027 HSAXIEZZUAOYKI-UHFFFAOYSA-N 377.292 4.127 0 1 GIAF O=C(CCN1N=C(c2ccccc2)CCC1=O)Nc1cccc(C(F)(F)F)c1 5135834 NYSYZDLFRZOQAE-UHFFFAOYSA-N 389.377 4.061 0 1 GIAF C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)C[C@H]3O[C@@]312 6482656 HZADOWFVVLRJEB-YMQSAMHXSA-N 378.468 4.163 0 1 GIAF COc1ccc([C@@H]2CC(=O)[C@@H]3C(=Nc4ncnn4[C@@H]3c3ccccc3C)C2)cc1 6498677 OTESNLJUGSNVQZ-WQTXXOFMSA-N 386.455 4.034 0 1 GIAF O=C(O)CCC/C=C1\C[C@H]2C[C@@H](O)[C@H](/C=C/[C@@H](O)[C@@H]3CCc4ccccc43)[C@@H]2C1 26154710 GNAKQYNBEYESRS-UVOBVPJMSA-N 396.527 4.222 0 1 GIAF COc1ccc([C@H](CCN(C)CC(=O)O)Oc2ccc(C(F)(F)F)cc2)cc1 26162287 UWZVQOBARGQNJS-SFHVURJKSA-N 397.393 4.241 0 1 GIAF C[C@H](CCCCC(=O)Nc1ccccc1C(F)(F)F)NCCc1c[nH]cn1 26254748 UDEWZBIDDHRLSM-CQSZACIVSA-N 382.430 4.148 0 1 GIAF CCCC(=O)Nc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 28345306 DUEHVXKBTMKLPU-UHFFFAOYSA-N 390.468 4.427 0 1 GIAF COc1ccc([C@H]2[C@H]([C@H](O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 29565619 JBUUXMRKJQWOHR-SGNDLWITSA-N 387.479 4.393 0 1 GIAF C[C@@H](Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12)C(F)(F)F 33987636 MGSIJDCPNJZOHF-RXMQYKEDSA-N 395.694 4.225 0 1 GIAF Cc1ccc(NC(=S)OCCN2C(=O)c3ccc(C(C)(C)C)cc3C2=O)cc1 40405672 LNKRMYDGSXJIGR-UHFFFAOYSA-N 396.512 4.302 0 1 GIAF O=S1(=O)CCCC2=C1[C@H](c1cccc(Cl)c1)c1cc3c(cc1N2)OCO3 40943427 PLUWSYKLCMOCEQ-GOSISDBHSA-N 389.860 4.046 0 1 GIAF c1ccc(CCCN2CCC3(CC2)OCCc2c3cnn2-c2ccccc2)cc1 53293952 XCOGRBOZWVVVII-UHFFFAOYSA-N 387.527 4.369 0 1 GIAF CN(C[C@@H]1CCCCO1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 66136696 BLKRAMWEOYMPGU-KRWDZBQOSA-N 377.444 4.031 0 1 GIAF CN(C[C@H]1CCCCO1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 66136697 BLKRAMWEOYMPGU-QGZVFWFLSA-N 377.444 4.031 0 1 GIAF Cn1cc(-c2ccc(OCc3ccccc3)c(C(=O)Nc3cccnc3)c2)cn1 68267179 QXVXLYHFCBRKHI-UHFFFAOYSA-N 384.439 4.313 0 1 GIAF Cc1ccc(C(=O)N/C(C(=O)N2CCCCC2)=C(\Cl)c2ccccc2)cc1 72142541 RRACHEGGRZIRSV-VXPUYCOJSA-N 382.891 4.345 0 1 GIAF CCN(C)C(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccco1 82142898 LYYXSDZHSDMSMG-JHNDHUHGSA-N 382.508 4.311 0 1 GIAF Cc1ccc(CNc2ncnc3c2nc(-c2ccoc2)n3C[C@@H]2CCCO2)cc1 82179208 YLSOFVZRDKFFKR-SFHVURJKSA-N 389.459 4.186 0 1 GIAF COCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2cccc(C)c2)cs1 82195310 DOMXWBFXPGFBET-KRWDZBQOSA-N 375.538 4.098 0 1 GIAF COC(=O)C1=Cc2c([nH]c3ccccc23)C(C(=O)O)=Cc2c1[nH]c1ccccc21 85965545 HRCWZKWCFDIXMA-UHFFFAOYSA-N 384.391 4.301 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@H]2CC[C@@H]1N2C/C=C/C[18F] 102058048 FXIKVFNIIRHKBX-HQIMTIOZSA-N 395.303 4.084 0 1 GIAF O=C(Nc1nc2ccc3[nH]ncc3c2s1)[C@H]1CCCN1c1ccc(Cl)cc1 202052499 WPUAUVLQGGVTCY-MRXNPFEDSA-N 397.891 4.434 0 1 GIAF Cc1ccnc(Nc2cc([C@@H]3CCCN(C(=O)c4ccccc4)C3)nc(C)n2)c1 221708176 MVRFKJDYYPKRFL-LJQANCHMSA-N 387.487 4.252 0 1 GIAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Br)c(Cl)c1 253850736 GBSHIUSLZXGHTO-HHRMTGIUSA-N 396.712 4.142 0 1 GIAF COc1cc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2cc1C 586965572 LUYYMGYLJHJPBU-UHFFFAOYSA-N 379.489 4.276 0 1 GIAF O=C(Nc1ccc(Cc2nc3cccnc3[nH]2)cc1)c1ccc(Br)o1 587007939 QMCABRVDTIQJQF-UHFFFAOYSA-N 397.232 4.157 0 1 GIAF Cc1ccc2c(ccc3nc([C@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c32)n1 587148259 HDEIMLQHDCLIDH-AWEZNQCLSA-N 392.409 4.214 0 1 GIAF COC(=O)c1cc2nc(Cc3cccc(-c4ccc(F)cc4OC)c3)[nH]c2cn1 587159217 NCJSKYULBXQOHP-UHFFFAOYSA-N 391.402 4.150 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC(F)(F)F)c(F)c1)[C@@H](C2)C3=O 587418235 BODHCJMTLPKFKL-SGTLLEGYSA-N 382.309 4.264 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1coc3ccc(OC)cc3c1=O)CC2=O 587492475 QSRVRCYFTVCEME-HXUWFJFHSA-N 380.396 4.166 0 1 GIAF CN(C)/C=C/[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587514925 XTBCFKCWNBSUSI-LCJITAHGSA-N 391.467 4.230 0 1 GIAF COc1ccc2c(c1)[C@H](CC(=O)O)C[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587528056 YWMHEBFYYCDHHX-OYLFLEFRSA-N 392.451 4.397 0 1 GIAF CCCCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2c(C)cc(Cl)cc12 587627252 QWWTYXKXXIUVNV-KRWDZBQOSA-N 390.911 4.227 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCOc3c(F)cccc32)N1 587737819 HOIWSLOCMYXYMG-YPMLDQLKSA-N 380.232 4.288 0 1 GIAF CC(=O)Nc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587746252 ZJHUYJHUAFQCRZ-WYRIXSBYSA-N 391.284 4.344 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnn(-c3ccccc3)c2)N1 587761514 VBISOBWYAMAFMI-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(C3CCCC3)CC2)N1 587767759 KPCCROJKFUYTJK-CYBMUJFWSA-N 381.333 4.356 0 1 GIAF CCOC(=O)C[C@@]1(CC(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587792242 BDAXPPJDLCENBC-KPZWWZAWSA-N 386.305 4.317 0 1 GIAF COc1ccc(OC)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587809242 RYLVPESLPZGJCQ-YPMLDQLKSA-N 380.257 4.229 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)[C@]1(C)CC[C@H]2C1(C)C 587817555 MGADWBINPZIUPX-OFFDWMBJSA-N 380.301 4.343 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CC2CCC3(CC2)OCCO3)N1 587837619 JJRRUDDRXKNIOP-KPZWWZAWSA-N 398.316 4.487 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cn1c(C)nc2ccccc21 587871584 KLOVJVXLZTWKGO-UHFFFAOYSA-N 378.407 4.086 0 1 GIAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(F)cc(Br)c3[nH]2)cc1 587934401 DJXJQNXAZBSLFK-XXFAHNHDSA-N 379.229 4.310 0 1 GIAF c1coc(-c2nc3nc(NC4CCCCC4)nc(NC4CCCCC4)n3n2)c1 653761000 VJFXMMSUQDAMEU-UHFFFAOYSA-N 381.484 4.269 0 1 GIAF CCCOc1ccccc1[C@@]1(CN)c2ccsc2CCN1Cc1cccn1C 962397638 KHOXNGPIAMIGCB-QHCPKHFHSA-N 395.572 4.136 0 1 GIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](Cc2ccccc2Cl)N1 962690433 AGWHQNMRXOIQGX-HZPDHXFCSA-N 387.760 4.381 0 1 GIAF CN1CCc2c(Br)cccc2[C@]12CCC[C@@H]2NC(=O)OC(C)(C)C 963278418 BBZOWLHTWRJPAV-LPHOPBHVSA-N 395.341 4.210 0 1 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@H](OC(=O)C(C)C)CC[C@@H](C)[C@]12C 2356457655 XHTHGRNWGBDAAM-GCTFAOMCSA-N 376.449 4.009 0 1 GIAF NC(=O)C1CCN(c2nc(-c3ccc(OCc4ccccc4)cc3)cs2)CC1 36381456 UYSMPENUGIWEPP-UHFFFAOYSA-N 393.512 4.091 0 3 GIAF O=C(NCCCc1ccccc1)O[C@@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205708249 LNMKLLAEXSQYED-MIZPHKNDSA-N 384.520 4.059 0 3 GIAF CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCC2)[C@H]1c1c[nH]c2ccccc12 2469389 CPUXQGIRJMCVBT-FGZHOGPDSA-N 387.483 4.137 0 1 GIAF COc1c2c(c(OC)c3occc13)O[C@@H](c1ccc3c(c1)OCO3)C[C@H]2OC 13376244 OWINHPGFEPOUFB-GDBMZVCRSA-N 384.384 4.390 0 1 GIAF biogenic Cc1ccc(NC(=O)N[C@H]2C[C@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1 13455315 SPFYQISIAZRTPO-LSDHHAIUSA-N 394.258 4.433 0 1 GIAF CCCCc1ccc(C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 27742437 SLOPYEAGDAPADE-UHFFFAOYSA-N 399.498 4.395 0 1 GIAF CC(C)c1ccc2oc(N[C@H](Cc3ccc(F)cc3)C3=CN(C)NO3)nc2c1 28020351 QHPVFRZERFDNLM-QGZVFWFLSA-N 382.439 4.337 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2)c2ccccc12 35242623 HOPPMXHUKFSUEE-UHFFFAOYSA-N 382.485 4.123 0 1 GIAF Cc1c(NS(C)(=O)=O)c(C)c2ccn(CC(C)C)c2c1NC(=O)C(C)(C)C 43012034 JZIHZGUQHBMYSY-UHFFFAOYSA-N 393.553 4.270 0 1 GIAF Cc1cccc(NC(=O)c2ccc(C(F)F)o2)c1N1CCC2(CC1)OCCO2 62241961 RTMJIFPHPQZXEZ-UHFFFAOYSA-N 392.402 4.121 0 1 GIAF CC(C)c1nccn1C[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1 73161267 HWYMPDINUKEZLP-HXUWFJFHSA-N 392.499 4.262 0 1 GIAF O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCN(C2CCCCC2)CC1 82230250 PTJSLANSTTZQSI-UHFFFAOYSA-N 396.512 4.098 0 1 GIAF O=C(Nc1ccc(F)cc1)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1 100106557 AZMZMZUTRVPLLR-JKHIJQBDSA-N 387.458 4.464 0 1 GIAF CCOC(=O)CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1 100705719 WSLAZXMVEFNRNI-UHFFFAOYSA-N 397.431 4.025 0 1 GIAF CN1CCN([C@H]2CC[C@@H](c3ccc(OCCCN4CCCCC4)cc3)CC2)CC1 101437338 CAGJHEKGANXSNK-HCGLCNNCSA-N 399.623 4.215 0 1 GIAF COc1cc2c(c(OC)c1O)CCCC=C2c1cc(OC)c(OC)c(OC)c1 103291469 JYXFHPKUJKAWCW-UHFFFAOYSA-N 386.444 4.203 0 1 GIAF Cc1nc(-c2cccc(F)c2)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)o1 103294241 ULMNXYUQHFVLLD-UHFFFAOYSA-N 399.853 4.405 0 1 GIAF CCN(Cc1ccccn1)c1ccc(C(=O)N2CCc3ccc(O)cc3C2)cc1 103301227 ATJKYUIGIAFCSU-UHFFFAOYSA-N 387.483 4.012 0 1 GIAF CCCCNC(=O)[C@@H]1C(C)=Nc2ccnn2[C@H]1c1ccc(Cl)c(Cl)c1 169720754 IRDRQDLCRGLRFE-SJORKVTESA-N 379.291 4.418 0 1 GIAF Cc1nc(N)cc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1 224808861 YEKSJDOLZDYZNZ-UHFFFAOYSA-N 388.406 4.005 0 1 GIAF Cn1c(CN2C[C@@H]3[C@H](COc4ccc(Cl)cc4F)[C@@H]3C2)nc2ccccc21 253664608 COZAYWMOVJHAOV-MUJYYYPQSA-N 385.870 4.123 0 1 GIAF CN1CC=CCCOc2cccc(c2)-c2ccnc(n2)Nc2cc(N)cc(c2)C1 254119815 JCRCSNBABSGPEN-UHFFFAOYSA-N 387.487 4.240 0 1 GIAF Cc1ccc(-n2ccnc2SCc2nc3ccc([C@H](N)N=O)cc3[nH]2)c(C)c1 586966409 MOADJIAZRYOKOI-LJQANCHMSA-N 392.488 4.381 0 1 GIAF Cc1ccc(-n2cnnc2SCc2nc3c(Cl)ccnc3[nH]2)cc1Cl 586968672 URVZWVYAJFMYKU-UHFFFAOYSA-N 391.287 4.446 0 1 GIAF CCCC[C@]1(CC(=O)OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353965 SHLYCTCYQOMQDJ-IFMALSPDSA-N 386.419 4.382 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4nc5ccccc5n4C)o1)[C@@H](C2)C3=O 587433401 XHZVOUNSEZPOOE-FPTDNZKUSA-N 386.407 4.331 0 1 GIAF COc1cc2c3c(c1)O[C@@](CC(=O)Nc1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587433699 UTINTZFZLPDSPT-CPJSRVTESA-N 399.446 4.367 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4O[C@H]1c1ccccc1)[C@@H](C2)C3=O 587451857 BUXIUVUAZFSKQD-WDNCENIBSA-N 398.414 4.198 0 1 GIAF CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587514375 WTXOHBLTVGOXMM-XMMPIXPASA-N 393.483 4.055 0 1 GIAF COc1cc(OC)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587527039 UKUQBJGQBXGBIK-QHCPKHFHSA-N 382.456 4.472 0 1 GIAF COCCn1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587575676 GHQWONRJLUSORN-NZQKXSOJSA-N 393.439 4.160 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]2OCc1ccccc1 587598944 CLTQIJNKWYUSKK-DPLHUUCSSA-N 388.419 4.472 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)Nc2ccccc2)N1 587742652 LLHYNBPOTWLMBD-BLVKFPJESA-N 391.284 4.366 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3cccc(N)c32)N1 587744101 GGKUOPNQNNJOTB-NSPYISDASA-N 375.285 4.285 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccnc2)(c2ccccn2)N1 587769369 FXPDWRFSCXELFZ-RNODOKPDSA-N 398.279 4.204 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2COC3(CCCCC3)O2)N1 587838441 BKDWNGOJJHSDIC-KHIZAZIESA-N 384.289 4.239 0 1 GIAF Cc1cc(-n2c(O)cc(-c3ccccc3F)c2O)nn1Cc1ccccc1F 587944846 IVCOVRBPMDTKAW-UHFFFAOYSA-N 381.382 4.387 0 1 GIAF COCOc1ccccc1[C@]1(C)NC2(CC2)Cc2ccc(Br)cc21 961329066 WULNYLSVUBCLHI-IBGZPJMESA-N 388.305 4.374 0 1 GIAF COc1ccc2c(c1)[C@H](c1cccc(OC)c1OCCN(C)C)N(C(C)C)CC2 962096594 YTKVHTUURBGDHG-QHCPKHFHSA-N 398.547 4.000 0 1 GIAF CC(C)Nc1ncc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)cn1 962645846 RZHYCDGGAPYFNA-ISKFKSNPSA-N 399.542 4.133 0 1 GIAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3cc(F)cc(Cl)c3)N12 962672501 UANRNNPXAVMGRS-RXVVDRJESA-N 384.838 4.215 0 1 GIAF CCCCCOc1c(O)ccc2c1CN1CCc3cc(OC)c(O)cc3[C@@H]1C2 1772631417 WWWIHTTXFJTDIB-IBGZPJMESA-N 383.488 4.331 0 1 GIAF COc1ccc2nc(Cl)c(Cn3nnc(CSc4ccccc4)n3)cc2c1 1772634148 PSZUDXSQWAHIKV-UHFFFAOYSA-N 397.891 4.224 0 1 GIAF Fc1[nH]nnc1-c1ccnc(-c2cn(CCc3cccc4ccccc34)cn2)c1 1857774288 LTPQCYDCWHATJI-UHFFFAOYSA-N 384.418 4.265 0 1 GIAF C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(CSc3nc4ccncc4[nH]3)cc2)C1 18157714 ULLZZWOHDXHGNY-GASCZTMLSA-N 380.517 4.368 0 3 GIAF CN1C[C@@H](C[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c2ccccc21 28240586 OHOJWIUYNABDSD-KNQAVFIVSA-N 395.506 4.493 0 1 GIAF Cc1cc(NC(=O)Nc2ccc(-c3cncc4[nH]nc(N)c34)cc2)ccc1F 29130060 OHAWPPHSUKQECV-UHFFFAOYSA-N 376.395 4.299 0 1 GIAF O=C(O)[C@H]1CCCN(CCO[C@H](c2ccc(Cl)cc2)c2cccs2)C1 38153734 BWHLJWJFATWFTH-MAUKXSAKSA-N 379.909 4.304 0 1 GIAF Cc1cccc(C(=O)NC[C@]2(C(F)(F)F)OC(=O)Nc3ccc(Cl)cc32)c1 45255468 LHUFNHXNZDUMLT-KRWDZBQOSA-N 398.768 4.398 0 1 GIAF O=C(O)c1cccc(C(=O)Nc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)c1 164848517 YHUUCSWSRHJJLG-UHFFFAOYSA-N 375.359 4.320 0 1 GIAF CC(=O)O[C@@H]1C=C(C)C[C@H](OC(=O)CC(C)C)[C@@H]2[C@]1(C)CC[C@@]2(O)C(C)C 238777023 UUULDBUYLVXHTP-OMTGHCCBSA-N 380.525 4.029 0 1 GIAF O[C@@H](CCC[N+]1=CC[C@](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 299854027 TVNNNRFMXOLHBK-LEWJYISDSA-N 376.879 4.058 0 1 GIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@H]3CCOC3)[nH]c12 586911275 GIVCOIQNCJQUGF-NSHDSACASA-N 375.350 4.338 0 1 GIAF COC(=O)c1ccnc2[nH]c(-c3sc(-c4ccc(Cl)cc4)nc3C)nc12 587012052 MHLBEUXMHACRBV-UHFFFAOYSA-N 384.848 4.497 0 1 GIAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3ncc(Br)cc3[nH]2)s1 587023270 MDELFJIZORCRAH-UHFFFAOYSA-N 396.270 4.191 0 1 GIAF C=CN1CCCC[C@H]([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)C1=O 587393360 GYNHRQMHDWKYQL-YADARESESA-N 390.483 4.210 0 1 GIAF COc1cc2c3c(c1)OC1(CCN(c4ccc(C)c(Cl)c4)CC1)[C@@H](C2)C3=O 587421147 TYFVKRCCPYGPND-KRWDZBQOSA-N 383.875 4.444 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](Cc1ccccc1)C(=O)OCC)CC2=O 587481337 LDFAVODEWXJYQY-WIYYLYMNSA-N 382.456 4.101 0 1 GIAF COc1ccc2c(c1)[C@H](CC(=O)O)C[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587528054 YWMHEBFYYCDHHX-MYYSRTQBSA-N 392.451 4.397 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCN(c1ccc(F)cc1)C2 587567415 AHQWJBIUQPDPMZ-NFBKMPQASA-N 391.398 4.142 0 1 GIAF Cc1cc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C)n1 587586108 HHOXEJHXORFQDG-FPOVZHCZSA-N 375.424 4.367 0 1 GIAF CCCC[C@@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587597519 QTGCWOBSFRFSFX-KNQAVFIVSA-N 384.428 4.236 0 1 GIAF COC(=O)c1[nH]c2c(C(=O)O)cccc2c1C(=O)c1cc(Cl)ccc1Cl 587638708 ONETUCZDKZAQAG-UHFFFAOYSA-N 392.194 4.191 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCNc3c(F)cccc32)N1 587738715 QIQWJVFCQFGCKW-MGNBDDOMSA-N 379.248 4.321 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccn2)(C2CC2)N1 587774737 XFNIUIIWQZZVOI-BLVKFPJESA-N 375.285 4.365 0 1 GIAF CCOC(=O)CC1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587799930 VBTFJGSYHNYOBO-BYKITBGFSA-N 398.316 4.461 0 1 GIAF C[C@@H](O)Cc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587835103 UXVJBNURKMFENP-HNYWDRBLSA-N 378.285 4.135 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2COc3ccccc3C2)N1 587835158 NUPVKSICRJCKGX-CILWKZBWSA-N 376.269 4.415 0 1 GIAF Cc1cc2c(cc1[C@@H]1N[C@H](C)Cc3cc(Br)c(F)cc31)OCO2 587836857 XZHHMUGGWOFHRP-MGNBDDOMSA-N 378.241 4.249 0 1 GIAF COc1ccc2c(c1)CCC=C2Cc1nc2c(F)cnc(Br)c2[nH]1 587935346 SZXTZSCNHOWGTQ-UHFFFAOYSA-N 388.240 4.440 0 1 GIAF CCOC(=O)[C@@]1(c2cccc(Cl)c2Cl)NCCc2ccc(F)c(C)c21 962379950 VWXODTGRTXOUDW-IBGZPJMESA-N 382.262 4.393 0 1 GIAF COc1cc2c(cc1OC)-c1nc3ccccc3c(NCCCN(C)C)c1C2 1857564882 OECLPYHDJHBFOL-UHFFFAOYSA-N 377.488 4.187 0 1 GIAF COc1ccc([C@H]2CC(=O)c3c(O)cc(OC)c(CC=C(C)C)c3O2)cc1O 2356549761 JXAZZATUCPCXKO-LJQANCHMSA-N 384.428 4.330 0 1 GIAF COC(=O)[C@@H]1CCC=C(C)CC[C@H]2C[C@@H](OC2(C)C)[C@H](C(=O)OC)CCC1 2356576042 LLKYJPRIUKKHDS-FCGDIQPGSA-N 380.525 4.439 0 1 GIAF CC(=O)O[C@@H]1CC(C)=CCC[C@@H](C)CC(=O)CC2=C[C@@H](OC2=O)[C@H]1C(C)C 2356625585 QWGSYRKRZRCPAG-OOBDGNPPSA-N 376.493 4.158 0 1 GIAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]2[C@@]23C=CCC[C@@H]2[C@@]1(C(=O)CCC)OC3=O 2356780027 IRKACHWWOSXIEC-IKTFWLAPSA-N 396.483 4.181 0 1 GIAF O=c1[nH]c(=S)[nH]c2c1[C@H](c1ccc(F)cc1)O[C@H](CCc1ccccc1)C2 95571465 YDXIAANOZDDBCX-APWZRJJASA-N 382.460 4.235 0 3 GIAF CC(C)(C)c1noc(-c2ccc(Cl)cc2F)c1C(=O)N[C@@H]1CCCC[C@H]1O 775616 OITOAASEOFPTFR-HUUCEWRRSA-N 394.874 4.465 0 1 GIAF CCCCN(C)C(=O)c1sc2ncnc(N3CCc4ccccc4C3)c2c1C 2931624 GOOLEGQQPUNXBR-UHFFFAOYSA-N 394.544 4.435 0 1 GIAF O=C(c1cc(COc2cccc3cnccc23)on1)N1CCc2ccccc2C1 12025202 HFPQKQQHMWBGOD-UHFFFAOYSA-N 385.423 4.000 0 1 GIAF COc1cc2c(cc1OC)[C@@H](C(=O)c1ccc3c(c1O)C=CC(C)(C)O3)CCO2 13434211 SYOGFYMIPOYTIT-ZDUSSCGKSA-N 396.439 4.343 0 1 GIAF biogenic NC1=N[C@@H](c2ccc(Oc3ccccc3)cc2)N(c2ccc(Cl)cc2)C(N)=N1 13559308 SHTBKDRNGQHNDH-LJQANCHMSA-N 391.862 4.281 0 1 GIAF COc1ccc(CC(C)(C)NC[C@@H](O)COc2cccc(Cl)c2Cl)cc1 33965297 DWAKJSOEJNKPME-OAHLLOKOSA-N 398.330 4.353 0 1 GIAF Cc1ccccc1[C@@H]1CCc2c(C(=O)NC3CC3)cc3c(nc(C)n3C)c2O1 34602437 HKOCDPDGHOUFCU-FQEVSTJZSA-N 375.472 4.149 0 1 GIAF COc1ccc(C)cc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 35312991 BDANUBWUGZXPFB-HNNXBMFYSA-N 385.439 4.025 0 1 GIAF O=C(Nc1cnc2[nH]c(Cc3ccc[nH]3)cc2c1)c1ccccc1Br 68245480 DZJWVPHWQSPJDD-UHFFFAOYSA-N 395.260 4.497 0 1 GIAF CCN(C)c1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc(C)c2)n1 82146906 APIYDZAIMIDUDE-UHFFFAOYSA-N 392.478 4.020 0 1 GIAF Cc1ccccc1CNc1ncnc2c1nc(C(C)C)n2CCN1CCCCC1 82180439 NMXUVXPQZKMIKF-UHFFFAOYSA-N 392.551 4.356 0 1 GIAF O=C(CCCNc1nc(-c2ccc(O)cc2)cs1)NCCc1ccccc1F 82195731 GFHBRFAAGOBCEI-UHFFFAOYSA-N 399.491 4.206 0 1 GIAF Nc1nc(-c2ccccc2)c2c(n1)-c1cc(Cc3cncc(F)c3)ccc1C2=O 95556770 SGXSQJCDFWYGRN-UHFFFAOYSA-N 382.398 4.062 0 1 GIAF Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)O)OC3)c(C)o2)c(C)c1 101164763 MPBCEXSZGSLMSZ-VVOJOOEHSA-N 387.476 4.443 0 1 GIAF O=[N+]([O-])c1ccc(NCc2cccc(CNc3ccc([N+](=O)[O-])cc3)n2)cc1 147326333 CWCCJSLANPUWNF-UHFFFAOYSA-N 379.376 4.122 0 1 GIAF Oc1cccc([C@H](Cc2ccccc2O)N2CCN(C3CCCCC3)CC2)c1 169317917 WWRJZZHJMWHORN-QHCPKHFHSA-N 380.532 4.332 0 1 GIAF COCCn1c(=O)oc2cc3ncnc(Nc4ccc(C(C)(C)C)cc4)c3cc21 473120497 DIEMYACNRGOZHO-UHFFFAOYSA-N 392.459 4.225 0 1 GIAF COc1ccc2nc(CCc3c(C)c4ccc(OC)c(C)c4oc3=O)[nH]c2c1 586918846 QSTGKMIGRVNDEI-UHFFFAOYSA-N 378.428 4.089 0 1 GIAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)n1 587117333 GABUBFDLRSTUBL-UHFFFAOYSA-N 376.169 4.406 0 1 GIAF FC(F)(F)Oc1ccc2c(-c3nc4ncc(Br)cc4[nH]3)n[nH]c2c1 587127226 PTKLDZKSNUHVSZ-UHFFFAOYSA-N 398.142 4.162 0 1 GIAF OCc1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 587166608 XNBNNIUIXWGWJZ-UHFFFAOYSA-N 378.432 4.161 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(C)cc(Br)c1F)[C@@H](C2)C3=O 587424356 NPPZJHCIMBUQCS-KPZWWZAWSA-N 377.209 4.394 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCN([C@H](C)c4ccccc4)[C@H](C)C1)[C@@H](C2)C3=O 587436295 PQYJUWACYFCCEB-HEKCMURKSA-N 377.484 4.427 0 1 GIAF C[C@@H](Oc1cccnc1)[C@@]1(/C=C/N(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587514251 WEMHZCDUNLTRHZ-XDUDWOCLSA-N 392.499 4.207 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccnc1)c1ccccn1 587589332 UUGRGKVGUXCRLI-QPPBQGQZSA-N 396.402 4.088 0 1 GIAF COc1ccc2c(c1)NCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595079 MNPBWWMAFMXXTI-OFNKIYASSA-N 389.407 4.074 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3ccc(F)cc32)N1 587727778 DJGGFKIHBQOZAK-MGNBDDOMSA-N 380.232 4.288 0 1 GIAF CC(=O)Nc1ccccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587744306 ROUHUTIUNJEZNM-NSPYISDASA-N 391.284 4.344 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@]3(C)CC(=O)C[C@@]3(C)C2)N1 587817111 ILRJDURXANAOKY-QJJJLASOSA-N 380.301 4.487 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(CCCc3ccc(OC)c(OC)c3)nc2c1 587925731 HJHXRYDEJYJABF-UHFFFAOYSA-N 388.851 4.195 0 1 GIAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)cc(-c3ccco3)c2O)n1 587944663 HTCOHFYQWVPULK-UHFFFAOYSA-N 399.403 4.370 0 1 GIAF CCOc1cc(C=O)c(OCC)n1CC1CCN(Cc2ccc(F)cc2)CC1 587945595 GOJCFXHTMZCRLF-UHFFFAOYSA-N 388.483 4.149 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@H](c2ccc(-c3ccncc3)cc2)N1)C(F)(F)F 962715055 SWSPEUHSDHLMKI-UXHICEINSA-N 382.385 4.484 0 1 GIAF OC12CCC([C@H]3NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)(CC1)CC2 962962555 WDGSJOPDHURPMG-JSOIOWGOSA-N 395.465 4.483 0 1 GIAF O=C(Nc1ccc(NC(=O)N2Cc3ccncc3C2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 1772608089 HFJHDTYVLNWPGH-AUSJPIAWSA-N 376.460 4.004 0 1 GIAF Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCc3cccc(F)c3)c2)c1 1772620330 GYJRWJFMOASPQT-UHFFFAOYSA-N 390.418 4.481 0 1 GIAF O=C(O)c1ccccc1SCc1cn(Cc2ccc3ccccc3c2)nn1 1857539461 UHSNRHBHEQWPFB-UHFFFAOYSA-N 375.453 4.470 0 1 GIAF COc1ccc(CCNC(=O)c2cc(/C=C/C(=O)O)cc(CC=C(C)C)c2)cc1 1857597109 XJXJDTCRWFDELL-DHZHZOJOSA-N 393.483 4.274 0 1 GIAF COc1ccccc1-c1ccn2nc(NC(=O)c3cccc(Cl)c3)nc2c1 1857615267 XYSYVXIJOIBVGM-UHFFFAOYSA-N 378.819 4.311 0 1 GIAF CC(=O)OCC=C(CO)CC[C@@]1(C)[C@@H]2CCC=C(C)[C@@]2(C)CC[C@H]1C(=O)O 2356613447 MCVZTTJDKABTGZ-YVNJGZBMSA-N 378.509 4.112 0 1 GIAF CSc1ccccc1OCc1cc(C(=O)N[C@@H](C)Cc2cccc(C)n2)no1 12305437 GSSGAESZLMLBNR-HNNXBMFYSA-N 397.500 4.040 0 3 GIAF O=C(NCCc1ccccc1C(F)(F)F)c1cc(COc2ccccc2)on1 12430517 CKZXQODLQWQEHI-UHFFFAOYSA-N 390.361 4.245 0 3 GIAF O=C(c1ccc(C(F)(F)F)cc1)[C@H]1CCCN(C(=O)CCc2ccncc2)C1 12435453 QTKDBKKZIHAVJS-KRWDZBQOSA-N 390.405 4.155 0 3 GIAF COc1ccc(-c2cnc3c(NC=O)cc(-c4ccc(F)cc4)cn23)cc1OC 61903986 PWKJUXFVVCCAOU-UHFFFAOYSA-N 391.402 4.393 0 3 GIAF O[C@@](Cn1ccnc1)(c1ccc(-c2ccncc2)cc1)c1ccc(F)cc1F 599402 IAJFYMVLKYAWBA-QFIPXVFZSA-N 377.394 4.159 0 1 GIAF Cc1noc(NS(=O)(=O)c2ccsc2-c2ccccc2)c1Br 13815562 XBCZCJQNBKILNP-UHFFFAOYSA-N 399.291 4.275 0 1 GIAF CC1=NC(C)=C(C(=O)O)[C@@H](c2cccnc2)/C1=C(\O)OC/C=C/c1ccccc1 28568139 YYAKDYVWWSXAMA-VUOIWYDISA-N 390.439 4.498 0 1 GIAF CCCCc1ccc(CN(c2cccc(CCC(=O)O)c2)S(C)(=O)=O)cc1 43067499 FDWQOVZKUZZVBT-UHFFFAOYSA-N 389.517 4.013 0 1 GIAF CN(CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)CCCN 45498769 LTAYAFLYWNDJLO-IBGZPJMESA-N 394.437 4.413 0 1 GIAF O=C(O)c1cc2c([nH]c3ccccc32)c(C(=O)c2ccc(Br)cc2)n1 66077786 LBUUONNXSWCYSF-UHFFFAOYSA-N 395.212 4.408 0 1 GIAF O=C1NCCN1c1ccc(S(=O)(=O)Nc2ccc(C3CCCCC3)cc2)cc1 73140690 BKYUZTJYARKILZ-UHFFFAOYSA-N 399.516 4.065 0 1 GIAF C[C@@H](c1ccc(Cl)cc1)N(C)c1cc(N2CCC[C@H](C(C)(C)O)C2)ncn1 73198246 FBTDIZNMTYEIBL-RDJZCZTQSA-N 388.943 4.315 0 1 GIAF CCCCNC(=O)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(C)C 82082311 LGAKNQLTYAWMIL-MRXNPFEDSA-N 393.940 4.134 0 1 GIAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C3(C)CC3)nc2)n1 142136054 QDJQYHWUVOEJDI-GOEBONIOSA-N 381.480 4.077 0 1 GIAF Cc1ccc(OCc2cn(CCNc3ccnc4cc(Cl)ccc34)nn2)cc1 199101214 KFSRWMPWRQYIQP-UHFFFAOYSA-N 393.878 4.479 0 1 GIAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21CCSC(N)=N1 201219202 HRBGGHAOAFKAEC-UYJHFMRCSA-N 395.366 4.228 0 1 GIAF c1cncc(-c2ccc(CNc3nc(N4CCOCC4)nc4ccccc34)cc2)c1 201716347 LGDNUEUEPZVAJZ-UHFFFAOYSA-N 397.482 4.141 0 1 GIAF Cc1ccc([C@H]2C[C@H]2c2cc(-n3nc(C)nc3Cc3ccccc3)nc(C)n2)nc1 205280908 BAHAFDOBADABSR-VQTJNVASSA-N 396.498 4.239 0 1 GIAF N[C@H](Cc1cccc(Br)c1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586984996 XAUIPXMJSCEETK-SNVBAGLBSA-N 386.627 4.500 0 1 GIAF FC(F)(F)c1nc(Cl)[nH]c2nc(Cc3csc(-c4ccco4)n3)nc1-2 587018288 XZKQPFPODYBCFF-UHFFFAOYSA-N 385.758 4.284 0 1 GIAF Fc1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1Br 587178001 LBQHDVBTZJDUGV-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF COc1cccc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182509 HZMPZGQJKWKAQQ-UHFFFAOYSA-N 384.604 4.497 0 1 GIAF CC[C@]1(CC(=O)O)Cc2ccccc2[C@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587409008 SVIOVKGVXYMMTJ-PKTZIBPZSA-N 379.456 4.255 0 1 GIAF CC(=O)[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545576 HFFDUEAHLSZAJG-KNQAVFIVSA-N 394.810 4.492 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1c2ccc(F)c1F 587571585 QOIRDIZIYUILIM-XMSQKQJNSA-N 380.346 4.474 0 1 GIAF COc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587592716 JTCVRNYUPHRHCS-REWPJTCUSA-N 392.407 4.421 0 1 GIAF COCc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC 587592755 KEYPCUFFPMPBJG-NFBKMPQASA-N 392.407 4.250 0 1 GIAF CCOC(=O)C[C@]1([C@H](C)CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594780 IZHDXOAGAAEMEY-YFYZNPQRSA-N 384.428 4.092 0 1 GIAF COc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1OC 587804874 CSNCSEORTNDPCT-DYZYQPBXSA-N 380.257 4.229 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccccc3c2=O)N1 587839211 DTRJMGKNOSRRJL-YPMLDQLKSA-N 388.236 4.318 0 1 GIAF Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874264 RXQDCKGHSGLUGZ-SECBINFHSA-N 394.328 4.295 0 1 GIAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(OCCN(C)C)cc2[nH]1 587935969 XTGIMPPUQSGKRG-UHFFFAOYSA-N 377.488 4.084 0 1 GIAF Cc1cc2c(cc1F)[C@H](c1ccc(S(=O)(=O)CC3CCCC3)cc1)NCC2 962090197 HARDBASWHVEASF-QFIPXVFZSA-N 387.520 4.333 0 1 GIAF Cc1ccc2c(c1)C(=O)[C@@H]([C@@H]1c3ccsc3CCN1Cc1ccco1)C(=O)O2 962699740 AMAVBPVMLUWERD-UXHICEINSA-N 393.464 4.167 0 1 GIAF Cc1cccc(Nc2nc(N[C@H]3CCCC[C@@H]3N)c(Cl)c3cnnc(O)c23)c1 1857549763 YIFKWRHDBDXBPE-GJZGRUSLSA-N 398.898 4.118 0 1 GIAF Cc1ccc(OCc2cc3nc(C(N)=O)cc(-c4ccc(F)cc4)c3s2)cn1 1857593793 RNTZMCSYNSGBJW-UHFFFAOYSA-N 393.443 4.484 0 1 GIAF O=C1Nc2c(C(=O)O)cccc2C1=C(c1ccccc1)c1nc2ccccc2[nH]1 1857624498 FEIFRPGVCLWCHZ-UHFFFAOYSA-N 381.391 4.172 0 1 GIAF CC=C[C@@H]1C[C@@H]1[C@@H]1OC2=C(Br)C[C@@H](C=C=CBr)O[C@@H]21 2356760381 GABIRMUVGHAVPG-AAVHZZHKSA-N 388.099 4.425 0 1 GIAF C[C@@H](C[C@@H](O)C(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356847099 OTRAYPQDIGAWSD-ONKRKHDVSA-N 392.580 4.478 0 1 GIAF Cc1ccc(OCCN2CC[C@]2(C)C(=O)NCc2cccc3ccccc23)cc1 61908576 KTPZQKDIKXNMJF-RUZDIDTESA-N 388.511 4.308 0 3 GIAF N[C@@H]1CN(c2cc(-c3ccsc3)ncn2)C[C@@H]1c1cc(F)c(F)cc1Cl 28899675 QWUWSZCVPDEKJJ-MLGOLLRUSA-N 392.862 4.068 0 1 GIAF CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2F)[C@H]1C1CCCCC1 34230367 ARZUMHIABDHPTN-INIZCTEOSA-N 396.256 4.285 0 1 GIAF O=C(C1=C[C@H](C2CCCCC2)C[C@H](OCc2ccc(CO)cc2)O1)N1CCCC1 95798310 MQYDNZHKHACSIK-JTHBVZDNSA-N 399.531 4.145 0 1 GIAF O=C(NCc1ccc(F)c(F)c1)[C@H]1[C@H]2CN(Cc3ccc4ccccc4c3)C[C@H]21 101064719 XJNIBVBXBFVOSB-JHDGKUDLSA-N 392.449 4.112 0 1 GIAF CCOP(=O)(OCC)[C@@H](Nc1ccccc1O)c1ccc2c(c1)OCO2 103246204 APYSGRJHPGNLHI-GOSISDBHSA-N 379.349 4.498 0 1 GIAF O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1ccccc1Cl 147496555 RFQWWELYCULRCV-UHFFFAOYSA-N 382.268 4.218 0 1 GIAF Cc1nnc(C2CCN(Cc3ccc(OCCCN4CCCCC4)cc3)CC2)o1 169337574 ZUBVQPGSFOUVQK-UHFFFAOYSA-N 398.551 4.012 0 1 GIAF C=C/C(C)=C\C[C@]1(C(=O)O)[C@H]2CC[C@H]3O[C@@]3(C)[C@]2(C)[C@@H](OC(C)=O)C[C@H]1C 238751812 DHCIRWVQBPTPMQ-YRESCHFPSA-N 376.493 4.125 0 1 GIAF CCCCC(C)(C)[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 253685842 MZFSUBMVKUYQSC-FLJWZHBVSA-N 392.536 4.102 0 1 GIAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@H](Oc2ccc(CO)cc2)CC1 299840951 WZEWIADRMYQUAY-KYCKNJJWSA-N 398.547 4.137 0 1 GIAF CC(C)COc1cc2nc([C@H]3CC(=O)OC3(C)C)[nH]c2cc1Br 586907756 WOWORMFSBOXCDA-SNVBAGLBSA-N 381.270 4.169 0 1 GIAF O=C1CCc2cc3nc(-c4cc(O)cc(-c5ccc6c(c5)OCO6)c4)[nH]c3cc2N1 586914480 RBUNCOCFZCNDLS-UHFFFAOYSA-N 399.406 4.216 0 1 GIAF CCOC(=O)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587004528 VZLBHOCTDTWSNM-UHFFFAOYSA-N 385.221 4.045 0 1 GIAF COC(=O)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1OC 587074687 CLDSTTIUYRRQQZ-KRWDZBQOSA-N 399.878 4.349 0 1 GIAF Fc1cc(Br)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2c1 587090980 DDXAUMNMXWALCC-UHFFFAOYSA-N 390.134 4.468 0 1 GIAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3nc(Cl)c[nH]c-3n2)c1 587147783 ZWKHJXDSTRLDGB-UHFFFAOYSA-N 398.781 4.138 0 1 GIAF COc1ccc(NC(C)(C)c2nc3c(C)c(Br)cnc3[nH]2)cc1 587201170 ISDFOIDPJCYEBA-UHFFFAOYSA-N 375.270 4.385 0 1 GIAF COc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1N 587336706 OFNPKULKXFIKJG-GMAHTHKFSA-N 393.414 4.396 0 1 GIAF CCc1nccn1C[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344141 WAHPIMNGIHIYON-IFMALSPDSA-N 380.419 4.108 0 1 GIAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc4ccccc4c1)[C@@H](C2)C3=O 587446866 HFFYUUPXVQVLLD-YADARESESA-N 388.419 4.356 0 1 GIAF COc1cc2c3c(c1)O[C@@](CCCCC(=O)O)(c1ccc(C)cc1)[C@@H](C2)C3=O 587447300 PMFFWLYSTXZRSR-MBSDFSHPSA-N 380.440 4.292 0 1 GIAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(OC)cc1)CC2=O 587468844 KKMBCBZHJOGQRL-ZVQQDINOSA-N 381.472 4.289 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2n[nH]c(Cl)c2c1 587552267 PGTUROVIBURWMR-QAPCUYQASA-N 393.786 4.020 0 1 GIAF Cc1cc(C(=O)O)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587610726 RIEOKHNYKLPCDJ-NQIIRXRSSA-N 376.364 4.102 0 1 GIAF CCn1nc(C)c(Cl)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587700709 WCSANFMKTACMHT-GLEZIHRCSA-N 386.696 4.390 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C(=O)O)c(F)c2)N1 587725088 NGSWUMRCNFVAQN-BCTVWOGZSA-N 382.204 4.049 0 1 GIAF CCOC(=O)CC[C@@]1(c2cc(F)c(F)cc2Cl)NCCc2c(C)ccnc21 963066291 GHLYZFOJAZSEBT-FQEVSTJZSA-N 394.849 4.054 0 1 GIAF CCOC(=O)Nc1cc2c(cn1)OCc1cc(OC[C@@](C)(N)CC(C)C)ccc1-2 1857603197 MWHCLYMKQNOMIN-QFIPXVFZSA-N 399.491 4.352 0 1 GIAF O[C@H](CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(F)c2ccccc12 1857632648 LGUBCUVWGHAMJK-HSZRJFAPSA-N 382.454 4.364 0 1 GIAF Cc1ccc2nc(C[C@H]3CN(Cc4cccc(F)c4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356305839 MBJFXMFFESAWGJ-MSOLQXFVSA-N 395.478 4.166 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356664983 PXHCARRJGFGPAC-SEDCXYBLSA-N 390.564 4.398 0 1 GIAF CC=C(C)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)[C@H](C(C)C)C[C@H]2[C@@]1(C)OC(C)=O 2356679224 LFIIODXYFFPSFW-JTYVBTRNSA-N 378.509 4.238 0 1 GIAF CC(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](OC(=O)C(C)C)c3c(C)coc3C(=O)[C@@H]12 2356745081 BSVVKCYFWUIZLC-JXQPFKSJSA-N 376.449 4.009 0 1 GIAF O=C(NCC1CC1)c1ccc(Nc2nc3cc(Br)ccc3[nH]2)cc1 15974459 DAKQEOWIWKAJMO-UHFFFAOYSA-N 385.265 4.209 0 3 GIAF COc1ccc(S(=O)(=O)N2CCCc3nc(-c4ccc(F)cc4)ccc32)cc1 95599116 AMZUANAPQJUJQZ-UHFFFAOYSA-N 398.459 4.038 0 3 GIAF COc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@H](C)C(=O)N(C)Cc1ccccc1)CC2 15709105 FHRKBQPOQZAXGE-ITSWEJNFSA-N 381.516 4.203 0 1 GIAF biogenic CC(C)c1ccc(NC(=O)N2CCN(c3nncc4ccccc34)CC2)cc1 28395929 PNAWTZIFFHPFJI-UHFFFAOYSA-N 375.476 4.107 0 1 GIAF COC(=O)[C@@H]1CC[C@@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)OC1=O 40917604 LTDZSQRPECWURW-DUASXDFOSA-N 398.499 4.113 0 1 GIAF CC1(C)C[C@@H](NC(=S)Nc2cccnc2)c2cc(Br)ccc2O1 45350379 JTMFMMIPFUCZGO-CQSZACIVSA-N 392.322 4.433 0 1 GIAF c1ccc(-c2nc([C@H](NCc3ccco3)C3CC3)oc2N2CCOCC2)cc1 72103742 JHFWXEUOVUSSDJ-LJQANCHMSA-N 379.460 4.012 0 1 GIAF CCCCC(=O)N(Cc1ccc(OC)cc1)c1cc(Cl)cc(-c2nnn[nH]2)c1 84654555 JANNAONJIXKRKO-UHFFFAOYSA-N 399.882 4.252 0 1 GIAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cc(F)cc(C(F)(F)F)c1)O3 96269837 XAQXWFCNNIEQMY-QGHHPUGFSA-N 398.308 4.308 0 1 GIAF COc1cc([C@@H]2Sc3ccccc3N=C3COC(O)=C32)cc(OC)c1OC 100634323 KPRMUMMTTWEGJX-IBGZPJMESA-N 385.441 4.432 0 1 GIAF Cc1cccc(C)c1NC(=O)c1cccc(N2C(=O)[C@H]3CC[C@H](C)C[C@H]3C2=O)c1 101897456 PGQVHESPZVLJSN-PNHOKKKMSA-N 390.483 4.481 0 1 GIAF Fc1cncc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c(F)n2)c1 117425930 UFYPFASIUYPWBC-UHFFFAOYSA-N 385.805 4.487 0 1 GIAF CC1(C)CC(=O)[C@@H]2[C@@H](c3ccc(F)c(Br)c3)n3nccc3N[C@@H]2C1 169305717 IWJQDBFMIKCNGT-KBRIMQKVSA-N 392.272 4.174 0 1 GIAF CCOP(=O)(OCC)c1ccc(Nc2cc(-c3cccc(N)c3)ncn2)cc1 169346830 AGLDGUHPJIPKAN-UHFFFAOYSA-N 398.403 4.361 0 1 GIAF COC(=O)Nc1ccc(C)c(NC(=O)Nc2ccc(C)c(NC(=O)OC)c2)c1 238772396 JFBGEBPHDXUESP-UHFFFAOYSA-N 386.408 4.304 0 1 GIAF CCOC(=O)c1csc2nc(-c3cccc(NC(=O)c4ccco4)c3)cn12 473115506 TYPAWYHHKICCAX-UHFFFAOYSA-N 381.413 4.085 0 1 GIAF Clc1cnc(Br)c(-c2nc3ccc(Br)cc3[nH]2)n1 587005175 ANJSKDIECMJXLU-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF CN(C)CCOc1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021732 OIMPTWHLISDUDA-UHFFFAOYSA-N 378.501 4.218 0 1 GIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(C)cnc(Cl)c2[nH]1 587112483 KPJKRZQREWLHBQ-KRWDZBQOSA-N 396.800 4.338 0 1 GIAF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccccc2[nH]1 587141697 UQHWXPULZUPIFS-QGZVFWFLSA-N 395.887 4.421 0 1 GIAF CN(C)c1ncccc1-c1nc2c(C(F)(F)F)cc(Br)cc2[nH]1 587195128 BRVZXWHMHSDNSY-UHFFFAOYSA-N 385.187 4.472 0 1 GIAF C[C@@]1(c2cn3c(n2)CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340382 SMUMUYMDMDQXDW-GMAHTHKFSA-N 392.430 4.338 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(Cl)c1C(OC)OC)CC2=O 587462408 QDHJMLGJGXJDDK-INIZCTEOSA-N 391.851 4.391 0 1 GIAF COc1ccc(Cl)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587547167 KYZFMDBZCAHXDV-OXJNMPFZSA-N 383.787 4.152 0 1 GIAF COc1cc(F)cc(F)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554694 DVOUBDAQJCEBPQ-GHTZIAJQSA-N 384.334 4.382 0 1 GIAF C[C@@]1(c2cnn(-c3ccccc3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582361 OTYVUNBMSYWYIX-URXFXBBRSA-N 398.418 4.455 0 1 GIAF COc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587701304 XAHXOOFIUGBMSX-ANRSDYALSA-N 385.664 4.269 0 1 GIAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(F)c1F 587718029 MHNYVJIFGAPCJU-CQLKUDPESA-N 386.211 4.499 0 1 GIAF COC(=O)c1cc(F)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587736174 ZDWLTUBWRHCLJK-VVVCHXIZSA-N 396.231 4.138 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3nc(F)ccc23)N1 587737917 IFLJNBZDEMVFSS-ZKANADHPSA-N 378.220 4.227 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C(C)(C)C)nc2)N1 587772160 DSZFMJZOCIMSAU-QLJPJBMISA-N 378.289 4.299 0 1 GIAF Cc1cc2c(cc1[C@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)OCO2 587836859 XZHHMUGGWOFHRP-XTZNXHDOSA-N 378.241 4.249 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(C(=O)O)cs2)N1 587846505 HYRIAEIICANNCK-VPTHRUTESA-N 384.270 4.146 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cnnc(O)c1Cl 587865280 SBXGOCUYWWQFOE-UHFFFAOYSA-N 384.745 4.106 0 1 GIAF COc1cccc2cc3c(nc12)[C@@]1(CCCCC[C@H]1C(=O)C(F)(F)F)NCC3 963049232 BHWARQGDVPJRGZ-YWZLYKJASA-N 392.421 4.296 0 1 GIAF C[C@@]1(c2nc(Br)ccc2F)c2c(F)cccc2C[C@H]2CCCN21 963111921 WINOHSNDHHCUMD-XIKOKIGWSA-N 379.248 4.406 0 1 GIAF Cc1c(C(=O)O)[nH]c2c1[C@]1(CC(C)(C)C2)c2ccc(F)cc2C[C@@H]2CCCN21 963115301 VOKYNYXFFGESIN-HJPURHCSSA-N 382.479 4.397 0 1 GIAF Cc1cc(C)nc(SCC(=O)Nc2ccc(CNc3ccccc3)cc2)n1 1772597775 MCRHNEKBBSHNQI-UHFFFAOYSA-N 378.501 4.436 0 1 GIAF Cc1c(OCc2cccc(Br)c2)ccc2cc(C(=O)O)c(=O)oc12 1857559022 WXXGZMVQBMWZFD-UHFFFAOYSA-N 389.201 4.141 0 1 GIAF Cc1ccc2nc(CO[C@@H]3CN(Cc4cnc5ccccc5c4)C[C@@H]3F)[nH]c2c1 2356299304 FHIQSCTZIXOCMZ-PGRDOPGGSA-N 390.462 4.159 0 1 GIAF CC[C@H](C)C(=O)OCC=Cc1c(OC)cc(OC(=O)[C@H](C)CC)cc1OC 2356491743 OBZBPIALARPOKZ-LSDHHAIUSA-N 378.465 4.258 0 1 GIAF O=C(N[C@@H](Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccccc1 5573955 HBTZPLWKUHURCV-NRFANRHFSA-N 399.498 4.200 0 3 GIAF CN(C)CCOc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1 13684443 VYTQMUCONGRNBX-UHFFFAOYSA-N 385.471 4.141 0 1 GIAF CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)N(C(C)C)C(C)C 13747391 LQUMGIPHGAPMFW-UHFFFAOYSA-N 383.558 4.419 0 1 GIAF COC(=O)C[C@H]1c2ccccc2[C@H](Cc2ccc(OC)cc2)[C@@H](C)N1C(=O)OC 13817737 LPMQDEGGQDLASL-LPTQZCDUSA-N 397.471 4.096 0 1 GIAF C[C@H](C[C@H](O)C(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 27719337 OTRAYPQDIGAWSD-LLQZFEROSA-N 392.580 4.478 0 1 GIAF O=C(Nc1cccc2[nH]ncc12)N[C@H]1CCOc2c1cccc2C(F)(F)F 35907096 CRCCQJDITKRXDH-AWEZNQCLSA-N 376.338 4.227 0 1 GIAF CCOC(=O)[C@H](C)Sc1nc(Cl)cc(Nc2ccc3ncccc3c2)n1 40863202 PYPQKIVDLUCDNN-NSHDSACASA-N 388.880 4.466 0 1 GIAF Cc1nn(-c2cccc(Cl)n2)cc1CN1CCC2(CC1)OCc1ccccc12 40894491 CMMDBUCMEFMFHW-UHFFFAOYSA-N 394.906 4.251 0 1 GIAF N[C@H]1Cn2c(nc3cc(C(F)(F)F)ccc32)C[C@@H]1c1cc(F)c(F)cc1F 43023246 CPDHNZLJVFYMPT-YGRLFVJLSA-N 385.311 4.140 0 1 GIAF COc1cc(Cl)c2c(c1)CCN2c1nc(Cl)cn([C@H](C)C2CC2)c1=O 43059469 JFMZZWUFYQFKIM-SNVBAGLBSA-N 380.275 4.224 0 1 GIAF CC[C@H](NC(=O)C1CCCC1)[C@@H](O)C1CCN(c2ccc(Cl)cc2)CC1 43207871 SYHYSBBZLJOCBL-PMACEKPBSA-N 378.944 4.002 0 1 GIAF CCN(C)c1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2)n1 82132880 UHHLAXRWCUZRBB-BEKAIBRUSA-N 392.547 4.400 0 1 GIAF O=C(O)Cn1c(SCc2cccc(Br)c2)nc2ccccc21 84654807 NXXSQMKZILJIRG-UHFFFAOYSA-N 377.263 4.176 0 1 GIAF O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1[C@H]2CC[C@H]1CC(c1ccccc1)C2 101492562 NFSPGABTRZUJES-CXSMSNRLSA-N 394.534 4.172 0 1 GIAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(C(F)(F)F)cc1O[C@@H]1C[C@H]2CC[C@H]1C2 143200349 REFSPUPAKCCVAD-MQIPJXDCSA-N 392.377 4.213 0 1 GIAF O=C(Nc1cc[nH]c(=O)c1)c1cc(F)ccc1Oc1ccc(OCC2CC2)cc1 143247590 XBCPDKDJZGECMM-UHFFFAOYSA-N 394.402 4.347 0 1 GIAF COCCOc1ccc(-c2ccc(-c3csc(NC(=O)C4CC4)n3)cc2)cn1 145285504 BPBPGISDBXHFEU-UHFFFAOYSA-N 395.484 4.246 0 1 GIAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)N1CCCC1 169720793 MWOOFQXRXCRPCL-IAGOWNOFSA-N 377.275 4.124 0 1 GIAF C[C@H](CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)Oc1ccc(Cl)cc1 205637407 CILIRIYREOCHIN-MRXNPFEDSA-N 397.906 4.047 0 1 GIAF O=C(O)C[C@H](NC(=O)c1ccnc(Cl)c1)c1ccc(-c2ccccc2)cc1 261091024 DMKHHVTZDUXUQG-SFHVURJKSA-N 380.831 4.348 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(F)c(F)cc3[nH]2)cc1 587042578 MQMJTSWOKZLNOB-KRWDZBQOSA-N 389.427 4.128 0 1 GIAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Cl)ccnc2[nH]1 587111827 DTLHDMZVWLKBLP-MRXNPFEDSA-N 382.773 4.030 0 1 GIAF COc1cc2nc(/C=C\c3cccc(I)c3)[nH]c2cc1F 587183973 MSCNVVLZVRLGQL-WAYWQWQTSA-N 394.187 4.486 0 1 GIAF CC(C)Oc1cc2nc(-c3cccc(NC(N)=O)c3)[nH]c2cc1Br 587242182 OSICQEMCQMTSLW-UHFFFAOYSA-N 389.253 4.270 0 1 GIAF CCCOc1cccc(C(=O)c2c(CO)oc3cc(Br)cnc23)c1 587276323 MFIPPSGVRZMXFZ-UHFFFAOYSA-N 390.233 4.102 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(C(=O)O)c4)o1)[C@@H](C2)C3=O 587452069 CXXQOPBDYAUMQF-BTYIYWSLSA-N 376.364 4.142 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCC(=O)O)cc1)CC2=O 587486051 XZCPQUSUNJYNSJ-HXUWFJFHSA-N 384.428 4.295 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(C(=O)OC)cccc13)CC2=O 587487960 WTUOQHRHKTUMRB-IBGZPJMESA-N 379.412 4.319 0 1 GIAF CCOC(=O)[C@H](c1cccnc1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587516327 VZIBCEDRVFWTAW-REWPJTCUSA-N 379.456 4.031 0 1 GIAF O=C1c2ccccc2[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cnccc21 587516805 ZWLICDDKMRONAO-VWLOTQADSA-N 381.431 4.414 0 1 GIAF Cc1ccc(OC(F)F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587553569 FUPGXIZZFJXYCS-UZLBHIALSA-N 399.349 4.400 0 1 GIAF CCn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C(C)C)n1 587579264 CYWSOWMJKIAVBB-XMSQKQJNSA-N 378.428 4.435 0 1 GIAF O=C(NC1CCCCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657390 ZYRARJWEUBTUHZ-UHFFFAOYSA-N 383.398 4.232 0 1 GIAF CC(C)N(C)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587738525 AZYUXAFWKBGPMA-BLVKFPJESA-N 392.316 4.451 0 1 GIAF CCn1ncc([C@]2(CC)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587763734 LRUMOXOGZMRROY-VOJFVSQTSA-N 380.305 4.301 0 1 GIAF COc1ccc2c(c1)OC=C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587840078 IBRVOGDFYNJVTD-JEOXALJRSA-N 390.252 4.281 0 1 GIAF CCSc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1C 587848040 WCUHSENEKJLACO-BJOHPYRUSA-N 384.318 4.057 0 1 GIAF Cc1nc(N(C)C)sc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587855584 WVCKQMAKRINCHO-CLAHSXSESA-N 384.318 4.043 0 1 GIAF Cc1cc(S(=O)(=O)N2CC(F)(F)C[C@@H]2c2ccc(F)cc2)cc(C)c1F 653775506 CYQZMMUPORHDSC-MRXNPFEDSA-N 387.398 4.353 0 1 GIAF CCOC(=O)[C@@H]1CCc2ccoc2[C@@]12N[C@@H](CC)Cc1c2[nH]c2ccccc12 962958331 PSFRKQPBRFWCFT-FMKFIRIRSA-N 378.472 4.054 0 1 GIAF CC[C@@]1(c2ccncc2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963192021 XULZDDLCDFHCKE-WBVHZDCISA-N 384.785 4.006 0 1 GIAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1ccc(C(C)(C)C)nc1 963196522 XBICKRNSTXMFPD-QFIPXVFZSA-N 396.531 4.137 0 1 GIAF Cc1ccc(Oc2ccc([C@@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)cc2)cc1 963488781 FSIKDCFEHCSIHE-REWPJTCUSA-N 389.451 4.490 0 1 GIAF O=C(NCCc1c[nH]c2ccccc12)c1csc(Nc2ccc(F)cc2)n1 1772606257 WKEKNHWNUUZOTI-UHFFFAOYSA-N 380.448 4.480 0 1 GIAF COc1cc(-c2nn(Cc3ccc(C)cc3)c3ncccc23)cc(OC)c1OC 1911580542 PGTHQTHVMPNPOZ-UHFFFAOYSA-N 389.455 4.481 0 1 GIAF Cn1cc(CN2CCOC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)c2ccccc21 2356299742 NVHLEWBOHQNRLS-JOCHJYFZSA-N 390.462 4.281 0 1 GIAF COc1cccc(NC(=O)[C@]2(C)CCN2Cc2ccc(OC)c3ccccc23)c1 61898295 UCTWSOBXMNCCBS-DEOSSOPVSA-N 390.483 4.460 0 3 GIAF COc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2ccc(C)cc2)cc1 199726361 GUDVNEYIPGHFPS-UHFFFAOYSA-N 394.496 4.207 0 3 GIAF O=C(NC1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2cccs2)ccc1=O 25434753 RSYPGKMHBCSQFF-CVEARBPZSA-N 397.544 4.038 0 1 GIAF biogenic Cn1c(=O)c(-c2c(O)cccc2Cl)cc2cnc(Nc3ccccc3)nc21 28332224 STUQOPOHRUSKOD-UHFFFAOYSA-N 378.819 4.098 0 1 GIAF Cc1cc(Nc2nn(-c3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)[nH]n1 40408547 MODADWRACQIEMS-UHFFFAOYSA-N 385.349 4.180 0 1 GIAF C[C@]12CC[C@@H]3c4cc(Br)c(O)c(C=O)c4CC[C@H]3[C@@H]1CCC2=O 72127906 QXAZQEYPCWESLS-RHQBZFHZSA-N 377.278 4.392 0 1 GIAF CC(=O)c1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1 96928693 JMBBXZPEOYNQFN-UHFFFAOYSA-N 392.242 4.192 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CN=C4C=C(O)[C@H]5C[C@H]5[C@]4(C)[C@@H]3CC[C@]12C 100738362 LNBRDPIYZGBLLR-VJAJLJAMSA-N 384.564 4.466 0 1 GIAF COC(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C[C@@H]2CC[C@@H]1N2C/C=C/CF 101358271 FXIKVFNIIRHKBX-QLRGPRRLSA-N 396.300 4.084 0 1 GIAF CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNCCO4)no2)cc1Cl 140000092 KKVGKSMAHVWODP-UHFFFAOYSA-N 385.851 4.326 0 1 GIAF CCN1C(=O)c2ccccc2[S@](=O)c2ccc(C(=O)Nc3ccccc3)cc21 169309856 HPMKECMYBOYYGF-NDEPHWFRSA-N 390.464 4.086 0 1 GIAF O[C@@H](CCc1cccc(CNC2CCCC2)c1)CN1CCc2ccccc2C1 219777256 RIRAPLTXMZUEMQ-VWLOTQADSA-N 378.560 4.071 0 1 GIAF CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4C(=O)CCC[C@]4(C)[C@H]3[C@H](OC(C)=O)C[C@]2(C)C1 238733891 ZIHQYPUMMFHRCD-BLBAEXIBSA-N 390.520 4.072 0 1 GIAF O=C(O)c1ccccc1/C=C\c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586879779 NMRWKBRDHDMRHQ-WAYWQWQTSA-N 383.276 4.481 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc-2[nH]1 586884530 QSAGNHWGHCJPIL-FENNVDPPSA-N 375.476 4.090 0 1 GIAF Cc1ccc(C)c2[nH]c(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)nc12 586950520 GQNOAUMGDVKMOT-UHFFFAOYSA-N 398.532 4.112 0 1 GIAF Brc1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587006302 DIENYTYEXDNUDW-UHFFFAOYSA-N 392.054 4.403 0 1 GIAF COC(=O)c1cccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c12 587020532 UVLWZGLWHAFSIG-UHFFFAOYSA-N 379.441 4.360 0 1 GIAF CC(C)(C)OC(=O)N=c1[nH]nc(Cc2nc3ccc(C(C)(C)C)cc3[nH]2)s1 587023459 BKCNQRGJQGQJME-UHFFFAOYSA-N 387.509 4.072 0 1 GIAF CC(C)CCOc1cc2nc(-c3cncc(N)c3)[nH]c2cc1Br 587253720 HEZFVAHROXXCOK-UHFFFAOYSA-N 375.270 4.395 0 1 GIAF CC[C@@H](C(=O)O)n1cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587389407 IAMUOGBTNGOVQU-MBSDFSHPSA-N 392.455 4.448 0 1 GIAF CCOC(=O)[C@@H](CC)[C@]1(c2cccc(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587398734 HIEUFKOBUOEIBI-WZONZLPQSA-N 397.471 4.036 0 1 GIAF Cc1ccc(CN2C(=O)[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)c3ccccc32)cc1 587399611 KWJBUVRXGHDZSP-RUZDIDTESA-N 398.462 4.293 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)[C@@H](CC(=O)O)CCC[C@@H]1c1ccccc1 587408605 QNFSSAGCQRFQQZ-UQNRQAKVSA-N 379.456 4.340 0 1 GIAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1ccc4c(c1)CCCC4)[C@@H](C2)C3=O 587446701 DJYFGSBHIMQUIZ-YADARESESA-N 392.451 4.082 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC)(CC(=O)Oc1cccc(OC)c1)CC2=O 587475704 CCOBQZLETMBFRW-QHCPKHFHSA-N 398.455 4.463 0 1 GIAF Cc1nn(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Br 587502680 MLQRJZCTOKJYQR-OAHLLOKOSA-N 375.266 4.076 0 1 GIAF NC(=O)CCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515037 IKIWQQWBDUXMAJ-JOCHJYFZSA-N 388.467 4.102 0 1 GIAF COc1ccc2occ([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)c2c1 587534368 ZRCXYRNXJNMLQS-NRFANRHFSA-N 376.408 4.387 0 1 GIAF COc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c1O 587545168 OGJZOZQFPGFMGA-DYESRHJHSA-N 398.798 4.463 0 1 GIAF CN(C)c1nc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587553246 USCQVRYWKBGLRB-PXNSSMCTSA-N 396.830 4.210 0 1 GIAF COC(=O)Cc1ccccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587783239 JOIXFODKCLGQBM-UHFFFAOYSA-N 379.641 4.361 0 1 GIAF C[C@H](O)Cc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587835472 XEYWXWLRVHCQNI-ZKTNFTSUSA-N 378.285 4.135 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)O)cs2)N1 587846148 GTHDQLPSHDAKIE-ZKANADHPSA-N 384.270 4.146 0 1 GIAF CCc1ccc2c(c1)[C@]1(CC(=O)O2)NC2(CC2)Cc2ccc(Br)cc21 961614352 KVDOXLMFYKQQPX-OAQYLSRUSA-N 398.300 4.243 0 1 GIAF CCOC(=O)c1nn(-c2ccc(C)cc2)cc1[C@@H]1NCCc2c1sc(C)c2C 963034295 YMHCKEXFMKFIHG-IBGZPJMESA-N 395.528 4.271 0 1 GIAF Cc1ccnc2c1CCN[C@]2(C)c1cc(Cl)cc(I)c1 963071626 KGHXXDVFGFZULK-MRXNPFEDSA-N 398.675 4.057 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@H](c2cnc3ccccc3c2Cl)N1 963238470 ZDXZVCGDFPIYDJ-PZJWPPBQSA-N 389.842 4.125 0 1 GIAF Cc1ccc(S(=O)(=O)NC(=O)C(C)(C)Oc2ccc3ccccc3c2)c(C)c1 1857617794 OMFPIHPKVMEXKE-UHFFFAOYSA-N 397.496 4.119 0 1 GIAF CC[C@H](C)[C@H]1CN=C(N)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13662155 JPJRQHSTSXMSNH-IINYFYTJSA-N 381.364 4.312 0 3 GIAF CCN1c2ncc(CNc3ccccc3)cc2C(=O)N(C)c2ccc(Cl)nc21 5841417 FDYOAZVTGXEWGH-UHFFFAOYSA-N 393.878 4.490 0 1 GIAF COc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@@H]23)cc1OC 13471258 SNUBHAJWZFBQHA-STMGQDDNSA-N 375.515 4.106 0 1 GIAF CSc1sc(C(=N)N)cc1-c1nc(-c2ccc3c(c2)OCO3)cs1 28772049 ONJMNFUCIIFBMG-UHFFFAOYSA-N 375.500 4.273 0 1 GIAF COC(=O)C[C@@H](c1ccncc1)[C@@H](C(=O)N(C(C)C)C(C)C)c1ccccc1 34987624 YAAQJXJMSVDQFT-UNMCSNQZSA-N 382.504 4.158 0 1 GIAF Nn1c(S)nnc1-c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 40393441 BVMQJSHXRWTFHC-UHFFFAOYSA-N 392.875 4.298 0 1 GIAF COc1ccc([C@@H]2CC(Nc3nc4ccc(C)cc4s3)=NN2C(C)=O)cc1 45261015 VDVRJTLBZQIKIK-KRWDZBQOSA-N 380.473 4.332 0 1 GIAF O=C(c1cccs1)[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 71340375 MAWNHFCDCYPWDV-HXUWFJFHSA-N 383.856 4.019 0 1 GIAF COc1ccc(Oc2c(Cl)cnn(-c3ccc(OC(C)C)cc3)c2=O)cc1 95564141 ZCAJXYZDDRPIGH-UHFFFAOYSA-N 386.835 4.474 0 1 GIAF CCC1CCC2(CC1)SCC(=O)N2NC(=O)C12CC3CC(CC(C3)C1)C2 95564241 IJLLVOLOYOBXMU-UHFFFAOYSA-N 376.566 4.106 0 1 GIAF C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@H](O)C[C@H]1[C@@H](C)C[C@@H](C=C(C)C)OC(C)=O 95909194 HNCJOYGJZXFKBQ-QUGUPNKCSA-N 380.525 4.196 0 1 GIAF biogenic,in-vitro O=C(/C=C/c1ccccc1)Nc1cc(Sc2ncn[nH]2)c(O)c2ccccc12 96922645 VJVSLYYPWPCRMW-ZHACJKMWSA-N 388.452 4.467 0 1 GIAF CC(=O)O[C@@H]1O[C@H]2OC(=O)C[C@@H]1[C@@H]2[C@]1(C)CCC2=C(CCCC2(C)C)[C@H]1C 145353530 QFAJOILVRWFPQA-NQEAHLQASA-N 376.493 4.354 0 1 GIAF COC(=O)[C@H]1CCC[C@@H](C(=O)N2CC[C@]3(C)c4ccccc4C[C@@H]2C3(C)C)C1 218969725 HQVDNAGGANXTMU-DSPLJNTKSA-N 383.532 4.107 0 1 GIAF CC(=O)N[C@@H](Cc1nc2c(C)ccc(C)c2[nH]1)c1ccc(Br)cc1 586985005 KHPNKUJHZHKHDW-INIZCTEOSA-N 386.293 4.362 0 1 GIAF N=C(N)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 587001147 LLWZQCJRGMSVRP-UHFFFAOYSA-N 395.260 4.342 0 1 GIAF Brc1nccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587003531 LLJHLRHMHFHIDR-UHFFFAOYSA-N 393.042 4.026 0 1 GIAF FC(F)(F)c1ncc2nc(-c3cc4ccc(Br)cn4c3)nc-2[nH]1 587006891 URGIWIQSXAWMBQ-UHFFFAOYSA-N 382.143 4.006 0 1 GIAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc(Br)nc2[nH]1 587078714 AFFWTFXEJJDALA-LLVKDONJSA-N 390.672 4.098 0 1 GIAF Clc1nccnc1N1CCC(c2nc3ccc(Br)cc3[nH]2)CC1 587085564 ZZSQSRHFMJMRNC-UHFFFAOYSA-N 392.688 4.153 0 1 GIAF Cc1cc2nc([C@H]3CC(=O)N(Cc4ccc(F)cc4F)C3)[nH]c2cc1Cl 587150888 VBMXQGCAODACOO-LBPRGKRZSA-N 375.806 4.319 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3ccnc3)c(Br)c1)O2 587375498 DEIZNQINTOWPRG-GOSISDBHSA-N 398.260 4.232 0 1 GIAF COC(=O)c1cc([C@@]2(C3CCCCC3)CC(=O)c3cc(C)cc(N)c3O2)c[nH]1 587395680 FOGIPLRCEDTWCJ-QFIPXVFZSA-N 382.460 4.133 0 1 GIAF CCO[C@@H](C)c1ccc([C@]2(CN)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587510496 KXUMUDGZBONSPT-UPCLLVRISA-N 379.500 4.482 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccn1-c1ccccn1 587576307 ILUKAAPPRDIBSA-REWPJTCUSA-N 384.391 4.281 0 1 GIAF O=C(O)CCc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603743 OWFUDABNQQPABJ-NZQKXSOJSA-N 390.391 4.112 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C(F)(F)F)nc2)N1 587710146 BVNDBFMLBVBMNI-UHLUBPPHSA-N 390.178 4.021 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](c3nccn3C)C2)N1 587752416 DKOUYGBEFRXMOO-QHRIQVFBSA-N 392.316 4.409 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2-c2ccccn2)N1 587753443 IULNJZXQZISCPG-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)nn2C)N1 587763905 NHBNITQSWSRRLO-BTDLBPIBSA-N 380.305 4.243 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)OCCO3)N1 587833042 DZIUEFJUQFJSAX-NSPYISDASA-N 392.268 4.157 0 1 GIAF COc1ccc2cc([C@@H](C)c3nc4ccc(S(=O)(=O)O)cc4[nH]3)ccc2c1 587935952 XAYCFIRFALSVAP-GFCCVEGCSA-N 382.441 4.123 0 1 GIAF CC(=O)Oc1ccccc1[C@@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962694916 FLGRGNBVDIFEQV-OPAMFIHVSA-N 385.504 4.378 0 1 GIAF CN(C)Cc1ccc(-c2cnc(NCc3sccc3Cl)n3cnnc23)cc1 1772598476 JLMUQCDDWZVOBA-UHFFFAOYSA-N 398.923 4.180 0 1 GIAF COc1cc(-c2cnc3c(N4CCC(F)(F)CC4)snc3c2)ccc1N 1857745193 WVYMDERCRJEKET-UHFFFAOYSA-N 376.432 4.185 0 1 GIAF CO[C@]1(CO)C[C@@]23CC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@]4(C)[C@H]2CC[C@H]1C3 2356599794 MLWZOEODCMKKCC-OEVSOZFUSA-N 378.553 4.338 0 1 GIAF CC(C)C1CCN(C(=O)[C@@H]2CCC(=O)N(CCc3ccc(Cl)cc3)C2)CC1 12385988 NMTROKVMNIWMTD-LJQANCHMSA-N 390.955 4.016 0 3 GIAF O=C(N[C@H]1CCCC[C@@H]1O)c1c(-c2ccccc2F)noc1-c1ccsc1 774996 LXJAOERXBBLWAX-HOTGVXAUSA-N 386.448 4.243 0 1 GIAF C/C(=C\c1ccccc1)COC(=O)[C@H]1CCCCN1C(=O)C(=O)C1CCCCC1 26850387 XVJGJKGTUIHZCL-XXJLXKPQSA-N 397.515 4.164 0 1 GIAF C[S@](=O)c1ccc(/C=C2\C=C(CCN3CCOCC3)c3ccccc32)cc1 27213260 SVQVHQODJJBBMR-VEROMBOBSA-N 379.525 4.084 0 1 GIAF COc1ccc([C@@H](c2cc(O)ccc2O)c2ccc(C(C)C)cc(=O)c2O)cc1 28221695 WXTFQPFVHYCOOW-HSZRJFAPSA-N 392.451 4.476 0 1 GIAF c1ccc2c(CCN3CCC[C@H](c4ccnc(NCC5CC5)n4)C3)c[nH]c2c1 40403838 DRZMEJAAZMHAGA-IBGZPJMESA-N 375.520 4.202 0 1 GIAF in-vitro CC[C@@H]1C=CC(=O)O[C@@H]1[C@H](C)CC[C@@H](O)C[C@H](O)/C=C/C=C/c1ccccc1 40423629 IKMNWINZTIFDLH-OLDSPRNQSA-N 384.516 4.292 0 1 GIAF CCN(CC)CCCCCC(=O)NCCNc1ccnc2cc(Cl)ccc12 45348189 SEYYDVKWFNDMMI-UHFFFAOYSA-N 390.959 4.319 0 1 GIAF COc1cccc([C@H](N)c2ccc3sc(-c4ccnc(N)n4)c(C)c3c2)c1 49089731 LIRJSHARPOXCLR-IBGZPJMESA-N 376.485 4.306 0 1 GIAF c1ccc(-c2cccc(CN3CCN(c4cccc5c4OCCO5)CC3)c2)cc1 53151202 XVRGSHVTZMJIAN-UHFFFAOYSA-N 386.495 4.447 0 1 GIAF Cc1ccc([C@@H](NC(=O)c2ccccc2O)C(=O)Nc2c(C)cccc2C)s1 71341702 AHTURLVFIJHCLS-HXUWFJFHSA-N 394.496 4.489 0 1 GIAF in-vitro O=C(NCc1ccccc1)[C@@H]1CCCN1c1nc(-c2cccc(F)c2)cs1 82192405 SMKXTDVOHSRWPG-IBGZPJMESA-N 381.476 4.234 0 1 GIAF Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(S(C)(=O)=O)cc2)cc1 95564187 QBZVBEGQOWKIBV-NRFANRHFSA-N 392.480 4.170 0 1 GIAF Clc1ccc(C2=NO[C@@H](c3c[nH]c4ccccc34)[C@@H]2CN2CCOCC2)cc1 103287886 NGYHFXZUBUOSAF-KNQAVFIVSA-N 395.890 4.245 0 1 GIAF COC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)cn1 114713478 PSYYHRPJBIKTLW-UHFFFAOYSA-N 398.488 4.345 0 1 GIAF CC[C@@H]1C(=O)c2c(cc(OCC(=O)O)c(Cl)c2Cl)[C@@H]1c1cccnc1 169343412 GZNSIDWQTBBAKS-IINYFYTJSA-N 380.227 4.206 0 1 GIAF CN1[C@H]2CC[C@H]1[C@H]1COC(=O)CCCCCCCC(=O)Nc3ccc(cc3)[C@H]1C2 253679894 VSVUJKJXMNJRFE-LRSLUSHPSA-N 398.547 4.479 0 1 GIAF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(C)C[C@@](C)(O)c4ccccc4)[C@H]3C[C@H]12 299888177 ZZDYKMFBSRRGAE-RAEUIGNCSA-N 397.559 4.140 0 1 GIAF CCc1cc(O)nc(SCc2nc3cc(Br)cc(Cl)c3[nH]2)n1 586967361 YHXNHMVMMGODNY-UHFFFAOYSA-N 399.701 4.329 0 1 GIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](Cn1cncn1)CCCC3 586986431 BAYDYCRQUMYNPS-CQSZACIVSA-N 396.450 4.254 0 1 GIAF CCOC(=O)C[C@@H]1CCc2nc3ccc(O)c4c3c(c2C1)-c1ccccc1C4=O 586990472 YAXMUCNVHKNZAO-CYBMUJFWSA-N 387.435 4.210 0 1 GIAF CSc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587112727 CCFYJKMWLVBITN-UHFFFAOYSA-N 390.394 4.005 0 1 GIAF O=C(O)c1cc(Br)cc2nc(/C=C\c3ccc(F)cc3F)[nH]c12 587151426 ZLCMIKSFIXVRRH-RQOWECAXSA-N 379.160 4.472 0 1 GIAF O=C(CCc1nc2c(Br)cnc(Cl)c2[nH]1)Nc1cccc(F)c1 587163157 NPQUCBQOCFUNGS-UHFFFAOYSA-N 397.635 4.084 0 1 GIAF C[C@H](Oc1ccc(F)cc1)c1nc2cccc(I)c2[nH]1 587168022 CYRCZYSSJNUQMS-VIFPVBQESA-N 382.176 4.447 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@H]1CCO[C@H]1C21CCC1 587355170 CPGQLYZFDJXXBV-GBPFJNKXSA-N 380.415 4.218 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ncc[nH]1)(c1ccc(Cl)cc1F)O2 587384791 IWAUSAMULAUMNQ-HXUWFJFHSA-N 385.826 4.196 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(F)c1I)O2 587387378 QUXPFMBVKOITPI-AWEZNQCLSA-N 397.187 4.027 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2cc(C(F)(F)F)ccc21 587464921 ZEDGZTVBNOTRHD-IBGZPJMESA-N 391.345 4.176 0 1 GIAF COC(=O)c1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1N(C)C 587510328 GJQFFGOJKLEADH-NRFANRHFSA-N 379.456 4.125 0 1 GIAF CCOC(=O)COc1ccccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521021 HLLSNYJEPNQBJY-XMMPIXPASA-N 394.467 4.388 0 1 GIAF CCOC(=O)C[C@]1(c2ccccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587522647 GNHKFSYWAHQGRE-DEOSSOPVSA-N 394.467 4.388 0 1 GIAF C[C@H](Oc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587525232 UCNSEDOOEFSQRN-PSLXWICFSA-N 380.440 4.298 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1cc(F)c(F)cc12 587572088 RNYODFCAJGBEMM-KNQAVFIVSA-N 380.346 4.474 0 1 GIAF Cn1ccnc1[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587577670 OIVFOEUXZKYSKC-VVWXKSFDSA-N 390.439 4.184 0 1 GIAF O=C(COc1ccc(Cl)cc1Cl)n1ncc2ccc(Cl)cc2c1=O 587650774 DJHMEUHJAXRMNU-UHFFFAOYSA-N 383.618 4.076 0 1 GIAF COc1cc(F)cc(F)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587714519 AIWGMJYOZBKSBN-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(C=C1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587793384 DRWNYPJCLKAPMB-BBEGDGIKSA-N 396.300 4.237 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587798940 QFOMEXFHDCIZGY-SWDXJLKVSA-N 398.316 4.317 0 1 GIAF CC(=O)Oc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587806887 BKVGOOBUYLPOQY-WLRWDXFRSA-N 392.268 4.311 0 1 GIAF Cc1cc(C(=O)O)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587829837 YHPWJYDVLTXCGE-BTDLBPIBSA-N 378.241 4.218 0 1 GIAF Cc1cc2c(cc1[C@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCO2 587837079 ZFFIEGAQOSTHRK-XTZNXHDOSA-N 378.241 4.249 0 1 GIAF CN1CCC(NC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1 618010192 SAWHJGNQUXJJAM-UHFFFAOYSA-N 388.559 4.488 0 1 GIAF Cc1ccc([C@@]2(C3CC3)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)cc1 962667580 NMAJNRSBEDNMKQ-LOSJGSFVSA-N 386.495 4.295 0 1 GIAF C[C@@]1(c2cc(CN3CCOCC3)cs2)c2c(F)cccc2C[C@H]2CCCN21 963099712 IOUDAZPUYVREOP-XMSQKQJNSA-N 386.536 4.003 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CNC1CCCC1)c1ccc(F)cc1 963634100 JDAYCDFNBSECSD-VOIUYBSRSA-N 398.522 4.153 0 1 GIAF CN1CCc2c(sc3ncnc(Nc4ccc(Br)cc4)c23)C1 1857560340 SMXVSAWTFOASIN-UHFFFAOYSA-N 375.295 4.185 0 1 GIAF O=c1cc(Cc2cccc(-c3cc(Cl)cc(C(F)(F)F)c3)c2)nc(O)n1O 1857656404 RCHWRPINZNOPGI-UHFFFAOYSA-N 396.752 4.116 0 1 GIAF O=C(Nc1ccc2scnc2c1)N1CCN(c2cccc3[nH]ccc23)CC1 1857768189 MWJDTUAGVOVJBM-UHFFFAOYSA-N 377.473 4.132 0 1 GIAF CC(C)(C)n1nnnc1[C@H](c1ccccc1)N1CCc2c([nH]c3ccccc23)C1 1857774957 MRZMMFQIMXBNEF-NRFANRHFSA-N 386.503 4.057 0 1 GIAF C[C@@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccc(C(C)(C)C)cc1 12472580 HXEGYKRQQDMOPZ-SNVBAGLBSA-N 388.744 4.266 0 3 GIAF CCCCNC(=O)[C@H]1C(c2ccccc2OCC)=NO[C@@H]1c1ccccc1OC 4153243 AXAKMPSWSCCBBB-RBBKRZOGSA-N 396.487 4.102 0 1 GIAF CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)N(C)C 4204557 MPAFMGNVEJGQLU-IFMALSPDSA-N 380.488 4.389 0 1 GIAF O=C(c1ccc(F)cc1)C1CCN(CC[C@H]2Cc3cc(F)ccc3C2=O)CC1 13471626 OWXLOVODAGXFLI-KRWDZBQOSA-N 383.438 4.305 0 1 GIAF CC[C@@H]1NC(=O)[C@](CCN(C(C)C)C(C)C)(c2ccccc2)[C@@H]2CCCCN21 28756170 WDKQQRCLEKNRIX-WMTXJRDZSA-N 385.596 4.154 0 1 GIAF CCNC(=O)Nc1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C 45390372 QGYISVLNCIERMJ-PZJWPPBQSA-N 399.922 4.122 0 1 GIAF CN(C)c1ccc(-c2ccc(C(=O)N3CCN(C4CCCCC4)CC3)o2)cc1 45497768 VFUNFDUDCJVYIS-UHFFFAOYSA-N 381.520 4.103 0 1 GIAF CC(C)C[C@H]1CN(C(=O)/C=C/c2ccc(Cl)cc2)[C@@H](CC(C)C)C(=O)N1 103267089 UEZKNJUNOSHIRW-RJHNKFTKSA-N 376.928 4.141 0 1 GIAF O=C(Nc1ccc(CP(=O)(O)O)cc1)c1ccc(Oc2ccccc2)cc1 103300760 TXJIYTDLUAAEMB-UHFFFAOYSA-N 383.340 4.409 0 1 GIAF CCc1nn(Cc2ccc(NC(=O)C3CCCCC3)cc2)c(CC)c1CC(=O)O 168883091 DTOAGGHYRUZZSH-UHFFFAOYSA-N 397.519 4.202 0 1 GIAF COc1ccccc1Cc1c2c(nn1C)CCc1cnc(Nc3ccccc3)nc1-2 169702172 SHLHMCLLNOPACR-UHFFFAOYSA-N 397.482 4.319 0 1 GIAF O=C1C[C@@H](C2CCCCC2)NC(=O)[C@H]1C(=O)Nc1ccc(C2CCCCC2)cc1 169727300 DGRYMTJBTZFZBW-RBBKRZOGSA-N 396.531 4.327 0 1 GIAF CN1[C@H]2CC[C@H]1[C@@H]1COC(=O)CCCCCCC(=O)Nc3ccc(cc3)[C@H]1C2 253677954 QLPRIWAESOJKJS-BQJUDKOJSA-N 384.520 4.089 0 1 GIAF CN(CCN(C)c1ncccn1)C(=O)c1ccc(-c2cccc(Cl)c2)cc1 299832475 MEVHDHXAXLLTOJ-UHFFFAOYSA-N 380.879 4.005 0 1 GIAF C[C@H](Sc1nnc(-c2ccncc2)s1)C(=O)Nc1ccccc1Cl 473082468 IAYRACGQZBSSTF-JTQLQIEISA-N 376.894 4.373 0 1 GIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Cl)c(Cl)nc2[nH]1 586971914 BHJXLYZMJPYWPF-CQSZACIVSA-N 395.315 4.375 0 1 GIAF FC1(F)Oc2cc3nc(-c4ccnc(Br)c4Cl)[nH]c3cc2O1 587005178 AUABUVLYLSHGOW-UHFFFAOYSA-N 388.555 4.362 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccc(CO)cc3[nH]2)C[C@H]2CCCC[C@@H]21 587026734 MJOXMALBOJZJCQ-UXPWSPDFSA-N 395.528 4.192 0 1 GIAF Fc1cc2c(c(Cc3nc4cc(F)cc(Br)c4[nH]3)c1)OCOC2 587171628 QRBGSOUITWQPEV-UHFFFAOYSA-N 381.176 4.061 0 1 GIAF Cc1cnc(Cl)c2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc12 587222178 YSZUSPALHXEBKX-QGZVFWFLSA-N 376.847 4.439 0 1 GIAF C[C@]1(c2cnc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330743 OXHKNQBPUWTBQN-AZUAARDMSA-N 384.794 4.249 0 1 GIAF Cc1ccc(C)c([C@]2(CO)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587352100 JWDUDGIWJZOBKF-UPVQGACJSA-N 392.426 4.395 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)cccc1I)O2 587387775 WVOANQUYJPMFHW-HNNXBMFYSA-N 393.224 4.197 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1c(-c4ccccc4)nn(C)c1Cl)[C@@H](C2)C3=O 587420511 IJXLBAGMUUTFLR-OYHNWAKOSA-N 394.858 4.412 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC[C@@H]1NC(=O)OCc1ccccc1)CC2=O 587470037 KXEBIZCQILFCAR-REWPJTCUSA-N 395.455 4.138 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CN)(c1ccc([C@@H](C)OCC)cc1)CC2=O 587473213 REACHQUTSJPVCO-IQMFZBJNSA-N 383.488 4.262 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CC(=O)O)c3ccccc13)CC2=O 587475287 LIZBLUROOCHUPK-HXUWFJFHSA-N 379.412 4.091 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](Cc1csc(=N)[nH]1)(c1ccccc1)CC2=O 587492921 DDXXJXOBNQJENV-JOCHJYFZSA-N 394.496 4.317 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc2ccccn12 587552340 QKMMLOJMEODOTI-UZLBHIALSA-N 392.798 4.396 0 1 GIAF O=Cc1cccc([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587601163 FJHRYUHCUOJMGP-ZJSXRUAMSA-N 386.403 4.472 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccncc2)(c2ccccn2)N1 587772497 OCUCFZSVBBWZJJ-RBZFPXEDSA-N 398.279 4.204 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCCC3)s2)N1 587855727 VSIYFHFGJIDGEP-MGPLVRAMSA-N 396.329 4.269 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc(-c3ccc(OC4CCC4)cc3)nc-2[nH]1 587951791 RCVZNLZJQQMKDC-UHFFFAOYSA-N 387.443 4.221 0 1 GIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12CCc1ncccc12 961777849 OKKPNOAUVZIKEH-XMMPIXPASA-N 391.515 4.423 0 1 GIAF C=CN1CC[C@@H]([C@@]2(c3ccccc3)c3cc(OC)ccc3CCN2C(C)C)C1=O 962090472 LCRKRAZXPDDWSK-RDGATRHJSA-N 390.527 4.197 0 1 GIAF 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379.489 4.122 0 1 GIAF Cc1ccnc(NC(=S)N[C@H]2CCCN(c3cccc(C(F)(F)F)c3)C2)c1 95569870 VMHJIXGMMKXYTL-HNNXBMFYSA-N 394.466 4.364 0 1 GIAF CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(F)cc1 95595411 AULSCGFZXXUFHN-IBGZPJMESA-N 395.434 4.117 0 1 GIAF COC(=O)CC1=C(Cc2ccccc2)C[C@H]2[C@@H](Cc3ccccc3)C[C@H]1N2C 100800643 UPUHZXXATZMRQT-OEMFJLHTSA-N 375.512 4.424 0 1 GIAF CCO/C(O)=C1\C(C)=NC(S)=N[C@@H]1c1c(OC)ccc2ccc(OC)cc12 103935307 GGLYUDVABLDKJL-BDBAMQCISA-N 386.473 4.465 0 1 GIAF COc1ccc([C@@H]2[C@@H]3CCC[C@H](C3=O)[C@@H](c3ccc(OC)cc3)N2N=O)cc1 105481803 QWNRHWNQHLYNSX-UWHLTILDSA-N 380.444 4.469 0 1 GIAF Cc1cccc(-c2[nH]c(CNc3cccc(F)c3)nc2-c2ccc3ncnn3c2)n1 113383893 COZUKVUBSCQZGM-UHFFFAOYSA-N 399.433 4.241 0 1 GIAF Cn1nccc1C(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1 113429178 NWOPKJOQHVOYHU-UHFFFAOYSA-N 396.665 4.277 0 1 GIAF Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)c1cccc(F)c1 118853041 CFBQODKVKOEVIB-DYESRHJHSA-N 381.495 4.449 0 1 GIAF C[C@@H]1N[C@H](C)CC[C@@H]1Nc1ncc(C(N)=O)c2sc(-c3ccccc3)cc12 136894337 RBQJVPQXONDMAS-IGCXYCKISA-N 380.517 4.003 0 1 GIAF CCCN1C(=O)c2ccccc2[C@@]1(O[C@H]1C=C[C@@H](O)C1)c1ccc(Cl)cc1 141032153 UKOWWJNJFHTXLI-FGSXEWAUSA-N 383.875 4.113 0 1 GIAF Cc1ccc(C(C)(C)O)cc1-c1nnc2c(C)nc3ccc(C(C)C)nc3n12 145742372 HYQSKCQMJSCBKV-UHFFFAOYSA-N 375.476 4.307 0 1 GIAF O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccncc1 169302928 IBXQASRNSVVFOE-LUKWVAJMSA-N 380.447 4.325 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586888966 ZGKKVRQIXMDJGS-JLTOFOAXSA-N 397.272 4.484 0 1 GIAF FC(F)(F)Oc1cc(Br)cc2nc(C3CC4(COC4)C3)[nH]c12 586916099 KEDQZLMOBDDDAD-UHFFFAOYSA-N 377.160 4.118 0 1 GIAF CCS(=O)(=O)c1ccccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 586921565 CYBVIDYPQKUXLY-UHFFFAOYSA-N 399.697 4.439 0 1 GIAF COc1cc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2cn1 586959724 LPUTUQMZXBBFGV-HHHXNRCGSA-N 377.469 4.005 0 1 GIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(F)cc(F)c2[nH]1 586984376 KGINAJLUPFVHRX-HNNXBMFYSA-N 394.219 4.024 0 1 GIAF COC(=O)c1ccc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2c1OC 587012948 VRPYKDNPDKCJOL-UHFFFAOYSA-N 393.468 4.381 0 1 GIAF Cc1cc2nc(CN(C[C@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2cc1Cl 587195654 GPFSRVGTBGCGMS-CYBMUJFWSA-N 379.888 4.441 0 1 GIAF CCC[C@@H]1C(=O)N2CCCc3cccc(c32)[C@]12CC(=O)c1cc(C)cc(N)c1O2 587395570 RMTDJGHQYOCTPW-HOYKHHGWSA-N 390.483 4.147 0 1 GIAF CCN(CC)Cc1cc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587427796 GDXYZHFISVICKA-DVECYGJZSA-N 395.499 4.208 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCC(O)CC3)cc1)CC2=O 587475489 OQOIBNOAKJBUDR-QFIPXVFZSA-N 381.472 4.012 0 1 GIAF O=C1C[C@H](c2cc(I)c[nH]2)Oc2c1ccc1c2CCCC1 587507015 QAGSJHHSXYNOPA-MRXNPFEDSA-N 393.224 4.205 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccn(-c2ccccc2)n1 587583412 WASMRFOCFHPFOM-NFBKMPQASA-N 384.391 4.281 0 1 GIAF COc1ccc(OC)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587594564 OSEKOWZHOQNJGN-OFNKIYASSA-N 392.407 4.286 0 1 GIAF CCOCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611433 INWQZVQFDRBGEC-PXNSSMCTSA-N 383.425 4.088 0 1 GIAF CN(C)Cc1c(-c2cccc3ccccc23)[nH]c2ccc(S(C)(=O)=O)cc12 587650388 KOFJQWPQQGOXKN-UHFFFAOYSA-N 378.497 4.453 0 1 GIAF COc1c(F)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587721153 OYUHZCLEOZFDMR-PWJLMRLQSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(NC(=O)OC(C)(C)C)CC2)N1 587741684 HYSMDHXBIPSMOR-ZUZCIYMTSA-N 399.304 4.221 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](C)N(C)C)N1 587744435 ZXGCYGJIGKUYJC-ARGWCVDVSA-N 391.328 4.316 0 1 GIAF CCN[C@H](C)[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587753162 GLTGOABTNOHWPU-ARGWCVDVSA-N 391.328 4.364 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2N(C)C)N1 587757390 USCVTCLEIKZRCG-HXPMCKFVSA-N 377.301 4.452 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)OCO3)N1 587833393 GGMFTOOAKWKMNG-MLCYQJTMSA-N 378.241 4.115 0 1 GIAF COc1cccc(C2(c3nc4ccc(OCCN(C)C)cc4[nH]3)CCCC2)c1 587933111 KEXLHVKVAYGPKV-UHFFFAOYSA-N 379.504 4.372 0 1 GIAF CN1C(=O)C[C@H]2CN[C@@]3(CCCc4ccc(Br)cc43)c3cccc1c32 963030155 PVFJCYATFAINMN-QKKBWIMNSA-N 397.316 4.082 0 1 GIAF Nc1ccc2c(-c3nc4ccc(Br)c(O)c4s3)cc(=O)oc2c1 1857563657 TWIVFRKGLZSGSC-UHFFFAOYSA-N 389.230 4.120 0 1 GIAF Cc1cc(F)ccc1N=c1[nH]c2ccc(N)cc2[nH]c1=Nc1ccc(F)cc1C 1857593179 COXNAPXMGUFXOY-UHFFFAOYSA-N 391.425 4.438 0 1 GIAF CC(=O)OCC(=CC(=O)O)CC[C@@H]1[C@H](C(=O)O)C=C[C@@H]2C(C)(C)CCC[C@@]12C 2356381901 FPDJDCMZKOAFLL-IDVKNYFZSA-N 392.492 4.060 0 1 GIAF Cc1[nH]c(C(=O)O)c(/C=C/C(=O)Nc2ccccc2)c1OCc1ccccc1 13778831 DRGKRKWQFPMEJS-OUKQBFOZSA-N 376.412 4.252 0 1 GIAF Cc1ncc2cc(-c3c(Br)cccc3Br)c(N)nc2n1 27309226 FDEXATHLDRCEDZ-UHFFFAOYSA-N 394.070 4.107 0 1 GIAF C[C@@H]([C@@H](c1ccc2cc(OCC(C)(C)C(=O)O)ccc2c1)n1ccnc1)N(C)C 28123954 YLMRCYCGLCIPMC-KKSFZXQISA-N 395.503 4.065 0 1 GIAF CC1(C)CC[C@@H](N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21 28886254 ZIXQUQCWRLXDRC-JOCHJYFZSA-N 389.543 4.228 0 1 GIAF CCOC(=O)N1c2ccccc2N([C@@H](Cc2ccccc2)C(=O)OC)C[C@H]1CC 28886507 FLCQLSGXRGOKDJ-NQIIRXRSSA-N 396.487 4.032 0 1 GIAF O=c1sc2ccccc2n1CCCCCN1CCN(C2CCCCC2)CC1 29134413 YQBLPRIQIPGWFI-UHFFFAOYSA-N 387.593 4.184 0 1 GIAF O=C(O)CCCCCCc1cnccc1NS(=O)(=O)c1ccc(Cl)cc1 29388852 RJLJFXBLSUWHQF-UHFFFAOYSA-N 396.896 4.113 0 1 GIAF C[C@H]1CC[C@@H](C)N1Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O 49048562 UMJOOJXWGPXRLE-GASCZTMLSA-N 384.483 4.310 0 1 GIAF O=C(Nc1ccccc1)c1c(-c2ccccc2)n(O)c2ccc(Cl)cc2[n+]1=O 64510752 GRLOQWPTJJNYBB-UHFFFAOYSA-O 392.822 4.366 0 1 GIAF CCCCN(C=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 80300803 CHFVUVDSWHAXBF-HXMXLECZSA-N 388.596 4.477 0 1 GIAF CCc1nc(C(=O)N2CCC[C@H](C(=O)OCCC3CCCCC3)C2)cs1 82069670 YACVNKCJSDUKKN-INIZCTEOSA-N 378.538 4.071 0 1 GIAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)c1ccccc1F 96271312 PWLRRJAFPMHNQH-HKUYNNGSSA-N 381.495 4.449 0 1 GIAF Cn1nc(CC(F)(F)F)c(Cl)c1C(=O)NCc1ccc(C(C)(C)C)cc1 103276827 WZBWJXZNYCKHFJ-UHFFFAOYSA-N 387.833 4.406 0 1 GIAF Cc1nc(Cl)c(-c2cccc(C(=O)N3CC(c4ccc(C#N)cc4)C3)c2)[nH]1 142882207 MABOUHWOMSBNCP-UHFFFAOYSA-N 376.847 4.150 0 1 GIAF N=C(N)N1CCn2c(CCc3ccccc3)c(C(F)(F)F)c3cccc(c32)C1 146275320 DHHAWTNLOXKDNN-UHFFFAOYSA-N 386.421 4.154 0 1 GIAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(C(=O)O)o3)c2F)cn1 224547738 GONXLTRIUUVUQF-UHFFFAOYSA-N 383.379 4.003 0 1 GIAF c1ccc2c(C3CCN(Cc4ccc(CN5CCOCC5)cc4)CC3)c[nH]c2c1 473083674 PEOKUJZOSGCJNY-UHFFFAOYSA-N 389.543 4.380 0 1 GIAF O=C(NCCCN1CCC(Cc2ccccc2)CC1)c1cc2ccccc2[nH]1 473120618 OXADJUSYVLITBP-UHFFFAOYSA-N 375.516 4.243 0 1 GIAF COC(=O)c1ccnc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)[nH]c12 586881583 WLZWOOQZGYHBQR-UHFFFAOYSA-N 387.395 4.085 0 1 GIAF FC(F)(F)Oc1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586966336 BPFWWQAYCHHMGO-UHFFFAOYSA-N 393.350 4.199 0 1 GIAF FC(F)(F)c1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cn1 586994745 AIHLCRVPURCPGX-UHFFFAOYSA-N 385.187 4.394 0 1 GIAF Fc1c(Br)ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587040271 GTDZLTYIZLCPEN-UONOGXRCSA-N 392.297 4.411 0 1 GIAF Clc1ccc(CN2CCC[C@@H]2c2nc3nc(Br)c[nH]c-3n2)cc1 587073268 DYFBBFRKVPMIKR-GFCCVEGCSA-N 392.688 4.058 0 1 GIAF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587076064 IGLIABYLFVCYGE-UHFFFAOYSA-N 383.766 4.488 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(Cn3nc(C(F)(F)F)cc3C3CC3)nc2c1 587118865 QKYMMUJHWCEOLS-UHFFFAOYSA-N 398.772 4.144 0 1 GIAF CC(C)(C)OC(=O)NC1(c2nc3cc(Cl)c(F)cc3[nH]2)CCC(O)CC1 587237782 WZUQAWGBCPHYDP-UHFFFAOYSA-N 383.851 4.010 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)nn1[C@H]1CCCCO1)O2 587383637 UJNMGZMYYOKUFN-NVXWUHKLSA-N 395.381 4.198 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(OC)ccc1O)[C@@H](C2)C3=O 587443385 QBJTWRFARMTMPQ-CYFREDJKSA-N 388.419 4.101 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Br)sc1C)[C@@H](C2)C3=O 587452902 QCIFNIYILGOALC-SJCJKPOMSA-N 379.275 4.490 0 1 GIAF COC(=O)c1sccc1-c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 587453538 TWLTXOBXJZIYFT-YJYMSZOUSA-N 396.420 4.292 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1nc(Br)ccc1OC)CC2=O 587461792 ZEPZQHIJECQICK-OAHLLOKOSA-N 392.249 4.217 0 1 GIAF Cc1nn(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1Cl 587542910 AQOIOWAKJGTQDB-LAUBAEHRSA-N 398.846 4.279 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccc(Cl)cn12 587552917 TUIRDKOKOIUXBJ-GHTZIAJQSA-N 392.798 4.396 0 1 GIAF C[C@]1(c2cc(F)cnc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569005 JJLQYSYTOQVJIU-OXQOHEQNSA-N 385.778 4.457 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(=O)O)ccc2F)N1 587715438 HSYGHGYUTAEFAW-PWJLMRLQSA-N 382.204 4.049 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cc(F)c(O)cc32)N1 587731897 LZCLWHBAZVAJMC-NIVTXAMTSA-N 380.232 4.157 0 1 GIAF COc1ccc(C=O)c(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1OC 587787812 YEJXMGMLDAYYER-UHFFFAOYSA-N 386.407 4.291 0 1 GIAF CCOC(=O)C[C@@]1(CC2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795344 IMXGGUHSTZNIFV-BBATYDOGSA-N 384.289 4.071 0 1 GIAF CCCCCOC(=O)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798547 YROATJHRIQMLGA-SGTLLEGYSA-N 386.305 4.461 0 1 GIAF COC(=O)[C@H]1CC[C@H]([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587807012 KOLRXOCNWBQLKU-UWCDFFNFSA-N 384.289 4.143 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1csc(C)n1 587863767 HIDNCZARMJTXIO-UHFFFAOYSA-N 381.379 4.225 0 1 GIAF CCCCCCNC(=S)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587869627 OFSCPRWXHJFDAQ-UHFFFAOYSA-N 386.443 4.275 0 1 GIAF O=C(CC(CC(=O)c1ccccc1O)c1ccc(O)cc1O)c1ccccc1O 653753979 GPBQWCDLABDXSE-UHFFFAOYSA-N 392.407 4.139 0 1 GIAF CC(C)c1nn(C)c2c1[C@@](C)(c1ccc(Cl)cc1Br)NCC2 962916561 BXBMBHINOQGUAE-QGZVFWFLSA-N 382.733 4.369 0 1 GIAF Brc1ccc([C@H]2NCCc3nc4ccccn4c32)c2ccccc12 962992107 XEUBHTDQVSELEK-LJQANCHMSA-N 378.273 4.485 0 1 GIAF Oc1ccc2c(c1)[C@@](c1ccc(Cl)cc1)(c1ccc3c(c1)OCCO3)NCC2 963354670 XVJBRVALVJSMDC-HSZRJFAPSA-N 393.870 4.254 0 1 GIAF CCc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(CC)C(=O)N32)s1 1857770327 PYRZRKTWNHDCON-LPHOPBHVSA-N 379.485 4.090 0 1 GIAF Cc1cc2nc(-c3cccnc3SCC(=O)NCc3ccco3)[nH]c2cc1C 1329250 BFJFBFZUMCMFKG-UHFFFAOYSA-N 392.484 4.243 0 3 GIAF CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)NC[C@H](O)CC 4213411 COALRPBIMWYHQZ-CCKFTAQKSA-N 398.906 4.380 0 1 GIAF Cc1ccc(Cc2cc3c(cc2-c2ccc(S(C)(=O)=O)cc2)OCO3)cc1 13530438 NQJXCAQDFQQWRU-UHFFFAOYSA-N 380.465 4.385 0 1 GIAF O=C([C@@H]1C2CCC(CC2)N1C(=O)CCCCC(C1CC1)C1CC1)N1CCCC1 13756417 JENZANINBUNOTH-XPJNUEMQSA-N 386.580 4.375 0 1 GIAF CC(C)n1nc(C(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc21 13779606 BWNPJXJNWYUPES-UHFFFAOYSA-N 376.504 4.012 0 1 GIAF CCCCC(=O)O[C@@H]1Oc2c(O)cccc2-c2c1oc1cc(O)c(C)cc1c2=O 14814550 QGXIYXXRDGMFBG-JOCHJYFZSA-N 396.395 4.304 0 1 GIAF biogenic O=C(N[C@@H]1CCN(CCCCc2ccccc2)C1)C12CC3CC(CC(C3)C1)C2 26500228 NBMHNTBSWCLRKZ-XOTIMPRHSA-N 380.576 4.416 0 1 GIAF O=C(O)CCNC(=O)[C@@H](CC1CCCCC1)C[C@@H](CC1CCCCC1)C(=O)O 26508089 NJLBECLJORBIQZ-RBUKOAKNSA-N 395.540 4.225 0 1 GIAF COc1cc(N)c(Cl)cc1NC(=O)C1CCN(CC2CCCCC2)CC1 29466263 SPYNMANJXYAQRM-UHFFFAOYSA-N 379.932 4.162 0 1 GIAF COc1ccccc1NC(=O)C1=C(C)N=C2CCCC(=O)[C@@H]2[C@H]1c1ccc(C)o1 38197831 UFUBDAPTJFEFGH-YADHBBJMSA-N 392.455 4.417 0 1 GIAF CO[C@H](C)C(=O)N(c1ccccc1F)[C@@H]1CCN(CCc2ccccc2)C[C@H]1C 59560797 FRLCLTFQCIWDIX-WOIUINJBSA-N 398.522 4.147 0 1 GIAF CC(=O)N1N=C(c2ccc3c(c2)OCCO3)O[C@H]1c1ccc(Cl)cc1Cl 73198544 BRDNPFUFBRIAKB-SFHVURJKSA-N 393.226 4.004 0 1 GIAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(-c3ccc(C(C)=O)cc3)cc1)N2C 100801295 QOGDDOWLBRAWFT-CWBXHPNXSA-N 377.484 4.296 0 1 GIAF O[C@@H](CNc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)c1ccccc1 103261265 YSISJMHDRCZXGQ-KRWDZBQOSA-N 375.350 4.188 0 1 GIAF Cc1cccc(N2C[C@H]3CN(C(=O)c4ccccc4-c4ccccc4)C[C@@H]3C2)n1 116822963 FAMXEDYJEDJJMM-SFTDATJTSA-N 383.495 4.265 0 1 GIAF CCn1ncc2c(Cl)c(Cc3cncc4cc(OC)c(OC)cc34)cnc21 205652020 HOCYBZBWBKOFQY-UHFFFAOYSA-N 382.851 4.261 0 1 GIAF C[C@@]1(c2cccc(/C=C\C(=O)Nc3ccc(Cl)cn3)c2)CCSC(N)=N1 213406030 HEBGLNQNACCBPV-ZXYDQQDNSA-N 386.908 4.054 0 1 GIAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@H](C)Cc4ccccc4)ncc23)ccn1 219763755 HCSPTCTZFLZNMC-OAHLLOKOSA-N 386.459 4.081 0 1 GIAF CCN(CC)C(=O)C[C@@H]1C[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)C1=O 299870142 NUYXZZNRVPOMFS-GKFCREOCSA-N 383.532 4.302 0 1 GIAF in-vivo FC(F)(F)c1ncc2nc(-c3cc(Br)ccc3Cl)nc-2[nH]1 586980538 WLIRPTUEUQCOID-UHFFFAOYSA-N 377.551 4.406 0 1 GIAF COc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1OC 587120181 BIZMVWURFOBVFA-UHFFFAOYSA-N 380.248 4.008 0 1 GIAF COC(=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1OC 587133899 CZQATSRQTYNVLE-XQRVVYSFSA-N 398.287 4.224 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c(-c3cc(F)c(N)c(F)c3)nc2c1 587135249 WYIAMNUQGYJQHY-UHFFFAOYSA-N 396.191 4.030 0 1 GIAF COC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348931 ONQHVSIWEKGLTB-GGAORHGYSA-N 378.399 4.432 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4)cc1O)[C@@H](C2)C3=O 587442827 MEIGNOKSXHYKEV-CYFREDJKSA-N 388.419 4.469 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(I)o1)CC2=O 587467699 GKCOOODOIGVFAX-CQSZACIVSA-N 398.196 4.249 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C[C@@H](C)C(=O)O)(c1ccc(OC)cc1)CC2=O 587482998 SZDQXXMYYSXANF-FATZIPQQSA-N 398.455 4.325 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C(=O)O)cc1)(c1cc[nH]c1)CC2=O 587483701 NQWCPSHEQRYTIX-QHCPKHFHSA-N 391.423 4.280 0 1 GIAF COc1ccc(F)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587556798 KFZRYRKTUCAIQQ-DENIHFKCSA-N 380.371 4.417 0 1 GIAF CN(C)CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613711 PTKSUYKFTRGTLH-UGKGYDQZSA-N 395.480 4.263 0 1 GIAF CCOc1ccc(-c2nn(C(=O)CC3CC3)c(=O)c3ccccc23)cc1OCC 587672743 ZFJOBXQYLWKJIL-UHFFFAOYSA-N 392.455 4.301 0 1 GIAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(F)c1O 587722572 SSNLWIBALJASNW-BCTVWOGZSA-N 384.220 4.065 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3cccc(F)c32)N1 587738403 ODISUIPDEFYFDV-YPMLDQLKSA-N 380.232 4.288 0 1 GIAF CC(C)N(C)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587743142 VUHQWKTUYMSVMS-HXPMCKFVSA-N 392.316 4.451 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)nc2C(C)(C)C)N1 587765216 RVPDJGOWFFALIT-HWPZZCPQSA-N 380.305 4.243 0 1 GIAF CC(=O)Oc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587810129 JXTPNYAGMPTRHL-YPMLDQLKSA-N 378.241 4.137 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587836529 WDUDTRFAIAZVPT-WYRIXSBYSA-N 392.268 4.157 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccsc2C(=O)O)N1 587844368 NKSLFUBIFIZUFD-VPTHRUTESA-N 384.270 4.146 0 1 GIAF C[C@@H](N=c1[nH]c2ccccc2s1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587875826 KCBAJRHFQFCFQT-SNVBAGLBSA-N 380.404 3.967 0 1 GIAF CCOC(=O)Cc1ccc2nc([C@H](CC)c3ccc(OC)c(OC)c3)[nH]c2c1 587925549 COEUIRVBXNFBCO-MRXNPFEDSA-N 382.460 4.228 0 1 GIAF CC(C)c1ccc([C@]2(c3cccnc3)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1 962901884 ULQFOUGPRHZZKX-XUZZJYLKSA-N 390.458 4.235 0 1 GIAF CC(=O)Oc1ccccc1[C@]1(c2c(C)cccc2C)NCCc2ccc(O)cc21 963341641 OCBMNTVNBYFPQN-VWLOTQADSA-N 387.479 4.372 0 1 GIAF CC[C@H](NC(=O)c1cc(O)nc2cccnc12)c1ccc(OC(F)(F)F)cc1 1772628015 YLIWHCJGURTYBQ-AWEZNQCLSA-N 391.349 4.115 0 1 GIAF CCc1ccc2nc(N3CCC(NCC(C)C)CC3)c(-c3nc(C)no3)cc2c1 1857564189 JTFHVEYAVQAEGK-UHFFFAOYSA-N 393.535 4.370 0 1 GIAF N=c1ncc(-c2cc(Cl)c(Nc3ccccc3C(=O)O)c(Cl)c2)c[nH]1 1857582191 QNPBTEVBOLFMIU-UHFFFAOYSA-N 375.215 4.305 0 1 GIAF O=C1/C(=C/c2cccc(OCCCc3ccccc3)c2)N=C2SCCCN12 1857631561 PLSWADCBNSNPGS-SILNSSARSA-N 378.497 4.374 0 1 GIAF O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773341 NUZOAKRRZBPTBJ-QZTJIDSGSA-N 380.419 4.181 0 1 GIAF CC(C)(Oc1ccc(CC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)C(=O)O 13649347 MSGNBEIACAHWBM-UHFFFAOYSA-N 382.243 4.417 0 1 GIAF COC(=O)[C@H]1CCC[C@H](Nc2[nH]nc3cccc(OCc4ccccc4)c23)C1 26728035 OLWDKMYRCUIZFF-IRXDYDNUSA-N 379.460 4.286 0 1 GIAF Cc1cccc(NC(=O)NC2CCN(CCCC(=O)c3ccccc3)CC2)c1 27983393 RCRJFVCFBWKUDL-UHFFFAOYSA-N 379.504 4.244 0 1 GIAF O=C(O)CCCCCCN1C(=O)CC[C@@H]1CC[C@H](O)Cc1cccc(Cl)c1 28571124 NGRWIKNLASBEQP-OALUTQOASA-N 395.927 4.050 0 1 GIAF Cc1nc(C)c(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc1C 28713637 YBDOWGMMWZQXHM-UHFFFAOYSA-N 386.543 4.309 0 1 GIAF Clc1ccc([C@@H]2CNCc3cc(OCCCN4CCCCC4)ncc32)cc1 28882986 PSPXVYVVQAMREV-FQEVSTJZSA-N 385.939 4.225 0 1 GIAF COc1cccc(C(=O)NC2CCN(Cc3ccc4cc(F)ccc4c3)CC2)c1 29123195 RXMWAGHSIVJUIT-UHFFFAOYSA-N 392.474 4.382 0 1 GIAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(Cl)cc1C)c1ccco1 35259300 MHIAGUHFKHVXBP-MRXNPFEDSA-N 388.740 4.348 0 1 GIAF O=C(Nc1cccc(C(F)(F)F)c1)c1nscc1NCc1ccccn1 40917819 WELSOGBFWGDRTP-UHFFFAOYSA-N 378.379 4.421 0 1 GIAF Cn1cc(CN2CCC[C@H](COC(c3ccccc3)c3ccccc3)C2)cn1 45167758 FEDCAJUDSUWPAP-FQEVSTJZSA-N 375.516 4.438 0 1 GIAF CN(c1ccc(F)cc1)c1cc2cnnc(-c3ccc(F)cc3F)c2n(C)c1=O 64436280 AZOLAYLFIHNBPQ-UHFFFAOYSA-N 396.372 4.181 0 1 GIAF O=C(O)CSc1cccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 68588799 ZCJNLDPHYRBXLA-UHFFFAOYSA-N 377.270 4.003 0 1 GIAF biogenic CC(=O)N1N=C(c2ccc(Br)cc2)O[C@H]1c1ccc(Cl)cc1 72178830 PXQWXUUWUNHOMH-INIZCTEOSA-N 379.641 4.342 0 1 GIAF CCOc1cccc(-c2nc(CNC3CCN(Cc4ccccc4)CC3)co2)c1 72184893 DRWNKVNVFPPQAU-UHFFFAOYSA-N 391.515 4.495 0 1 GIAF COc1ccc(-c2c(-c3ccc(F)cc3)sc3c(=O)[nH]cnc23)cc1OC 84669441 ZWXSAHCDNQDWKN-UHFFFAOYSA-N 382.416 4.475 0 1 GIAF C[C@]1(c2cccc(CC(=O)c3ncc(Cl)cc3Cl)c2)CCSC(N)=N1 96174277 ZEIZUTKQITZQPV-GOSISDBHSA-N 394.327 4.481 0 1 GIAF O=C(Nc1c(F)cccc1F)[C@@H]1C(=O)N2c3ccccc3Cc3cccc1c32 100658606 XBCIWSCYISQLSH-GOSISDBHSA-N 376.362 4.270 0 1 GIAF Nc1nc(-c2ccc(C(F)F)o2)nc2sc(CN3CCC(F)CC3)cc12 118601624 QHQLXOQCSMIVGO-UHFFFAOYSA-N 382.411 4.405 0 1 GIAF Cc1ccc(-c2c3c(nc(C)c2[C@@H](OC(C)(C)C)C(=O)O)CCN(C)C3)cc1 146684207 JQYJRTYJAKYFPX-OAQYLSRUSA-N 382.504 4.294 0 1 GIAF CC(C)(C)NC(=O)c1cc(F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224796444 SVFKJGQIPBFYBF-UHFFFAOYSA-N 382.414 4.199 0 1 GIAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc3ncccc3c2[nH]1 586973891 RXIQOUVLTITMKX-LJQANCHMSA-N 376.485 4.222 0 1 GIAF COC(=O)c1ccnc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586988705 WTUQHSUZKHHAMT-UHFFFAOYSA-N 382.375 4.000 0 1 GIAF Clc1cnc(Br)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)n1 587005851 WIHZSTGGEFMKKU-UHFFFAOYSA-N 379.432 4.138 0 1 GIAF Cc1oc(-c2ccsc2)nc1Cc1nc2cncc(Br)c2[nH]1 587026782 IIJONZBDGMHXIA-UHFFFAOYSA-N 375.251 4.336 0 1 GIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(OC)nc2[nH]1 587034749 LADISPAYBDZQHO-CYBMUJFWSA-N 380.473 4.452 0 1 GIAF Cc1csc([C@@](O)(Cc2nc3ccc(OC(C)C)cc3[nH]2)C(F)(F)F)n1 587094042 IRGHPKPVWKBJCT-INIZCTEOSA-N 385.411 4.108 0 1 GIAF COc1ccc(-c2ccc(-c3nc4cccc(C(N)=O)c4[nH]3)c(F)c2)c(F)c1 587152474 OGRLQKHXYFFCIN-UHFFFAOYSA-N 379.366 4.283 0 1 GIAF CC[C@H](C)n1ncc(I)c1-c1nc2c(OC)cccc2[nH]1 587181654 YLLGWQZGBTZPDP-VIFPVBQESA-N 396.232 4.011 0 1 GIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3c(Cl)ccnc3[nH]2)c(O)c1 587240690 ONVAPXHXFMAYQA-UHFFFAOYSA-N 392.846 4.474 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(C(=O)Sc3ccccc32)[C@@H]1c1ccc(F)cc1 587371909 GWYKYEQDHVPJRB-KNQAVFIVSA-N 392.407 4.418 0 1 GIAF CCOc1cc(N2CCCC2)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444960 SVBJNZSLEVHMJS-JPYJTQIMSA-N 379.456 4.183 0 1 GIAF C=CN1CC[C@@H]([C@@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587474742 JHYUCTHUAPXDNV-DVECYGJZSA-N 391.467 4.197 0 1 GIAF CCOC(=O)C[C@]1(COc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587520500 DEGFLJPVVJJFNC-DEOSSOPVSA-N 394.467 4.302 0 1 GIAF COC(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587554603 LAYQUSRXYWABQL-WIYYLYMNSA-N 394.354 4.021 0 1 GIAF C[C@@]1(c2ccc(-n3cccn3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582765 QUSBSFHTLGAFTQ-URXFXBBRSA-N 398.418 4.455 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccnc1)c1ccccn1 587589337 UUGRGKVGUXCRLI-ZJSXRUAMSA-N 396.402 4.088 0 1 GIAF COc1cc(C)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(OC)c1 587594182 MZOVKYPLSJQKDK-OFNKIYASSA-N 392.407 4.421 0 1 GIAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602940 KBNYLSVQWQCDBM-YRMKTQSXSA-N 394.423 4.004 0 1 GIAF CCc1oc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)OC 587617464 PSZULJHKIFZURE-WIYYLYMNSA-N 394.379 4.037 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(Cc3ccccc3)C2)N1 587769781 QEYHEOGOIPFKGY-XOBRGWDASA-N 389.312 4.224 0 1 GIAF COc1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc(OC)c1O 587786461 QRHHSJPUKNRUQB-UHFFFAOYSA-N 383.629 4.369 0 1 GIAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(F)cnc(Br)c2[nH]1 587931064 QSOONWUOIOLNCK-BMLIUANNSA-N 376.229 4.313 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(C3CCC(OC[C@H](C)OC)CC3)nc2c1 587952223 NCUWEPCVYDYGDK-DCBWTQNWSA-N 380.872 4.081 0 1 GIAF CCCc1nn(CC(=O)N2c3ccccc3Sc3ccccc32)c(=N)s1 653808003 ATLLJWKKZWYNDY-UHFFFAOYSA-N 382.514 4.206 0 1 GIAF CC(=O)[C@H](Sc1ncccn1)[C@]1(C)NCCc2cccc(-c3ccccc3)c21 962670095 UQAYXOLJBQFXTN-JTHBVZDNSA-N 389.524 4.254 0 1 GIAF C[C@@]1(c2ccc(SC(F)(F)F)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962919758 LILKFBNFJXTAPG-RDJZCZTQSA-N 385.382 4.300 0 1 GIAF CC(C)(CCc1ccncc1)[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962979293 SEHQYZNBYHSQGC-CRAIPNDOSA-N 394.849 4.312 0 1 GIAF CCOC(=O)N[C@H](c1ccccc1)[C@@H]1CCCC[C@@]12NCCc1c(C)ccnc12 963078000 VVFDEGWTNSYWKX-YZUZCNPQSA-N 393.531 4.409 0 1 GIAF CCOC(=O)Nc1snc(C)c1[C@@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963115352 VYUSHHJNLBEEHJ-FOIQADDNSA-N 389.496 4.443 0 1 GIAF NC(=S)c1cccc(-c2cn(C[C@@H](CF)C(F)F)c3cc(N)ccc23)c1 1857613780 UYYPZDYWRPWDKQ-CYBMUJFWSA-N 377.435 4.376 0 1 GIAF Cc1cc(C)nc(NC(=S)NCCN(C)Cc2ccc(C(F)(F)F)cc2)c1 1857636842 MIVONABZAVDCTK-UHFFFAOYSA-N 396.482 4.136 0 1 GIAF Cc1ccc2nc(N3CCCc4ccc(F)cc4C3)cc(NC[C@@H](C)N)c2c1 1857747979 MTAYJESGAUBTAR-MRXNPFEDSA-N 378.495 4.394 0 1 GIAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC4=O)[C@@H](OC(C)=O)C[C@H]12 2356784075 NCSYZCFTTYSTDM-RVFQMDFPSA-N 390.520 4.073 0 1 GIAF CCC[C@H](OC(=O)c1ccc(O)cc1)[C@@H](CC)COC(=O)c1ccc(O)cc1 2356807710 YAUDIDRFMBKVPS-YWZLYKJASA-N 386.444 4.307 0 1 GIAF COc1ccc(NC(=O)c2cc(-c3cc(F)ccc3OC(C)C)[nH]n2)c(OC)c1 61903378 WLZKVWWIUWFXNB-UHFFFAOYSA-N 399.422 4.273 0 3 GIAF O=C(NCc1cccc(Cl)c1)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3C1 205710897 CQGPOMKFVKAVSK-DJPFJPOOSA-N 390.911 4.280 0 3 GIAF CCN(Cc1ccccc1)c1ccc2nc(O)c(Cc3ccc(F)cc3)nc2n1 2500160 BFYOPLZMYVSVCL-UHFFFAOYSA-N 388.446 4.487 0 1 GIAF COC(=O)c1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@H](C4)[C@H]32)cc1 5065053 VLCQZNCIDLUVOZ-VNEALKQTSA-N 377.440 4.468 0 1 GIAF Cc1cccc(Cl)c1Nc1nc2ccc(N3CCOCC3)cc2n2cncc12 13860322 IQXCIXCRPPWSRP-UHFFFAOYSA-N 393.878 4.425 0 1 GIAF Cc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)nn3c(C)c(C)cnc23)cc1 13861628 QQBVIMJWPVKZFA-UHFFFAOYSA-N 391.496 4.392 0 1 GIAF Cc1noc(NS(=O)(=O)c2cc(-c3ccccc3)cs2)c1Br 26578971 NXWRCHOPXGTIMB-UHFFFAOYSA-N 399.291 4.275 0 1 GIAF CNCCN1CCC(c2ccc3[nH]c(-c4ccccc4OC)c(F)c3c2)CC1 64746439 SPSRJAZORUFUOI-UHFFFAOYSA-N 381.495 4.381 0 1 GIAF in-vitro O[C@@H]1[C@H](CNCCOc2ccccc2)CCC1(c1ccccc1)c1ccccc1 73277507 DNAVFAFMJIQKJV-SQJMNOBHSA-N 387.523 4.412 0 1 GIAF COc1cc2nc(N3CCC(C)CC3)nc(NCc3ccccc3)c2cc1OC 82125645 SIOBKYAUIIJXCB-UHFFFAOYSA-N 392.503 4.495 0 1 GIAF CC[C@@H](C)Nc1ncc(-c2ncc(C)o2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82167247 YNIKPOHQOPOBFT-GFCCVEGCSA-N 398.463 4.343 0 1 GIAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)NC4CCCCC4)C[C@@H]2N3)cc1 100109160 YCBKEELBFOOCQV-BKFWDETESA-N 389.543 4.444 0 1 GIAF CC1=C(C(=O)Nc2cccc(C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c2)SCCO1 103733463 MCYZFHKBOIVVFE-GLJUWKHASA-N 388.533 4.175 0 1 GIAF COC(=O)[C@H]1CCN(c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 139014407 NGTCMRXABCXPKB-INIZCTEOSA-N 390.443 4.012 0 1 GIAF CC(C)(C)c1ccc(/C(=C\C(=O)N2CCOCC2)c2ccc(Cl)nc2)cc1 198520163 BAUQXSYUDSNRHL-XMHGGMMESA-N 384.907 4.323 0 1 GIAF in-vitro CC(C)[C@@H](NCc1nc(-c2ccc(C(F)(F)F)nc2)ccc1F)C(C)(C)O 204422660 WOAGDNQGARFCKM-QGZVFWFLSA-N 385.405 4.187 0 1 GIAF Cc1ccc(-c2cnc(C3(NCc4c[nH]c5ccccc45)CCNCC3)[nH]2)cc1 473089351 KYHOGGVQZKNFOZ-UHFFFAOYSA-N 385.515 4.235 0 1 GIAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 586936781 ALCBFZURHNWREX-AWEZNQCLSA-N 379.485 4.460 0 1 GIAF CCOc1cc(/C=C\c2nc3cc(F)cnc3[nH]2)cc(Br)c1OC 586978116 LXTPSFQOBXSKMI-PLNGDYQASA-N 392.228 4.437 0 1 GIAF CCOc1n[nH]c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1Br 586978890 BNQXRBPXOSYWSA-UHFFFAOYSA-N 391.147 4.013 0 1 GIAF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(F)cnc3[nH]2)C[C@@H]2CCCC[C@@H]21 587026894 MZIQXJHQWYSSBQ-JQFCIGGWSA-N 384.480 4.233 0 1 GIAF Cc1nc(O)c(C(=O)O)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105541 CVRWVVRMYGSALP-UHFFFAOYSA-N 382.375 4.220 0 1 GIAF Fc1cc2nc(-c3ccc(F)c(Br)n3)[nH]c2cc1Br 587155860 UGAGBSWMUOOKAE-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF CN(C)C(=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587196912 ZEQGDACDEONPFD-UHFFFAOYSA-N 384.483 4.472 0 1 GIAF Cc1nccn1CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339233 FMNKPPNQGBJWFV-IRLDBZIGSA-N 380.419 4.244 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc4cccc(Br)c4n1)[C@@H](C2)C3=O 587417732 PHIFOAPCSFBYMM-RBZFPXEDSA-N 396.240 4.495 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCC(F)F)c(OC)c1)[C@@H](C2)C3=O 587419474 CHAARYASDPGQAB-LHSJRXKWSA-N 390.382 4.011 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cnn(Cc4ccccc4)c1Cl)[C@@H](C2)C3=O 587420144 HGPDDCRSFPCRGV-YWZLYKJASA-N 380.831 4.082 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CCC(=O)O)(c1cc(F)cc(F)c1)CC2=O 587466148 IUSUSPCVSFEFAP-OAQYLSRUSA-N 390.382 4.348 0 1 GIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc(C(F)(F)F)cc12 587508280 OLFMBFNLKZXQME-HXUWFJFHSA-N 387.357 4.397 0 1 GIAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cccc(C(F)(F)F)c12 587510737 XSUPIAMVMSCIRO-FQEVSTJZSA-N 387.357 4.397 0 1 GIAF CC(C)(C)C(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587650165 OWRRFKZEMXRQAH-UHFFFAOYSA-N 397.365 4.454 0 1 GIAF Cc1nc(O)c(Cl)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587694378 HKFMAWAZZIWSRW-WNWIJWBNSA-N 399.691 4.448 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)c[nH]c3nccc2-3)N1 587729919 IFHHYGXBUWFRIN-YYSFKGJASA-N 392.247 4.353 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nc3ccc(F)cc3[nH]2)N1 587731844 LJFDKLLFIUBXKA-BCTVWOGZSA-N 378.220 4.227 0 1 GIAF COCCOc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587789436 BYBRRPCUVULDEW-BUXKBTBVSA-N 394.284 4.237 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C1 587798468 OLUHQLXXMNXGSM-NSAWSLCGSA-N 398.316 4.317 0 1 GIAF CCc1oc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(=O)OC 587828629 OOZBSORPPSIPEK-XLFHBGCDSA-N 396.256 4.154 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C)nc(-c2ccccn2)n1 587871598 KUBKXSVMHUCTIH-UHFFFAOYSA-N 375.407 4.238 0 1 GIAF O=C(O)c1cccc2c1CCN[C@]21C[C@@H](c2ccccc2)Oc2ccc(O)cc21 963119484 FIBWAPRMBFFLDM-LADGPHEKSA-N 387.435 4.004 0 1 GIAF CN(C)c1cccc([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1 963181275 MQYMKIQAACWIQO-SJORKVTESA-N 398.812 4.113 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccc(Cl)cc2)(C2CC2)N1 963216658 CBGVOADBHWLOEL-RBBKRZOGSA-N 378.859 4.141 0 1 GIAF COc1cc2c(c(OC)c1OC)-c1cc3cc([C@H](C)O)oc3cc1C(=O)CC2 1772613141 NFNOPLXEIPMZNE-NSHDSACASA-N 382.412 4.308 0 1 GIAF COc1ccccc1[C@H](c1nnnn1C(C)(C)C)N1CC[C@@H]2CCCC[C@@H]2C1 1772633142 FCDOGQROZFGSLY-SQGPQFPESA-N 383.540 4.038 0 1 GIAF O=C(CN1CCCCC1)Nc1ccc(Nc2cc(=O)oc3ccccc23)cc1F 1857540848 UWPWMJGCXGKLAT-UHFFFAOYSA-N 395.434 4.100 0 1 GIAF N=c1[nH]cc(-c2ccccc2)n1CCCCCn1c(-c2ccccc2)c[nH]c1=N 1857756302 QOXPMIQVNRQKFI-UHFFFAOYSA-N 386.503 4.109 0 1 GIAF CNCCN1CCC(c2ccc3[nH]c(-c4ccc5c(c4)OCO5)c(C)c3c2)CC1 1911581189 KHPAKZBEZQECBS-UHFFFAOYSA-N 391.515 4.271 0 1 GIAF C[C@@H]1C(=O)O[C@H]2[C@H]3[C@@H](C)c4nc(NC(=O)C5CCC5)sc4C[C@@]3(C)CC[C@H]12 2356321181 UPLMDWYCLKZCGE-ZZVZWZMTSA-N 388.533 4.135 0 1 GIAF CC(C)(C)c1ccc(C(=O)N2CC[C@]2(C)C(=O)Nc2ccc3[nH]ncc3c2)cc1 61929144 DBGAAYNIWUIMPP-HSZRJFAPSA-N 390.487 4.104 0 3 GIAF CC(C)(C)n1nnnc1[C@@H]1CN=C(c2ccccc2)c2cc(Cl)ccc2N1 203464055 LZUVHGUOVJKENR-KRWDZBQOSA-N 380.883 4.086 0 3 GIAF CN(C)CCCOc1ccc(-c2cnc3c(-c4ccsc4)cnn3c2)cc1 13819811 AMQUNUQXLQUCGJ-UHFFFAOYSA-N 378.501 4.455 0 1 GIAF CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CCNCC1 13982377 NKLVBHMAIMEVEH-QFIPXVFZSA-N 397.469 4.209 0 1 GIAF in-vivo Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccccc1OC(F)(F)F 17649405 ZHUMOPHHIOSSLV-LSFURLLWSA-N 386.757 4.076 0 1 GIAF CSc1nc(O)c2c(-c3ccc(F)cc3)c3c(nc2n1)CC(C)(C)CC3=O 18045058 XZKFTBIOOCZSJO-UHFFFAOYSA-N 383.448 4.414 0 1 GIAF CC[C@@H](C)CNCCCNCCCCCCCNCCCNC[C@H](C)CC 29389001 KZZXDUXDKDXVNI-DHIUTWEWSA-N 384.697 4.168 0 1 GIAF COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(N2CCCC2)n1C 38424600 LQQMOOSBUXZGHA-UHFFFAOYSA-N 379.435 4.280 0 1 GIAF O=C(Nc1ccccc1)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1 40411260 NJPAKBYFJXINIF-UHFFFAOYSA-N 381.439 4.403 0 1 GIAF O=C(Nc1cccc(Br)c1)c1nscc1NCc1ccncc1 40897493 UWSYIJITQUJEEK-UHFFFAOYSA-N 389.278 4.165 0 1 GIAF O=C(Nc1ccc(O[C@H]2CCN(Cc3ccc(F)cc3)C2)cc1)c1ccco1 45324265 UTFCCRMIUBBRKK-FQEVSTJZSA-N 380.419 4.324 0 1 GIAF CCOC(=O)c1nc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3)C2)no1 73167553 BUBYRECIKGAERW-KRWDZBQOSA-N 396.834 4.255 0 1 GIAF COc1cccc(-c2cn(C)c(CSc3nc4cc(C)cc(C)n4n3)n2)c1 113421381 MRELBVABYXORIL-UHFFFAOYSA-N 379.489 4.048 0 1 GIAF c1cnc(N2CCN(CC[C@H]3CC[C@@H](c4c[nH]c5ccccc54)CC3)CC2)nc1 169735274 NHQJFVWHLAYQQH-MXVIHJGJSA-N 389.547 4.444 0 1 GIAF O=C1C[C@H](c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)CN1 299866444 OZSFKCNQACUCHB-LBPRGKRZSA-N 389.333 4.151 0 1 GIAF Cc1c(Br)ccc2nc(CSc3ncccc3C(=O)O)[nH]c12 586966615 GAFHFJSFZOGYOV-UHFFFAOYSA-N 378.251 4.019 0 1 GIAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccnc(OCC(F)(F)F)c3)nc2c1 587091834 PGEUBIKYFMTFBY-UHFFFAOYSA-N 385.729 4.006 0 1 GIAF CS(=O)(=O)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587150815 SZWKCXKHILBYFZ-FQEVSTJZSA-N 395.459 4.307 0 1 GIAF CCOC(=O)c1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587202952 CMZBEBQFWMCLRA-INIZCTEOSA-N 389.496 4.222 0 1 GIAF COc1cc(OC)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587375669 FCYPPAIYHJCPPI-INIZCTEOSA-N 392.249 4.063 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(I)ccc1F)O2 587386937 MSSGHQCMFGBHTP-OAHLLOKOSA-N 397.187 4.027 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(C)nn(C)c1Oc1ccccc1)[C@@H](C2)C3=O 587432041 MHLGCKRPGSDPAV-KKSFZXQISA-N 376.412 4.018 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(=O)O)cc4)o1)[C@@H](C2)C3=O 587455242 KUGVZXAKJCAIFD-YCRPNKLZSA-N 376.364 4.142 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCN(C)C)cc1)CC2=O 587470986 XMRWXRDATQANTP-JOCHJYFZSA-N 383.488 4.382 0 1 GIAF CN(C)c1nccc(Cl)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541020 CYAMFDVTBUZSCZ-PXNSSMCTSA-N 396.830 4.210 0 1 GIAF CC(=O)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546057 HWDGIFXDKOIREF-SIKLNZKXSA-N 394.810 4.492 0 1 GIAF Cc1ccc([C@@]2(c3ncc[nH]3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587587011 DWKOVISNIWHNNM-HYBUGGRVSA-N 398.418 4.329 0 1 GIAF CCOC(=O)[C@]1(C2CCCCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599364 XBCZPZWECMAETG-WMZHIEFXSA-N 396.439 4.236 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnn2[C@@H]2CCCCO2)N1 587759449 KZGWTVKVBIMORH-PSZVPEGOSA-N 394.288 4.107 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1CC=C[C@H]2C[C@H](C(=O)O)C1 587825844 INLVNPIKFVRUIF-VVNNMYOVSA-N 394.284 4.005 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)C(F)F)cc1 587870969 MRRRJXNKJHBPRO-UHFFFAOYSA-N 396.390 4.073 0 1 GIAF O=C(NCCCCc1ccccc1)n1c(=O)oc2ccc(C(F)(F)F)cc21 653794124 UWYMLHBVMPCESK-UHFFFAOYSA-N 378.350 4.194 0 1 GIAF COc1ccc2c(c1)c([C@@H]1N[C@H](C(=O)O)Cc3cccc(F)c31)cn2C(C)C 962916966 XZMACFVCYUIYJL-RXVVDRJESA-N 382.435 4.058 0 1 GIAF Cn1c(NCCc2ccc(-c3ccccn3)cc2)nc2cc(Cl)ccc2c1=O 1772646502 BOAJRXYFJOHSNM-UHFFFAOYSA-N 390.874 4.304 0 1 GIAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(=O)[C@@H]3CCCO3)c2)[nH]1 1857542414 HTMPLNGIKKRYHY-HNNXBMFYSA-N 398.463 4.117 0 1 GIAF Fc1ccc(-c2ncnc3c2cnn3CCN2CCCCC2)cc1C(F)(F)F 1857765366 XEAVFDWCRPUMQA-UHFFFAOYSA-N 393.388 4.137 0 1 GIAF CC(=CCc1cc(C(=O)O)ccc1O)CCC=C(C)CC[C@H](O)[C@H](C)C(=O)O 2356718208 NTUPPVZJNOAYQQ-LPHOPBHVSA-N 390.476 4.168 0 1 GIAF CC(C)=CCCC(C)=CCC[C@]1(C)Oc2c(c(O)cc3c2CNC3=O)C[C@@H]1O 2356754768 XGUHYRYUXUVLOK-REWPJTCUSA-N 385.504 4.163 0 1 GIAF C[C@@H](CCC(=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@@]21C 2356837562 LKUNZSUKADSCME-OOQQXBFFSA-N 392.580 4.478 0 1 GIAF Cc1cccc(N2CCN(Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)n1 11661729 PBTWRPMLSWRJOV-UHFFFAOYSA-N 382.895 4.329 0 3 GIAF CCC[C@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(C)ccc1c2=O 61921272 OJOKVCCOALHUDU-LJQANCHMSA-N 383.451 4.432 0 3 GIAF Cc1ccccc1CN1CCCC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O 200050741 IXTLPXMULZZUGQ-QHCPKHFHSA-N 386.495 4.459 0 3 GIAF O=C(Nc1ccccc1)c1cccc(-c2n[nH]c3ccc(-c4nc[nH]n4)cc23)c1 593937 NXGOGBBFOUMUAE-UHFFFAOYSA-N 380.411 4.267 0 1 GIAF O[C@@]12CCCC[C@H]1[C@@H](c1ccc3c(c1)OCO3)N(Cc1ccccc1F)CC2 6576870 QYCGHCGVHINPBT-CDNPAEQRSA-N 383.463 4.423 0 1 GIAF c1cc2c(c(N3CCN(CCCCc4c[nH]c5ccccc45)CC3)c1)OCCO2 13674811 DDLKKLRIFBJGAF-UHFFFAOYSA-N 391.515 4.084 0 1 GIAF COC(=O)CC1=C(Cc2ccccc2)C[C@H]2[C@H](Cc3ccccc3)C[C@@H]1N2C 27409665 UPUHZXXATZMRQT-NHTMILBNSA-N 375.512 4.424 0 1 GIAF Cc1ccc(OCCCCCC(=O)O)c(C(=O)c2ccc(-n3ccnc3)cc2)c1 28386050 PWIBTVPXVRXLSI-UHFFFAOYSA-N 392.455 4.436 0 1 GIAF NCCc1c[nH]c2ccc(NS(=O)(=O)c3ccc4c(Cl)cccc4c3)cc12 28472061 QCSKDQYZHCPHFQ-UHFFFAOYSA-N 399.903 4.277 0 1 GIAF Cc1nc(-c2cccs2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccco2)n1 39960763 KKRDVQJYAMFFAI-SCTDSRPQSA-N 394.544 4.074 0 1 GIAF biogenic CCCCOc1c(OC)cc2c3c1-c1cc4c(cc1C[C@H]3N(C)CC2)OCO4 40877526 IHJTVXMRGWRAEH-QGZVFWFLSA-N 381.472 4.355 0 1 GIAF COc1cccc(Nc2nc(-c3cccc4onc(C)c34)nc3c2cnn3C)c1 64539582 JTLPAXYKBBZGEI-UHFFFAOYSA-N 386.415 4.232 0 1 GIAF CCCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 82136350 OGUSQXPLPLYRMH-HZPDHXFCSA-N 384.499 4.295 0 1 GIAF CCOc1cccc(C2(N3CCN(c4ccncc4)CC3)[C@H]3CC(C)C[C@@H]32)c1 101685259 BMSWYXABHIZRDE-PRRLZWHQSA-N 377.532 4.174 0 1 GIAF Nc1ncc2c(n1)c(Nc1cccc(C(F)(F)F)c1)nc1cc(C(=O)O)ccc12 140384752 ZOQKQCYUJIBHBY-UHFFFAOYSA-N 399.332 4.221 0 1 GIAF c1cc2cc(-c3ccc4cc(C5=NCCCN5)oc4c3)[nH]c2cc1C1=NCCCN1 143829451 HXVIEOHLOLDALT-UHFFFAOYSA-N 397.482 4.061 0 1 GIAF CCO[C@H]1OC[C@]23CCC[C@@]1(C(=O)OC)[C@@H]2CC[C@@H]1[C@@H]3Cc2occc2[C@@H]1C 238785208 CCEGZEAPRHXFQB-OTWIAOKBSA-N 388.504 4.304 0 1 GIAF COc1ccc2cc(Nc3nc(C(N)=O)c(NC(=O)C=C(C)C)s3)ccc2c1 473164980 KHYNPGRLNXPUCU-UHFFFAOYSA-N 396.472 4.052 0 1 GIAF O=[S@](Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)CC1CC1 586959776 QJPJPZNUHFMMJB-NRFANRHFSA-N 381.217 4.003 0 1 GIAF COc1cccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c12 587018542 GQDOTVLBVZSCRH-UHFFFAOYSA-N 379.441 4.057 0 1 GIAF CC(C)[C@@H](c1nc2c(Br)ccc(Br)c2[nH]1)N(C)C 587198508 HOLPTFRRWBGMPL-LBPRGKRZSA-N 375.108 4.347 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(CN4CCCCC4)c1)[C@@H](C2)C3=O 587443230 LORVTHRPEKAQNO-YADARESESA-N 393.483 4.178 0 1 GIAF CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CC(=O)N1Cc1cccnc1 587517892 WTXRWBRXPNDIRG-XMMPIXPASA-N 388.467 4.001 0 1 GIAF CCC[C@]1(c2c[nH]c(C(=O)O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590117 RAQOTKQCDPJWBB-PGRDOPGGSA-N 393.395 4.076 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1nc(Cl)sc1C2 587616920 HGFGBZFCUYADGU-OXQOHEQNSA-N 399.855 4.391 0 1 GIAF Cc1nc2ccccn2c1-c1csc(-n2ncc3ccc(Cl)cc3c2=O)n1 587653108 CRNXQHDTNFBEJG-UHFFFAOYSA-N 393.859 4.119 0 1 GIAF CCn1nc(C)c(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587699480 SMVYUOGJYLRSCG-VXJOIVPMSA-N 386.696 4.390 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3n[nH]c(Cl)c3c2)N1 587705314 MRXKQNHJKLSMPZ-NXSYQRQQSA-N 395.663 4.137 0 1 GIAF COCCn1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587752885 UEXUOZKMGCYXRD-WYRIXSBYSA-N 395.316 4.277 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnn(-c3ccccc3)c2)N1 587761418 UFVFTMLVZAUWNG-HXPMCKFVSA-N 386.268 4.398 0 1 GIAF Cc1cccc2c1NCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587799511 XKJYIKRQVAERAY-CWTRNNRKSA-N 375.285 4.490 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O)N1 587829063 VUBWUZOVDXWTPY-PKRQRPHFSA-N 382.317 4.135 0 1 GIAF Cc1cc2c(cc1[C@@H]1N[C@@H](C)Cc3ccc(F)c(Br)c31)OCCO2 587833759 IAEDOABUHSDNMA-WLRWDXFRSA-N 392.268 4.291 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc([S@](C)=O)cc2)N1 587837895 AGICQOOVKXVLDG-VYCRWZNHSA-N 396.325 4.123 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(O)cc1O 587858004 CJFUIBBKHWDVBS-UHFFFAOYSA-N 393.226 4.355 0 1 GIAF COc1cccc([C@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3ncnn32)c1OC 618005643 RWBYYJFRJSMNEH-ONZPZFSWSA-N 398.463 4.110 0 1 GIAF CCCC[C@]1(C(C)C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963151194 RZGUZEQIBYHLCD-KUHUBIRLSA-N 382.526 4.431 0 1 GIAF CC(C)Oc1ccc(NC(=O)c2cc(N(C)Cc3ccc(F)cc3)ncn2)cc1 1772617448 VAXILCQJXAOMEM-UHFFFAOYSA-N 394.450 4.292 0 1 GIAF C[C@@H](c1nc(O)c2cnn(C3CCCC3)c2n1)N1CC[C@@H](c2ccccc2)C1 1772637782 DXZBQYCXLSGSRO-DOTOQJQBSA-N 377.492 4.198 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(C)=O)CC[C@@]32O)C1 2356450526 XMMWYJKJRBYBKW-XIGBBMPLSA-N 376.537 4.281 0 1 GIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@H](O)C[C@@H]1[C@@H](C)C[C@H](C=C(C)C)OC(C)=O 2356560850 HNCJOYGJZXFKBQ-USAICKRVSA-N 380.525 4.196 0 1 GIAF COc1cc2c(cc1OC)-c1c(c(C=O)cc3ccc(O)c(OC)c13)C2=CO 2356652282 VLGKSDYBNOITCN-UHFFFAOYSA-N 378.380 4.311 0 1 GIAF CCOC(=O)C1(C[C@@H]2CCCCO2)CCN(Cc2nc(C(C)C)cs2)CC1 59322776 YDJKTZAECXTOEA-KRWDZBQOSA-N 394.581 4.371 0 3 GIAF Cc1ccc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)N(C)C)c4)n3c2)cc1 61907136 FZYCJJPXVVYEEI-UHFFFAOYSA-N 398.466 4.247 0 3 GIAF CCCOc1ccc(-c2ccc(C)s2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1 13755588 RUHZMCKGVNYCMP-UHFFFAOYSA-N 394.500 4.458 0 1 GIAF O=c1ccoc2cc(OCCCN3CCc4c(oc5ccccc45)C3)ccc12 13860945 DFXJNWLVSYIHOX-UHFFFAOYSA-N 375.424 4.366 0 1 GIAF CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccnc2Cl)[C@@H]1c1cccs1 20507896 MMVNGZPWVBJXCK-SJORKVTESA-N 397.887 4.346 0 1 GIAF CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)CC1 25993670 GGZGPKVZYAMQPV-UHFFFAOYSA-N 383.831 4.244 0 1 GIAF COc1ccc(-c2scc3[nH]c([S@](=O)Cc4cc(OC)ccn4)nc23)cc1 27520070 ZWIGOJFHYCFEQH-MHZLTWQESA-N 399.497 4.011 0 1 GIAF CC(C)(C)CNCc1ccc2c(c1)Cc1c-2n[nH]c1-c1ccc(C(=O)O)cc1 28714075 MEJVLNPPJZMSNK-UHFFFAOYSA-N 375.472 4.482 0 1 GIAF COc1cc(NCCCCCCN2CCCN(C)CC2)c2nccc(C)c2c1 29569629 SADYUCXIMPSXSE-UHFFFAOYSA-N 384.568 4.162 0 1 GIAF O=C(Nc1ccc(O[C@@H]2CCN(Cc3ccc(F)cc3)C2)cc1)c1ccco1 45324263 UTFCCRMIUBBRKK-HXUWFJFHSA-N 380.419 4.324 0 1 GIAF CCNC(=O)OC[C@@H](Oc1cccc2sc(C(=N)N)cc12)c1ccccc1 45386657 PCIBKAPYDVLZRH-MRXNPFEDSA-N 383.473 4.052 0 1 GIAF CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 49114371 ADKICSRVDIFTQJ-UHFFFAOYSA-N 375.494 4.189 0 1 GIAF in-vivo CCn1c(Nc2ccccc2F)nc2cnc(Nc3ccc(OC)cc3)nc21 82151944 QIQWHUHEIKULHZ-UHFFFAOYSA-N 378.411 4.481 0 1 GIAF COc1cc2c(C[C@@H]3CCC[C@H](C)C3)c(C(=O)Nc3nn[nH]n3)sc2cc1C 95565941 VFNNESNZARAGRT-WCQYABFASA-N 399.520 4.353 0 1 GIAF N[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1 103262201 QZQGXMDLWJNGQH-WOVMCDHWSA-N 391.523 4.367 0 1 GIAF COc1cccc(-n2nnc(C3CC3)c2C(=O)N(C)c2ccc(Cl)cc2)c1 103297776 AGKYBJAEPMUCHJ-UHFFFAOYSA-N 382.851 4.083 0 1 GIAF CC1(C)C[C@@H](c2c[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CCS1(=O)=O 114234788 PZNOTHUZGPKYEZ-HNNXBMFYSA-N 396.512 4.005 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(-c4ccccc4)cn3)C2)cc1 142182078 ISNPFKYJHOREAM-KRWDZBQOSA-N 387.483 4.213 0 1 GIAF COc1ccc(-c2cc3cc(Br)cc(OC)c3oc2=O)cc1OC 299828706 SEAUXGWSFJAQPY-UHFFFAOYSA-N 391.217 4.248 0 1 GIAF O=c1cc(CO)oc([C@H](c2ccc(Cl)cc2)c2c[nH]c3ccccc23)c1O 299832000 PKMBVHGXICDRRD-LJQANCHMSA-N 381.815 4.153 0 1 GIAF Cc1cccc(NC(=O)Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586987055 JQXHLIJLFXFAOH-UHFFFAOYSA-N 395.418 4.036 0 1 GIAF CCOC(=O)/C(=C/N(C)C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 586996541 OHSPESSSZGTMOW-CPNJWEJPSA-N 386.451 4.220 0 1 GIAF NC(=O)c1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 587001271 MPOGADUFNXQBDS-UHFFFAOYSA-N 396.244 4.157 0 1 GIAF Cc1nc(-c2ccccc2)sc1Cc1nc2nc(Br)c[nH]c-2n1 587012227 PZKJVYHNJZEMDN-UHFFFAOYSA-N 386.278 4.090 0 1 GIAF CN(C)C(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587031832 BFXHXEQIVCHSJG-UHFFFAOYSA-N 376.485 4.273 0 1 GIAF FC(F)(F)c1ccn(CCc2nc3cc(Br)cc(Cl)c3[nH]2)n1 587118407 MGYZBWNEKXYDLN-UHFFFAOYSA-N 393.594 4.437 0 1 GIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(C)cnc4[nH]3)cc2)cc1F 587147262 IYRXAWXZJNKBFP-UHFFFAOYSA-N 388.446 4.413 0 1 GIAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587158518 NMWBZGAIEFNAAS-UHFFFAOYSA-N 394.427 4.252 0 1 GIAF Fc1cncc(-c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c1 587177487 ZQNYNQFUTYFOBM-UHFFFAOYSA-N 376.107 4.425 0 1 GIAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(C(F)(F)F)cc2[nH]1 587193756 GMYROTUAIRZDAU-CYBMUJFWSA-N 386.418 4.099 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C1(C)C)CC2=O 587477451 RIMGUFWHOZZKDP-QFIPXVFZSA-N 389.492 4.468 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cccc1S(C)(=O)=O)CC2=O 587481322 BFSZEANOEWCXJN-MRXNPFEDSA-N 394.876 4.108 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCCn3c(O)nc4cccc1c43)CC2=O 587490138 OTTQETIVPSYESA-QFIPXVFZSA-N 378.428 4.055 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Br)ccn1 587538414 DTJMKCIGAZPIAT-QFBILLFUSA-N 398.212 4.253 0 1 GIAF Cn1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1-c1ccco1 587581750 MGZDEHWKNWONEQ-DENIHFKCSA-N 388.379 4.089 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(-c2ncon2)cc1 587587404 GOAUCHNZDLERLY-RXVVDRJESA-N 386.363 4.145 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(-c2ccccc2)[nH]n1 587596223 PVYWWDBWPUISDK-REWPJTCUSA-N 384.391 4.485 0 1 GIAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)CCN1C(=O)c2ccccc2C1=O 587627131 OTDUZVRUKOLDNL-UHFFFAOYSA-N 380.831 4.307 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccc(Cl)nc32)N1 587707406 VJKAKHARXPIPAA-HUTHGQBESA-N 381.676 4.361 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(=O)c2ccc(F)c(F)c2)N1 587725289 ORGBHGMUEISUJV-PWJLMRLQSA-N 384.195 4.325 0 1 GIAF CC(=O)C[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587736077 YTCCENHLHJULSA-WLRWDXFRSA-N 394.259 4.484 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnn(-c3ccccc3)c2)N1 587761512 VBISOBWYAMAFMI-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF COc1ccc2c(c1)NCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587789234 ANTNMWXOELZHFD-JEOXALJRSA-N 391.284 4.190 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(C(C)=O)cc1 587870325 DUMCUTYXCMHWRX-HNNXBMFYSA-N 396.418 4.398 0 1 GIAF Cc1ccnc2c1CCN[C@@]2(c1cccc(CN2CCC2)c1)c1ccccc1F 963066310 GNPZTOQCUGQHMY-VWLOTQADSA-N 387.502 4.172 0 1 GIAF NCCc1ccc([C@@]2(c3ccoc3)c3c(F)cccc3C[C@@H]3CCCN32)s1 963115535 VRMHDKLRLLXOMD-JTSKRJEESA-N 382.504 4.294 0 1 GIAF Cc1cc2c(cc1O)[C@](c1c(C)cccc1Cl)(C(F)(F)F)N[C@H](C(=O)O)C2 963469815 KKVIGZWQHTVYIK-KSSFIOAISA-N 399.796 4.067 0 1 GIAF COc1cc(F)c(-c2cc(F)cc([C@@H](CC(=O)O)c3ncco3)c2)c(F)c1 1772612468 GHLSZPYXCSHEJZ-CQSZACIVSA-N 377.318 4.374 0 1 GIAF CCCC[C@@H]1c2c(C)nn(C(C)(C)C)c2NC(=O)[C@H]1NC(=O)c1cccc(C)c1 1857546480 CNFYQDNRKALSPD-MJGOQNOKSA-N 396.535 4.279 0 1 GIAF COc1ccc(COC(=O)N(c2ccccc2)[C@H]2CN3CCC2CC3)cc1F 1857572391 DJIVSTFQGOLPFP-FQEVSTJZSA-N 384.451 4.072 0 1 GIAF CCn1c(=O)n(-c2cc(-c3cc(Cl)ccc3F)ncc2C)c2ccncc21 1857592459 LRUKFOLUASRQOW-UHFFFAOYSA-N 382.826 4.370 0 1 GIAF CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OCC)C1c1ccsc1 1857611210 VJFGKAUPTQQDMU-UHFFFAOYSA-N 397.496 4.242 0 1 GIAF COc1ccccc1C(=O)N1CC(=O)Nc2ccc(F)cc2[C@@H]1c1ccccc1 2724748 YHAAAWVDUQEHOT-QFIPXVFZSA-N 390.414 4.018 0 3 GIAF Cc1cc2ncc(S(=O)(=O)c3ccccc3)c(-c3ccc(Cl)cc3)n2n1 5127361 GJRKPHDYLQVQAE-UHFFFAOYSA-N 383.860 4.191 0 1 GIAF Cc1nccc2c1[nH]c1cc(OC(=O)[C@]34CC[C@](C)(C(=O)O3)C4(C)C)ccc12 6520693 SHFXXVQXMDMYSM-YADHBBJMSA-N 378.428 4.052 0 1 GIAF CN(CCCCCCOC1CCN(C(=O)c2ccc(F)cc2)CC1)C1CC1 13519720 WJFVTGWPUVSMHU-UHFFFAOYSA-N 376.516 4.102 0 1 GIAF CC(C)(C)C(=O)n1cc(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc21 13737486 SKFFSSPNEHZZSL-PXNSSMCTSA-N 393.512 4.309 0 1 GIAF CN(C(=O)Nc1ccccc1)[C@H]1C[C@H](C(=O)O)Nc2cc(Cl)cc(Cl)c21 27749015 OVLNNOFDEZTVSQ-CABCVRRESA-N 394.258 4.467 0 1 GIAF Cc1ccc2c(=O)c(C(=O)NC3CCCCC3)cn(CCc3ccccc3)c2n1 35050287 JTMKHGYYROKWLS-UHFFFAOYSA-N 389.499 4.010 0 1 GIAF CN(C)Cc1ccc2c(c1)CC[C@H](N(C)C(=O)c1ccc(-c3ccncc3)cc1)C2 38149880 ADTVOYHHLZXZMB-VWLOTQADSA-N 399.538 4.440 0 1 GIAF CN(c1ccccc1-c1ccc2c(c1)Nc1ccccc1NC2=O)S(C)(=O)=O 63540146 MWYKOESKEDEXHN-UHFFFAOYSA-N 393.468 4.059 0 1 GIAF CC(C)CNc1ncnc2c1nc(C1CCCCC1)n2CC[C@@H]1CCCN1C 82177993 SJDMTTQCCKKGBE-SFHVURJKSA-N 384.572 4.426 0 1 GIAF CCCc1nc2c(NCc3cccs3)ncnc2n1CCc1ccccn1 82178279 NBFNHYGSYJXQQM-UHFFFAOYSA-N 378.505 4.090 0 1 GIAF Cc1nn(-c2cccc(F)c2)c(C)c1CC(=O)NCc1ccc(F)cc1Cl 95565366 PMGNKFCTACUFLD-UHFFFAOYSA-N 389.833 4.280 0 1 GIAF Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC(C)C)cn2)c(F)c1 142593555 YEUNIVCDHKRIML-UHFFFAOYSA-N 383.423 4.210 0 1 GIAF COC(=O)[C@]1(Cc2ccccc2C(F)(F)F)CC(=O)O[C@@H]1c1ccccc1 142736397 XGYWCRQSLCHFAX-IEBWSBKVSA-N 378.346 4.096 0 1 GIAF COc1cc(F)ccc1Oc1cc(Cl)ccc1C(=O)Nc1cc[nH]c(=O)c1 143203187 UUAIQHMLXPMLDV-UHFFFAOYSA-N 388.782 4.221 0 1 GIAF O=C(c1cnccc1Oc1ccc(O)cc1)N1CCN(C2CC2)c2ccccc21 169349737 JXDXPWXAPXFYOG-UHFFFAOYSA-N 387.439 4.209 0 1 GIAF Cc1ccc([C@@]2(COC(=O)/C=C/c3ccccc3)CO2)c(OC(=O)C(C)C)c1 238775667 UZOYGCFMXOUXPT-JBOJMBJVSA-N 380.440 4.039 0 1 GIAF COc1ccc(-c2nnc(-c3ccc4nc([C@](C)(O)C(C)C)[nH]c4c3)o2)cc1 586892402 WYYDPFKETVGOKQ-OAQYLSRUSA-N 378.432 4.152 0 1 GIAF COc1cc(Br)c([C@@H](N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 586976620 WPCWHGNHXFWMDV-QGZVFWFLSA-N 390.281 4.008 0 1 GIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(C(F)(F)F)ncc2[nH]1 587041801 FOKSYORVKIYJAV-GFCCVEGCSA-N 398.797 4.286 0 1 GIAF Fc1cc2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2cc1Br 587043286 YPNGBVVODPXBQU-HZPDHXFCSA-N 392.297 4.411 0 1 GIAF Nc1c(-c2nc3ccc(Br)c(F)c3[nH]2)cnc2c(F)cccc12 587176300 KCGAKSBRLJTWTM-UHFFFAOYSA-N 375.176 4.401 0 1 GIAF CC1(C)[C@H]2C[C@@H]1[C@](C)(O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346821 AJVUKXMVTFSSAH-QADNJYMISA-N 396.458 4.446 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(CCOc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 587356596 KGPGBVBIWSTEMR-GMAHTHKFSA-N 392.382 4.274 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](C(F)(F)C(=O)OCC)C1)CC2=O 587460712 IXRVLHORAUZRPY-ZUOKHONESA-N 396.430 4.437 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cccc1N1CCOCC1)CC2=O 587467838 USOUTPANTGMJMM-HXUWFJFHSA-N 385.435 4.027 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](C1CCN(C(=O)OC(C)(C)C)CC1)CC2=O 587476486 UVHJOAWZWUFEAJ-LJQANCHMSA-N 389.492 4.326 0 1 GIAF COc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)OCCCO2 587536906 YHBPCJAEWTXUOJ-FQEVSTJZSA-N 380.440 4.442 0 1 GIAF CC1CCN(CC(C)(C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587581854 JIBOVDBNVBJPQR-NFBKMPQASA-N 395.499 4.481 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(O)ccc2cccnc12 587587967 QUGDUFKHNXQPDK-WMZHIEFXSA-N 385.375 4.349 0 1 GIAF COC(=O)c1ccc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587715461 HUOBRLBPJYVLAP-HUTHGQBESA-N 396.231 4.138 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(Cl)cnn2CCF)N1 587716794 JZOZHEMBOYULOV-CLAHSXSESA-N 390.659 4.031 0 1 GIAF Cc1[nH]c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1C(=O)O 587793159 QLNKRKIOURDAEG-NTCNTBNZSA-N 395.272 4.029 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@@]2(C(=O)O)C3(C)C)N1 587826672 LDHXACJSJXZDFV-VLDUJYHDSA-N 396.300 4.229 0 1 GIAF COC(=O)c1ccc(Oc2ccc3nc(CC(C)(C)CC(=O)O)[nH]c3c2)cc1 587955830 QMMXLQOOMWUXNR-UHFFFAOYSA-N 382.416 4.185 0 1 GIAF CC(C)(C(=O)NCc1cccc(C(F)(F)F)c1)n1cc(-c2ccccn2)cn1 618008050 HNPNNDIILZMMSF-UHFFFAOYSA-N 388.393 4.015 0 1 GIAF CCc1cc([C@H]2c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)on1 961777852 OKPIWYDUXKLFGG-HXUWFJFHSA-N 383.492 4.478 0 1 GIAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CC(C)=O)(C(F)(F)Br)N1 962951715 USLOVIQXKHDTHL-BDJLRTHQSA-N 385.252 4.254 0 1 GIAF Clc1ccccc1C[C@@]1([C@H]2CCCS2)NCCc2nc3ccccn3c21 962992101 XCPDTVNALHOJJL-NQIIRXRSSA-N 383.948 4.467 0 1 GIAF COc1c(C=O)cc(C)cc1[C@H]1c2ccsc2CCN1Cc1cccnc1 962999423 RLZAJDCMNNACJQ-OAQYLSRUSA-N 378.497 4.420 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@H]3c1c(C)cc(OC(C)=O)cc1C 963038103 RMJRMNDFPFCUSF-QHCPKHFHSA-N 376.456 4.021 0 1 GIAF Cc1cc2nc(N3CCN(C)CC3)n(Cc3ccc(F)c(Cl)c3)c2cc1C 1857761820 SEUCNONQNGHFAH-UHFFFAOYSA-N 386.902 4.246 0 1 GIAF Cc1cccc(C(=O)NC2C[C@H]3CCC[C@H](C2)N3C(=O)NC2CCCCC2)c1 1377982 UAUHAXQFAHPNTI-NHCUHLMSSA-N 383.536 4.153 0 1 GIAF COC(=O)[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 26390226 PMMRBDRYCOJUPT-QJBXRSQYSA-N 375.553 4.275 0 1 GIAF CCOCCOC(=O)[C@H](C)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27556061 ULAOQWBWDVCIMV-OIISXLGYSA-N 376.518 4.465 0 1 GIAF Cc1ccc(-c2ncc(C(=O)N3CCC(O)CC3)nc2-c2ccc(C)cc2)cc1 28900404 CSGYZECCJOVBJX-UHFFFAOYSA-N 387.483 4.024 0 1 GIAF CO[C@H](C)C(=O)N(c1ccccc1F)[C@H]1CCN(CCc2ccccc2)C[C@H]1C 34114411 FRLCLTFQCIWDIX-KNKQGSTJSA-N 398.522 4.147 0 1 GIAF Cc1ccc(C(=O)NCCCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1 40422551 ZGRFFKUUDPFJDU-UHFFFAOYSA-N 394.519 4.315 0 1 GIAF COc1ccc(-c2ccccc2)cc1OCCNC[C@@H]1COc2ccccc2O1 40567486 KHXNVNNRQVTRJN-HXUWFJFHSA-N 391.467 4.171 0 1 GIAF COc1cc(OC)cc([C@H]2C3=C(COC3=O)Nc3cc(C(C)(C)C)ccc32)c1 42878059 BFYACQSLNCUCPI-HXUWFJFHSA-N 379.456 4.370 0 1 GIAF CNCCN1CCC(c2cc(C)c3[nH]c(-c4c(F)cccc4OC)nc3c2)CC1 45284264 ZLRRUTKULBYBCH-UHFFFAOYSA-N 396.510 4.085 0 1 GIAF O=C(c1ccc(Oc2cccc(Cl)c2)nc1)N1CCCN(C2CCC2)CC1 53243227 HWQIIVFZLJEVAL-UHFFFAOYSA-N 385.895 4.228 0 1 GIAF COc1ccc(C(=O)c2cccn2C/C=C/c2ccc(CC(=O)O)cc2)cc1 66251663 GFGSQMRXWREBOD-DUXPYHPUSA-N 375.424 4.068 0 1 GIAF Cc1ccc([C@@H]2C[C@H](O)[C@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 72135004 BEJDZVFFWORYPM-BDTNDASRSA-N 394.544 4.075 0 1 GIAF CSCC[C@H](Nc1nc(-c2ccc(F)cc2F)cs1)C(=O)NCC(C)C 82192280 VMXQBJTTWAUFIE-HNNXBMFYSA-N 399.532 4.394 0 1 GIAF COc1ccccc1[C@@H]1C2=C(O)CCCC2=NC(C)=C1C(=O)OC[C@H]1CCCO1 103544884 DDCCBFZIUCCNNG-VFNWGFHPSA-N 397.471 4.226 0 1 GIAF CC(C)C[C@H](O)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586900950 LNPJIAFUOGVEBR-KRWDZBQOSA-N 393.896 4.097 0 1 GIAF CC1(C)OC(=O)C[C@@H]1c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586906502 NAFMWMKCTOHZNV-ZCFIWIBFSA-N 377.160 4.153 0 1 GIAF COc1cc2nc(C[C@H](N)c3ccc(Br)cc3F)[nH]c2cc1Cl 587142447 AQNOBYKEENGNCC-LBPRGKRZSA-N 398.663 4.369 0 1 GIAF O=C(N[C@H](c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccccc1 587222988 NAXBPPMDQKNZEV-JOCHJYFZSA-N 399.450 4.244 0 1 GIAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)C1CCCC1 587226783 SNDHGERPZFZJGK-HNNXBMFYSA-N 377.416 4.156 0 1 GIAF NCc1cccc(-c2nc3c(Br)ccc(Br)c3[nH]2)c1 587246099 KZSBZKPPCBQORR-UHFFFAOYSA-N 381.071 4.214 0 1 GIAF CCOC(=O)C1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587345837 HDRPZFZOQGRGQM-BOBCHSRXSA-N 398.430 4.382 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cn(-c3ccc(Cl)cc3Cl)nn1)O2 587377640 XFUMDDODKRDVTD-QGZVFWFLSA-N 389.242 4.171 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1C(=O)O)(c1ccccc1)O2 587406091 FMWIYCWXJHNTSB-XMMPIXPASA-N 387.435 4.379 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)([C@@H](C)CC(=O)O)[C@@H](C2)C3=O 587421214 UGXXJZQVWHFZQH-SBOBAANCSA-N 386.831 4.102 0 1 GIAF CCOc1ccccc1-n1cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432638 XWCDZLSAPPEYSN-WAIKUNEKSA-N 375.424 4.373 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccnn1-c1ccccc1OC)CC2=O 587482005 YPXRLYWLGVZHKP-OAQYLSRUSA-N 378.428 4.246 0 1 GIAF COC(=O)c1cc(F)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587571432 OFWZBHGGTZJBNI-NQIIRXRSSA-N 394.354 4.021 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cncc(F)c1)C1CC1 587571611 QVUMFAYNRDGBHD-KNQAVFIVSA-N 377.371 4.193 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC=C2Br)N1 587680407 IWWDDDKKDLVDGP-XLKFXECMSA-N 375.079 4.390 0 1 GIAF CCC(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587705065 LBXDZHHPQUYSNO-RTHLEPHNSA-N 382.195 4.249 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=COc3ccc(F)cc32)N1 587734916 SOXCZLRVIFDFGI-YPMLDQLKSA-N 378.216 4.411 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3ccc(F)cc32)N1 587735499 UTHAFKCXDGLAFY-MLCYQJTMSA-N 380.232 4.288 0 1 GIAF COc1ccc(OC)c(-c2nc3c(Br)cnc(Cl)c3[nH]2)c1OC 587799352 YDVKTXIWWWYJSE-UHFFFAOYSA-N 398.644 4.067 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3C[C@@H](C3(C)C)[C@@]2(C)O)N1 587820347 BFTCQPQQBTXCEJ-GSPRJEFZSA-N 382.317 4.135 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CCC(=O)[C@]3(C)CC2)N1 587829632 RQMNGIJQFSMMBH-ZBJVWZGCSA-N 378.285 4.407 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)OCCO3)N1 587836692 XJJKJHTYGCNJLL-NSPYISDASA-N 392.268 4.157 0 1 GIAF COC(=O)c1csc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587850137 XIPBPOVPQKOSJE-VXJOIVPMSA-N 384.270 4.060 0 1 GIAF CCCn1nc(C)c2c(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc(C)nc21 587875854 OIGZWZWGFQRGJM-UHFFFAOYSA-N 391.406 4.255 0 1 GIAF COC(=O)c1ccc2nc(C3(c4cccc(OC)c4)CCCC3)[nH]c2c1OC 587933134 KULSDSRYBLLEIY-UHFFFAOYSA-N 380.444 4.227 0 1 GIAF CCOC(=O)Cc1ccc2nc(CC3=CCCc4cc(OC)ccc43)[nH]c2c1 587933948 AXUJGGWYRVANBQ-UHFFFAOYSA-N 376.456 4.249 0 1 GIAF O=c1c2cnccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1cccc(O)c1 653894996 DKVNLDWFSLAVJZ-RMKNXTFCSA-N 375.815 4.310 0 1 GIAF CCOC(=O)[C@@]1(c2ccc(C)cc2F)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962964859 YNISICMLSYKGOE-WNSKOXEYSA-N 380.463 4.346 0 1 GIAF C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Cn1nnc(-c2ccccc2)n1 1857572089 SZNDOXIIBYLVGQ-QGZVFWFLSA-N 384.439 4.044 0 1 GIAF Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc3ccccc3c1)CS(=O)(=O)O2 1857591002 SJQPLSUPDAQGKK-HXUWFJFHSA-N 390.464 4.188 0 1 GIAF O=C1OC[C@H]2CCN(Cc3cnc4ccccc4c3)Cc3ccc(F)cc3N12 2356290322 PNUGTJCUMXNXQX-LJQANCHMSA-N 377.419 4.105 0 1 GIAF CNC(=O)[C@H](C)[C@@H]1C[C@@]1(C)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 6202028 MRLFYPMAPNGUIL-KNLNXMFASA-N 380.488 4.062 0 3 GIAF CC[C@H](Sc1nncn2c1cc1oc(C)cc12)C(=O)NCc1ccc(C)cc1 6894065 PZCVDMIQXVTRQF-IBGZPJMESA-N 394.500 4.279 0 1 GIAF CC(C)(Oc1ccc(CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1)C(=O)O 13649343 IRWZNEWIQNNFHX-UHFFFAOYSA-N 381.350 4.129 0 1 GIAF O=S(=O)(c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1)C(F)(F)F 28219274 ADGXKCMKCZOQJV-UHFFFAOYSA-N 388.317 4.315 0 1 GIAF COc1ccc([C@H]2CC(=O)N(C)[C@H]2[C@@H](O)c2ccc(-c3ccccc3)s2)cc1 28461866 MDQQUBAQMRNVER-YSZBQJHXSA-N 393.508 4.472 0 1 GIAF N[C@H]1Cn2c(nc3ccc(C(F)(F)F)cc32)C[C@@H]1c1cc(F)c(F)cc1F 43062691 KUXCBAHTPQHJJY-YGRLFVJLSA-N 385.311 4.140 0 1 GIAF FC(F)(F)COc1ccc([C@H]2C[C@@H]2c2nnc3c4ccccc4cnn23)cc1 49113008 DWGMSHVRETUTKL-SJORKVTESA-N 384.361 4.490 0 1 GIAF Cn1c(=O)oc2cc(-c3cc(C(F)(F)F)nn3-c3ccc(F)cc3)ccc21 58590915 YKOUXSMVMVBXAV-UHFFFAOYSA-N 377.297 4.142 0 1 GIAF CC(=O)NCCCC1OCC(Cc2cccc(OCCC3CCCC3)c2)CO1 66251149 PBMOZCAXRBUURK-UHFFFAOYSA-N 389.536 4.094 0 1 GIAF Cc1ncsc1-c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)cccc12 72109243 JLTREXUJSHZINO-UHFFFAOYSA-N 390.443 4.497 0 1 GIAF CN(Cc1ccccc1)C(=O)c1cc2c(CCc3ccccc3)n[nH]c2cc1O 84729525 RDACNCXJMVIJJU-UHFFFAOYSA-N 385.467 4.326 0 1 GIAF CCc1oc(-c2ccc(C)cc2)nc1CCCC[C@H]1CO[C@@](C)(C(=O)O)OC1 101164204 YUNKXIVAULWGSR-CIEDQVTBSA-N 387.476 4.389 0 1 GIAF C[C@H]1OCc2sc(NC(=O)C3C(C)(C)C3(C)C)c(C(=O)N3CC(F)(F)C3)c21 118200351 SSDKNZOPYGQOJX-SECBINFHSA-N 398.475 4.051 0 1 GIAF COC[C@@H]1CCCN1c1nccnc1Oc1ccc(Nc2ccccn2)cc1 139066521 YUZBHYHIGQXOMZ-KRWDZBQOSA-N 377.448 4.023 0 1 GIAF COc1ccc2c(c1)-c1ccccc1[C@H]2N1CCN(C(=O)c2ccccc2)CC1 473106333 WNPIEGSIFXDQQY-XMMPIXPASA-N 384.479 4.223 0 1 GIAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)nc(S)nc4[nH]3)c21 587031776 ARUMSQCXZMGTDA-VIFPVBQESA-N 383.502 4.306 0 1 GIAF COCCN1C(=O)CC[C@H](c2nc3cc(C)cnc3[nH]2)[C@H]1c1ccccc1Cl 587062130 CFOWPQRGFOTMEA-HNAYVOBHSA-N 398.894 4.013 0 1 GIAF Cc1ccc2c3c(cc(-c4cnc5ncnn5c4C)nc13)-c1ccccc1C2=O 587095835 BLQYUOXSWHAGID-UHFFFAOYSA-N 377.407 4.168 0 1 GIAF FC(F)(F)c1nn(CCc2nc3ccc(Cl)cc3[nH]2)cc1Br 587117393 CUFXXWNOAIWTDP-UHFFFAOYSA-N 393.594 4.437 0 1 GIAF CCOc1cc(/C=C/c2nc3cc4nc(O)[nH]c4cc3[nH]2)ccc1OC(F)F 587130334 KVPMFSOPVHRLBW-GQCTYLIASA-N 386.358 4.315 0 1 GIAF Fc1cc(Br)cc(-c2nc3c(F)cnc(Br)c3[nH]2)c1 587161361 QJSUBINTAOGFDF-UHFFFAOYSA-N 388.997 4.428 0 1 GIAF CC(=O)c1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 587258555 NJERWCBYLKDWKZ-IBGZPJMESA-N 386.455 4.337 0 1 GIAF CC1(C)Cc2n[nH]cc2[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351189 ZANQCXJMIGESRF-REWPJTCUSA-N 392.430 4.481 0 1 GIAF CCC[C@]1(CC(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351968 VSVKPVQZOBZPAG-IFMALSPDSA-N 386.419 4.382 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@H]1[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]41)[C@@H]2[C@@H]53 587356221 ZOSPFAFFNVNUPX-RBJJTDRBSA-N 388.438 4.407 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccsc1)([C@@H](O)c1ccsc1)[C@@H](C2)C3=O 587451075 HTWQXULJVRSBMI-RYGJVYDSSA-N 384.478 4.195 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)c3ccc(F)cc3)CC1)CC2=O 587466369 KUYXGVJONOUQHR-UHFFFAOYSA-N 397.446 4.124 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(c1ccccc1F)CC2=O 587467368 QLOPFEAMLIUHEZ-JOCHJYFZSA-N 386.419 4.298 0 1 GIAF CS(=O)(=O)c1cc(Cl)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587531701 KZKDSINJDIARHY-GOSISDBHSA-N 390.888 4.329 0 1 GIAF O=C1C[C@](Cc2cc3ccccc3o2)(C(=O)O)Oc2c1ccc1c2CCCC1 587531931 IXUWCOPVGDXUAJ-HSZRJFAPSA-N 376.408 4.343 0 1 GIAF O=C1COc2ccc(-c3[nH]c4cccc(F)c4c3C(=O)C(F)(F)F)cc2N1 587633663 JBJDJKRSOIRPHS-UHFFFAOYSA-N 378.281 4.050 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)Nc2ccccc2)N1 587742654 LLHYNBPOTWLMBD-CWTRNNRKSA-N 391.284 4.366 0 1 GIAF CO[C@H](C)COC1CCC(c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CC1 587952602 UMFDHSPEPRTZQB-KSTDHSDQSA-N 394.519 4.472 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@@]1(c1ccc(Cl)cc1)C1CNC1 962398455 NPFDCFDODMJJEM-JOCHJYFZSA-N 397.975 4.261 0 1 GIAF COc1ccc(CCCOC(=O)N(c2ccccc2)[C@H]2CN3CCC2CC3)cc1 1857534725 HWEGXFSUSOJEQJ-QHCPKHFHSA-N 394.515 4.365 0 1 GIAF COc1ccc(-c2ccc(NS(=O)(=O)c3ccccn3)c3ncccc23)cc1 1857612382 XUBXJSFVZPACIN-UHFFFAOYSA-N 391.452 4.106 0 1 GIAF C[C@@H]1CN(C(=O)CC2CCCCC2)CCN1C(=S)Nc1ccc(F)cc1 1857614120 RKCDCXWKVABECQ-OAHLLOKOSA-N 377.529 4.026 0 1 GIAF CCCNC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2C(C)C)cc1 1857650114 LLPRHMOCJSWZRR-UHFFFAOYSA-N 376.478 4.109 0 1 GIAF c1ccc2c(=NCCCN3CCCCC3)cc(-c3ccc4c(c3)OCO4)[nH]c2c1 1911580539 PFEMKWMYFFJDAG-UHFFFAOYSA-N 389.499 4.340 0 1 GIAF CC(C)C[C@H]1CNC(=S)N1CC1CCN(CCCCc2ccccc2)CC1 61936104 WRXUSBIDWLDBFN-QFIPXVFZSA-N 387.637 4.326 0 3 GIAF COc1ccc2c(c1OC)C[C@@H](CC1CCN(Cc3ccccc3)CC1)C2=O 3814280 IYXLMUZIMXFFNL-LJQANCHMSA-N 379.500 4.361 0 1 GIAF CCOC(=O)C1(CCOC)CCN(Cc2ccc3cc(Cl)ccc3n2)CC1 12308698 LJQWOCNZESJCGM-UHFFFAOYSA-N 390.911 4.070 0 1 GIAF Cc1nc2cnccc2n1-c1ccc(C2=Nc3ccccc3N(C)C(=O)C2)cc1 13743142 FWMSCMAWBURVDX-UHFFFAOYSA-N 381.439 4.216 0 1 GIAF CC(=O)Nc1ccc(OC(=O)Nc2cc(C(=O)c3ccccc3)ccc2O)cc1 27315538 LFNMYYOVUPBTJI-UHFFFAOYSA-N 390.395 4.193 0 1 GIAF CCSc1nc(N2C[C@H](C)O[C@@H](C)C2)c2cnn(/C=C\c3ccccc3)c2n1 28569868 JVEKUVQBABZCQA-PTVNLRSFSA-N 395.532 4.180 0 1 GIAF Cc1cnc(-c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)nc1 43202023 XWDNKEHWOTTWBY-UHFFFAOYSA-N 390.393 4.002 0 1 GIAF CCC(=O)Nc1cccc2c1CC[C@H]1[C@H]2c2cc(O)c(Cl)cc2CCN1C 45367648 GAXIVOLCJAGLQT-SIKLNZKXSA-N 384.907 4.329 0 1 GIAF Cc1ccccc1-c1nc(C(=O)N[C@H](C)C(=O)OCCC2CCCCC2)co1 82070851 SOCVBQTUEJKPMP-MRXNPFEDSA-N 384.476 4.282 0 1 GIAF COc1cccc(CNC(=O)c2coc(-c3ccc4ccccc4c3)n2)c1OC 82089372 BAOFYHMCDOQHNM-UHFFFAOYSA-N 388.423 4.442 0 1 GIAF CCSc1cccc(-c2ccc([C@@H]3C[C@@H]3c3cc(=O)n(C)c(N)n3)cc2)c1 95552333 CPVOTNHEDGYJNP-OALUTQOASA-N 377.513 4.413 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CN=C4C=C(O)[C@H]5C[C@H]5[C@]4(C)[C@H]3CC[C@]12C 100738364 LNBRDPIYZGBLLR-WJUGLGRYSA-N 384.564 4.466 0 1 GIAF Clc1ccc2c(NCCCNc3nccc(N4CCCC4)n3)ccnc2c1 103260197 SIKUNZAZNFUCCE-UHFFFAOYSA-N 382.899 4.193 0 1 GIAF O=c1ccc(-c2cc3c(cc2F)[C@H](c2ccc(Cl)c(Cl)c2)CNC3)n[nH]1 139623464 OLXVUIIXACCIHX-AWEZNQCLSA-N 390.245 4.118 0 1 GIAF COC(=O)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1 143249430 QZXSZTRXTWALLO-UHFFFAOYSA-N 396.296 4.260 0 1 GIAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)nc1-c1ccccc1 203340240 WVIURTKCAXISHE-IBGZPJMESA-N 390.439 4.011 0 1 GIAF CC(C)C1=CC[C@@]2(C)[C@H](O)C[C@@H](O)[C@](C)(OC(=O)/C=C\c3ccccc3)[C@@H]2C1 238789158 QFWLJZPRVYMZJX-VUWLKCAFSA-N 384.516 4.126 0 1 GIAF O=C(c1ccc(F)c(F)c1)N1CCN2C(=O)c3ccccc3[C@@]12C1CCCCC1 299820637 GJOAWALSEOPUHC-QHCPKHFHSA-N 396.437 4.310 0 1 GIAF Oc1nc(O)c2nc(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2n1 587071745 QSPTUUUREVNQEQ-RMKNXTFCSA-N 394.818 4.167 0 1 GIAF C[C@H](F)[C@@H](N)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587126073 VOSCXTUKACHCMP-MGPLVRAMSA-N 378.245 4.262 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@@H]3C[C@H]3c3cccc(F)c3F)nc-2[nH]1 587152450 NLKAREBZNVVGNL-UONOGXRCSA-N 393.397 4.172 0 1 GIAF Nc1ccc(C(=O)CCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 587252119 WQTHEFFGCZWASM-UHFFFAOYSA-N 378.657 4.377 0 1 GIAF CC(C)[C@H](N)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587259572 VYNQECRTPKWJOH-HNNXBMFYSA-N 376.382 4.490 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1)O2 587396532 UHIMNKWEYSTNBI-JTSKRJEESA-N 388.508 4.337 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ncc(-c3ccco3)[nH]1)(c1ccco1)O2 587396683 NVXAZOWCAZSXOF-NRFANRHFSA-N 375.384 4.062 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cnn(-c4ccc(Cl)cc4)c1)[C@@H](C2)C3=O 587421932 OIDCGFLWTJBXOO-LAUBAEHRSA-N 380.831 4.197 0 1 GIAF COc1cc2c3c(c1)O[C@](c1cccnc1)(c1c(F)cc(F)cc1F)[C@@H](C2)C3=O 587422249 CNROHBDVOFBMAX-NYHFZMIOSA-N 397.352 4.199 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1ccc(OC)cc41)[C@@H](C2)C3=O 587439452 VWRRQYXEDRIKQY-GAJHUEQPSA-N 375.424 4.164 0 1 GIAF C[C@@]1(CC(=O)NCCCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587512632 NSNCEDDCHHADMM-VWLOTQADSA-N 391.511 4.428 0 1 GIAF O=C1C[C@@H](c2ccc(N3CCC(O)CC3)s2)Oc2c1ccc1c2CCCC1 587532262 PDKVOZSTJRHIOZ-IBGZPJMESA-N 383.513 4.295 0 1 GIAF Cc1nn(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1Cl 587542911 AQOIOWAKJGTQDB-UTKZUKDTSA-N 398.846 4.279 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1cccnc1 587578025 PPIWPNUEPBVATO-NFBKMPQASA-N 384.391 4.281 0 1 GIAF CCCn1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587583013 SSIISAGHFMPEET-KNQAVFIVSA-N 378.428 4.184 0 1 GIAF CCO/C=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587707290 STIQFYOQHYVDPW-POMGKKLVSA-N 382.195 4.430 0 1 GIAF COc1cc(F)c(F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587722726 ZROBIYAJDIXOKA-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF COc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C(C)C)nn1C 587759058 RVPCYQOEWGOGKH-QGHHPUGFSA-N 396.304 4.077 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CC(=O)c2ccncc2)N1 587779506 SWZNRBNNFFZTAB-BBATYDOGSA-N 377.257 4.006 0 1 GIAF CCOC(=O)[C@H](C(C)C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587797095 LQNGLAWGDWJSIK-SDDDUWNISA-N 386.305 4.173 0 1 GIAF COc1cccc(OC)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587808898 REHVEVQVMGMIMS-MGNBDDOMSA-N 380.257 4.229 0 1 GIAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(-c2ccccc2F)c1O 587945720 PXOZNSVPRWYBND-INIZCTEOSA-N 378.306 4.328 0 1 GIAF O=C(O)CCCCCC[C@]1(c2cccc(F)c2)NCCc2nc3ccccn3c21 962987153 UTJIVNAUJAVWBR-HSZRJFAPSA-N 395.478 4.288 0 1 GIAF Cc1ccc(C)c([C@@]2(CC3OCCO3)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963113622 VDJPMVHAPFFNOU-GBXCKJPGSA-N 381.491 4.470 0 1 GIAF CCCN1[C@H](c2c(-c3ccccc3)nn3cc[nH]c(=O)c23)c2ccccc2C[C@H]1C 963244589 WQWUQSCOBZUXIL-HXOBKFHXSA-N 398.510 4.436 0 1 GIAF COc1ccc2nc(C)cc(OCC(=O)Nc3ccc4c(c3)CCCC4)c2c1 1772600284 WAKHNVWLANOMNJ-UHFFFAOYSA-N 376.456 4.448 0 1 GIAF Fc1ccc(Cn2ccc3c(N4CCC(N5CCCCC5)CC4)ncnc32)cc1 1857583224 JYDMOJYANAKRDD-UHFFFAOYSA-N 393.510 4.073 0 1 GIAF COc1ccc(C2=C(c3ccc(OC)c(OC)c3)[C@H]3CCCN3CC2)cc1OC 2356550116 LCKAEOSNDAVOOZ-LJQANCHMSA-N 395.499 4.500 0 1 GIAF COCc1ccc(C(=O)N2CCC[C@@H](C(=O)c3ccc(Cl)cc3C)C2)o1 11662653 OHIMIXUWTWBDBR-CQSZACIVSA-N 375.852 4.123 0 3 GIAF CC[C@@H]1NC(=O)c2cc3ccccc3cc2-n2c1nc1cc(C)cc(C)c1c2=O 61921292 BUXKCEVGGOBMEB-SFHVURJKSA-N 383.451 4.350 0 3 GIAF CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2-c2cccnc2)cc1 26662991 DBYDCJSATBOJOK-UHFFFAOYSA-N 378.375 4.233 0 1 GIAF CCOc1cc2c(C)nc(O)c(NC(=O)Nc3ccc(OC)cc3)c2cc1OC 28090508 CPTWQSXUYOIZIQ-UHFFFAOYSA-N 397.431 4.309 0 1 GIAF COc1ccc(OC)c(CNc2n[nH]c3ccnc(Oc4ccccc4)c23)c1 28464227 XWQFWBSOLVEUDU-UHFFFAOYSA-N 376.416 4.380 0 1 GIAF COc1ccc2c(c1OC)OC1=C(C(=O)OC1)[C@@H]2c1cc(Cl)cc(Cl)c1 40410079 YQBPHZNHEHYDHX-OAHLLOKOSA-N 393.222 4.346 0 1 GIAF Cc1cncc(Oc2ccc(NC(=O)Nc3cc(C)nc4ncccc34)cc2)n1 64264614 WMZSYYHJYNKMOW-UHFFFAOYSA-N 386.415 4.473 0 1 GIAF CCOc1ccc([C@@]2(c3ccc(O)cc3)C(=O)Nc3c2ccc(F)c3F)cc1 64528396 MXDFGCSIIJYMSZ-JOCHJYFZSA-N 381.378 4.356 0 1 GIAF O=C1C(=O)N(Cc2ccc(-c3ccccc3)cn2)c2ccc(OC(F)(F)F)cc21 64548465 SRSOUIMLYBZFFH-UHFFFAOYSA-N 398.340 4.377 0 1 GIAF CN1CCN([C@H]2Cc3ccccc3Sc3ccc(-c4cncnc4)cc32)CC1 64548620 FVJVBIJJZNFQKE-NRFANRHFSA-N 388.540 4.139 0 1 GIAF O=C(O)C1=Cc2cc(Cl)cc(-c3ccc(CO)cc3)c2O[C@@H]1C(F)(F)F 66066617 LPUGRUAXJGJCMX-INIZCTEOSA-N 384.737 4.291 0 1 GIAF Cc1nc2c3ccccc3nc(SCc3nc(-c4ccccc4)cn3C)n2n1 71340853 SDZHILUJVFJUDZ-UHFFFAOYSA-N 386.484 4.279 0 1 GIAF CCCn1cc(C(=O)O)c(=O)c2c(O)c(Cc3cccc(Cl)c3F)ccc21 72107037 JBOQEZWINBEWGB-UHFFFAOYSA-N 389.810 4.199 0 1 GIAF O=C(O)/C=C/c1cnc(-c2ccc(O)c(C34CC5CC(CC(C5)C3)C4)c2)cn1 72113460 HIGKIFCXDVRUFF-DUXPYHPUSA-N 376.456 4.415 0 1 GIAF COc1ccc(-c2cnc3ccc(NC(=O)NC(C)(C)C)nc3c2)cc1OC 72316159 OUBLXGAHJPBMHW-UHFFFAOYSA-N 380.448 4.234 0 1 GIAF C[C@@H]1CCCN1[C@@H]1CC[C@H](c2ccc(N3CCCC4(CCNCC4)C3=O)cc2)C1 72318335 XRCFSLPGQATEKC-UNWVZKJWSA-N 395.591 4.304 0 1 GIAF CC[C@H](C)[C@H](Nc1nc(-c2cccc(Cl)c2)cs1)C(=O)NCCOC 82192486 VDMHUAFYDMBLGQ-LRDDRELGSA-N 381.929 4.053 0 1 GIAF COc1ccc(NC(=O)N[C@@H](C)c2ccccc2)cc1OCCN1CCCC1 95558929 WADHEHWWXANNCU-KRWDZBQOSA-N 383.492 4.053 0 1 GIAF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H]1c1c2cccc1N1CCOCC1 95571277 NHEXLHUDZFZFTD-NQIIRXRSSA-N 378.472 4.094 0 1 GIAF CC(C)c1ccc(OCC(=O)N(Cc2nc(-c3cccnc3)no2)C(C)C)cc1 95604695 IXZMAOOXIXJHSV-UHFFFAOYSA-N 394.475 4.071 0 1 GIAF COc1cc(C(F)(F)F)cc(C)c1C(=O)C[C@@H]1COCC[C@H]1N1CCCC1 96170651 WVSSYYHBJJJBAT-GDBMZVCRSA-N 385.426 4.096 0 1 GIAF CCN1CC2=C(NC(=S)N[C@H]2c2ccccc2F)/C(=C/c2ccccc2F)C1 96282930 IQROGLXWSXUNFD-GLHYLFFDSA-N 397.494 4.157 0 1 GIAF CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)O/C2=C\c2ccco2)cc1 96929018 IUTCSBZVCMXZIO-RGEXLXHISA-N 392.432 4.192 0 1 GIAF COc1cccc(OC)c1[C@@H]1COC(=O)N1Cc1ccc(OC(F)(F)F)cc1 103258924 PRPRCLHZDNHNJP-AWEZNQCLSA-N 397.349 4.296 0 1 GIAF COc1ccccc1N1CCN(CCCCOc2ccc3scnc3c2)CC1 113386347 SZTHJRLWJXYLME-UHFFFAOYSA-N 397.544 4.286 0 1 GIAF Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cc4ccccc4[nH]3)[nH]2)c1 118820622 OTSXIHOWMPYVRH-UHFFFAOYSA-N 377.473 4.301 0 1 GIAF CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccco1)C1CCCCC1 144321056 IKVXXYJVUWSLCH-IBGZPJMESA-N 383.492 4.106 0 1 GIAF CCCN(CC1CC1)c1ccc(S(=O)(=O)NCC2CC2)c(C(F)(F)F)c1 144653031 SZZWOOZTTLCETB-UHFFFAOYSA-N 390.471 4.020 0 1 GIAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1ccc(OCCF)cc1 167604073 YCLYXQUSYHIHEA-GOSISDBHSA-N 387.451 4.306 0 1 GIAF COc1nc(NCCc2ccc(F)cc2)nc(-c2ccc(F)c3cccnc23)n1 206746019 OKVBHOWRWPVOBE-UHFFFAOYSA-N 393.397 4.028 0 1 GIAF OC1=C[C@@]2(O)CCC=CCCCCN3CC[C@@H]1[C@]1(C[C@@H]4C=CCCCCN4[C@@H]21)C3 253635861 GTTZJRAWTCRMLB-XPVPTZRYSA-N 398.591 4.185 0 1 GIAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc2c(cc1C3)OCCO2 586990934 IYBNZWCRPVQGSS-UHFFFAOYSA-N 393.398 4.494 0 1 GIAF O=C(Cc1ccc(Cl)cc1)c1nc2ncc(Br)c(Cl)c2[nH]1 587072732 VSEKQXUUGVCCDI-UHFFFAOYSA-N 385.048 4.453 0 1 GIAF Fc1cnc(Cl)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12 587081644 DQVLHOLPGBXUPK-UHFFFAOYSA-N 378.194 4.304 0 1 GIAF Fc1cccc(Cn2nnc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c2Cl)c1 587162600 XPDIDHSSJHNMRP-UHFFFAOYSA-N 396.735 4.076 0 1 GIAF CC[C@@H](C(=O)O)n1cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c2ccccc21 587389405 IAMUOGBTNGOVQU-FDDCHVKYSA-N 392.455 4.448 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cccn1CCc1ccncc1)CC2=O 587471514 SJCGEPMZQMVGDD-QFIPXVFZSA-N 376.456 4.490 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(OC[C@@H]3CO3)cc1)CC2=O 587492700 RSZSOWQGIOHJAO-KOSHJBKYSA-N 396.483 4.479 0 1 GIAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1cc(Br)ccc12 587496560 IGZUVXQPOMVQGR-HXUWFJFHSA-N 398.256 4.141 0 1 GIAF CCOC(=O)[C@]1(CCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587521042 HVLJTJWVOXWCAC-DEOSSOPVSA-N 378.468 4.465 0 1 GIAF O=C(O)C1C[C@@H]2CCC[C@H](C1)C21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609238 NUHJSTKQUXAIIQ-XQGKEMGRSA-N 394.423 4.004 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccccc2Cl)N1 587696110 KXEVMGAKFUGKHW-QGHHPUGFSA-N 384.676 4.012 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)nc2C(C)(C)C)N1 587765847 UOOZUUVGXFAWPL-QFYYESIMSA-N 380.305 4.243 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccncc2)(c2ccccn2)N1 587774263 VCNKOZHPBSHLQN-ZUOKHONESA-N 398.279 4.204 0 1 GIAF COc1cc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587806525 JRXBDXWEUQEEOM-NSPYISDASA-N 394.284 4.295 0 1 GIAF CCSc1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1C 587848042 WCUHSENEKJLACO-PSLIRLAXSA-N 384.318 4.057 0 1 GIAF COc1ccccc1-c1cc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)n[nH]1 587876726 XIOQSSIKVDOBEU-UHFFFAOYSA-N 376.347 3.882 0 1 GIAF COc1ccc(C[C@H](C)c2nc3ccnc(Br)c3[nH]2)cc1OC 587927361 SXHXPIMVLWKSQF-JTQLQIEISA-N 376.254 4.084 0 1 GIAF O=C(O)c1cccc(-c2cccc(-n3c(O)cc(Cc4ccccc4)c3O)c2)n1 587938461 YAABNBRJEYLDLZ-UHFFFAOYSA-N 386.407 4.240 0 1 GIAF C[C@]1(C[C@H]2C[C@H]3CC[C@H]2C3)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962700380 JEKBDXZJHVDPCL-KSVCEKJWSA-N 385.401 4.485 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21CCCc2c1cnn2-c1ccccc1 963612568 SILUTFNICAFEGF-VOIUYBSRSA-N 389.499 4.004 0 1 GIAF CC[C@]1(c2ccc3c(c2)cc(O)n3C)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963638578 UHCZNBDORKMVFK-LFVRLGFBSA-N 380.488 4.089 0 1 GIAF CC(C)c1ccc(/C=C/c2nc3ccc(F)cc3c(=NCCN(C)C)[nH]2)cc1 1857550142 GIVPIMDNDFCLHM-KPKJPENVSA-N 378.495 4.458 0 1 GIAF CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccco2)N2C(=N1)Nc1ccccc12 1857560788 YLBXODHZSOMLIX-OAHLLOKOSA-N 377.322 4.002 0 1 GIAF CCN(CC)CCn1c(Cc2ccc(OC)cc2)nc2cc(C(C)=O)ccc21 1857561233 DFHRRMKQBCWKFX-UHFFFAOYSA-N 379.504 4.180 0 1 GIAF CCOc1ccc2c(C)cc(=O)oc2c1COC(=O)CCc1ccc(OC)cc1 1857582862 UKGQEUHNHKQUCU-UHFFFAOYSA-N 396.439 4.185 0 1 GIAF O=C(CN1CCCCC1)Nc1ccc(Oc2cc(=O)oc3ccccc23)cc1 1857593251 PHLACHIKRYAJCZ-UHFFFAOYSA-N 378.428 4.010 0 1 GIAF Cc1nc(-c2ccccn2)ncc1C(=O)Nn1ccc2c(C(F)(F)F)cccc21 1857768721 ODQRICAVMWJRHI-UHFFFAOYSA-N 397.360 4.204 0 1 GIAF COc1ccc(-c2c3[nH]c(O)nc3cc3cc(OC)c(OC)c(OC)c23)cc1 2356566489 JEPFPBHJUISTIM-UHFFFAOYSA-N 380.400 4.123 0 1 GIAF CC[C@H](C)[C@@H]1O[C@H](c2c(O)c(-c3ccccc3)cn(OC)c2=O)[C@@H](C)C[C@@H]1C 2356738621 WGEGPIRBSMWCPA-OPRVOFGJSA-N 385.504 4.428 0 1 GIAF CCCCC(=O)N(CCCC)[C@@H](C(=O)NCc1ccccc1)c1cccnc1 2356843467 NLWXLZQXWPONHI-JOCHJYFZSA-N 381.520 4.258 0 1 GIAF OCC1(CCOc2ccccc2)CCN(Cc2c[nH]nc2-c2ccccc2)CC1 12300399 UQBKJSOULATTNF-UHFFFAOYSA-N 391.515 4.120 0 3 GIAF CC[C@H](CO)Oc1cc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2c1 36389265 MMLCATJMLAUEAH-QGZVFWFLSA-N 383.492 4.388 0 3 GIAF Cc1nc2cc(-c3ccccc3)nn2c(C)c1CC(=O)N[C@@H](C)c1cccs1 6809006 QEVQZWHTZGJKDO-HNNXBMFYSA-N 390.512 4.495 0 1 GIAF NC(=O)N(O)Cc1cccc(OCc2csc(-c3ccc(Cl)cc3)n2)c1 13604038 FQCBHLIBCGPQFB-UHFFFAOYSA-N 389.864 4.312 0 1 GIAF O=C(Nc1ccccc1Br)N[C@@H]1CCN(c2ccc(F)c(F)c2)C1 14973979 ITLKLLSFURKXDH-LLVKDONJSA-N 396.235 4.128 0 1 GIAF COc1ccc(Cn2c3c(c4cc(C)ccc4c2=O)[C@@H](O)c2ccccc2-3)cc1 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O=S(=O)(c1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1)C(F)(F)F 587959865 IKZFWCBWUVJFKS-JSGCOSHPSA-N 380.391 4.203 0 1 GIAF COc1cc(N[C@@H](C)CCCNC(=O)Nc2cccc(O)c2)c2ncccc2c1 1772604480 KOQPBQIVELXZIQ-HNNXBMFYSA-N 394.475 4.351 0 1 GIAF C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Cn1nnc(-c2ccccc2)n1 1857572088 SZNDOXIIBYLVGQ-KRWDZBQOSA-N 384.439 4.044 0 1 GIAF CC1(C)O[C@@]2([C@@H]3CCC[C@@H](Cc4ccc(O)cc4)C3)CC[C@H]1[C@](N)(CCO)C2 2356771466 YENLEYLOULYBJW-HBIMXAGFSA-N 387.564 4.169 0 1 GIAF C[C@@]12C[C@H](NC(=O)N1c1ccc(F)cc1)c1cc(Br)ccc1O2 2498618 SVXUDUAQUJQQKY-WMLDXEAASA-N 377.213 4.358 0 1 GIAF CCOC(=O)C1CCN(CCC(=O)c2ccc(OCc3ccccc3)cc2)CC1 13741928 GSXUGPBBKGBXEF-UHFFFAOYSA-N 395.499 4.114 0 1 GIAF CC[C@](C)(O)c1cc(O)c(C)c2c1Oc1c(Cl)c(O)cc(C)c1C(=O)O2 15266335 XGLSUWDYYHRFBN-IBGZPJMESA-N 378.808 4.310 0 1 GIAF biogenic CC(C)C(=O)N1CCc2cc(-c3csc(NC(=O)c4ccncc4)n3)ccc21 40011805 QRBRCLZEMVZIOA-UHFFFAOYSA-N 392.484 4.003 0 1 GIAF Cc1ccc(/C=C2\CN(C)CC3=C2NC(=S)N[C@@H]3c2ccc(C)cc2)cc1 49683630 SDOOTLZSUVDCHE-PRWBYUBPSA-N 375.541 4.105 0 1 GIAF CCOC(=O)C[C@@H]1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1 53226583 BVOZTBCOMSOLRD-SFHVURJKSA-N 385.529 4.134 0 1 GIAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(NCC2CC2)nc1-c1ccc(F)cc1 82136276 GZRSSUMSWDVPHR-LIRRHRJNSA-N 382.483 4.413 0 1 GIAF CCOc1ccc(-c2cc(NCCc3ccc(OC)c(OC)c3)ncn2)cc1 82160590 WHFLLBKTIVLWPZ-UHFFFAOYSA-N 379.460 4.214 0 1 GIAF CCCCN(CCO)Cc1coc2cccc(OCC3CCCCC3)c2c1=O 95558320 OYSISJFKVUIECM-UHFFFAOYSA-N 387.520 4.347 0 1 GIAF OC[C@@H]1Nc2ccc(-c3cccc(F)c3)cc2[C@@H]2[C@H]1CCN2Cc1ccncc1 95867931 ZBWANAPTTFSGLR-OYDLWJJNSA-N 389.474 4.237 0 1 GIAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3ccccc3)CC2)CC1)C1CCCCC1 100803021 XOMRUHWGUJNGLC-DKXQDJALSA-N 397.607 4.454 0 1 GIAF CCNc1nc(C)c2cc(-c3ccc(O)c(OC)c3)c(=O)n(C3CCCC3)c2n1 117700225 DTPOULWVRVGRLD-UHFFFAOYSA-N 394.475 4.028 0 1 GIAF COc1cccc(OC)c1[C@@H]1C[C@H](C)C(=O)N1Cc1cnc2ccccc2c1 166824454 JLVSTKJHYYRFLD-KXBFYZLASA-N 376.456 4.362 0 1 GIAF Oc1c(-c2nc3cccc(I)c3[nH]2)ccc2c1CCCC2 586899344 YPLPSWYIVCGIIP-UHFFFAOYSA-N 390.224 4.419 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587174335 HKSSSTGBCXBJSX-UHFFFAOYSA-N 377.828 4.297 0 1 GIAF Cc1cc(C)n(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587343831 VOCGFMYDVANNOB-IRLDBZIGSA-N 380.419 4.162 0 1 GIAF CC(C)CCOC(=O)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352346 WZLWNYJYJSMJMJ-UGKGYDQZSA-N 386.419 4.238 0 1 GIAF COc1cccc(-c2cc(CN3C(=O)CCC3=O)nc3c2oc2ccccc23)c1 587363978 RBJIFTBGIUAMLS-UHFFFAOYSA-N 386.407 4.306 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(NC(=O)OC(C)(C)C)n1)O2 587414227 RRIOLJFFDSBWED-CQSZACIVSA-N 375.450 4.087 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCc4c(F)cc(Br)cc41)[C@@H](C2)C3=O 587426274 AGAYKNVQWVTLAS-LIRRHRJNSA-N 389.220 4.186 0 1 GIAF C=CN1CC[C@H]([C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587512947 GXJOFSHRBCLZIC-OFVILXPXSA-N 387.479 4.418 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCc1c(F)cc(F)cc12 587569420 KXLXYDUYPNIVKV-KNQAVFIVSA-N 380.346 4.474 0 1 GIAF CC(C)(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587588342 SUXBDYHJNSKCRP-YLJYHZDGSA-N 376.412 4.183 0 1 GIAF CCCCOC(=O)CC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594796 JEBBVBJWMCDKMI-UGKGYDQZSA-N 384.428 4.236 0 1 GIAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587648669 FBHXOEWQHPKCCY-UHFFFAOYSA-N 381.375 4.130 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)(c2ccc(Cl)cc2)N1 587696806 FQWQRDJIZXIXJN-BTDLBPIBSA-N 384.676 4.012 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3c2cnn3C)N1 587760951 RJISTLSZKXKBKH-JEOXALJRSA-N 388.284 4.273 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCN(C)c3ccccc32)N1 587767781 KTEPGBYMDDKOFT-HXPMCKFVSA-N 375.285 4.206 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cncnc2)N1 587777759 JMBGQLNBIPKHON-RNODOKPDSA-N 398.279 4.204 0 1 GIAF COc1ccc2[nH]nc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2c1 587791153 FOCPBLGERMHOMQ-XYZCENFISA-N 390.256 4.097 0 1 GIAF CCCCCOC(=O)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587798546 YROATJHRIQMLGA-KZULUSFZSA-N 386.305 4.461 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccc(O)cc32)N1 587834685 STNFVHINPBWMKR-NSPYISDASA-N 376.269 4.408 0 1 GIAF Cc1nc2sccn2c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587853588 AMBIKBOZMLINES-RMLUDKJBSA-N 380.286 4.229 0 1 GIAF CO[C@H](C)COC1CCC(c2nc3ccc(Br)c(O)c3[nH]2)CC1 587950225 AFXQXLYTIGJLOE-VOMCLLRMSA-N 383.286 4.109 0 1 GIAF CC(C)c1nn(C)c2c1[C@H](C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)NCC2 962920550 NEONIHNWJGVIAT-HOCLYGCPSA-N 378.561 4.060 0 1 GIAF C=C(Br)C(=O)Nc1ccc2c(c1)/C(=C/c1cccs1)C(=O)N2 1772572042 JKOMJLKYTWVFOC-JYRVWZFOSA-N 375.247 4.088 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3cc(OC4CCC4)ccc3C2)cc1 1772596312 UTSQNUXPTQFXFA-KRWDZBQOSA-N 378.516 4.373 0 1 GIAF Cc1cc(C)n2nc(-c3ccc(CCCF)cc3)c(CC(=O)N3CCCC3)c2n1 1772600475 NLGLBNZGKANOSV-UHFFFAOYSA-N 394.494 4.080 0 1 GIAF Cc1ccccc1C1=NN(C(=O)Cc2ccccc2Cl)[C@](O)(C(F)(F)F)C1 1857751981 ICMMEXRCHARUOS-GOSISDBHSA-N 396.796 4.078 0 1 GIAF CC[C@H](C)[C@@H](CO)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773459 IFIXQTMOIFWLKH-KBXCAEBGSA-N 382.435 4.285 0 1 GIAF O=C(N[C@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1ccccc1 774926 LIEZNINCWXVADD-ZWKOTPCHSA-N 380.419 4.181 0 1 GIAF CC(C)C(C/C=C1\C(=O)O[C@@](CO)(COC(=O)C(C)(C)C)C1(C)C)C(C)C 13583246 KJZLQHREPYKCJR-BVZCLVNKSA-N 382.541 4.135 0 1 GIAF CCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCCO3)CC1 13744385 LHAQPTXAXJGUTB-UHFFFAOYSA-N 383.536 4.056 0 1 GIAF O=C(c1ccccc1Cl)[C@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl 26010180 CUBNONXGJLEYRB-KRWDZBQOSA-N 396.661 4.009 0 1 GIAF CO[C@H](C)C(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@@H]1C 26735668 ZKHJYMVGYOEDCF-MZKRTTBSSA-N 380.532 4.008 0 1 GIAF CCCCOC(=O)Nc1ccc2cn(Cc3ccc(C(=O)O)cc3OC)nc2c1 29468955 QATCPJXGQBXIRS-UHFFFAOYSA-N 397.431 4.140 0 1 GIAF O=C(c1cccs1)N1CCc2cccc(OCCCN3CCCCC3)c2C1 40565148 XTSJMFUKAJUCAS-UHFFFAOYSA-N 384.545 4.201 0 1 GIAF Cc1ccccc1[C@@H](OC1CN(C(=O)N2CCCCC2)C1)c1ccc(Cl)nc1 73274955 HLTIFSIYWBFHOX-NRFANRHFSA-N 399.922 4.440 0 1 GIAF COCCn1c(-c2ccsc2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188225 UBZBQJDVWJUDMS-OAHLLOKOSA-N 393.516 4.417 0 1 GIAF c1ccc(-c2nnc(-c3ccccn3)nc2Nc2cnc3ccccc3n2)cc1 95566853 ZEEUKGDEIRTJNY-UHFFFAOYSA-N 377.411 4.287 0 1 GIAF CC(=O)NCC(CC1C[C@H]2CC[C@H](C1)N2C)(c1ccccc1)c1ccccc1 101276795 HNHGRDMXIHUIFC-DNQXCXABSA-N 376.544 4.372 0 1 GIAF CCOc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SC)nn32)cc1OC 103539535 IWCRPJQVLJAWAV-QGZVFWFLSA-N 386.477 4.079 0 1 GIAF CCN1c2ccc(NC(=O)c3coc(=O)c4ccccc34)cc2[C@@H]2C=CC=C[C@H]21 256979567 DJPQNIXTOACJAN-LAUBAEHRSA-N 384.435 4.463 0 1 GIAF O=C(CCc1ccc(-c2ccc(O)cc2O)cc1)Nc1ccccc1C(=O)O 473098046 FHNFUHICQPARNG-UHFFFAOYSA-N 377.396 4.034 0 1 GIAF CCS(=O)(=O)c1cccc(Cc2nc3cc(Br)cc(C)c3[nH]2)c1 586923119 YWHFHKDOHOUXMM-UHFFFAOYSA-N 393.306 4.018 0 1 GIAF Clc1ccc2c(c1)C[C@H](c1nc3cccc(I)c3[nH]1)O2 587081434 WFUPXMUBXYFXHP-CYBMUJFWSA-N 396.615 4.497 0 1 GIAF Oc1nc(S)nc2[nH]c(-c3cc(C(F)(F)F)ccc3C(F)(F)F)nc12 587095029 NDNIMVWDMPWFCH-UHFFFAOYSA-N 380.273 4.052 0 1 GIAF Cc1cc(Br)cc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 587173374 ZDRMQKFYRNWCSC-GOSISDBHSA-N 389.224 4.401 0 1 GIAF COC(=O)c1ccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2c1 587197991 QRUCQXXCMHRISP-IBGZPJMESA-N 395.459 4.315 0 1 GIAF CN1CCN(c2ccc3[nH]c(-c4ccc(-c5ccccc5N)cc4)nc3c2)CC1 587249917 SEGUGCWHHALTKC-UHFFFAOYSA-N 383.499 4.231 0 1 GIAF Cc1ccc2c(c1)NC(=O)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344351 BZAPAZBQJUEHRZ-OFNKIYASSA-N 389.382 4.046 0 1 GIAF CCn1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1 587344705 XYKBYJGZRYTLBK-IFMALSPDSA-N 380.419 4.330 0 1 GIAF O=C1c2ccc(O)cc2O[C@]2(C=COc3cc(O)ccc32)[C@H]1c1ccc(F)cc1 587356913 LJTPBLIWKBLFJL-GMAHTHKFSA-N 390.366 4.397 0 1 GIAF CC(C)(C)c1nc2nc(O)nc(O)c2cc1Cc1ccc(Br)cc1 587367580 ZVVVYQLQSBAZJZ-UHFFFAOYSA-N 388.265 4.087 0 1 GIAF COC(=O)c1ccccc1-c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)o1 587455633 ONPCYEWQRBDLMJ-ZHRRBRCNSA-N 390.391 4.231 0 1 GIAF CCOC(=O)[C@]1(c2cc(F)cc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501856 GGWJQKPRQYJGFF-JOCHJYFZSA-N 386.394 4.267 0 1 GIAF O=C(O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1Cl 587547535 UAOXPNJSSVQUDM-OXQOHEQNSA-N 396.782 4.447 0 1 GIAF CCC[C@]1([C@H](CC)C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593584 LVLIZBUXYDRFAE-FXCLAUTBSA-N 384.428 4.092 0 1 GIAF CS(=O)(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2cc(Cl)c(F)cc12 587629824 JOWYLYHTQPIFEE-UHFFFAOYSA-N 392.761 4.445 0 1 GIAF CCOC(=O)c1ncn(-c2c(-c3cccc(Cl)c3)[nH]c3cc(F)ccc23)n1 587632750 KJQILGSWRYBIIY-UHFFFAOYSA-N 384.798 4.385 0 1 GIAF CC[C@]1(CC(=O)C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587700317 ALWTWNLKXXPTQZ-RMLUDKJBSA-N 382.195 4.249 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2oc3cccnc3c2N)N1 587748684 XSTOVXTUNVMRAN-NIVTXAMTSA-N 390.256 4.109 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2ccncc2)N1 587757043 UFNCTFMHJCCWHO-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587773912 SDUVNGKFQAZOPF-ADLMAVQZSA-N 379.273 4.180 0 1 GIAF COc1ccc(NC(=O)N2CCN(C(=O)C(C)(C)C)C[C@@H]2c2ccccc2)cc1 653840584 BWUVZONUGAFJJI-HXUWFJFHSA-N 395.503 4.159 0 1 GIAF CCC[C@@]1(C(=O)OC)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961779771 HVNXIDWDLBDGNI-QFIPXVFZSA-N 388.508 4.006 0 1 GIAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@]3(Cc4cccc5cccc3c45)N12 962632609 GULVHQWAGFAUCH-FTJBHMTQSA-N 394.474 4.286 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1sc(NC(C)C)nc1C 963038281 RVWOBKGTZAKYOR-NRFANRHFSA-N 382.533 4.238 0 1 GIAF COc1cccc2c3c(cnc12)CCN[C@]3(c1cccc(F)c1F)C(F)(F)F 963054419 IVXHBMKUPJIUQQ-IBGZPJMESA-N 394.343 4.473 0 1 GIAF CC(=O)c1c[n+](Cc2ccccc2C)ccc1C[C@@H]1Cc2cc(C)ccc2C1=O 1772644820 ZCRIJMJHFHJQDW-HSZRJFAPSA-N 384.499 4.440 0 1 GIAF C[C@H](C(=O)Nc1ncccn1)c1ccc(Nc2ccnc(C(F)(F)F)c2)cc1 1857634736 OPPJSIPNVGQMGT-LBPRGKRZSA-N 387.365 4.376 0 1 GIAF C[C@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 2356810707 BASPEALOGWANGT-YJHQAFPSSA-N 392.580 4.478 0 1 GIAF CCO[C@@H]1OC(C(=O)Nc2ccccc2)=C[C@H](c2ccccc2)[C@H]1CCCO 13635005 LDVJUOORXMQBFG-TXTKFYIRSA-N 381.472 4.074 0 3 GIAF O=c1c(-c2cc(F)ccc2F)cccn1[C@@H](CN1CCCC1)c1ccccc1 13436682 XFMLKAFLDRDBOZ-QFIPXVFZSA-N 380.438 4.479 0 1 GIAF O=C(C[C@H]1CN2CCC1CC2)Nc1cc2cccc(Br)c2s1 13974846 KEUPMWVOFFHALI-ZDUSSCGKSA-N 379.323 4.334 0 1 GIAF N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3cccs3)c2=O)c1 25232645 YUJUQXGKJGJLAU-MOPGFXCFSA-N 387.508 4.068 0 1 GIAF biogenic COc1cc(C)c(-c2cc3cnc(Nc4ccccc4)nc3n(C)c2=O)c(C)c1 28339003 FPNYYZSFESRAJS-UHFFFAOYSA-N 386.455 4.365 0 1 GIAF CC(C)NC(=N)c1cccc(OCCCOc2cccc(C(=N)NC(C)C)c2)c1 40957653 UMRBQKUDRKEYAA-UHFFFAOYSA-N 396.535 4.181 0 1 GIAF CN(C)c1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1 52551183 IWVCRBNZZHWEBR-HSZRJFAPSA-N 388.515 4.465 0 1 GIAF CC1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccco3)n2)CC1 82142452 ZSUWGYXEDRCTKG-UHFFFAOYSA-N 382.508 4.378 0 1 GIAF CC(C)c1nc2c(NCCCc3ccccc3)ncnc2n1C[C@H]1CCCO1 82180031 MFPZEGOCASIPIV-GOSISDBHSA-N 379.508 4.173 0 1 GIAF CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cccc(C(F)(F)F)c3)c2)cc1 84724375 NJNPOYRKVLVZCM-UHFFFAOYSA-N 392.402 4.420 0 1 GIAF Cc1ccccc1-c1ccc([C@@H]2[C@@H](CO)N3CCCCN(CC4CC4)C[C@H]23)cc1 95876971 VXYWKBKVONATQO-CYXNTTPDSA-N 390.571 4.297 0 1 GIAF O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@H](c1cccc(C(F)(F)F)c1)O3 96269843 HOQSHGDIZLASFK-PIGZYNQJSA-N 380.318 4.169 0 1 GIAF COc1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4Cc3ccccc3F)cc2)c1 100108173 CUQPRTZJLUEGSO-QEIWAGNOSA-N 388.486 4.441 0 1 GIAF C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(F)c3)c2cn1)c1ccccc1 261193344 ZZXTZVAZXNUZKK-GFCCVEGCSA-N 376.395 4.042 0 1 GIAF O=C1CCc2cc3[nH]c(-c4ccc(-c5ccc(Cl)nn5)cc4)nc3cc2N1 587086995 GGHYJFQVCLUSIN-UHFFFAOYSA-N 375.819 4.225 0 1 GIAF FC(F)(F)OCc1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587126148 WCDCTLPELFHBJS-UHFFFAOYSA-N 379.054 4.260 0 1 GIAF CCCOc1cc2nc(-c3c(N)cccc3C(=O)O)[nH]c2cc1Br 587248224 ITUBSROCPNOGTB-UHFFFAOYSA-N 390.237 4.062 0 1 GIAF Nc1cc(-c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c2ccccc2c1 587252149 RVYNDYWHRCMBSZ-UHFFFAOYSA-N 382.217 4.426 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(-c4ccc(C(=O)O)o4)cc1)[C@@H](C2)C3=O 587455164 KBCINGCVNOZXMP-QMHKHESXSA-N 390.391 4.316 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCN(c3cccc(OC)c3)CC1)CC2=O 587476009 SIAQSOGHNPZPTN-UHFFFAOYSA-N 381.472 4.358 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C(=O)OCC)c(C)nc1C)CC2=O 587485664 JPPDAPINQAZYAH-HSZRJFAPSA-N 397.471 4.414 0 1 GIAF C[C@H](CC(=O)O)[C@]1(c2ccc(N)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511610 QPEAFRAYYGKOFD-FATZIPQQSA-N 379.456 4.119 0 1 GIAF O=C(O)Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516969 YKUVIEWEZLQLOQ-OAQYLSRUSA-N 375.424 4.311 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cc2ccc[nH]2)[nH]1 587591646 WTIGCAYLNOOYAH-OFNKIYASSA-N 386.407 4.342 0 1 GIAF COC(=O)c1cc(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587594983 QFHFKWRSNXJFRO-UGKGYDQZSA-N 390.391 4.190 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1-c1nccs1 587620401 YZXILDUWZSDUEH-FXAWDEMLSA-N 390.420 4.342 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CC(=O)c2cccnc2)N1 587771343 BWXGKOPSTSYSJW-VOJFVSQTSA-N 377.257 4.006 0 1 GIAF COc1cncc(CC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587776631 YJKDKUOGRUPOJD-ZBEGNZNMSA-N 379.273 4.200 0 1 GIAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(OC(F)(F)F)cccc3[nH]2)cc1 587783999 CNCJCVSZGADJRF-QWHCGFSZSA-N 376.334 4.405 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)[C@H]1CC[C@]2(C)C1(C)C 587818345 QVMJKZYGOKAJNN-LLRCKHJESA-N 380.301 4.343 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2scc3c2OCCO3)N1 587854364 TUYBPBJQZMWWLR-XLFHBGCDSA-N 398.297 4.219 0 1 GIAF Cn1ncc2c1CC(C)(C)C[C@]21c2cccc(F)c2CCN1[C@H]1CCSC1 962698903 DBPKUBNWTKLFDK-NYHFZMIOSA-N 385.552 4.139 0 1 GIAF C[C@]1(C[C@H]2C[C@H]3CC[C@H]2C3)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962700383 JEKBDXZJHVDPCL-RAQBPPHNSA-N 385.401 4.485 0 1 GIAF C[C@H](COCc1ccccc1)[C@H]1N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962704875 DQKBZVIYDKYYQJ-MDASCCDHSA-N 377.406 4.226 0 1 GIAF CCOc1ccc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cn1 962953573 JMBAJKATSIVSFQ-IBGZPJMESA-N 392.421 4.240 0 1 GIAF C[C@@H]1CCCN(CCCOc2cccc([C@@H]3NCCc4ccc(O)cc43)c2)C1 963329399 NTSLVKLXHJJTDD-KOSHJBKYSA-N 380.532 4.128 0 1 GIAF CO[C@@H]1Cc2ccccc2C2(CCC(N3CCN(C4CCCCC4)CC3)CC2)O1 1857643785 MIPCEALSEKXIDY-JYNIAERNSA-N 398.591 4.320 0 1 GIAF O=C1CC[C@@H]2C[C@]3(C[C@@H]4CCN1[C@@H]42)Nc1ccccc1N=C3NC1CCCCC1 61958540 CGQPZSNAOBKBFF-PXZOFWEESA-N 392.547 4.224 0 3 GIAF COc1cc2c(c3c1C(=O)C[C@@H](c1ccc4c(c1)OCO4)O3)C=CC(C)(C)O2 14559821 VKZPFWQDJJZRFN-INIZCTEOSA-N 380.396 4.315 0 1 GIAF biogenic COc1c(O)cc2oc(-c3ccc(OCC=C(C)C)cc3)c(OC)c(=O)c2c1O 14644936 IDAXSSXPTYXRHT-UHFFFAOYSA-N 398.411 4.233 0 1 GIAF biogenic COc1cc(-n2c(-c3ccc4ccccc4c3)coc2=O)cc(OC)c1OC 26831924 XJQIINVHKNZJLK-UHFFFAOYSA-N 377.396 4.277 0 1 GIAF O=C(Nc1cc(Br)ccc1O)c1ccc(CNc2ccncc2)cc1 40898103 MABHZJRWBRBSJO-UHFFFAOYSA-N 398.260 4.414 0 1 GIAF Fc1ncccc1-c1cnc2nc(N3CCC(N4CCCCC4)CC3)sc2c1 45291200 ZBVOFUBEUUXETE-UHFFFAOYSA-N 397.523 4.347 0 1 GIAF CCN1CC2=C(NC(=S)N[C@H]2c2ccc(C)cc2)/C(=C/c2ccc(C)cc2)C1 64448649 SQIIYCCGOMTDRN-IMEWXKHHSA-N 389.568 4.495 0 1 GIAF CCN(C)C(=O)c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1 82134068 CVVWNFLRWOBGDI-UHFFFAOYSA-N 378.451 4.029 0 1 GIAF Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2C(=O)N2CCCC2)c1 82146214 ODZQIKUGPJXFPO-QZTJIDSGSA-N 378.520 4.170 0 1 GIAF C[C@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(OCCN)c(Cl)c1 84688069 YCNLGWNCNYXVDZ-HNNXBMFYSA-N 388.939 4.395 0 1 GIAF Cc1ccc(C(=O)Nc2cccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@@H]4C3=O)c2)cc1 101700261 HMQHUXKCAGDWOY-XPGWFJOJSA-N 376.456 4.173 0 1 GIAF CN1C(=O)CCc2cc(-c3cncc(COc4ccc(Cl)cn4)c3)ccc21 221364525 KSGLSJNEVCWGCX-UHFFFAOYSA-N 379.847 4.285 0 1 GIAF CC(=O)N[C@H](Cc1nc2ccc(F)c(C)c2[nH]1)c1ccc(Br)cc1 586985126 KKSAEJXQUHURHZ-MRXNPFEDSA-N 390.256 4.193 0 1 GIAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2c(Cl)ccnc2[nH]1 587111824 DTLHDMZVWLKBLP-INIZCTEOSA-N 382.773 4.030 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c12 587160505 CVQPWLMPKNYSEG-VXGBXAGGSA-N 375.197 4.434 0 1 GIAF CCOC(=O)C[C@@]1(C2CCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352298 WUEZXRFLKGZHME-GMAHTHKFSA-N 398.430 4.382 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cc(F)ccc1Br)[C@@H](C2)C3=O 587425801 HRYOTSJKRXCOMT-SCLBCKFNSA-N 377.209 4.260 0 1 GIAF CCOC(=O)[C@@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443554 WFDVFYRDMCRFAP-KOSHJBKYSA-N 394.467 4.199 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H]([C@H](F)C(=O)OCC)C1)CC2=O 587464903 YXXLMCDMPXOMFN-FPSMJMQUSA-N 378.440 4.140 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc3c(c1)OCO3)CC2=O 587471106 ZGOODGPGUUYPJO-BREAQWACSA-N 395.455 4.009 0 1 GIAF CCOC(=O)C[C@]1(c2ccc(Cl)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587497119 FOJOOIDZEQQKMP-QFIPXVFZSA-N 399.874 4.428 0 1 GIAF COC(=O)[C@@H](C)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587520878 GMFHPLUUULXIBQ-SZNDQCEHSA-N 380.440 4.212 0 1 GIAF Cn1nc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587582073 NQDDFHUWMYOOBQ-XXBNENTESA-N 386.407 4.156 0 1 GIAF CCC[C@]1(c2c(C)n[nH]c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589430 OKQQXWIPCXIMSA-SIKLNZKXSA-N 378.428 4.389 0 1 GIAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(F)c1F 587716936 KCZVOVRJUKJNHW-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(CN(C)C)cc2)N1 587740318 JFCRHZMPBQKJMW-BUXKBTBVSA-N 377.301 4.273 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(N(C)C)c2)N1 587755452 OKRYLXPEHKNYQE-BUXKBTBVSA-N 377.301 4.452 0 1 GIAF C[C@@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2CCCC[C@H]2N1 587795817 OSXVZFZVRIEHBG-KSFRPEIDSA-N 381.333 4.258 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2OCCCO3)N1 587834827 MOKQKPQLEZEHHZ-ADLMAVQZSA-N 392.268 4.373 0 1 GIAF CC[C@]1(Cc2nc3cc4c(cc3[nH]2)OCCCO4)CC(=O)c2ccccc2C1 587962138 VDVDJIJLIOONIR-HSZRJFAPSA-N 376.456 4.492 0 1 GIAF CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC[C@H](O)CC)cc12 653723581 GMPJQQJTFPURQY-GOSISDBHSA-N 381.472 4.324 0 1 GIAF C[C@@H]1CN(C(=O)c2cc3ccccc3o2)CCN1C(=O)Nc1ccc(F)cc1F 653822616 CEIWIHLDZOGDBP-CYBMUJFWSA-N 399.397 4.089 0 1 GIAF CCc1cccc([C@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962929179 RVYMAHXTPKXONU-XZOQPEGZSA-N 389.451 4.435 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc(OCC(F)(F)F)c(F)c1 963609124 LUEBZZLHNFZEEB-WYRIXSBYSA-N 399.384 4.408 0 1 GIAF COc1ccc(-c2ccc3c(C)nc4c(nnn4-c4ccc(OC)cc4)c3n2)cc1 1857584810 OTMLXAJAVOHGDX-UHFFFAOYSA-N 397.438 4.356 0 1 GIAF O=S1(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(Cl)c2[C@@H](O)C1(F)F 1857632783 SPOHUQUKAIBKHQ-CYBMUJFWSA-N 399.173 4.338 0 1 GIAF c1ccc2c3c([nH]c2c1)C1(CCN(Cc2ccc4c(c2)OCCO4)CC1)OCC3 1857771890 VOUYSWHZMJVQFH-UHFFFAOYSA-N 390.483 4.003 0 1 GIAF Cc1ccc(CNC(=O)CC[C@@H]2CCCN(Cc3cccc4cccnc34)C2)o1 12315669 IRUNKAFOIOTZLV-IBGZPJMESA-N 391.515 4.445 0 3 GIAF Cc1cnn2c(-c3ccc(F)cc3)c(-c3ccc(S(C)(=O)=O)cc3)nc2c1C 13861645 JQSYHNUNFSYXCK-UHFFFAOYSA-N 395.459 4.223 0 1 GIAF CC1=C(C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)[C@@H]2Nc3ccccc3N(C)[C@H]2O1 17224103 DZCIUYJBFWBQJD-MMLLQUPCSA-N 382.504 4.305 0 1 GIAF CN(C)C(=O)OC1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1 27205418 SAFWCMBAZWGJOA-UHFFFAOYSA-N 395.290 4.117 0 1 GIAF C[C@@H]1CCC[C@@]1(Oc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1)C(=O)O 27525323 HDYARACYWFANNM-GYCJOSAFSA-N 393.483 4.379 0 1 GIAF Cc1nc2c3c(c(C(=O)N4CCCC4)cn2c1C)CC[C@H](c1ccccc1)O3 28867178 HQXAXINBUGBUIF-HXUWFJFHSA-N 375.472 4.253 0 1 GIAF O=C1Nc2ccccc2[C@@H]1CCCCN1CCN(c2cccc(Cl)c2)CC1 29055391 RISHXOUPXKJKGQ-FQEVSTJZSA-N 383.923 4.368 0 1 GIAF C[C@H](Nc1c(-c2ccc(F)cc2F)c(Cl)nc2ncnn12)C(F)(F)F 35090941 UXMMONFJUDINOY-LURJTMIESA-N 377.704 4.086 0 1 GIAF CC(C)(C)c1ccc(COC(=O)N2CCC(CNc3ncccn3)CC2)cc1 35259177 QMKIWWSSEBBOLG-UHFFFAOYSA-N 382.508 4.235 0 1 GIAF Cc1ccc(Nc2nc(C)cc(N3CCN(CCc4ccccc4)CC3)n2)cc1 45323883 OGPPVIJVSLFRPA-UHFFFAOYSA-N 387.531 4.202 0 1 GIAF Cc1n[nH]c2ccc(-c3nnc(NC[C@@H](N)Cc4cccc(Cl)c4)s3)cc12 49033594 HHNFRVFYHNQUPY-HNNXBMFYSA-N 398.923 4.025 0 1 GIAF CC(=O)c1ccc(OCCCN2CCN(Cc3ccccc3Cl)CC2)cc1 49808107 GVJHSKLKBZFENG-UHFFFAOYSA-N 386.923 4.129 0 1 GIAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)cc1 62224634 OVZSTRAEQIAPDQ-KRWDZBQOSA-N 377.868 4.090 0 1 GIAF CC[C@H](C)Cn1c(-c2ccc(C(=O)OC)cc2)nc2c(NCC(C)C)ncnc21 82177900 OISUZXPHEZSLNW-HNNXBMFYSA-N 395.507 4.394 0 1 GIAF COc1cc(C(=O)c2ccccc2)ccc1-c1nc(C2CCC2)n2ccnc(N)c12 96168111 HSAABQSAJXAANP-UHFFFAOYSA-N 398.466 4.486 0 1 GIAF O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)NC1CCCC1 96170275 RNNJVLBIQHOYDC-UHFFFAOYSA-N 395.890 4.386 0 1 GIAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1 586888969 KWZZPDZTJXMMNV-BDJLRTHQSA-N 398.406 4.002 0 1 GIAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C(F)(F)F)cnc2[nH]1 586915304 CIISIUVQZFVUAJ-ACJLOTCBSA-N 375.350 4.193 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(C)nccc3[nH]2)cc1 586948730 LPEDEBGMBQLYKB-UHFFFAOYSA-N 378.457 4.043 0 1 GIAF O=[S@@](CCCc1nc2ccc(F)cc2[nH]1)c1ccc(Br)cc1 586958004 CCWMANUHFHXNNY-QFIPXVFZSA-N 381.270 4.205 0 1 GIAF O=[S@](CCCc1nc2cc(F)cc(F)c2[nH]1)c1ccc(Br)cc1 586961966 ZUEMRKYIULSBMW-HSZRJFAPSA-N 399.260 4.344 0 1 GIAF Clc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2n1 587000553 HVCDTQRZQWUSQZ-DAFODLJHSA-N 392.640 4.315 0 1 GIAF COC(=O)c1ccnc2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c12 587064912 QFDGJVZKCDYTEX-UHFFFAOYSA-N 383.791 4.237 0 1 GIAF COc1ccc(-c2nc3ccc(C)c(C)c3[nH]2)c(I)c1 587180089 LLWCAEHBBZGEMW-UHFFFAOYSA-N 378.213 4.460 0 1 GIAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)cc(Cl)c2[nH]1 587193519 CKAWDYRBGQCDMN-LBPRGKRZSA-N 387.311 4.387 0 1 GIAF COc1ccc2c(c1)CC[C@@](N)(c1nc3cccc(OCc4ccccc4)c3[nH]1)C2 587247541 UDPUZYSKVAOWLQ-VWLOTQADSA-N 399.494 4.493 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(I)c1)O2 587385490 DHJNLQLKJSLIEN-HNNXBMFYSA-N 397.187 4.027 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(Br)c1O)[C@@H](C2)C3=O 587413736 PRFJCQFPSYPQDP-DYZYQPBXSA-N 395.636 4.305 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587423337 XFACZKREHYTWCZ-IFXJQAMLSA-N 378.346 4.385 0 1 GIAF COc1cc2c3c(c1)O[C@@](C=C(SC)SC)(c1cccnc1)[C@@H](C2)C3=O 587451050 ITQIDMXYSPULQM-YWZLYKJASA-N 385.510 4.301 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1N)CC2=O 587459823 YXZXAUIQJHJBRJ-QGZVFWFLSA-N 376.250 4.396 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C=O)cc3c1N(C)CCC3)CC2=O 587477290 XDQGLGRDQLZWLT-OAQYLSRUSA-N 379.456 4.246 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@@H](C)C(=O)OCC)CC2=O 587493802 HYKUQLKGZDZXSD-YEJXKQKISA-N 388.485 4.466 0 1 GIAF CCn1ncc([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587516358 CHBDSKPKXGUHBE-OTOIZHKDSA-N 379.504 4.026 0 1 GIAF CC1(C)[C@H]2CC[C@@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C2=O 587604660 VEASUAYMNPSCQR-ICNVXMQJSA-N 378.424 4.118 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccncc3)CC2)N1 587765878 DSWZKQBRFKXRIM-ZDUSSCGKSA-N 390.300 4.013 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H]1CC[C@@]2(C)C1(C)C 587818113 PYMZQHKMOZORJX-MEGNYISJSA-N 380.301 4.343 0 1 GIAF CC(C)C1=CC=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)C(=O)C1 587822899 NHSXZBXPRHCBTQ-BUXKBTBVSA-N 378.285 4.429 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2cccs2)(C(=O)O)N1 587854827 UFZYVZCRDJAHBV-QJGZLDDESA-N 396.281 4.177 0 1 GIAF CN1CCN(CCCCCCN2c3ccccc3Sc3cccnc32)CC1 653713138 FKGCIKNEJVJXTO-UHFFFAOYSA-N 382.577 4.492 0 1 GIAF C[C@@]1(CSc2ccccc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962675819 WZIZSKQFTDMPDV-DHIUTWEWSA-N 392.524 4.341 0 1 GIAF COc1cc(NC(=O)Nc2cc(Nc3ccc(C)c(F)c3)ncn2)cc(OC)c1 1857608515 HIFLMJCISQBGDN-UHFFFAOYSA-N 397.410 4.329 0 1 GIAF CN(C)CCNc1cncc(-c2ccc3[nH]cc(-c4ccccc4F)c3c2)n1 1857637457 JFVYPLNMSLRVGZ-UHFFFAOYSA-N 375.451 4.405 0 1 GIAF CCOC(=O)c1cnc2ccc(OCc3ccccc3)cc2c1[S@@](=O)CC 1857637786 FWJNRNHBABIVNF-MHZLTWQESA-N 383.469 4.118 0 1 GIAF COc1cc2c(cc1OC)C(=O)C[C@H](c1ccc(CN3CCCCC3)cc1)O2 1857657061 WXFFIKRZVNKVTP-HXUWFJFHSA-N 381.472 4.396 0 1 GIAF Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cn3)cc(C(C)(C)O)c2)nc1 1857757845 LPTQAIRPRNDOIX-OAHLLOKOSA-N 393.462 4.310 0 1 GIAF Cc1c(Br)cccc1NC(=O)[C@@]1(C)CCN1CCc1ccccc1 61903940 RYVOMFRXGWWSIH-HXUWFJFHSA-N 387.321 4.403 0 3 GIAF CN(C)c1cccc(/C=C2\C[C@@]3(OC(=O)c4ccc(F)cc4)CCCN2C3)c1 96018832 PMNLLGDOWFCWLR-YJADQXIJSA-N 380.463 4.328 0 3 GIAF CC[C@H]1CC[C@H](C)N(c2ccc3nc(O)c(Cc4ccc(F)cc4)nc3n2)C1 2499512 MGGUYQNXKXLTRC-GJZGRUSLSA-N 380.467 4.475 0 1 GIAF CSc1ccc([C@H]2/C(=C(\O)OC3CCCCC3)C(C)=Nc3nnnn32)cc1 104060169 JFYPYVTYNWTFLE-HVESIFNPSA-N 385.493 4.209 0 1 GIAF N[C@H]1CC[C@@](c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 100420035 PPTRQEYYBDSZBD-PPUGGXLSSA-N 385.863 4.189 0 1 GIAF COc1c(-c2cccc(C(F)(F)F)c2)oc2ccc(NC(C)=O)cc2c1=O 58574948 HWFPCAQPGOKTBJ-UHFFFAOYSA-N 377.318 4.446 0 1 GIAF Cc1ccc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)c(C)c1 100705192 AFHNSSULZIDJMV-UHFFFAOYSA-N 392.484 4.126 0 1 GIAF CC(=O)c1cccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)c1 101074021 DLPRULUYDNVFQS-UHFFFAOYSA-N 391.492 4.482 0 1 GIAF Cc1cc2c(cc1C(F)(F)F)NC(=O)CC(c1cccc(-n3cncn3)c1)=N2 101383316 ILOJIYYHDKPLLX-UHFFFAOYSA-N 385.349 4.058 0 1 GIAF Cc1ccnc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)c1 116825602 VCISZKSRTCANSE-QZTJIDSGSA-N 389.524 4.327 0 1 GIAF O=C1NCN(c2ccccc2)C12CCN([C@@H]1CCCc3ccc(Cl)cc31)CC2 28886341 NPIDMNLGLLNKTA-OAQYLSRUSA-N 395.934 4.146 0 1 GIAF O=C(Nc1ccc(Br)cc1)N1CCCN(Cc2ccccc2F)C1 66136467 GYJJQZMBTOVAGW-UHFFFAOYSA-N 392.272 4.286 0 1 GIAF CC(=O)OCC(=CC(=O)O)CC[C@@H]1[C@H](C(=O)O)C=C[C@H]2C(C)(C)CCC[C@]21C 2356381903 FPDJDCMZKOAFLL-QLDGJZPUSA-N 392.492 4.060 0 1 GIAF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\c2ccncc2)c1 28458478 HCRNQFDSEFFWGM-KTKRTIGZSA-N 387.483 4.108 0 1 GIAF CC1=C2[C@H](OC(=O)C=Cc3ccccc3)[C@H](C(C)C)CC[C@@]2(C)C(=O)C[C@H]1O 2356494845 UWFXUVFDMVGMOG-LUZMIZLMSA-N 382.500 4.334 0 1 GIAF O=C(NCCCc1ccccc1)c1cc(-c2ccc(Br)cc2)on1 72170802 ZLEVQHPKFWAWGE-UHFFFAOYSA-N 385.261 4.467 0 1 GIAF CC(=O)Oc1ccccc1C(=O)Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 222681287 DAUQMUUGYKYFHT-VOTSOKGWSA-N 390.391 4.413 0 1 GIAF O=C(Cn1c(-c2ccccc2)c(-c2ccccc2)oc1=O)NCCc1ccccc1 40835041 BOJQPIAXRHSBPY-UHFFFAOYSA-N 398.462 4.134 0 1 GIAF Cc1cc(C)c(C(=O)Nc2n[nH]c3nnc(-c4cccc(F)c4F)cc23)c(C)c1 45168236 JWLQVPFPRKLVMJ-UHFFFAOYSA-N 393.397 4.476 0 1 GIAF C[C@H]1C[C@@H](Nc2cncc(Oc3ccc(-n4cncn4)cc3)n2)CC(C)(C)C1 82068727 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CC(C)C[C@H](CN(C)C)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572518 PQUONEIQNFAXGN-AYPBNUJASA-N 383.488 4.336 0 1 GIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587593285 LCRFFKYKWVJENT-NZQKXSOJSA-N 392.407 4.286 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(F)cn1 587855155 KEIAVSXHFJVLHV-UHFFFAOYSA-N 380.206 4.478 0 1 GIAF O=C1C[C@@H](c2cc(Br)c(O)cc2O)Oc2c1ccc1c2CCCC1 587500671 UJZSDLQZTVIHRD-SFHVURJKSA-N 389.245 4.446 0 1 GIAF CC1=C(c2ccc3nc([C@@H](C)CSc4ccc(F)cc4)[nH]c3c2)NNC(=O)C1 587171604 PSJUHYVNAQOWBH-ZDUSSCGKSA-N 396.491 4.353 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3cn(C)nc23)N1 587756854 FXXNNELPKSPPKI-NSPYISDASA-N 388.284 4.273 0 1 GIAF Cc1nn(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(C)c1Br 586978824 JGIXNHMVCJOJDK-UHFFFAOYSA-N 391.166 4.345 0 1 GIAF COc1ccc(C[C@@H](C)c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1OC 587927957 ZSNQJTAVQFXNJB-SNVBAGLBSA-N 376.359 4.248 0 1 GIAF OCc1ccc(-c2nc3cc(Br)c(OC(F)(F)F)cc3[nH]2)cc1 586895711 VHWZQBSEHKDCKM-UHFFFAOYSA-N 387.155 4.383 0 1 GIAF COc1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587599839 HYXYBQKIVIBNKI-CTNGQTDRSA-N 376.408 4.364 0 1 GIAF CCOC(=O)CCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349757 QNPKCPUVWBBWHG-IFMALSPDSA-N 386.419 4.382 0 1 GIAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(F)c1F 587718037 MHNYVJIFGAPCJU-RBHXEPJQSA-N 386.211 4.499 0 1 GIAF Cc1cc(C)c2c(c1)[C@@]1(CC(=O)O2)c2ccsc2CCN1Cc1cccn1C 962380603 XCZJYKJTAVGTRX-HSZRJFAPSA-N 392.524 4.314 0 1 GIAF CC(C)c1nn(C)c2c1[C@@](C(F)(Cl)Cl)(C(Cl)(Cl)Cl)NCC2 962918338 IFPQTXVTUIEDDI-JTQLQIEISA-N 397.536 4.356 0 1 GIAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CN)c1cccs1 961751993 UKXKASJNTQRITR-QFIPXVFZSA-N 399.560 4.102 0 1 GIAF CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@H]1c1cccs1 1857565707 VKIVOPGDHLRXOT-AWEZNQCLSA-N 393.390 4.492 0 1 GIAF COC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/C1=C(Cl)c2ccccc2CC1 1857586423 IAGIMQFGOSMQPJ-AIGDTVQASA-N 395.886 4.039 0 1 GIAF C[C@@H](NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccoc1)c1ccc(F)cc1 4051509 GYYGGNFFYYLXPU-RFVSGWPVSA-N 378.403 4.388 0 1 GIAF COc1ccc2[nH]cc(CCNc3ncncc3-c3ccc4c(c3)OCO4)c2c1 4239305 LXRGSBCXKYEARW-UHFFFAOYSA-N 388.427 4.017 0 1 GIAF COc1ccc(-c2nn(C)c3sc(C(=O)N4CCCC[C@@H]4C)cc23)cc1OC 5007380 HVLTXAYZFYBHMB-ZDUSSCGKSA-N 399.516 4.334 0 1 GIAF COc1ccc(CN(CCN(C)CCCCCCCCN)c2ccccn2)cc1 13488711 WHLOMXQALGYOFH-UHFFFAOYSA-N 398.595 4.328 0 1 GIAF COc1cc(Cl)ccc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579670 NYKHMWVVGNMFGN-QGZVFWFLSA-N 382.287 4.282 0 1 GIAF Cc1ccc(C(=O)N[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)C3)cc1CCCN1CCOCC1 45320793 ISAHSOBBNOUBGF-VTZPFEBOSA-N 398.591 4.204 0 1 GIAF COC(=O)c1ccc(CN2C(=O)[C@@]3(CC(C)=CC[C@H](C)O3)c3ccccc32)cc1 66166178 RYTDUGHGAARXLL-BXKMTCNYSA-N 391.467 4.361 0 1 GIAF Cc1nc(-c2cnn(Cc3ccccc3)c2)sc1C(=O)NCc1ccccc1 103236119 NCGJMJXRGFAPKY-UHFFFAOYSA-N 388.496 4.293 0 1 GIAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2CC[C@@H](OC(C)=O)[C@H](C)[C@@]12C 238756097 ZBEIDAHTEHJVBJ-HMAFTSSZSA-N 388.460 4.319 0 1 GIAF CCCCCCC1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H](CO)[C@@H](C)CC 299881648 OJDDWOUTTXHPHK-JEDBISTDSA-N 380.554 4.285 0 1 GIAF CC(C)S(=O)(=O)NCCCN1c2ccccc2CCc2ccc(Cl)cc21 473120538 ODGMYJHTDFVPMT-UHFFFAOYSA-N 392.952 4.295 0 1 GIAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Br)cnc2[nH]1 587109520 WZZQEGZMVBACAP-UHFFFAOYSA-N 386.127 4.104 0 1 GIAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cnc(Cl)[nH]c-2n1 587122692 WLSOTOUHWCRZRL-UHFFFAOYSA-N 379.729 4.380 0 1 GIAF COc1ccccc1Nc1ccccc1-c1nc2nc(Br)c[nH]c-2n1 587241560 WBQFETPLICNMOG-UHFFFAOYSA-N 396.248 4.486 0 1 GIAF COC(=O)c1ccnc2[nH]c(-c3cc4ccccc4cc3NC(=O)C(C)C)nc12 587247793 UEVCETYSGORFCU-UHFFFAOYSA-N 388.427 4.159 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(CNC(=O)OC(C)(C)C)c1)O2 587387195 NYPXOTQBOFOCDN-LJQANCHMSA-N 382.460 4.308 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4cccc(Br)c14)[C@@H](C2)C3=O 587416983 HIKDEJRSBOTWOH-WLRWDXFRSA-N 384.229 4.428 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc4ccc(Br)cc4n1C)[C@@H](C2)C3=O 587420425 WOAHLJNQDKPHBK-XOBRGWDASA-N 398.256 4.438 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCOc4c1ccc(Cl)c4Cl)[C@@H](C2)C3=O 587423105 UESNKNLOFDROQZ-BUXKBTBVSA-N 377.223 4.427 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(OC)c1F)[C@@H](C2)C3=O 587425001 ZXPVEWFFFDGQKS-APPDUMDISA-N 393.208 4.094 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1coc4ccc(C(C)C)cc4c1=O)[C@@H](C2)C3=O 587452849 LZRZYWVHPOVIOS-HJPURHCSSA-N 376.408 4.414 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(CCOC)nc1C)CC2=O 587492039 AHOYJGXLYRYCDH-FQEVSTJZSA-N 375.490 4.179 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518984 SBNJHWASDWYQHQ-FAHJTYSBSA-N 383.488 4.299 0 1 GIAF COc1cc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587555310 GGYWJLDIAFBYJX-SIKLNZKXSA-N 396.370 4.251 0 1 GIAF CCOC(=O)[C@@]1(CC(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595950 MCBYULPTLRQUEN-JTSKRJEESA-N 384.428 4.092 0 1 GIAF CN(C)Cc1csc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587612295 JBMDZMFPFUHCMQ-DENIHFKCSA-N 395.480 4.392 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CSCc1ccccc12 587619278 RFTCKUMUTWQWJG-SIKLNZKXSA-N 376.433 4.496 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nc3ccccc3n2C)N1 587758090 PJADKKPZKFNBER-NSPYISDASA-N 388.284 4.273 0 1 GIAF CCCOc1cccc(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 587779103 VAAUSVDZKIIIKH-UHFFFAOYSA-N 389.459 4.002 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850381 YRJWWICBEVWMAJ-VXJOIVPMSA-N 384.270 4.060 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3snnc3c2)N1 587854498 CCMKAHICDNEBSP-VPTHRUTESA-N 378.270 4.217 0 1 GIAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc(Br)cc1F 963607708 KCNOVZVRIQSDOI-YPMLDQLKSA-N 380.257 4.229 0 1 GIAF N[C@@H](COCc1ccccc1)c1ncc(-c2ccc(OC(F)(F)F)cc2)[nH]1 1772607554 UEKKKCYZHUSYAU-INIZCTEOSA-N 377.366 4.192 0 1 GIAF CCCCCc1ccc(-c2ccc3c(=O)n(C[C@H]4CCCO4)c(=N)[nH]c3c2)cc1 1857642439 ZHLPFTVHHADULF-HXUWFJFHSA-N 391.515 4.388 0 1 GIAF Cc1nc(-c2ccco2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNCC2CCCCC2)n1 2356301197 XOWIMIJGEPYLRI-PWRODBHTSA-N 394.563 4.393 0 1 GIAF C[C@H]1Cc2c(cc3occ(-c4ccc5c(c4)OCO5)c(=O)c3c2O)OC1(C)C 2356331321 YWLRILIWWLAGDX-NSHDSACASA-N 380.396 4.244 0 1 GIAF C[C@@H]1CN(C(=O)CCC(=O)NCc2cccc(Cl)c2)c2ccccc2S1 6750756 CRAGGCKGELVSGV-CQSZACIVSA-N 388.920 4.264 0 1 GIAF C[S@](=O)c1sc(C(=N)N)cc1-c1nc(-c2ccc(Cl)cc2)cs1 13437913 FGEPGZOWAMUQGG-HSZRJFAPSA-N 381.935 4.213 0 1 GIAF O=C1Nc2cccc3c2[C@]1(CCCCN1CCN(C2CCCCC2)CC1)CCC3 22925772 WSHBWAIJJCWATC-VWLOTQADSA-N 395.591 4.333 0 1 GIAF COCc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 26270979 BSDUCYDYYGGBNV-UHFFFAOYSA-N 387.439 4.300 0 1 GIAF COc1ccc(CCc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1OC 45284335 SRSGBGGAMXGBMK-UHFFFAOYSA-N 387.435 4.290 0 1 GIAF CCOc1ccccc1-c1nc(CN(C)[C@H]2CCN(Cc3ccccc3)C2)co1 72181256 DSUOBVBDVBIAHH-NRFANRHFSA-N 391.515 4.447 0 1 GIAF O=C(NCC1CC1)c1cnc(NCc2ccccc2)nc1-c1ccccc1F 82151811 FLAUMNFPHIKQFW-UHFFFAOYSA-N 376.435 4.035 0 1 GIAF O=C(N[C@@H]1CCCC[C@H]1N1CCCCC1)Oc1ccc(Br)cc1 84728780 FQNKFDKEWQCBDO-IAGOWNOFSA-N 381.314 4.335 0 1 GIAF COc1c(CC=C(C)C)c(O)c(C(=O)c2ccccc2)c2c1C[C@@H](O)C(C)(C)O2 85949824 PWGWKJGQQHUWCP-GOSISDBHSA-N 396.483 4.215 0 1 GIAF biogenic,in-vitro CO/C=C(/C(=O)OC)c1ccccc1COc1cccc2c(C)c(C)c(=O)oc12 103187099 FULCVEBXFWAUBE-CPNJWEJPSA-N 394.423 4.149 0 1 GIAF Cc1c(-c2ccc(=O)n(Cc3ccccc3)c2)c2cc(F)ccc2n1CC(=O)O 117015329 PHDYMEBDGLWRBH-UHFFFAOYSA-N 390.414 4.050 0 1 GIAF CCCC[C@@H](C(=O)O)S(=O)(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 143033376 BGPNOVBBAWIIFM-INIZCTEOSA-N 384.538 4.404 0 1 GIAF CC1=N[C@@]2(C[C@@]3(CCCOC3)Oc3ccc(-c4cccc(Cl)c4)cc32)N=C1N 169708631 NDUICAHCFCQKCR-YADHBBJMSA-N 395.890 4.323 0 1 GIAF O=C(NC[C@H](CC1CC1)c1cnc(C(F)(F)F)nc1)c1ccccc1Cl 207684812 CYWXHUBBXYVEIN-LBPRGKRZSA-N 383.801 4.463 0 1 GIAF C1=C(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CCNC1 226078901 PHSZOCMREOEYHD-UHFFFAOYSA-N 382.471 4.009 0 1 GIAF CN1CCN(c2ccc3nc(-c4cc5ccccc5c(Cl)n4)[nH]c3c2)CC1 587085926 ORHOVMCILUJAPN-UHFFFAOYSA-N 377.879 4.183 0 1 GIAF N[C@]1(c2nc3cc(Br)cc(Cl)c3[nH]2)C[C@H]1c1ccccc1F 587155597 JBADZTCPDOKDBS-MGPLVRAMSA-N 380.648 4.459 0 1 GIAF CN[C@H](c1cccnc1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587220918 DKPUBDXDRQNHQS-QGZVFWFLSA-N 389.297 4.064 0 1 GIAF CCc1ccccc1NC(=O)c1nc2c(Cl)ncc(Br)c2[nH]1 587240997 NCWMRJORYGDHFW-UHFFFAOYSA-N 379.645 4.189 0 1 GIAF COc1ccc2c(c1)CC[C@](N)(c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)C2 587246004 CHNOUHVTLVLQRX-GOSISDBHSA-N 379.357 4.072 0 1 GIAF N[C@H]1CC[C@@H]1c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587247250 XCJUVDSCNDVZSP-HZMBPMFUSA-N 392.356 4.178 0 1 GIAF COC(=O)C[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H]1C 587351636 NFAAOAWUYHSPME-MNJSWSTNSA-N 398.430 4.238 0 1 GIAF CCOC(=O)[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587351809 VIFXBEVJIUQWPL-UGKGYDQZSA-N 386.419 4.238 0 1 GIAF COc1cc(Br)ccc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587376671 JVDFXDAUWZBGMS-SFHVURJKSA-N 376.250 4.229 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(Cl)n(C)c4ccc(C=O)cc14)[C@@H](C2)C3=O 587418369 ALVRYCLLTCURKN-XOBRGWDASA-N 381.815 4.142 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCc4c(F)ccc(Br)c41)[C@@H](C2)C3=O 587428515 OZFYLVSJNPVLIJ-HXPMCKFVSA-N 389.220 4.186 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccc(OC)cc3)c1)CC2=O 587475050 KQTHSCFKHWXYKS-NRFANRHFSA-N 378.428 4.246 0 1 GIAF Cc1ccc(-c2n[nH]cc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587597931 WTWJODCZEPPUNG-PGRDOPGGSA-N 388.379 4.387 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)nc2sccn12 587619345 RZJNRBNMCYJHNI-DYVFJYSZSA-N 398.827 4.458 0 1 GIAF Cc1nc2c(s1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619750 UWGUPEYYTSXNDJ-UTKZUKDTSA-N 379.437 4.351 0 1 GIAF CCCn1nc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587756004 JCDKRDQQNYBNNB-XTZNXHDOSA-N 380.305 4.435 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-n2cccn2)N1 587756716 FCYZKDJWLYXGNR-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF Cc1nc2sccn2c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587856611 OAUJGUIRCPTKJQ-CLAHSXSESA-N 380.286 4.229 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@H](C)CN1CCCCC1 587863379 HYCDLMYFTHLHLF-CQSZACIVSA-N 395.425 4.340 0 1 GIAF C[C@@H]1CCc2cc(-c3nccn3C)ccc2N1C(=O)c1cc(Cl)c(O)cc1O 653633827 HGWPYDZYRWUXAC-GFCCVEGCSA-N 397.862 4.133 0 1 GIAF C[C@H]1Oc2c(cc(C(=O)Nc3cccnc3)c3c2C=CC(C)(C)O3)C(=O)[C@@H]1C 1772577451 HIVFAIHMZMIBRR-CHWSQXEVSA-N 378.428 4.118 0 1 GIAF Cn1c(-c2ccc(CN3CCCC3)cc2)cc2onc(-c3ccccc3)c2c1=O 1772633118 DCIQQCVQDWURJH-UHFFFAOYSA-N 385.467 4.456 0 1 GIAF CN1CCN(c2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc2F)CC1 1857619122 CVPPJYLFCSTCJN-UHFFFAOYSA-N 389.837 4.057 0 1 GIAF O=C(CN1CCCC1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 1857636175 DOYVJKYZVQVRHB-UHFFFAOYSA-N 381.867 4.061 0 1 GIAF C[C@H](NC(=O)c1ccc(Cl)cc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356299848 PILCHRWDODXNJL-JTQLQIEISA-N 388.782 4.323 0 1 GIAF Cc1nc2ccccc2n1Cc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 605356 MUXHEFBAOKARLM-UHFFFAOYSA-N 397.544 4.346 0 1 GIAF CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CCCC[C@H]1O 777198 SZKMZSZTBUJMPF-ZIAGYGMSSA-N 394.874 4.465 0 1 GIAF O=C(NCc1ccccc1)c1cnc(Nc2cccc(F)c2)nc1C(F)(F)F 3947921 GGNMVLNVEUGZFG-UHFFFAOYSA-N 390.340 4.308 0 1 GIAF COc1ccc(C(=O)[C@@H]2CCCN(Cc3nc4ccccc4s3)C2)cc1OC 23128453 RUVWMAKNAXDLNA-MRXNPFEDSA-N 396.512 4.408 0 1 GIAF CCOc1ccc(-n2c(C)c3c(C)nnc(NC[C@H]4CCCO4)c3c2C)cc1 28569436 FEBZPRWSSJUQKB-LJQANCHMSA-N 380.492 4.335 0 1 GIAF COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3[C@H](C)C(=O)O)cc2)cc1 45321349 XORCBTCEBZUVES-HNNXBMFYSA-N 396.464 4.383 0 1 GIAF COc1ccc([C@@H]2[C@H]3CCCCC3=NN2S(=O)(=O)c2ccc(C)cc2)cc1 58594179 PNKFAHYERFQZEN-PZJWPPBQSA-N 384.501 4.295 0 1 GIAF CCCCCCN1C[C@H](O)[C@H](n2cc(C3CC3)nn2)C[C@@H]1c1ccc(C)cc1 72119652 SKSCWLKHHLXXKL-ZLNRFVROSA-N 382.552 4.393 0 1 GIAF CC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N1CCN1CCN(C)CC1 72126013 MKMVBGHBAXVMGI-QFIPXVFZSA-N 382.939 4.042 0 1 GIAF C[C@@H]1CC[C@H]2[C@@]3(C)COC(C)(C)O[C@H]3CC[C@@]2(C)[C@]12CC[C@]1(COC(=O)C1)O2 82077837 MFCIMOFKLLMGJA-KSWGRZJBSA-N 392.536 4.225 0 1 GIAF ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4C[C@@H]([C@@H]5O[C@H]54)[C@@H]3[C@@]1(Cl)C2(Cl)Cl 100091855 DFBKLUNHFCTMDC-SYWQPDGQSA-N 380.913 4.481 0 1 GIAF endogenous,in-man COc1ccc(-c2nc3ccccn3c(=O)c2-c2ccc(OC)c(OC)c2)cc1 103238372 RWEPSHSYOLACQY-UHFFFAOYSA-N 388.423 4.054 0 1 GIAF CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)CCNCc1ccccc1 114099625 YRTJQYZHOQRLRU-UHFFFAOYSA-N 396.531 4.012 0 1 GIAF CC(C)n1cc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2cccc(CO)c2-3)cn1 144903601 VWXDZHHBPKRPDI-FQEVSTJZSA-N 388.389 4.402 0 1 GIAF Cc1ccc2nc(C)c3nnc(-c4cc([C@@H](O)C(C)C)ccc4Cl)n3c2n1 145734215 RGHSXVXSIDRFBH-KRWDZBQOSA-N 381.867 4.299 0 1 GIAF CC(C)(C)NC[C@H](O)COc1ccc(-c2ncc(-c3ccc(F)cc3)[nH]2)cc1 169317563 AHAUGUYGLHWMGN-SFHVURJKSA-N 383.467 4.011 0 1 GIAF OC[C@@H](COc1cccc2cnccc12)NCc1ccc(Cl)cc1Cl 169328840 FYAFHUKGEOIOFD-INIZCTEOSA-N 377.271 4.071 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3c(C)ccnc3[nH]2)cc1 586950074 OPRLLEMLFVAZCZ-UHFFFAOYSA-N 378.457 4.043 0 1 GIAF Clc1cncc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c12 586965387 KCTQDTWVBBBLTL-UHFFFAOYSA-N 396.907 4.421 0 1 GIAF COC(=O)c1ccc2nc(-c3cc(Br)ccc3Cl)[nH]c2c1OC 586980327 PGNPLDXASXSRSZ-UHFFFAOYSA-N 395.640 4.441 0 1 GIAF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c1 587085618 WZQZITYOHAPAQD-UHFFFAOYSA-N 377.835 4.042 0 1 GIAF COc1ccc(NC(C)(C)c2nc3ccc(Br)c(O)c3[nH]2)cc1 587201590 TVHBHUBTSVEVLI-UHFFFAOYSA-N 376.254 4.387 0 1 GIAF COC(=O)[C@@]1(c2c(Cl)ccc(F)c2Cl)CC(=O)c2cc(C)cc(N)c2O1 587382704 TZRLYWAXSOUSFZ-SFHVURJKSA-N 398.217 4.057 0 1 GIAF CCOC(=O)CC[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515300 NINCMQSJXZYMJZ-HSZRJFAPSA-N 379.456 4.164 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC2CCCCC2)(C(=O)O)N1 587829581 RDIAKTUPSDEICS-ZMZPIMSZSA-N 384.289 4.373 0 1 GIAF CCSc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1C 587842384 FGMHBMKPRJCEOM-VFZGTOFNSA-N 384.318 4.057 0 1 GIAF COc1cccc(-c2cc(N[C@H](C)c3cccc(NCC(=O)O)c3)nc(C)n2)c1 653748708 IYRQPINBMQEPEP-CQSZACIVSA-N 392.459 4.130 0 1 GIAF O=C1CC[C@@]2(CCCN(C(=O)Nc3ccc(F)c(Cl)c3)C2)CN1CC1CC1 1911572690 GGJOBXUCBJXUBY-HXUWFJFHSA-N 393.890 4.126 0 1 GIAF CC(C)[C@]12C=C3[C@@H](C[C@H]1OC(C)(C)O2)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@H]1C[C@H]3O 2356490130 XVQABXWHRIIOBL-RWAWGCEUSA-N 392.536 4.141 0 1 GIAF O=C(c1cc2ccccc2[nH]1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 2356608863 WBRTWSCEFCHASR-LBVMUVSTSA-N 375.516 4.203 0 1 GIAF O=C(N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccccc1-c1ncc[nH]1 12434071 NYCKPUDMSFRLND-SFHVURJKSA-N 394.906 4.125 0 3 GIAF COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)N1CCCC1 12480278 ORCIJBRGFRDJEK-DOTOQJQBSA-N 396.512 4.280 0 3 GIAF COc1ccc([C@H]2C=CCN(CC(C)C)CC(=O)N2Cc2ccc(F)cc2)cc1 18090464 FZDZRMOMSMXZRC-HSZRJFAPSA-N 396.506 4.432 0 3 GIAF COc1ccccc1-c1cnc([C@H](O)c2cccc(CN3CCCCC3)c2)[nH]1 61906195 LZPREVNMUQFJSH-JOCHJYFZSA-N 377.488 4.153 0 3 GIAF CCOC(=O)c1cc([C@H]2CCN(C[C@@H](C)CC)C2=S)c(-c2cc(C)no2)[nH]1 1653959 LOBREDKSHZCROZ-GXTWGEPZSA-N 389.521 4.318 0 1 GIAF CCOc1ccc(S(=O)(=O)Nc2nc3c(C)cccc3s2)c2cccnc12 2455785 JEJCQPABAOFWFL-UHFFFAOYSA-N 399.497 4.352 0 1 GIAF CCc1cc([S@@](=O)Cc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C 5887546 MHSAWMMHJUDIJZ-XMMPIXPASA-N 385.272 4.002 0 1 GIAF O=C(O)c1ccccc1C(=O)c1ccc(NCc2ccccc2F)c([N+](=O)[O-])c1 13180181 VBXOLKNYHBAHGL-UHFFFAOYSA-N 394.358 4.275 0 1 GIAF O=C(c1cn(CC(F)(F)F)c2ccccc12)[C@@H]1CS[C@H](c2cccnc2)N1 13737499 DMTZELSHTHNYCO-MAUKXSAKSA-N 391.418 4.185 0 1 GIAF CC1CCC(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)no3)s2)CC1 20580974 NECVLGHEABFJMM-UHFFFAOYSA-N 394.440 4.279 0 1 GIAF Cc1ccc2c(c1C)CN(C(=O)N(C)CCCN(C)C)C[C@H]2c1ccccc1 38156041 RLYICDBCHGJISR-QHCPKHFHSA-N 379.548 4.254 0 1 GIAF CC1(C)[C@H]2CC[C@]1(C)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2 43022621 HWLQRSMZQWZHLO-HRAATJIYSA-N 375.944 4.340 0 1 GIAF Cc1cc(NCc2ccccc2)nc(NC2CCN(Cc3ccccc3)CC2)n1 45389332 ZNAAHNDQIALINQ-UHFFFAOYSA-N 387.531 4.474 0 1 GIAF COc1ccc(-c2c(C)nn3c(N[C@@H](C)c4nc(C)no4)cc(C)nc23)c(C)c1 64235683 OHUCVTVUOWVHLG-AWEZNQCLSA-N 392.463 4.195 0 1 GIAF c1cc(-c2nnc(N3CCC(N4CCCCC4)CC3)s2)c2ccncc2c1 84670288 ZQKNCXGFXAJLKM-UHFFFAOYSA-N 379.533 4.208 0 1 GIAF CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)N[C@@H](C)c4ccccc4)c3)C(=O)[C@@H]2C1 100694600 SZXLBEAQLHMGMU-ZLGUVYLKSA-N 388.467 4.023 0 1 GIAF c1ccc(-c2csc3[nH]nc(N4CC[C@@H](COCCN5CCCC5)C4)c23)cc1 147607166 XGLWIFWMFLHMDS-QGZVFWFLSA-N 396.560 4.230 0 1 GIAF O=Cc1ccc(OCc2occc2-c2nc3ccnc(Br)c3[nH]2)cc1 586901151 PIKBYCPOOXRPBQ-UHFFFAOYSA-N 398.216 4.372 0 1 GIAF Clc1cncc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 586999664 AENCEWHHCWVRGK-OWOJBTEDSA-N 392.640 4.315 0 1 GIAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c[nH]1 587061277 UFUAFXUVZPAYAU-UHFFFAOYSA-N 390.756 4.167 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(OC(C)=O)c1)CC2=O 587476157 DPDSOYALPDDXQM-JOCHJYFZSA-N 384.428 4.159 0 1 GIAF CN1CCCc2cc(C=O)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c21 587515121 QJYZUDRYEJZNSZ-QFIPXVFZSA-N 375.468 4.467 0 1 GIAF CCc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)F)cc1 587648941 DCLJOBVAMXZKPR-UHFFFAOYSA-N 377.412 4.249 0 1 GIAF CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650092 WLBABYQHBNQZAL-UHFFFAOYSA-N 377.849 4.069 0 1 GIAF C[C@@H](Oc1cccc(C(F)(F)F)c1)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651362 IDZSPAZJHLOLKA-SNVBAGLBSA-N 396.752 4.176 0 1 GIAF COc1c(F)ccc(F)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587720518 NDTONWGGBFZEQZ-ZKANADHPSA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(-c3ccccc3)n2)N1 587763805 MRXMOXYKCGOXHX-BUXKBTBVSA-N 386.268 4.398 0 1 GIAF Cc1nc2ccccn2c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587773058 HSIZLPJHSBBMKU-NSPYISDASA-N 388.284 4.342 0 1 GIAF CCOC(=O)[C@@H]1CCCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587799216 RCYQKUBFYCCZDA-PJFSTRORSA-N 398.316 4.461 0 1 GIAF COc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587806178 INLGPMKUQIENMG-YPMLDQLKSA-N 380.257 4.100 0 1 GIAF CCc1ccc2c(c1)[C@@]1(CC(=O)O2)NC2(CC2)Cc2ccc(Br)cc21 961614350 KVDOXLMFYKQQPX-NRFANRHFSA-N 398.300 4.243 0 1 GIAF Cc1sc2c(c1C)CCN[C@H]2C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 963014180 UNGBBLCBRHLKRS-STQMWFEESA-N 378.460 4.397 0 1 GIAF COc1cccc2cc3c(nc12)[C@](CCCC(=O)O)(c1sccc1C)NCC3 963061919 ZJVSJDSNBDPHFZ-JOCHJYFZSA-N 396.512 4.258 0 1 GIAF CC[C@]1(c2ccccc2N)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963184079 PXJBVDTYFGVTIU-SJLPKXTDSA-N 398.812 4.194 0 1 GIAF CCOC(=O)/C=C/c1cc(OC)c(OC)cc1/C=C/c1cccc(OC)c1O 1772627541 AAZKOJOLUDTELY-HULFFUFUSA-N 384.428 4.165 0 1 GIAF Cc1ccc2nc(NC(=O)C3CCCCC3)c(C(=O)NC3CCCCC3)n2c1 1857591033 YWESFXFUPYSSDP-UHFFFAOYSA-N 382.508 4.224 0 1 GIAF O=C1CN(Cc2ccccc2)C(=S)N1c1ccc(C(F)(F)F)c(Cl)c1 1857646154 UZIOCRMJDFAOLR-UHFFFAOYSA-N 384.810 4.493 0 1 GIAF CCOC(=O)c1c(C)oc2ncnc(Nc3cccc(Br)c3)c12 1857768760 WDXUWVVIOXVXOX-UHFFFAOYSA-N 376.210 4.214 0 1 GIAF CC[C@@H](CO)Oc1cc(NC(=O)c2cccc(C)c2)c2ncn(C(C)C)c2c1 61949051 AJZMRXKYPPDCPD-KRWDZBQOSA-N 381.476 4.328 0 3 GIAF COc1cc(Nc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc(OC)c1 5500341 AFBYNDQCDGJGBD-UHFFFAOYSA-N 387.443 4.222 0 1 GIAF CC(C)COc1ccc(C(=O)c2ccc(OCC(C)C)c(CCC(N)=O)c2)cc1 13678374 SFAFIAIUBCBGSG-UHFFFAOYSA-N 397.515 4.405 0 1 GIAF CCCN(CCC)S(=O)(=O)NC(=O)Nc1c(C(C)C)cccc1C(C)C 13747385 RBPVFOGDJGPWDZ-UHFFFAOYSA-N 383.558 4.422 0 1 GIAF O=C1Nc2c(C(F)(F)F)cccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 28884198 DOGXFLMCFMBBGH-UHFFFAOYSA-N 385.341 4.403 0 1 GIAF COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)[C@@H]1O[C@H]3[C@H](C)[C@@H]1C)OCO2 40872975 CYJVZLGKOMMOJB-AKTMJFKJSA-N 398.411 4.226 0 1 GIAF N[C@@H](CCN1CCC[C@H]1c1ccn(-c2ccccc2)n1)Cc1ccccc1F 45245676 ZVPRRHXYXNCDIG-CVDCTZTESA-N 378.495 4.108 0 1 GIAF CC(C)C(=O)Nc1ncc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)s1 72103711 MNUBQWQLHDHILB-IBGZPJMESA-N 387.892 4.070 0 1 GIAF CCOC(=O)c1c(N)nc2c(c1-c1cccnc1)CCc1c-2[nH]c2ccc(C)cc12 73139315 ZDPCDOMEDVBWIS-UHFFFAOYSA-N 398.466 4.458 0 1 GIAF CC(=O)Nc1cccc(Oc2cncc(NC[C@@]3(C)C[C@@H](O)CC(C)(C)C3)n2)c1 82068887 LQLVJCXEJNOANE-JTSKRJEESA-N 398.507 4.217 0 1 GIAF O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CCCCCC[C@H]1O 103205818 POUONQOMARONLW-ZIAGYGMSSA-N 385.835 4.184 0 1 GIAF NC(=O)c1ccc(-c2cc3c(cc2F)[C@@H](c2ccc(Cl)cc2)CNC3)cc1 114516604 BEWPJYFILUTZHB-HXUWFJFHSA-N 380.850 4.480 0 1 GIAF CC(C)(C)c1ccc(NC(=O)c2cc(-c3ccc(NC(=N)N)cc3)on2)cc1 169327284 DUDJKTIWACBYRI-UHFFFAOYSA-N 377.448 4.197 0 1 GIAF Cc1nc(/C=C/[C@@H]2C/C=C/CCC[C@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O2)cs1 169369720 OAXHQZGPHDPLOS-IYDIVFBBSA-N 391.533 4.099 0 1 GIAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(F)c2[nH]1 586935310 DPNJFYFSRNYDLH-OAHLLOKOSA-N 381.860 4.031 0 1 GIAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccccc1F 586988269 HXUIYZIJWZBMFZ-UHFFFAOYSA-N 398.393 4.472 0 1 GIAF O=C1C[C@@H](Cc2nc3cc(Cl)ncc3[nH]2)c2c(Br)cccc2O1 587002978 IRJVNQQRIVTUND-MRVPVSSYSA-N 392.640 4.009 0 1 GIAF CSc1ccc2nc(-c3csc(CNC(=O)OC(C)(C)C)n3)[nH]c2c1 587013902 DKMMELOLQDUCNK-UHFFFAOYSA-N 376.507 4.433 0 1 GIAF Cc1nc2[nH]c(-c3cccc(-c4csc(=N)[nH]4)c3)nc2cc1Br 587021273 KMIZQDHMYGNQMW-UHFFFAOYSA-N 386.278 4.232 0 1 GIAF Oc1c(Br)ccc2nc(-c3ccnc(OCC(F)(F)F)c3)[nH]c12 587091227 HCOCMOFMHDLKHV-UHFFFAOYSA-N 388.143 4.034 0 1 GIAF CC1=C(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[C@@H](C)N2NN=NC2=N1 587105698 FDCNGIPOHJERMU-GFCCVEGCSA-N 380.411 4.123 0 1 GIAF N[C@]1(c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)C[C@H]1c1ccccc1F 587153889 BDHDODJLPLGXCS-BJOHPYRUSA-N 386.299 4.093 0 1 GIAF C[C@]1(c2nc3cc(Br)c(F)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173334 BQYLKWZVAZVJLD-QGZVFWFLSA-N 393.187 4.232 0 1 GIAF N[C@@H](Cc1ccc(I)cc1)c1nc2cccc(Cl)c2[nH]1 587183881 KNOXRZTWFHXSCH-LBPRGKRZSA-N 397.647 4.063 0 1 GIAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccc(Oc3ccccc3)cc2[nH]1 587225710 RTVKJYORTMLCQU-MRXNPFEDSA-N 387.439 4.439 0 1 GIAF COc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1N 587339498 UJHBATWKJXDPRI-OFNKIYASSA-N 393.414 4.396 0 1 GIAF O=C(O)C[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587355288 UFELTAKQKWFTRM-GGAORHGYSA-N 392.382 4.260 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC(C)(C)Cc3[nH]nc(C(F)(F)F)c31)O2 587384288 ZRJSEWREVBAELE-GOSISDBHSA-N 379.382 4.152 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(C)ccc41)[C@@H](C2)C3=O 587446275 BMNLXAXKVMLDOK-NBGIEHNGSA-N 382.415 4.239 0 1 GIAF C[C@@H](Oc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587525234 UCNSEDOOEFSQRN-QKFKETGDSA-N 380.440 4.298 0 1 GIAF Cc1cc(C)cc(OCc2nc3ccc(I)cc3[nH]2)c1 587564001 DTNOXHFUXCOZFI-UHFFFAOYSA-N 378.213 4.363 0 1 GIAF Cc1c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnn1C(C)C 587584288 ZHNQDDZTGIJOOB-SIKLNZKXSA-N 378.428 4.355 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2c1cncnc1 587586610 KVAQFQFYPDTZDF-MONBJTKQSA-N 388.423 4.240 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@@H](c2ccccc2-c2cccnc2)N1)C(F)(F)F 962763330 KDCVDZCFPABQAZ-PMACEKPBSA-N 382.385 4.484 0 1 GIAF CCc1ncc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)s1 962953554 JJFIIFJBDWTHJB-QGZVFWFLSA-N 382.451 4.465 0 1 GIAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3noc4ccc(F)cc34)CC2)CC1 1772583218 VPIBUDXDYGVIBY-RUCARUNLSA-N 387.499 4.231 0 1 GIAF O=C(CCC(=O)c1ccccc1)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1 1772590980 IXDZMSZTKLIRCJ-HXUWFJFHSA-N 382.847 4.484 0 1 GIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3cc(Br)ccc3C2)cc1 1772614024 VAVRQBHWFKIFBZ-CQSZACIVSA-N 387.321 4.205 0 1 GIAF C/C=C/c1ccc(Nc2ncnc3cc(N4CCN(C)CC4)c(F)cc23)cc1 1857556760 TYTWJENBZQITNT-ONEGZZNKSA-N 377.467 4.297 0 1 GIAF CN1C(=O)C(=CNCCCNc2ccnc3cc(Cl)ccc23)c2ccccc21 1857622515 YQLAWAQPXJDHTO-UHFFFAOYSA-N 392.890 4.297 0 1 GIAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N1CCOCC1 4216531 VJEUMXHRVYKLRF-RBUKOAKNSA-N 396.890 4.352 0 1 GIAF CCCCNC(=O)[C@H]1CCCN(Cc2nc(-c3ccc(CC)cc3)oc2C)C1 5056141 SHFLUKCHRLYLOA-FQEVSTJZSA-N 383.536 4.341 0 1 GIAF CCONC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)NOCC)cc3)o2)cc1 6385478 ONCFTTNZEWQYPY-UHFFFAOYSA-N 392.459 4.347 0 1 GIAF Cc1ccc2nc(N3CCC(N[C@H](C)Cc4cccs4)CC3)nc(C)c2c1 12097148 FJKZOYWUOWSTCH-MRXNPFEDSA-N 380.561 4.498 0 1 GIAF CCCCc1nc(CO)c(Cl)n1Cc1ccc(-c2cccnc2C(=O)O)cc1 13739757 OIMOOFOVKYCILE-UHFFFAOYSA-N 399.878 4.180 0 1 GIAF COc1cccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCC[C@H]4[C@H]3C2=O)c1 16958491 OHMBYDILZVAUPW-NBJYBMASSA-N 386.451 4.347 0 1 GIAF CCCCc1ccnc(NC(=O)C2(C[C@@H](CCOC)C(=O)O)CCCC2)c1 28642406 LZQQBLZDXZIRRO-QGZVFWFLSA-N 376.497 4.051 0 1 GIAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1NCc1ccncc1 28957112 OTNWILINSOEKBG-UHFFFAOYSA-N 388.349 4.240 0 1 GIAF Cc1ncccc1Oc1ccc(NS(=O)(=O)c2coc3ccccc23)cn1 40935743 YNMHXEXSPRJVOI-UHFFFAOYSA-N 381.413 4.124 0 1 GIAF C[C@@H]1[C@@H](c2cccc(Cl)c2)OCC(C)(C)N1C(=O)CCN1CCCCC1 45209727 KLWRRDGRZPNIEA-UZLBHIALSA-N 378.944 4.283 0 1 GIAF Clc1ccc(-c2nnc(SCc3cn(Cc4ccccc4)nn3)o2)cc1 95872105 UXDQHYZEBDZLND-UHFFFAOYSA-N 383.864 4.322 0 1 GIAF Cc1ccc2c(c1)CCCN2C(=O)c1cnn2c1NC(=C1CC1)C=C2C(F)F 102961580 MNMLBKPEQUVIMJ-UHFFFAOYSA-N 382.414 4.364 0 1 GIAF COP(=O)(OC)[C@@H](OC(=O)COc1ccc(F)cc1F)c1ccccc1 103215546 WTDIDDAKYSOMGQ-QGZVFWFLSA-N 386.287 4.072 0 1 GIAF COC(=O)Sc1nc2cc(N3C(=O)C4=C(CCCC4)C3=O)c(F)cc2s1 103216733 OWTQXMUEIJBJFG-UHFFFAOYSA-N 392.433 4.038 0 1 GIAF Cc1ccc(C)c(N2CCN(C(=O)c3oc(C)nc3-c3cccc(F)c3)CC2)c1 103291400 MKVRABUKTOTAIA-UHFFFAOYSA-N 393.462 4.368 0 1 GIAF CC(=O)N[C@@H](C)CCc1ccc(C2CN(c3cccc(C(F)(F)F)n3)C2)cc1 149959593 ZUUIBDOTBNKIRF-AWEZNQCLSA-N 391.437 4.161 0 1 GIAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2cccc(OC)c2)cc1 169350700 WZOWKFNPGXEKBJ-UDBVQLGBSA-N 389.495 4.401 0 1 GIAF C[C@@H]1CN=C(c2ccc(-c3ccc(-c4ccc(C5=NC[C@@H](C)N5)cc4)o3)cc2)N1 196125365 SKVJKTUZAHUVPO-HZPDHXFCSA-N 384.483 4.090 0 1 GIAF CCCCC(C)(C)[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 253685853 MZFSUBMVKUYQSC-VEPCIZJRSA-N 392.536 4.102 0 1 GIAF O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCc2cc(F)ccc21 299823286 UHIVPOKBHAUXRM-UHFFFAOYSA-N 384.432 4.110 0 1 GIAF O=[S@@](CCCc1nc2cncc(Cl)c2[nH]1)c1ccc(Br)cc1 586958537 FZVIBNQMEBIFFH-QFIPXVFZSA-N 398.713 4.114 0 1 GIAF N[C@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(Br)cc1 586996346 FUHYLQWINBLWEK-SNVBAGLBSA-N 386.080 4.270 0 1 GIAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587109683 SAQMZRFSFWIBLD-UHFFFAOYSA-N 386.232 4.268 0 1 GIAF CN(C)CCOc1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1 587161326 PLJCCJMNMPONTK-UHFFFAOYSA-N 378.245 4.072 0 1 GIAF COc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1Cl 587167770 CVGLAJFNKZOBBX-UHFFFAOYSA-N 383.814 4.489 0 1 GIAF C[C@@]1(c2nc3cc(Br)cc(F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587173704 HCYIHIGOMKXHND-KRWDZBQOSA-N 393.187 4.232 0 1 GIAF CNc1cccc2c1[C@]1(CC(=O)c3cc(C)cc(N)c3O1)c1ccccc1C2=O 587385696 DXZQXSNYRWZVIC-DEOSSOPVSA-N 384.435 4.072 0 1 GIAF COc1cc2c3c(c1)O[C@@H](CCc1ccc(F)c(OC(F)F)c1)[C@@H](C2)C3=O 587420787 HJGDUZBETUHICJ-HIFRSBDPSA-N 378.346 4.185 0 1 GIAF C=CN1CC[C@H]([C@@]2(c3ccccc3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587474740 JHYUCTHUAPXDNV-CYFREDJKSA-N 391.467 4.197 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nccn1Cc1ccccc1 587575651 GELUPFGFMSLCMN-NZQKXSOJSA-N 398.418 4.340 0 1 GIAF CCn1ncc([C@]2(C(C)C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587583150 TWURWLIDTQCCBI-OFNKIYASSA-N 392.455 4.430 0 1 GIAF COc1cc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587597504 ZBSFTKVSGUSDSN-OFNKIYASSA-N 392.407 4.069 0 1 GIAF COc1cccc2c1C[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599356 FPIVMXXJAWDQIQ-ZJSXRUAMSA-N 388.419 4.290 0 1 GIAF C[C@]12CC(=O)C[C@@]1(C)C[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600894 BWQKPZMEIVXVLJ-QQUTXWOLSA-N 378.424 4.262 0 1 GIAF CCN(CC)c1ccc(-c2nn(CC(F)(F)F)c(=O)c3ccccc23)c(O)c1 587665772 QBPCFPIVFAAJMY-UHFFFAOYSA-N 391.393 4.178 0 1 GIAF Cc1[nH]c(C(=O)O)c(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587790067 GQUNZIIJVPWCST-ASCAZGACSA-N 395.272 4.029 0 1 GIAF CCOC(=O)C[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587796365 JWDZBLHEGYOKQE-ZMZPIMSZSA-N 386.305 4.317 0 1 GIAF CCC[C@]1([C@@H](CC)C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587807563 LUWZLTDYPPGISS-SUFBMKPHSA-N 386.305 4.317 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)OCCCO3)N1 587833930 ITLAAHJKKCPJAQ-WYRIXSBYSA-N 392.268 4.373 0 1 GIAF CO[C@H](C)COC1CCC(c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC1 587951844 IZEPANKTZSBKRJ-XNWIYYODSA-N 392.809 4.054 0 1 GIAF C[C@@H]1c2ccccc2C(=O)N1c1ccc(NC(=O)c2ncccc2N)cc1Cl 653845108 QBPZOMXQDOXIOW-GFCCVEGCSA-N 392.846 4.291 0 1 GIAF C[C@H](Nc1ccncn1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 653899359 GKRKBAUXKMGSPH-ZDUSSCGKSA-N 377.835 4.002 0 1 GIAF COc1ccc(-n2nnc3c4nc(-c5ccccc5OC)ccc4c(C)nc32)cc1 1857586892 ZAHQKQTZBCEYHU-UHFFFAOYSA-N 397.438 4.356 0 1 GIAF COc1cc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)ccc1O 4921827 MEYDOQMZZMBIBB-UHFFFAOYSA-N 375.384 4.188 0 1 GIAF CC(C)(C)c1ccc(-c2nnc(-c3ccc(CN4CC(C(=O)O)C4)cc3)o2)cc1 13673876 CCKXTEGCXIXMQR-UHFFFAOYSA-N 391.471 4.218 0 1 GIAF COc1cccc(/C(=C\OCCN2CCC[C@@H](C(=O)O)C2)c2ccccc2C)c1 27085576 BSTRVAQRQCTWFC-YYTOJMEDSA-N 395.499 4.206 0 1 GIAF CCCN(CCC)C(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1 28527918 FCHCWEHSMBSMEN-UHFFFAOYSA-N 383.279 4.231 0 1 GIAF CC(C)N1CCN(C(=O)c2ccc3scc(CN4CCCCC4)c3c2)CC1 64528299 IWCHGRVBHMGDLZ-UHFFFAOYSA-N 385.577 4.053 0 1 GIAF Fc1cccc(CNc2ncnc3c2nc(C2CC2)n3CCc2ccccn2)c1 82184713 MLBRQIPRFQFMLX-UHFFFAOYSA-N 388.450 4.093 0 1 GIAF COc1ccc(Cn2[nH]c(COc3cc(Cl)cc(Cl)c3)cc2=O)cc1 95552938 OBSHCYGHNPUPRP-UHFFFAOYSA-N 379.243 4.119 0 1 GIAF CCOC(=O)c1c(O[C@H]2CCCC[C@@H]2C)cc(CCc2ccccc2)[nH]c1=O 95586511 IJPVBUQUHPMPMK-LPHOPBHVSA-N 383.488 4.294 0 1 GIAF COc1cccc(-c2cccc(S(=O)(=O)N(C)c3cccc(OC)c3)c2)c1 96935506 FRINQDZEYLJNHP-UHFFFAOYSA-N 383.469 4.196 0 1 GIAF O=C(Nc1cc[nH]c(=O)c1)c1cc(OC(F)(F)F)ccc1Oc1ccccc1 143155790 TTXHVPIJWCJKLK-UHFFFAOYSA-N 390.317 4.318 0 1 GIAF Cc1c(-c2ccc3cc(NC(=O)[C@@H]4C[C@@H]4F)ncc3c2)cnc(C(C)(C)O)c1F 144397284 UYLZQXPYPSAXRX-WBVHZDCISA-N 397.425 4.268 0 1 GIAF Cc1c(C2CC2)nc2ccc(-n3ccc(OCc4ccsc4)cc3=O)cn12 223419274 VGYNMKFQIYMUTO-UHFFFAOYSA-N 377.469 4.312 0 1 GIAF COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c2c1C=CC(C)(C)O2 238738144 NKUFAETXNXSTOV-UHFFFAOYSA-N 378.380 4.382 0 1 GIAF CC(C)[C@@]12C[C@@H](O)[C@@](C)(O1)[C@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C\c1ccccc1 238787666 VWHNJBKOOIZSEF-ZKQVTFLKSA-N 384.516 4.222 0 1 GIAF Cc1nc(/C=C/[C@@H]2CC=CCCC[C@H](C)C(=O)[C@H](C)[C@@H](O)CC(=O)O2)cs1 299806983 OAXHQZGPHDPLOS-KNTISMLHSA-N 391.533 4.099 0 1 GIAF O=[S@](CCCc1nc2cncc(Cl)c2[nH]1)c1ccc(Br)cc1 586958536 FZVIBNQMEBIFFH-JOCHJYFZSA-N 398.713 4.114 0 1 GIAF CCc1ccc(-c2nc3ccc(S(=O)(=O)CC)cc3[nH]2)cc1Br 586978012 WKQIJAHZSYKKER-UHFFFAOYSA-N 393.306 4.348 0 1 GIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(Cl)c2[nH]1 586985317 UOHONUBOWDYZBE-HNNXBMFYSA-N 392.684 4.399 0 1 GIAF Cc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587027930 UMPKERBKRFFIQR-NJAFHUGGSA-N 380.517 4.403 0 1 GIAF CCS(=O)(=O)c1ccc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c1 587033576 XQGCHRPROVRGSQ-UHFFFAOYSA-N 397.525 4.364 0 1 GIAF O=C(Cc1ccc(Cl)cc1)c1nc2cc(I)ccc2[nH]1 587070774 HRPAHWKAURZOPH-UHFFFAOYSA-N 396.615 4.246 0 1 GIAF C[C@H](c1nc2cnc(Cl)[nH]c-2n1)n1nc(C(F)F)c(Cl)c1C(F)F 587129465 LBXKKBBBEMKJNF-GSVOUGTGSA-N 383.136 4.292 0 1 GIAF O=C(/C=C\c1nc2cc(Br)c(F)c(F)c2[nH]1)Nc1ccc(F)cc1 587166677 GAOQHLNYLVTTKO-WAYWQWQTSA-N 396.166 4.395 0 1 GIAF Cc1nc2[nH]c(-c3ccc(NC(=O)C(C)(C)C)nc3)nc2cc1Br 587246678 FAOITXBXUKFVGJ-UHFFFAOYSA-N 388.269 4.075 0 1 GIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587336855 KQTJILCSUHBFGX-IFMALSPDSA-N 379.387 4.209 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1coc4cc(C)c(Cl)cc4c1=O)[C@@H](C2)C3=O 587418320 ADJCLGCNEKPKFD-YEJXKQKISA-N 382.799 4.252 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc4ccc(SC)cc4nc1O)[C@@H](C2)C3=O 587451023 IBNYUPMNLBITLW-XOBRGWDASA-N 379.437 4.160 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CC1OCCO1)(c1cccc(F)c1)CC2=O 587468658 WJYUMOQALNMLRB-JOCHJYFZSA-N 386.419 4.108 0 1 GIAF C=CN1CCCC[C@H]([C@]2(C3CC3)CC(=O)c3ccc(O)c(CCC)c3O2)C1=O 587475887 QRHHQSOOEJHBTK-FDDCHVKYSA-N 383.488 4.231 0 1 GIAF C[C@]1(c2ccc(OCCC(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522418 LSOWZGUVFXUQGD-HSZRJFAPSA-N 380.440 4.300 0 1 GIAF COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(O)c1Cl 587548516 WWKHTJRDJKRCFG-IERDGZPVSA-N 398.798 4.463 0 1 GIAF O=C(O)CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601377 DABZTYQLYOUOCW-NFBKMPQASA-N 390.391 4.112 0 1 GIAF O=C(O)/C=C/c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601620 DZMQSDDLRFCOBH-UZYWOGEQSA-N 388.375 4.193 0 1 GIAF COC(=O)c1csc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587610792 DXTGPDHJVRRNGT-UTKZUKDTSA-N 396.420 4.117 0 1 GIAF COc1c(F)ccc(F)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587716723 DRMBNQUXJDYPNE-PWJLMRLQSA-N 386.211 4.499 0 1 GIAF COC(=O)c1ccnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 587785212 YTWDCBAAAVYQJR-XFXZXTDPSA-N 385.423 4.494 0 1 GIAF CCOc1ccc(C(=O)[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587799012 AAGFLNHSVGWELV-ADLMAVQZSA-N 392.268 4.445 0 1 GIAF C[C@H](CCC(=O)O)Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587963452 WTKJZOOYTLOYIS-SSDOTTSWSA-N 395.175 4.267 0 1 GIAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](Cc2ccccc2)(C2CC2)N1 962967410 NCXQYBJXARPDQO-JXFKEZNVSA-N 377.818 4.065 0 1 GIAF CNc1cc(Oc2ccc(NC(=O)Nc3ccc(OC)cc3)c(C)c2)ncn1 1772634529 HCUFYQJNOZITEY-UHFFFAOYSA-N 379.420 4.272 0 1 GIAF CC1(C)CCC[C@@]2(C)[C@H]1[C@@H](OC(=O)C=Cc1ccccc1)C=C1CO[C@H](O)[C@@H]12 2356623676 JVIVBUUWKBUORJ-RFFFMIPGSA-N 382.500 4.349 0 1 GIAF O=C(NC[C@@H]1CCCN(Cc2ccccc2F)C1)c1cccc(C(F)(F)F)c1 12387102 DOYFKNLJAZNGFT-HNNXBMFYSA-N 394.412 4.487 0 3 GIAF C[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)[C@H](c1ccccc1)N1CCOCC1 25330255 FPKAXAANJAYIHC-FTWXPCQCSA-N 386.580 4.417 0 3 GIAF CC1CCC2(CC1)CCN(CCCOC(=O)NCc1ccc(Cl)cc1)C2=O 96019352 YGTPVRFQJQCVCI-UHFFFAOYSA-N 392.927 4.385 0 3 GIAF Cc1cc(C)cc(NC(=O)CN2C(=O)c3ccccc3Sc3ncccc32)c1 6797025 LSNBSZHYTKARBT-UHFFFAOYSA-N 389.480 4.449 0 1 GIAF CC1(C)N=C(N)N=C(N)N1c1cccc(COc2cccc(-c3ccccc3)c2)c1 13740734 ZDWRGSYMUVYIQJ-UHFFFAOYSA-N 399.498 4.118 0 1 GIAF O=C(O)C1=CCCN(CCOC=C(c2cccc(F)c2)c2cccc(F)c2)C1 13800102 LEAWWAFUHHVKLO-UHFFFAOYSA-N 385.410 4.087 0 1 GIAF COc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCCC3)n2)cc1OC 28528753 WOBIYGLPXLXUBD-UHFFFAOYSA-N 377.444 4.134 0 1 GIAF COc1cc(C)c2c(c1C)[C@H](O)[C@@H]([C@@H](C)C(=O)N(C)Cc1ccccc1)CC2 33910892 FHRKBQPOQZAXGE-AYPBNUJASA-N 381.516 4.203 0 1 GIAF biogenic COCCCCn1cnc2cc(NCc3ccc(Cl)c(Cl)c3)[nH]c(=O)c21 38477942 QEECDRFWMATILQ-UHFFFAOYSA-N 395.290 4.070 0 1 GIAF O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O[C@H]3CCCCO3)ccc12 45315695 CWAZAGRXMZZYNQ-NRFANRHFSA-N 380.396 4.137 0 1 GIAF NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H](c1ccccc1)c1ccccn1 66076844 XIZQCMFNLKHXPC-DEOSSOPVSA-N 385.515 4.288 0 1 GIAF NC1CCC(Nc2nccc3[nH]c(-c4cccc(OC(F)(F)F)c4)nc23)CC1 82082389 WXIFVHHYKJUQRM-UHFFFAOYSA-N 391.397 4.205 0 1 GIAF CCOC(=O)c1cc(-c2ccc(Cl)s2)nc2c1cnn2Cc1ccncc1 95584707 WNMAZPWVDNSXCI-UHFFFAOYSA-N 398.875 4.433 0 1 GIAF O=C(O)[C@@H]1[C@H](Cc2c[nH]c3ccccc23)CCN1C(=O)c1ccc2ccccc2c1 103255428 KJXIJMCTHOJNEM-MBSDFSHPSA-N 398.462 4.479 0 1 GIAF COc1ccc(Oc2ccc(Cl)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1F 143186330 AQMSMCUTJNXRFL-UHFFFAOYSA-N 388.782 4.221 0 1 GIAF Cn1c(=O)ccc2c(NC(=O)N[C@@H]3CC(C)(C)Oc4ccc(F)cc43)cccc21 143341847 CUICKZFQDWHHCO-QGZVFWFLSA-N 395.434 4.102 0 1 GIAF COC(=O)[C@@]1(Cc2ccccc2)CC(=O)O[C@]1(C)c1cccc(C(F)(F)F)c1 203532628 RAJHCZJZFCFJMA-WOJBJXKFSA-N 392.373 4.270 0 1 GIAF O=c1sc2ccccc2n1CCCCCN1CCN(c2ccccc2)CC1 299823175 CZTGCNQPXZGIIE-UHFFFAOYSA-N 381.545 4.056 0 1 GIAF O=S(=O)(c1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1)C(F)(F)F 586888153 WRGKWJOMKKWZII-KDOFPFPSSA-N 392.402 4.228 0 1 GIAF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(Cl)ncc3[nH]2)cc1 586949429 WFHTXPYFTMXGHO-UHFFFAOYSA-N 398.875 4.388 0 1 GIAF CC(=O)N[C@H](Cc1nc2cccc(Cl)c2[nH]1)c1ccc(Br)cc1 586985535 NWGNIPVVPAZJLU-OAHLLOKOSA-N 392.684 4.399 0 1 GIAF N=C(N)Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586987898 UPTPONYGEWQVOJ-UHFFFAOYSA-N 380.407 4.124 0 1 GIAF Clc1c(Br)cnc2[nH]c(C[C@@H]3OCCc4ccsc43)nc12 587036852 OJWIXFNZDGEOSZ-VIFPVBQESA-N 384.686 4.292 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(C)cc(C)c3[nH]2)cc1 587042238 KNUKJQYLVMDEBZ-SFHVURJKSA-N 381.501 4.466 0 1 GIAF CC(C)(C)OC(=O)N1C[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)C(F)(F)C1 587132297 PQWLKQSJKJOQBP-SSDOTTSWSA-N 393.221 4.234 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587161802 DOJRGRQAOJKKKG-SJORKVTESA-N 387.480 4.004 0 1 GIAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccc(C(=O)O)c2[nH]1 587191355 UBGRJOPJBNNNGW-QGZVFWFLSA-N 381.432 4.217 0 1 GIAF CCOC(=O)[C@@H](C(C)C)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587401762 XWOJYSOIMVPMGZ-OFNKIYASSA-N 381.472 4.273 0 1 GIAF COc1cc2c3c(c1)O[C@](COCC(F)(F)F)(c1ccc(C)cc1)[C@@H](C2)C3=O 587422881 VQEQNNTVKQVRRE-OXJNMPFZSA-N 392.373 4.225 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(N4CCCCC4)c(F)c1)[C@@H](C2)C3=O 587426710 PHWKYXLTRJBTQQ-GAJHUEQPSA-N 381.447 4.487 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCC(O)CC3)s1)CC2=O 587493413 GXGSJQXDNGWREL-SFHVURJKSA-N 387.501 4.074 0 1 GIAF Cc1ccc([C@@]2(CCn3cncn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587517111 HDOONGCVIDKXOC-XMMPIXPASA-N 387.483 4.416 0 1 GIAF CC(C)C[C@H](CN(C)C)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587572525 PQUONEIQNFAXGN-NIJIEXERSA-N 383.488 4.336 0 1 GIAF CC(C)(O)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611766 UBHCRHYSKBHYTC-WMZHIEFXSA-N 376.408 4.020 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2=COCC2)(C(F)(F)F)N1 587710244 QVYCLCDVGCZKEN-CLAHSXSESA-N 380.179 4.184 0 1 GIAF Cc1ccnc2c1c([C@@H]1N[C@@H](C)Cc3cc(Br)c(F)cc31)cn2C 587754946 FXFUFHZZJDXSCK-BBATYDOGSA-N 388.284 4.407 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2nn(C)c3ccccc23)N1 587766770 XBZBNYILRFRUPG-NSPYISDASA-N 388.284 4.273 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(O)c3ccccc23)N1 587775681 TYQSXZOFUJAPML-MGNBDDOMSA-N 387.252 4.466 0 1 GIAF CCOC(=O)C[C@@]1(C2CCC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799228 RHCVECBAOLKDJN-VOJFVSQTSA-N 384.289 4.071 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CCC(=O)[C@@]3(C)CC2)N1 587819872 WWIBUNIVRHWJRW-BKOMCJNNSA-N 378.285 4.407 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(OC)c(F)c1 587870677 GKELTTGKSBSXAF-UHFFFAOYSA-N 389.427 4.481 0 1 GIAF CCOC(=O)[C@@H]1CC[C@@]2(C=C1C)c1ccsc1CCN2Cc1cccnc1 963000319 VGLVHHBAGLABLN-XMSQKQJNSA-N 382.529 4.316 0 1 GIAF COc1c(C)c2c(c(O)c1CC=C(C)CCC=C(C)CCC(=O)O)C(=O)OC2 2356711198 NEGCNVRPGPHOAR-UHFFFAOYSA-N 388.460 4.460 0 1 GIAF O=C(N[C@@H]1CCCC[C@H]1O)c1c(-c2ccccc2F)noc1-c1ccccc1 774927 LIEZNINCWXVADD-QZTJIDSGSA-N 380.419 4.181 0 1 GIAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@H]1CCCC[C@@H]1O 775485 RLXLABMXFXLVQQ-HOTGVXAUSA-N 386.492 4.071 0 1 GIAF Cc1sc(C(=O)Nc2ccccc2)c2c1C(=O)N[C@@](C)(c1cccs1)N2 2501965 SMPJIVOFJQVTAG-IBGZPJMESA-N 383.498 4.399 0 1 GIAF CCCCCCC1=NOC[C@]1(C)C(=O)NCc1ccccc1Br 4214797 NSTNWCSKAVDCNP-SFHVURJKSA-N 381.314 4.428 0 1 GIAF CCCCN(C)C(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1c[nH]c2ccccc12 6819378 JWMXCRRJJAIFDN-YADHBBJMSA-N 389.499 4.337 0 1 GIAF COc1ccc2c(C)nc(N3CCC(NC[C@H](C)c4ccccc4)CC3)nc2c1 12037853 IKWDFJRPUYUTSO-KRWDZBQOSA-N 390.531 4.309 0 1 GIAF COc1ccc(S(=O)(=O)Oc2ccccc2NC(=O)Oc2ccccc2)cc1 29405252 RTSUORUFTXXHIW-UHFFFAOYSA-N 399.424 4.074 0 1 GIAF C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C=C1C[C@H]3O 33820813 HCXLGXVBNGIUAC-YCBRVCGJSA-N 390.564 4.398 0 1 GIAF biogenic CC(C)(C)n1ncc(SCc2nnc(-c3ccc(F)cc3)o2)c(Cl)c1=O 34608821 NSXSPVQCNUSZSM-UHFFFAOYSA-N 394.859 4.133 0 1 GIAF Cn1c(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)nc2ccccc2c1=O 36408490 HXXOPBABZWRPHK-JOCHJYFZSA-N 380.451 4.289 0 1 GIAF CCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)C[C@@H](C)c2c1[nH]c1ccccc21 40835870 MVYSSTPZWAVKFN-CQSZACIVSA-N 392.430 4.471 0 1 GIAF CCCCCn1c(=O)c(C(=O)O)c(O)c2cc(Cc3ccc(F)cc3)ccc21 40867320 OKEFQLWBQZIUAU-UHFFFAOYSA-N 383.419 4.325 0 1 GIAF COc1ccc(NC(=O)[C@H](C)Nc2cc(C)nc(NCC3CCCCC3)n2)cc1 45229384 OJCWRANTSZJZGN-INIZCTEOSA-N 397.523 4.225 0 1 GIAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1 82132551 NZPKXGCJRFDWHL-YLJYHZDGSA-N 378.520 4.442 0 1 GIAF c1ccc(-c2nc3c(NCc4cccs4)ncnc3n2C[C@H]2CCCO2)cc1 82189989 PIMDJMICDOYAHJ-MRXNPFEDSA-N 391.500 4.346 0 1 GIAF O=C(O)CSc1nnc(-c2ccc(O)cc2)n1-c1ccc(Cl)c(Cl)c1 96273181 ZGNMNPREZMHJOX-UHFFFAOYSA-N 396.255 4.123 0 1 GIAF CN1[C@@H]2CC[C@@H]1[C@@H]1COC(=O)CCCCCCC(=O)Nc3ccc(cc3)[C@@H]1C2 101093946 QLPRIWAESOJKJS-PLACYPQZSA-N 384.520 4.089 0 1 GIAF COc1cc(OC)c2c(=O)cc(/C=C/c3cc(OC)c(OC)c(OC)c3)oc2c1 103171692 ACGICTMYLZBHBQ-VOTSOKGWSA-N 398.411 4.006 0 1 GIAF COc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c2c1OC(C)(C)CC2 103188279 WKRMCULZWUPGIH-UHFFFAOYSA-N 380.396 4.301 0 1 GIAF Oc1c2nc3ccccc3c-2ncn1CCN1CCC(Cc2ccccc2)CC1 103591553 XZZDFVGPCCYULZ-UHFFFAOYSA-N 386.499 4.196 0 1 GIAF COc1cncc(Cl)c1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)CN2C 141513227 OQAQRRFSDZRMCK-YOMPXFNTSA-N 399.922 4.089 0 1 GIAF CC1(C)C[C@H]1COc1ccc(C(F)(F)F)cc1C(=O)Nc1cc[nH]c(=O)c1 143183945 ICXCKCQKMZSVBF-LBPRGKRZSA-N 380.366 4.071 0 1 GIAF CCC(=O)N[C@@H]1CCCc2c1cncc2N1C(=O)c2ccc(Cl)cc2[C@H]1C 224484626 YAUDVUAWFKWKAO-KZULUSFZSA-N 383.879 4.360 0 1 GIAF COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(CC=C(C)C)c3O[C@@H]1CO2 238774671 JPCIZGFTOQPFOD-KSFYIVLOSA-N 382.456 4.398 0 1 GIAF CCC(=O)Oc1ccc([C@H]2CC(=O)c3ccc(OC)cc3O2)cc1OC(=O)CC 299864110 LYJRTOMIVYVZHY-GOSISDBHSA-N 398.411 4.033 0 1 GIAF Cc1oc2c(c1-c1nc3cc(Br)cc(C(=O)O)c3[nH]1)C(=O)CCC2 586904776 ZOZFBVIPAQKZTK-UHFFFAOYSA-N 389.205 4.111 0 1 GIAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 586940569 AILSCAODQCQKAL-VOTSOKGWSA-N 396.299 4.268 0 1 GIAF Clc1ccc(OCc2nc3cc4c(cc3[nH]2)OCO4)c(Br)c1 586975390 FOXRIQWSDRXTHJ-UHFFFAOYSA-N 381.613 4.287 0 1 GIAF O=C1C[C@H](Cc2nc3cc(F)c(F)cc3[nH]2)c2c(Br)cccc2O1 587003727 NLCPGZZWBAHMBJ-QMMMGPOBSA-N 393.187 4.239 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(Cl)c(C)c4[nH]3)cc12 587037521 JRDUGAMAYXJJFN-JTQLQIEISA-N 387.896 4.272 0 1 GIAF CCOC(=O)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3C(F)(F)F)nc2c1 587093472 NCMJUHNBYDCROM-YUMQZZPRSA-N 377.160 4.168 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3)[nH]c2c1 587161800 DOJRGRQAOJKKKG-IAGOWNOFSA-N 387.480 4.004 0 1 GIAF Nc1ccc(-c2ccc3nc(-c4cc(F)nc(N5CCCC5)c4)[nH]c3c2)cc1N 587177542 MFCWTFYOFFSHNF-UHFFFAOYSA-N 388.450 4.196 0 1 GIAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 587241733 HVOWXTJGPPCNNT-UHFFFAOYSA-N 388.269 4.109 0 1 GIAF Cn1ccc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342928 QSCQIJHRRKJHSD-GGAORHGYSA-N 377.415 4.461 0 1 GIAF Cc1noc([C@@H]2CCC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)n1 587347094 OGFXWTICTBTDGS-KPLVRAHFSA-N 394.402 4.288 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1cnn(-c4cccc(Cl)c4)c1)[C@@H](C2)C3=O 587419810 MBEOQSURXPIBJV-LAUBAEHRSA-N 380.831 4.197 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3cc(C(=O)O)ccc13)CC2=O 587482575 JNFFXVKHWRUZDJ-JOCHJYFZSA-N 379.412 4.405 0 1 GIAF C[C@]1(c2ccc3[nH]c(O)cc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587592524 YZQUBUDICZQINP-NZQKXSOJSA-N 387.391 4.456 0 1 GIAF CCOc1ccc(C(=O)[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587800012 DMAHDFRTSFTDDD-VOJFVSQTSA-N 392.268 4.445 0 1 GIAF CCOC(=O)C[C@@]1(CC(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587800440 XDHXEFAWEDDHSZ-KPZWWZAWSA-N 386.305 4.317 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587823721 VUBWUZOVDXWTPY-PAHLKRHSSA-N 382.317 4.135 0 1 GIAF Cc1cc(C(=O)O)sc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587845758 SCFNERBFBQXLAR-XLKFXECMSA-N 384.270 4.280 0 1 GIAF COc1cc(OC)c([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)cc1C=O 653853921 FTDBOLLTHMBBDD-INIZCTEOSA-N 380.440 4.419 0 1 GIAF Clc1cnc2c(c1)[C@]1(CCO2)NC2(CC2)Cc2ccc(Br)cc21 961615576 PWAZQQDPFHIWHF-GOSISDBHSA-N 391.696 4.202 0 1 GIAF COc1ccc(-n2ncc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)c2C)cc1 963093678 ANWMQQRIOBVJBS-WMZHIEFXSA-N 377.463 4.438 0 1 GIAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@H](c2scnc2Cl)N1 963169115 HALVUOYPJVOENV-UWVGGRQHSA-N 397.205 4.157 0 1 GIAF c1ccc(Nc2nc(NCC3CCOCC3)nc(Nc3ccccc3)n2)cc1 1772592263 DLFPYVRXWIFOEL-UHFFFAOYSA-N 376.464 4.197 0 1 GIAF O=C1NC(=O)[C@H](Cc2ccc(OCCOc3cccc4ccccc34)cc2)S1 1857752582 OCBQVPREWFRAOB-FQEVSTJZSA-N 393.464 4.192 0 1 GIAF COc1ccc(OC)c([C@H](O)c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)c1 61905164 GEPSUUJJHQJWBE-KRWDZBQOSA-N 378.350 4.194 0 3 GIAF C[C@]12C[C@H]([C@H](O)C(F)(F)F)C(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]12 253650669 HTYHKJJOVXZDHV-ORXCKCAUSA-N 388.470 4.108 0 3 GIAF O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CNC1CCCCC1 13529306 TUMXELFPWCWNDA-OAQYLSRUSA-N 381.516 4.164 0 1 GIAF CO/N=C/C=C/[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 13808992 MRNITUAYDRGKCQ-RGBJVUNTSA-N 375.553 4.310 0 1 GIAF COc1cc(OC)c(-c2coc3c4c(ccc3c2=O)O[C@@H]2[C@H]4C2(C)C)cc1OC 14691106 GUBOZMSGAMLXPU-SIKLNZKXSA-N 394.423 4.370 0 1 GIAF biogenic COc1cc2c(cc1OC)C(=O)[C@@H](Oc1ccc([C@H](C)N3CCCC3)cc1)C2 28344353 NHEKQZLGKSZIOS-NYHFZMIOSA-N 381.472 4.047 0 1 GIAF O=C(O)[C@@H]1COc2cc3nc(-c4cccs4)c(-c4cccs4)nc3cc2O1 28474118 GPBNOEVRRDJTGH-AWEZNQCLSA-N 396.449 4.311 0 1 GIAF COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccc(O)cc3)cc1)CC2 29064317 LYPDNXWQAHHSHJ-UHFFFAOYSA-N 389.451 4.275 0 1 GIAF CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C 31516542 QMJBXYCYYGJONN-MABFXCQNSA-N 385.592 4.349 0 1 GIAF CCCC[C@](C)(O)C/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCCC(=O)OC 38447293 VHQLQBCLSFZTMN-YTEVLBQOSA-N 396.568 4.344 0 1 GIAF Cc1nc(/C=C/[C@@H]2C/C=C\CCC[C@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O2)cs1 40862724 OAXHQZGPHDPLOS-OZOFGDBDSA-N 391.533 4.099 0 1 GIAF O=C(NCC1CC1)c1cnc(NCC2CCCCC2)nc1-c1ccccc1F 82151333 MYSIRSKLXGBRQO-UHFFFAOYSA-N 382.483 4.415 0 1 GIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cccc(N(C)C)c3)cc2)C[C@H]2CC[C@H]1N2C 101062024 GLJUXNMBHHRFQA-KAOXLYBCSA-N 378.516 4.159 0 1 GIAF O=C(c1cccnc1Oc1ccc(Nc2ccccn2)cc1)N1CCSC1 139348256 MXBCYVAFJBFGKW-UHFFFAOYSA-N 378.457 4.159 0 1 GIAF CSc1nn(-c2ccccc2)c2cc(NC(=O)C3(C)CCNCC3)ccc12 169706048 YRFKIEKGLNBGFX-UHFFFAOYSA-N 380.517 4.076 0 1 GIAF CC[C@H]([C@H](C)O)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 299810862 PMNPDZIPKKSQML-KNXBSLHKSA-N 387.955 4.038 0 1 GIAF CN(Cc1ccc(Cl)cc1)C(=O)[C@@]1(C)CCN1C(=O)c1coc2ccccc12 299840333 VAMRYDATCZUWRJ-JOCHJYFZSA-N 396.874 4.349 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587007023 WOMIYTGFSPOTHQ-UHFFFAOYSA-N 398.260 4.351 0 1 GIAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(O)nc(S)nc4[nH]3)c2)c1 587048466 BMTDGFRQECLNSC-UHFFFAOYSA-N 382.832 4.147 0 1 GIAF CC(=O)Nc1ccc(Cl)c(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587048807 AQBIGVGXIURAHX-UHFFFAOYSA-N 390.152 4.256 0 1 GIAF COc1ccc(-c2nnc(-c3ccc4nc(-c5cncc(F)c5)[nH]c4c3)o2)cc1 587176732 FDVVJMBPSJECLN-UHFFFAOYSA-N 387.374 4.490 0 1 GIAF O=C(O)c1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587185234 ZUHRJIDMJXMZNH-DAXSKMNVSA-N 390.180 4.036 0 1 GIAF COC(=O)c1ccc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2n1 587196480 XCJZFMSTXFZRLU-UHFFFAOYSA-N 396.447 4.091 0 1 GIAF O=C1c2ccc(O)cc2O[C@@](C(=O)O)(c2ccccc2F)[C@@H]1c1ccc(F)cc1 587338410 XCTUAIHHLUEDTL-KNQAVFIVSA-N 396.345 4.009 0 1 GIAF CCOC(=O)[C@@H]1[C@H](C)CC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351458 UUGBNHJSPRNXSP-QVMKDYSVSA-N 398.430 4.238 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(C1CCOCC1)[C@@H](C2)C3=O 587422995 SBDGKXQTDPVYKT-PGRDOPGGSA-N 384.859 4.418 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4c(C)noc4C)cc1)[C@@H](C2)C3=O 587437274 XDWWLMPUDXXBRE-FDDCHVKYSA-N 391.423 4.368 0 1 GIAF COc1cccc(-c2ncc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)s2)c1 587453198 VSPIZPHCFICYDD-QRWLVFNGSA-N 379.437 4.316 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1csc(-c4ccccc4OC)n1)[C@@H](C2)C3=O 587453786 ZCLAGAYWNKQMRJ-XOBRGWDASA-N 379.437 4.316 0 1 GIAF CCCOc1cc2c(cc1[C@H]1Oc3cc(OC)cc4c3C(=O)[C@H]1C4)O[C@H](C)C2 587455108 ITWBWGVKNGRZBD-XPEUBABHSA-N 380.440 4.296 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H]2CC[C@H]1N2C(=O)OC(C)(C)C 587485543 ICNKYDSKWPJVKH-CYYCYGDNSA-N 387.476 4.221 0 1 GIAF CS(=O)(=O)c1cccc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587530203 FFFALKSBWDSBBE-KRWDZBQOSA-N 390.888 4.329 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1ccncn1 587586960 MGVUSLVQIWLJOK-URXFXBBRSA-N 396.402 4.088 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(N2CCCC2)nc1 587591937 GNXFTOKCZDHJTQ-NZQKXSOJSA-N 388.423 4.090 0 1 GIAF COc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587593284 LCRFFKYKWVJENT-NFBKMPQASA-N 392.407 4.286 0 1 GIAF CS(=O)(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2ccc(F)c(Cl)c12 587629563 BMLIBJIKOSJMHU-UHFFFAOYSA-N 392.761 4.445 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(O)c3ccccc23)N1 587771068 BEPPRHKEIDLICQ-MLCYQJTMSA-N 387.252 4.466 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ncccn2)N1 587776855 YQGKLIOPTJQTNQ-XCLFUZPHSA-N 398.279 4.204 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3SCCS[C@@H]32)N1 587855915 KPIVITAWXKAFBO-RCYILOBPSA-N 388.371 4.329 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(SC)cc1 587869972 RHVFANLSYDHVHJ-UHFFFAOYSA-N 393.390 4.383 0 1 GIAF CO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 621475388 ZUCQEZHTPVDQNI-LAFOYAEKSA-N 398.484 4.080 0 1 GIAF C[C@]1(c2ccsc2C(=O)O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962722129 YVKPHAXJLOFHQN-CWTRNNRKSA-N 377.506 4.213 0 1 GIAF CCC[C@@]1(c2ccccn2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963170600 BHOWVFZZUDQPHK-ACJLOTCBSA-N 398.812 4.396 0 1 GIAF COc1cccn(CC(=O)NCCc2ccc(-c3ccccc3)cc2)c1=S 1857574225 DHHBMHIBSJVIFD-UHFFFAOYSA-N 378.497 4.252 0 1 GIAF Oc1ccc(C2CCN(c3ccn4c(CC5CC5)nnc4c3Cl)CC2)cc1 1911583398 QYXZTBGZHFSRNA-UHFFFAOYSA-N 382.895 4.425 0 1 GIAF CC(=O)O[C@@H]1c2c(C)coc2C(=O)[C@@H]2[C@H](OC(=O)C=C(C)C)CC[C@@H](C)[C@@]12C 2356673016 FKWPXFLCFKOLLW-DTFXXTBESA-N 388.460 4.319 0 1 GIAF O=C(Nc1ncc(Br)s1)[C@@H](Cc1ccccc1)n1cccc1 5055339 PTAKBWDNPCFDBB-CYBMUJFWSA-N 376.279 4.130 0 3 GIAF aggregator O=C(N[C@@H]1CCc2ccccc21)c1cc(COc2ccc(F)cc2Cl)on1 11998716 ONZNGESFGLSZCW-QGZVFWFLSA-N 386.810 4.463 0 3 GIAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2N 61946518 ZEIZSQCNCGCUKC-TVSPITPHSA-N 389.536 4.053 0 3 GIAF Cc1ccccc1C1=NO[C@H]2CN(C(=O)c3ccc(Cl)cc3Cl)C[C@H]12 205220579 IXRCQDFDYUVICB-RDJZCZTQSA-N 375.255 4.177 0 3 GIAF COCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 4050050 OHTIECZQUVGPNK-FYYLOGMGSA-N 388.467 4.084 0 1 GIAF Cc1ccnc(N2CCN(CCCc3c(C)n4c5c(cccc35)CCC4)CC2)c1 13740410 MUNMBNYJRZFZFJ-UHFFFAOYSA-N 388.559 4.354 0 1 GIAF O=C(c1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2c(C2CCCCC2)ccc1=O 25434048 FQXGGEGCBXLPNL-XLIONFOSSA-N 376.500 4.156 0 1 GIAF biogenic COC(=O)[C@@H]1CCC[C@@H](Nc2[nH]nc3cccc(OCc4ccccc4)c23)C1 26728021 OLWDKMYRCUIZFF-IAGOWNOFSA-N 379.460 4.286 0 1 GIAF CCOC(=O)CSc1nc(Cc2cccc3ccccc23)c(C(C)C)c(=O)[nH]1 26937978 RZYXAHOAPDKQOC-UHFFFAOYSA-N 396.512 4.293 0 1 GIAF CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@H]4[C@H]3CC[C@@H]12 34801201 RIGMJQYSJWLGJZ-MCWCVRKFSA-N 386.580 4.157 0 1 GIAF N[C@H](COc1cncc(-c2ccc3nnccc3c2)c1)Cc1c[nH]c2ccccc12 38459828 CGUVHVMACLRYNH-FQEVSTJZSA-N 395.466 4.122 0 1 GIAF CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-n2cccc2)c1C 66259705 GJCHIBBCHWAZCB-UHFFFAOYSA-N 377.275 4.418 0 1 GIAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)NCC2CCCCC2)C(C)C)co1 82070010 OCVCQYYBEPECMT-HXUWFJFHSA-N 397.519 4.101 0 1 GIAF C[C@H]1C[C@@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccc(F)cc3)n2)C1 82139997 XFKWRFMRTXDNBP-IYBDPMFKSA-N 382.483 4.001 0 1 GIAF O=C(NCC1CC1)c1cnc(NCc2ccccc2)nc1-c1ccc(F)cc1 82140202 XIIGQESGAHEVHZ-UHFFFAOYSA-N 376.435 4.035 0 1 GIAF O=C1c2cnn(C3CCCCCC3)c2CCCN1C1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 95591213 WMVRFCCRSLJNEF-CWQVDPKMSA-N 397.563 4.106 0 1 GIAF c1cc(-c2nc(N3CCOCC3)c3c4c(sc3n2)CCCCCC4)ccn1 96903267 HCPHVVKRMYRMBI-UHFFFAOYSA-N 380.517 4.249 0 1 GIAF COc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)c2cccc(F)c2)C3)cc1 102882707 UMBQJQJQLFTHQN-NHCUHLMSSA-N 382.479 4.150 0 1 GIAF Cc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2CC2CCCCC2)cc1 169355924 XPINCFKWHIFHMC-VXNXHJTFSA-N 394.563 4.393 0 1 GIAF Cc1cccc(OCc2cn(CCNc3ccnc4cc(Cl)ccc34)nn2)c1 199101237 YVEFPEZLQOMBDG-UHFFFAOYSA-N 393.878 4.479 0 1 GIAF CCCCCNC(=O)NCCCC/C=C\CCCCCCCc1nn[nH]n1 203755378 LOJLTEHTZDYFMI-VURMDHGXSA-N 378.565 4.299 0 1 GIAF CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)[nH]o1 473108284 LXUTZJRSRMFOBA-UHFFFAOYSA-N 375.432 4.353 0 1 GIAF O=C(O)c1ccccc1/C=C/c1nc2cccc(I)c2[nH]1 586881601 XPKZJLYSOUQLBO-CMDGGOBGSA-N 390.180 4.036 0 1 GIAF N[C@@H](Cc1cccc(Br)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586985096 YWRJXCNATAJDIQ-JTQLQIEISA-N 386.080 4.270 0 1 GIAF CCOC(=O)[C@H]1C[C@@H](C)Cc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992115 NWVOFVZGEZKBMQ-LRDDRELGSA-N 387.435 4.381 0 1 GIAF FC(F)(F)c1cnc2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 587008619 ZLCDAVLWVVVBDC-UHFFFAOYSA-N 382.143 4.054 0 1 GIAF Cc1cncc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c12 587026939 NSBOSVWGLVOAIR-NXHRZFHOSA-N 380.517 4.403 0 1 GIAF Cc1cc(-c2nc3cnncc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587061083 JHPGAAITOREODK-UHFFFAOYSA-N 389.850 4.083 0 1 GIAF Fc1cnc(Cl)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 587077019 QUYVSRCVZSVTPV-UHFFFAOYSA-N 378.194 4.239 0 1 GIAF FC(F)(F)CSc1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)ccn1 587090860 AISAXUPFDQCTQK-UHFFFAOYSA-N 379.289 4.040 0 1 GIAF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(F)cnc4[nH]3)cc2)cc1F 587147050 CLQLPHSTGJSDOO-UHFFFAOYSA-N 392.409 4.244 0 1 GIAF CCCCOc1cc2nc(Cc3cccnc3N)[nH]c2cc1Br 587254157 HTLBTEYVQPNSMI-UHFFFAOYSA-N 375.270 4.072 0 1 GIAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587376587 JNHGJWLZVKOSLU-SFHVURJKSA-N 376.250 4.229 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN(C(=O)OC(C)(C)C)[C@H](C(C)C)C1)O2 587396531 UHIMNKWEYSTNBI-HTAPYJJXSA-N 388.508 4.337 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(Cc3ccccc3N(C(N)=O)c3ccccc31)O2 587400912 RPVZZGLYKKCKHN-XMMPIXPASA-N 399.450 4.211 0 1 GIAF COc1ccccc1OCc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)o1 587412090 LWJFSBJEOOEJHV-OAQYLSRUSA-N 379.412 4.464 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1c(F)ccc(F)c12 587568313 HMXIHAUEFJJEST-SIKLNZKXSA-N 380.346 4.474 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cn2ccnc2)cc1 587576018 HMVPTDYBDUFFLX-XUZZJYLKSA-N 398.418 4.340 0 1 GIAF CC(C)[C@]1(c2ccccc2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587576935 IXGSWPQTULYQNV-NZQKXSOJSA-N 375.424 4.488 0 1 GIAF CCc1cc(OC)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587592199 JBUURNCIMYUYDY-XXBNENTESA-N 392.407 4.372 0 1 GIAF COc1cc(F)c(F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587722722 ZROBIYAJDIXOKA-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2oc3cccnc3c2N)N1 587748683 XSTOVXTUNVMRAN-LZVRBXCZSA-N 390.256 4.109 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(-n3cccn3)c2)N1 587761147 SNVDAGKHDRKAHE-BLVKFPJESA-N 386.268 4.398 0 1 GIAF Cc1[nH]c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1C(=O)O 587789434 DDHXPPVKEHYVJS-ASCAZGACSA-N 395.272 4.029 0 1 GIAF C=C1C=C(C)n2ncc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2N1 587796139 PJQLMTFIAYGZBG-BTDLBPIBSA-N 389.272 4.208 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)CNCC3)N1 587797408 SITIMBVRZYPNQW-MPBGBICISA-N 389.312 4.032 0 1 GIAF CCOC(=O)c1nn(-c2ccc(C)cc2)cc1[C@H]1NCCc2ccc(F)c(C)c21 962295538 DYKPLWIPLCZURA-OAQYLSRUSA-N 393.462 4.040 0 1 GIAF O=C(Cn1cc(Cn2c3ccccc3c3ccccc32)nn1)c1ccc(F)cc1 1857535083 UFIPFOIIGWBJLJ-UHFFFAOYSA-N 384.414 4.456 0 1 GIAF OC[C@@]1(Cc2cccc(Cl)c2)CCCN(Cc2cnn(-c3ccccc3)c2)C1 11707401 HJLUCSJJDBIYDX-HSZRJFAPSA-N 395.934 4.343 0 3 GIAF CCOP(=O)(OCC)[C@@](C)(CC)NC(=O)C(C(F)(F)F)C(F)(F)F 1643722 AXLQQLMINZHZAL-JTQLQIEISA-N 387.257 4.236 0 1 GIAF CN1[C@@H]2CC[C@@H]1CC(CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C2 1660270 MHCSKANEQAAFNH-NHCUHLMSSA-N 384.470 4.433 0 1 GIAF Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)Cc1ccc(F)cc1)CC(=O)N2 2723618 OTKZXAMSKKMBJT-DEOSSOPVSA-N 388.442 4.247 0 1 GIAF CCCCNC(=O)[C@@H]1C(c2ccccc2OCC)=NO[C@H]1c1ccccc1OC 4153242 AXAKMPSWSCCBBB-IRLDBZIGSA-N 396.487 4.102 0 1 GIAF Cc1ccc2cc3cc(C(=O)N4CCN(C5CCCCC5)CC4)oc3nc2c1 4906771 HJXBESHZDFWJDI-UHFFFAOYSA-N 377.488 4.380 0 1 GIAF Cc1ccc(-n2c(SCc3cccc(F)c3)nc3[nH]ncc3c2=O)cc1C 5156383 GULGRFMVMBPJBW-UHFFFAOYSA-N 380.448 4.157 0 1 GIAF O[C@H]1C[C@H](C(c2ccccc2)c2ccccc2)OC[C@@H]1NCc1ccc(F)cc1 13648533 FLDLQCILZSMNPF-KMDXXIMOSA-N 391.486 4.266 0 1 GIAF COc1cc(C(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)ccc1O 14956452 YEQVRBJRNFLOQJ-BAMDZGJYSA-N 388.504 4.470 0 1 GIAF biogenic,in-vitro CC1=C(C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)[C@@H]2Nc3ccccc3N(C)[C@@H]2O1 17224100 DZCIUYJBFWBQJD-PDYMYPGMSA-N 382.504 4.305 0 1 GIAF COc1cccc(-c2ccccc2)c1OCCNC[C@H]1COc2ccccc2O1 40568111 JVQZYMVBXVUIPJ-IBGZPJMESA-N 391.467 4.171 0 1 GIAF COc1ccc([C@H]2CC3(N(C)C)CC(=O)C2[C@H](c2ccc(OC)cc2)C3)cc1 40576572 WBXYNNSCFVZSCS-MNZGCLKASA-N 379.500 4.254 0 1 GIAF O=C(NC1CCCCC1)c1cc2ccc(OCc3ccccc3)cc2oc1=O 40893775 KSVJRMDHPQQMRA-UHFFFAOYSA-N 377.440 4.435 0 1 GIAF OC[C@@H]1[C@@H](c2ccccc2)C2(CN(Cc3cccc(F)c3)C2)N1CC1CCCC1 95665029 XOTUVBHLFPVTRV-DNQXCXABSA-N 394.534 4.031 0 1 GIAF C[C@H]1CCCN1[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3N(C)C)cc2)C1 96929235 SMGGVEANRVALLD-GHTZIAJQSA-N 392.547 4.068 0 1 GIAF CCCCCNC(=O)c1nc(C)c(C)nc1C(=O)Nc1cc(Cl)ccc1C 103169457 UCJHJMOGJXJPJY-UHFFFAOYSA-N 388.899 4.228 0 1 GIAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586963237 YPUJBXHVPYDLJJ-YFKPBYRVSA-N 389.790 4.166 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2F)c1 587144407 VTGUJCIOWZHYPM-UHFFFAOYSA-N 398.781 4.138 0 1 GIAF COC(=O)c1ccnc2nc(-c3ccc(F)cc3-c3ccc(C=O)cc3)[nH]c12 587157759 FYHZDBCVQDPEOC-UHFFFAOYSA-N 375.359 4.030 0 1 GIAF O=S(=O)(c1ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3)[nH]c2c1)C(F)(F)F 587161672 PDMBDYPNPWEVTB-QWHCGFSZSA-N 384.354 4.267 0 1 GIAF COc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1N 587336709 OFNPKULKXFIKJG-JTHBVZDNSA-N 393.414 4.396 0 1 GIAF Cc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)C(=O)N2 587349373 PSLHTDFWNCCELN-NFBKMPQASA-N 389.382 4.046 0 1 GIAF COc1cc2c3c(c1)O[C@]1([C@H]4C[C@H]5C[C@@H]1C[C@@](Br)(C5)C4)[C@@H](C2)C3=O 587412523 IQWJPMJKBLTXHA-ZFSQADPSSA-N 389.289 4.155 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc4cc(OC)ccc4nc1Cl)[C@@H](C2)C3=O 587421339 PCMRVZXHZOSVMQ-XOBRGWDASA-N 381.815 4.394 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4[nH]nc(C(F)(F)F)c41)[C@@H](C2)C3=O 587423867 VVQPIHCDLKQWLT-JEOXALJRSA-N 392.377 4.052 0 1 GIAF COc1cc2c3c(c1)O[C@@](CCC(C)=O)(c1ccc(SC)cc1)[C@@H](C2)C3=O 587449876 FFWSDVUKUMGRMJ-AVRDEDQJSA-N 382.481 4.429 0 1 GIAF CCCc1c(O)ccc2c1O[C@](CCC(=O)OC)(c1ccc(F)cc1)CC2=O 587469439 ZTSIQQFRYGUYPV-QFIPXVFZSA-N 386.419 4.298 0 1 GIAF O=C1C[C@@](CO)(c2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587506461 YFTNJYDJGYNMDB-HXUWFJFHSA-N 387.273 4.181 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cncc(Br)c1 587539948 GLZOEEYACUJSOP-QFBILLFUSA-N 398.212 4.253 0 1 GIAF Cc1c(C(F)(F)F)n[nH]c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587552989 CTOLXVGRXCPSNY-GUYCJALGSA-N 390.317 4.145 0 1 GIAF COc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587570041 UICIPZZUOJFDMT-KNQAVFIVSA-N 380.371 4.417 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-n2ccnc2)c1 587574785 BZNBXCUQERAQEQ-OFNKIYASSA-N 384.391 4.281 0 1 GIAF Cc1c(C)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1O 587607851 IPYBSGCDLRBGMZ-JPYJTQIMSA-N 392.407 4.432 0 1 GIAF COC(=O)c1csc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587610790 DXTGPDHJVRRNGT-LAUBAEHRSA-N 396.420 4.117 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc(N2CCCC2)s1 587615058 VGDOBLSWNGWNOE-XLIONFOSSA-N 394.452 4.152 0 1 GIAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Br)cc(F)cc3[nH]2)cc1 587784188 FEGPQYOFHXGIEZ-STQMWFEESA-N 389.224 4.408 0 1 GIAF CCC[C@]1(c2c[nH]c(C(=O)O)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587795941 YWORPTGUVJCJFJ-MLCYQJTMSA-N 395.272 4.192 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2cccc(C=O)c2)N1 587796778 VGGWIWBCVSHZLP-BUXKBTBVSA-N 392.268 4.229 0 1 GIAF COc1ccc(O)cc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587805326 FXOUCBNNRDCBKW-MLCYQJTMSA-N 380.257 4.100 0 1 GIAF COc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1 587805710 HGVGHPUCZUFUED-WLRWDXFRSA-N 394.284 4.403 0 1 GIAF CC(=O)Oc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587807502 DDCSWEXFSANBOS-JEOXALJRSA-N 392.268 4.311 0 1 GIAF COC(=O)CC[C@@]1(c2ccccc2N)NCCc2cc(-c3ccccc3)ccc21 962673296 YFBLDAANFOJUEX-RUZDIDTESA-N 386.495 4.278 0 1 GIAF C[C@]1(c2ccccc2OCc2ccccc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962904079 NIHWDNGJGBGLOC-URXFXBBRSA-N 391.442 4.267 0 1 GIAF COc1ccccc1CC[C@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1 1911573879 QCMHGCDOZLWPOT-VVMVZBAXSA-N 379.544 4.390 0 1 GIAF COc1ccc(OC)c(C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CC[C@@H](O)[C@]3(C)O)c1 2356805167 VEVBGIXZPCUVGB-WQAPEFCFSA-N 376.537 4.211 0 1 GIAF CCCN1CCC(=O)N([C@H](CSc2ccc(OC)cc2)c2ccccc2)CC1 13661780 LTPMNMDUGIXHAK-JOCHJYFZSA-N 398.572 4.473 0 3 GIAF CCc1nc2c(OCc3ccc(C(F)(F)F)cc3)cccn2c1N(C)C(C)=O 61895587 FKCMZKMLPBIOIC-UHFFFAOYSA-N 391.393 4.477 0 3 GIAF CCOC(=O)[C@H](c1nc2ccccc2[nH]1)n1c(-c2ccccn2)nc2ccccc21 95570928 VQQRWDLEBHTACO-FQEVSTJZSA-N 397.438 4.127 0 3 GIAF CCCCc1nnc(C2CCN(c3ccccn3)CC2)n1Cc1ccccc1 3949331 IVIVLUOFVMHHJB-UHFFFAOYSA-N 375.520 4.448 0 1 GIAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1C[C@@H]1c1ccccc1 13679934 KEBJTPRYSCTYBB-PKTZIBPZSA-N 388.555 4.276 0 1 GIAF COc1ccc(C(=O)O)cc1NC(=O)CC(=O)c1ccc(-c2ccccc2)cc1 28022934 LHOLBCUUIWNQOM-UHFFFAOYSA-N 389.407 4.272 0 1 GIAF CCCN[P@@](=O)(OC)[C@H](NC(=O)OCc1ccccc1)c1ccccc1 40395739 CNEWOAMXZLQZFA-QYBDOPJKSA-N 376.393 4.451 0 1 GIAF Cc1cccc2c1CC[C@@]21CCc2c(C(=O)N(C)C)cn3c(C)c(C)nc3c2O1 40420210 FNMFHHBMZSWLCP-XMMPIXPASA-N 389.499 4.128 0 1 GIAF Cc1cc(Oc2cccc(O[C@H]3CNC[C@H]3Cc3cccc(N)n3)c2)ccc1F 58583186 UMNBPZTVSUHLQZ-ZHRRBRCNSA-N 393.462 4.113 0 1 GIAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3c([nH]c2c1)C[C@@H]1CC[C@H]3N1 68249134 DOUMNJOBZGMSMH-LAUBAEHRSA-N 397.478 4.247 0 1 GIAF Fc1cccc(CNc2ncnc3c2nc(-c2ccoc2)n3C[C@H]2CCCO2)c1 82181501 LTAHFLPNGUMFSU-QGZVFWFLSA-N 393.422 4.017 0 1 GIAF COc1ccc(CNC[C@H](C)[C@H]2CCC3=Cc4c(cc(C)oc4=O)O[C@H]3C2)cc1 95554111 ZWILVXIZHVDAFA-VPKVUBIPSA-N 395.499 4.327 0 1 GIAF CCCC[C@H](C)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5c4[C@@]12CCN[C@@H]3C5 95554285 YMMSTFUUPZBVDO-WKUDJTRWSA-N 395.543 4.097 0 1 GIAF Cc1cc(C)nc(NC(=S)N2CCN(Cc3cccc4ccccc34)CC2)c1 95569620 ACBVDXJTFPILEW-UHFFFAOYSA-N 390.556 4.366 0 1 GIAF CC(C)(C)c1cc(N2CCC(O)=NC2=O)cc(C(=O)Nc2ccccc2)c1O 96926926 OIYITWKGBSBCHW-UHFFFAOYSA-N 381.432 4.229 0 1 GIAF CC(=O)Nc1cccc(OCc2cc(=O)oc3ccc(Br)cc23)c1 103201531 QTSCWTNKBZECLL-UHFFFAOYSA-N 388.217 4.093 0 1 GIAF O=C1CCCCCC[C@@H]1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F 103204520 SUGFBGNWYQBKTQ-AWEZNQCLSA-N 383.819 4.392 0 1 GIAF COc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1 103250947 UGWRGIQZGCREDV-UHFFFAOYSA-N 377.425 4.370 0 1 GIAF Nc1nccc(-c2cn(Cc3ccccc3)c3ccc(Br)cc23)n1 137956876 XUSZCDVUQFNGFD-UHFFFAOYSA-N 379.261 4.491 0 1 GIAF Cc1cncc(C2=CC[C@H]3[C@@H]4CC[C@@H]5N(C)C(=O)COC[C@]5(C)[C@H]4CC[C@]23C)c1 147988995 ZTTAZFNCICHQHY-GXPRYNMSSA-N 394.559 4.483 0 1 GIAF Cc1cc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 169301296 AEONKHQDKWWIPC-XUJOWKJQSA-N 381.564 4.433 0 1 GIAF CC(=O)CC[C@@H]1[C@H]2[C@@H](O)[C@H](C(C)C)[C@@H](OC(=O)/C=C/c3ccccc3)C[C@]12C 195370950 MZRGOEIFXVZAOF-UDQDTGFCSA-N 384.516 4.270 0 1 GIAF O=C(Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)Nc1ccccc1 586986936 HQWAIFRJRWGIPG-UHFFFAOYSA-N 380.403 4.333 0 1 GIAF Clc1c(Br)cnc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc12 587016426 LKKPDWUDHIVHNP-QMMMGPOBSA-N 385.674 4.349 0 1 GIAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(CC)cc3[nH]2)cc1 587041603 ZYDXQIVXHKQYPV-IBGZPJMESA-N 381.501 4.412 0 1 GIAF COc1cc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2cc1Cl 587061236 SDOZTIYNUVKXFB-UHFFFAOYSA-N 386.242 4.415 0 1 GIAF COc1cc(Cl)ccc1-c1nc2ccc(I)cc2[nH]1 587066778 RMSJTODOYTUUFG-UHFFFAOYSA-N 384.604 4.497 0 1 GIAF CC1=C(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[C@@H](C)n2ncnc2N1C 587107405 RICVZNUOFJCARQ-CQSZACIVSA-N 393.450 4.480 0 1 GIAF Cc1ccc([C@]2([C@H](C)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587350534 GWKASFPDQNWAKI-AMOXOZGRSA-N 392.426 4.475 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCC[C@@H](C(=O)O)CC2)[C@@H]1c1ccc(F)cc1 587355491 VDJVTHKKNOFMMT-JSVDNDDVSA-N 384.403 4.294 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ncccc1Br 587537721 AVJHOVZNKICYND-KXBFYZLASA-N 398.212 4.253 0 1 GIAF COc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587559590 XRAZZRQKNXRJIN-SIKLNZKXSA-N 380.371 4.417 0 1 GIAF COc1cccc2c1C[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599352 FPIVMXXJAWDQIQ-URXFXBBRSA-N 388.419 4.290 0 1 GIAF CC[C@]1(c2ccc3c(c2)OCO3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608035 JBJDADJNEJOIDN-NZQKXSOJSA-N 390.391 4.388 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Br)c[nH]2)N1 587685582 RPHNIMNWURCWDA-UOWDBTKRSA-N 388.078 4.302 0 1 GIAF CC(=O)C[C@@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587727340 OEICIUXOGGEFII-WLRWDXFRSA-N 394.259 4.484 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3c(cnn3C)cc2F)N1 587729291 GSNLIHGVYHPNRZ-LZVRBXCZSA-N 392.247 4.238 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCOc3c(F)cccc32)N1 587737169 CXNUOSCPLFCAEW-MLCYQJTMSA-N 380.232 4.288 0 1 GIAF COc1ccc2nc(Cl)c(Cn3nnnc3CSc3ccccc3)cc2c1 1772648867 WNWUEGWKXFGHMJ-UHFFFAOYSA-N 397.891 4.224 0 1 GIAF NC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1Cl)C(=O)c1ccccc1 1772649754 XOCUQKNJEGWLLD-HXUWFJFHSA-N 378.859 4.209 0 1 GIAF CC(=O)Nc1cc(-c2cccc(N)c2)cn2c(-c3ccc(C(C)=O)cc3)cnc12 61906136 BVZATLAVNSPBQP-UHFFFAOYSA-N 384.439 4.412 0 3 GIAF COc1ccc(CNC(=O)c2oc3cc4sc(N(C)C)nc4cc3c2C)cc1 6804665 ONAFNKWAYOXHHX-UHFFFAOYSA-N 395.484 4.356 0 1 GIAF Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)Cc4cccc(F)c4)c3)cc12 14961610 IYNPKFVIAKOXIB-IBGZPJMESA-N 376.435 4.021 0 1 GIAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccncc1 26576890 XDRWPNFSYGIPSG-ODUYVQIQSA-N 392.455 4.420 0 1 GIAF O=C1NCCN1CCN1CCC(c2c(-c3ccccc3)[nH]c3ccccc23)CC1 26644338 YPEDAOFPNYLNPM-UHFFFAOYSA-N 388.515 4.040 0 1 GIAF Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1cc[n+]([O-])cc1 26993393 UFPVWVQJFTZOEP-UHFFFAOYSA-N 381.476 4.180 0 1 GIAF CC(C)=CCC/C(C)=C\CC(CC=C(C)C)(P(=O)(O)O)P(=O)(O)O 29123708 FNYHAYNWVHCDNF-GDNBJRDFSA-N 380.358 4.477 0 1 GIAF O=C(CSc1nnc(COc2cccc3cccnc23)o1)c1cccs1 36756077 NMQBKBBJXHHFSW-UHFFFAOYSA-N 383.454 4.233 0 1 GIAF C[C@]1(c2cccc(Nc3cc(F)cc4cc(Cl)cnc34)c2)COCC(N)=N1 143132122 WWCXRNBXEBTLSG-HXUWFJFHSA-N 384.842 4.374 0 1 GIAF O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2F)C1 143684804 ZQUQFQGNDHGASO-UHFFFAOYSA-N 384.234 4.228 0 1 GIAF CN(C)CCc1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1F 164890173 QTBDIELUWFNQIF-UHFFFAOYSA-N 382.460 4.359 0 1 GIAF CCCc1cc(OC)c(Oc2cc(CCCO)cc(OC)c2O)c(OC)c1 238766506 SAGIQTCWCKNJPN-UHFFFAOYSA-N 376.449 4.088 0 1 GIAF COc1cc(O)c([C@H](CC(=O)N2C[C@@H](C)C[C@H](C)C2)c2ccccc2)c(OC)c1 299847162 XYQSATKYRXNKIT-ABSDTBQOSA-N 397.515 4.436 0 1 GIAF Cc1ccc(NC(=O)CSCCc2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 586970110 GEWAWFRCPXMUMF-UHFFFAOYSA-N 395.315 4.488 0 1 GIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(N)c(N)cc2[nH]1 587034461 NFBGFMNEHTZWHO-AWEZNQCLSA-N 379.489 4.213 0 1 GIAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2cc(F)cc(Br)c2[nH]1 587052423 SPSOILCZDZPMEF-LLVKDONJSA-N 384.636 4.066 0 1 GIAF FC(Br)(Br)c1nc2cc(Cl)c(Cl)nc2[nH]1 587089034 WHARZGZGPJHAEO-UHFFFAOYSA-N 377.826 4.134 0 1 GIAF Cn1nc(-c2nc3ccncc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587130761 PYHPHQYGRFGJSU-UHFFFAOYSA-N 392.369 4.175 0 1 GIAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587167485 OERWNARIHOBHDV-CYBMUJFWSA-N 378.329 4.488 0 1 GIAF Fc1cc2c(c(Cc3nc4ccc(Br)c(F)c4[nH]3)c1)OCOC2 587171704 RINXIMPTESMZQY-UHFFFAOYSA-N 381.176 4.061 0 1 GIAF COc1cc(OC)c2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2c1 587172763 LNCSINFZUVSKFI-UHFFFAOYSA-N 397.381 4.175 0 1 GIAF CCOC(=O)CCC[C@@]1(c2ccc(F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587384748 OGZYZOCIZALBCS-QFIPXVFZSA-N 385.435 4.310 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1ccc(Br)c(F)c1F)[C@@H](C2)C3=O 587424869 WRNPGGWCKSWCFP-DYZYQPBXSA-N 381.172 4.225 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCCCN(C)C)CC2=O 587469701 OTNANCQQVWAHCQ-QFIPXVFZSA-N 383.488 4.382 0 1 GIAF CC(C)(C)OC(=O)N=c1cc[nH]cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514946 YOWFYPJKQUHGLT-HXUWFJFHSA-N 394.471 4.436 0 1 GIAF COc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1O 587553414 ARZHPHUVHHLIAS-UGKGYDQZSA-N 396.370 4.123 0 1 GIAF CC(C)N(C)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cn1 587570011 HUVSJYQLFNIFPI-OFNKIYASSA-N 390.439 4.335 0 1 GIAF CC(C)n1ncc2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582043 NHWSIPOCIWTIAR-NZQKXSOJSA-N 390.439 4.363 0 1 GIAF CCCn1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587583012 SSIISAGHFMPEET-DENIHFKCSA-N 378.428 4.184 0 1 GIAF CC(C)C[C@]1([C@H]2CCCNC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595813 ONJCDJOBIQVASI-ITSWEJNFSA-N 381.472 4.138 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1OCCCO2 587607093 FYOXLRAROSLHDW-AUSIDOKSSA-N 390.391 4.256 0 1 GIAF Cc1c(C)c(O)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1O 587607862 IPYBSGCDLRBGMZ-WZONZLPQSA-N 392.407 4.432 0 1 GIAF CSc1ccc(C(=O)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587613861 PMGWBAXTFWZSFA-GCJKJVERSA-N 392.432 4.327 0 1 GIAF Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2C(=O)C(F)(F)F)cc1 587649596 QNXLHGBUCAEMLO-UHFFFAOYSA-N 381.375 4.292 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc(Cl)cc2)N1 587695503 BMTJADQGBLSCEK-HUTHGQBESA-N 398.659 4.104 0 1 GIAF COc1ccc(C=O)c(-c2nc3c(C)cc(Br)cc3[nH]2)c1OC 587786632 MSCPDWPSYKNZQY-UHFFFAOYSA-N 375.222 4.131 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O)N1 587823724 VUBWUZOVDXWTPY-ZKGRTRQMSA-N 382.317 4.135 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3nccs3)CC2)N1 587854223 QPZXSACKAHBVEJ-NSHDSACASA-N 396.329 4.075 0 1 GIAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)N1CCCC1 587858828 BSRQPIZCVTZNBQ-LBPRGKRZSA-N 382.291 4.380 0 1 GIAF CC(=O)Oc1ccccc1[C@]1(C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962694919 FLGRGNBVDIFEQV-ZHRRBRCNSA-N 385.504 4.378 0 1 GIAF CCC1([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)CCOCC1 963181282 MRMYSJILJFSNCP-LSDHHAIUSA-N 391.817 4.206 0 1 GIAF CCOc1ccc(Cl)cc1[C@@]1(C)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963219769 IFSSRRLJUDFZOX-SIKLNZKXSA-N 396.874 4.149 0 1 GIAF CCCOc1cc2c(cc1[C@@H]1N[C@H](C)Cc3c(OC)ccc(OC)c31)O[C@H](C)C2 963612700 TWGHPMGJAYGYOV-FENDNCTDSA-N 397.515 4.440 0 1 GIAF C[C@]1(C(=O)O)CCC[C@@]2(C)[C@H]1CC[C@@]1(C)C3=C(CC[C@@H]12)[C@@H]1C[C@@H](C(=O)O)[C@H]3O1 1772610622 MWDJGWPPQHFEID-LGHDXDJKSA-N 388.504 4.262 0 1 GIAF CN1CCN(c2cc(-c3ccncc3)c(-c3ccc4c(F)cccc4c3)nn2)CC1 1911580261 ADPDKBUFJALLBQ-UHFFFAOYSA-N 399.473 4.250 0 1 GIAF Cc1cc(Oc2cc(C)cc3c2C[C@@H](C(C)(C)O)O3)c2c(c1)O[C@H](C(C)(C)O)C2 2356693091 XBQWKMGDQPZNKX-VXKWHMMOSA-N 398.499 4.245 0 1 GIAF CC=C(C)C(=O)O[C@@H]1C[C@H](C)[C@@H]2CC(=O)[C@H](C)[C@H]2C[C@@H]1C(C)(C)OC(C)=O 2356777434 VUGXECYJWAHENH-AITVQSCGSA-N 378.509 4.094 0 1 GIAF CCCCCCN1C[C@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(OC)cc1 61923652 ZRFBSEQPZCOTTA-VJBWXMMDSA-N 398.551 4.093 0 3 GIAF Cc1ccc([C@H]2C[C@H](O)[C@@H](n3cc(C4CC4)nn3)CN2Cc2cccs2)cc1 61923679 BEJDZVFFWORYPM-FSSWDIPSSA-N 394.544 4.075 0 3 GIAF Cc1nc2cnc(Oc3cccc(Cl)c3)nc2n(CCc2ccccc2)c1=O 4238532 RPPUBXGMPDWTLR-UHFFFAOYSA-N 392.846 4.183 0 1 GIAF COc1cc2cc3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)O[C@@H]3OC 6483936 JJEHCCQUBCQCHI-QFIPXVFZSA-N 394.379 4.068 0 1 GIAF biogenic O=C1CCn2c(nc3ccccc32)[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 8580281 XRWGYQMLQJIEFL-QFIPXVFZSA-N 381.435 4.398 0 1 GIAF O=C(O)[C@H]1C[C@H](N2Cc3ccccc3NC2=O)c2c(Cl)cc(Cl)cc2N1 13455368 CQWYXNOVMPOVBX-CABCVRRESA-N 392.242 4.351 0 1 GIAF CC(C)(F)c1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651110 PWALITOXUJEEDM-IBGZPJMESA-N 378.447 4.390 0 1 GIAF COc1cc2c(cc1C(F)(F)C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 13779460 JXNUPTWGJIOCQB-UHFFFAOYSA-N 387.308 4.339 0 1 GIAF Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccncc1)[C@H]1C(=O)CC(C)(C)CC1=N2 17511604 ZVJQHFOSOMZTIK-NHCUHLMSSA-N 385.471 4.194 0 1 GIAF COc1ccc(CN2C[C@@H]3C[C@H](C2)Cn2c3c(-c3ccccc3)ccc2=O)cc1 25232759 MVMYLJBOPMRACS-CTNGQTDRSA-N 386.495 4.143 0 1 GIAF biogenic O=C(O[C@H]1CC[C@H](/C=C/CCO)C[C@H]1OC(=O)c1ccccc1)c1ccccc1 26143707 HKTNCUKGCAGDLN-VXNFBLOSSA-N 394.467 4.176 0 1 GIAF NCCCN(CCCCC1CC1)CCCCN(CCCN)CCCCC1CC1 27307848 NFNWKVDAYYLIIJ-UHFFFAOYSA-N 394.692 4.229 0 1 GIAF CC(C)(CC(=O)Nc1cccc(OCc2ccc3ccc(F)cc3n2)c1)C(=O)O 28094907 XKPRBHVTNOLIBA-UHFFFAOYSA-N 396.418 4.392 0 1 GIAF c1cc(C2(CN3CCCCC3)CCOCC2)ccc1OCCCN1CCCC1 35826351 NWZGKUDNQWHIRC-UHFFFAOYSA-N 386.580 4.085 0 1 GIAF CC[C@H](CF)Oc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1 40955984 LOVLVSOTTZREMH-CQSZACIVSA-N 382.863 4.358 0 1 GIAF Cc1ccc(NC(=O)c2ccccn2)cc1Nc1nccc(-c2cccnc2)n1 73169921 PWKFKYPKPHNTDO-UHFFFAOYSA-N 382.427 4.238 0 1 GIAF COCCn1c(-c2cccs2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82188432 RUCWYFJWWYYNIC-OAHLLOKOSA-N 393.516 4.417 0 1 GIAF Cc1ccc2c(c1)/C(=C(\O)Nc1ccc(Cl)cc1Cl)C(=O)N(C)C2=O 100992477 COWWPSLAYVNNMP-FOCLMDBBSA-N 377.227 4.253 0 1 GIAF Cc1cnc(-c2cc(F)ccc2F)cc1Nc1ccnc2cn(C[C@H](C)O)nc12 140280981 ZQMWZDIDXIXNKS-ZDUSSCGKSA-N 395.413 4.204 0 1 GIAF Brc1cccc2nc(Nc3ccc([C@H]4CNCCO4)cc3)ccc12 150021361 SSFHINYBRBTTQJ-GOSISDBHSA-N 384.277 4.402 0 1 GIAF O=c1c2cccc3c2c(cn1[C@H]1CN2CCC1CC2)[nH]n3-c1ccc(Cl)cc1 169694239 NXSYJBVNYHBHHG-FQEVSTJZSA-N 392.890 4.194 0 1 GIAF COc1ccccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12 206154517 BZBMKNSVUGCUMR-UHFFFAOYSA-N 397.481 4.168 0 1 GIAF O=C(O)C[C@@H](NC(=O)c1ccc(Oc2ccccc2)nc1)c1ccccc1Cl 261126932 KKGMEBKMMUWKBW-GOSISDBHSA-N 396.830 4.473 0 1 GIAF CCOc1nn(-c2ncc(Br)cc2F)c(C)c1Cc1ccccc1 474609322 PJUMVISOIZGXNY-UHFFFAOYSA-N 390.256 4.467 0 1 GIAF CSc1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586970265 VUEONPIFPZBTRJ-UHFFFAOYSA-N 398.469 4.356 0 1 GIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(Cl)ncnc2[nH]1 587035313 UZQZUZFQGUWMMY-LLVKDONJSA-N 385.880 4.492 0 1 GIAF FC(F)(F)c1nc2ccncc2cc1-c1nc2ccnc(Br)c2[nH]1 587115860 CKSZOUHOIKZTEC-UHFFFAOYSA-N 394.154 4.349 0 1 GIAF OC1(c2nc3cc(Br)cc(F)c3[nH]2)CCC(C(F)(F)F)CC1 587124530 BEZNJCVAHTZIFT-UHFFFAOYSA-N 381.167 4.405 0 1 GIAF CC(=O)N[C@@H](Cc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(C)cc1 587207455 UHXTUMANEYCEND-HNNXBMFYSA-N 390.256 4.193 0 1 GIAF CN[C@@H](c1cccnc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587221741 HVJZLFSEFLMXEP-LBPRGKRZSA-N 385.187 4.048 0 1 GIAF CCn1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587339848 FTNHWPLUNYDOGS-UNMCSNQZSA-N 380.419 4.330 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(Cc1cc(F)ccc1Br)[C@@H](C2)C3=O 587427756 UYJAQVOUALWMNY-LIRRHRJNSA-N 391.236 4.346 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCN(C)C)cc1)CC2=O 587469774 PJQGJEYSHSCBPI-HSZRJFAPSA-N 383.488 4.166 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H]1NC(=O)OC(C)(C)C)CC2=O 587470427 NBJJAHXIMIGFSW-UWJYYQICSA-N 375.465 4.126 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cccc(S(=O)(=O)CCC)c1)CC2=O 587487968 OTMPLBOXFMHFGM-FQEVSTJZSA-N 388.485 4.235 0 1 GIAF CN1CCN(c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(F)c2)CC1 587502946 JBHLWTDPSKDZFO-HSZRJFAPSA-N 394.490 4.163 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(-n2ccnc2)cs1 587610003 BBHCDCQARKNWQN-NQIIRXRSSA-N 390.420 4.342 0 1 GIAF CCOC(=O)Cc1[nH]c2c(C)cc(Cl)cc2c1N1C(=O)c2ccccc2C1=O 587627039 MGBAHQNFOQIUFH-UHFFFAOYSA-N 396.830 4.036 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OC(F)F)nc2)N1 587713339 COJXEVFJAHGFKC-GLEZIHRCSA-N 387.199 4.208 0 1 GIAF COC(=O)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587723502 AKAUHIURZRAKBZ-HUTHGQBESA-N 396.231 4.138 0 1 GIAF CC(C)Oc1ncccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587768939 FDQYJADHOYCEEV-PIGZYNQJSA-N 379.273 4.394 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccccn3)nc2)N1 587773396 IHMBJVGYWZVSGJ-ADLMAVQZSA-N 399.267 4.064 0 1 GIAF CCOC(=O)[C@H](C(C)C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587799882 UPXOUZWRLCKJQF-MIUNTBIASA-N 386.305 4.173 0 1 GIAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C=O)c1O 587823710 VOOJNQSLBOJOSS-BTDLBPIBSA-N 378.241 4.038 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2scc3c2OCCO3)N1 587851723 IWQFEYIGUPIMBE-VVVCHXIZSA-N 398.297 4.219 0 1 GIAF CSc1ncc([C@@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)[nH]1 962957215 MRJRWTDRXUTWJB-KRWDZBQOSA-N 397.466 4.065 0 1 GIAF Cc1ccc(NC(=O)c2nc(N3CCN(C)CC3)sc2C(C)C)c(Cl)c1 1857553596 ROKCGZNZGCBGTN-UHFFFAOYSA-N 392.956 4.232 0 1 GIAF COc1cc(C(=O)c2cc(C)cc(-c3ccc(C)c(O)c3)n2)cc(OC)c1OC 1857620670 CDLWQYIZULLVTN-UHFFFAOYSA-N 393.439 4.328 0 1 GIAF O=C(NCCCCCCn1nnc(-c2cccc(Cl)c2)n1)Oc1ccccc1 1857645729 ZSUKNVJXXZKXME-UHFFFAOYSA-N 399.882 4.343 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)CC[C@H](O)[C@](C)(O)[C@@H]2[C@H]1OC(=O)C=Cc1ccccc1 2356627962 BYIDNKQJXAGYPI-CMDMASODSA-N 386.532 4.206 0 1 GIAF O=C(Cc1ccccc1)O[C@@]1(C(F)(F)F)C(=O)Nc2c1ccc1ccccc21 3216761 VZCXTCBPMPRGGD-HXUWFJFHSA-N 385.341 4.335 0 1 GIAF O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(-c2cnc(C3CC3)o2)cc1 8608368 QSQAZODKOFNARR-UHFFFAOYSA-N 388.876 4.351 0 1 GIAF CC[C@@H]1CN(Cc2c[nH]nc2-c2ccc(F)cc2)Cc2cc(OC)ccc2O1 12031067 GDPVOSAQYXVBAE-LJQANCHMSA-N 381.451 4.398 0 1 GIAF CCS(=O)(=O)Nc1cc2c(cc1Sc1ccc(F)cc1F)C(=O)CC2 13744827 CJBZZVYTXKNPNY-UHFFFAOYSA-N 383.441 4.007 0 1 GIAF CC1(C)[C@H]2C[C@H](C/C=C/CCCC(=O)O)[C@@H](NC(=O)c3cncs3)[C@@H]1C2 26489050 QBAINONICITHFN-KENZUBBVSA-N 376.522 4.125 0 1 GIAF COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4C(C)C)C3)c2cc1OC 29124347 XZXHAZRYGADTJG-MRXNPFEDSA-N 393.487 4.428 0 1 GIAF CCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O 38253011 STHKIPHGEDOZND-UHFFFAOYSA-N 391.515 4.338 0 1 GIAF NC(=S)N1N=C(c2cccc(Br)c2)C[C@H]1c1c[nH]c2ccccc12 40423968 WJOYMLFUSXBPHD-KRWDZBQOSA-N 399.317 4.325 0 1 GIAF CCOC(=O)c1ccc(C[C@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 45196391 MEPOOKVQDJKKOW-LIRRHRJNSA-N 395.421 4.136 0 1 GIAF Nc1ncnc2c1ccn2-c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 45244885 IHIKBVHWWIQIQY-UHFFFAOYSA-N 397.360 4.274 0 1 GIAF CCCCCNc1ncnc2c1nc(-c1ccc(C)o1)n2CC[C@H]1CCCN1C 82186593 ZBDAFZQLOFWYNW-QGZVFWFLSA-N 396.539 4.481 0 1 GIAF COc1ccc2c(C(=O)CN3CCC(Cc4ccc(F)cc4)CC3)c[nH]c2c1 103228843 GMXUGDJAJSSVFF-UHFFFAOYSA-N 380.463 4.453 0 1 GIAF Nc1cnc(-c2ccc3c(c2)CN2CCC3(c3ccc(Cl)cc3)CC2)cn1 114347781 MNVQGSYZEJNUAT-UHFFFAOYSA-N 376.891 4.275 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4[C@@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714188 ZTHAQUDQAORYRJ-HPGFXGRZSA-N 386.580 4.373 0 1 GIAF O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCO)CC1 299840895 WOWRXMYCLGLRFQ-UHFFFAOYSA-N 386.580 4.401 0 1 GIAF Cc1ccsc1C(=CCCN1CCC[C@@H]1[C@H](O)C(=O)O)c1sccc1C 299862557 NKHZOCUHILCFHA-SJORKVTESA-N 391.558 4.158 0 1 GIAF CCS(=O)(=O)c1cccc(Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 586922493 PKYOALXILKPTBO-UHFFFAOYSA-N 386.370 4.105 0 1 GIAF CC(C)(Oc1ccc(Br)cc1)c1nc2cccc(C(=O)O)c2[nH]1 586996476 QJMNIEDOSXDPLV-UHFFFAOYSA-N 375.222 4.338 0 1 GIAF Cc1onc(-c2nc3nc(Cl)ncc3[nH]2)c1COc1ccccc1Cl 587063191 HNXAQTBKSNOGCE-UHFFFAOYSA-N 376.203 4.202 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2c1 587166615 XUCMNUZTJSYPLB-UHFFFAOYSA-N 397.475 4.477 0 1 GIAF COc1cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)ccc1OCC(=O)NC(C)C 587223787 NQYFWHBCDRTKFX-UHFFFAOYSA-N 395.503 4.439 0 1 GIAF CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444177 RZFZDSZPOWMBHI-ZFTZODIFSA-N 386.488 4.351 0 1 GIAF COc1cc2c3c(c1)O[C@](CSc1nc4ccccc4[nH]1)(C1CC1)[C@@H](C2)C3=O 587449849 DJKXJIQCFHCOHZ-OYHNWAKOSA-N 392.480 4.260 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1ccccc1CC(=O)OCC)CC2=O 587484715 UNQGOVXFKJDEBI-QHCPKHFHSA-N 382.456 4.331 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCc1ccc(Cl)nc12 587552130 NRXMJUBEDXDPII-UWJYYQICSA-N 379.799 4.244 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc2c1OCOC2 587567438 ANWXKLFIPQOYHW-GCJKJVERSA-N 394.354 4.101 0 1 GIAF CCO/C=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587707578 VZWHSYIRXVQARJ-SFIVVMFBSA-N 382.195 4.430 0 1 GIAF COc1ccc2c(c1F)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587738551 PFBWIMXQLUUCPP-GIGQVBGESA-N 394.259 4.460 0 1 GIAF CCOc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1N 587751390 YFJDWBARXFFTHU-NSPYISDASA-N 393.300 4.367 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(C)(C)Cc3n[nH]cc32)N1 587795958 PGGJZBVTVKRFBV-XTZNXHDOSA-N 378.289 4.062 0 1 GIAF CCCCCOC(=O)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587798544 YROATJHRIQMLGA-KPZWWZAWSA-N 386.305 4.461 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccccc2)N1 587826752 IYDXNVZVEKGXRK-BUXKBTBVSA-N 392.268 4.231 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC3(CC2)CC(C(=O)O)C3)N1 587829866 YOIXEEWQTFQDBI-SRNCBKBNSA-N 396.300 4.373 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H](CC(=O)O)C2(C)C)N1 587832589 ZGGCJKPPVMZNMA-OFHFECEISA-N 398.316 4.475 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2COc3ccccc3O2)N1 587833687 OQISJJGNOHLAFX-ZBJVWZGCSA-N 392.268 4.178 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(O)nc2Cl)N1 587853831 RWSDVWLEEPMZSK-RRAGMBSWSA-N 377.666 4.027 0 1 GIAF COc1cccc(C2(c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)CCCC2)c1 587933574 QZXZZDBTFHWOHA-UHFFFAOYSA-N 390.531 4.183 0 1 GIAF CC[C@@]1(Cc2nc3ccc(Br)nc3[nH]2)CC(=O)c2ccccc2C1 587961577 SCXKIWFZNUCZDI-IBGZPJMESA-N 384.277 4.488 0 1 GIAF CC1(C)CCC(C)(C)c2cc(S(=O)(=O)c3cccc(CC(=O)O)c3)ccc21 653723912 LYYSQVHKYHHSFD-UHFFFAOYSA-N 386.513 4.496 0 1 GIAF COc1cccc([C@]2(c3oc4ccccc4c3N)NCCc3c(C)ccnc32)c1 963069159 LWDUQMCESMUAIL-DEOSSOPVSA-N 385.467 4.165 0 1 GIAF Cc1ccn(-c2ccc(C(=O)N3CCC[C@@H](O)c4ccccc43)c(Cl)c2)n1 1857762488 QSKJZSKXHAFOQI-HXUWFJFHSA-N 381.863 4.308 0 1 GIAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3C4=C(C(=CCCC)OC4=O)[C@@H](C[C@H]3O)[C@H]21 2356635234 XJWHYHJLIGBXTB-ZWHCBUBPSA-N 396.483 4.098 0 1 GIAF O=C(N[C@H]1CCCCN(Cc2cccc(F)c2)C1=O)c1ccc2ccccc2c1 199410032 DHTXXNMZFHJGMR-QFIPXVFZSA-N 390.458 4.290 0 3 GIAF CC[C@H](NC(=O)c1cccc2c1C(=O)N(Cc1cccnc1)C2)c1ccccc1 203474613 SQTHQWZKHCQCIS-NRFANRHFSA-N 385.467 4.119 0 3 GIAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 5649664 GNWBLLYJQXKPIP-JJUKPPQNSA-N 388.596 4.334 0 1 GIAF Cc1c(CNc2ccc(Cl)c(Cl)c2Cl)cnc2nc(N)nc(N)c12 13216447 RTHFXVHNLCZUST-UHFFFAOYSA-N 383.670 4.070 0 1 GIAF CS(=O)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2ccc(F)cc2)cc1 13762090 ZNBMTIXROHIRAA-UHFFFAOYSA-N 384.354 4.101 0 1 GIAF O=C(O)C[C@@H](Cc1ccc(OCCCNc2ccccn2)cc1)c1cccnc1 28648060 BNTMUQHWJSORQO-HXUWFJFHSA-N 391.471 4.159 0 1 GIAF COc1cc2c(cc1OCCCOCc1ccccc1)N=C[C@@H]1CCCN1C2=O 29565285 QRDCCWZPLHWYRY-SFHVURJKSA-N 394.471 4.001 0 1 GIAF COc1ccc([C@H]2/C=C/CN(CC3CC3)CC(=O)N2Cc2ccc(F)cc2)cc1 34961622 YFMFCAMAWSFOKK-SLOGNQAFSA-N 394.490 4.186 0 1 GIAF O=S(=O)(NC[C@H](c1ccccc1)N1CCCCCC1)c1cccc(Cl)c1 58519647 SZQOWBGHVDMDJT-HXUWFJFHSA-N 392.952 4.236 0 1 GIAF O=c1cc(Cn2c(-c3ccncc3)nc3ccccc32)c2ccc(F)c(F)c2[nH]1 72109319 BHKLGIPBXBEPAR-UHFFFAOYSA-N 388.377 4.266 0 1 GIAF CCC(CC)c1cc(C)n2nc(-c3ccc(OC(F)F)nc3C)n(C)c(=O)c12 73223105 XZWXWDOJWLZHDY-UHFFFAOYSA-N 390.434 4.217 0 1 GIAF Cc1cccc(CCc2cc(=O)n3c(c2-c2ccccc2)SC[C@H]3C(=O)O)c1 84652048 KMAZRACKVVROFD-IBGZPJMESA-N 391.492 4.340 0 1 GIAF COc1ccc(S(=O)(=O)Nc2ccc(Nc3ccccc3)cc2OC)cc1 84703959 RDVQKXYAHWYPAC-UHFFFAOYSA-N 384.457 4.248 0 1 GIAF Cc1cc(NC(=O)[C@H]2C(=O)N3c4ccc(F)cc4Cc4cc(F)cc2c43)ns1 100658658 HUOWMAKFFMEGQP-KRWDZBQOSA-N 397.406 4.035 0 1 GIAF CCC/N=c1\c(NC(=O)COc2ccc(Cl)cc2)c(O)oc2ccccc12 102853271 LEZSKMQPWFTAGO-PYCFMQQDSA-N 386.835 4.120 0 1 GIAF COc1cc(/C=C/c2cc(=O)c3ccc(OC)c(OC)c3o2)cc(OC)c1OC 103186555 DNOZBEAUUFFBPX-VOTSOKGWSA-N 398.411 4.006 0 1 GIAF CN(C)C(=O)OC(c1cnccc1C(F)(F)F)c1cnccc1C(F)(F)F 103189026 QEYOBPFBOZDPEX-UHFFFAOYSA-N 393.287 4.302 0 1 GIAF O=C(OCCC[18F])[C@H]1[C@@H](c2cccc(/C=C\Br)c2)C[C@@H]2CC[C@H]1N2 149577371 VKZWZSZGPDLBNV-QQYXIMEVSA-N 395.303 4.179 0 1 GIAF Cc1cccnc1N1CCN(C(=O)N(CC2CC2)c2ccc(Cl)cc2)CC1 169302906 FOSPVJDVVJYNSD-UHFFFAOYSA-N 384.911 4.202 0 1 GIAF Cc1ccc([C@H]2C[C@@H](n3cc(C4CC4)nn3)[C@@H](O)CN2Cc2cccs2)cc1 169331496 XRHLWNKYCHYPJE-VSKRKVRLSA-N 394.544 4.075 0 1 GIAF Cc1ccc(N2CCc3ncnc(NCc4cc(Cl)ccc4F)c3C2)nc1 202609993 LPMGTRACHQEKGP-UHFFFAOYSA-N 383.858 4.147 0 1 GIAF CN1c2c(ccc(Cl)c2Cl)N(CCOc2ccc(Cl)cc2)[C@H]1NC#N 299846725 INFQOEHEOOKUCY-KRWDZBQOSA-N 397.693 4.336 0 1 GIAF O=C1CCCN1[C@H]1CC[C@@H](Nc2ncnc3ccc(-c4cncs4)cc23)CC1 299851981 LPXYMTVRTJZZMF-IYBDPMFKSA-N 393.516 4.099 0 1 GIAF Cc1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2n1 587055798 MCZBONFLVMXJNW-UHFFFAOYSA-N 385.254 4.450 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc(/C=C/c3ccc(C)c(F)c3)[nH]c2c1 587146704 SVPPSIRPLOXAKB-JXMROGBWSA-N 387.480 4.259 0 1 GIAF O=C1C[C@@H](c2nc3c(Cl)cnc(Cl)c3[nH]2)CN1Cc1ccc(F)cc1F 587147792 BLNOAXFIZXBOKF-SECBINFHSA-N 397.212 4.059 0 1 GIAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587149624 ICTFXWJLQCGQRU-SSDOTTSWSA-N 397.175 4.442 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc(-c3coc4cc(F)ccc34)nc-2[nH]1 587175919 YAQNBHODTGPRBL-UHFFFAOYSA-N 375.363 4.175 0 1 GIAF Ic1cccc(/C=C/c2nc3cc4c(cc3[nH]2)OCO4)c1 587184338 QZDAEKZOARURPD-SNAWJCMRSA-N 390.180 4.067 0 1 GIAF COC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348938 ONQHVSIWEKGLTB-JTHBVZDNSA-N 378.399 4.432 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ccccc2N(C[C@H]2CO2)c2ccccc21 587398897 JCWFXZZCHDILGK-INIZCTEOSA-N 398.462 4.337 0 1 GIAF COc1ccc([C@@]2(CC(C)(C)CC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587403676 PMSIUBJMUAVKFW-QHCPKHFHSA-N 397.471 4.338 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(F)cc1Br)[C@@H](C2)C3=O 587429038 RTMHAYZDHSVORC-IFXJQAMLSA-N 391.236 4.346 0 1 GIAF COc1c(F)cc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554293 CXGOADKRYMUCMX-UTKZUKDTSA-N 384.334 4.382 0 1 GIAF C[C@]1(c2cc(F)c(N)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558730 TWTIGYRRLVRASP-DYESRHJHSA-N 383.350 4.130 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]([C@H]1CCOC1)C2 587617454 PRUIAHHEQYQCJJ-FJLFQLCHSA-N 380.440 4.319 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)nn2C)N1 587763903 NHBNITQSWSRRLO-BMLIUANNSA-N 380.305 4.243 0 1 GIAF CCCOc1ncccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587775383 ZRIJTQIXLJINMF-GTNSWQLSSA-N 379.273 4.396 0 1 GIAF CCOC(=O)c1[nH]c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587794422 UWIGXDDSXCNDOL-BTDLBPIBSA-N 395.272 4.025 0 1 GIAF COc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587806175 INLGPMKUQIENMG-MLCYQJTMSA-N 380.257 4.100 0 1 GIAF CN1CCc2cnn(C)c2[C@H]1c1ccccc1OCc1c(F)cccc1Cl 963955996 UDXHCKJRRDXWQB-OAQYLSRUSA-N 385.870 4.369 0 1 GIAF COc1cc(/C=C/C(=O)Nc2ccccc2)ccc1OCCN1CCCCC1 1772619974 SUCBPGDIKUCNLJ-ACCUITESSA-N 380.488 4.212 0 1 GIAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3C=C4C(=O)OC(=CCCCO)[C@@]4(CC3)[C@H]21 2356364322 VOCQKLXHYNXMPD-TXABPALYSA-N 396.483 4.100 0 1 GIAF COC(=O)CC(C)(C)C(=O)[C@@H]1CC[C@@H]2C1=CC[C@H]1c3ccc(N)cc3CC[C@@H]21 2356482524 OGTSVFPURVFERY-YOUFYPILSA-N 381.516 4.430 0 1 GIAF O=C(c1cccc(Cl)c1)N1C[C@H]2ON=C(c3c(F)cccc3Cl)[C@@H]2C1 205220453 ANTVWJJYSNQDDH-IUODEOHRSA-N 379.218 4.008 0 3 GIAF CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N(C)C)cc1 770096 NZGHNZINONOUNR-UNMCSNQZSA-N 379.504 4.056 0 1 GIAF COC(=O)c1ccc2c(c1)C[C@]1(C2)Cc2cc3c(c(C(=O)OC)c2C1)CCCC3 1646195 KADAXGCJTHRJPA-RUZDIDTESA-N 390.479 4.022 0 1 GIAF CCCCOC1=C(C(=O)O)[C@H](c2ccc3c(c2)OCO3)Oc2ccc(OC)cc21 13473362 JAPVZQKCROHIIT-FQEVSTJZSA-N 398.411 4.170 0 1 GIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCN(c5ccccc5)CC4)[C@@H]3C=C12 16041732 ATTPURVGODAPOY-FZZWXMEGSA-N 392.543 4.043 0 1 GIAF biogenic COc1c(-c2ccnc(C)c2)ccc2c(=O)c3c(O)nsc3n(C3CC3)c12 35090264 HLRJZTZOCLOTAZ-UHFFFAOYSA-N 379.441 4.031 0 1 GIAF O=C(CCc1c[nH]c2ccccc12)N1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 36286065 KPKOJXZVOJTTBP-VXKWHMMOSA-N 387.527 4.018 0 1 GIAF CCOc1ccccc1NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1 40011737 ILACXRALJHBPRH-HNNXBMFYSA-N 385.439 4.107 0 1 GIAF O=C1N=C(O)/C(=C/c2cn(Cc3ccccc3)c3ccc(Br)cc23)N1 45340231 UWRIOSZXONWIKP-PXNMLYILSA-N 396.244 4.473 0 1 GIAF CCCCCn1c(-c2ccc(O)c(OC)c2)nc2c(NCC(C)C)ncnc21 82177818 RLLPELUCILCNOX-UHFFFAOYSA-N 383.496 4.466 0 1 GIAF CC(C)(C)Cc1nc2c(NCc3cccc(F)c3)ncnc2n1C[C@H]1CCCO1 82184745 JYUNQTYDIHMRFX-QGZVFWFLSA-N 397.498 4.345 0 1 GIAF C[C@H]1C/C=C/C[C@H](c2ccccc2)NC(=O)[C@H](C)N(C)C(=O)c2ccccc2O1 95662609 AFJZYKXXKFYJLB-BFVQVXMSSA-N 392.499 4.122 0 1 GIAF CC[C@@](O)(c1ccccc1)c1ccc(-c2nc(C3CCC3)n3ncnc(N)c23)cc1 96168376 CWZGGFCIDUGSFC-XMMPIXPASA-N 399.498 4.287 0 1 GIAF COc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2ccc(F)cc2)cc1 100107941 HFQBYQMBUVKPKU-YXFZHOHLSA-N 388.486 4.441 0 1 GIAF O=C1CC(=O)N(C2CCN(C3CCCCCCC3)CC2)c2cc(F)ccc2N1 115712423 YHYOWWAGDYWEOY-UHFFFAOYSA-N 387.499 4.078 0 1 GIAF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 169724000 RSKNYKPRUPTLBG-RDJZCZTQSA-N 395.858 4.442 0 1 GIAF O=c1oc2ccc(-c3ccc(F)cc3F)cc2c(=O)n1-c1ccc(F)c(F)c1 205727748 WECUPDUUDQFZTK-UHFFFAOYSA-N 387.288 4.167 0 1 GIAF Cc1ccccc1-c1nccc2cc(S(=O)(=O)Nc3nccs3)ccc12 206101623 UPZAIGPAHMVOEG-UHFFFAOYSA-N 381.482 4.468 0 1 GIAF O=C(c1ncc[nH]1)N1CCOc2ccc(-c3ccc(C(F)(F)F)cc3)cc2C1 206188196 HLRLFPZLTDEYLD-UHFFFAOYSA-N 387.361 4.130 0 1 GIAF COC(=O)[C@H]1[C@H](c2ccc(-c3cccc(N(C)C)c3)cc2)C[C@H]2CC[C@H]1N2C 261101667 GLJUXNMBHHRFQA-ACESQOTJSA-N 378.516 4.159 0 1 GIAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@@H](CN4CCC(N5CCCCC5)CC4)[C@H]3C=C12 504506820 QAWLQHTXXUNGCV-YQHSJXJLSA-N 398.591 4.171 0 1 GIAF biogenic CCOc1n[nH]c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1Br 586978881 AWWADTXFDIZVKU-UHFFFAOYSA-N 391.147 4.013 0 1 GIAF Brc1ccc(COc2ccccc2-c2nc3cncnc3[nH]2)cc1 586997357 CVTSDPPDLXQXPI-UHFFFAOYSA-N 381.233 4.361 0 1 GIAF CC(=O)c1ccc2[nH]c(-c3ccc(NS(=O)(=O)C(F)(F)F)c(C)c3)nc2c1 587125467 QVSVGQLVONAFTL-UHFFFAOYSA-N 397.378 4.002 0 1 GIAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cccc(OC(F)(F)F)c2[nH]1 587174776 MBGCFHMTUIDDPR-GFCCVEGCSA-N 378.329 4.324 0 1 GIAF Cc1nccc2[nH]c(-c3ccccc3NCCNc3ccccc3C(=O)O)nc12 587231533 RZYLAMJGVQZXOX-UHFFFAOYSA-N 387.443 4.156 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](COC(C)=O)(c1ccc(F)cc1F)CC2=O 587465686 HEXIMCCACOYZAE-NRFANRHFSA-N 390.382 4.047 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cnccc21 587492870 YFIQPOAQOMACFJ-DEOSSOPVSA-N 385.419 4.193 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12c1ncccc1-c1cccnc12 587586914 LQLRWWMDYHNNLV-LJQANCHMSA-N 394.386 4.068 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)C(F)F)(C2(C)CC2)N1 587715664 CGPNVKMQYRRHIG-XYZCENFISA-N 390.243 4.342 0 1 GIAF COC(=O)c1cc(F)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587736176 ZDWLTUBWRHCLJK-XYZCENFISA-N 396.231 4.138 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccnc2)(c2ccccn2)N1 587769871 GXPOCQYMCRNIBX-RNODOKPDSA-N 398.279 4.204 0 1 GIAF C[C@@H]1CCCCN1C[C@@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962960459 UUJPIYGPFHGVEZ-OXQOHEQNSA-N 396.497 4.446 0 1 GIAF COc1ccc2[nH]c3c(c2c1)[C@@]1(CCC3)NCCc2cnc3c(OC)cccc3c21 963054716 JISNGCOORPHIPQ-VWLOTQADSA-N 399.494 4.459 0 1 GIAF Cn1ncc2c(Nc3ccc(F)c(F)c3)nc(Nc3ccc(F)c(F)c3)nc21 1772650032 KRXAHKJUMSGMJK-UHFFFAOYSA-N 388.328 4.407 0 1 GIAF Cn1cc(CN2CCC[C@H](CO)C2)c(-c2ccc(Oc3ccccc3)cc2)n1 13596757 XCGUSFCVNPQCPM-SFHVURJKSA-N 377.488 4.084 0 3 GIAF CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccs2)[C@@H]1c1cccs1 2455934 JDXKXJACMISRID-MSOLQXFVSA-N 382.510 4.037 0 1 GIAF CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)OCCCO4)n2)c1 13679256 SNZNFJNCSRVWJV-UHFFFAOYSA-N 376.416 4.007 0 1 GIAF COc1ccc([C@@H]2[C@@H]3CCC[C@@H](C3=O)[C@@H](c3ccc(OC)cc3)N2N=O)cc1 17192727 QWNRHWNQHLYNSX-PLACYPQZSA-N 380.444 4.469 0 1 GIAF COc1ccc([C@H]2[C@@H]([C@@H](O)CCc3ccccc3)C(=O)N2c2ccccc2)cc1 26146206 JBUUXMRKJQWOHR-VXNXHJTFSA-N 387.479 4.393 0 1 GIAF CS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(F)cc2)cc1 28768263 ZDIDRUYEHQWJIA-UHFFFAOYSA-N 399.369 4.069 0 1 GIAF COC(=O)[C@@H]1[C@H](c2ccc(-c3cccc(N(C)C)c3)cc2)C[C@@H]2CC[C@H]1N2C 36177555 GLJUXNMBHHRFQA-MYDTUXCISA-N 378.516 4.159 0 1 GIAF CN1c2ccc(-c3ccccc3)cc2[C@H]2[C@H](CCN2C(=O)c2ccccc2)[C@H]1CO 95878891 NUUZRTGAIQIBSQ-NQHRYMMQSA-N 398.506 4.368 0 1 GIAF O=C(c1ccc(F)cc1)N1C[C@H]2N[C@@H](C1)[C@@H]2c1ccc(-c2ccccc2F)cc1 100108693 KLMTVAJXWDWQDN-NUNAXRQHSA-N 390.433 4.212 0 1 GIAF CN(C)C(=O)c1ccc(Nc2cc3[nH]c(-c4cnn(C)c4)cc3cn2)c(Cl)c1 103250565 STYHVKGHURWWNT-UHFFFAOYSA-N 394.866 4.062 0 1 GIAF O=C(O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(F)c2)C1 143565002 DCJHQXHJMFDIMV-UHFFFAOYSA-N 384.234 4.228 0 1 GIAF NC1CCC(N[C@H]2C[C@@H]2c2ccc(-c3cccc(C(F)(F)F)c3)nc2)CC1 149707846 GJVAQLSJDKEYGJ-ZZVGESKWSA-N 375.438 4.483 0 1 GIAF CCOc1cc(CN2CCN(C)CC2)cc(Cl)c1OCc1ccc(F)cc1 169302805 VUDLTBXWWZBWHX-UHFFFAOYSA-N 392.902 4.204 0 1 GIAF CCCS(=O)(=O)N[C@@H]1CCc2c(-c3ccc(C(F)(F)F)cc3)cncc21 205709633 XVKJEFIEIYSCID-QGZVFWFLSA-N 384.423 4.084 0 1 GIAF CCC[C@@H](CC(=O)O)C1=CC(C)(C)Oc2cc(O)c3c(c21)O[C@@H](C)[C@@H](C)C3=O 238750978 OJXMBTKCCGQFQW-AGIUHOORSA-N 388.460 4.437 0 1 GIAF Oc1cccc2c1OCC(c1nc3c(Cl)ncc(Br)c3[nH]1)=C2 586907050 CGWFOQXUOGGDNX-UHFFFAOYSA-N 378.613 4.012 0 1 GIAF CC(=O)N[C@H](Cc1nc2ccc(F)c(F)c2[nH]1)c1ccc(Br)cc1 586986679 ZKNSCHLHNAYZAJ-CQSZACIVSA-N 394.219 4.024 0 1 GIAF Brc1ccc2c(cnn2CCc2nc3ccc4ncccc4c3[nH]2)c1 587001686 FQERSZAPPFLEFW-UHFFFAOYSA-N 392.260 4.466 0 1 GIAF Fc1c(F)c(F)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1F 587003454 KSFDDRQYZBZNHV-UHFFFAOYSA-N 385.118 4.425 0 1 GIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587044406 AUFGDYYENUZWMT-UHFFFAOYSA-N 393.152 4.314 0 1 GIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587044956 YBISCNAWRPCWPT-UHFFFAOYSA-N 394.258 4.256 0 1 GIAF FC(F)(F)[C@@](F)(Cl)c1nc2ccc(I)cc2[nH]1 587090819 YOXVYGYPROKOMY-MRVPVSSYSA-N 378.494 4.091 0 1 GIAF CN(C)CCOc1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587133534 RPXSWZYCJSMRCM-UHFFFAOYSA-N 396.249 4.180 0 1 GIAF CCOC(=O)[C@@]1(CC(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351807 VIFXBEVJIUQWPL-KNQAVFIVSA-N 386.419 4.238 0 1 GIAF COc1ccc(Br)c([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587376136 HLXYHWVJLQQOGV-SFHVURJKSA-N 376.250 4.229 0 1 GIAF CCOC(=O)C[C@@]1(c2ccc3c(c2)CCCC3)CC(=O)c2cc(C)cc(N)c2O1 587399756 LXCGBUWPZFPVOA-XMMPIXPASA-N 393.483 4.270 0 1 GIAF C[C@]1(COc2ccc3ccc(=O)oc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587532461 OATZDRGLTXOXEE-XMMPIXPASA-N 390.435 4.475 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)nnc1Cl 587551874 KTHPVDCSOZQRHR-RHSMWYFYSA-N 389.194 4.192 0 1 GIAF Cc1nc2sccn2c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620519 ZHPKIYKZNSDFCP-KKSFZXQISA-N 392.436 4.287 0 1 GIAF Cc1nn(C)cc1C(=O)c1c(-c2cn(C)nc2C)[nH]c2c(C)cc(Cl)cc12 587626727 HOBAMPBBRDWFIU-UHFFFAOYSA-N 381.867 4.112 0 1 GIAF COc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C(C)C)nn1C 587760580 YXWSLCCIKMWBRR-DYZYQPBXSA-N 396.304 4.077 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](C)n1cc(Cl)cn1 587861289 QYEBSUDYAKGGOP-SNVBAGLBSA-N 398.772 4.329 0 1 GIAF COc1cccc(C(=O)c2ccc(-c3nc4cc5c(cc4[nH]3)CCC(=O)N5)cc2)c1 587932990 XWYQPOXMEKDQCG-UHFFFAOYSA-N 397.434 4.354 0 1 GIAF C=CN1CC[C@H]([C@@]2(c3ccccc3)c3cc(OC)ccc3CCN2C(C)C)C1=O 962090466 LCRKRAZXPDDWSK-DHLKQENFSA-N 390.527 4.197 0 1 GIAF C[C@@H]1CCCCN1C[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962960464 UUJPIYGPFHGVEZ-UZLBHIALSA-N 396.497 4.446 0 1 GIAF COc1cc(-c2c(C)c(O)nc3c(O)c(OC)ccc23)cc(SC)c1OC 1857551537 OMKIOUOMAVYWKM-UHFFFAOYSA-N 387.457 4.369 0 1 GIAF Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@H]3CNCC2CCCCC2)n1 2356301195 XOWIMIJGEPYLRI-ACRUOGEOSA-N 394.563 4.393 0 1 GIAF CC(C)C1=CC[C@]2(C)[C@H](O)[C@H](O)C[C@](C)(OC(=O)C=Cc3ccccc3)[C@@H]2C1 2356470584 GIVYBSDWYHUABS-VEEZHQPXSA-N 384.516 4.126 0 1 GIAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CC[C@H]4C[C@@]3(CC[C@@H]12)C[C@]41COC(=O)O1 2356664765 HRGBLXKHLLJXCT-WNCPCQDDSA-N 376.493 4.478 0 1 GIAF COc1ccc(NC(=O)[C@]2(C)CCN2Cc2ccc(C(C)C)cc2)cc1OC 61928217 HHUHPQNLYFEBDD-QHCPKHFHSA-N 382.504 4.430 0 3 GIAF COc1ccc(CCCC(=O)O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1 595448 GDVKJUMHVJMEDN-UHFFFAOYSA-N 395.377 4.051 0 1 GIAF COc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccoc2)cc1OC 776324 XJRKCHPTHDQEFU-UHFFFAOYSA-N 398.459 4.222 0 1 GIAF O=C(c1ccccc1)N1CCC(CC2(c3cc4ccccc4[nH]3)OCCO2)CC1 1657502 UUEFOWLBMYCSFM-UHFFFAOYSA-N 390.483 4.310 0 1 GIAF CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N(C)C 4205000 AFEOZOUBLIYTGO-GGAORHGYSA-N 388.467 4.419 0 1 GIAF O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3cc4ccccc4s3)N3CCC[C@@]123 11668155 ZRAQTYRHWYZELA-YDHSSHFGSA-N 389.524 4.234 0 1 GIAF COc1cc2c(cc1OC)C(=O)[C@H](Oc1cccc([C@H](C)N3CCCCC3)c1)C2 28132561 ZEOPUBHBRCLSHH-QMHKHESXSA-N 395.499 4.437 0 1 GIAF Clc1ccc(COc2ccc(Br)cc2CN2CCNCC2)cc1 28822080 LNRVEHHAKRFSJX-UHFFFAOYSA-N 395.728 4.087 0 1 GIAF O=C(N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)O)c1ccc2ccccc2c1 49114627 CHSYLQRPHHWLIY-GOSISDBHSA-N 387.357 4.284 0 1 GIAF COc1ccc(OC)c(NC(=O)[C@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)c1 58482491 WZQBIUPICLCKJZ-GOSISDBHSA-N 398.459 4.009 0 1 GIAF CN(C)c1ccc(-c2nnc3c(C(=O)c4ccccc4)nc4ccccc4n23)cc1 64540402 JWLXTDYEUKLSEJ-UHFFFAOYSA-N 393.450 4.242 0 1 GIAF O=C([C@@H]1CNC[C@]12CCSc1ccccc12)N1CCC(c2ccccc2)CC1 149734899 NBWQARVLSJZWOE-URXFXBBRSA-N 392.568 4.046 0 1 GIAF O=C(c1ccc(F)cc1)N1CCc2ncc(COc3cccc(F)c3)cc2C1 169326808 OEUWQKQKXMSSBQ-UHFFFAOYSA-N 380.394 4.137 0 1 GIAF CC(=O)OC/C=C(\C)CC/C=C(\C)[C@H](C/C=C(\C)COC(C)=O)OC(C)=O 238782998 CONZVMGKHGPFDE-PCFNEIJGSA-N 380.481 4.054 0 1 GIAF Ic1cnc2[nH]c(CCc3cc4ccccc4o3)nc2c1 586906723 GXSYENFLSZBNAQ-UHFFFAOYSA-N 389.196 4.094 0 1 GIAF Cc1c(F)ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c12 587004555 WSYSMYWWEQTNAN-SNVBAGLBSA-N 389.224 4.408 0 1 GIAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3c(C)ccnc3[nH]1)N2 587030577 FYRGWUOLSPEHDC-ZWIPKHHJSA-N 385.518 4.393 0 1 GIAF O=C(O)c1cc(Br)cc2nc(CCc3ccccc3Cl)[nH]c12 587059443 QHFQEURNWOIBSS-UHFFFAOYSA-N 379.641 4.462 0 1 GIAF COc1cncc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12 587127930 CBJGWEKHJLUEMJ-YFKPBYRVSA-N 377.729 4.301 0 1 GIAF CCCCOc1cc2nc(-c3cc(N)c(N)cc3F)[nH]c2cc1Br 587136637 UAFNCLGELOXEHA-UHFFFAOYSA-N 393.260 4.475 0 1 GIAF CCCCCOc1cc2nc(-c3nn(C)c(O)c3F)[nH]c2cc1Br 587155561 MFEIFDQKKCKHEQ-UHFFFAOYSA-N 397.248 4.140 0 1 GIAF COC(=O)C[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H]1C 587351634 NFAAOAWUYHSPME-BQJCRCBKSA-N 398.430 4.238 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(OC)c(OC)cc4ccccc14)[C@@H](C2)C3=O 587444357 TYKAZMSBCODMGL-AOMKIAJQSA-N 376.408 4.354 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(C(=O)O)c1)[C@@H](C2)C3=O 587449898 JXXBGWNERWZAAU-CYFREDJKSA-N 386.403 4.085 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCC(O)CC3)cc1)CC2=O 587474146 FBVUBPPAZVFSPZ-XMMPIXPASA-N 395.499 4.186 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1nc(Cl)ccc12 587551770 JJFQENKBNKASLD-WIYYLYMNSA-N 379.799 4.244 0 1 GIAF C=C1C=C(C)n2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc2N1 587586185 JEWBENDIVCEXIV-NQIIRXRSSA-N 387.395 4.092 0 1 GIAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)CCN1C(=O)c2ccccc2C1=O 587632529 YOKOLDAVBLUSRP-UHFFFAOYSA-N 384.794 4.138 0 1 GIAF O=C(c1cccc2ncccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659815 DNEJYQRQWOVYEN-UHFFFAOYSA-N 395.393 4.439 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2[nH]c3nccc-3cc2F)N1 587726831 LGUUKNGLXLGVHE-ZKANADHPSA-N 378.220 4.179 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3nn(C)cc23)N1 587761142 SLYVBYOTXZQKRJ-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)ccc1OCCc1ccccc1 587944193 CNJGKNAXBKYJJA-SFHVURJKSA-N 388.370 4.437 0 1 GIAF CCOc1cc([C@@]2(C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)ccc1OC 962621013 AYVBCEPWXZSNHZ-CMJOXMDJSA-N 385.504 4.251 0 1 GIAF COc1ccc2c(c1OC)[C@@H](c1cccc(C(OC)OC)c1F)N(C)[C@H](C)C2 962627155 GPKNINRPQANZOJ-ZUOKHONESA-N 389.467 4.100 0 1 GIAF CNc1ccccc1[C@]1(C(F)(F)F)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963609230 MXGYDEDWHDRPOP-BUXKBTBVSA-N 380.410 4.086 0 1 GIAF COc1ccc(Cn2cc3c(=O)n(-c4ccccc4)nc-3c3ccccc32)cc1 1857642514 WUIVNNWHZXXEFR-UHFFFAOYSA-N 381.435 4.349 0 1 GIAF CC(C)[C@@H]1CC[C@]2(C)[C@H](O)CC[C@](C)(O)[C@H]2[C@@H]1OC(=O)C=Cc1ccccc1 2356390687 HVLYGZJHRBJSCY-IPPMDGRRSA-N 386.532 4.206 0 1 GIAF CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)N(C)C 771601 MPAFMGNVEJGQLU-RBBKRZOGSA-N 380.488 4.389 0 1 GIAF Cc1nc(NCCCn2ccnc2)cc(-c2cncc(-c3ccc(F)cc3)c2)n1 1736616 SQFHLBJPMRBNEP-UHFFFAOYSA-N 388.450 4.352 0 1 GIAF COCCOc1cc2nncc(Nc3ccc(Cl)cc3F)c2cc1OC 3834189 DUQXHJPGYOWVMD-UHFFFAOYSA-N 377.803 4.200 0 1 GIAF C[C@@H]1C[C@@H](O)[C@@]2(C)[C@@H](C)C(=O)CC[C@@H]2[C@@]1(C)COc1ccc2ccc(=O)oc2c1 14594095 XYUJBOZUFFMPGO-XNLQNSKSSA-N 398.499 4.200 0 1 GIAF endogenous,in-man FC(F)(F)c1ccc2c(N3CCCNCC3)ncc(-c3ccsc3)c2n1 24904215 PYELNGXKMXIKQP-UHFFFAOYSA-N 378.423 4.177 0 1 GIAF Clc1ccc([C@H]2OCO[C@]2(Cn2cncn2)c2ccccc2)c(Cl)c1 26006442 RSXFIHZFPZTPPO-QZTJIDSGSA-N 376.243 4.226 0 1 GIAF CS(=O)(=O)c1ccc(-c2occ(Cl)c(=O)c2-c2ccc(F)cc2F)cc1 26275051 DQUMVWMTXRUUDL-UHFFFAOYSA-N 396.798 4.309 0 1 GIAF CCc1c2c(nc3ccc(C)cc13)-c1cc3c(C(=O)OC)cccc3c(=O)n1C2 29126280 RSRJWEIZWONGMA-UHFFFAOYSA-N 384.435 4.236 0 1 GIAF CCCCNc1nc(N2CCc3ccccc3C2)nc2cc(OC)c(OC)cc12 82129205 KUXVMBBYSNGTDP-UHFFFAOYSA-N 392.503 4.422 0 1 GIAF CCCCCn1c2ccccc2c2cc(C(=O)CN3CCN(C)CC3)ccc21 96938081 VVZHXQWFMJFZJS-UHFFFAOYSA-N 377.532 4.415 0 1 GIAF Cc1ccc(OC[C@H](O)CN2CCCCC2)c(C(=O)CCc2ccccc2)c1 96941810 JBBRCTCIFYCSDG-OAQYLSRUSA-N 381.516 4.036 0 1 GIAF O=C(Nc1cc(Cl)ccc1Oc1ccc(O)cc1)c1cnn2cccnc12 113654664 GCWWFULDZVZOHD-UHFFFAOYSA-N 380.791 4.133 0 1 GIAF CC1(C)c2cc(Oc3ncccn3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114800780 QYQCJAHENYTBKW-UHFFFAOYSA-N 380.407 4.492 0 1 GIAF COc1cc(/C(=C\c2cccc(OC)c2SC)C(=O)O)cc(OC)c1OC 205336474 XYAZGGYVTPEGJK-NTEUORMPSA-N 390.457 4.068 0 1 GIAF NC(=O)c1ccc(Oc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)cc1 212150105 SIQKPTCYMNYBPU-UHFFFAOYSA-N 378.407 4.024 0 1 GIAF O=C(O)/C=C\c1ccccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586878737 HDIJDLWTQYMSBZ-WAYWQWQTSA-N 383.276 4.377 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc-2[nH]1 586884533 QSAGNHWGHCJPIL-WMUXEFRJSA-N 375.476 4.090 0 1 GIAF Cc1c(Br)cc2nc(/C=C/S(=O)(=O)c3ccccc3)[nH]c2c1C 586925063 FGRBIJJNPYJWAI-CMDGGOBGSA-N 391.290 4.387 0 1 GIAF CN(C)S(=O)(=O)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587026404 DDKNVMLDHLTHGU-UHFFFAOYSA-N 383.498 4.209 0 1 GIAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cccnc4[nH]3)nc2n1 587114749 GVJSHLJIJVSXPT-UHFFFAOYSA-N 392.410 4.424 0 1 GIAF O=C1C[C@H](c2nc3c(Cl)c(Cl)cnc3[nH]2)CN1Cc1ccc(F)cc1F 587149147 MABFHUQVGXTTIJ-VIFPVBQESA-N 397.212 4.059 0 1 GIAF O=C(/C=C\c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1)Nc1ccccc1 587244200 MENCWAGAYNUKQJ-SREVYHEPSA-N 382.292 4.264 0 1 GIAF O=N[C@@H]1Cc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587338331 PPSNERMHMNLBJZ-XPNTWCBSSA-N 389.382 4.477 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Br)c(F)c1)[C@@H](C2)C3=O 587425466 CYAOYCYCCOBCQR-SGTLLEGYSA-N 377.209 4.260 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ncccn1)CC2=O 587465828 HHDRYFMDWCKPKA-QFIPXVFZSA-N 378.403 4.183 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](CNC(C)C)(c1ccccc1OC)CC2=O 587472290 ZXBFWZNYEQZLCF-QHCPKHFHSA-N 383.488 4.212 0 1 GIAF COc1nccc(Cl)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548851 YEFFDRJROXWUBQ-VQIMIIECSA-N 383.787 4.152 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=COc3ccc(F)cc32)N1 587731851 LLBTYJFJUIELFY-YPMLDQLKSA-N 378.216 4.411 0 1 GIAF COCc1ccc(OC)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587799977 CWJLJJYWRQGNAF-WYRIXSBYSA-N 394.284 4.367 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(/C=C/C(=O)O)cc2)N1 587820397 ACSDGOVCCYFCSW-DMFNBIEYSA-N 390.252 4.310 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccc(-c2cccnc2)n1 587863197 UEETYTYRLHCDOL-UHFFFAOYSA-N 397.360 4.419 0 1 GIAF COc1cccc([C@@]2(c3cccc(C)n3)NCCc3cc(C)c(F)cc32)c1OC 962091394 KJUAIDGSQOCWPY-XMMPIXPASA-N 392.474 4.292 0 1 GIAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc(Cl)s2)N1 962698273 GMPHGVBKUJEPSI-MFKMUULPSA-N 379.762 4.248 0 1 GIAF COc1cccc([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)c1OC 962706856 MIXAWGYQHPMNJX-OYHNWAKOSA-N 387.520 4.470 0 1 GIAF NC(=S)c1cccc(-c2cn(CCC(F)F)c3cc(CO)c(F)cc23)c1 1857582595 KEDAAQLGUSHOBH-UHFFFAOYSA-N 378.419 4.229 0 1 GIAF CCCCC(C)(C)[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O 2356519873 RQOFITYRYPQNLL-PIKOESSRSA-N 382.541 4.111 0 1 GIAF CCOc1ccc(NC(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)cc1 1380670 QZRBNKZWYNKHCW-UHFFFAOYSA-N 379.464 4.007 0 3 GIAF CC[C@@H](CO)Oc1cc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2c1 36389264 MMLCATJMLAUEAH-KRWDZBQOSA-N 383.492 4.388 0 3 GIAF O=C(Cc1ccccc1)O[C@]1(C(F)(F)F)C(=O)Nc2c1ccc1ccccc21 3216760 VZCXTCBPMPRGGD-FQEVSTJZSA-N 385.341 4.335 0 1 GIAF COc1c2c(cc3occ(-c4ccc5c(c4)OCO5)c(=O)c13)OC(C)(C)CC2 3983884 LHVKIJSCPPSLSJ-UHFFFAOYSA-N 380.396 4.301 0 1 GIAF biogenic Cc1cccc(NC(=O)c2cc3c(=O)n(C)c4cc(Cl)ccc4c3s2)n1 4921995 UCWDZRPVSLZWSN-UHFFFAOYSA-N 383.860 4.362 0 1 GIAF COc1cccc(C(=O)NC2(C(=O)c3cc(C)cc(C)c3)CCSCC2)c1C 13490030 KDJYQHKQLPMHPG-UHFFFAOYSA-N 397.540 4.499 0 1 GIAF COc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(N(C)C)cc2)cc1 13557929 XZCUJXAMFRABJR-UHFFFAOYSA-N 389.455 4.266 0 1 GIAF Cc1c(C(=O)c2cccc3cccnc23)c2ccccc2n1CCN1CCOCC1 13742598 JVPVYHNGWRWLBG-UHFFFAOYSA-N 399.494 4.061 0 1 GIAF CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccncc2)C2=C(O)CC(C)(C)CC2=N1 19770318 HKVLIEDYXBFTCT-UZLBHIALSA-N 396.487 4.248 0 1 GIAF CN1CCN(c2nc3cc(Cl)c(Cl)cc3nc2Oc2ccccc2)CC1 29053355 XLGPHHSMFXDBGO-UHFFFAOYSA-N 389.286 4.481 0 1 GIAF CC(C)N(C(=O)COc1ccc(-c2c(F)cc(C(=O)O)cc2F)cc1)C(C)C 29410658 XTSRZLXPYJJJHD-UHFFFAOYSA-N 391.414 4.354 0 1 GIAF O=C1OC2(CCC(c3nc4ccc(-c5nnco5)cc4[nH]3)CC2)c2ccccc21 40951488 QZIXVISETJLATJ-UHFFFAOYSA-N 386.411 4.336 0 1 GIAF C[C@H](Cc1nc2c(NCC3CC3)ncnc2n1C[C@@H]1CCCO1)c1ccccc1 82221864 DBHGQYXXFSCTDI-APWZRJJASA-N 391.519 4.173 0 1 GIAF O=C(O)c1cc(=O)c2cc(F)cc(NC(=O)c3cccc(Cl)c3Cl)c2o1 96271896 KUDAYHWNNMDPMX-UHFFFAOYSA-N 396.157 4.189 0 1 GIAF O=C(CN1C(=O)C[C@H](C2c3ccccc3-c3ccccc32)C1=O)c1ccccc1 103278056 JNXFIJHYAUXJGG-OAQYLSRUSA-N 381.431 4.057 0 1 GIAF O=C(c1ccccc1F)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1 146045725 WTJOAMGQUVUPEB-SFHVURJKSA-N 386.373 4.303 0 1 GIAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccc(O)cc3)o2)[C@@H](C)O)c(C)c1Cl 146539041 ZOBHLNTUGXEUMC-PIGZYNQJSA-N 384.823 4.489 0 1 GIAF C[C@H](O)[C@H](CCCCCCC(=O)O)CCC[C@H](O)COc1ccccc1F 216671094 QTRIUVYGJLBNLT-KSZLIROESA-N 384.488 4.158 0 1 GIAF CCCO[C@H]1CC[C@](C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1 261160404 QSURXDMYUKWSGE-SAIGFBBZSA-N 384.564 4.476 0 1 GIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 586948384 OMPIYQPGJSUKTK-UHFFFAOYSA-N 385.276 4.082 0 1 GIAF OCCc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587080498 DMNQZEOQUIOOAI-UHFFFAOYSA-N 389.846 4.128 0 1 GIAF OCCc1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587116581 IAFZNACRPMIRCN-UHFFFAOYSA-N 398.816 4.087 0 1 GIAF CC[C@@H](Oc1ccccc1F)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587154234 AJUJNJXQTOSFNS-OAHLLOKOSA-N 393.422 4.291 0 1 GIAF CN(CCc1nc2cnccc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193867 HKIXWWYPLMHADH-UHFFFAOYSA-N 398.466 4.381 0 1 GIAF COC(=O)c1cc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2cn1 587240445 FLQCWPLJPXDLNP-UHFFFAOYSA-N 387.443 4.354 0 1 GIAF C[C@@]1(c2[nH]nc3ncccc23)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348721 RYJYJSMRAHLQSR-XMSQKQJNSA-N 389.386 4.077 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)nn1[C@H]1CCCCO1)O2 587383635 UJNMGZMYYOKUFN-DOTOQJQBSA-N 395.381 4.198 0 1 GIAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)CC2=O 587480013 VVCHJBMQZAGOMF-YJBOKZPZSA-N 375.465 4.078 0 1 GIAF C[C@]1(CC(=O)NCc2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505629 JFMJJXRVYYWJPI-HSZRJFAPSA-N 381.447 4.135 0 1 GIAF CCOC(=O)CC[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515301 NINCMQSJXZYMJZ-QHCPKHFHSA-N 379.456 4.164 0 1 GIAF CC(C)(C)OC(=O)N1CC2(CC[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 587518746 OTIVJRIVAQXNDU-HSZRJFAPSA-N 383.488 4.300 0 1 GIAF CC(=O)[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545577 HFFDUEAHLSZAJG-SIKLNZKXSA-N 394.810 4.492 0 1 GIAF COc1cc2c(cc1F)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572305 RTFNGGSSIHMQII-OFNKIYASSA-N 392.382 4.343 0 1 GIAF C[C@@]1(c2ccc(C(=O)O)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613260 NMBRPTXUQDBJIL-UZLBHIALSA-N 382.393 4.029 0 1 GIAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cn(C)c2ccccc12 587632308 TZZDVNHNLOIHLF-UHFFFAOYSA-N 384.794 4.470 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc[nH]c2)(C(F)(F)F)N1 587711182 WJCITGVTQSOTFQ-RMLUDKJBSA-N 377.179 4.256 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](c3cnn(C)c3)C2(C)C)N1 587761004 SALCWJXDUZFQCU-PRIMNGNOSA-N 392.316 4.265 0 1 GIAF COc1ccc(-c2cccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)c2)cc1O 587787270 UHJVVYQETZXDBP-UHFFFAOYSA-N 394.452 4.015 0 1 GIAF CCOc1cccc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c1 587867553 JHCOMVCXPUKNIB-UHFFFAOYSA-N 391.349 4.060 0 1 GIAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc(C(F)(F)F)c1 963226360 LPWNZOVRGWOMMX-OALUTQOASA-N 386.373 4.250 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(CN2CCc3c(cccc3C(F)(F)F)C2)cc1 1772600568 YNEKSHAOPDMXMP-AWEZNQCLSA-N 376.422 4.461 0 1 GIAF COC(=O)[C@]1(C)[C@H](O)CC[C@@]2(C)c3cc4c(cc3C(=O)C[C@@H]12)[nH]c1ccccc14 2356447271 YSJQFTPGPPBWEH-HTDNTCHWSA-N 391.467 4.115 0 1 GIAF CCN(CC)CC[C@H](c1ccc(N(C)C)cc1)c1c(O)cc(OC)cc1OC 13661589 YISIWGOCRXXZLD-HXUWFJFHSA-N 386.536 4.339 0 3 GIAF O=C1CS[C@@H](c2c(F)cccc2Cl)N1c1cccc(Br)n1 3587180 GHPFXCJPKKEVRD-AWEZNQCLSA-N 387.661 4.415 0 1 GIAF COc1cccc([C@H]2c3cc4c(cc3O[C@](C)(N3CCCC3)[C@H]2C)OCO4)c1 19898964 LUELUYBCCRBFBS-MPMWTEJESA-N 381.472 4.396 0 1 GIAF CS(=O)(=O)Nc1ccc(Cc2ccc(CCCCCCC(=O)O)cc2)cc1 26940627 XFUCTBARHGSHFG-UHFFFAOYSA-N 389.517 4.227 0 1 GIAF O[C@@H](c1nc2cc(Cl)c(Cl)cc2n1Cc1ccccn1)C(F)(F)F 28817563 XIVYMDXHYVUSBL-ZDUSSCGKSA-N 376.165 4.382 0 1 GIAF Cc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc(C)c1O 48913522 XVEXECDZILLSIY-UHFFFAOYSA-N 376.460 4.046 0 1 GIAF O=C(Nc1n[nH]c2ncc(Br)cc12)c1cc(Cl)cc(Cl)c1 53295318 LAHFDAVWIUCBTR-UHFFFAOYSA-N 386.036 4.280 0 1 GIAF C/C(=C(\C(=O)Nc1nccs1)c1ccc(S(C)(=O)=O)cc1)C1CCCC1 64540347 UBURIMJLSUFEIR-GHRIWEEISA-N 390.530 4.149 0 1 GIAF COCCn1cc2c(n1)N(C)c1ccc(Cl)cc1N(c1ccccc1)C2=O 66261887 CEUWUERWVRWGMM-UHFFFAOYSA-N 382.851 4.243 0 1 GIAF CSc1nn(-c2ccccc2)c2cc(NC(=O)CC3CCNCC3)ccc12 72179009 POSJJEIVEJFHLW-UHFFFAOYSA-N 380.517 4.076 0 1 GIAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCCCC2)nc1-c1ccccc1 82132549 NZPKXGCJRFDWHL-PXNSSMCTSA-N 378.520 4.442 0 1 GIAF C[C@H]1C[C@H](C)CN(c2ncc(C(=O)N3CCCC3)c(-c3ccc(F)cc3)n2)C1 82140000 XFKWRFMRTXDNBP-HOTGVXAUSA-N 382.483 4.001 0 1 GIAF CCc1c(Sc2ccccc2)n(OCCc2ccccc2)c(=S)[nH]c1=O 103186232 GZHDENJFIBFKGW-UHFFFAOYSA-N 384.526 4.291 0 1 GIAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccccc3)on2)n1 203003370 NVRCDBLYUDJPLI-UHFFFAOYSA-N 387.447 4.396 0 1 GIAF O=C(NCc1c(Cl)cc(Cl)cc1C(F)(F)F)[C@@H]1COc2ncccc21 205623352 BMXFYLRLYGVKMS-LLVKDONJSA-N 391.176 4.200 0 1 GIAF COC(=O)C1=CC=C[C@H]2[C@@]1(COC(C)=O)CC[C@@H](C)[C@]2(C)CCc1ccoc1 238742489 SYVYRCZGWRMKCF-UCMODRJZSA-N 386.488 4.483 0 1 GIAF C/C=C/c1cc(OC)c(O[C@@H](C)Cc2cc(OC)c(O)c(OC)c2)c(OC)c1 238774821 INGQOQQCQKLKSZ-NPQIQWPPSA-N 388.460 4.470 0 1 GIAF FC(F)(F)c1cc(-c2nc3cc4c(cc3[nH]2)OCO4)c(Br)cn1 587116172 REIBGMJETOPDCS-UHFFFAOYSA-N 386.127 4.135 0 1 GIAF COc1cc2nc(-c3cc(I)ccc3F)[nH]c2cc1C 587182965 RNCBRCXIWXSGNE-UHFFFAOYSA-N 382.176 4.291 0 1 GIAF O=C(c1cc2ncc(Br)cn2n1)c1coc2ccc(Cl)cc12 587275542 BKMCRDGOGXCKCB-UHFFFAOYSA-N 376.597 4.122 0 1 GIAF Cc1nsc(N)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370322 AGUZHBQZBOSGBN-XLIONFOSSA-N 384.432 4.153 0 1 GIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCc1ccncc1 587395635 SUAWBNFNAXRRCR-NRFANRHFSA-N 390.439 4.266 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN(C(=O)OC(C)(C)C)C3(CCC3)C1)O2 587398023 DJQXOTCYHIJFID-JOCHJYFZSA-N 386.492 4.235 0 1 GIAF COC(OC)c1oc2ccc(O)cc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587412768 OOAVCBFXGUWXEQ-QGZVFWFLSA-N 383.400 4.027 0 1 GIAF COC(=O)c1sc2ncc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2c1C 587415238 QRUBGUQICIMBFQ-NRFANRHFSA-N 396.468 4.163 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cc(OC(C)=O)cc1Cl)[C@@H](C2)C3=O 587420219 GZKRRYLOAIVRFA-BUXKBTBVSA-N 393.222 4.416 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](Cc1nccn1C)(c1ccccc1)CC2=O 587471534 SXWQTLOTLZFEBG-QHCPKHFHSA-N 376.456 4.182 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)([C@@H](C)C(=O)OC)CC2=O 587483038 UESWHCDMYVPBBL-LFVRLGFBSA-N 398.455 4.023 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(Cc1nc(-c3ccccc3)no1)CC2=O 587486950 UVKVBUJVLGFRRE-QFIPXVFZSA-N 378.428 4.361 0 1 GIAF O=C1C[C@@](C(=O)c2ccccn2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587515758 QUBHHPKVALUICU-DEOSSOPVSA-N 384.435 4.099 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1OC(F)(F)O2 587558932 YJHPTVHRYYMYKI-JXFKEZNVSA-N 398.317 4.417 0 1 GIAF C[C@@]1(c2scc3c2OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614226 RUFTWEDALOBRJE-IIBYNOLFSA-N 396.420 4.102 0 1 GIAF CC[C@H](C)C(=O)n1nc(-c2ccc(N(CC)CC)cc2O)c2ccccc2c1=O 587667805 SYEAJWNNAIMJQX-HNNXBMFYSA-N 393.487 4.302 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nc3ccc(F)cc3[nH]2)N1 587727343 BLGBFCLHVHQUKT-PWJLMRLQSA-N 378.220 4.227 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C)NC(=O)OC(C)(C)C)N1 587751188 WUCRKPCVTLEGHG-WMFXKJRFSA-N 387.293 4.077 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)CCN3)N1 587793795 LIOZCKHFZSKOQB-WLRWDXFRSA-N 375.285 4.354 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@]3(C)CC(=O)C[C@@]3(C)C2)N1 587819218 UHHYPBPHWKZELL-CFTLBWQVSA-N 380.301 4.487 0 1 GIAF C[C@@H]1COc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587836374 TYRZJSOMOHUMKC-CLUVUEOHSA-N 376.269 4.395 0 1 GIAF CC(=O)Nc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587850247 YCQRNCZXWDWVOU-ZKANADHPSA-N 383.286 4.232 0 1 GIAF Cc1nc2sccn2c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587855505 JETYHOQGXCXBGG-VVVCHXIZSA-N 394.313 4.404 0 1 GIAF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@H](c2csc3c2CCCC3)N1 962627690 HJVOZURMRZBENV-SUMWQHHRSA-N 397.418 4.214 0 1 GIAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)C2(CC(c3ccc(Cl)cc3)C2)N1 963227018 LRVYIDIRSBZAAO-ZWZMAAFHSA-N 378.859 4.260 0 1 GIAF COc1ccc(Cl)cc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 1772587770 VNOVJBCSHDLPEW-KRWDZBQOSA-N 382.287 4.282 0 1 GIAF O=C1NC(=O)c2c1c1c3c4c2-c2ccccc2[C@@H]4[C@H]2CC[C@@H](O2)[C@H]3c2ccccc2-1 1772632496 KHTOCSUDHUSQFO-BRSBDYLESA-N 391.426 4.356 0 1 GIAF Cc1cc(C(=N)N)cc(C)c1OCCCCCOc1c(C)cc(C(=N)N)cc1C 1857537066 ZQAKHWKZZUTAGV-UHFFFAOYSA-N 396.535 4.117 0 1 GIAF O=C(O)C1=CN(Cc2ccccc2)C=C(C(=O)O)C1c1ccc2ccccc2c1 1857556732 ORZIWDLXLDMJGE-UHFFFAOYSA-N 385.419 4.376 0 1 GIAF Cc1csc(N[C@H](C)c2nc3cc(C(F)(F)F)ccc3n2CCCO)n1 12489782 XVXDPOUUBWIXDA-LLVKDONJSA-N 384.427 4.376 0 3 GIAF CC(=O)Nc1ccc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)cc1 13828586 QOYPYUGVGNSKAK-UHFFFAOYSA-N 387.443 4.472 0 3 GIAF CC[C@H](CO)Oc1cc(NC(=O)c2ccccc2C)c2ncn(C(C)C)c2c1 61949049 DNGQPSSFRAPCFY-MRXNPFEDSA-N 381.476 4.328 0 3 GIAF Cc1ccccc1C1=NO[C@@H]2CN(C(=O)c3ccc(Cl)cc3Cl)C[C@H]12 205220600 IXRCQDFDYUVICB-DOTOQJQBSA-N 375.255 4.177 0 3 GIAF Cc1cc(-c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2SC[C@@H]4C)cc(C)n1 3789925 DNYDAUUCCWZVJY-NSHDSACASA-N 384.432 4.184 0 1 GIAF Cc1ccccc1-c1nc(C(F)(F)F)cn1-c1ccc(S(C)(=O)=O)cc1 3814593 LKGHHHUFGXYFEN-UHFFFAOYSA-N 380.391 4.270 0 1 GIAF Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(Cc3ccccc3)c2n1 3834088 PEKQQOAQBPEQDZ-UHFFFAOYSA-N 397.265 4.396 0 1 GIAF Cc1nn([C@@H](C)C(=O)NCCC2=CCCCC2)c(=O)c2c1sc1ccccc12 6799164 HHCHTWFQZMBPRN-HNNXBMFYSA-N 395.528 4.487 0 1 GIAF CC(C)=CCC[C@@]1(C)Oc2c(c(O)cc(O)c2C(=O)c2ccccc2)C[C@H]1O 13403615 FVSFDNITEZDVAF-AUSIDOKSSA-N 382.456 4.130 0 1 GIAF biogenic CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ncccc2C(=O)O)cc1 13739758 IOLASVBTCVAOKU-UHFFFAOYSA-N 399.878 4.180 0 1 GIAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ncc[nH]4)cn3)[C@H]12 28823114 QMDCWFQXSNKBOA-HEFOVYEXSA-N 377.488 4.489 0 1 GIAF CCCCCC(=O)Nc1cccc2cnn(Cc3ccc(C(=O)O)cc3OC)c12 29473200 OQZSIEWLSJLJCI-UHFFFAOYSA-N 395.459 4.310 0 1 GIAF CN(C)c1ccnc2sc3c(=O)n(-c4ccc5ncsc5c4)ccc3c12 35283141 NSKUPODOMPQJHG-UHFFFAOYSA-N 378.482 4.276 0 1 GIAF CCCCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Cc1ccc(F)cc1Cl 40393012 ZUVYKUHMPDTEMI-QGZVFWFLSA-N 388.888 4.216 0 1 GIAF Cc1ccccc1OCCNC[C@H](O)COc1cccc2[nH]c3ccccc3c12 60221555 XVELGNHVADYMIP-SFHVURJKSA-N 390.483 4.038 0 1 GIAF COc1ccc(-c2nc(Nc3cccc(Cl)c3)nc3[nH]cnc23)cc1OC 84616843 NXPRGHRSTVWAIH-UHFFFAOYSA-N 381.823 4.434 0 1 GIAF CCN(C[C@H]1[C@H](c2ccc(C3=CCCCC3)cc2)[C@H](CO)N1CC1CC1)C(C)=O 95895911 XUTIJFUQYZOMGK-SDHOMARFSA-N 396.575 4.051 0 1 GIAF COc1ccc(C2=Cc3n[nH]c(O)c3[C@H](c3ccc(OC)c(OC)c3)C2)cc1 103182724 KEMXYDIFFFYKMK-KRWDZBQOSA-N 378.428 4.217 0 1 GIAF CCOC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccc(Cl)cc12 169719083 UWSSRFIFNBAIDM-UHFFFAOYSA-N 383.831 4.048 0 1 GIAF Cc1nc(Cl)ccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205019461 IZGZCCHTTGKTCP-UHFFFAOYSA-N 392.768 4.464 0 1 GIAF COC(=O)c1ccc2nc(Cc3ccc(Br)c(C)c3)[nH]c2c1OC 586977827 SZQCKAYLOITENU-UHFFFAOYSA-N 389.249 4.020 0 1 GIAF O=C(O)c1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1F 587016714 AUTPJJXYHVDLGP-UHFFFAOYSA-N 381.388 4.126 0 1 GIAF Cc1cncc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587026938 NSBOSVWGLVOAIR-NJAFHUGGSA-N 380.517 4.403 0 1 GIAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2nc(Cl)c[nH]c-2n1 587033888 JZCZXPGBFWMNCR-LLVKDONJSA-N 385.880 4.444 0 1 GIAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587044646 KMYVAMADUSIDAJ-HNNXBMFYSA-N 381.219 4.278 0 1 GIAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(F)c(Br)c2[nH]1 587069233 GFDSVDBEETWHAX-SNVBAGLBSA-N 382.664 4.403 0 1 GIAF COc1cc2c3c(c1)O[C@](C)([C@@H](C)N1CCCc4cc(C)ccc41)[C@@H](C2)C3=O 587443214 LLYVNXAIKPOTOO-YOQPTCTGSA-N 377.484 4.351 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1sc4nc(C)nc(C)c4c1C)[C@@H](C2)C3=O 587450097 DHZDPMJOVBGCOR-QKKBWIMNSA-N 380.469 4.288 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H]2C[C@H]1CN2C(=O)OC(C)(C)C 587487756 NRBQYGQIVFQTHD-VVYDWRJNSA-N 387.476 4.078 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1nc3c(s1)CN(C(C)C)CC3)CC2=O 587494847 MAQPJENGEZXDTA-SFHVURJKSA-N 386.517 4.274 0 1 GIAF COc1cccc(F)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559671 YQBBKBAPGCOXFS-UGKGYDQZSA-N 380.371 4.417 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCc1cc(F)c(O)cc12 587574126 ZCPBTRLWAKQOJH-DENIHFKCSA-N 378.355 4.040 0 1 GIAF CC1(C)[C@@]2(N)CC[C@@]1(C)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578723 XDJZVICGMADYTD-LUGPXAIHSA-N 379.456 4.020 0 1 GIAF O=C(O)CC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601370 CZQKPHRNIUIWJW-NZQKXSOJSA-N 390.391 4.114 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(F)F)([C@H]2CCCCC2=O)N1 587721134 VXVXYMVYVHOKQW-MIHTYCSTSA-N 390.243 4.342 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(C(=O)O)c(F)c2)N1 587726777 ZUMSTFQRIXEVCF-BCTVWOGZSA-N 382.204 4.049 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(NC(=O)OC(C)(C)C)C2)N1 587743322 OIWSOGHMUBQQAC-LRWYKZPYSA-N 399.304 4.005 0 1 GIAF COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2)cc1O 587787829 YKVIXTLKWQIYEF-UHFFFAOYSA-N 385.423 4.496 0 1 GIAF CCOC(=O)[C@@H]1CCCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587800287 WRZJZZFGKLXPIV-PTAUBWNISA-N 398.316 4.461 0 1 GIAF C[C@H]1C(C)(C)[C@@H](C(=O)O)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587828458 SRBUKLCPTBXDNM-RJIGXRTESA-N 398.316 4.475 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O)N1 587829058 VUBWUZOVDXWTPY-LZIHOWCMSA-N 382.317 4.135 0 1 GIAF CCC(=O)OC1=C(C)OC=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587829431 CERBZARLSQFTCS-MLCYQJTMSA-N 396.256 4.046 0 1 GIAF Cc1cc(-n2c(O)cc(Cc3ccccc3)c2O)nn1Cc1ccccc1F 587945390 NQQHHQQXMRNFJI-UHFFFAOYSA-N 377.419 4.172 0 1 GIAF COC[C@@]1(C)CC[C@H]2[C@@H](CC[C@@H]3C[C@H](OC(=O)CCC(=O)O)CC[C@]23C)C1 653909268 RNFWTYRCQRDWAH-MVCAKEEGSA-N 380.525 4.432 0 1 GIAF COc1cccc([C@@]2([C@H]3CC[C@@H](C(=O)O)CC3)NCCc3cc(C)c(F)cc32)c1 962150210 XVJMDEODMAECOW-SDWUMEBZSA-N 397.490 4.423 0 1 GIAF CC(C)c1nn(C)c2c1[C@](c1ccc(F)cc1)(c1ccc(Cl)cc1N)NCC2 962920333 RQYUMCJCRMOMJL-QFIPXVFZSA-N 398.913 4.356 0 1 GIAF O=C(N=c1[nH]n(Cc2ccccc2C(F)(F)F)c2ccccc12)c1ccoc1 1857558341 UOARYYQRFISJGW-UHFFFAOYSA-N 385.345 4.371 0 1 GIAF COc1cccc(CCN[C@@H](C(=O)Nc2ccc(F)cc2F)c2ccccc2)c1 1857759679 PISYVQNAHFUEQR-JOCHJYFZSA-N 396.437 4.486 0 1 GIAF Cc1nc(C=C[C@@H]2CC=CCCC[C@H](C)C(=O)[C@@H](C)[C@@H](O)CC(=O)O2)cs1 2356336841 OAXHQZGPHDPLOS-LNMJFAINSA-N 391.533 4.099 0 1 GIAF CCCCC[C@@H]1C=C[C@H]2[C@H](CC=CCCCC(=O)O1)[C@@H](O)C[C@H]2OC(C)=O 2356495067 DKLUJLHAYRSKSQ-NXNFSMPISA-N 378.509 4.094 0 1 GIAF CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1 4786993 SYXGQKHLXSLQJL-NRFANRHFSA-N 390.487 4.202 0 3 GIAF COc1cc(Cl)ccc1OCc1cc(C(=O)N[C@@H]2CCc3ccccc32)no1 12298489 XORYJBDQBBZZJS-QGZVFWFLSA-N 398.846 4.333 0 3 GIAF CSc1ncnc2c1ncn2CCCN[C@H](C)c1cccc2ccccc12 61922481 HDSRTSMATDLGBM-OAHLLOKOSA-N 377.517 4.442 0 3 GIAF Cc1ccccc1S(=O)(=O)n1ccc([C@H](O)c2ccc(Cl)cc2Cl)c1 6523281 VFWQZUNWBSJQKM-SFHVURJKSA-N 396.295 4.422 0 1 GIAF CC[C@H](C(=O)N1CCC(C)CC1)n1nc(C)c2sc3ccccc3c2c1=O 6799217 AJNRZVVFTSOQNU-MRXNPFEDSA-N 383.517 4.129 0 1 GIAF CC1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3c(Cl)cccc3Cl)nc21 13475179 OHDGUYABCZECFT-UHFFFAOYSA-N 389.242 4.161 0 1 GIAF Cc1cn2nc(-c3ccc(S(C)(=O)=O)cc3)c(-c3ccc(F)cc3)c2nc1C 13861595 WQJUKRJEMLVPBH-UHFFFAOYSA-N 395.459 4.223 0 1 GIAF C/C=C/C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 13861816 PCRKFWDIMUJRAW-DUXPYHPUSA-N 384.237 4.046 0 1 GIAF COc1c2c(cc3c1[C@H](OC)[C@@H](OC)[C@@H](c1ccc(O)cc1)O3)OC(C)(C)C=C2 14885814 KAMSUIMVPLJLGA-HJNYFJLDSA-N 398.455 4.421 0 1 GIAF biogenic C[C@@H]1CN(c2nsnc2Cl)CCN1c1nc2cc(C(C)(C)C)ccc2[nH]1 28357317 SYVWHVIFQNSLMI-LLVKDONJSA-N 390.944 4.080 0 1 GIAF CCCCCCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc21 29555492 ICWHYWPMIOVVKL-UHFFFAOYSA-N 386.517 4.347 0 1 GIAF CN[C@H]1CCN(CCCOc2ccc(-c3nc4ccc(F)c(C)c4[nH]3)c(C)c2)C1 49088893 VQKSVUVAYXONBW-KRWDZBQOSA-N 396.510 4.048 0 1 GIAF COCCn1c(CC(C)(C)C)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188915 GZLUKXXXDFYZDB-INIZCTEOSA-N 381.524 4.277 0 1 GIAF COc1ccc(-c2ccnc3c2nc(C)c(=O)n3C(C2CC2)C2CC2)c(C)c1 84713878 HMIZAWPUXCDKHY-UHFFFAOYSA-N 375.472 4.445 0 1 GIAF CCc1nn(C)c(C(=O)NCc2ccc(Oc3ccc(OC)cc3)cc2)c1Cl 103184444 JLFVDQWAPQCZRV-UHFFFAOYSA-N 399.878 4.367 0 1 GIAF CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2cccnc2)C2=C(O)CC(C)(C)CC2=N1 104075670 XBQVKIPMINCVSM-JXFKEZNVSA-N 396.487 4.248 0 1 GIAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4[C@@H](C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714189 ZTHAQUDQAORYRJ-GXESYUSNSA-N 386.580 4.373 0 1 GIAF C[C@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1CC[C@H](c2ccccn2)NC1=O)C1CC1 208619870 CQGVMZAJFZRNCD-HEFCMCLBSA-N 397.906 4.055 0 1 GIAF CN(C)CCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1 473123679 MEUWDADPNALRHN-UHFFFAOYSA-N 389.455 4.063 0 1 GIAF O=C(O)c1ccccc1/C=C/c1nc2c(Br)cnc(Cl)c2[nH]1 586880813 BZSZIHYQVWYUKP-AATRIKPKSA-N 378.613 4.242 0 1 GIAF FC1(F)Oc2cc3nc(CCNc4ccc(Br)cc4)[nH]c3cc2O1 586994741 AEVVEWFPCWPYRB-UHFFFAOYSA-N 396.191 4.302 0 1 GIAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(Cl)ncc2[nH]1 587002746 NHBSXZPADFKNHO-NSHDSACASA-N 390.672 4.098 0 1 GIAF Clc1cnc(Br)c(-c2nc3cccc(Br)c3[nH]2)n1 587005603 MNLSNHXMLBMQMM-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF CC(C)(C)c1ccc2[nH]c(-c3cc(Cn4ccc(C(F)(F)F)n4)on3)nc2n1 587119003 UUYPBQSUMMHYSF-UHFFFAOYSA-N 390.369 4.174 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(=O)Nc1cccc(C(F)(F)F)c1)O2 587381770 LLPJFHDPEBXIKL-LJQANCHMSA-N 392.377 4.349 0 1 GIAF CCOC(=O)[C@@]1(c2cccc(C(F)(F)F)c2)CC(=O)c2cc(C)cc(N)c2O1 587382430 PSHJZZKSZWUMMM-IBGZPJMESA-N 393.361 4.020 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc(Br)ccc1N(C)C)[C@@H](C2)C3=O 587416838 GKQBLKZNEZRHFT-IFXJQAMLSA-N 388.261 4.012 0 1 GIAF COc1ccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(O)c1 587444943 XMHZVQOTHPZHHI-DVECYGJZSA-N 388.419 4.101 0 1 GIAF CC[C@]1(CC(=O)O)Cc2ccccc2[C@]2(C1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587446172 AIILESOHFUWICK-QFWMQHCXSA-N 392.451 4.155 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(C(=O)O)cc1)[C@@H](C2)C3=O 587449387 JLWNPRJVDJEGRL-CYFREDJKSA-N 386.403 4.085 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3oc(C(=O)OC)c(C)c31)CC2=O 587485225 UFZGYDIDYAPMCH-QFIPXVFZSA-N 384.428 4.230 0 1 GIAF CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CC1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587518532 KMMHZHFSHHIESE-HOTGVXAUSA-N 383.488 4.441 0 1 GIAF C[C@@]1(c2cc(F)c(O)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559646 YJUBZNPNYKFUCW-UTKZUKDTSA-N 384.334 4.253 0 1 GIAF Cn1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1-c1ccccc1 587580086 GYQPERLDGKGEBH-XUZZJYLKSA-N 398.418 4.496 0 1 GIAF COC(=O)c1csc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587610797 DXTGPDHJVRRNGT-UWJYYQICSA-N 396.420 4.117 0 1 GIAF CCn1ncc(Cl)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587699048 RIBWLNDPHNLJJD-ABKXIKBNSA-N 386.696 4.256 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2-n2ccnc2)N1 587753030 HCCVJERZIJOJKK-CWTRNNRKSA-N 386.268 4.398 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3c2cnn3C)N1 587760954 RJISTLSZKXKBKH-WYRIXSBYSA-N 388.284 4.273 0 1 GIAF Cc1ccc2nc(C)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 587774295 LZDNPOFKMXHWCE-ZMZPIMSZSA-N 388.284 4.476 0 1 GIAF CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)NN1CCOCC1 653776531 AUARZFFIQXIWRC-ZDKIGPTLSA-N 382.589 4.358 0 1 GIAF COc1c(Br)cncc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963093072 BEDXOPHJXSNMFB-GUYCJALGSA-N 377.257 4.102 0 1 GIAF Cc1ccc(S(=O)(=O)n2c(CCCC(=O)O)cc3cc(Cl)ccc32)cc1 1772637915 FLFDQPVCPTUSNL-UHFFFAOYSA-N 391.876 4.247 0 1 GIAF O=C(NCCF)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772639279 YKDHQULQNNKDSF-UHFFFAOYSA-N 379.313 4.140 0 1 GIAF Fc1ccc2[nH]cc(CCN3CCN(c4nsc5ccccc45)CC3)c2c1 1857620954 IQLAXZNATZKPMO-UHFFFAOYSA-N 380.492 4.281 0 1 GIAF CC1(C)Oc2ccc3ccc(=O)oc3c2C[C@H]1OC(=O)/C=C/c1ccccc1 1857637904 OAKTWJUJZDFRFH-YRVHBARZSA-N 376.408 4.132 0 1 GIAF COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3ccc(F)cc3F)o1)CC2 1857641090 SMGHBMVRKGFXCY-UHFFFAOYSA-N 399.393 4.441 0 1 GIAF Cc1nc(C(=O)Nc2ccccc2)sc1[C@@]1(C)CC(c2cccnc2)=NO1 13478222 OXHBMLFQCWUEOT-HXUWFJFHSA-N 378.457 4.139 0 3 GIAF COc1cc2c([C@H]3CCCN3C)cnc(Cc3ccc4c(c3)OCO4)c2cc1O 13372466 QTNXTKJLLAKSHD-LJQANCHMSA-N 392.455 4.035 0 1 GIAF biogenic CCC[C@H]1C(=O)N(CCN(C)C)c2ccccc2C[C@H]1c1ccc(OC)cc1 13450648 VNXOLHFSXRJGAF-YADHBBJMSA-N 380.532 4.346 0 1 GIAF O=C(NCC[C@H]1CN=C(c2ccccc2)c2ccccc2N1)c1ccc(F)cc1 13525950 NYFFROCIRWCNSC-FQEVSTJZSA-N 387.458 4.277 0 1 GIAF Cc1cccc(COc2nn3c(-c4ccoc4)nnc3c3c2C2CCC3CC2)n1 13560497 BTESADIOSMFPBT-UHFFFAOYSA-N 387.443 4.422 0 1 GIAF CCOC(=O)c1c(-c2ccccc2)nc(C)c(C(=O)SCCOC)c1CC 13672328 WFKAMBVDDPXGTE-UHFFFAOYSA-N 387.501 4.316 0 1 GIAF COc1ccc(CSc2nc(Cc3c(F)cccc3F)c(C)c(=O)[nH]2)cc1 13677575 AKENGZWYVAYTFM-UHFFFAOYSA-N 388.439 4.248 0 1 GIAF COc1ccc(Nc2ncc3c(n2)CCN(Cc2ccc(C)s2)C3)c(OC)c1 15778953 ONQJJOYGGZOJBN-UHFFFAOYSA-N 396.516 4.166 0 1 GIAF COc1ccc(CNc2nc(NC(=O)CC(C)C)nc3c2ncn3C(C)C)cc1 28641247 NYPQCTPHAZXZHU-UHFFFAOYSA-N 396.495 4.013 0 1 GIAF CC(C)CN(C=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 36189610 NXXBOHRMYWWVFA-CLERKUBRSA-N 388.596 4.333 0 1 GIAF O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2-c2ccccc21 40972739 NCQAFCHSYFCQQI-UHFFFAOYSA-N 383.856 4.399 0 1 GIAF CN1CCN(CCCc2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC1 43121914 HCSWPUABEVWEMY-UHFFFAOYSA-N 378.495 4.063 0 1 GIAF CSc1nc(NCc2ccccn2)c(C(=O)O)c(SCc2ccccc2)n1 53313467 PEJJGSSYYBUYSM-UHFFFAOYSA-N 398.513 4.196 0 1 GIAF Cc1ccc([C@@H]2C[C@@H](n3cc(C4CC4)nn3)[C@H](O)CN2CC2CCCCC2)cc1 72135914 XPINCFKWHIFHMC-RBZQAINGSA-N 394.563 4.393 0 1 GIAF CC(C)CN(C)c1ncc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c(-c2ccccc2F)n1 82151979 FTBIOGOSVSPKGE-IAGOWNOFSA-N 398.526 4.493 0 1 GIAF CCOc1cccc(-c2cc(NCCc3cc(OC)ccc3OC)ncn2)c1 82161574 NOIPZHBLCJWDBI-UHFFFAOYSA-N 379.460 4.214 0 1 GIAF COc1ccc(Nc2nc(-c3cccc(CO)c3)nc3scnc23)cc1OC 95583814 LCCJDQFHDRNMOQ-UHFFFAOYSA-N 394.456 4.006 0 1 GIAF Cc1nc(-c2ccccc2)c(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)o1 103290124 KFOICDDGJAWJAP-UHFFFAOYSA-N 395.890 4.261 0 1 GIAF c1ccc(-c2cc3nc(-c4ccncc4)nc(N4CCCNCC4)c3s2)cc1 223669068 AGCXNDHYPDJNAX-UHFFFAOYSA-N 387.512 4.220 0 1 GIAF Fc1cc(F)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 587019321 XHRYVEFKSLWWBC-UHFFFAOYSA-N 385.395 4.327 0 1 GIAF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4c(N)ccnc4[nH]3)c(Cl)cc12 587078080 HBDPQZJOZDYNTO-SNVBAGLBSA-N 398.850 4.392 0 1 GIAF O=C(Nc1cccc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1)c1ccc(F)cc1 587163755 SLDHBBXOZGYOSJ-UHFFFAOYSA-N 393.349 4.459 0 1 GIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 587241772 IRCJMPVTCKINMF-UHFFFAOYSA-N 387.367 4.120 0 1 GIAF O=C(/C=C\c1nc2c(Br)cnc(Cl)c2[nH]1)Nc1ccccc1 587245000 ULQOUBNKCOPSBE-SREVYHEPSA-N 377.629 4.026 0 1 GIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OC 587376114 HHHHAKBJEVKEHK-OAHLLOKOSA-N 392.249 4.063 0 1 GIAF CCOC(=O)[C@]1(c2ccc(C(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444477 ZFEAQCFYFVEFGQ-WZONZLPQSA-N 380.440 4.025 0 1 GIAF CCn1cc(Br)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587499011 QHCYEQONMVARFV-MRXNPFEDSA-N 375.266 4.251 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc(Br)c1 587550015 YWFQQVGPIFRJNY-VQIMIIECSA-N 398.212 4.253 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ncc(-c2ccccc2)[nH]1 587590646 SXGKZWKOTIBHGW-KNQAVFIVSA-N 384.391 4.485 0 1 GIAF COCc1ccc(OC)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587595005 QIFDZSROKCVBFH-NFBKMPQASA-N 392.407 4.250 0 1 GIAF C[C@@]1(CCc2ccc(O)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605566 BCVWCFBXAAQHGQ-REWPJTCUSA-N 376.408 4.451 0 1 GIAF COc1ncc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Cl 587693420 DEMGOMIYDJDYJV-VVVCHXIZSA-N 399.691 4.443 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H](C)NC(=O)OC(C)(C)C)N1 587750659 UVNYKHCAPJXYCN-FCHSOHFDSA-N 387.293 4.077 0 1 GIAF Ic1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1 587781311 SUKOAIVRNHLZEX-DAXSKMNVSA-N 390.224 4.398 0 1 GIAF CCOC(=O)[C@@H]1[C@H](C)CC=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587798524 OTFDEHBGKVYVBM-YPAQZAPISA-N 396.300 4.093 0 1 GIAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 587934797 GHOLMRPUPLBHQW-JOCHJYFZSA-N 385.467 4.454 0 1 GIAF COc1cc2c(cc1OC)[C@H](c1ccc(O)cc1OC(F)(F)F)N(C)[C@H](C)C2 962641714 UDCTUGDPJXMFKU-WYRIXSBYSA-N 397.393 4.274 0 1 GIAF COc1ccc2c(c1)[C@]1(C=CN2C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962713650 SHYSVKULLQCZOQ-MWTRTKDXSA-N 396.531 4.405 0 1 GIAF COc1ccc2c(c1)[C@](C)(c1cc(Br)ncc1F)N[C@@H]1CC[C@@H]21 962995404 NGMNRKVWWCZWJE-BJOOFOGMSA-N 377.257 4.105 0 1 GIAF C[C@@H]1C[C@]2(NCCc3c(C(=O)O)cccc32)[C@@H](C)N(Cc2ccccc2)[C@@H]1C 963128129 ZRWSJGIFKQAFFA-RTPKDJLFSA-N 378.516 4.045 0 1 GIAF CNC(=O)[C@@H]1CC=C(c2[nH]c3nccc4c3c2CN(C)c2ccc(F)cc2-4)CC1 1772642399 PEPUACRGCGHXIU-CQSZACIVSA-N 390.462 4.248 0 1 GIAF N=c1c(C(N)=O)c[nH]c2c(-c3cc(Oc4ccccc4)c4c[nH]nc4c3)cccc12 1857588675 PWCFGBVXLCFBKF-UHFFFAOYSA-N 395.422 4.082 0 1 GIAF COc1cc(C(=O)c2cccc(-c3ccc4[nH]ccc4c3)n2)cc(OC)c1OC 1857603859 XCEYPFUXQXKSGS-UHFFFAOYSA-N 388.423 4.487 0 1 GIAF CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1NC(=O)Cc1ccccc1 2836776 UDNTWWZTBSVUNJ-UHFFFAOYSA-N 379.847 4.489 0 1 GIAF O=c1c(CCc2ccccc2)nc2cnc(Oc3ccccc3)nc2n1C1CC1 4238681 YQKNZCVLPUOTLK-UHFFFAOYSA-N 384.439 4.099 0 1 GIAF aggregator CN(C)c1ccc(NC(=O)NCCCN2CCC(Cc3ccccc3)CC2)cc1 13443470 WXIWAAYRLIHEQS-UHFFFAOYSA-N 394.563 4.219 0 1 GIAF CCN(CC)[C@@H]1Oc2cc3c(cc2[C@H](c2cccc(OC)c2OC)[C@@H]1C)OCO3 17252768 XFZQJONSCZRGGL-OAJKGFPOSA-N 399.487 4.261 0 1 GIAF C[C@]12C[C@H](CCCO)C3=C4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@]21CCC(=O)O1 26467244 PLTBONJAGLYTDQ-WJICWSMDSA-N 384.516 4.267 0 1 GIAF O=C(NCC(=O)N(C1CCCC1)C1CCCC1)c1cc2cc(Cl)ccc2[nH]1 28138091 GLHACEDNIMOESK-UHFFFAOYSA-N 387.911 4.265 0 1 GIAF CCC[C@H](Cn1ccc2cc(OCCCNc3ccccn3)ccc21)C(=O)O 28469320 MWWBELOYBXUAQS-GOSISDBHSA-N 381.476 4.418 0 1 GIAF Cc1ccc([C@@H](CCN(C)C)NC(=O)Cc2ccc(C(F)(F)F)cc2)cc1 28653953 YGHUNFFFQIJFLS-LJQANCHMSA-N 378.438 4.366 0 1 GIAF OCCNCc1ccc2c(c1)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1 28714091 OXBQUAIHFATQIM-UHFFFAOYSA-N 397.478 4.102 0 1 GIAF CCCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)[C@H](CO)[C@H]4O 40864042 VPKXJYPWNSQPEG-QLSAUNAQSA-N 392.580 4.322 0 1 GIAF c1c[nH]c(C2CCN(c3ncc(-c4ccc5c(c4)OCCCO5)s3)CC2)n1 66122739 MIXAGCVUQSGXFZ-UHFFFAOYSA-N 382.489 4.079 0 1 GIAF c1cc(-c2nn([C@H]3CCCNCC3)cc2-c2ccc3c(c2)Cc2c[nH]nc2-3)ccn1 71333698 OQMXCWUUGNUFSO-FQEVSTJZSA-N 396.498 4.221 0 1 GIAF CCOC(=O)c1oc2cccc(OCCNCc3cccnc3)c2c1C(C)C 98082770 YMBGRJKDDSBICR-UHFFFAOYSA-N 382.460 4.297 0 1 GIAF O=C(O)c1ccc2c(c1)/C(=C/Cn1cnc3c(O)cccc31)c1ccccc1CO2 100641921 SYAGVTABUOXRSY-VCHYOVAHSA-N 398.418 4.464 0 1 GIAF COc1ccc(CN(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2)cc1 101152087 CNDOHBNSSCZYEQ-PMACEKPBSA-N 380.488 4.464 0 1 GIAF Cc1cccc(NC(=O)NS(=O)(=O)[C@@H]2CCCCCCCCCCC2=O)c1 103176259 ZKJXYTSWXDZCLK-LJQANCHMSA-N 394.537 4.299 0 1 GIAF Cc1ncccc1-c1nccnc1O[C@H]1C[C@H](Nc2nc3ccccc3s2)C1 146046218 QTZTWQRKTZMASJ-GASCZTMLSA-N 389.484 4.479 0 1 GIAF N#Cc1cccc(Oc2ccc(-n3cc(C[C@H](N)CO)c4ccccc43)cc2)c1 146702091 BJUPZCUEGUWQFK-IBGZPJMESA-N 383.451 4.157 0 1 GIAF COc1cccc(Cn2[nH]c(C(F)(F)F)c(Cc3ccc(Cl)cc3)c2=O)c1 148070668 ZAVPQFHREVRETJ-UHFFFAOYSA-N 396.796 4.496 0 1 GIAF O[C@H](COc1cccc(-c2ccccc2F)c1)CN1CCc2ccccc2C1 219737768 DPACXCAILCWPJK-NRFANRHFSA-N 377.459 4.291 0 1 GIAF C/C=C(/C)C(=O)O[C@H]1C/C(C)=C/CC[C@]2(C)O[C@H]2[C@H](OC(C)=O)[C@H]1C(C)C 238752878 CCQQLNBOUQGCJN-NIRLPFHQSA-N 378.509 4.356 0 1 GIAF C=C1CCC=C(C)CC[C@H](/C(=C/C=C/C(C)(C)O)COC(C)=O)[C@H]1C(=O)OC 253666706 QAAVINGBTKKGMU-XGJDQHKMSA-N 390.520 4.285 0 1 GIAF CN(C(=O)c1ccsc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 299827011 FTJKIAYTXDLXNF-UHFFFAOYSA-N 383.313 4.337 0 1 GIAF Cc1cc2[nH]c(-c3ccccc3CS(=O)(=O)c3ccccc3)nc2c(C)n1 586921521 JRRQETFJDWJLMY-UHFFFAOYSA-N 377.469 4.216 0 1 GIAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4cc5ccccc5cc4[nH]3)cc12 587037261 GVHJNHKNXPGCOY-GFCCVEGCSA-N 389.484 4.464 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@H]1c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587043935 VCCSBYDZYBWPJA-LBPRGKRZSA-N 375.391 4.341 0 1 GIAF N[C@@H](Cc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O)C(=O)O 587103888 KQDVKSWULUKPLO-IBGZPJMESA-N 394.430 4.068 0 1 GIAF C[C@H](F)[C@H](N)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587124359 NJOZNJKUVGBCPR-XPTSAGLGSA-N 380.345 4.192 0 1 GIAF FC(F)(F)Oc1ccc2c(-c3nc4cnc(C(F)(F)F)cc4[nH]3)n[nH]c2c1 587126910 IKFPKQFGBQAVEC-UHFFFAOYSA-N 387.243 4.419 0 1 GIAF Nc1ccc(F)c(Cc2nc3c(Br)ccc(Br)c3[nH]2)c1 587141078 KPQDAEOFZDGLJW-UHFFFAOYSA-N 399.061 4.400 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccc(O)cc32)[C@H]1c1ccc(F)cc1 587356827 RPVUXWNNIWULHW-JTHBVZDNSA-N 376.383 4.438 0 1 GIAF CC[C@@]1(CC(=O)O)Cc2ccccc2[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)C1 587409009 SVIOVKGVXYMMTJ-XZOQPEGZSA-N 379.456 4.255 0 1 GIAF COC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 587411793 KLBMXVRBMKFTTF-HXUWFJFHSA-N 377.396 4.330 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccn1Cc1ccccn1 587578124 QGWSEFXOFVDDMY-ZJSXRUAMSA-N 398.418 4.340 0 1 GIAF CCCn1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587583015 SSIISAGHFMPEET-UGKGYDQZSA-N 378.428 4.184 0 1 GIAF COc1cc(C)c(O)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587596072 UJHIMSPTTYWCGB-WMZHIEFXSA-N 392.407 4.426 0 1 GIAF CCC[C@]1([C@@H](C)C(=O)OCC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587795292 IJPMUWHRHACFGF-OAVHHTNSSA-N 386.305 4.317 0 1 GIAF CCOC(=O)C[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587795703 JAAHUTNLENHALW-SPKLELGKSA-N 398.316 4.461 0 1 GIAF CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587801313 JTUWSJFOXMAGSZ-MGNBDDOMSA-N 380.257 4.316 0 1 GIAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1CO 587801323 JXIZDOSCNRYVAV-WLRWDXFRSA-N 394.284 4.103 0 1 GIAF COc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587808219 PQXLBFURPNQGNK-XTZNXHDOSA-N 380.257 4.100 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(C3(C)COC3)cc2)N1 587835878 RDWQGEZRHQLCCZ-BUXKBTBVSA-N 390.296 4.500 0 1 GIAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(-c2ccccc2)[nH]n1 587873236 WSPWJEZMHBOGNR-UHFFFAOYSA-N 376.391 4.167 0 1 GIAF Cn1cccc1CN1CCc2sccc2[C@]12CCCc1ccc(CN)cc12 962368647 BEWGAHWLGDNSOE-QHCPKHFHSA-N 377.557 4.184 0 1 GIAF COc1ccc2c(c1OC)[C@@](C)(c1cc(C(C)=O)cc(C(C)=O)c1)N(C)[C@@H](C)C2 962568399 FPNQRMPLYSMWAL-LFPIHBKWSA-N 395.499 4.249 0 1 GIAF CCOC(=O)[C@]1(CC(=O)c2ccccc2Cl)NCCc2c1sc(C)c2C 963016172 XPGMJPINIFXJFV-HXUWFJFHSA-N 391.920 4.195 0 1 GIAF CCOC(=O)C[C@]1(c2ccc(F)c(C)c2)c2c(F)cccc2C[C@@H]2CCCN21 963101849 MESQWDRMQNXZKR-MBSDFSHPSA-N 385.454 4.491 0 1 GIAF CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2Cl)N=C(c2nccs2)N1 1857753631 GBMCFZZERJYKIV-HNNXBMFYSA-N 393.871 4.252 0 1 GIAF CC(C)=CCC/C(C)=C/CC/C(C)=C/CO[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)O 1857774655 WNCOHPCRBBRDAX-KSTWPOFPSA-N 396.480 4.051 0 1 GIAF CC(=O)OCC=C(C)CC[C@H](O)[C@@]1(C)CCC=C(CCC=C(C)C)C(=O)O1 2356606195 HEHIVTKZZNEECQ-RBBKRZOGSA-N 378.509 4.405 0 1 GIAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)N[C@@H]2CCCC[C@@H]2O)cc1 773966 FGAOEUNBOXDURT-SJORKVTESA-N 398.484 4.112 0 1 GIAF CCN(CC)c1ncnc2sc(C(=O)Nc3cc(C)ccc3OC)c(C)c12 2925907 HKPMBXCTVDFLKO-UHFFFAOYSA-N 384.505 4.415 0 1 GIAF O=S(=O)(c1ccccc1)n1ccc([C@@H](c2ccc(Cl)cc2)n2ccnc2)c1 5974653 WMBBQLXZMKJJOL-HXUWFJFHSA-N 397.887 4.213 0 1 GIAF O=C(N[C@H](Cc1cccc2ccccc12)C(=O)O)c1ccccc1Br 13488282 STJHKVDBCPTSKW-GOSISDBHSA-N 398.256 4.028 0 1 GIAF CCC(=O)N(c1ccc(OC)cc1OC)C1CCN(CCc2ccccc2)CC1 27859749 PCZNDEKFXIUGEN-UHFFFAOYSA-N 396.531 4.154 0 1 GIAF c1cncc(-c2ccc(OCCCN3CCC(Cc4c[nH]cn4)CC3)cc2)c1 28570351 IKCITYWPEBNWPY-UHFFFAOYSA-N 376.504 4.195 0 1 GIAF CCC(=O)[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(/C=C/I)cc1)N2 34010328 ZSIIPJGEQMLBAQ-RXZMZMTDSA-N 395.284 4.296 0 1 GIAF CC(C)C[C@H](NC(=O)CCCCCCCCCCCn1ccnc1)C(=O)O 53683360 PSJOKLGFODYIHJ-IBGZPJMESA-N 379.545 4.400 0 1 GIAF in-vivo CC1=C(C(=O)Nc2ccc(C(F)(F)F)cc2)[C@H](c2ccco2)c2c[nH]nc2N1 64436937 DZCKNCZNJZYEDO-INIZCTEOSA-N 388.349 4.492 0 1 GIAF C[C@@H](Nc1nc2cc[nH]c(=O)c2cc1-c1nc(-c2ccccc2)no1)C(C)(C)C 64549973 VPKHSUDBZGYCSR-CYBMUJFWSA-N 389.459 4.487 0 1 GIAF Clc1ccc(CN2CCN(c3nccc(NCc4ccccc4)n3)CC2)cc1 71318752 KVNDUVHFPYTHQS-UHFFFAOYSA-N 393.922 4.064 0 1 GIAF C/C=C/c1cc(OC)c(O[C@H](C)[C@H](O)c2ccc(OC)c(OC)c2)c(OC)c1 82155023 QZBRVSFQZQNRIB-BUNWUOFNSA-N 388.460 4.255 0 1 GIAF O=C(O)c1cccc(Nc2ccc(C(=O)O)c3oc4c(C(=O)O)cccc4c23)c1 138552580 ZQAVZDKXULNXFK-UHFFFAOYSA-N 391.335 4.424 0 1 GIAF CCCCNC(=O)[C@@H]1C(C)=Nc2ccnn2[C@@H]1c1ccc(Cl)c(Cl)c1 169720752 IRDRQDLCRGLRFE-IAGOWNOFSA-N 379.291 4.418 0 1 GIAF OCC[C@H](NCc1ccnc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1 204417122 VNQJWSWTPGQIFE-IBGZPJMESA-N 387.405 4.376 0 1 GIAF Cn1nc(-c2ccccc2)c2c(C(F)(F)F)cc(-c3cccc(C(N)=O)c3)nc21 221927386 DMTDJQIWQCVYCO-UHFFFAOYSA-N 396.372 4.420 0 1 GIAF CCS(=O)(=O)c1ccc2nc(O[C@H]3CC[C@H](c4ccccc4)CC3)[nH]c2c1 261109291 HUQQIGOAVHTHBH-QAQDUYKDSA-N 384.501 4.462 0 1 GIAF COc1ccc(-c2ccc3ncnc(NC(=O)C4CCCCC4)c3n2)cc1OC 299821338 KSABPMJMWPDVPY-UHFFFAOYSA-N 392.459 4.228 0 1 GIAF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cncnc4[nH]3)c(=O)oc2c1C 586918758 SAQIQOYUQYEESO-UHFFFAOYSA-N 390.443 4.012 0 1 GIAF CCOC(=O)[C@H]1CCc2nc3ccc(O)c4c3c(c2[C@H]1C)-c1ccccc1C4=O 586989219 BNLZAYJIEKBGOJ-STQMWFEESA-N 387.435 4.381 0 1 GIAF FC1(F)Oc2cc3nc(-c4nc(Br)ccc4Cl)[nH]c3cc2O1 587004973 HCDSTKNJEQDGMD-UHFFFAOYSA-N 388.555 4.362 0 1 GIAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(OC)nc2[nH]1 587034750 LADISPAYBDZQHO-ZDUSSCGKSA-N 380.473 4.452 0 1 GIAF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1 587041987 RCPSFGKUJXAPAI-SFHVURJKSA-N 387.530 4.031 0 1 GIAF Oc1nc(S)nc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc12 587069466 BLUFGJLBARXHQB-UHFFFAOYSA-N 390.255 4.383 0 1 GIAF Cc1ccc2nc(CSCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c2n1 587112829 DKUPGCOMESVUTP-UHFFFAOYSA-N 380.395 4.157 0 1 GIAF COc1cc(Br)ccc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587376670 JVDFXDAUWZBGMS-GOSISDBHSA-N 376.250 4.229 0 1 GIAF CCOC(=O)c1[nH]c2ccc(F)cc2c1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587383940 HUGHPFJGXOKUEA-QGZVFWFLSA-N 382.391 4.081 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1N1C[C@H](C)O[C@H](C)C1)O2 587384893 KNOZOXPHTZCYNC-QTCYRWPVSA-N 384.451 4.036 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(-c4ccccc4)nn(C)c1Cl)[C@@H](C2)C3=O 587422508 QJBDFNRQYNLCAJ-VBKZILBWSA-N 380.831 4.238 0 1 GIAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]4CN(Cc5ccccc5)C[C@@H]41)[C@@H](C2)C3=O 587440479 ACRXBELIDJNDKF-OEZVOZRXSA-N 389.495 4.114 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](COC(C)=O)(c1ccc(Cl)cc1)CC2=O 587463278 VEENMEDWSDWEHC-NRFANRHFSA-N 388.847 4.422 0 1 GIAF CN1CCCc2cc(C=O)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c21 587515118 QJYZUDRYEJZNSZ-JOCHJYFZSA-N 375.468 4.467 0 1 GIAF CCOC(=O)C[C@]1(CC(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599269 WTIIYHXLHDYFSX-KNQAVFIVSA-N 384.428 4.092 0 1 GIAF CCCCOC(=O)CC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587792352 KJKZDRHCYTVFIH-XIKOKIGWSA-N 386.305 4.461 0 1 GIAF CC(=O)C[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587812183 ITBZRRAATOGWPP-HXPMCKFVSA-N 376.269 4.345 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC(=O)C[C@H](c3ccco3)C2)N1 587828396 NCNAWBXLFGCAJS-AGMRTUQYSA-N 392.268 4.448 0 1 GIAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587950338 BIKLBHVBKGPSHI-CRFBAAHOSA-N 382.508 4.365 0 1 GIAF COc1cccc(-c2cnn(C(C)(C)C(=O)Nc3ccccc3SC)c2)n1 618008076 QQBVPJSOYBSMHF-UHFFFAOYSA-N 382.489 4.049 0 1 GIAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2c1ccncc1Br 962692460 BKWSDTVMLXQYQG-SGTLLEGYSA-N 393.325 4.436 0 1 GIAF C[C@H]1c2ccccc2N(C[C@@H]2CCCCO2)C[C@@H](C)N1C(=O)Nc1cccnc1 1772621087 OUIXCBSYDNQJPG-HBFSDRIKSA-N 394.519 4.454 0 1 GIAF CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)c(Cl)c1 1857580464 GUMKEEJCBZQQHF-UHFFFAOYSA-N 377.227 4.071 0 1 GIAF Cc1[nH]nc2nc(O)cc([C@H]3CC[C@H](CC(=O)N4CCC(C)(C)CC4)CC3)c12 1911574425 ZPDYGMNVYLLBBB-WKILWMFISA-N 384.524 4.284 0 1 GIAF CN[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)N(C)C)[C@@H]3CC[C@H]2[C@@H]1O 2356511290 FLAMWHBGWKTYPW-XHLSNYGASA-N 376.629 4.154 0 1 GIAF Cc1ccc(C(=O)N[C@@H]2CCCCN(Cc3cccc(Cl)c3)C2=O)c(C)c1 199358826 ZRINUMUFGMSEEI-HXUWFJFHSA-N 384.907 4.268 0 3 GIAF CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N(C)C)cc1 4076856 NZGHNZINONOUNR-IFMALSPDSA-N 379.504 4.056 0 1 GIAF O=C1c2c(O)cccc2Cc2ccc([C@@H](CCc3ccccc3)C(=O)O)c(O)c21 13606161 UZOBICOUXZOJEI-GOSISDBHSA-N 388.419 4.034 0 1 GIAF COC(=O)[C@@H]1[C@@H](OC(c2ccc(C)cc2)c2ccc(C)cc2)C[C@H]2CC[C@@H]1N2C 13745711 BRDDKFGREBLJEO-LDVJMBRRSA-N 393.527 4.434 0 1 GIAF COc1cc2c(cc1OC)CN([C@H]1CCCN(CCCc3ccccc3)C1)CC2 22930462 ZYCSZKGASWZYFJ-QHCPKHFHSA-N 394.559 4.159 0 1 GIAF COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@@H](c1cccs1)O2 26187086 YWPNXVQAAHGWCZ-IBGZPJMESA-N 387.482 4.277 0 1 GIAF COc1cc(C[C@H]2NCCc3cc(Cl)c(Cl)cc32)cc(OC)c1OC 26400292 QZBUIYILWKWSEV-MRXNPFEDSA-N 382.287 4.449 0 1 GIAF CC(C)NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)nc1 28826392 ATDZZSMIODIYKR-UHFFFAOYSA-N 389.499 4.344 0 1 GIAF in-vitro CCCCCCC1=NO[C@H]([C@@H](c2cc[nH]c2)N(C)[C@H](C(=O)OC)C(C)C)C1 73258076 YRPLDGBUZAZOCH-SLFFLAALSA-N 377.529 4.301 0 1 GIAF CCCCCNc1ncnc2c1nc(CCc1ccccc1)n2C[C@@H]1CCCO1 82186665 QBMZGJZZHWUTKU-IBGZPJMESA-N 393.535 4.393 0 1 GIAF C/C=C(/C)C(=O)O[C@@H]1C[C@H](C)[C@@H]2CC(=O)[C@@H](C)[C@H]2C[C@@H]1C(C)(C)OC(C)=O 85541123 VUGXECYJWAHENH-HLLOFWOCSA-N 378.509 4.094 0 1 GIAF biogenic,in-vitro C[S@@](=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(C3=CCOCC3)[nH]2)cc1 96923866 GKDZPOYCEMCTRX-MHZLTWQESA-N 382.460 4.424 0 1 GIAF CC(C)(CCO)Oc1ccc(Cl)cc1NC(=O)c1csc2cncnc12 113650486 NMWMSILCMHNULF-UHFFFAOYSA-N 391.880 4.137 0 1 GIAF CCC1(COc2cccc3ccc(-c4nnc5ccccn45)nc23)CCNCC1 117667258 HETPKWYRMKCRBF-UHFFFAOYSA-N 387.487 4.103 0 1 GIAF CCc1ccc2nc([C@H](NS(=O)(=O)c3ccc(Cl)cc3)C(C)C)[nH]c2c1 586939513 VKARMGLLGMYARS-GOSISDBHSA-N 391.924 4.454 0 1 GIAF OCc1ccc2nc(-c3cccc(N=c4[nH]c(-c5ccccn5)cs4)c3)[nH]c2c1 587021390 MBIFOXUUQFPLAF-UHFFFAOYSA-N 399.479 4.406 0 1 GIAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)nc(S)nc4[nH]3)c21 587031773 ARUMSQCXZMGTDA-SECBINFHSA-N 383.502 4.306 0 1 GIAF COC(=O)c1ccc2nc(-c3ccc(-c4ccc(OC)cc4F)cc3F)[nH]c2n1 587152214 KQGZORJBSCRYHY-UHFFFAOYSA-N 395.365 4.365 0 1 GIAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(OC)ccc2[nH]1 587181263 PRHUTYQTDWSJSG-SECBINFHSA-N 396.232 4.011 0 1 GIAF Cc1ccc(C)c([C@@]2(CO)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587352097 JWDUDGIWJZOBKF-LADGPHEKSA-N 392.426 4.395 0 1 GIAF CCOC(=O)[C@@]1(c2cc(F)ccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587508032 XRVQCHHLAGISFM-QHCPKHFHSA-N 398.430 4.137 0 1 GIAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc(N2CCCCC2)n1 587513234 IXVQFGMZSIZSTL-NRFANRHFSA-N 377.488 4.361 0 1 GIAF CCc1sc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1Br 587653836 MPFHDKTVYMQAMQ-UHFFFAOYSA-N 397.681 4.125 0 1 GIAF O=C(c1ccnc2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661271 VUEGSRSVRYMZEV-UHFFFAOYSA-N 395.393 4.439 0 1 GIAF CCn1ncc(Cl)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587699117 ROUUJMDIJNRZGS-FVMDXXJSSA-N 386.696 4.256 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2C(=O)C(F)(F)F)N1 587709273 JXPKNDMLXNECOT-FFTROKDMSA-N 394.206 4.249 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)c(N)c(F)c2)N1 587723907 ZCWYBENUMFTHCL-CQLKUDPESA-N 385.227 4.246 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc3c2OCOC3)N1 587734058 QDDACIZYRJSMNQ-XYZCENFISA-N 396.231 4.217 0 1 GIAF C[C@H](NC(=O)OC(C)(C)C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587750666 UVNYKHCAPJXYCN-HFBDOXOYSA-N 387.293 4.077 0 1 GIAF COC(=O)c1ccnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 587785211 YTWDCBAAAVYQJR-FMIVXFBMSA-N 385.423 4.494 0 1 GIAF CCOC(=O)C[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800799 ZHZWHTCKXVHUAW-ZMZPIMSZSA-N 386.305 4.317 0 1 GIAF COc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1OC 587804872 CSNCSEORTNDPCT-BMLIUANNSA-N 380.257 4.229 0 1 GIAF COC(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587811953 YAZYYRJACWCLLE-NSPYISDASA-N 392.268 4.173 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1c(Cl)cnn1C 587864380 DVIQIPJNOAXRIT-UHFFFAOYSA-N 398.772 4.043 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1cc(F)cc(F)c1 587868900 VPUKOPHCYBCQJK-UHFFFAOYSA-N 398.291 4.331 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2c(C)csc12 587869217 CTMYXLKUVRCXKG-UHFFFAOYSA-N 391.378 4.275 0 1 GIAF Cc1c([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)nc2ccccn12 962639708 LVVVITGJILVSHU-ATIYNZHBSA-N 394.522 4.479 0 1 GIAF O=C([C@H]1Cc2ccccc2[C@@](CCc2ccccc2)(C(F)F)N1)C(F)(F)F 962705954 GQXIGTOVKFUHFP-APWZRJJASA-N 383.360 4.426 0 1 GIAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]2(c1ccccn1)C1CC1 962948881 BOAFCJZBDZIBIM-OAQYLSRUSA-N 388.433 4.405 0 1 GIAF Cc1coc2c1[C@]1(CC(C)(C)C2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957511 BUULCZBLDPFQRH-XCLFUZPHSA-N 395.833 4.335 0 1 GIAF CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]2[C@@]2(C1)NCCc1c(Cl)cc(Cl)cc12 963116009 BNZWIRJTLXOADW-GEDNVKPRSA-N 383.319 4.221 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(O)C(C)=O)C1 2356440257 TVQDBRRFOFGWDS-NUDIJZITSA-N 376.537 4.281 0 1 GIAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)CO)CC[C@H]32)C1 2356642950 AGKUVCXEPCJNMJ-BREFHQGTSA-N 376.537 4.138 0 1 GIAF Clc1nc2ccccc2cc1-c1nnn(-c2ccccc2Br)n1 12726064 IQJRLGAPWVCSBE-UHFFFAOYSA-N 386.640 4.293 0 3 GIAF O=C(NCCCc1nc2cc3ccccc3cc2[nH]1)c1ccc2nccnc2c1 35313676 BLXOWZKNGNRJCL-UHFFFAOYSA-N 381.439 4.022 0 1 GIAF CCCC(CCC)C(=O)OC[C@@]1(CO)C/C(=C/c2ccc(Cl)cc2)C(=O)O1 40393756 BJOJLGQNFHTPBO-LRJKXPEMSA-N 394.895 4.161 0 1 GIAF O=C(N[C@H]1CCCC[C@H]1O)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 66074688 XGTCOQJJUQPLBV-NWDGAFQWSA-N 388.773 4.047 0 1 GIAF CCOP(=O)(OCC)[C@@H](c1nc2cc(C)c(C)cc2[nH]c1=O)C(F)(F)F 82053253 STAKFPRFRJCNIM-AWEZNQCLSA-N 392.314 4.409 0 1 GIAF O=C(O)C[C@@H](CC(=O)c1ccc(I)cc1)c1ccccc1 95572807 QYOQQMKCKYQDEA-CQSZACIVSA-N 394.208 4.123 0 1 GIAF COc1ccc(-c2nnc(-c3ccc([125I])cc3)o2)cc1 100752076 PDYUNYPXHQJKKO-RFLHHMENSA-N 376.170 4.017 0 1 GIAF COC(=O)[C@@]1(/C=C2/c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 104691693 VVOONWVRIYRRAY-WXGUSNETSA-N 380.415 4.264 0 1 GIAF ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4C[C@@H]([C@@H]5O[C@@H]54)[C@@H]3[C@@]1(Cl)C2(Cl)Cl 169308985 DFBKLUNHFCTMDC-CHJNHWQWSA-N 380.913 4.481 0 1 GIAF CCc1cc(CC)n(C[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)n1 261188310 YFGJKTCILASHFF-RZDIXWSQSA-N 388.943 4.354 0 1 GIAF CO[C@H](Cn1nc(-c2ccccc2)c2c(N)nc(SC)nc21)c1ccccc1 473134918 DGZMKJMPNOAZTM-MRXNPFEDSA-N 391.500 4.185 0 1 GIAF CCN(CC)S(=O)(=O)c1ccc2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c2c1 586885882 AIAQLDFHBQLLET-JUBNYVGKSA-N 387.549 4.061 0 1 GIAF Oc1nncc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c12 586997768 DLEWKMKVOAPWDC-UHFFFAOYSA-N 397.232 4.067 0 1 GIAF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cnncc2[nH]1 587086808 MGIBYEVPVVZXEP-SREVYHEPSA-N 385.258 4.383 0 1 GIAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(C(N)=O)cc2[nH]1 587121657 JKQHVKDRJASWBG-UHFFFAOYSA-N 386.333 4.084 0 1 GIAF COc1ncc(F)cc1-c1nc2cc(Br)c(OC(C)C)cc2[nH]1 587175872 JDTBQSCSTOEAJG-UHFFFAOYSA-N 380.217 4.322 0 1 GIAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Br)cc1O 587378981 YJLJJWZQTYMJSP-INIZCTEOSA-N 392.249 4.151 0 1 GIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(F)(F)F 587380457 FFEHPKBVPYZWPF-MRXNPFEDSA-N 381.350 4.233 0 1 GIAF C=CN1CCCC[C@H]([C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587515150 QMXKSTFYUMBHLB-RDPSFJRHSA-N 379.500 4.452 0 1 GIAF COc1cc(N2CCOCC2)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518252 DKAOYMYDCOLBRA-QHCPKHFHSA-N 393.483 4.117 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nc(Cl)cnc1Cl 587555333 ZWAIKYFRNRFUAV-CXAGYDPISA-N 389.194 4.192 0 1 GIAF Cn1cc([C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cn1 587580398 HXKHUHIJRPMWAJ-XUZZJYLKSA-N 398.418 4.031 0 1 GIAF CC[C@@]1(c2c(C)nn(C)c2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583357 VNUWVRWIPNFYLT-KNQAVFIVSA-N 378.428 4.010 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(-c3ccco3)nc2)N1 587776941 ZHKPTTXAMJLYQB-BMLIUANNSA-N 388.240 4.262 0 1 GIAF COc1cccc2c1CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587804592 BIHVDVIYQDMDEH-JEOXALJRSA-N 376.269 4.321 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1cccn1C 587866154 VYWYURQTLQLTPF-UHFFFAOYSA-N 377.366 4.189 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ncnc2ccc(F)cc12 587867538 IQZMFAZSVPWXEG-UHFFFAOYSA-N 389.312 4.044 0 1 GIAF CCc1ccc(C(=O)CCc2nc3c(F)cnc(Br)c3[nH]2)cc1 587957371 YLYVQMMXZOSLRX-UHFFFAOYSA-N 376.229 4.237 0 1 GIAF CCOC(=O)c1c(Cl)cccc1[C@H]1NCCc2cnc3c(OC)cccc3c21 963046934 MIWTYWCMNQIZOF-OAQYLSRUSA-N 396.874 4.309 0 1 GIAF COc1ccccc1[C@]1(C[C@H]2CC[C@@H](C(=O)O)CC2)NCCc2c(C)ccnc21 963064463 AJWJDDBVXGVLGM-RHGYRFJNSA-N 394.515 4.069 0 1 GIAF COC(=O)c1[nH]c2ccccc2c1[C@@H]1NCCc2c(Cl)cc(Cl)cc21 963125377 UPSJWNVESBXSJA-QGZVFWFLSA-N 375.255 4.496 0 1 GIAF CN1CCc2c(Br)cccc2[C@]12CCC[C@H]2NC(=O)OC(C)(C)C 963278416 BBZOWLHTWRJPAV-APWZRJJASA-N 395.341 4.210 0 1 GIAF CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3[C@H](O)Cc3cccnc32)CC1 1911575181 GXGJCQKYFGCNLT-LJQANCHMSA-N 398.890 4.379 0 1 GIAF CC(C)CN(CC(C)C)C[C@@H]1O[C@H](Cc2cc(C(C)(C)C)on2)CC[C@H]1O 2356381400 LAZQXZQKBXMERN-ZCNNSNEGSA-N 380.573 4.037 0 1 GIAF O=C1[C@H]2C[C@@H](CN2Cc2ccc3ccccc3n2)Oc2ccccc2N1CC1CC1 2356738292 FAGAIQLZSGSZSN-NZQKXSOJSA-N 399.494 4.013 0 1 GIAF O=C(c1ccc2c(c1)oc(=O)n2CCc1ccccn1)c1ccccc1Cl 604887 ANWSBTBPKAAZAM-UHFFFAOYSA-N 378.815 4.117 0 1 GIAF COP(=O)(/C=C/[C@H](NC(=O)C(Cl)(Cl)Cl)c1ccccc1)OC 1863476 HNQAAPCNCAGSJB-FBOQAHMBSA-N 386.599 4.214 0 1 GIAF CCCCCCC1=NO[C@H](c2cccc(OCC)c2)[C@H]1C(=O)NCCCOC 4214606 KDHHIMJHGPAMFS-LEWJYISDSA-N 390.524 4.252 0 1 GIAF CCOC(=O)c1ccc(NC(=O)Nc2ncccc2OCc2ccccc2)cc1 13680225 JUEZIXBGVAKTAS-UHFFFAOYSA-N 391.427 4.481 0 1 GIAF CCOP(=O)(Cc1cccc2c1S(=O)(=O)c1ccccc1O2)OCC 26252051 KTXICYFUEDAPJT-UHFFFAOYSA-N 382.374 4.391 0 1 GIAF COC(=O)C[C@@H](c1ccncc1)[C@H](C(=O)N(C(C)C)C(C)C)c1ccccc1 34987625 YAAQJXJMSVDQFT-RBBKRZOGSA-N 382.504 4.158 0 1 GIAF CC(C)(C)NC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(O)c(C(=O)O)c2c1 35086921 QXAVTPZMCGPKOV-UHFFFAOYSA-N 398.846 4.487 0 1 GIAF CN(C)c1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1 40867041 FWDFANUPSHXNBN-UHFFFAOYSA-N 394.862 4.306 0 1 GIAF Cc1ccc(NC(=O)c2ccno2)cc1-c1ccc(C(=O)NCC2CC2)cc1 40918754 DEGRMENUSQEWHH-UHFFFAOYSA-N 375.428 4.042 0 1 GIAF CCCCCc1nc(-c2cnc(N3CCOCC3)nc2-c2ccco2)oc1C 82165757 FRMFIKBSIDHJLX-UHFFFAOYSA-N 382.464 4.269 0 1 GIAF C[C@@H](Cc1nc2c(NCC3CC3)ncnc2n1C[C@H]1CCCO1)c1ccccc1 82221866 DBHGQYXXFSCTDI-QFBILLFUSA-N 391.519 4.173 0 1 GIAF COc1cc2c(c(C)c1C(=O)O)Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2 87613092 WQNZSMVUUOVALR-UHFFFAOYSA-N 399.182 4.348 0 1 GIAF COc1ccc(-c2c3cc(OC)c(OC)c(OC)c3cc3c2ncn3C)cc1 96938730 SGDDXOISORGLMQ-UHFFFAOYSA-N 378.428 4.428 0 1 GIAF CN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2s1 144190178 TVDPBVQZLIIBJU-UHFFFAOYSA-N 375.457 4.199 0 1 GIAF O=C(Cc1c(C(F)(F)F)ccc(Cl)c1Cl)N[C@H]1COc2ncccc21 144960233 HFOCHEDOFFQSKO-LBPRGKRZSA-N 391.176 4.200 0 1 GIAF CONc1cnc(C(C)C)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 169719094 RWMNEUACSFPMQN-UHFFFAOYSA-N 397.319 4.281 0 1 GIAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4nccc(C)c4[nH]3)cc2)c1C 586947356 MRRMGSPUYMCNFL-UHFFFAOYSA-N 392.484 4.351 0 1 GIAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(Br)c(O)c2[nH]1 587027708 GZZJVDIZYBIOEI-UHFFFAOYSA-N 375.251 4.458 0 1 GIAF CC1=C(c2ccc3nc(C4CC(F)(c5cccc(F)c5)C4)[nH]c3c2)NNC(=O)C1 587131436 HXLQDCKWNPSYBV-UHFFFAOYSA-N 394.425 4.200 0 1 GIAF O=C(CCc1nc2ccc(Br)c(F)c2[nH]1)Nc1cccc(F)c1 587163146 NDXKDIWFKFGNNK-UHFFFAOYSA-N 380.192 4.175 0 1 GIAF COc1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 587183722 HPFWRCMIMPNQJN-HJWRWDBZSA-N 376.197 4.347 0 1 GIAF O=C(c1ccc(F)cc1Cl)c1c(CO)oc2cc(Br)cnc12 587276457 PXASGNQXJBDPQU-UHFFFAOYSA-N 384.588 4.106 0 1 GIAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3[nH]c(O)cc32)[C@H]1c1ccc(F)cc1 587347633 PGJMHKCLDRDYJE-RBBKRZOGSA-N 379.387 4.156 0 1 GIAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CN1CCCCC1 587401175 TUUWXIYICQCUGM-DEOSSOPVSA-N 394.515 4.452 0 1 GIAF COc1cc2c3c(c1)O[C@@](C)(c1sc4nc(C)cc(C)c4c1N)[C@@H](C2)C3=O 587451203 JCYZIHIIBUOADP-YEJXKQKISA-N 380.469 4.167 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)OC(F)(F)O2 587559197 ZMXISEYPMLFNKD-XLIONFOSSA-N 398.317 4.417 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(=O)c2ccc(F)c(F)c2)N1 587725291 ORGBHGMUEISUJV-ZKANADHPSA-N 384.195 4.325 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(C[C@@H]3CC[C@H](C2)N3C2CC2)N1 587772069 UZQDWPVDCHITHJ-OGFUWJSUSA-N 379.317 4.107 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3nc(O)oc3c2)N1 587778682 OHZAIJBXFFBNKK-LZVRBXCZSA-N 391.240 4.233 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C)(C)[C@H]1CC[C@@]2(C(=O)O)C1 587828625 UMPMTCGRRYXJTG-NLWJUZDLSA-N 396.300 4.229 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CC2CCC3(CC2)OCCO3)N1 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CCOc1ccccc1C1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N(C)C 771683 AFEOZOUBLIYTGO-GMAHTHKFSA-N 388.467 4.419 0 1 GIAF O=C1CN(C(=O)c2cccs2)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2456479 CEHYYCHVLGWCKN-LJQANCHMSA-N 384.407 4.210 0 1 GIAF COCC(=O)N1CCC2(CC1)CCN(c1ccc(-c3ccccc3)cc1)CC2 4238062 HKORRRJIJROXNC-UHFFFAOYSA-N 378.516 4.209 0 1 GIAF COc1cc(C(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@](O)(C(C)C)[C@@H]23)ccc1O 5757690 YEQVRBJRNFLOQJ-SQOUVECCSA-N 388.504 4.470 0 1 GIAF CO[C@@H]1CN(CC2Cc3ccccc3C2)CC[C@H]1n1c(C)nc2cc(C)ccc21 29128966 UETBCRHGQLBFHE-JWQCQUIFSA-N 389.543 4.330 0 1 GIAF CC[C@H](c1ccn2c(-c3ccnc(N)n3)c(-c3ccc(F)cc3)nc2c1)N(C)C 40973467 PKWNHRGUHZKXHZ-GOSISDBHSA-N 390.466 4.192 0 1 GIAF CCCC[C@@H](CC)C(=O)OC[C@@]1(CO)C/C(=C\c2ccc(Cl)cc2)C(=O)O1 44418183 JEDIOERZFNMBAO-PZCCAKEJSA-N 394.895 4.161 0 1 GIAF COC(=O)c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1C 45316327 ZBTUIONYUOHXER-IFXJQAMLSA-N 395.421 4.055 0 1 GIAF FC(F)c1cc(-c2ccnc(NC3CCCCC3)c2)nc(N2CCNCC2)c1 58574686 VAVGLCQDZFLPHS-UHFFFAOYSA-N 387.478 4.235 0 1 GIAF O=S1(=O)N=C(c2cn(Cc3ccccc3)c3ccccc23)Nc2ccccc21 73351186 GLMCPIQSUOEMHI-UHFFFAOYSA-N 387.464 4.251 0 1 GIAF OCCN1CCN(Cc2ccccc2Sc2ccc3ccccc3c2)CC1 84732488 SMPNFCXJQDIFFK-UHFFFAOYSA-N 378.541 4.101 0 1 GIAF COC(=O)CCCCCCCO[C@@H](Cn1cncn1)c1ccc(Cl)cc1 103276837 DRKXRCRSFSXMRA-SFHVURJKSA-N 379.888 4.203 0 1 GIAF COC[C@H]1CCCN1c1nccnc1Oc1ccc(Nc2ccccn2)cc1 139097347 YUZBHYHIGQXOMZ-QGZVFWFLSA-N 377.448 4.023 0 1 GIAF CSc1nn2cc(-c3nc4ccc(OCc5ccccn5)cc4o3)nc2s1 205904918 RWKRLMZAVYXRPL-UHFFFAOYSA-N 395.469 4.295 0 1 GIAF O=C(Nc1ccnc(O)c1)c1cc(C(F)(F)F)ccc1O[C@H]1C[C@@H]2C[C@@H]2C1 261186293 XNISXOXNXGRBGI-GNXNZQSNSA-N 378.350 4.236 0 1 GIAF CC[C@H](C)NC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc(C)c1 299882918 QNMMJDYOVUPWIY-KURKYZTESA-N 380.536 4.463 0 1 GIAF Clc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2n1 586999200 VJXMPIFIIHSZCZ-RJRFIUFISA-N 378.613 4.273 0 1 GIAF Clc1nccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 586999859 CQUQOWSOQYCTAO-OWOJBTEDSA-N 392.640 4.315 0 1 GIAF Ic1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1 587016337 KEHLHBBZELSHQL-GFCCVEGCSA-N 397.241 4.143 0 1 GIAF Cc1c(-c2nc3cc(F)c(F)c(F)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587073357 GUVLXEZLNYGZIY-UHFFFAOYSA-N 377.757 4.249 0 1 GIAF FC(F)(F)CSc1cc(-c2nc3ccnc(Br)c3[nH]2)ccn1 587092536 VNMFSUAJHGYQAJ-UHFFFAOYSA-N 389.200 4.437 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(Br)nc2[nH]1 587233419 OUJHZDMFJDNIBA-GHMZBOCLSA-N 395.301 4.271 0 1 GIAF CC1(C)[C@H]2C[C@H]1[C@](C)(O)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346818 AJVUKXMVTFSSAH-NHTDBWIUSA-N 396.458 4.446 0 1 GIAF COC(=O)C[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H]1C 587351637 NFAAOAWUYHSPME-WEMXSTORSA-N 398.430 4.238 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H]3CCC[C@H](C1)N3Cc1ccccc1)O2 587401615 ULBWIACJPREDCR-HROJSSOGSA-N 376.500 4.498 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc4c(c3)C(=O)OC4)o1)O2 587411493 JXKDZDHJQNANGG-HXUWFJFHSA-N 375.380 4.214 0 1 GIAF COc1cc2c3c(c1)O[C@](c1ccncc1)(c1cc(F)ccc1F)[C@@H](C2)C3=O 587424593 POZVLXJZPKTWEU-HTAPYJJXSA-N 379.362 4.060 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@]1(c2ccccc2)CCOC1 587615232 FOXJGUAGNHLGID-NKKJXINNSA-N 388.419 4.081 0 1 GIAF CCn1ncc(Cl)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587699051 RIBWLNDPHNLJJD-FVMDXXJSSA-N 386.696 4.256 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccn(C)c2)(C(F)(F)F)N1 587709106 ICABUXSYMWOGPS-BJOHPYRUSA-N 391.206 4.267 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]([C@H]2CCCC2=O)(C(F)(F)F)N1 587710891 UXKODINCLNUKPX-UYNUJQBQSA-N 394.206 4.249 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587723505 AKAUHIURZRAKBZ-XYZCENFISA-N 396.231 4.138 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2n[nH]c3ccc(F)cc23)N1 587729933 IIPZBDLTKNDEIO-QPFGOUBPSA-N 378.220 4.227 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cncc(F)c2)(C2CC2)N1 587733089 NLCQWIHNEMKVSE-YPMLDQLKSA-N 379.248 4.310 0 1 GIAF CCOC(=O)N[C@H](c1ccccc1)[C@H]1CCCC[C@@]12NCCc1c(C)ccnc12 963077998 VVFDEGWTNSYWKX-PQNGQFLHSA-N 393.531 4.409 0 1 GIAF O=c1c2ccccc2sn1-c1ccccc1-n1sc2ccccc2c1=O 1772652844 WQKMCUICYOFZCD-UHFFFAOYSA-N 376.462 4.418 0 1 GIAF C[C@@H](CCC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356308320 LNOFKAWCANXKAC-ONKRKHDVSA-N 390.564 4.254 0 1 GIAF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@@H]2[C@@]23C=CCC[C@H]2[C@@]1(C(=O)CCC)OC3=O 2356780029 IRKACHWWOSXIEC-VBFMOULASA-N 396.483 4.181 0 1 GIAF c1ccc2oc(-c3n[nH]cc3CN(Cc3ccncc3)C[C@H]3CCCO3)cc2c1 15961699 BZVXQOIRFMRRBC-HXUWFJFHSA-N 388.471 4.399 0 3 GIAF C[C@H]1CN(C2CCCCC2)C(=O)[C@@H]1CC(=O)Nc1ccc(Br)cc1 61923288 BFFFQIGXKMQHOI-SUMWQHHRSA-N 393.325 4.205 0 3 GIAF COc1ccc(-c2noc([C@H]3CCCN(C(=O)NC4CCC(C)CC4)C3)n2)cc1 201454483 CUOHEBKGTVEPLO-NXYGQSRBSA-N 398.507 4.213 0 3 GIAF O=C(c1ccc(O)cc1)N1CCc2c(n(Cc3ccc(O)cc3)c3ccccc23)C1 6393401 ADXYEWMDAGIULV-UHFFFAOYSA-N 398.462 4.299 0 1 GIAF in-vivo CSc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1 13525176 XGAVKLLYKCBUQT-UHFFFAOYSA-N 378.906 4.318 0 1 GIAF COc1ccc(-c2nc(SC[S@@](C)=O)[nH]c2-c2ccc(OC)cc2)cc1 28217880 XFQPBHGOXAISLH-SANMLTNESA-N 388.514 4.189 0 1 GIAF c1ccc(Sc2ncnc3ncn([C@@H]4CNc5ccccc5CO4)c23)cc1 29128060 LPPQCKNWBLNGHP-KRWDZBQOSA-N 375.457 4.118 0 1 GIAF O=C(NC1CCC(O)CC1)c1cc(Cl)c(OCc2cccc(Cl)c2)cn1 40413816 UYXSHHGDVGWFNH-UHFFFAOYSA-N 395.286 4.001 0 1 GIAF CC[C@H](C)NC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1ccc(F)cc1 82140905 WOELPXYAWAVPSG-XHSDSOJGSA-N 384.499 4.293 0 1 GIAF C[C@@H](CNc1ncnc2c1nc(C1CC1)n2C[C@@H]1CCCO1)c1ccccc1 82188863 QCEVBAWTTZSXSG-YJBOKZPZSA-N 377.492 4.098 0 1 GIAF CCCCNc1ncc2c(-c3ccccc3)nn(CC3CCC(N)CC3)c2n1 84653113 JHLDSSUQVZCRDO-UHFFFAOYSA-N 378.524 4.223 0 1 GIAF O=C(NCCCNc1nc(NC2CCCCC2)ncc1C1CC1)c1cccs1 95562730 FYOSSYGFAQVIGI-UHFFFAOYSA-N 399.564 4.392 0 1 GIAF O=C(Nc1nc(-c2ccccc2)nc2cn(-c3ccccc3)nc12)c1cccnc1 95581589 PZBXENJWAVRDLL-UHFFFAOYSA-N 392.422 4.130 0 1 GIAF Cc1cccc(-c2[nH]c(CNc3ccc(F)cc3)nc2-c2ccc3ncnn3c2)n1 113391487 CQTXNDVEQYBQPS-UHFFFAOYSA-N 399.433 4.241 0 1 GIAF C[C@@H]1C=N[C@@H]2C(NCCN3CCCCC3)=Nc3cc(-c4ccccc4)sc3N21 169725057 LDKPTJRHAUNLFR-IERDGZPVSA-N 393.560 4.140 0 1 GIAF COc1ccc2c(c1)CC(=O)N2[C@H](C(=O)Nc1c(C)cccc1C)C(C)(C)C 299855984 BKJCDKWMPSXGCD-OAQYLSRUSA-N 380.488 4.255 0 1 GIAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 586889932 OCRIAIAZFZGRGI-MGPLVRAMSA-N 389.249 4.169 0 1 GIAF Cc1cc2[nH]c(CCC[S@@](=O)c3ccc(Br)cc3)nc2c(C)n1 586961934 ZGMDVDYRVGQQLC-HSZRJFAPSA-N 392.322 4.078 0 1 GIAF Cc1c(F)ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586969148 GVVSHLZOJDINAJ-UHFFFAOYSA-N 384.392 4.081 0 1 GIAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(C)c(C)cc2[nH]1 586984119 IAVYUUKDSUTYED-SFHVURJKSA-N 386.293 4.362 0 1 GIAF CC(C)Oc1ccc2nc(CN(C[C@@H]3CCCO3)C(=O)OC(C)(C)C)[nH]c2c1 587196943 DEEUFSBYPIMPDN-INIZCTEOSA-N 389.496 4.266 0 1 GIAF Nc1ccc2c(c1)[C@@]1(CCO2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333777 IDTCUOSETIPIOL-FYYLOGMGSA-N 391.398 4.150 0 1 GIAF CCOc1ccc(-c2n[nH]cc2[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1F 587425916 HWWZKQDLKRNTSI-PEBXRYMYSA-N 394.402 4.112 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccc(Cl)cc3)nn1)CC2=O 587459406 DAUUFYGVUOYHPQ-LJQANCHMSA-N 383.835 4.285 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)F)(C2(C)CC2)N1 587723002 UPRAKFMUBHNPNK-XLFHBGCDSA-N 390.243 4.342 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=COc3cc(F)ccc32)N1 587737151 YKNZVXQEQPALOX-MGNBDDOMSA-N 378.216 4.411 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2-n2ccnc2)N1 587755721 QHKWKGVERZBMFT-BLVKFPJESA-N 386.268 4.398 0 1 GIAF COc1cncc(CC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587776629 YJKDKUOGRUPOJD-MEDUHNTESA-N 379.273 4.200 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(COc2cccc(C=O)c2)N1 587796776 VGGWIWBCVSHZLP-BLVKFPJESA-N 392.268 4.229 0 1 GIAF CC[C@]1(c2ccc(O)c(OC)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587808183 PLRVPWUMFIAZAU-JEOXALJRSA-N 394.284 4.490 0 1 GIAF Oc1cc(-c2cccc(F)c2)c(O)n1NCc1ccccc1Br 587941294 RISZYXBOEKUPHG-UHFFFAOYSA-N 377.213 4.212 0 1 GIAF COCCCN1CCc2ccc(OC)cc2[C@H]1c1ccc(-n2ccnc2)c(F)c1 961318029 FGLPHTBQVUZPQK-HSZRJFAPSA-N 395.478 4.004 0 1 GIAF Cc1cc2c(cc1O)[C@H](CCCc1cccc(C(F)(F)F)c1)N[C@H](C(=O)O)C2 963508723 MANMBOZZBIEHDB-ROUUACIJSA-N 393.405 4.382 0 1 GIAF OCCCCCNc1nc(Nc2ccccc2)nc(Nc2ccc(F)cc2)n1 1772593856 NAIHOFITDDRWNO-UHFFFAOYSA-N 382.443 4.072 0 1 GIAF O=c1c2c(oc3ccc(Cl)cc13)N1C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]1CC2 1857581609 LIURVOFJXCLLNT-FSPMTTQMSA-N 384.907 4.072 0 1 GIAF CC[C@H](C)C(=O)OCC=Cc1c(OC)cc(OC(=O)[C@@H](C)CC)cc1OC 2356491741 OBZBPIALARPOKZ-GJZGRUSLSA-N 378.465 4.258 0 1 GIAF CCCCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1cn(C)c2ccccc12 4792813 VOLQHNFZNZQETD-FCHUYYIVSA-N 389.499 4.005 0 1 GIAF CCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)N(CCC)CCC 13644335 FLJXSBFBGDRUMQ-UHFFFAOYSA-N 396.579 4.201 0 1 GIAF Clc1ccc2[nH]nc(NC3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 13685219 QJWWTNKROISUSJ-UHFFFAOYSA-N 384.867 4.022 0 1 GIAF Cc1c(C(=O)c2ccc3cccnc3c2)c2ccccc2n1CCN1CCOCC1 13742597 MKFQSRZGXGZRFE-UHFFFAOYSA-N 399.494 4.061 0 1 GIAF CCCCCCOC[C@H](CO[P@](=O)(O)OC)SC(=O)c1ccccc1 27409174 RLUYSTOIWIWGFI-MRXNPFEDSA-N 390.438 4.289 0 1 GIAF O=C1CN(Cc2ccc(Cl)cc2)C[C@@H]2c3cccn3-c3ccccc3CN12 27522932 NTFVRGIIXIQBFW-OAQYLSRUSA-N 377.875 4.030 0 1 GIAF NS(=O)(=O)c1ccc(-c2cc3ccncc3cc2OCc2ccccc2)cc1 40414375 KKMQKOWAGAPQDL-UHFFFAOYSA-N 390.464 4.128 0 1 GIAF O=C1CCCCC[C@@H]1S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 40834212 HGGPZWDJKUWJDH-ZDUSSCGKSA-N 388.329 4.400 0 1 GIAF COCCSc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(Cl)c2)cc1 45320621 POZWNJMOJKSPRM-QRWLVFNGSA-N 379.953 4.333 0 1 GIAF O=C(CCc1ccc(-c2ccc(O)c(F)c2)cc1)Nc1ccccc1C(=O)O 473090890 BAFFLNNSUBCTIE-UHFFFAOYSA-N 379.387 4.468 0 1 GIAF N=C(N)c1cc2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2oc1=O 473137265 XPEKMZWZRBNKJU-UHFFFAOYSA-N 383.451 4.284 0 1 GIAF CCS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586894957 HQAYJFRIWUCJSD-UHFFFAOYSA-N 392.480 4.183 0 1 GIAF COc1ccc2c(C)c(CCc3nc4c(C)nc(C)cc4[nH]3)c(=O)oc2c1C 586917396 AZCRQPSEHWXJLG-UHFFFAOYSA-N 377.444 4.092 0 1 GIAF CC1=C(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)[C@H](C)n2ncnc2N1C 587107387 RICVZNUOFJCARQ-AWEZNQCLSA-N 393.450 4.480 0 1 GIAF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2cc(=N)[nH]cc2[nH]1 587121442 DOEGQIHIDISLNI-UHFFFAOYSA-N 391.378 4.368 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC(=O)OC(C)(C)C)cc1)[C@@H](C2)C3=O 587442426 WRARPEOMEXYYHO-JXFKEZNVSA-N 382.412 4.498 0 1 GIAF CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444174 RZFZDSZPOWMBHI-YMYXXHFHSA-N 386.488 4.351 0 1 GIAF CC1(C)Oc2ccc(C(=O)O)cc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587530209 BMJWZRKQZGTHDE-QHCPKHFHSA-N 378.424 4.295 0 1 GIAF CCN(CC)[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587573652 UCFLZGZIOPPVKC-TXTKFYIRSA-N 381.472 4.377 0 1 GIAF Cn1ncc2c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc21 587581201 KTBUNMZTRLCQRX-REWPJTCUSA-N 386.407 4.156 0 1 GIAF CCc1nc(-n2ncc3ccc(Cl)cc3c2=O)c2c3c(sc2n1)CCC3 587653556 JECWWBJFMFJFOD-UHFFFAOYSA-N 382.876 4.095 0 1 GIAF Cc1[nH]nc2c1[C@@]1(CC(C)(C)C2)N[C@H](C)Cc2ccc(F)c(Br)c21 587798632 UPKVOLUXMJWJAW-GIGQVBGESA-N 392.316 4.370 0 1 GIAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C=O)c1O 587823845 WSRRIBFOBXRMAN-BTDLBPIBSA-N 378.241 4.038 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(C(=O)O)c2)N1 587825315 GYAHDIUTFPOGSS-MLCYQJTMSA-N 378.241 4.084 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc(C(F)(F)F)n1 587860719 FMYVECXROIGXFG-UHFFFAOYSA-N 388.271 4.376 0 1 GIAF CCOC(=O)c1nn(-c2ccc(C)cc2)cc1[C@@H]1NCCc2ccc(F)c(C)c21 962295535 DYKPLWIPLCZURA-NRFANRHFSA-N 393.462 4.040 0 1 GIAF Cc1c(F)ccc2c1[C@](C)(c1ccc(OCc3ccc(C(=O)O)o3)cc1)NCC2 962303151 VGRPDJFCKOLLRK-QHCPKHFHSA-N 395.430 4.414 0 1 GIAF COc1cc([C@]2(CCC(=O)O)NCCc3c2sc(C)c3C)ccc1Cl 963014057 SUDVZVBBSKUSDE-IBGZPJMESA-N 379.909 4.281 0 1 GIAF CN1C(=O)c2cccc3c(NS(=O)(=O)c4ccc(F)cc4Cl)ccc1c23 1857549807 JCZSBVZAGIPHRO-UHFFFAOYSA-N 390.823 4.023 0 1 GIAF NCc1cc(=O)c2ccc(Oc3cccc(C(=O)Nc4ccccc4)c3)cc2o1 1857606640 FALHNLNBVQXWSA-UHFFFAOYSA-N 386.407 4.296 0 1 GIAF CCOC(=O)C(C)(C)Oc1ccc(C(=O)c2cc3cc(C)ccc3oc2=O)cc1 1857753874 WVAFDHBZQCQADW-UHFFFAOYSA-N 394.423 4.053 0 1 GIAF O=C(Nc1ccccc1)c1cc([C@H]2CCCN(C(=O)c3cccs3)C2)on1 61927275 ZYODHASUQZVKDC-AWEZNQCLSA-N 381.457 4.008 0 3 GIAF CCCCNC(=O)c1nc(C2CCNCC2)oc1-c1cccc(C(F)(F)F)c1 95570777 PMAPLVFHKAXGEQ-UHFFFAOYSA-N 395.425 4.357 0 3 GIAF COc1ccc(C(=O)O)c(-c2ccc3c(c2)OC[C@H](Cc2ccccc2)[C@H]3O)c1 833251 XTMBPZNYSZQZBQ-GAJHUEQPSA-N 390.435 4.345 0 1 GIAF Cc1cc(NC(=O)CN2C(=O)C[C@@H](c3ccccc3)Sc3ccccc32)no1 4162772 ZRXMFAODDOEIIE-SFHVURJKSA-N 393.468 4.192 0 1 GIAF COc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CCN(C(C)=O)CC1 26014865 GYNAMDMVOYKWLO-UHFFFAOYSA-N 382.891 4.286 0 1 GIAF O=C1NC(=O)[C@@H](Cc2ccc(OCc3csc(-c4ccccc4)n3)cc2)S1 26578577 XYGXMWGZJXIRGT-QGZVFWFLSA-N 396.493 4.283 0 1 GIAF CC[C@@H](C)c1ncc(CO)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28569464 CGQUUYFAQMPGKQ-SNVBAGLBSA-N 396.331 4.190 0 1 GIAF CC[C@H](O)c1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)[C@H](C)CC)c(O)c12 40423110 CCOHVVJBRSLHNZ-DOMZBBRYSA-N 388.460 4.385 0 1 GIAF biogenic CC(C)OC(=O)c1cn(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc12 40762550 MQTHDMRMIHSRCF-UHFFFAOYSA-N 377.849 4.097 0 1 GIAF O=C(O)CC[C@]1(c2ccccn2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1 48998550 IXTGDXLZCDARRX-HXUWFJFHSA-N 387.867 4.166 0 1 GIAF FC(F)(F)Oc1cccc(-c2cnc3ccc(NCCc4cccnc4)nn23)c1 73292368 BKFNTBKNZLBZEU-UHFFFAOYSA-N 399.376 4.345 0 1 GIAF COc1ccc(Oc2cc(-n3nc(C)n(C(F)F)c3=O)c(F)cc2Cl)cc1 103182899 PLMJLMZKOACSHB-UHFFFAOYSA-N 399.756 4.331 0 1 GIAF Nc1ccccc1NC(=O)CCCCCNC(=O)c1ccc(C(F)F)cc1 117584015 ITNOECMATJLCPR-UHFFFAOYSA-N 375.419 4.135 0 1 GIAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2cc(F)cc(Br)c2[nH]1 587042219 KAXJXFIDJSGEOA-LLVKDONJSA-N 386.290 4.085 0 1 GIAF O=C1c2ccccc2-c2cc(Cn3cc(Br)cn3)nc3cccc1c23 587100843 AXBXLWUZBMLCFL-UHFFFAOYSA-N 390.240 4.454 0 1 GIAF C[C@@]1(c2nc3cc(F)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174722 RSLBEJXJKDLXTD-KRWDZBQOSA-N 393.187 4.232 0 1 GIAF C[C@@]1(c2nc3cccc(OC(F)(F)F)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175505 ZINBCUAPFLJFDB-KRWDZBQOSA-N 380.297 4.229 0 1 GIAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc3ccccc3cc2[nH]1 587259734 KTGBASDVFODTAI-IBGZPJMESA-N 388.471 4.423 0 1 GIAF Cc1cc(Cl)cc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c12 587260125 QUGPAAREQSOHPA-INIZCTEOSA-N 386.883 4.231 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(-c3ccccc3OC)c1)CC2=O 587479558 ZUEPLMXWLJXBSX-QHCPKHFHSA-N 392.455 4.420 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Br)nc1 587548114 SCICKUNQDMUKKF-APWZRJJASA-N 398.212 4.253 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCNc1nc(Cl)ccc12 587551725 IXUKFFHTEYPPEY-DYESRHJHSA-N 394.814 4.113 0 1 GIAF COCC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598383 UJBBKSFSQJNCOD-REWPJTCUSA-N 376.408 4.286 0 1 GIAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)n1ncc2ccc(Cl)cc2c1=O 587651007 KMJDVWVQODUKHL-SECBINFHSA-N 397.645 4.464 0 1 GIAF CC(=O)Nc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587742380 KTZCTYRGVUGMKA-WLRWDXFRSA-N 391.284 4.479 0 1 GIAF CCc1nn(C)c(CC)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587758593 QXNBGZDQQSPWOO-MLCYQJTMSA-N 380.305 4.070 0 1 GIAF CCOC(=O)c1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)[nH]c1C 587793058 QBLOVUYQHYFXDL-XLFHBGCDSA-N 395.272 4.025 0 1 GIAF COc1ccc2c(c1)C[C@]1(C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811615 WQKFBUNCNMHOQS-WLRWDXFRSA-N 376.269 4.125 0 1 GIAF O=C(O)c1cc(O)cc(-n2c(O)cc(-c3ccc(Cl)cc3Cl)c2O)c1 587926032 JVIACWHFZSDSRR-UHFFFAOYSA-N 380.183 4.266 0 1 GIAF COc1cc2nc(-c3ccc(-c4ccc(OC)c(OC)c4)cc3O)[nH]c2cn1 587927588 RTEYZSZPPQKMRE-UHFFFAOYSA-N 377.400 4.023 0 1 GIAF Cc1ncc2c(n1)CCC[C@]21c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962644524 RHFGVOMTVSUGJO-NVQXNPDNSA-N 396.538 4.112 0 1 GIAF CC(C)c1nn(C)c2c1[C@](C)(CC(=O)Nc1cc(Cl)ccc1Cl)NCC2 962919497 PIMWIAQKJIQLDW-IBGZPJMESA-N 395.334 4.240 0 1 GIAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2C1(CCC(N)=S)CCCCC1 963608651 LMMSKVSSMDMTTE-JLTOFOAXSA-N 376.566 4.296 0 1 GIAF CN1CCN(Cc2cn(Cc3ccccc3Br)c3ccccc23)CC1 1772583520 SJAFWTKWHYKUSP-UHFFFAOYSA-N 398.348 4.200 0 1 GIAF Cc1ccc2nnc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n2c1 1857549794 VRYXHQIQDHCELG-UHFFFAOYSA-N 388.393 4.076 0 1 GIAF COc1ccc(-c2cnc3cnc(-c4ccc(OC(F)(F)F)cc4)cn23)cn1 1857588133 CKBCAHTWJDVXOG-UHFFFAOYSA-N 386.333 4.366 0 1 GIAF C[C@@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCC(Cc2ccccc2)CC1 2356303219 NLKLLJIGIAGGGU-QGZVFWFLSA-N 390.483 4.490 0 1 GIAF 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@@](C)(O)CC(=O)O 2356450359 RAJWFJLYEVWRML-RTBVFNNKSA-N 378.553 4.232 0 1 GIAF C[C@@]1(C(=O)NCCc2c(Cl)cccc2Cl)CON=C1c1ccccc1 767452 NZPAXIIXGKLNSM-LJQANCHMSA-N 377.271 4.093 0 1 GIAF CCCCNC(=O)[C@@H]1CCCN(Cc2nc(-c3ccc(CC)cc3)oc2C)C1 5056140 SHFLUKCHRLYLOA-HXUWFJFHSA-N 383.536 4.341 0 1 GIAF O=C(c1ccccc1)c1c(O)n(O)c2cc(NC(=O)C3CCCCC3)ccc12 18087164 KTBZMJNRBAMQEU-UHFFFAOYSA-N 378.428 4.334 0 1 GIAF CCC(CC)C(=O)O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 27557902 YFKUYVLKRNYGNL-FQEVSTJZSA-N 384.863 4.435 0 1 GIAF Brc1cnn2c(NCc3ccncc3)cc(-c3ccccc3)nc12 28957141 JECHSYMSTXETFI-UHFFFAOYSA-N 380.249 4.166 0 1 GIAF in-vivo CN(C)CCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21 38411530 KSXGYXRHMMQMJD-NRFANRHFSA-N 377.536 4.179 0 1 GIAF Cc1c(C)c2ccc(OCCCOc3cc(O)cc(N(C)C)c3)cc2oc1=O 40408747 QNRVDIWYAZDPMV-UHFFFAOYSA-N 383.444 4.029 0 1 GIAF CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@](O)(c3ccccc3)CC2)cc1 43016890 ICDJUCYBESEOJP-QFIPXVFZSA-N 387.545 4.047 0 1 GIAF O=C(Nc1ccc(Br)cc1)Nc1nnc(-c2ccncc2)s1 96284274 JPMCXHWWBORMEG-UHFFFAOYSA-N 376.239 4.007 0 1 GIAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CNC[C@@H]2N3Cc2ccc3c(c2)OCO3)cc1 100108700 FORPUHREVNKSEE-MWZSMPGESA-N 398.506 4.331 0 1 GIAF CN(C)c1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 139347436 KYUQZGFTODRRPW-UHFFFAOYSA-N 381.483 4.362 0 1 GIAF CCN(CC)C(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)cc1 147817391 VSUPPOMWMPCVNY-GOTSBHOMSA-N 378.516 4.309 0 1 GIAF Cc1cccc(O)c1[C@H](CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc2c(c1)OCO2 169296749 WICRMNZBKVGVSE-GPMSIDNRSA-N 395.499 4.456 0 1 GIAF CN(CCn1cc(CNc2ccnc3cc(Cl)ccc23)nn1)c1ccccc1 473085984 ZMMMGGXHBMOYKL-UHFFFAOYSA-N 392.894 4.228 0 1 GIAF CC1=C(c2ccc3nc(-c4cccc(-c5ccccc5)c4O)[nH]c3c2)NNC(=O)C1 586897228 VWOOBYWWXVQJPW-UHFFFAOYSA-N 396.450 4.358 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(-c3sc(C4CC4)nc3C)nc2c1 587011056 BGQROJCTCFSERF-UHFFFAOYSA-N 392.278 4.421 0 1 GIAF COC(=O)c1cc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2cc1OC 587020960 DSYLQTNXDLHZCO-UHFFFAOYSA-N 379.441 4.072 0 1 GIAF Fc1cnc(Cl)c2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc12 587029195 JNQNQAUEEGRTEL-UHFFFAOYSA-N 384.827 4.272 0 1 GIAF CC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 587172762 LLZDFSAJWCOITF-UHFFFAOYSA-N 379.366 4.361 0 1 GIAF CC[C@H](c1nc2cc(C)c(C)cc2[nH]1)n1cc(I)c(C)n1 587184943 NNGDTERUULNLDY-OAHLLOKOSA-N 394.260 4.289 0 1 GIAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(C(F)(F)F)cnc2[nH]1)C(C)(C)C 587207055 ZWYSCLMDTYFMBK-LBPRGKRZSA-N 386.418 4.459 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cncc(Br)c2[nH]1 587233412 OJLQJFBIOMCGDX-ZYHUDNBSSA-N 395.301 4.271 0 1 GIAF O=C1CCc2cc3[nH]c(-c4ccc(C(=O)Nc5ccccc5)cc4)nc3cc2N1 587247098 GRUHZUXIOHYGON-UHFFFAOYSA-N 382.423 4.367 0 1 GIAF O=C(CCc1ccc(F)cc1)c1c(CO)oc2cc(Br)cnc12 587277031 ZTCKPXQECDKMFP-UHFFFAOYSA-N 378.197 4.037 0 1 GIAF CCN(CC)Cc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587427661 DUODVZPMSIPZOI-JPYJTQIMSA-N 381.472 4.034 0 1 GIAF CCOC(=O)[C@]1(c2ccc(C(C)(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443552 WFDVFYRDMCRFAP-HOYKHHGWSA-N 394.467 4.199 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnn(C2CCCC2)c1 587580342 HRQUTCQXBGDBOT-SIKLNZKXSA-N 376.412 4.407 0 1 GIAF COc1cccc(OC)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587590321 BSUFJDKTLZOULN-SIKLNZKXSA-N 378.380 4.112 0 1 GIAF C[C@]1(c2ccc3c(c2)OCCO3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606204 CHCHSAAMUJQVHW-NFBKMPQASA-N 390.391 4.040 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccn2-c2ccccc2)N1 587758486 XTEOZHANSLCOJV-SGTLLEGYSA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCN(c3ccccc3)C2)N1 587766694 HLDIYIDVULIYMR-DJJJIMSYSA-N 375.285 4.228 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cnc3ccccc3n2)N1 587779418 SEDFRRZSRUJBLH-WYRIXSBYSA-N 386.268 4.329 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CCC(=O)[C@]3(C)CC2)N1 587829631 RQMNGIJQFSMMBH-CXWAGAITSA-N 378.285 4.407 0 1 GIAF C[C@]1(CCc2c(F)cc(Cl)cc2F)N[C@H](C(=O)O)Cc2cc(F)ccc21 962896110 ABSWSBLNVNUQTL-PKOBYXMFSA-N 383.797 4.204 0 1 GIAF Fc1cccc2c1[C@](CSc1nc[nH]n1)(c1ccccc1)N1CCC[C@H]1C2 963119782 ZIUDYDPQROVUFA-UWJYYQICSA-N 380.492 4.000 0 1 GIAF Cc1cc(C)c([C@@H]2N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cn1 963180345 PWLFEMNDKGRSHD-JKSUJKDBSA-N 384.785 4.059 0 1 GIAF O=C(Nc1ccc2n[nH]cc2c1)c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1 1772600743 YGUMMXOPRCKAHH-UHFFFAOYSA-N 393.410 4.235 0 1 GIAF CCOC(=O)C1=C(C(F)(F)F)Nc2nc3ccccc3n2[C@@H]1c1ccsc1 1857590322 YYRKDMFHIYBWBF-CQSZACIVSA-N 393.390 4.492 0 1 GIAF COc1ccc2[nH]cc([C@@H]3CC(c4cc(OC)c(OC)c(OC)c4)=NO3)c2c1 1857650640 OECBJEQCZIBJAE-SFHVURJKSA-N 382.416 4.068 0 1 GIAF COc1ccc(-c2cc([C@@H](O)C[C@@H](O)CCc3ccc(Cl)cc3)no2)cc1 1857753034 OHGVZUVOVKYZJM-PXNSSMCTSA-N 387.863 4.421 0 1 GIAF Cc1ccc(CNC(=O)c2ccc3c(=O)c(O)c(-c4ccc(C)cc4)[nH]c3c2)cc1 15952300 SKXWAJCAKXURHC-UHFFFAOYSA-N 398.462 4.448 0 3 GIAF CN(C(=O)Cc1c[nH]c2ccccc12)C1(C(=O)NC2CCCCC2)CCCCC1 2457479 SQHHCTJCVFIFPV-UHFFFAOYSA-N 395.547 4.321 0 1 GIAF C[C@]12C[C@H](NC(=O)N1c1ccccc1F)c1cc(Br)ccc1O2 2498601 ICGSIBIWMNFGKA-GUYCJALGSA-N 377.213 4.358 0 1 GIAF CC(=O)O[C@H]1c2c(ccc3ccc(=O)oc23)OC(C)(C)[C@@H]1OCc1ccccc1 5858310 BZRPIFDSLPXSTO-FCHUYYIVSA-N 394.423 4.154 0 1 GIAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncc[nH]3)cc2)c1C 13437965 FNTMFRCZIVZTGK-UHFFFAOYSA-N 394.456 4.149 0 1 GIAF CCCCCCn1c(=O)cc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc21 13731392 WQCBKSDRUBLOAQ-DFNIBXOVSA-N 396.531 4.364 0 1 GIAF Cc1cccc2c1C[C@@H](C(=O)O)N(C(=O)C(c1ccccc1)c1ccccc1)C2 13731542 VNRNPNJJEINOAI-QFIPXVFZSA-N 385.463 4.165 0 1 GIAF COc1cc(-c2coc3cc(O)cc(O)c3c2=O)c(O)c(CC=C(C)C)c1OC 14648427 VLMKVYMUJPHEQB-UHFFFAOYSA-N 398.411 4.103 0 1 GIAF biogenic COc1cccc2c1-c1ccc(NS(C)(=O)=O)cc1[C@H](c1cccs1)O2 26187081 YWPNXVQAAHGWCZ-LJQANCHMSA-N 387.482 4.277 0 1 GIAF O=C(O)CCC/C=C/C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CCNC(=O)Nc1ccccc1 26496981 QDCBWGKZRZYILC-OSZQSPJESA-N 386.492 4.193 0 1 GIAF CC[C@H](C)N(C[C@@H](O)[C@H]1CCC(=O)N1Cc1ccccc1Cl)[C@H](C)CC 27710064 YNGZJSALRCLELM-WOUAJJJCSA-N 380.960 4.091 0 1 GIAF O=C(O)COc1ccc(-c2nocc3c(C(=O)c4ccccc4F)ccc2-3)cc1 28569132 UHUMXMMOSFNTBE-UHFFFAOYSA-N 391.354 4.280 0 1 GIAF O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1nccn1CCc1ccncc1 28822075 OKBDLJGOXQKXRJ-UHFFFAOYSA-N 394.784 4.445 0 1 GIAF C[C@H](CCC(=O)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 33820916 CKCMSORCKFSHLL-IVZKNIQKSA-N 392.580 4.478 0 1 GIAF CC(=O)N1CCN(Cc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)CC1 40566885 XUETZMWXHDGAOH-UHFFFAOYSA-N 391.559 4.004 0 1 GIAF O=C(Nc1ccc(C(F)(F)F)cc1)c1nscc1NCc1cccnc1 40914519 ZMAAAYBHXQWYCH-UHFFFAOYSA-N 378.379 4.421 0 1 GIAF O[C@]1(c2ccc(-c3ccc(Br)cc3)cc2)CN2CCCC[C@H]2CO1 100059773 IFRLXVCJEQULMZ-VQTJNVASSA-N 388.305 4.146 0 1 GIAF in-vitro COC(=O)[C@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-n2cccc2)cc1)C3 100950894 JMLZRLQBGATUMI-FQSRVLBLSA-N 376.500 4.154 0 1 GIAF COc1ccc(OC)c([C@@H]2CC(c3cc4ccccc4nc3C)=NN2C(C)=O)c1 103273623 XHJOJYFSEFIIPJ-QFIPXVFZSA-N 389.455 4.258 0 1 GIAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1ccc2oc(C)nc2c1 166730824 AMFCTFSJHGDBQF-KRWDZBQOSA-N 380.444 4.407 0 1 GIAF Cc1nc(Br)sc1-c1nc2c(F)cnc(Br)c2[nH]1 587010771 FWDLNUYIGKDJEO-UHFFFAOYSA-N 392.051 4.054 0 1 GIAF COc1ccc(-c2nnc(-c3ccc4nc(-c5csc(O)n5)[nH]c4c3)o2)cc1 587016984 GVXILYYOTYVODY-UHFFFAOYSA-N 391.412 4.118 0 1 GIAF COc1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2n1 587028390 XOPGKZIMMUMRCG-PVAVHDDUSA-N 396.516 4.103 0 1 GIAF Cc1nn(-c2cccc(-c3nc4c(S)nc(S)nc4[nH]3)c2)c(C)c1Cl 587065521 RGFLOANWLIPMTR-UHFFFAOYSA-N 388.909 4.053 0 1 GIAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(O)nc(=N)[nH]c2[nH]1 587071690 MMUBPIOBYPMVFU-GZXATSTBSA-N 390.274 4.144 0 1 GIAF C[C@H](c1nc2c(Cl)ncnc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128568 BPZSOWLFSMMNAO-GSVOUGTGSA-N 383.136 4.341 0 1 GIAF Fc1c(F)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(F)c(F)c1S 587133954 GBSFXSGSDWKPFO-UHFFFAOYSA-N 378.253 4.397 0 1 GIAF CN[C@@H](c1cccnc1)c1nc2cc(OCC(C)C)c(Br)cc2[nH]1 587220915 DKPUBDXDRQNHQS-KRWDZBQOSA-N 389.297 4.064 0 1 GIAF Nc1cccc(O)c1-c1nc2cc(Br)c(Br)cc2[nH]1 587249286 GKFKMCHEZUUZIQ-UHFFFAOYSA-N 383.043 4.043 0 1 GIAF C[C@@]1(c2cnc(Cl)cn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330746 OXHKNQBPUWTBQN-QUCCMNQESA-N 384.794 4.249 0 1 GIAF CCOc1ccc([C@@]2(CCC(=O)O)CC(=O)c3cc(C)cc(N)c3O2)cc1C 587401751 XTMFUYZRJVMSFF-JOCHJYFZSA-N 383.444 4.010 0 1 GIAF CCOC(=O)C[C@@]1(c2ccc(Cl)s2)CC(=O)c2cc(C)cc(N)c2O1 587412148 XMWAQMVADRSSJU-GOSISDBHSA-N 379.865 4.106 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](c1ccncc1NC(=O)C(C)(C)C)CC2=O 587471574 UBYMHGPSQPGZFF-LJQANCHMSA-N 382.460 4.431 0 1 GIAF COc1c(F)cccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554017 CKNLKWKTBWDDGI-GCJKJVERSA-N 380.371 4.417 0 1 GIAF COc1cc(F)cc(F)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554697 DVOUBDAQJCEBPQ-WIYYLYMNSA-N 384.334 4.382 0 1 GIAF CC/C=C\CCOC(=O)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594785 JBCLHIPVOBWFIV-KTUYAPFYSA-N 382.412 4.012 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C2CC2)(C(F)(F)F)N1 587704666 JHIAWXZFUJAOER-GLEZIHRCSA-N 394.206 4.249 0 1 GIAF CCO/C=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587707292 STIQFYOQHYVDPW-ZWMHNYQDSA-N 382.195 4.430 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc[nH]2)(C(F)(F)F)N1 587711149 WBUKBILGPHTRMX-RMLUDKJBSA-N 377.179 4.256 0 1 GIAF COc1cc(F)cc(F)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587723325 WYJCMEKOTRWOIW-QPFGOUBPSA-N 386.211 4.499 0 1 GIAF CCn1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C2CC2)n1 587764138 OKIABGBHAGPEPY-XTZNXHDOSA-N 378.289 4.306 0 1 GIAF CCOC(=O)[C@@H]1CCCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587800290 WRZJZZFGKLXPIV-UHYGZKCKSA-N 398.316 4.461 0 1 GIAF CC(=O)Oc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587810121 JXTPNYAGMPTRHL-MLCYQJTMSA-N 378.241 4.137 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2-c2nccs2)N1 587853203 LLQLGKMAOMZLBR-QFYYESIMSA-N 392.297 4.459 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc(O)c2ccccc2n1 587863100 QRWGXAWDJPVBTK-UHFFFAOYSA-N 386.333 4.216 0 1 GIAF COc1ccc2c(c1OC)[C@@](Cc1ncccc1C)(C(F)(F)F)N(C)[C@H](C)C2 962560538 CQVAQDPAVMJHRG-VLIAUNLRSA-N 394.437 4.284 0 1 GIAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CC(C)=O)(C(F)(F)Br)N1 962951732 USLOVIQXKHDTHL-ZBEGNZNMSA-N 385.252 4.254 0 1 GIAF Cc1ccc(-n2nc(C)c([C@H]3NCCc4nc5ccccn5c43)c2Cl)cc1 962991452 WBMXSIPYJLRSOK-LJQANCHMSA-N 377.879 4.025 0 1 GIAF CO[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1)C(C)(C)C 1772615233 GMNPDAZWOWGZNF-HXUWFJFHSA-N 399.466 4.122 0 1 GIAF COc1cc2ccc3c(c2cc1OC)C[C@H](N)[C@@H](c1cc(F)c(F)cc1F)O3 1772627156 NXPAPTOHRVIGJL-LAUBAEHRSA-N 389.373 4.278 0 1 GIAF CCc1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(CO)c34)cc2)c1 1772652726 NEXXSLYFHONHLW-UHFFFAOYSA-N 387.443 4.324 0 1 GIAF CC1=C(C(=O)OCC(F)(F)F)[C@@H](c2ccsc2)N2C(=N1)Nc1ccccc12 1857567711 UFRNYCYZDXYASF-OAHLLOKOSA-N 393.390 4.470 0 1 GIAF Cc1ccccc1C1=NN(C(=O)Cc2cccc(Cl)c2)[C@@](O)(C(F)(F)F)C1 1857751501 XOSXMPUZLBCRIU-SFHVURJKSA-N 396.796 4.078 0 1 GIAF CC(C)(C)c1ccc(CC(=O)Nc2ncn(Cc3ccc(F)c(F)c3)n2)cc1 1857763669 AVPUDFIGAQYICF-UHFFFAOYSA-N 384.430 4.083 0 1 GIAF CO[C@@H]1c2cc(C(F)(F)F)ccc2NC12CCN(CC1CCOCC1)CC2 1911576640 USJAYYOKXWVYJN-GOSISDBHSA-N 384.442 4.080 0 1 GIAF C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCN1Cc1csc2ccccc12 61896422 XAIBMKGOSBMIJK-JOCHJYFZSA-N 394.496 4.276 0 3 GIAF Cc1ccc(OCCN2CC[C@@]2(C)C(=O)NCc2cccc3ccccc23)cc1 61908575 KTPZQKDIKXNMJF-VWLOTQADSA-N 388.511 4.308 0 3 GIAF O=C1c2ccccc2-n2nnc(-c3ccccc3)c2[C@@H]2c3ccccc3CCN12 95604085 GHHLNCJUPACTPR-QFIPXVFZSA-N 378.435 4.036 0 3 GIAF CC(C)N(C[C@H](O)COc1ccc(O)cc1C(=O)CCc1ccccc1)C(C)C 13529373 JSNDCQGRLFHLCA-NRFANRHFSA-N 399.531 4.066 0 1 GIAF CN1CCN(CCOc2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 22938434 CWVSTEWDEQIXSE-UHFFFAOYSA-N 387.886 4.049 0 1 GIAF CCN(CC)C(=O)Nc1ccc2ccn(Cc3ccc(C(=O)O)cc3OC)c2c1 29479321 NUEPYIOVUBWXEQ-UHFFFAOYSA-N 395.459 4.270 0 1 GIAF O=S(=O)(c1cccc2ccccc12)c1cn([C@H]2CCNC2)c2ccccc12 49033558 QVDOCCNOCBQREJ-KRWDZBQOSA-N 376.481 4.162 0 1 GIAF O=C1Nc2ccccc2/C1=C/NCCCNc1ccnc2cc(Cl)ccc12 66123770 KZJSKZMQNIYWDZ-LGMDPLHJSA-N 378.863 4.273 0 1 GIAF Brc1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1 95605334 YYZYZNAXTPJPBW-UHFFFAOYSA-N 390.291 4.162 0 1 GIAF Brc1ccc(/C=C/c2nnc(-c3ccc4c(c3)OCCO4)o2)cc1 96269803 SCHJQHIDAWSODA-FPYGCLRLSA-N 385.217 4.441 0 1 GIAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(C(C)(C)C)n3)C2)cc1 169709260 WYKYDAQBMUHNKC-OXJNMPFZSA-N 381.520 4.234 0 1 GIAF O=C(NC[C@@H](CC1CC1)c1cnc(C(F)(F)F)nc1)c1ccccc1Cl 207684773 CYWXHUBBXYVEIN-GFCCVEGCSA-N 383.801 4.463 0 1 GIAF COc1cccc2c(NCc3ccccc3)nc([C@H]3NCc4ccccc43)nc12 208177790 XZDGFXILSGYRDZ-QFIPXVFZSA-N 382.467 4.443 0 1 GIAF O=S(=O)(c1ccc(-c2cnc(C3CC3)s2)cc1)N1CCc2ccccc21 299819045 CIMZCGNHKOTBTG-UHFFFAOYSA-N 382.510 4.439 0 1 GIAF O=C(NCc1ccsc1)N1CCCC[C@@H]1c1nc(Cc2ccccc2)no1 299824666 IHQLJRIKXLGQKY-QGZVFWFLSA-N 382.489 4.159 0 1 GIAF COc1cc(Br)c([C@H](N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC 586976616 WPCWHGNHXFWMDV-KRWDZBQOSA-N 390.281 4.008 0 1 GIAF N[C@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(Br)cc1 586998132 XPWNNMXXBFMPTP-SECBINFHSA-N 386.080 4.270 0 1 GIAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(F)c(F)c(F)c2[nH]1 587044033 XJOJPJQLASPJCO-NSHDSACASA-N 383.782 4.289 0 1 GIAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3c(C)ccnc3[nH]2)c1 587048120 DVEYJTGSNMGZOX-UHFFFAOYSA-N 399.882 4.230 0 1 GIAF Clc1ccc(-c2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)nn1 587084604 DGJDGKNIROAXNK-UHFFFAOYSA-N 386.640 4.498 0 1 GIAF CC(C)Oc1cc2[nH]c(-c3ccc(N(C)C)cn3)nc2cc1Br 587194480 GQAHPDBUDLKXON-UHFFFAOYSA-N 375.270 4.241 0 1 GIAF Cc1nc(O)c(I)cc1-c1cc2c3c(cccc3n1)CC2 587214041 VIDPQFKRPPIUGX-UHFFFAOYSA-N 388.208 4.014 0 1 GIAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccnc(Cl)c3[nH]2)c(O)c1 587239967 CSCHJKZDBDRDIE-UHFFFAOYSA-N 392.846 4.474 0 1 GIAF N=c1ncc(-c2cccc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)c2)c[nH]1 587254576 NWGXIZIKQMBUBS-UHFFFAOYSA-N 391.434 4.330 0 1 GIAF COc1ccc2c(c1)OC(C(F)(F)F)=C[C@]21CC(=O)c2cc(C)cc(N)c2O1 587384166 YFBKSZWEPWODJO-LJQANCHMSA-N 391.345 4.285 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc4ccc(Br)cc4[nH]1)[C@@H](C2)C3=O 587419845 UMOJFPQOCJAWCX-ORAYPTAESA-N 384.229 4.428 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(CC(=O)Nc1cccc(OC)c1)CC2=O 587469049 GZFUECMGKHAMJP-JOCHJYFZSA-N 383.444 4.106 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1F)CC2=O 587470730 HOLPSFSXJYRHMP-UTKZUKDTSA-N 393.455 4.028 0 1 GIAF O=Cc1ccc(OCCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 587566534 RTJVXUGJQLHWFK-UHFFFAOYSA-N 385.292 4.046 0 1 GIAF Cc1ccc([C@]2(c3ncc[nH]3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587587013 DWKOVISNIWHNNM-YKSBVNFPSA-N 398.418 4.329 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587597188 QAHZAZRBGQYXGA-XMHXVYKYSA-N 396.439 4.092 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccn(C)c2)(C(F)(F)F)N1 587709108 ICABUXSYMWOGPS-RFAUZJTJSA-N 391.206 4.267 0 1 GIAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F 587721626 PVKJUXAMOUMZCK-WNWIJWBNSA-N 386.211 4.499 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3cnn(C)c3c2)N1 587762201 XLUXUDWTWCVHIT-NSPYISDASA-N 388.284 4.273 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nn(C(C)(C)C)cc2O)N1 587763754 LZTDLGCPRZFUBS-XTZNXHDOSA-N 396.304 4.043 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC(C)(C)Cc3n[nH]cc32)N1 587795949 PGGJZBVTVKRFBV-MGNBDDOMSA-N 378.289 4.062 0 1 GIAF CCOC(=O)CC[C@@]1(C2CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587797165 LZNODIARIIUFOL-VOJFVSQTSA-N 384.289 4.071 0 1 GIAF COC(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587811955 YAZYYRJACWCLLE-WLRWDXFRSA-N 392.268 4.173 0 1 GIAF CC(C)C1=CC=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C(=O)C1 587822975 NVHQUWUCLOVVEJ-BLVKFPJESA-N 378.285 4.429 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CCC(=O)O)cc2)N1 587829691 SGKONODNWFHHDW-JEOXALJRSA-N 392.268 4.229 0 1 GIAF COc1ccc([C@@]2(c3nccs3)NCCc3c(Cl)cc(Cl)cc32)cn1 963101279 ACZUDGBUNMGGGM-GOSISDBHSA-N 392.311 4.291 0 1 GIAF CC[C@]1(C2CCCC2)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963150162 QNHCMSXHYJBQOK-LIRRHRJNSA-N 380.510 4.185 0 1 GIAF O=C1N(c2ccc([C@H]3CC[C@H](N4CCCC4)CC3)cc2F)CCC12CCNCC2 1772619146 FBLRUXANRCTTIW-KESTWPANSA-N 399.554 4.054 0 1 GIAF COc1ccc(OC)c(C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H]2CC[C@@H](O)[C@@]3(C)O)c1 2356805166 VEVBGIXZPCUVGB-WFDFPFKMSA-N 376.537 4.211 0 1 GIAF C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)[C@@H]([C@@H](O)C(F)(F)F)C[C@@]43C)[C@H]1CC[C@@H]2O 253650668 HTYHKJJOVXZDHV-LTXSBLDESA-N 388.470 4.108 0 3 GIAF O=C(c1ccc2occc2c1)N1CCC(N2C(=O)OCc3ccccc32)CC1 13441671 BTLLWMUYMPGEPK-UHFFFAOYSA-N 376.412 4.194 0 1 GIAF S=C(Nc1ccccc1)NC1CCN(CCc2c[nH]c3ccccc23)CC1 27984042 RWFZSOFILQHEDY-UHFFFAOYSA-N 378.545 4.161 0 1 GIAF CC1(C)[C@@H](c2ccc(OCCc3ccc4c(n3)NCCC4)cc2)[C@H]1CC(=O)O 28648242 FPSTULSQRYACMJ-CTNGQTDRSA-N 380.488 4.276 0 1 GIAF C[C@H]1CN(CCCCOc2ccn(-c3ccc(Cl)c(Cl)c3)n2)C[C@@H](C)O1 34641735 NWFCYGKUUJSQBC-GASCZTMLSA-N 398.334 4.447 0 1 GIAF COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc(Cl)c2Cl)cc1 40423826 DWAKJSOEJNKPME-HNNXBMFYSA-N 398.330 4.353 0 1 GIAF COc1cc(-c2nc(C=O)cc3c4ccccc4n(C)c23)cc(OC)c1OC 40950890 CBSSJGZQVPOZFK-UHFFFAOYSA-N 376.412 4.232 0 1 GIAF COc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1C 72110259 JYLAVMMCIPOMHS-UHFFFAOYSA-N 386.473 4.402 0 1 GIAF COc1ccc(-c2cc(C(=O)Nc3nc4c(s3)CCC4)c(C)o2)cc1OC 72181505 OSAUIZLYIHPXHY-UHFFFAOYSA-N 384.457 4.470 0 1 GIAF O=C(c1ccncc1)n1nc(-c2ccccc2)cc1-c1cc2ccccc2oc1=O 103189282 HUCLVLSZQHSUFQ-UHFFFAOYSA-N 393.402 4.407 0 1 GIAF CCS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1CO 115230939 MYVBLZWQBZOMQE-UHFFFAOYSA-N 397.468 4.028 0 1 GIAF CCOc1cc(C(=O)Nc2ccc(C(=O)O)cc2)cc(Cl)c1OC(C)C 116230937 PTNIHKQMCKUQCC-UHFFFAOYSA-N 377.824 4.476 0 1 GIAF C[C@H]1C(=O)CC[C@@]2(C)C1=NC[C@@H]1[C@@H]3CC[C@H](C(=O)NC(C)(C)C)[C@@]3(C)CC[C@@H]12 169714154 UGTPPIKWZTVVAM-XEKJHLJISA-N 386.580 4.420 0 1 GIAF CC(=O)O[C@@H]1C[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]2(C)[C@@H](O)C=C[C@@H]12 255262129 RCMYBWOAYFVOPI-AJDNUAHGSA-N 388.548 4.303 0 1 GIAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587015164 ZCPPYQMXODNXPE-UHFFFAOYSA-N 377.260 4.123 0 1 GIAF Fc1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1Br 587039053 BRTHVPQFNRLMGT-UONOGXRCSA-N 392.297 4.411 0 1 GIAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OC)cc1Br 587379191 ZXLDXMMHJQGEKK-MRXNPFEDSA-N 392.249 4.063 0 1 GIAF COc1cc2c3c(c1)O[C@@]1(C=COc4cc(Br)ccc41)[C@@H](C2)C3=O 587416459 BNHGMYOLCOJOJU-IFXJQAMLSA-N 385.213 4.007 0 1 GIAF COC(=O)c1cc([C@@]2(C3CCCCC3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c[nH]1 587439811 XAPUOMDQCJZYNT-UZUQRXQVSA-N 395.455 4.033 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCOc1cccc(F)c12 587573247 YMNSFPUQKCIYAC-UGKGYDQZSA-N 378.355 4.171 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ncnc2ccc(F)cc12 587658131 HNEFKRMFZSOUOH-UHFFFAOYSA-N 386.361 4.274 0 1 GIAF O=C(c1cncc2ccccc12)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659921 KLBMYNCNLKRHQG-UHFFFAOYSA-N 395.393 4.439 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3c2cnn3C)N1 587760952 RJISTLSZKXKBKH-NSPYISDASA-N 388.284 4.273 0 1 GIAF COc1ccc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c(OC)c1C 587788230 RWRVXMORKOCYCJ-UHFFFAOYSA-N 382.645 4.366 0 1 GIAF CC[C@]1(c2ccc(C(=O)O)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587826789 MACAXQGVIMKSJL-JEOXALJRSA-N 392.268 4.474 0 1 GIAF COc1ccc2c(c1OC)[C@H](c1cc(C)cc(C)c1-n1cccn1)N(C)[C@H](C)C2 962625604 JMAKFIXKAWSUQR-HXOBKFHXSA-N 391.515 4.472 0 1 GIAF C[C@@H]1CC[C@]2(c3cccc(F)c3CCN2[C@@H]2CCSC2)[C@H](n2cncn2)C1 962719683 WEPINHKXWXVEIW-NBJYBMASSA-N 386.540 4.037 0 1 GIAF Cc1cc(C)nc(SCC(=O)Nc2ccc(NCc3ccccc3)cc2)n1 1772578060 AJTRKAKJCBLJLE-UHFFFAOYSA-N 378.501 4.436 0 1 GIAF Cc1c(O)nc(=O)n(COCc2cccc(Cl)c2F)c1CC1CCCCC1 1772601479 LYPTZKRHGHBDCC-UHFFFAOYSA-N 394.874 4.347 0 1 GIAF CCN(c1ccc(NC(=O)c2c(C)noc2-c2snnc2C)cc1)C(C)C 1857542306 DRMCOLZWTPQOAS-UHFFFAOYSA-N 385.493 4.297 0 1 GIAF COc1ccc(C(=O)CSc2nccc(Nc3ccc(C(C)=O)cc3)n2)cc1 1857565930 OZDBMQGKJNKZIN-UHFFFAOYSA-N 393.468 4.406 0 1 GIAF CC[C@H]1CCCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)C1=O 1857647602 ZERAOIGILUKWOF-YOEHRIQHSA-N 386.442 4.082 0 1 GIAF CO[C@]1(CO)C[C@@]23CC[C@@H]4C(C)(C)[C@H](OC(C)=O)CC[C@@]4(C)[C@@H]2CC[C@H]1C3 2356599793 MLWZOEODCMKKCC-NPYXLNRTSA-N 378.553 4.338 0 1 GIAF O=C(Nc1ncc(Br)s1)[C@H](Cc1ccccc1)n1cccc1 5055338 PTAKBWDNPCFDBB-ZDUSSCGKSA-N 376.279 4.130 0 3 GIAF aggregator COc1cc(Cl)ccc1OCc1cc(C(=O)N[C@H]2CCc3ccccc32)no1 12298490 XORYJBDQBBZZJS-KRWDZBQOSA-N 398.846 4.333 0 3 GIAF O=C(COc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1 61959083 NUDBCJOKPRVDOA-UKILVPOCSA-N 387.479 4.455 0 3 GIAF COc1ccc(-c2noc(C)c2C(=O)NC(C)C)cc1OCc1ccccc1 776454 GDVPWRPRPVYYDO-UHFFFAOYSA-N 380.444 4.376 0 1 GIAF O=C1CN(C(=O)C2CCCCC2)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 2456430 VVHJAPVUAGHQIV-NRFANRHFSA-N 384.426 4.415 0 1 GIAF COc1cccc(C2=CC[C@H](N3CCN(c4ccccc4OC)CC3)CC2)c1 13470704 WNELYPHBVMGNQP-NRFANRHFSA-N 378.516 4.462 0 1 GIAF CCCCc1ccc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)cc1 13673886 QTKLDIPKJJAYHB-UHFFFAOYSA-N 391.471 4.263 0 1 GIAF CN1CCN(C)[C@@H](Cn2cc(C(=O)c3cccc4ccccc34)c3ccccc32)C1 22939074 CPHORMQWXVSQFN-HXUWFJFHSA-N 397.522 4.271 0 1 GIAF COc1c(C)c(O)c(/C=C(\CCCCCc2cccnc2)C(=O)O)c(C)c1O 26938955 KHMRSIZVGQIOKW-SFQUDFHCSA-N 385.460 4.389 0 1 GIAF COc1cc(NS(C)(=O)=O)ccc1Nc1c2c(nc3ccccc13)CCCC2 28756013 DYDSVAOALPTAOG-UHFFFAOYSA-N 397.500 4.237 0 1 GIAF C[C@@H](c1ccccc1)[C@H](O)/C=C/[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C/C=C\C/C=C/C(=O)O 29465721 BUFWZRKDBSESPF-GNIYQMQFSA-N 382.500 4.478 0 1 GIAF c1ccc2c(c1)N[C@@H]([C@H]1O[C@H]3CCCN3[C@@H]1[C@@H]1Nc3ccccc3S1)S2 31852382 SKSITQFSDMBHNB-WKWVNEEDSA-N 383.542 4.264 0 1 GIAF COc1cccc(-c2ccc([C@@H](O)[C@H]3[C@@H](c4ccccc4)CC(=O)N3C)s2)c1 34293356 PVEKOMSDYMMOIM-SXSPYAJSSA-N 393.508 4.472 0 1 GIAF Cc1cnc(NC(=O)N2CCN(Cc3sc4ccccc4c3C)CC2)s1 43017936 ZLJJPBXFQVWPQH-UHFFFAOYSA-N 386.546 4.324 0 1 GIAF Clc1cccc(CNc2ncnc3c2nc(C2CC2)n3C[C@H]2CCCO2)c1 82181390 NMTWLYBHGDLHFW-MRXNPFEDSA-N 383.883 4.148 0 1 GIAF COc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1 95598391 FUKOZPVZLZEMQM-UHFFFAOYSA-N 382.489 4.285 0 1 GIAF CC(=O)N(C)[C@H](C(=O)N/C=C/c1c[nH]c2c(CC=C(C)C)cccc12)C(C)C 199073018 WHFCSKJBZCDEKG-GNNUASRNSA-N 381.520 4.266 0 1 GIAF Fc1cccc(F)c1-c1cccc(CNc2cnccc2OC2CCNCC2)n1 299818569 BACDVSQDOPKJRZ-UHFFFAOYSA-N 396.441 4.165 0 1 GIAF O=C(O)c1cc(Br)cc2nc(CCCCc3cccc(O)c3)[nH]c12 586896576 UPPLNLXPMSOKJW-UHFFFAOYSA-N 389.249 4.295 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586915341 CYTLASKLXZLJOG-CWTRNNRKSA-N 386.354 4.101 0 1 GIAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2ccc(Oc3ccccc3)cc2[nH]1 586960496 CJTWDOATPUZVNP-LLVKDONJSA-N 379.445 4.286 0 1 GIAF Brc1n[nH]c2ccc(-c3nc4ccnc(Br)c4[nH]3)cc12 587006575 IAKJBRSODKHTSS-UHFFFAOYSA-N 393.042 4.026 0 1 GIAF Oc1c(Br)ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587018339 ZVFQNRYIARWRPN-UHFFFAOYSA-N 376.235 4.338 0 1 GIAF Clc1nc(-c2nc3nc(Br)c[nH]c-3n2)ccc1-c1ccccc1 587084073 USKVLJUUTAAQMI-UHFFFAOYSA-N 386.640 4.449 0 1 GIAF CCOc1ccccc1[C@](N)(c1nc2ccc(SC)cc2[nH]1)C(F)(F)F 587091233 CIMSJIFRIQCCHU-KRWDZBQOSA-N 381.423 4.448 0 1 GIAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccc(C(N)=O)c2[nH]1 587122071 PJSLYZZUDXTPAS-UHFFFAOYSA-N 386.333 4.084 0 1 GIAF Cc1ccc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1Cl 587276668 QGGQSZQYPRFBLY-UHFFFAOYSA-N 380.625 4.275 0 1 GIAF CCOC(=O)C[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587348229 NCYMMBNPQCXRCE-IRLDBZIGSA-N 386.419 4.238 0 1 GIAF Oc1nc(O)c2cc(CCc3ccccc3)c(Cc3ccc(Cl)cc3)nc2n1 587369111 VHRDAOLAOPSTRX-UHFFFAOYSA-N 391.858 4.465 0 1 GIAF COC(=O)c1ccc(-c2ncccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587393330 GFBPAUKWFBEZJP-FQEVSTJZSA-N 388.423 4.132 0 1 GIAF COc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(Br)c1 587414414 VEAJRXOAZRHNCU-AUUYWEPGSA-N 389.245 4.129 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cc4cc(Br)cnc4o1)[C@@H](C2)C3=O 587419110 WXGJXLJFCKRDJJ-SJCJKPOMSA-N 386.201 4.088 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1cc(C)cc(Br)c1F)[C@@H](C2)C3=O 587424359 NPPZJHCIMBUQCS-SGTLLEGYSA-N 377.209 4.394 0 1 GIAF COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4N[C@H]1c1ccccc1)[C@@H](C2)C3=O 587440718 QCYARLARYOYWMM-VVMVZBAXSA-N 397.430 4.231 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)Nc2c(Cl)ccc(Cl)c21 587463274 VDAVDXBRWOLRPF-IBGZPJMESA-N 392.238 4.464 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCN(c3ccc(C(=O)O)cc3)CC1)CC2=O 587476546 VLJBTBKOPWMAGP-UHFFFAOYSA-N 395.455 4.047 0 1 GIAF Cc1ccccc1[C@]1(CN2CCOCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587518593 LSWGUUMANDYGKL-RUZDIDTESA-N 391.511 4.067 0 1 GIAF C=C1C=C(C)n2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc2N1 587586188 JEWBENDIVCEXIV-WIYYLYMNSA-N 387.395 4.092 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)nnc2Cl)N1 587706535 QGMDFTMAOYHWSR-UANNBLPKSA-N 391.071 4.309 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2C(c2cccnc2)(c2cccnc2)N1 587773125 IDVQJDRLBBGWOO-CYBMUJFWSA-N 398.279 4.204 0 1 GIAF CCOC(=O)c1[nH]c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587789750 FYFHHDHORVVCLR-BMLIUANNSA-N 395.272 4.025 0 1 GIAF CCOCc1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587852569 HIIIUBNDIYNUHW-XXFAHNHDSA-N 385.302 4.205 0 1 GIAF O=c1cc(Cn2cnc(-c3ccccc3)c2)nc2scc(-c3ccccc3)n12 621431171 WXCPXIKZADNDMQ-UHFFFAOYSA-N 384.464 4.335 0 1 GIAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4csc(-n5ccnc5)n4)cc32)[nH]1 653684771 ODIQDYXNHQHVPQ-SXGWCWSVSA-N 387.468 4.433 0 1 GIAF COc1ccc([C@@H](C)[C@@H](O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 653767412 LTAUJUJUDBORKL-BFUOFWGJSA-N 385.460 4.129 0 1 GIAF COc1ccc2c(=O)c(OC(=O)C(C)(C)C)c(-c3ccc4c(c3)OCO4)oc2c1 1857535200 OGROZUSTUBXVGO-UHFFFAOYSA-N 396.395 4.149 0 1 GIAF CC(=O)OCC(=CC(=O)O)CC[C@]1(C)[C@H](C)CC[C@@]2(C)C(CO)=CCC[C@@H]21 2356611257 QLAXVEYAEFYWTR-PYYHNFOQSA-N 378.509 4.112 0 1 GIAF C[C@H](NC(=O)c1cc2oc3ccccc3c2n1C)c1ccc2c(c1)OCCO2 5149888 FXAMEYVLPJCVSP-ZDUSSCGKSA-N 376.412 4.187 0 1 GIAF CCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC(C)C)[C@@H]2c1cccnc1 8584108 FBFSJAVVUJTQGO-RAOBZKRQSA-N 386.477 4.122 0 1 GIAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)[C@H](C)C3=C2[C@@H]1CC[C@@H]3[C@]1(C)CCCC(C)(C)C1 13382336 WJPVZBITVAJOKV-LUNNGWBKSA-N 376.493 4.354 0 1 GIAF biogenic O=C(NCCCN1CCN(C2CCCCC2)CC1)Nc1cccc2ccccc12 20153957 PYIDMFLSBBTOFN-UHFFFAOYSA-N 394.563 4.302 0 1 GIAF CN(CCOc1ccc(-c2ccccc2)cc1C(=O)c1cccs1)CC(=O)O 28958277 AMPNJMLWBARVGL-UHFFFAOYSA-N 395.480 4.041 0 1 GIAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)NC3CCC3)cc2)cc1 43013472 VRMVSYUYAWQPOU-GOSISDBHSA-N 398.572 4.211 0 1 GIAF CN(CC[C@@H]1CCCO1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 66166752 AQFCXIRRURWIHX-KRWDZBQOSA-N 377.444 4.031 0 1 GIAF C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccccc2)N(C(=O)Cn2ccnc2)[C@@H]1c1ccccc1 71317549 FZHGLOCDHOYYLD-PTRHGPIFSA-N 387.483 4.049 0 1 GIAF O=C(Nc1ccc(N2CCNCC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 73224553 CAIGVNVLJGDZSF-UHFFFAOYSA-N 381.863 4.262 0 1 GIAF Cc1ccccc1CNc1ncnc2c1nc(-c1ccoc1)n2C[C@@H]1CCCO1 82180239 XAOFJZLNCKWLEG-SFHVURJKSA-N 389.459 4.186 0 1 GIAF COc1cc(/C=C/c2cc(/C=C/c3ccc(O)c(OC)c3)ncn2)ccc1O 84690701 KQAZJJDYMCKICI-FCXRPNKRSA-N 376.412 4.246 0 1 GIAF O=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4nccs4)c3)cccc12 101172252 GXLBLWPNGBQINY-UHFFFAOYSA-N 390.464 4.420 0 1 GIAF Cc1cc(C)cc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)c1 142492685 FVNCEHWWPNQZTC-BJMVGYQFSA-N 392.480 4.183 0 1 GIAF CN1Cc2ccc(NC(=O)N[C@@H]3CC(C)(C)Oc4ccccc43)cc2NC1=O 143497892 NCHGWLBNVILBDV-QGZVFWFLSA-N 380.448 4.088 0 1 GIAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(CN(C)C)n1 144337676 VAJKNVLITDEBMA-UHFFFAOYSA-N 378.451 4.154 0 1 GIAF C[C@@H](c1ccc(Br)cc1)N1CCC2(CCC(C(=O)O)CC2)OC1=O 146215015 NEDWAWLPLVOMOH-DTVQEZCTSA-N 396.281 4.366 0 1 GIAF CCCN(CCC)C(=O)Cc1c2[nH]cccc-2c(=O)n1-c1ccc(Cl)cc1 169714861 VXEOUQBDROVPCS-UHFFFAOYSA-N 385.895 4.115 0 1 GIAF N=c1[nH]cc2nc(-c3oc4ccccc4c3CSc3cccs3)nc-2[nH]1 587011360 NTVFMBPVVYVTSO-UHFFFAOYSA-N 379.470 4.484 0 1 GIAF FC(F)(F)COc1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)ccn1 587091160 GCFJDBKJIHZDSR-UHFFFAOYSA-N 377.244 4.465 0 1 GIAF O=S(=O)(O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587113254 UQWFYIOUIZTOKJ-UHFFFAOYSA-N 393.346 4.044 0 1 GIAF O=C(c1nc2nc(Br)ccc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133542 RRAXHLJOPSIAMD-UHFFFAOYSA-N 389.011 4.397 0 1 GIAF COc1cc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)nn1-c1ccccc1F 587155336 DTPNKEXANNQQAE-UHFFFAOYSA-N 392.312 4.462 0 1 GIAF Fc1ccc(-n2nnc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)c2C2CC2)cc1 587167749 CBPXVQDPMLIFCR-UHFFFAOYSA-N 391.303 4.384 0 1 GIAF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587224945 LJBDYLGERFNVKE-SNVBAGLBSA-N 397.784 4.319 0 1 GIAF C[C@@]1(c2cc(C(=O)O)co2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353199 MLIZSVGMCDGFJG-RXVVDRJESA-N 382.343 4.097 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)CC1(CN(C(c3ccccc3)c3ccccc3)C1)O2 587397268 ZAKXNPLHJQYSCN-UHFFFAOYSA-N 384.479 4.386 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1c(F)ccc(C)c1Br)[C@@H](C2)C3=O 587422887 GLOKALVWXIDIGQ-BBATYDOGSA-N 377.209 4.394 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(C(=O)O)c4)o1)[C@@H](C2)C3=O 587452072 CXXQOPBDYAUMQF-YCRPNKLZSA-N 376.364 4.142 0 1 GIAF CCCc1c(O)ccc2c1O[C@@H](CCc1cccc(CC(=O)OCC)c1)CC2=O 587477639 DKOXJIXOSULUBP-SFHVURJKSA-N 396.483 4.417 0 1 GIAF CCOC(=O)[C@]1(c2cc(F)ccc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587508029 XRVQCHHLAGISFM-HSZRJFAPSA-N 398.430 4.137 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)[nH]1 587548138 SGAPLVZMRALAOP-CRAIPNDOSA-N 386.201 4.186 0 1 GIAF CN(C)c1cc(F)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570033 UCRHJUZBQBIWMO-NZQKXSOJSA-N 393.414 4.474 0 1 GIAF Cc1cc2c(cc1[C@@H]1Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)OCCO2 587606844 FGSRFXXPPILYNM-REWPJTCUSA-N 390.391 4.175 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2nn(C(C)(C)C)cc2O)N1 587763755 LZTDLGCPRZFUBS-YPMLDQLKSA-N 396.304 4.043 0 1 GIAF Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnn1C(C)C 587763781 MKADGMRDDXLHCG-BBATYDOGSA-N 380.305 4.472 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccn2)(C2CC2)N1 587775390 ZSZLZNHIWKOLAA-BUXKBTBVSA-N 375.285 4.365 0 1 GIAF CCOC(=O)c1[nH]c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587794424 UWIGXDDSXCNDOL-QGHHPUGFSA-N 395.272 4.025 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@]3(C)CC(=O)C[C@@]3(C)C2)N1 587819220 UHHYPBPHWKZELL-QJJJLASOSA-N 380.301 4.487 0 1 GIAF COc1ccc(-c2cccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2)cc1 587936680 YGLLUZJBIOQTJV-UHFFFAOYSA-N 380.425 4.152 0 1 GIAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 587937892 QXNOUBZYEITKQW-VPTHRUTESA-N 397.219 4.449 0 1 GIAF CS(=O)(=O)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587954884 BURUWHOIAYPHMS-IBGZPJMESA-N 376.481 4.341 0 1 GIAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@]3(Cc4cccc5cccc3c45)N12 962632622 GULVHQWAGFAUCH-IZZNHLLZSA-N 394.474 4.286 0 1 GIAF O=C(O)C[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1Cc1ccc(Cl)c(Cl)c1)[C@@H]23 1772582634 ZPSFANSYVSFJLE-JBZZYGANSA-N 397.346 4.143 0 1 GIAF CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4n[nH]cc34)cc2)on1 1857534472 CKXLCFFHGOUTAZ-UHFFFAOYSA-N 393.407 4.075 0 1 GIAF COC(=O)CC[C@]1(C)C2=C(CC[C@@H]1[C@H](C)O)[C@@H]1CC[C@H](C(C)=O)[C@]1(C)CC2 2356558477 AYPDMGOMQQLQMP-GHIGQCFGSA-N 376.537 4.449 0 1 GIAF O=C1COCc2cc(-c3cccc(CO)c3)ccc2N1Cc1cc(F)cc(F)c1 205228959 OARUXIDGABUDMX-UHFFFAOYSA-N 395.405 4.188 0 3 GIAF C[C@H]1CCC[C@@H](NC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2cccs2)[C@@H]1C 4894200 GBUAIQSYTFUVOO-BWMZKYQQSA-N 382.529 4.386 0 1 GIAF CS/C(=N/C(=O)c1c(Cl)cccc1Cl)NNc1ccc([N+](=O)[O-])cc1 6408223 IIFSHQDWGLKUBK-UHFFFAOYSA-N 399.259 4.378 0 1 GIAF CCOc1cc(-c2cc(C(=O)O)c3c(-c4ccccc4)[nH]nc3n2)ccc1O 6733045 SJDFNBWVCURFDI-UHFFFAOYSA-N 375.384 4.094 0 1 GIAF CCCCO[C@@]1(c2ccc(Br)cc2)SC=C(C)n2c1noc2=O 13641952 OKTVHQFOSCKVJL-INIZCTEOSA-N 397.294 4.182 0 1 GIAF C[C@@]1(O)CC(=O)O[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1 13730465 ZHHBFCYFYVLXKD-VGSWGCGISA-N 394.496 4.292 0 1 GIAF c1ccc2c(c1)N[C@@H]([C@H]1O[C@@H]3CCCN3[C@@H]1[C@@H]1Nc3ccccc3S1)S2 17221685 SKSITQFSDMBHNB-LCWAXJCOSA-N 383.542 4.264 0 1 GIAF COc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCN(C)CC3)n2)cc1 28466908 CSZPORZSQGBQOX-UHFFFAOYSA-N 399.498 4.052 0 1 GIAF CCOC(=O)CCC(=O)Nc1cccc(OCc2ccc3ccccc3n2)c1 29222333 TWXWOMMQVHIHDP-UHFFFAOYSA-N 378.428 4.096 0 1 GIAF CS(=O)(=O)c1ccc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc1 49071649 XSYGBUPIFYBVBL-JOCHJYFZSA-N 376.481 4.446 0 1 GIAF Cn1cc(Nc2ncc(Br)c(Nc3ccccc3Cl)n2)cn1 63540070 LSSNCWGAWKTCBU-UHFFFAOYSA-N 379.649 4.113 0 1 GIAF COC(=O)[C@H]1[C@@H](OC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@H]2CC[C@H]1O2 100796058 IXQQMWIAXLMOHP-YSTOQKLRSA-N 388.410 4.180 0 1 GIAF Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCC[C@@H]2C)cn1 142762990 HTERIYKSTDJXFS-HNNXBMFYSA-N 377.444 4.249 0 1 GIAF Cc1cn(-c2cc3c(c(C4CCC4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2 169308159 AYDNYYSKMLWXOR-UHFFFAOYSA-N 376.500 4.494 0 1 GIAF CCCC[C@H](CC)CNc1ncc(C(=O)OCC)c2nc(-c3ccco3)nn12 299834836 UWLYAOJAQQPBDW-AWEZNQCLSA-N 385.468 4.189 0 1 GIAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C(F)(F)F)ncc2[nH]1 586916867 PFEFYJVCWXGWRY-KPZWWZAWSA-N 375.350 4.193 0 1 GIAF Clc1nccc(-c2nc3ccc(Br)nc3[nH]2)c1Br 586979477 NITSEGSYOBBWML-UHFFFAOYSA-N 388.450 4.198 0 1 GIAF N[C@@H](c1ccsc1)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587024988 HNKXCCXDRHDTII-JTQLQIEISA-N 376.201 4.454 0 1 GIAF N[C@H](c1ccsc1)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587025214 JKEIATNGKKDLDD-SNVBAGLBSA-N 376.201 4.454 0 1 GIAF CSc1ccc2nc([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)[nH]c2c1 587038347 RHGNWLMMTVWXOT-JTQLQIEISA-N 385.518 4.032 0 1 GIAF O=C1CSc2ccc(-c3nc4c(Cl)c(Br)cnc4[nH]3)cc2N1 587042751 FQVXSDOZXGFAGI-UHFFFAOYSA-N 395.669 4.085 0 1 GIAF CCN1C(=O)C[C@@H](c2nc3cc4cn[nH]c4cc3[nH]2)[C@@H]1c1ccccc1Cl 587061651 PNNCFIXPASFGFK-YJYMSZOUSA-N 379.851 4.170 0 1 GIAF Cc1ccc(-c2cc(-c3nc4c(O)ncnc4[nH]3)c3cccc(Cl)c3n2)o1 587083384 QYHRZNUZJLVJQA-UHFFFAOYSA-N 377.791 4.496 0 1 GIAF CC[C@@H](c1nc2ccc(F)c(C)c2[nH]1)n1cc(I)c(C)n1 587184548 BKMLZIQCULQFLW-ZDUSSCGKSA-N 398.223 4.119 0 1 GIAF C[C@@H](c1nc2cncnc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199505 FUFCMRWLYRZPPU-AWEZNQCLSA-N 399.454 4.295 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(Br)cc3)c1)O2 587372193 OKYIVGBKHSPECM-SFHVURJKSA-N 398.260 4.232 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1cnccn1)CC2=O 587466126 IUEKIBPOHBPNIF-QFIPXVFZSA-N 378.403 4.183 0 1 GIAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2CC[C@]1(C)C(=O)OC 587477120 FCHGNFXEAQBYNV-RPWUZVMVSA-N 394.467 4.331 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCN(C(=O)c3cccs3)CC1)CC2=O 587494224 KCFABXBKWNPJMB-UHFFFAOYSA-N 385.485 4.046 0 1 GIAF O=C(N[C@H]1CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3)OCc1ccccc1 587513275 RIFQJBFZRVQYBC-URXFXBBRSA-N 391.467 4.358 0 1 GIAF O=C1C[C@@](Cc2cc3ccccc3o2)(C(=O)O)Oc2c1ccc1c2CCCC1 587531932 IXUWCOPVGDXUAJ-QHCPKHFHSA-N 376.408 4.343 0 1 GIAF Cc1c(-c2cc(Br)ccc2O)[nH]c2ccc(S(C)(=O)=O)cc12 587649125 QMBRWZQRDGVSNK-UHFFFAOYSA-N 380.263 4.015 0 1 GIAF CC(C)Oc1ncccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587768938 FDQYJADHOYCEEV-GTNSWQLSSA-N 379.273 4.394 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)c1cccnc1-c1ncccc12 587779793 WBJVOLSKCFDCEO-LLVKDONJSA-N 396.263 4.185 0 1 GIAF CCOC(=O)[C@@H]1CC[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)C1 587798463 OLUHQLXXMNXGSM-FAKXAQORSA-N 398.316 4.317 0 1 GIAF COc1cc(OC)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587806265 HEEREHZVGANGAB-YPMLDQLKSA-N 380.257 4.229 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCC(=O)O)(c2ccccc2)N1 587826750 IYDXNVZVEKGXRK-BLVKFPJESA-N 392.268 4.231 0 1 GIAF Cc1ccc([C@]2(C3CCCC3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1C 963547243 ASYYEFNNCFGZLN-RDPSFJRHSA-N 379.500 4.350 0 1 GIAF COCC(C)(C)[C@@H]1c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963842026 UUPZWSUDQNWFGI-APWZRJJASA-N 391.508 4.345 0 1 GIAF CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3C[C@H](O)c3cccnc32)CC1 1911583263 RMBROXJQNBOWDG-IBGZPJMESA-N 398.890 4.379 0 1 GIAF CC(=O)N(C)[C@@H]1C=C2C=C[C@@H]3[C@H](CC[C@]45C(=O)O[C@@H](C)[C@@H]4CC[C@@H]35)[C@@]2(C)CC1 2356418229 CLPGEJYIOBNCEC-GHCPAKISSA-N 383.532 4.114 0 1 GIAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@](C)(O)[C@H]2COc1ccc2ccc(=O)oc2c1 5426187 KWFSFXRPFGONDD-LZFFWASXSA-N 398.499 4.344 0 1 GIAF biogenic CCOP(=O)(OCC)C(F)(F)Cc1cnc(C)c2c1COC(C)(C)O2 13214993 HQTGUIPXCRAPJO-UHFFFAOYSA-N 379.340 4.437 0 1 GIAF Cc1ccc(-c2nn(-c3cccc(C(F)(F)F)c3)cc2CC(=O)N(C)C)cc1 26578291 OLAIRXJDVPUVLY-UHFFFAOYSA-N 387.405 4.497 0 1 GIAF CC(C)[C@](O)(CC(C)(C)c1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O 28525965 MGDHDHQGYPSORD-HSZRJFAPSA-N 381.472 4.051 0 1 GIAF COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)nc3)c1C2 28954399 ZPIWAGFWLSIMFU-UHFFFAOYSA-N 385.423 4.433 0 1 GIAF CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@H]4[C@H]3CC[C@@H]12 34801311 NNVCQUGSNITOPM-PPJLCPOLSA-N 388.596 4.381 0 1 GIAF Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccccc2)c1 34819359 MAQOZLMMCLLVCX-UHFFFAOYSA-N 380.513 4.476 0 1 GIAF COc1cccc2c1CCC[C@@H]2CCC(=O)N1CCN(C2CCCCC2)CC1 45286369 HFJOSVHIASIIRD-LJQANCHMSA-N 384.564 4.372 0 1 GIAF COCCn1c(C2CCCCC2)nc2c(NCc3ccc(C)cc3)ncnc21 82179235 ZNIHEVJHQFWXEA-UHFFFAOYSA-N 379.508 4.441 0 1 GIAF O=C1CSC(N2N=C(c3ccc(Cl)c(Cl)c3)C[C@H]2c2ccco2)=N1 84670533 BISDCCJIOMSJNZ-ZDUSSCGKSA-N 380.256 4.367 0 1 GIAF CC(=O)C[C@H]1CC[C@H](CCN2CCN(c3nc(C)cc4occc34)CC2)CC1 100636949 JSSJTJNSBYKNCX-BGYRXZFFSA-N 383.536 4.434 0 1 GIAF Cc1ccc(-c2cc(C(=O)N[C@H](C)CN(C)C)cc(-c3nccs3)c2)cc1 113768450 GUVOYIJXBUCRQV-MRXNPFEDSA-N 379.529 4.465 0 1 GIAF Cc1cc(Nc2cc(C)c(C#N)c(NCCOc3ccccc3Cl)n2)n[nH]1 116699025 HELPFLHLGBGMOS-UHFFFAOYSA-N 382.855 4.181 0 1 GIAF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 139121597 RRIGGXWWSAHMHN-LQHFQCQCSA-N 376.537 4.281 0 1 GIAF COc1ccc(Nc2ncc(C(C)=O)c(Oc3cccc4c3C(=O)CC4)n2)cc1 145993050 POSYCNUBVHQTPM-UHFFFAOYSA-N 389.411 4.353 0 1 GIAF O=C(NCc1ccsc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166559577 PTEXXLYBAKRXMB-UHFFFAOYSA-N 377.469 4.226 0 1 GIAF CCCCCCN1C[C@@H](n2cc(C3CC3)nn2)[C@@H](O)C[C@@H]1c1ccc(C)cc1 169365823 JOAXJGDCRUOOCX-ZLNRFVROSA-N 382.552 4.393 0 1 GIAF C[C@]12CCC=C[C@@]1(O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O 255220058 IQRPHRMIXCXFEN-JRDOGUOFSA-N 384.516 4.162 0 1 GIAF N=C(N)c1ccc(NCCCCCCCCNc2ccc(C(=N)N)cc2)cc1 473089709 LLWHHVKATILVNJ-UHFFFAOYSA-N 380.540 4.119 0 1 GIAF CCS(=O)(=O)c1cccc(Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 586922884 UVVPJIJTIQDHDN-UHFFFAOYSA-N 386.370 4.105 0 1 GIAF Cc1nc(C2CC2)sc1-c1nc2cccc(I)c2[nH]1 587011184 DMNSJVZXRDSFJC-UHFFFAOYSA-N 381.242 4.477 0 1 GIAF COCCN1C(=O)CC[C@H](c2nc3c(C)ccnc3[nH]2)[C@H]1c1ccccc1Cl 587063115 PDGMRXOQQCBCJG-HNAYVOBHSA-N 398.894 4.013 0 1 GIAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Br)ncc2[nH]1 587233339 MJJWVMKYMQIFON-GHMZBOCLSA-N 395.301 4.271 0 1 GIAF C[C@@H]1C[C@]2(CC[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587347521 BFMIRHLBNFICKA-NRBFGLLXSA-N 384.403 4.150 0 1 GIAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(C(F)(F)F)c1OC 587381694 JSQJPGFBCUCCQU-HNNXBMFYSA-N 381.350 4.320 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(Br)cc1F)[C@@H](C2)C3=O 587425728 GVEHJKVWWYMPFL-IFXJQAMLSA-N 391.236 4.346 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(N3CCOCC3)c1)CC2=O 587475906 QSPNYWSBZRAQQM-QHCPKHFHSA-N 381.472 4.062 0 1 GIAF CCN1CCN(c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587515828 WDBLDBSRUMWYMC-DEOSSOPVSA-N 390.527 4.414 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccncc1)c1ccccn1 587586853 KKHIOAZQTGNROS-QPPBQGQZSA-N 396.402 4.088 0 1 GIAF Cc1nc2sccn2c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620518 ZHPKIYKZNSDFCP-IIBYNOLFSA-N 392.436 4.287 0 1 GIAF CC[C@@]1(c2c(C)nn(C)c2C)N[C@H](C)Cc2ccc(F)c(Br)c21 587757092 MTVCZBPUORYYBD-MGNBDDOMSA-N 380.305 4.126 0 1 GIAF COc1cccc(/C=C/C(=O)NCCC2CCN(Cc3ccccc3)CC2)c1 653858778 XIIIMLKJDCQWEW-ZHACJKMWSA-N 378.516 4.127 0 1 GIAF COc1cc2c(cc1OC)[C@](C)(c1occc1Br)N(C)[C@H](C)C2 962620443 HWQWUBVCPDDFJV-ADLMAVQZSA-N 380.282 4.199 0 1 GIAF CCCN1CCC2(CC1)NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962949174 BRJMRYRPTVUXNF-UHFFFAOYSA-N 382.470 4.058 0 1 GIAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1cn(Cc2ccc(Cl)cc2)nn1 963112035 WKQPEXIVENUOAF-WIYYLYMNSA-N 382.870 4.229 0 1 GIAF COc1ccc(Cl)c2c1CCN[C@]2(c1cccc(Cl)c1)c1ncco1 963256466 CIXRUOITCNZOPT-IBGZPJMESA-N 375.255 4.428 0 1 GIAF COc1cccc(C(=O)[C@H](CC2CCN(Cc3ccccc3)CC2)C(C)=O)c1 1772598781 CHPNWZMYUOTTSE-HSZRJFAPSA-N 379.500 4.385 0 1 GIAF COc1cc2c(cc1OC)[C@@H](O)CN[C@H]2CCc1ccc(C(F)(F)F)cc1 1857582708 NLVAXLHFIPVIGH-IRXDYDNUSA-N 381.394 4.033 0 1 GIAF CC(=O)O[C@@H]1C[C@@H]2[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]2(C)[C@@]2(C)[C@@H]1C=C[C@H]2O 2356399262 RCMYBWOAYFVOPI-QPYKRGRLSA-N 388.548 4.303 0 1 GIAF Cc1ccc2c(c1)-n1c(nc3ccc(Cl)cc3c1=O)[C@@H](CC(C)C)NC2=O 61949340 IFOUUVRZLKAFDJ-QGZVFWFLSA-N 381.863 4.178 0 3 GIAF CC[C@@H](C)[C@@H](CO)NC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 775149 QSWVDTBQNDWZOC-MLGOLLRUSA-N 388.464 4.346 0 1 GIAF COc1c(O)c(CC=C(C)C)cc2c1OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4 14613152 DFYMDQGSLUSMGL-YWZLYKJASA-N 382.412 4.248 0 1 GIAF biogenic COC(=O)[C@@]1(/C=C2\c3ccc(F)cc3[C@@H](OC)[C@@H]2C)[C@@H]2Oc3ccccc3[C@@H]21 36381671 VVOONWVRIYRRAY-MPLWKQGFSA-N 380.415 4.264 0 1 GIAF CC(C)NC(=N)c1ccc(-c2cc3ccc(C(=N)NC(C)C)cc3o2)c(O)c1 40866245 HOOJSWYGRHBOIM-UHFFFAOYSA-N 378.476 4.452 0 1 GIAF CC(C)c1ccc(OCC2[C@H]3CN(Cc4nc5ccccc5n4C)C[C@@H]23)cc1 40917269 NLLIYFVKRLKJBW-WCRBZPEASA-N 375.516 4.454 0 1 GIAF COC(=O)/C=C/c1ccc(CC[C@H](C)NC[C@@H](O)c2cccc(Cl)c2)cc1 45166932 HUEVKZQZMJKGGM-SREROZSRSA-N 387.907 4.171 0 1 GIAF NC(=O)c1c(F)ccc(OCc2nc3cc(C(F)(F)F)ccc3s2)c1F 49784540 NPAKWOSPNWMWRX-UHFFFAOYSA-N 388.317 4.271 0 1 GIAF CCN1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(Cl)cc3)N2C1=O 72117000 MMFSTZXXFVVGLA-HKUYNNGSSA-N 379.847 4.120 0 1 GIAF CC[C@H](C)c1nc2nc(N3CCC(Cc4ccccc4)CC3)ccc2[nH]c1=O 82231687 OIVJJLAPXCPSBH-INIZCTEOSA-N 376.504 4.291 0 1 GIAF O=C(N[C@@H]1CCC[C@@H](NC(=O)c2cccc(Cl)c2)C1)c1cccc(Cl)c1 95585971 HWGZRRMCVQFHPS-QZTJIDSGSA-N 391.298 4.464 0 1 GIAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2/C=C/C(=O)NC2CC2)cc1 95587135 YTNZISQQBNNUST-RTYMFESYSA-N 379.456 4.175 0 1 GIAF COc1cc(C(=O)c2c(-c3ccccn3)[nH]c3ccccc23)cc(OC)c1OC 95593585 IAAJNRDUDUIILQ-UHFFFAOYSA-N 388.423 4.487 0 1 GIAF CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(OC(F)(F)F)cc12 96273868 CZLNUDNSZPBAMO-UHFFFAOYSA-N 392.333 4.109 0 1 GIAF Fc1cc(NCn2nc(-c3ccc4c(c3)OCCO4)oc2=S)cc(F)c1F 96935187 DMMUTZFQVZJDLT-UHFFFAOYSA-N 395.362 4.131 0 1 GIAF N=c1c(Cc2ccc(Cl)c(Cl)c2)c[nH]c(=O)n1-c1ccc(Cl)cc1 101045210 WTVFRPSDTCLKQX-UHFFFAOYSA-N 380.662 4.196 0 1 GIAF CCCCOc1ccc(C[C@H](NC(=O)[C@H]2CC[C@H](C(C)C)CC2)C(=O)O)cc1 101554197 HGBMFQJSXPXALW-ZVDOUQERSA-N 389.536 4.440 0 1 GIAF CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C(Cl)=C[C@H](c4ccccc43)[C@H]2C1=O 103907973 BIUBPNDUNFZVLJ-YGBSJELFSA-N 379.843 4.208 0 1 GIAF O=C(O)c1csc(-n2nc(C3=CCCCO3)c3ccc(C(F)(F)F)cc32)n1 116404220 QGQUJSYIAIAKQI-UHFFFAOYSA-N 395.362 4.350 0 1 GIAF O=C(Nc1cc[nH]c(=O)c1)c1ccc(Cl)cc1Oc1c(F)cccc1F 143199477 VZVFDJLFHJSULP-UHFFFAOYSA-N 376.746 4.351 0 1 GIAF CCC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 169055503 LTYAWIKNOPSPBV-PUZFROQSSA-N 384.564 4.276 0 1 GIAF COc1ccc(C(=O)C[C@]2(OC)C(=O)N(C)c3c(Cl)ccc(Cl)c32)cc1 205122079 RNBAPEDZAFVIQH-LJQANCHMSA-N 394.254 4.093 0 1 GIAF C[C@H]1CC[C@H]2[C@@H](O)[C@H]3CC[C@H]4[C@H](C[C@@H]5[C@@H]4CC=C4C[C@@H](O)CC[C@@]45C)[C@H]3CN2C1 255273133 VJYPILHMXGYWKP-JHKNHVMRSA-N 399.619 4.237 0 1 GIAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4c(Cl)ncnc4[nH]3)c(F)c2)c1 587147580 UWJJUWSDLPCQQU-UHFFFAOYSA-N 398.781 4.186 0 1 GIAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cncc(Cl)c2[nH]1 587198877 UMALSOFFTWAFOU-UHFFFAOYSA-N 377.835 4.137 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nnn(Cc3ccc(Cl)cc3)c1C)O2 587377500 IYIHZHVDGMBPRF-OAQYLSRUSA-N 396.878 4.059 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cn([C@@H](C)C(=O)O)c3ccccc13)O2 587388856 BMHYGPJDNZGHPE-WHEQGISXSA-N 378.428 4.058 0 1 GIAF CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587444171 RZFZDSZPOWMBHI-OMKFPNQOSA-N 386.488 4.351 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1sc4nc(C)c(C)c(C)c4c1N)[C@@H](C2)C3=O 587449465 AQVZORAVVHJZBG-FPTDNZKUSA-N 394.496 4.475 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)nc(N3CCCCC3)n1)CC2=O 587478093 ZWAKOMUUSNFECV-FQEVSTJZSA-N 381.476 4.140 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N3CCOCC3)s1)CC2=O 587494496 MBNODSPTPCRRAN-OAQYLSRUSA-N 387.501 4.123 0 1 GIAF CCOC(=O)C(F)(F)[C@H]1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587500521 PLIKZMRBFYRYQU-XOBRGWDASA-N 378.415 4.268 0 1 GIAF Cn1cc([C@]2(C(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516346 RQWXAMORDKECGM-QHCPKHFHSA-N 375.424 4.002 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)nnc1Cl 587551876 KTHPVDCSOZQRHR-YOEHRIQHSA-N 389.194 4.192 0 1 GIAF CC(C)[C@@]1(c2ccc(F)cn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587572237 UMUFLWPUMCZXBV-KNQAVFIVSA-N 379.387 4.439 0 1 GIAF CN1C(C)(C)CC2(CC1(C)C)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581849 JHGCXKLUULLBJT-SFHVURJKSA-N 381.472 4.375 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CC1CCC2(CC1)OCCO2 587607132 GGOMBSHQWSBCHC-PMACEKPBSA-N 396.439 4.046 0 1 GIAF CCO/C=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587707579 VZWHSYIRXVQARJ-UDWPIJBLSA-N 382.195 4.430 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCOc3ccc(F)cc32)N1 587735748 UTHAFKCXDGLAFY-XTZNXHDOSA-N 380.232 4.288 0 1 GIAF Cc1ccc2nc(C)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)n2c1 587774292 LZDNPOFKMXHWCE-ADLMAVQZSA-N 388.284 4.476 0 1 GIAF CCc1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccn12 587774757 XMCGSPBGELUBGZ-JEOXALJRSA-N 388.284 4.422 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C)N[C@@H]3CCCC[C@H]32)N1 587795822 OSXVZFZVRIEHBG-YIQPKAQSSA-N 381.333 4.258 0 1 GIAF Cc1cc(C(=O)O)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587825391 HTXQRVLYRXAHOL-QGHHPUGFSA-N 378.241 4.218 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(F)cccc1Cl 587868377 LYEFDASASULYQS-UHFFFAOYSA-N 399.731 4.454 0 1 GIAF Cc1ccc(F)c([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1F 962635449 IYELJOFLJCHBRZ-XZOQPEGZSA-N 396.437 4.184 0 1 GIAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@H](c2ccc(-c3ccsc3)o2)N1 963228119 NBSLHZFUOSRSDL-PXNSSMCTSA-N 376.437 4.245 0 1 GIAF C=CC(=O)Nc1cccc(Oc2[nH]c(=Nc3cccc(CN)c3)ccc2Cl)c1 1857569542 CLEOVONGQOWYOP-UHFFFAOYSA-N 394.862 4.276 0 1 GIAF CCCC1([C@H](O)CC=C[C@@H]2[C@H](O)CC(=O)[C@@H]2CCCCCCC(=O)O)CCC1 2356656064 PAYNQYXOKJDXAV-KOUHRCEDSA-N 394.552 4.255 0 1 GIAF Oc1cccnc1COc1nn2c(-c3ccccc3)nnc2c2c1C1CCC2CC1 13610257 OQGDCKIEROUABZ-UHFFFAOYSA-N 399.454 4.226 0 1 GIAF CC(C)N1CCN(CCN2CCC(c3c[nH]c4cc(Cl)ccc34)CC2)C1=O 13731219 LSMDWDOOOHZEDU-UHFFFAOYSA-N 388.943 4.147 0 1 GIAF CCC(C)(CC)Sc1nc2cc(Cl)c(N3CCN(CCO)CC3)cc2[nH]1 29049879 WFVCETXISNWHQS-UHFFFAOYSA-N 396.988 4.001 0 1 GIAF COc1ccc(CCNc2cc(-c3ccc(C(C)=O)s3)nc(OC)n2)cc1 66101005 LRLGNTCDJDTTQE-UHFFFAOYSA-N 383.473 4.080 0 1 GIAF C[C@H](Cc1nnc(NC(=O)COc2ccc(F)cc2Cl)o1)CC(C)(C)C 66124284 RFWXOMAPNSYTBP-LLVKDONJSA-N 383.851 4.494 0 1 GIAF Cc1ccccc1-c1csc(N2CCC[C@H]2C(=O)NCc2ccccc2)n1 82192024 MFYQAHVRUPCXOG-FQEVSTJZSA-N 377.513 4.404 0 1 GIAF O=C(NCC1CC1)c1cnc(NCCc2cccc(F)c2)nc1-c1ccccc1 82214640 CUTGTKQNOAYNOU-UHFFFAOYSA-N 390.462 4.077 0 1 GIAF CC[C@@H](Nc1ncnc2[nH]cnc12)c1cc2ccccc2c(=O)n1-c1ccccc1 88345688 ZMZRPIQWTSAHJN-GOSISDBHSA-N 396.454 4.220 0 1 GIAF Cc1ccc(C)c(N2CCN(C(=O)c3oc(C)nc3-c3ccccc3F)CC2)c1 98067403 CJNKATBLVGPFSJ-UHFFFAOYSA-N 393.462 4.368 0 1 GIAF CCc1nc(N2CCN(c3ccc(Oc4ccccc4)cc3C)C[C@@H]2C)no1 103252677 VQHOVAJPGAPLNS-KRWDZBQOSA-N 378.476 4.448 0 1 GIAF NC(=O)c1ccc2[nH]c(-c3ccc([C@@H](O)c4ccc(Cl)cc4)cc3)nc2c1 116016437 ZJHFPGDWRJEXNI-LJQANCHMSA-N 377.831 4.064 0 1 GIAF c1ccc(Nc2ccc(Oc3nccnc3NCCN3CCCCC3)cc2)nc1 139196777 QHNXQDBGQQVWGT-UHFFFAOYSA-N 390.491 4.305 0 1 GIAF N[C@H]1CC[C@H](Nc2nc(Nc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1 257906178 QZQGXMDLWJNGQH-JCNLHEQBSA-N 391.523 4.367 0 1 GIAF CCN(CC)[P@](N)(=O)O[C@H](C[C@H]1NC(C)(C)C[C@H](C)O1)c1ccccc1 299809823 YTSDEBSCKWKCGY-BVWPKKSPSA-N 383.473 4.046 0 1 GIAF O=[S@@](Cc1nc2cc3c(cc2[nH]1)OCO3)C(c1ccccc1)c1ccccc1 586959810 MMZCHVOIRFQDOF-NDEPHWFRSA-N 390.464 4.330 0 1 GIAF Cc1ncc(-c2nc3ccc(Br)nc3[nH]2)c(C)c1Br 586979336 WZRPHYYBXSFIQM-UHFFFAOYSA-N 382.059 4.162 0 1 GIAF COC(=O)c1cc2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2cc1OC 587052883 RHQDVDPDPUQYFU-UHFFFAOYSA-N 381.819 4.469 0 1 GIAF COC(=O)c1cc2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc2cc1OC 587075598 JFZIZMOSBLHSLG-UHFFFAOYSA-N 396.834 4.173 0 1 GIAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587114860 XTDUKWCGWKDQRV-SNVBAGLBSA-N 384.379 4.175 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3cc(OC(C)(C)C(=O)O)ccc31)O2 587398510 DRNDZOQAPUJXQG-QHCPKHFHSA-N 395.455 4.016 0 1 GIAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC(=O)c1ccco1 587411383 ISADXYDLKWQAAN-IBGZPJMESA-N 393.395 4.105 0 1 GIAF COc1cc2c3c(c1)O[C@@H](c1coc4ccc(C(C)C)cc4c1=O)[C@@H](C2)C3=O 587452850 LZRZYWVHPOVIOS-QMHKHESXSA-N 376.408 4.414 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)nc(N3CCCC3)c1)CC2=O 587470245 FYHBFXGOSASNRH-QFIPXVFZSA-N 384.451 4.360 0 1 GIAF CN(C)c1nc(Cl)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587553247 USCQVRYWKBGLRB-XLIONFOSSA-N 396.830 4.210 0 1 GIAF CCn1cc([C@]2(CC)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587583687 WOOILHHTQOMMBS-KNQAVFIVSA-N 378.428 4.184 0 1 GIAF Cc1cccc(OCC(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587659845 FZQQVVIYEHCGCD-UHFFFAOYSA-N 388.398 4.230 0 1 GIAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1C(=S)NC1CCCCC1 587662172 WFGMNZAPKKETLF-UHFFFAOYSA-N 381.476 4.258 0 1 GIAF COc1ccc(F)c(F)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587721970 XGVVONWLTJZRQU-CQLKUDPESA-N 386.211 4.499 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(/C=C/C(=O)O)cc2)N1 587820410 ACSDGOVCCYFCSW-SDXWQHJLSA-N 390.252 4.310 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2CCC(=O)O)N1 587829219 RCPPOVJFKNBOJZ-AEDCBLDQSA-N 384.289 4.373 0 1 GIAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CNc1ccccc1F 587860672 CFCFYOORTNNNEI-UHFFFAOYSA-N 393.340 4.469 0 1 GIAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc2[nH]ccc12 587870222 YMXYSZWRYBNOCW-UHFFFAOYSA-N 386.333 4.142 0 1 GIAF COc1ccc(CCCc2nc3c(C)c(Br)cnc3[nH]2)cc1OC 587927026 QVJHMZYMKRUCPJ-UHFFFAOYSA-N 390.281 4.221 0 1 GIAF COc1ccc(CCCc2nc3ccc(Br)c(O)c3[nH]2)c(OC)c1 587929065 PBIOBTUMEYHFSX-UHFFFAOYSA-N 391.265 4.224 0 1 GIAF O=C(N[C@H](CO)c1cccc(Cl)c1)c1ccc2[nH]nc(-c3ccccc3)c2c1 653849912 UMBKGUHAJYQXKR-HXUWFJFHSA-N 391.858 4.347 0 1 GIAF COc1cc2c(cc1OC)[C@@]1(C[C@@H]2N)NCCc2cccc(-c3ccccc3)c21 962666532 MWRNOAKNNFMEMY-SQJMNOBHSA-N 386.495 4.164 0 1 GIAF COc1cc(F)cc(OC)c1[C@H]1c2cccc(Br)c2CCN1C 963281393 SEMMGPZNZMFNRO-GOSISDBHSA-N 380.257 4.183 0 1 GIAF CC(C)Nc1ncc2c(n1)CN(C(=O)CCc1ccc(Cl)cc1Cl)CC2 1772635919 KSCDIOLFKBWQRJ-UHFFFAOYSA-N 393.318 4.121 0 1 GIAF CO[C@H]1OC(=O)C(c2ccc(O)cc2)=C1Cc1ccc2c(c1)CCC(C)(C)O2 2356415649 ROKYRSDVVZPKIE-QFIPXVFZSA-N 380.440 4.021 0 1 GIAF COC(=O)C=C(C)CC[C@]1(C)[C@H](C)[C@H](OC(C)=O)C[C@]2(C)C(C)=C[C@H](O)C[C@@H]21 2356674465 JMMACFKOBKFRDJ-OHAUIGSASA-N 392.536 4.197 0 1 GIAF CSc1ccc(C(=O)[C@H]2CCCN(Cc3cccc4nccnc34)C2)cc1 59367299 KUWZAFOOZBSFHJ-SFHVURJKSA-N 377.513 4.447 0 3 GIAF COc1ccc(C[C@@H](N)c2csc(Nc3nncc4ccccc34)n2)cc1 61902592 CYLZGALWTFPKRS-QGZVFWFLSA-N 377.473 4.081 0 3 GIAF CCOc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1F 592934 LPHGSZBNJHFWKT-UHFFFAOYSA-N 394.855 4.134 0 1 GIAF CC(C)(C)c1noc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1CCCC[C@@H]1O 777199 SZKMZSZTBUJMPF-KBPBESRZSA-N 394.874 4.465 0 1 GIAF N=c1c(-c2nc3ccccc3[nH]2)cc(C(=O)c2cccs2)nn1-c1ccccc1 4473113 RHDIOIKWAASMRW-UHFFFAOYSA-N 397.463 4.188 0 1 GIAF Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nccc(-c2ccc[n+]([O-])c2)n1 28232681 GVVKCRDZWNNGEY-UHFFFAOYSA-N 397.438 4.081 0 1 GIAF COc1cc2c(cc1OC)S[C@H](C(=O)CCc1cc[n+](CC3CCC3)cc1)C2 28456842 XHRVEAIUOVPSMY-QHCPKHFHSA-N 398.548 4.010 0 1 GIAF Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(CO)ccc3o2)cc1 29049175 HQZKDABSFYZFRP-UHFFFAOYSA-N 388.423 4.313 0 1 GIAF Cc1ccc(C(=O)NC2CCCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1 40405835 NWZJBVCVSXFQRM-UHFFFAOYSA-N 376.500 4.474 0 1 GIAF O=C1CS[C@@H](c2c(F)cccc2Cl)N1c1cc(Br)ccn1 40979639 XVTXNCIFAXKCMU-AWEZNQCLSA-N 387.661 4.415 0 1 GIAF Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(c1)NC(=O)C21CCOCC1 73141274 XCPWZMWMURVARY-UHFFFAOYSA-N 389.455 4.378 0 1 GIAF CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(F)ccc2o1 84690456 UNAAMPXHSVCMMN-UHFFFAOYSA-N 383.452 4.483 0 1 GIAF C[C@]1(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2Cl)CCSC(N)=N1 141492746 NRRWRNWYWPFBKV-QGZVFWFLSA-N 395.315 4.308 0 1 GIAF COc1ccc(N2C(=O)c3[nH]nc(C(C)(C)C)c3[C@@H]2c2ccccc2OC)cc1 144634612 KMBGLBYJMAKWHP-FQEVSTJZSA-N 391.471 4.474 0 1 GIAF CC1=C(c2nc(-c3ccc(C#N)cc3)cs2)[C@H](c2ccc(O)cc2)NC(=O)N1 145419177 BENQYSGJOKEREW-IBGZPJMESA-N 388.452 4.172 0 1 GIAF COc1cc(N)c(Cl)cc1C(=O)OCC1CCN(CC2CCCCC2)CC1 299857615 FQTXEUSQQPBRJW-UHFFFAOYSA-N 394.943 4.380 0 1 GIAF O=C(Nc1ccc(C(F)(F)F)cc1)[C@H]1Cc2cc(O)nnc2-c2ccccc21 473115820 UPQCBQSXTHFTQW-INIZCTEOSA-N 385.345 4.146 0 1 GIAF CCc1ccc2nc(C[C@@H](NC(C)=O)c3ccc(Br)cc3)[nH]c2c1 586983878 ADIXJTWHVOUZTQ-QGZVFWFLSA-N 386.293 4.308 0 1 GIAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(C(C)(C)C)nc4[nH]3)cc2N1 587125058 PCSUGPSOSGHIEU-NOZJJQNGSA-N 378.402 4.426 0 1 GIAF COC(=O)c1cc(Br)c2[nH]c(-c3cc4cc(N)ccc4o3)nc2c1 587252235 UEPUFMZMARAIKJ-UHFFFAOYSA-N 386.205 4.107 0 1 GIAF O=C1CC[C@H]2C[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348546 DGCBDXYTRHNRML-YNWDNPJTSA-N 380.415 4.408 0 1 GIAF C[C@@H]1C[C@H](C(=O)O)CC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354723 RFUQGYQRRMCHCE-BOJBLLHISA-N 384.403 4.150 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(N3CCC(C)CC3)ccc1N)O2 587392845 DSOJFPXMAGPLKF-QHCPKHFHSA-N 379.504 4.276 0 1 GIAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OC(F)F)OCO3)CC2=O 587466152 MHGFTBKMVRAMPP-HNNXBMFYSA-N 392.354 4.381 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2c(cc1Cl)OCO2 587551443 FLHHTKXDQSCXJO-RXVVDRJESA-N 396.782 4.477 0 1 GIAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(OC(F)F)nc1 587557419 RNOFIKAUIOXLDX-QFBILLFUSA-N 385.322 4.092 0 1 GIAF CCOc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(O)c1 587593497 DVIALUXCBWUIOM-SIKLNZKXSA-N 378.380 4.199 0 1 GIAF O=C(O)CC[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603645 OOCOWWXFZKQKIM-OSGPJOMKSA-N 382.412 4.148 0 1 GIAF O=C(O)c1ccccc1-n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656177 HASYGNWGGBFVEJ-UHFFFAOYSA-N 378.334 4.029 0 1 GIAF O=C(CCNc1ccccc1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660244 POYSQRNWPRQBKU-UHFFFAOYSA-N 387.414 4.345 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2=COCC2)(C(F)(F)Cl)N1 587708718 ZMTSHWJVIBNXSD-RTHLEPHNSA-N 396.634 4.454 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2N(C)C)N1 587753504 HJYPTIXIRDRQPH-CWTRNNRKSA-N 377.301 4.452 0 1 GIAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587800476 XPYDWSXURYEPKH-LTWKPYLXSA-N 398.316 4.317 0 1 GIAF COc1cccc(OC)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587809296 SJHRGRAUXYAJEK-WYRIXSBYSA-N 394.284 4.403 0 1 GIAF COc1cccc2c1OCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587836337 SSWJVKKXWOUZAC-WLRWDXFRSA-N 392.268 4.157 0 1 GIAF COC(=O)c1sccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587846600 UYVLSLTXQQXFML-RMLUDKJBSA-N 384.270 4.060 0 1 GIAF Cc1nc(N(C)C)sc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587854911 UNJAVGOKUPWRHC-RMLUDKJBSA-N 384.318 4.043 0 1 GIAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(Br)nc2[nH]1 587927892 VUBXEIWTVGODFH-NSHDSACASA-N 376.254 4.280 0 1 GIAF C[C@H]1C(=O)CC[C@@H]1Cc1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587963692 QOGKHTBCEMCYKB-HTQZYQBOSA-N 391.187 4.382 0 1 GIAF COc1cccc([C@H]2NCCc3cccc(-c4ccccc4)c32)c1OCC(=O)O 962661170 DWKCRHSFZFMJJD-HSZRJFAPSA-N 389.451 4.061 0 1 GIAF C[C@@]1(Cc2ccc(O)cc2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963188663 VSQOGIIBNMOBNV-KDOFPFPSSA-N 399.796 4.121 0 1 GIAF CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3[nH]c4ccccc4c3c2)cc1 1857648018 YHOAWKRLHUZMLI-UHFFFAOYSA-N 392.480 4.045 0 1 GIAF CCOc1nc2ccc(OCCC3CCN(c4ccc(C)nn4)CC3)cc2s1 3633497 UIRJWQKTMPMJLT-UHFFFAOYSA-N 398.532 4.479 0 1 GIAF CCCCCCC1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 4215885 ZPCXAUOJBCUVFD-ILWGZMRPSA-N 398.503 4.013 0 1 GIAF COc1ccccc1[C@H]1Nn2c(nc3ccccc3c2=O)N1c1ccc(C)cc1 5596897 GOKBWHWDCUHAMG-NRFANRHFSA-N 384.439 4.108 0 1 GIAF COc1cc2occ(Oc3ccc(O)cc3O)c(=O)c2c(O)c1CC=C(C)C 15261699 NTTWTRGQDGKBGB-UHFFFAOYSA-N 384.384 4.219 0 1 GIAF biogenic O=C(CCCN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(Cl)cc1 28646928 ABTHZNIDMGCYQA-UHFFFAOYSA-N 375.875 4.020 0 1 GIAF CCSc1cc(NCc2ccccc2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29132714 ZIIIHHMJLGPTGC-UHFFFAOYSA-N 399.541 4.271 0 1 GIAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N(C)CC)nc2-c2ccccc2F)C1 82151640 WJNQUDYPTLMDIN-CVEARBPZSA-N 384.499 4.390 0 1 GIAF COC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc(-c3cccc(C(C)=O)c3)cc1)N2C 100802724 CGGKEMRCMPNIGU-CWBXHPNXSA-N 377.484 4.296 0 1 GIAF N[C@@H](CSC1(c2ccccc2)c2ccccc2CCc2ccccc21)C(=O)O 148911294 MGXXIAGFVCXNGK-QFIPXVFZSA-N 389.520 4.222 0 1 GIAF CCn1c(NC2CCCC2)nc2c(-c3cccc(C(=O)OC)c3)csc2c1=O 299835630 MEHFKIXPEUTUIO-UHFFFAOYSA-N 397.500 4.286 0 1 GIAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 586947949 IWFASIOMHDUIBP-UHFFFAOYSA-N 394.294 4.143 0 1 GIAF CC(C)Oc1cc2nc(CSc3cccc[n+]3[O-])[nH]c2cc1Br 586969756 OBSBMDFXUMIDIP-UHFFFAOYSA-N 394.294 4.038 0 1 GIAF COC(=O)c1ccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2c1 587020235 JDHQMOLMRKQSFO-UHFFFAOYSA-N 379.441 4.360 0 1 GIAF O=C(O)c1cc(Br)cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587079717 GCXHDMAJCDVLBP-CYBMUJFWSA-N 393.624 4.353 0 1 GIAF FC(Br)(Br)c1nc2cccc(Br)c2[nH]1 587088570 PAABQCHZVYKVFO-UHFFFAOYSA-N 386.844 4.195 0 1 GIAF Cc1cc(-c2nc3c(C)c(F)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124742 LSPDIMOHFKIUMV-UHFFFAOYSA-N 387.358 4.247 0 1 GIAF Cc1c(F)cc(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)cc1F 587132671 IMPHKLIELCAZCY-UHFFFAOYSA-N 376.306 4.110 0 1 GIAF CC[C@]1(c2c[nH]c(C(=O)O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347895 QLSFEVDRQISWQJ-SIKLNZKXSA-N 395.386 4.222 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc3ccccc3[nH]c1=N)(C(C)(C)C)O2 587392024 VZNXYROTLMIWHQ-HSZRJFAPSA-N 375.472 4.445 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1c(C)[nH]c3c(C)cccc3c1=O)O2 587394349 FHQJTQRHWSYHKK-DEOSSOPVSA-N 390.483 4.392 0 1 GIAF CCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1OC(F)F 587423157 RQDLNIITCMASRB-ACJLOTCBSA-N 376.355 4.184 0 1 GIAF COc1cc2c3c(c1)O[C@@](c1cc4ccccc4[nH]c1=N)(C(C)(C)C)[C@@H](C2)C3=O 587434104 RERLSOOVBACAST-FYSMJZIKSA-N 388.467 4.345 0 1 GIAF CCCc1c(O)ccc2c1O[C@](c1ccccc1F)(c1nccn1C)CC2=O 587466180 KGFAZLUBGSDESI-JOCHJYFZSA-N 380.419 4.126 0 1 GIAF O=C1C[C@@H](c2cc(O)cc(Br)c2O)Oc2c1ccc1c2CCCC1 587497626 DCTWZWVTDDAXST-KRWDZBQOSA-N 389.245 4.446 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCNc3ccc(F)cc32)N1 587736528 WEYUVDFUEQATSX-MLCYQJTMSA-N 379.248 4.321 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnn2-c2ccccc2)N1 587755616 BCJUQBRFJYDVDO-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3oc(=O)ccc3c2)N1 587837573 ISCZEIGRBJQNLE-APBUJDDRSA-N 388.236 4.318 0 1 GIAF COc1cccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)c1F 587861014 KDNOJIHRGNGVLW-UHFFFAOYSA-N 394.324 4.414 0 1 GIAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(SC)ncn1 587866236 HCSDOPHBJOBCFP-UHFFFAOYSA-N 380.395 4.469 0 1 GIAF CN1CCc2c(Br)cccc2[C@@]1(c1ccncc1)[C@@H]1CCSC1 963290729 XUZUUTBWEBTNHF-DNVCBOLYSA-N 389.362 4.329 0 1 GIAF O=C(CCc1nc2cccnc2n1Cc1ccccc1)NCC1CCCCC1 1772622138 MTKCUQVKZFPANE-UHFFFAOYSA-N 376.504 4.109 0 1 GIAF CCn1c(=O)cc(C2CC2)c2cc(-n3c(=O)cc(C)n3-c3ccccc3)ccc21 1857542790 SNHHREXQTPFCDL-UHFFFAOYSA-N 385.467 4.149 0 1 GIAF CCS(=O)(=O)Nc1cc(-c2ccccc2-c2ccccc2)cn2c(C)nnc12 1857570380 OGHCJQIKWSOFCT-UHFFFAOYSA-N 392.484 4.133 0 1 GIAF COc1cc([C@@H]2c3c(cc4c(c3OC)OCO4)C[C@@H](C)[C@H]2C)cc2c1OCO2 2356656000 NZWRYANDYKYMPU-SEDUGSJDSA-N 384.428 4.121 0 1 GIAF CC(=CCc1cc(C(=O)O)ccc1O)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356689792 YYGRLLZNBMWBAX-HXUWFJFHSA-N 376.493 4.218 0 1 GIAF C[C@H](C=CC(=O)O)[C@@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356838888 MEFHLJCGADQRRZ-RONSGEHWSA-N 388.548 4.462 0 1 GIAF CCn1ccnc1CNC(=O)c1ccc2oc(CCCc3ccccc3)nc2c1 12307384 NDEXJSJRMUWBTP-UHFFFAOYSA-N 388.471 4.150 0 3 GIAF Cc1csc(N[C@@H](C)c2nc3cc(C(F)(F)F)ccc3n2CCCO)n1 12489789 XVXDPOUUBWIXDA-NSHDSACASA-N 384.427 4.376 0 3 GIAF Cc1nnsc1C(=O)N[C@H]1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1 12836116 SPWXNXCGWJWGSB-KRWDZBQOSA-N 395.532 4.137 0 3 GIAF COc1cc(O)c([C@@H](CCN2CCCCC2)c2ccc3c(c2)OCO3)c(OC)c1 13661545 HSBWMLCASGEDSE-SFHVURJKSA-N 399.487 4.146 0 3 GIAF CC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2nc(-c3cccc(Cl)c3)oc2C)C1 5056180 BSQMXJBMOVVRAH-WMLDXEAASA-N 389.927 4.430 0 1 GIAF COc1ccc(Cl)cc1-c1cc2c(c(OC)c1)OCCN(C(=O)C1CC1)C2 12452739 WNRYYSHDCLZYEQ-UHFFFAOYSA-N 387.863 4.155 0 1 GIAF Brc1ccc([C@H]2CO[C@@](Cn3ccnc3)(c3ccccc3)O2)cc1 28768654 PKKSVUFZENJNBX-RTBURBONSA-N 385.261 4.287 0 1 GIAF O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2ccc(Cl)cc2)C1=S 40402681 BBFZPZZIOIYOBP-UHFFFAOYSA-N 393.295 4.267 0 1 GIAF CC(=O)N1N=C(Nc2nc3ccc(Cl)cc3s2)C[C@H]1c1ccc(O)cc1 45289348 PFQCSBQLNWDEGA-HNNXBMFYSA-N 386.864 4.374 0 1 GIAF COc1ccc(-n2cc(Cn3c(-c4cccc(F)c4)nc4ccccc43)nn2)cc1 45495755 UAEDQPBGVVQSQJ-UHFFFAOYSA-N 399.429 4.480 0 1 GIAF O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(-c2ccc(F)cc2)cc1 49013974 JAVRHNIQPGTLJG-UHFFFAOYSA-N 395.499 4.155 0 1 GIAF COC(=O)[C@@H]1CSc2c(C3CC3)c(Cc3cccc4ccccc34)cc(=O)n21 58541529 ROPJKDUJKDZZFL-IBGZPJMESA-N 391.492 4.290 0 1 GIAF COc1cc2c(cc1OC)CN(CCCCOc1ccc3ccccc3n1)CC2 96272354 BIYGRBQQJXIRNS-UHFFFAOYSA-N 392.499 4.469 0 1 GIAF CCCN(C(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)c1cccc(-c2ccccc2)c1 103242763 GYQLXAJSJJRBPS-FQEVSTJZSA-N 396.487 4.415 0 1 GIAF COc1ccc(C(=O)CSc2nc(C)c(C)n2Nc2ccccc2)cc1OC 103244294 PHIDDIBRSWPZIC-UHFFFAOYSA-N 397.500 4.367 0 1 GIAF CCc1ccc([C@H]2C[C@H](NC(=O)C(C)(C)C)CN(C(=O)C3CCCC3)C2)cc1 113934374 HIPFDKHTVIPUJW-SFTDATJTSA-N 384.564 4.286 0 1 GIAF O=C(NCc1ccc(CSc2nc3ccccc3o2)cc1)c1ccncc1 204983764 NISOPKXECMWXMQ-UHFFFAOYSA-N 375.453 4.445 0 1 GIAF Oc1nc(NCc2ccccc2)c2nc(CCc3cc4ccccc4o3)nc-2[nH]1 586907698 NXNPOHYALQLJLJ-UHFFFAOYSA-N 385.427 4.154 0 1 GIAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(Br)c(F)c(F)c2[nH]1 586908213 QVIFJGRJSVPFJN-ZETCQYMHSA-N 381.176 4.184 0 1 GIAF Cn1ccnc1[C@H]1CCc2c(nc3ccc(O)c4c3c2-c2ccccc2C4=O)C1 586987936 VOHQWUHBGVCQIP-ZDUSSCGKSA-N 381.435 4.158 0 1 GIAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 587041843 FYZGNXXVWWTBHY-GFCCVEGCSA-N 398.797 4.286 0 1 GIAF CCc1nccnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334690 FTWPKCYEKVFDLF-SIKLNZKXSA-N 378.403 4.158 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1c(F)cccc1Br)[C@@H](C2)C3=O 587423369 ISLXAFYBBIMWQU-VOJFVSQTSA-N 377.209 4.260 0 1 GIAF CCOC(=O)[C@H](CC(C)C)n1cccc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587432669 YXFHETFLRXRDLF-NRJQMVOHSA-N 397.471 4.136 0 1 GIAF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4c(C(=O)O)cccc41)[C@@H](C2)C3=O 587451237 QPAWTXWCXIUOOZ-UUOWRZLLSA-N 384.387 4.065 0 1 GIAF Cc1nn(C)c(OCC(F)(F)F)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587502664 APXPWMOJTMZCLE-MRXNPFEDSA-N 394.393 4.255 0 1 GIAF CC(C)(C)OC(=O)N1C(=O)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C 587517362 LZHPTZUFGSHVHE-HSZRJFAPSA-N 399.487 4.215 0 1 GIAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccn2c1C=O 587587422 MTOZTSYTACOCJK-URXFXBBRSA-N 399.402 4.469 0 1 GIAF CCc1cc(OC)c(O)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587592197 JBUURNCIMYUYDY-CVDCTZTESA-N 392.407 4.372 0 1 GIAF COc1nccc(Cl)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587695263 QRIJCDNJZCUYEN-GLEZIHRCSA-N 385.664 4.269 0 1 GIAF CC(C)N(C)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587743139 VUHQWKTUYMSVMS-BLVKFPJESA-N 392.316 4.451 0 1 GIAF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1N 587751389 YFJDWBARXFFTHU-JEOXALJRSA-N 393.300 4.367 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3cnn(C)c3c2)N1 587761459 UOAAGNTWKVYKHI-JEOXALJRSA-N 388.284 4.273 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)[C@H]1CCC[C@H]2CN(C2CC2)C1 587774159 MXUMIBKWMGQHCT-QEJZJMRPSA-N 393.344 4.212 0 1 GIAF CCOc1ccc(OCC)c(-c2nc3cc(Br)c(C)nc3[nH]2)c1 587778305 LAULJDVDZZGBFM-UHFFFAOYSA-N 376.254 4.493 0 1 GIAF CCOC(=O)C[C@@H]1CCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587792251 BDZHJLOJBBZMQI-SUFBMKPHSA-N 384.289 4.071 0 1 GIAF COc1ccc2c(c1)[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587808631 OARYKOPVUMACNN-NSPYISDASA-N 376.269 4.321 0 1 GIAF COC(=O)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850378 YRJWWICBEVWMAJ-AYVTZFPOSA-N 384.270 4.060 0 1 GIAF O=C([C@@H]1Cc2ccccc2[C@@](c2ccccc2)(C(F)(F)Cl)N1)C(F)(F)F 962731417 RNVYHZJUSFOEIN-HOCLYGCPSA-N 389.751 4.408 0 1 GIAF O=C(O)[C@@H]1C[C@H]1C(=O)c1ccc(N(Cc2ccc(Cl)cc2)CC2CC2)cn1 1772606069 PAOZWAQANPGPSX-QZTJIDSGSA-N 384.863 4.055 0 1 GIAF COc1cc(N[C@@H](C)CCCNC(=O)Nc2ccc(O)cc2)c2ncccc2c1 1772654405 CAXWXAINEKXQLG-HNNXBMFYSA-N 394.475 4.351 0 1 GIAF Fc1ccc(Nc2ncnc3cc(N4CCOCC4)c(F)cc23)cc1Cl 1857571017 UVKRJNIGLGTRQJ-UHFFFAOYSA-N 376.794 4.142 0 1 GIAF CC1CCN(C2CCN(S(=O)(=O)c3ccccc3-c3ccccc3)CC2)CC1 1857582835 WUZUQRUWKMBGRQ-UHFFFAOYSA-N 398.572 4.239 0 1 GIAF c1ccc2c(c1)cc(-c1nc3sccn3c1NC1CCCCC1)c1nnnn12 1857601567 OFTYPVSRPVGSDR-UHFFFAOYSA-N 389.488 4.398 0 1 GIAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2[C@H](O)[C@@H]2CC[C@H](OC(C)=O)[C@H](C)[C@@]12C 2356471479 PZAGHSIXBWZOQH-IPYIMDDWSA-N 390.476 4.170 0 1 GIAF COc1c2c(cc3occ(-c4ccc5c(c4)OCO5)c(=O)c13)OC(C)(C)C=C2 3978645 OKBNMQXBQLZQEM-UHFFFAOYSA-N 378.380 4.382 0 3 GIAF biogenic,in-vitro COc1ccc(-c2csc([C@](C)(NC(C)=O)c3ccc(OC)cc3)n2)cc1 61897692 FOTNYADBIRJJMW-OAQYLSRUSA-N 382.485 4.227 0 3 GIAF CC(=O)Nc1ccc(-c2cc(C(=O)O)c3c(-c4ccc(F)cc4)[nH]nc3n2)cc1 6733050 JBWYIURMGWPDFG-UHFFFAOYSA-N 390.374 4.088 0 1 GIAF Cc1cccc(C)c1-n1ncc(C(=O)O)c1C1CCN(C(=O)OC(C)(C)C)CC1 6808288 CRPQDXNIALVMKE-UHFFFAOYSA-N 399.491 4.302 0 1 GIAF CCN(CC)[C@@H]1Oc2cc3c(cc2[C@H](c2cccc(OC)c2OC)[C@H]1C)OCO3 16958620 XFZQJONSCZRGGL-ZQQNNKCXSA-N 399.487 4.261 0 1 GIAF CC(C)(C)OC(=O)[C@]1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1 26376667 QIZVCNXUAROOEI-HSZRJFAPSA-N 381.472 4.352 0 1 GIAF COc1cc(N)ccc1S(=O)(=O)Oc1c2ccccc2cc2sccc12 28826867 VEOWWVBTKHDBQG-UHFFFAOYSA-N 385.466 4.413 0 1 GIAF O=C1CSC(=O)N1CCCCCCCCNC[C@@H]1CCc2ccccc2O1 35907397 PAIJZQABGSYWKN-SFHVURJKSA-N 390.549 4.006 0 1 GIAF C[C@H]1NCCC[C@H]1C(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1 40846449 LOUYPYUMEQLFIO-VXGBXAGGSA-N 394.566 4.048 0 1 GIAF COc1ccc(CCn2c(-c3ccc(N)cc3)nc3cc(C(=O)O)ccc32)cc1 43016456 KVJKXCAZIPZMOF-UHFFFAOYSA-N 387.439 4.235 0 1 GIAF C[C@@H]1c2c[nH]nc2-c2ccc(F)cc2N1S(=O)(=O)c1ccc(Cl)cc1 45287213 HMNZAMWLAKXYLG-SNVBAGLBSA-N 377.828 4.139 0 1 GIAF c1ccc2ncc(Nc3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2c1 71329271 XAEYGKWZJMRDKC-UHFFFAOYSA-N 398.470 4.349 0 1 GIAF COc1ncc2c(Nc3cc(C)ccc3Sc3ccc(O)cc3)ncnc2n1 73296283 IUJRGSNXOFUZBV-UHFFFAOYSA-N 391.456 4.337 0 1 GIAF CSCC[C@H](Nc1nc(-c2ccc(C)cc2)cs1)C(=O)NCC(C)C 82191860 TUOIEIVZXPZAJZ-INIZCTEOSA-N 377.579 4.424 0 1 GIAF COC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc(OC)cc2)cc1)n1ccnc1 95563903 GJBWPNJVLXAJOM-HXUWFJFHSA-N 379.460 4.424 0 1 GIAF O=S(=O)(Nc1cccc(CO)c1)c1ccc(-c2ccc(Cl)cc2F)cc1 95582947 XOGMVMSNSCCFPN-UHFFFAOYSA-N 391.851 4.439 0 1 GIAF CC(=O)[C@H]1CCC[C@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)C1 96175010 BSXBVTLAKPXLCB-ROUUACIJSA-N 386.455 4.471 0 1 GIAF CCN(CC)C(=O)C[C@@H]1C[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]2(C)C1=O 299870144 NUYXZZNRVPOMFS-SZVMMIAPSA-N 383.532 4.302 0 1 GIAF in-vivo O=C(O)c1cccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587016959 GANIBBHXLZVYPD-UHFFFAOYSA-N 387.424 4.098 0 1 GIAF CCOC(=O)Cc1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1 587021497 KQNFQXNXDDABNH-UHFFFAOYSA-N 377.469 4.383 0 1 GIAF C[C@@H](F)[C@H](N)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587124358 NJOZNJKUVGBCPR-OTYXRUKQSA-N 380.345 4.192 0 1 GIAF COc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Cl 587127151 SWTYAZYUFQWAJR-FUXBKTLASA-N 385.777 4.396 0 1 GIAF COc1cc(-c2nc3ccc(CO)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143948 NWQLFJUPONVKCX-UHFFFAOYSA-N 392.386 4.235 0 1 GIAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(F)c(-n3cccn3)cc2[nH]1 587148058 YVOQAIIPOGJDNN-UHFFFAOYSA-N 394.360 4.233 0 1 GIAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c(S)nc(S)nc3[nH]2)c1 587159042 LKVQBNORXDLAHD-UHFFFAOYSA-N 394.460 4.075 0 1 GIAF CN(C)c1ncccc1-c1nc2cc(Br)c(C(F)(F)F)cc2[nH]1 587196479 WXDJHFMMDXNNSU-UHFFFAOYSA-N 385.187 4.472 0 1 GIAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c1 587242576 WMZAIPABZVIYCF-MRXNPFEDSA-N 383.408 4.006 0 1 GIAF CC(C)Oc1cc2[nH]c(-c3ccc(NC(N)=O)cc3)nc2cc1Br 587243060 CNGACQYGUWZUNO-UHFFFAOYSA-N 389.253 4.270 0 1 GIAF COC[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418181 BDCWLSXPSQSAEL-DNVCBOLYSA-N 378.346 4.003 0 1 GIAF COc1cc2c3c(c1)O[C@H](c1cn(C)nc1-c1cc4ccccc4o1)[C@@H](C2)C3=O 587430022 CUUSMOARKHHWKQ-WNSKOXEYSA-N 386.407 4.331 0 1 GIAF CCCc1c(O)ccc2c1O[C@@](C(=O)OCC)(c1ccc(C)c(F)c1)CC2=O 587465376 CSTKMJQHMUQIDP-JOCHJYFZSA-N 386.419 4.216 0 1 GIAF COc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccnc1Br 587499033 QJMDEXLEROKDES-INIZCTEOSA-N 388.261 4.438 0 1 GIAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)Nc1cccc(C(F)(F)F)c1 587650420 VEFFAQLKZXGKLI-UHFFFAOYSA-N 396.390 4.151 0 1 GIAF COc1nccc(Cl)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587695264 QRIJCDNJZCUYEN-VXJOIVPMSA-N 385.664 4.269 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)C(F)(F)F)(C2CC2)N1 587704231 IABQKLMTXDIOFG-VXJOIVPMSA-N 394.206 4.249 0 1 GIAF CCc1nn(C)c(CC)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587753587 BFUGSHPGRLZMMD-MLCYQJTMSA-N 380.305 4.070 0 1 GIAF CCc1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccn12 587769452 GGTAXWQYDDFUFO-ADLMAVQZSA-N 388.284 4.422 0 1 GIAF C[C@@H]1CC[C@]2(c3cccc(F)c3CCN2[C@@H]2CCSC2)[C@@H](n2cncn2)C1 962719686 WEPINHKXWXVEIW-RFZJPIJTSA-N 386.540 4.037 0 1 GIAF N=c1[nH]c(CCCCCOc2ccccc2)c(-c2cccc(Cl)c2)c(=N)[nH]1 1857539506 GOBDDZNTXMTQMI-UHFFFAOYSA-N 382.895 4.414 0 1 GIAF CC(=O)N[C@@H](C)/C=C/c1ccc(Oc2ccc(OCC3CC3)cc2Cl)nn1 1857756150 BYNDGTWELLDLAU-YIALFULDSA-N 387.867 4.249 0 1 GIAF CC(C)(C)c1cnnn1-c1ccc(NC(=O)c2ccc(Br)o2)cc1 3582148 ZPQSHONDOMUTEB-UHFFFAOYSA-N 389.253 4.173 0 3 GIAF COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2cccn2-c2cccnc2)C1 12449253 STOBCKHXIPHZIY-KRWDZBQOSA-N 393.462 4.115 0 3 GIAF CC[C@@H](C)[C@H](CO)NC(=O)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774708 AIAKZPLMEZOQMN-WBMJQRKESA-N 388.851 4.392 0 1 GIAF Cc1nnc2n1[C@H]1SC(Br)=C[C@H]1C(c1ccccc1Cl)=NC2 11616522 QOPLLZDCYUZSDV-BONVTDFDSA-N 395.713 4.341 0 1 GIAF in-man COc1cc(OC)c(NC(=O)NCC2(c3ccccc3)CCCC2)c(OC)c1 13833496 QSMTUEZSJKWWRO-UHFFFAOYSA-N 384.476 4.346 0 1 GIAF C[C@H]1CC[C@@H]2C(=CCCC2(C)C)[C@@]1(C)CC[C@@H](C)CC(=O)OC[C@@H](O)CO 15266719 JTMLGRLVXYZNAO-LBABBOAHSA-N 380.569 4.488 0 1 GIAF biogenic CCN(CC)C(=O)[C@@H]1CCC[C@@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26399173 GYORZCSFWWIIFC-FGXQUKBJSA-N 388.596 4.382 0 1 GIAF NCc1cccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc32)c1 34010435 IQFJZKSDDHHGJU-QHCPKHFHSA-N 397.526 4.496 0 1 GIAF CCN(Cc1cccnc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 35815010 FWZYPDLJUKHKNM-UHFFFAOYSA-N 378.316 4.420 0 1 GIAF CC(=O)CN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)[C@H](C)C1 40874908 MIXYMKFBPWKETL-GFCCVEGCSA-N 394.972 4.206 0 1 GIAF NCCCCCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 66097864 AANNUKSOCVVCRY-UHFFFAOYSA-N 381.520 4.496 0 1 GIAF Cc1ncc2sc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)nc2n1 72122937 XGPFKIMMYZLFJE-UHFFFAOYSA-N 394.422 4.461 0 1 GIAF OC[C@@H]1CCCN(CC2CCN(CC(c3ccccc3)c3ccccc3)CC2)C1 72179940 BCIFCEPRKOBVIM-HSZRJFAPSA-N 392.587 4.235 0 1 GIAF O=C1COc2ccc(-c3cc(C(F)(F)F)nn3-c3cccc(F)c3)cc2N1 82153781 YCIRKPXWAZZTKP-UHFFFAOYSA-N 377.297 4.028 0 1 GIAF CC(C)c1nc2c(NCc3cccs3)ncnc2n1CC[C@H]1CCCN1C 82178810 XNLYASWRRQAYMT-OAHLLOKOSA-N 384.553 4.108 0 1 GIAF COc1cc(Nc2nnc(-c3cc4ccccc4[nH]3)s2)cc(OC)c1OC 84654313 XQMULJXTZHFMHJ-UHFFFAOYSA-N 382.445 4.456 0 1 GIAF C[C@@H]1C(=O)CC[C@H]2[C@]1(C)[C@@H](O)C[C@@H](C)[C@]2(C)COc1ccc2ccc(=O)oc2c1 86052702 XYUJBOZUFFMPGO-XZPNRRBFSA-N 398.499 4.200 0 1 GIAF endogenous,in-man Cc1nc2sc(C(=O)NCc3ccccc3N(C)C)c(N)c2c(C)c1Cl 95594896 DXJGMJHFQFOCEG-UHFFFAOYSA-N 388.924 4.145 0 1 GIAF O=C(O)c1ccc2c(c1)/C(=C/Cn1nnc3ccccc31)c1ccccc1CO2 100882696 NEUZIEDTCYENOY-WOJGMQOQSA-N 383.407 4.154 0 1 GIAF CC(C)(C)OC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169324986 NBHMWIWFTLXHNU-LFQRWVBISA-N 375.553 4.466 0 1 GIAF O=C(c1cccc(Br)c1)c1ncccc1OCCCc1ccncc1 169327084 BIXYNZMDRRSKMV-UHFFFAOYSA-N 397.272 4.482 0 1 GIAF CCOC(=O)c1cc2c3ccccc3n(Cc3cc(OC)cc(OC)c3)c2cn1 473133190 YSCFVAOGRMBIRS-UHFFFAOYSA-N 390.439 4.432 0 1 GIAF NC(=O)c1cccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 587050311 ODPYUOYZLNVGOB-UHFFFAOYSA-N 375.815 4.462 0 1 GIAF Oc1nc2cc3[nH]c(-c4ccc(-c5ccc(Cl)cc5)nc4O)nc3cc2[nH]1 587076534 KJNPXSWLWWIBHD-UHFFFAOYSA-N 377.791 4.233 0 1 GIAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cccc(Br)c2[nH]1 587115965 HJENJGVKNJIMIZ-UHFFFAOYSA-N 379.567 4.398 0 1 GIAF C[C@]1(c2[nH]nc3ncccc23)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587348447 RYJYJSMRAHLQSR-AVRDEDQJSA-N 389.386 4.077 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Br)c(F)c1)[C@@H](C2)C3=O 587425464 CYAOYCYCCOBCQR-KPZWWZAWSA-N 377.209 4.260 0 1 GIAF C[C@@]1(c2ccc3[nH]c(O)cc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587592884 YZQUBUDICZQINP-OFNKIYASSA-N 387.391 4.456 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C[C@H]2CCCO2)N1 587752381 CNQPABZNOVXMBU-TVZGQMOCSA-N 393.300 4.192 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2-c2ccncc2)N1 587757463 VSBVNQZNSJSLFT-BLVKFPJESA-N 386.268 4.398 0 1 GIAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCC3)nc2)N1 587764544 FSKJSQCLNOXKIF-BUXKBTBVSA-N 390.300 4.207 0 1 GIAF Cc1[nH]nc2c1[C@]1(CC(C)(C)C2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587791498 GAMCULOFQQUDDT-APBUJDDRSA-N 392.316 4.370 0 1 GIAF CCOC(=O)C[C@@]1(CC2CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587793389 DTEHQEHKMGAPRW-ADLMAVQZSA-N 384.289 4.071 0 1 GIAF COc1ccc(OC)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587804714 CITRMXZZXAYPMI-MLCYQJTMSA-N 380.257 4.229 0 1 GIAF CC(=O)Oc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587813724 WSMRXXIDRRYGOY-YPMLDQLKSA-N 378.241 4.137 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1CC=C[C@H]2C[C@H](C(=O)O)C1 587826753 LPYPUSHCFLLBRK-VVNNMYOVSA-N 394.284 4.005 0 1 GIAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(C(=O)O)cs2)N1 587846147 GTHDQLPSHDAKIE-VPTHRUTESA-N 384.270 4.146 0 1 GIAF COc1ccc([C@@H]2CC(c3ccc(-n4cccc4)cc3)=NN2C(C)=O)cc1OC 653845307 BOHYVGIWNOFGRS-NRFANRHFSA-N 389.455 4.192 0 1 GIAF CC(=O)N[C@H](C)c1ccc(CN2CCc3cc(OC(F)(F)F)ccc3C2)cc1 1772628218 QQCPQXCQUPTRQB-CQSZACIVSA-N 392.421 4.341 0 1 GIAF Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@H]3N)c(Cl)c3cnnc(O)c23)c1 1857549764 YIFKWRHDBDXBPE-HUUCEWRRSA-N 398.898 4.118 0 1 GIAF C[C@@H]1CCCCc2c(O)cccc2C(=C(O)C=CC=CC=CC(=O)O)C(=O)O1 2356698138 JASBGADMEMUKAU-OAHLLOKOSA-N 384.428 4.073 0 1 GIAF O=C1CC[C@@H]2C[C@@]3(C[C@@H]4CCN1[C@@H]42)Nc1ccccc1N=C3NC1CCCCC1 61958542 CGQPZSNAOBKBFF-RWQNTZCISA-N 392.547 4.224 0 3 GIAF CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(OC)c(OC)c1 2455776 DVRGTQHPLPZZIY-UHFFFAOYSA-N 382.416 4.181 0 1 GIAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@H]([C@H](O)C(F)(F)F)C[C@@]43C)[C@@H]1CC[C@@H]2O 4804011 HTYHKJJOVXZDHV-MFZNSQMPSA-N 388.470 4.108 0 1 GIAF COc1ccc2nc3sc(C(=O)NCc4ccc5c(c4)OCO5)cc3cc2c1 4901010 KRPJRVSNLXWRHP-UHFFFAOYSA-N 392.436 4.117 0 1 GIAF Ic1cccc(O[C@@H](c2ccccc2)C2CCNCC2)c1 13530837 PKHVXHWHEHXEQU-SFHVURJKSA-N 393.268 4.411 0 1 GIAF CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@H]4[C@H]3CC[C@@H]12 34801313 NNVCQUGSNITOPM-AANOOEFXSA-N 388.596 4.381 0 1 GIAF O=C(Nc1ccccc1F)N[C@H]1N=C(C2CCCCC2)c2ccccc2NC1=O 40763970 PUROAWTVOQLDBR-HXUWFJFHSA-N 394.450 4.295 0 1 GIAF CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1ccccc1 40872538 BIKNKROBNQQGKU-OAHLLOKOSA-N 397.504 4.252 0 1 GIAF Brc1cccc(-c2c[nH]c(-c3cccc(CN4CCOCC4)c3)n2)c1 66251446 PKUXHHDYTRMJIA-UHFFFAOYSA-N 398.304 4.338 0 1 GIAF COc1cccc(-c2nc(CN3CCN(c4cccc(Cl)c4)CC3)co2)c1 72185182 KZZPRCRCJFQCNE-UHFFFAOYSA-N 383.879 4.326 0 1 GIAF Cc1c(C(=O)O)sc2ncnc(Nc3ccc(F)cc3OC[C@@H](C)F)c12 169708396 XOYQSJVAMHUQRB-MRVPVSSYSA-N 379.388 4.317 0 1 GIAF CNC(=O)c1ccc(F)c(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)c1 204756792 AOIQLUCEVDVFMD-UHFFFAOYSA-N 393.422 4.204 0 1 GIAF O=[S@]1N=C(NCCCc2ccccc2)C(Nc2cc(Cl)cc(Cl)c2)=N1 253703177 NTNQJSDPNMGSKU-VWLOTQADSA-N 395.315 4.017 0 1 GIAF C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](c3ccc(=O)oc3)CC[C@]12O 255284462 YHPFWEDUGHFFTA-PUPGICOYSA-N 384.516 4.450 0 1 GIAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 586949375 USBMCNSGXWPISQ-UHFFFAOYSA-N 393.468 4.318 0 1 GIAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2c(Cl)cnc(Cl)c2[nH]1 586971994 CVFYEQFJRZBVOF-ZDUSSCGKSA-N 395.315 4.375 0 1 GIAF Cc1nc(COc2cccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2)cs1 587020334 NSTSLUCXTSHHPO-UHFFFAOYSA-N 383.404 4.411 0 1 GIAF Clc1ccc2c(c1)C[C@@H](c1nc3cccc(I)c3[nH]1)O2 587081435 WFUPXMUBXYFXHP-ZDUSSCGKSA-N 396.615 4.497 0 1 GIAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587094890 VQTUYNMOMCHENS-GFCCVEGCSA-N 377.366 4.272 0 1 GIAF Cc1c(NC(N)=O)cccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587241114 ZMMLGQRKLVSRPB-UHFFFAOYSA-N 379.645 4.445 0 1 GIAF Oc1nc(O)c2cc3c(nc2n1)[C@@H](c1ccccc1C(F)(F)F)CCCC3 587368938 XUODGHTUQLOPIE-GFCCVEGCSA-N 375.350 4.313 0 1 GIAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1c(C)[nH]c3c(C)cccc3c1=O)O2 587394351 FHQJTQRHWSYHKK-XMMPIXPASA-N 390.483 4.392 0 1 GIAF COc1cc2c3c(c1)O[C@](C)(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587421804 MAVBTYNGQFSQRP-LIRRHRJNSA-N 376.330 4.103 0 1 GIAF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]1NC(=O)OCc1ccccc1)CC2=O 587470034 KXEBIZCQILFCAR-NFBKMPQASA-N 395.455 4.138 0 1 GIAF CCCc1c(O)ccc2c1OC1(CCN(c3nc4ccccc4o3)CC1)CC2=O 587475496 OTVXHDOBMQRGCE-UHFFFAOYSA-N 392.455 4.490 0 1 GIAF CCCc1c(O)ccc2c1O[C@](C)(COc1ccc3ccc(=O)oc3c1)CC2=O 587483409 FNGSWURGLQDNBA-QHCPKHFHSA-N 394.423 4.254 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ccc2nccn12 587551963 LUFYPFWHXVSVDF-DYESRHJHSA-N 392.798 4.396 0 1 GIAF CC(C)COc1cccc(OCc2nc3c(F)cnc(Br)c3[nH]2)c1 587566187 ZQEKVOARDIHHKW-UHFFFAOYSA-N 394.244 4.473 0 1 GIAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(-n2cccn2)c1 587584016 YJDNWKUEMBOZNJ-OFNKIYASSA-N 384.391 4.281 0 1 GIAF C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H]2CCCC[C@H]2N1 587590810 AVXISJAYPRLPQV-ZITFCPJWSA-N 379.456 4.033 0 1 GIAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H](C)NC(=O)OC(C)(C)C)N1 587751179 WUCRKPCVTLEGHG-FCHSOHFDSA-N 387.293 4.077 0 1 GIAF CCOC(=O)[C@@H]1CC[C@H](C)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587795880 JPJPQAPTXKKCTM-VIOOABJFSA-N 398.316 4.317 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2COC3(CCCCC3)O2)N1 587839316 FMOLLZOVOCUDGX-JECHBYEQSA-N 384.289 4.239 0 1 GIAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2nc3c(s2)CCC3)N1 587857969 NQMGIDREAJENCU-HUTHGQBESA-N 381.314 4.331 0 1 GIAF c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCc3cnc[nH]3)CC2)c1 618010534 YSEOLCOILBWZSR-UHFFFAOYSA-N 385.515 4.359 0 1 GIAF Cc1ccccc1CC[C@]1(C2CC2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963220963 JBYYIBWLUWDLOI-UKILVPOCSA-N 386.495 4.380 0 1 GIAF CCOc1ccc([C@@]2(C)N[C@@H](C)Cc3c(OC)ccc(OC)c32)c(F)c1F 963612586 SPQVOTXHPBXBKB-LAJNKCICSA-N 377.431 4.178 0 1 GIAF Nc1c(NC(=O)OC2CC2)ccc(NCc2ccc(C(F)(F)F)cn2)c1F 1857552508 FVIZXTKBSGKUQQ-UHFFFAOYSA-N 384.333 4.145 0 1 GIAF N[C@@H](Cc1ccc(F)cc1)c1csc(N=c2ccc(-c3ccccc3)n[nH]2)n1 1857576943 ZNSRWDSHZZHZEV-KRWDZBQOSA-N 391.475 4.147 0 1 GIAF Cc1[nH]c2c(N3CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1cccc(N)c1 1857584156 XZOBRFIDJWMLCC-UHFFFAOYSA-N 399.498 4.238 0 1 GIAF OCCCCc1cn([C@H](c2ccc(OCc3ccccc3)cc2)C2CC2)nn1 1857593379 HQGKHKHUBBWKCD-QHCPKHFHSA-N 377.488 4.172 0 1 GIAF COc1cc(-c2ccc(O)cc2)c(OC)c(OC(C)=O)c1-c1ccc(O)cc1 1857761700 HAJLWJRHKKFZSF-UHFFFAOYSA-N 380.396 4.374 0 1 GIAF CC(C)CC[C@@H]1CC[C@H](NC[C@@H]2C[C@H]([C@H](C)c3ccc(C=O)cc3)[N@]3C[C@]23O)C1 2356355077 RKXQBFQVQBLOGW-SCWDOMFXSA-N 398.591 4.190 0 1 GIAF