smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C(=O)c1cccc(Cl)c1F)C2 11785386 COJKXXXSQCIXSK-UHFFFAOYSA-N 439.940 3.210 0 1 IGAF COc1cc2c(cc1OC)Oc1c(oc3c4c(ccc3c1=O)OC(C)(C)[C@H](O)[C@@H]4O)CO2 14440871 XVIAGVPVBYPUQJ-DENIHFKCSA-N 442.420 3.060 0 1 IGAF biogenic CCc1nc2ccccc2c(=O)n1NC(=O)Nc1ccc(I)cc1 45291311 FLYHPZBTRAEENU-UHFFFAOYSA-N 434.237 3.339 0 1 IGAF Cc1c(C(=O)N2CC[C@@]3(CCN(C)C3)C2)cnn1-c1ncc2c(n1)-c1ccccc1SC2 45387935 LQWIOQJOXOTZQA-XMMPIXPASA-N 446.580 3.411 0 1 IGAF COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)NCc1ccccc1 66104686 BRHUTKWCZVNDDX-FQEVSTJZSA-N 427.501 3.124 0 1 IGAF O=C(CCC(=O)N1CCCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 73223417 FGMJZIMXFWSFAS-UHFFFAOYSA-N 429.476 3.279 0 1 IGAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1F 82150932 LSLRJNHDHBXKAJ-GQIGUUNPSA-N 439.535 3.293 0 1 IGAF CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187078 LAHCFWORLLFLDG-UHFFFAOYSA-N 434.475 3.129 0 1 IGAF CCCSc1nc(N2CCOCC2)ccc1C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 95578968 BWHZRRPXQJJVEO-CGJNBCPZSA-N 431.602 3.090 0 1 IGAF O=C(Cc1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)Cc1ccccc1 95667554 OZBOLDOUUSVTSK-IGKIAQTJSA-N 440.543 3.040 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CC2CC2)C[C@H]1C 95679960 RQRIRLWLPMSYRH-SEPYTNNBSA-N 443.588 3.251 0 1 IGAF CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@@H]13)O2 195285391 DDFQFNJRRUYFJF-GXQAHVQNSA-N 434.330 3.491 0 1 IGAF C[C@@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ncc(Oc2ccc(F)cc2)cn1 221662710 WRLFEODZWQFNLL-PBFPGSCMSA-N 440.435 3.077 0 1 IGAF O=P(O)(O)C(C[n+]1ccc(-c2cccc3c2oc2ccccc23)cc1)P(=O)(O)O 261187905 YAYNUKJBKCALNB-UHFFFAOYSA-O 434.301 3.222 0 1 IGAF CN(C)c1ccc(-c2nc3c(N4C[C@@H]5CCN(Cc6ccccc6)[C@H]5C4)ncnc3o2)cn1 261189922 YSVIIUBIAQWFIX-PMACEKPBSA-N 441.539 3.457 0 1 IGAF COc1ccc2c(c1)C(=O)c1c-2c(N2CCN(C(=O)CCN(C)C)CC2)nc2ccccc12 473120206 CHTVYFILRPMVNL-UHFFFAOYSA-N 444.535 3.055 0 1 IGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(Br)c2[nH]1 586936419 MMGUZRAHTKROHG-ZDUSSCGKSA-N 441.376 3.493 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1SCC2(CO)CO 587859465 WYCDJIUZDIEWEA-FKIZINRSSA-N 438.362 3.443 0 1 IGAF CCOC(=O)C[C@@]1(COc2ccccc2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962970361 GNIDEAPFYIJFNP-KKSFZXQISA-N 439.842 3.445 0 1 IGAF COCc1nc2c(cc1C(=O)OC)[C@@]1(NCCc3c(C(=O)O)cccc31)c1ccccc1O2 963125755 TUIASVKFZFKFLA-VWLOTQADSA-N 446.459 3.256 0 1 IGAF CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=O)CC[C@H]4[C@@H]3C(=O)C[C@H]2C1 2356312367 TXXOLQKCLTZALX-OVCQCMAMSA-N 446.540 3.211 0 1 IGAF CN1C[C@@H](NC(=O)c2ccccc2)CCC[C@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356337469 ZDVKSJGUCXZASU-RXVVDRJESA-N 443.494 3.028 0 1 IGAF O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1cccs1 13153041 KMVQWJNMUDCRIJ-FTUNRGFVSA-N 440.908 3.449 0 1 IGAF CCOCc1c(O)c2c(c3c1OC(=O)c1c(C)cc(O)c(C=O)c1O3)[C@H](OCC)OC2=O 14689478 SEQNKMKPZZTUJB-JOCHJYFZSA-N 444.392 3.286 0 1 IGAF biogenic O=C(O)c1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)[C@@H](c1ccccc1F)S2 27524852 LSLQLOXETFSCKH-LJQANCHMSA-N 429.448 3.040 0 1 IGAF CSc1ccc2c(=O)n([C@H](C)[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cnc2c1 29547526 RFVVIFXWMZRBAV-LRTDBIEQSA-N 443.479 3.137 0 1 IGAF CNC[C@@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 32016802 SOZLABVDYGGOQU-LBPRGKRZSA-N 431.414 3.152 0 1 IGAF CS(=O)(=O)N1CCc2ccc3c(C(=O)O)c(O)c(Cc4ccc(Cl)cc4)nc3c2C1 35087129 KPSXVKHUBIADNQ-UHFFFAOYSA-N 446.912 3.201 0 1 IGAF COc1ccc2cc3[n+](cc2c1NCCCN1CCOCC1)CCc1cc2c(cc1-3)OCO2 40976306 QGDGBICPAFNIPN-UHFFFAOYSA-O 448.543 3.222 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H](C)NC[C@@H]1C 95690038 DKOCUBLREHHOPE-PONJGIIJSA-N 443.519 3.172 0 1 IGAF COc1ccccc1NC(=O)C1CCC(C/N=c2/c(N3CCC(C)CC3)c(O)c2=O)CC1 103902591 AZVMLZJQNXBEFL-QLYXXIJNSA-N 439.556 3.219 0 1 IGAF C[C@H](CC[C@@H](O)CCO)[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 135610771 PBXYLMVLLSYZLN-ILLINABOSA-N 438.649 3.107 0 1 IGAF O=C(NCCO)c1ccc(OCc2c(-c3ccc(F)cc3)noc2C(F)(F)F)nc1 143894422 JVVSHHOPWMECGU-UHFFFAOYSA-N 425.338 3.196 0 1 IGAF COC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)[C@@H](O)C[C@@]4(O)[C@@H]3CC[C@@H]2C1 195094683 HLVMTJOTGLNNPR-YLXWABNASA-N 448.556 3.366 0 1 IGAF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587259215 FCCXCJHVCIXWDZ-FQEVSTJZSA-N 437.544 3.102 0 1 IGAF C[C@]1(c2cccc(S(N)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370959 ZCLNCZGHJNZJRX-RBBKRZOGSA-N 427.453 3.453 0 1 IGAF O=C(c1nnn(-c2ccc(F)cc2)c1-n1cccc1)n1ncc2ccc(Cl)cc2c1=O 587651874 QGOQZLHRZQPDCO-UHFFFAOYSA-N 434.818 3.249 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCN(C)CC3)s2)N1 587856839 ZCCOAPTYMKWZNS-GTNSWQLSSA-N 425.371 3.420 0 1 IGAF COc1ccc2c(c1)[C@H](c1cn(C)nc1CN1C(=O)c3ccccc3C1=O)N[C@@H]1CC[C@H]21 962999521 YMWVYIOXKGRSGL-FQQGMQMYSA-N 428.492 3.164 0 1 IGAF CC(C)c1nn(C)c(N(C)C)c1[C@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963137764 GGAVAHCSVIYEAH-CJNGLKHVSA-N 449.577 3.402 0 1 IGAF COCCOc1n[nH]c2cc(NC(=O)N[C@H](c3ccc(Cl)cc3)C(C)(C)O)ncc12 1772574409 HNSCJTBFQSUVQI-QGZVFWFLSA-N 433.896 3.270 0 1 IGAF Oc1nc(N2CCOCC2)nc(N[C@@H]2CCC[C@H](O)C2)c1-c1nc2ccccc2s1 1772642810 UTHLBNANUVJKKV-KGLIPLIRSA-N 427.530 3.011 0 1 IGAF CC[C@H](Nc1ncnc2c1nc(-c1cnn(CC)c1C)n2C)C(=O)N1CCC(F)(F)CC1 1857544825 FTWVQWDCMSVRMY-HNNXBMFYSA-N 446.506 3.003 0 1 IGAF Cc1ncc(COc2cc(/C=C3\SC(=O)N(C)C3=O)c(Br)cc2O)cn1 1857555290 VYESTWHTDLJBIC-TVPGTPATSA-N 436.287 3.498 0 1 IGAF C=CC(=O)Nc1ccc(Nc2ncnc3cc(OC)c(OCCN4CCOCC4)cc23)cc1 1857577603 VHCZHJHCTYDXLJ-UHFFFAOYSA-N 449.511 3.218 0 1 IGAF O=C1NC(=O)/C(=C2\CN(Cc3ccc(Cl)s3)S(=O)(=O)c3ccccc32)S1 3630159 CQBCMTOXMHGHJO-KAMYIIQDSA-N 426.928 3.300 0 1 IGAF Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccc(O)cc2)n1 13529935 OUCSIVJSDQZNMB-UHFFFAOYSA-N 448.504 3.453 0 1 IGAF CCOCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2OC)C1=O 15956479 LKBZHSFWIXKMPU-PXDATVDWSA-N 447.535 3.288 0 1 IGAF biogenic CNC(=O)COc1cccc(Nc2ncc(F)c(Nc3ccc4c(c3)[C@@H](N)CCO4)n2)c1 34376394 BONRMPSOCBJJJO-SFHVURJKSA-N 438.463 3.010 0 1 IGAF COc1cc(O)c2c(=O)c(OC)c(-c3cccc(Cl)c3OCC(=O)O)oc2c1OC 45231169 RYQBXXYMTJWYMG-UHFFFAOYSA-N 436.800 3.308 0 1 IGAF COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1coc2ccc(-c3ccccc3)cc2c1=O 71335181 IJTPGCCQUNDDDM-NRFANRHFSA-N 434.448 3.278 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3ccc(F)cc3)n2)CC1 82214905 UUSWINPMPNMCHT-IIBYNOLFSA-N 439.535 3.260 0 1 IGAF CNCOc1ccc(CC[C@@H](O)CC(=O)CCc2ccc(O)c3c2CCCO3)cc1OC 85626719 HBDDRFUHGFKXEO-LJQANCHMSA-N 443.540 3.167 0 1 IGAF biogenic,in-vitro COc1ccc([C@@H](CC(=O)O)Nc2ncnc3c2CN(c2ccc(C)cc2C#N)CC3)cn1 148181560 HVJRUCHDMRKOFD-HXUWFJFHSA-N 444.495 3.251 0 1 IGAF O=C1CC[C@H](C(=O)N2CC=C(c3ccc(NC(=O)N4Cc5ccccc5C4)cc3)CC2)N1 165960898 CFBAIIXVEUEVBN-JOCHJYFZSA-N 430.508 3.129 0 1 IGAF CC1=C[C@H](NCCCCCCN[C@@H]2C=C(C)N=C3C=CC(N)=C[C@@H]32)[C@@H]2C=C(N)C=CC2=N1 169322729 OUGMBBMDFYNOHT-CEWHCAETSA-N 432.616 3.237 0 1 IGAF COCCNS(=O)(=O)c1cccc([C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc32)c1 218715178 DDPNCQXMOMKSOR-KRWDZBQOSA-N 429.369 3.495 0 1 IGAF O=C(CC1CCC1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 261108196 HRGLDIJXNKMLQF-XUTJKUGGSA-N 426.605 3.394 0 1 IGAF CC[C@@H](C)CNC(=O)[C@H](CC(C)C)N[P@](=O)(O)CNC(=O)OCc1ccccc1 299844507 BHKZMZPMRWFXJX-AEFFLSMTSA-N 427.482 3.222 0 1 IGAF in-vitro CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1cccc(OC)c1 474609841 WBRMRRZOXGTVRG-UHFFFAOYSA-N 437.518 3.186 0 1 IGAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@@H](C)O)cc1 586939791 XAQLKPUGTVNMGV-RFAUZJTJSA-N 447.410 3.130 0 1 IGAF CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587755837 PPJUKQGKHAHYLO-ASSNKEHSSA-N 449.320 3.045 0 1 IGAF C[C@@]1(c2ccc(S(=O)(=O)NCCCC(=O)O)cc2)c2ccc(F)cc2C[C@@H]2CCCN21 963109202 UPALDQHVBMZUIP-WMZHIEFXSA-N 446.544 3.253 0 1 IGAF CCN1CCN(c2ccc(S(=O)(=O)Oc3cccc(Br)c3)cc2)C1=O 1772582521 RKDGHSXZJCHPLA-UHFFFAOYSA-N 425.304 3.479 0 1 IGAF C=CC(=O)N[C@H]1CCCC[C@H]1Nc1ncc(OCc2c(F)c(OC)cc(OC)c2F)cn1 1772653911 IGOFQHGDEGZDKJ-JKSUJKDBSA-N 448.470 3.376 0 1 IGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cc(F)c(S(N)(=O)=O)cc21 1857595533 CGSJBKFEHCYJAD-UHFFFAOYSA-N 425.485 3.127 0 1 IGAF N=c1[nH]c(CCCOc2cccc(OCC(=O)O)c2)c(-c2cccc(Cl)c2)c(=N)[nH]1 1857618566 ABYWMEUIIHLYOL-UHFFFAOYSA-N 428.876 3.097 0 1 IGAF COCCN=c1[nH]c2c(s1)C=Cc1cc(Cl)ccc1[C@H]2c1cn(C)c(=O)nc1S 1857750726 NKFRCIGMTNNXMA-INIZCTEOSA-N 446.985 3.323 0 1 IGAF Cc1ccccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 61907065 BIZIZQZYRVCDDZ-OAQYLSRUSA-N 446.956 3.176 0 3 IGAF COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@@]12C 1608488 OBSYBRPAKCASQB-RNDLHZLASA-N 432.469 3.000 0 1 IGAF COc1ccc(C2=NN(C(=O)CSc3nncn3C)[C@@H](c3ccc(F)cc3)C2)cc1 4172004 LGRGKIJKIXEVOL-LJQANCHMSA-N 425.489 3.433 0 1 IGAF Cc1cc(C(=O)NCc2nc(-c3ccccc3NC(=O)[C@@H]3CCCO3)oc2C)nc(C)n1 11975770 YWKAIXSAUOHKNQ-FQEVSTJZSA-N 435.484 3.104 0 1 IGAF COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(Cl)c[nH]3)cc2)cc1OC 26018049 XEXJIIOIDAVATL-KRWDZBQOSA-N 431.920 3.319 0 1 IGAF CN(Cc1ccc2cc(Cl)ccc2n1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1 26962480 YHNQTLRSFJOOEO-LJQANCHMSA-N 449.960 3.131 0 1 IGAF CNC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2Cl)C1 27419333 CXEQJIYVDWZCAG-UHFFFAOYSA-N 437.805 3.168 0 1 IGAF CC1(C)OC[C@@H]([C@@H]2O[C@@H](OC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 31872509 BHLPICAGQSYCKG-JGFGOLAASA-N 432.391 3.259 0 1 IGAF COc1cccc(OC)c1CNc1ncc(C(=O)N2CCOCC2)c(-c2ccccc2)n1 82132645 LJXZEPKFTGVKBH-UHFFFAOYSA-N 434.496 3.245 0 1 IGAF O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 95677112 CMUIIZXJLAYAHO-VAMGGRTRSA-N 437.968 3.457 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)NC[C@H]1C 95692446 ULFQVHHILZHREN-ZMPRRUGASA-N 443.519 3.172 0 1 IGAF O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2[C@H]1c1cc(Br)ccc1N[C@H]2CO 95878256 OOJQCAHERCLTRS-WBAXXEDZSA-N 441.322 3.127 0 1 IGAF COc1ccc(CC(=O)O)cc1-c1ccc(F)c2c1CN(C(=O)CCc1ncccn1)CC2 143966657 WOWFZUGGMHHOSG-UHFFFAOYSA-N 449.482 3.436 0 1 IGAF CCn1cc(Br)c([C@@]2(/C=C/N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587416517 CIUJXKPQWKZZHH-HXQYRECKSA-N 432.318 3.392 0 1 IGAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)NCc4ccco4)cc1)[C@@H](C2)C3=O 587451327 WZOKBAGPPAELHU-CVDCTZTESA-N 439.489 3.430 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 587800097 ZXTMWNZDWQGEIG-FVINQWEUSA-N 433.277 3.335 0 1 IGAF CC(C)CN(Cc1nc2cc(Cl)ccc2s1)[C@@H]1C(=O)NC(=O)N(CC(C)C)[C@H]1N 618015610 NIIZZZFOXJCNHW-ZWKOTPCHSA-N 437.997 3.269 0 1 IGAF CNC[C@H](Cc1ccccc1)N1CCN(CCC23CC4CC(CC(C4)C2)C3)[C@H](CO)C1 653723992 ZUAVXIUKHUGXLQ-JVLQGOASSA-N 425.661 3.402 0 1 IGAF CCOC(=O)[C@@]1(c2ccc(OC)cc2OC)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962625523 JEUIUPYMGZZWQR-IZHWHUGBSA-N 429.513 3.404 0 1 IGAF CCn1cc(-c2nc3cnc(N4CCN(C)CC4)cc3n2Cc2ccccc2)cc(C)c1=O 1772648493 ZNVWETVTURYNSC-UHFFFAOYSA-N 442.567 3.388 0 1 IGAF C[C@H](C(=O)N1CCCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3cnccn3)[C@H](C)[C@@H]2[C@@H]1O 2356310730 HATMGBOYCWBCCH-PZMQMKGLSA-N 442.604 3.047 0 1 IGAF COc1ccc(C=CC(=O)O[C@@H]2CCC(C)(C)[C@@H]3[C@H](O)C=C4CO[C@H](O)[C@H]4[C@]32C)cc1 2356621671 MMSGKHKMLLCENK-OFFSZNDLSA-N 428.525 3.328 0 1 IGAF CC[C@H](C)[C@@H]1O[C@H](C=CC=CC(=O)O)[C@H](O)[C@@]2(O)[C@@H](C(C)=C[C@H]3CC(C)=CC[C@H]32)[C@]1(C)O 2356719391 WQAFDIKVNMLDOJ-ITXWGONESA-N 446.584 3.389 0 1 IGAF CCOc1ccc(CCNC(=O)CN2CCN(Cc3ccc(F)cc3)C2=O)cc1OCC 4101548 YDNFKPMSUODLQZ-UHFFFAOYSA-N 443.519 3.220 0 3 IGAF CC[C@H](Cc1ccccc1)NC(=O)C1CCC(CNc2c(N3CCCC3)c(=O)c2=O)CC1 100998397 OVATYRKVUDLGID-XVAXZDLZSA-N 437.584 3.239 0 3 IGAF Cc1noc(C)c1CN1CCN2C(C(=O)Nc3cccc(C(F)(F)F)c3)=COC2=NC1=O 205233614 RVSXFQZEIGDVEU-UHFFFAOYSA-N 449.389 3.414 0 3 IGAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2NC(=O)[C@@H](N)Cc1c[nH]cn1 253677836 MGSCSNZRAARZBH-FDGYMOGISA-N 426.605 3.088 0 3 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N(C)C 771589 OZOQORKFCDYTSS-ICSRJNTNSA-N 428.485 3.291 0 1 IGAF CNC(=S)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 2487780 LTJXKOYCHHRRNX-HKUYNNGSSA-N 449.617 3.040 0 1 IGAF COCOc1cc(OC)ccc1C[S@](=O)c1ncccc1C(=O)Nc1ccncc1 13605348 KGAUOXRYXIAKQV-SSEXGKCCSA-N 427.482 3.028 0 1 IGAF Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(=O)C3CC3)CC2)cc1 66136523 QUZXWQMDELKGNV-SFHVURJKSA-N 439.581 3.194 0 1 IGAF COc1cccc(NC(=O)Cn2cc(Nc3ncnc4cc(OC)c(OC)cc34)cn2)c1 73221969 FWRUVEHMIVRQGU-UHFFFAOYSA-N 434.456 3.234 0 1 IGAF O=C(CN1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1)N1CCOCC1 73222879 LZTBBMYTELVXQM-HXUWFJFHSA-N 436.531 3.262 0 1 IGAF COc1ccccc1CNc1nc(N2CCC[C@@H](CO)C2)nc2cc(OC)c(OC)cc12 82125846 YHXGYSDRIRSNIB-MRXNPFEDSA-N 438.528 3.476 0 1 IGAF NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3)n2)C1 82133435 YECZLSDIAZNSTL-SFHVURJKSA-N 449.942 3.429 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCc1cccc(OC)c1OC 82199917 PARIKLUSVYAWIS-OKNLJRAGSA-N 432.561 3.115 0 1 IGAF CC[C@@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82208111 OKXDLYSGKAVVOM-LJQANCHMSA-N 441.491 3.063 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@@H](C)NC[C@@H]1C 95679395 ZOCREZASRFSTET-JKSBSHDWSA-N 431.577 3.299 0 1 IGAF COCCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@H]3N1 96175368 ZNMNVYFOHQUMMT-HNAYVOBHSA-N 426.538 3.386 0 1 IGAF O=S1(=O)N(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)CCN1C1CCCC1 149370497 XPVBJJRYAZHWNY-GOSISDBHSA-N 449.523 3.239 0 1 IGAF CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n([C@@H]5CCOC5)c4n3)nc2)CC1 169706883 NYKUNXOUARVROA-GOSISDBHSA-N 444.543 3.268 0 1 IGAF CCC[C@](C)(O)[C@@H]1C[C@]23C=C[C@@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5 195413758 LOOHQOHHYOAWOS-CLARFEIDSA-N 425.569 3.467 0 1 IGAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3c(O)nc(S)nc3[nH]1)C(=O)OC2 586915931 SPRYMMSRVLXKMU-WTKPLQERSA-N 442.497 3.162 0 1 IGAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587204891 UKTOUBZASXJXHO-NSHDSACASA-N 435.244 3.423 0 1 IGAF COC(=O)c1cnc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)s1 962915481 ABUALRHIUWZNFN-JTSKRJEESA-N 440.477 3.290 0 1 IGAF CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)C[C@@H](CN)CC4)CC1 1857616094 SZUBFGYTRMWCHH-HNNXBMFYSA-N 444.963 3.256 0 1 IGAF COc1cc(CO)c(-c2c(C[C@@H](C)C(C)=O)cc3c(c2OC)OCO3)c(OC)c1OC 2356520526 PNXAJTMQLCCLIC-GFCCVEGCSA-N 432.469 3.377 0 1 IGAF O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1)c1ccco1 4399665 LHCXLFBGKSFXEW-UHFFFAOYSA-N 428.452 3.165 0 3 IGAF aggregator COc1cccc(CN2CCN3C(C(=O)Nc4cccc(Cl)c4)=COC3=NC2=O)c1 205226992 SGVSXJFONVTBMC-UHFFFAOYSA-N 426.860 3.453 0 3 IGAF O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 790383 FKYANUQPMHROCJ-VSKRKVRLSA-N 440.540 3.309 0 1 IGAF CCCCNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cc(OC)ccc1OC 4500155 ULXQGMMBOAHALT-RBBKRZOGSA-N 440.540 3.420 0 1 IGAF O=C(O)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2oc3ccccc3c2c1 27518842 PVTAZXXDKDMCRE-IBGZPJMESA-N 435.457 3.355 0 1 IGAF CC[C@@H](C)[C@H]1C(O)=C(C2=NS(=O)(=O)c3ccccc3N2)C(=O)N1Cc1ccccc1 34817392 HQCGBXMJQCNVDM-KUHUBIRLSA-N 425.510 3.469 0 1 IGAF COc1cc(Nc2ncc3ccn(-c4cccc(-c5nnn[nH]5)c4)c3n2)cc(OC)c1OC 36348771 QQUSOIMWYLPTFE-UHFFFAOYSA-N 444.455 3.370 0 1 IGAF Cc1c(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cccc1-c1ncno1 45261365 UZIFKODROZEAAF-AEFFLSMTSA-N 434.496 3.185 0 1 IGAF COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@H](O)c2ccccc2F)C1=O 84690520 JIJDXDMHZSENDI-FDFHNCONSA-N 444.503 3.049 0 1 IGAF O=C(O)CCN(Cc1ccc(Br)cc1)Cc1ccc(C(=O)O)c(C(=O)O)c1 473084269 GEDAUZLHINLORD-UHFFFAOYSA-N 436.258 3.322 0 1 IGAF COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@]5(C)[C@@H](O)[C@@H]43)CC2)c1 504294214 HDQONPFINLODRO-XEOALYFXSA-N 440.584 3.102 0 1 IGAF biogenic O=S(=O)(Nc1cccnc1)c1ccsc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 586954035 YPYILJFAQZCJOQ-UHFFFAOYSA-N 426.405 3.248 0 1 IGAF Cc1ccc2c(ccc3[nH]c(-c4c(I)c(C(=O)O)nn4C)nc32)n1 587180320 GOEWOUSVJZBHQV-UHFFFAOYSA-N 433.209 3.123 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CN1C(=O)c3ccccc3N/C1=C\N1CCOCC1)O2 587398881 IWUJPZLZTXDLEE-MLJBDGAYSA-N 448.523 3.000 0 1 IGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)OC 587474625 IXJSNGAQKTUYEC-HJPURHCSSA-N 433.501 3.479 0 1 IGAF CC(C)(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595039 ODIRYICBOLWYFV-KYKAGHOCSA-N 439.464 3.358 0 1 IGAF CC1=C[C@@]2(CC(=O)N1CCCC(=O)O)N[C@@H](C)Cc1ccc(F)c(Br)c12 587757655 HGDRNGCJBCHULE-WLRWDXFRSA-N 425.298 3.319 0 1 IGAF COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)N[C@H](C)Cc1ccc(F)c(Br)c12 587808710 PDAFGHYOXZWXOC-UECKCYCWSA-N 428.298 3.080 0 1 IGAF CCOC(=O)[C@@H]1CCc2ccoc2[C@]12N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962711317 SLSPPUSSZXPNJB-RISOHXOYSA-N 441.377 3.406 0 1 IGAF Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@]21NC[C@H]2CC(=O)N(C)c3cccc1c32 963036242 WZHWULRSIVTFSB-IYJVBRSBSA-N 426.472 3.296 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3c(Cl)sc(Cl)c3Cl)N2C(=O)[C@@H]2CCCN12 963216532 DJJQHPRRTMWCOU-YVZVNANGSA-N 431.732 3.279 0 1 IGAF O=C(NCc1cccnc1)c1cc([C@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)on1 61903159 GVWNTANSQVFOPX-HXUWFJFHSA-N 432.480 3.302 0 3 IGAF O=C(NCc1ccccc1Cl)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)c1ccccc1 95570412 LUCMCYNIEONQNN-NHCUHLMSSA-N 439.943 3.252 0 3 IGAF CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOCCO)cc1 4039626 LXOLVVKRGYUFAM-LADGPHEKSA-N 439.556 3.093 0 1 IGAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 9645353 APSKSWCQPGVDQG-INIZCTEOSA-N 444.491 3.317 0 1 IGAF Cc1cc(C)c2c(=O)n(CC(=O)N3CCN(c4cc(Cl)ccc4C)CC3)sc2n1 9963609 WKSBGNUEOIAJRW-UHFFFAOYSA-N 430.961 3.385 0 1 IGAF Cc1cn([C@H]2C=C[C@H](CO[P@]3(=O)Oc4cccc(Cl)c4[C@@H](C)O3)O2)c(=O)[nH]c1=O 26731840 VNNRNHSLBICHPY-WQELYWJUSA-N 440.776 3.247 0 1 IGAF Cc1c(CCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)c(=O)oc2c(C)c(O)ccc12 26772031 WOWPBVQNTGJSIH-HXUWFJFHSA-N 448.475 3.341 0 1 IGAF biogenic O=C(NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccno4)n[nH]c2-3)C(=O)O1)C1CC1 28949353 WBBIAZIXYMTHJC-INIZCTEOSA-N 433.468 3.072 0 1 IGAF CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccnc1)n2CCC(N)=O 40937788 GWPQJRDWVXCIBI-UHFFFAOYSA-N 448.527 3.102 0 1 IGAF Cc1ccc(-c2c(C)c(CNC3CCCC3)nn2-c2ncccc2S(C)(=O)=O)cn1 40972581 HQAXGQLPZGWPGI-UHFFFAOYSA-N 425.558 3.382 0 1 IGAF O=C(NCCc1c[nH]c2ccc(O)cc12)N1CCN(c2ncccc2C(F)(F)F)CC1 49051350 FEYCSGXJKLRPJH-UHFFFAOYSA-N 433.434 3.362 0 1 IGAF COc1ccc(-c2nc3c(NCc4cccc(F)c4)ncnc3n2CCNC(C)=O)cc1 82181438 YWMRVCPRJKFCOZ-UHFFFAOYSA-N 434.475 3.389 0 1 IGAF O=C(Nc1ccc(C2=CCN(C(=O)c3cnccn3)CC2)cc1)N1Cc2ccncc2C1 166246692 ALJLHFVKMBYALX-UHFFFAOYSA-N 426.480 3.349 0 1 IGAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)[C@@H]3CCO)nn2-c2ccccc2)c1 169707053 CNPAHLXSVZWKDD-RTWAWAEBSA-N 432.524 3.175 0 1 IGAF CC(C)(NC(=O)N1CCn2c(C#N)c(-c3cccc(F)c3)c(C(N)=O)c2C1)C(F)(F)F 223369635 WLNPDGPYQIXCMJ-UHFFFAOYSA-N 437.397 3.131 0 1 IGAF O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 245276892 ZGLOWAKIKVYZHY-FXAWDEMLSA-N 439.537 3.221 0 1 IGAF CC(=O)c1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2CCCC(=O)O)cc1 474607093 JIEVCAWTGQFDIU-NQAVQENRSA-N 448.585 3.008 0 1 IGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3c(F)cnc(Br)c3[nH]2)cc1 586940684 BZVLXNFXLOGSIY-VOTSOKGWSA-N 425.283 3.258 0 1 IGAF Cc1cc(Br)cc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 586942343 KDYBRBYPYVLHJB-UHFFFAOYSA-N 429.727 3.203 0 1 IGAF O=S(=O)(c1ccc(Cl)c(-c2nc3ccnc(Br)c3[nH]2)c1)N1CCC1 586956069 SBSAXWNGYWTIRD-UHFFFAOYSA-N 427.711 3.435 0 1 IGAF O=C(c1ccccc1[C@]1(Cc2ccccc2)NCCc2ccc(O)cc21)N1CCOCC1 963354404 XJMYXXGDSRENIH-MHZLTWQESA-N 428.532 3.497 0 1 IGAF Cc1c(C(=O)N2CCc3ccccc3C2)cnn1-c1nc2cc(Cl)sc2c(=O)[nH]1 1857577397 ARTBIHMIISETOD-UHFFFAOYSA-N 425.901 3.331 0 1 IGAF Fc1cc(F)cc(N=c2nc(-c3cncc(Cl)n3)[nH]c(=NC3CC(F)(F)C3)[nH]2)c1 1857771834 DJUDMNYUQIPAHU-UHFFFAOYSA-N 425.777 3.057 0 1 IGAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCC[C@@]3(C)C(=O)O[C@@H](C[C@@]1(C)O)[C@@H]23 2356482461 NFNKLYVALXQMTH-PTHOPTINSA-N 432.557 3.455 0 1 IGAF CNC(=N)N[C@@H]1CCCC[C@@H]1CC[C@@H](O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O 2356542684 ZZZMBMVXJJSIBR-XRXFAXGQSA-N 449.592 3.099 0 1 IGAF CCO[C@@H]1OC[C@@]2(C(=O)OC)CCC[C@@]13[C@@H]1C[C@]4(OC)OC(=O)C=C4[C@H](C)[C@H]1CC[C@H]32 2356687854 DCJZJZPAWZBROQ-XDLQHZTFSA-N 434.529 3.217 0 1 IGAF CC(C)NC(=O)N1CCC[C@@H](O)[C@@H](NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)C1 2356806666 AHMXZGGNVRTFHF-FCHUYYIVSA-N 443.519 3.078 0 1 IGAF CN(C)S(=O)(=O)N1CCC(Oc2cccc(C(=O)NCCCC3CCCC3)c2)CC1 11999812 PXBPBHNMHONSCG-UHFFFAOYSA-N 437.606 3.036 0 3 IGAF COc1cccc([C@H]2CN3C(=O)CN(C4CC4)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)c1OC 2136802 HMWQBUPTQYVTNM-WXTAPIANSA-N 445.519 3.379 0 1 IGAF biogenic COc1ccccc1N1CCN(CCN2C(=O)[C@H]3Sc4ccccc4[C@@H]3N=C2C)CC1 40943728 YTUVCBHWXNZHCJ-GOTSBHOMSA-N 436.581 3.293 0 1 IGAF COCCCNC(=O)c1cnc(NC2CCCC2)nc1-c1cc(OC)c(OC)c(OC)c1 82143169 WYXBHCVEGJYADZ-UHFFFAOYSA-N 444.532 3.290 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 82198196 QLZNAPVASQEFDK-WUMKDDEVSA-N 438.568 3.179 0 1 IGAF COc1cc(-c2cn([C@@H]3C[C@@H](C(F)(F)F)CCNC3=O)nn2)ccc1-n1cnc(C)c1 84634861 NCGLVPCGSZDWHT-WMLDXEAASA-N 434.422 3.077 0 1 IGAF COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 84722551 HCTQTECZEUHBBS-FSSWDIPSSA-N 444.443 3.445 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCCCC1)CC31CN(C(C)=O)C1 95795981 DNJMGAOWTMANIA-JOCHJYFZSA-N 425.573 3.216 0 1 IGAF O=c1c(C(c2ccccn2)c2c(O)oc3cc(O)ccc3c2=O)c(O)oc2cc(O)ccc12 100788463 GTEGCGXJONRRST-UHFFFAOYSA-N 445.383 3.297 0 1 IGAF CCCCNc1ncc(-c2ccc(N3CCN(C)CC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 103242272 YVAPXKWBCBCTDS-PUZFROQSSA-N 439.608 3.218 0 1 IGAF Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)[C@H]1CC[C@H](C2)N1 113223170 IWAXJAXOICJNEI-DNVCBOLYSA-N 431.471 3.187 0 1 IGAF CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1 169720540 DVDWCCPTANZWGZ-RZUBCFFCSA-N 435.549 3.464 0 1 IGAF Cc1c(Cl)cc(OCC(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12 217493484 NTIUYJNMDUZGAG-UHFFFAOYSA-N 443.861 3.146 0 1 IGAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 299883129 QVIRTYGBCOLAKS-WZAGDLBHSA-N 429.469 3.417 0 1 IGAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 586947430 YICMYAVLOALLOJ-CYBMUJFWSA-N 426.420 3.101 0 1 IGAF O=C(c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1)N1CCN(CCO)CC1 587023755 HKTCMZGLDXTVIM-UHFFFAOYSA-N 439.566 3.165 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)(C(O)O)N1 587676206 CWOFVDNDPBFOPE-HUTHGQBESA-N 445.126 3.439 0 1 IGAF CCOC(=O)[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587703230 GGOWSCYBYSJVKN-GLEZIHRCSA-N 426.204 3.402 0 1 IGAF COc1cccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)c1 653714990 RWDTXNWUIIDZSA-UHFFFAOYSA-N 439.493 3.479 0 1 IGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCOc3ncc(Br)cc32)N1 962964927 KAEXWNXJFHTGNJ-YVEFUNNKSA-N 445.647 3.401 0 1 IGAF Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@]21NC[C@@H]2CC(=O)N(C)c3cccc1c32 963036253 WZHWULRSIVTFSB-RMKBEBRYSA-N 426.472 3.296 0 1 IGAF Cc1ccc(-c2ccc(C(=O)N[C@@H](c3nc(C)c(CO)[nH]3)[C@@H]3CCCCN3)[nH]2)cc1F 1772618850 HBUVBLUFSSUMQD-GHTZIAJQSA-N 425.508 3.266 0 1 IGAF COc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccccc2F)cc1 1857547119 FPJJLXYNRRVMOE-UHFFFAOYSA-N 428.485 3.243 0 1 IGAF COC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)[C@H](O)C[C@@]4(O)[C@@H]3CC[C@@H]2C1 1857579659 HLVMTJOTGLNNPR-GUQRITBDSA-N 448.556 3.366 0 1 IGAF FC(F)c1ccnc(-c2nc(=N[C@H]3CCC(F)(F)C3)[nH]c(=N[C@H]3CCC(F)(F)C3)[nH]2)n1 1857764837 QHLSBPRKCLATLW-UWVGGRQHSA-N 447.387 3.309 0 1 IGAF CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)cc1 4038886 PTTNMTOOHSWBQN-OWSXEPHWSA-N 438.572 3.309 0 1 IGAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2c(-c2ccc(OC(F)(F)F)cc2)ccc1=O 25408187 FRHXEDHHLPPELV-ZBFHGGJFSA-N 436.430 3.396 0 1 IGAF biogenic NC(=O)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1 28951746 DCTIKIWYRXDSOC-UHFFFAOYSA-N 426.379 3.366 0 1 IGAF OC[C@@H]1O[C@@H](n2c(SCc3ccccc3)nc3cc(Cl)c(Cl)cc32)[C@H](O)[C@@H]1O 32022811 ISLZSOMAOHBIRJ-BSDSXHPESA-N 441.336 3.247 0 1 IGAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/CC(=O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 40423221 GCLFJDBFHQMHMU-ASYWEDHJSA-N 437.558 3.263 0 1 IGAF Nc1cccc2c1C[C@@H](N1CCC(C(=O)c3ccc(Br)cc3)CC1)[C@H](O)C2 49072094 YZOAQWIBHPFHBP-NHCUHLMSSA-N 429.358 3.454 0 1 IGAF CC[C@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2C(F)(F)F 53314045 GFJDQCXUYSZPNK-NRFANRHFSA-N 446.381 3.194 0 1 IGAF COc1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)cc1N1CCNCC1 64538975 NQZCQJSBQXCUGD-UHFFFAOYSA-N 440.569 3.125 0 1 IGAF CC(=O)Oc1cc(F)ccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1 72123112 GUFZZSOUPUDNIF-UHFFFAOYSA-N 443.378 3.270 0 1 IGAF COCCCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(-c2ccccc2)cc1 82153453 IQZBZHXOFPXDFV-UHFFFAOYSA-N 432.524 3.414 0 1 IGAF CCCC(=O)N1CC2(CN(Cc3nccs3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO 95867588 RHAHIDRIPBSPCL-GOSISDBHSA-N 440.569 3.062 0 1 IGAF CN1[C@H](C(=O)NC2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]21 95881245 NGBOBFVXNOLSRZ-QKXHHKLFSA-N 447.579 3.061 0 1 IGAF COCCOc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC 96922283 YKAIBTUHAHHHCT-RBUKOAKNSA-N 430.497 3.312 0 1 IGAF COc1ccc(/C=C(/C(=O)N2CCC[C@H]2CO)c2ccc(OC)c(OC)c2)cc1OC 103170782 JXMKZIPUUPLZJF-LPGQDOADSA-N 427.497 3.245 0 1 IGAF CN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2F)CC1 115622895 LQDYHRHECGNENJ-QGZVFWFLSA-N 437.519 3.145 0 1 IGAF CN[C@@H](C)C(=O)N[C@H]1CSc2c(N)cccc2N(Cc2cccc3ccccc23)C1=O 144218282 OULGXBSFUJVITE-YWZLYKJASA-N 434.565 3.154 0 1 IGAF Cc1cc(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncon3)c2)c(-n2nccn2)cc1C 205662612 BTNLZELUPKRKLO-HXUWFJFHSA-N 444.495 3.018 0 1 IGAF C[Si](C)(CSC/C(=C1/NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-])c1ccccc1 211504429 KANBIQZGKJDVTI-CZIZESTLSA-N 449.052 3.474 0 1 IGAF Cc1ncc(CNc2cc(OC[C@H]3C[C@@H]3c3nn(C)c4ccccc34)nn(C)c2=O)s1 221918474 BXMROPXPUWPRQE-PBHICJAKSA-N 436.541 3.227 0 1 IGAF O=S(=O)(CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)c1ccc2c(c1)CCC2 586919914 APHWMVOAYIWIJK-UHFFFAOYSA-N 449.536 3.127 0 1 IGAF CCCn1cnc2cc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)cc(Br)c21 587004979 HMYUKBQQKIPMGM-UHFFFAOYSA-N 434.319 3.400 0 1 IGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C(F)(F)F)ncc2[nH]1 587121240 YXLSGAWZRQSFBM-UHFFFAOYSA-N 430.312 3.401 0 1 IGAF Nc1cc2nc([C@H](CC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c2cn1 587203420 PLAAGUVTGPORAJ-IBGZPJMESA-N 445.479 3.641 0 1 IGAF Cc1ccc(S(=O)(=O)NNC2=CCC[C@@]3(CC(=O)c4cc(C)cc(N)c4O3)C2)cc1 587410447 SYTCXSFZBYNTER-QFIPXVFZSA-N 427.526 3.141 0 1 IGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2ccccc2)C[C@H]1C(=O)OCC 587476013 NYTUAVZKAFHTTM-UQBPGWFLSA-N 437.492 3.270 0 1 IGAF O=C(O)CC[C@@]1(c2ccc3c(c2)OCCO3)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962769316 RWSJENDKMQOHJJ-IERDGZPVSA-N 435.398 3.212 0 1 IGAF COc1nc(C2=NOC[C@H](COc3ccc(F)cc3C)N2)ccc1-n1cnc(Cl)c1 1772646853 INKFCWWWQLNOIN-AWEZNQCLSA-N 431.855 3.106 0 1 IGAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](CN3C(=O)c3cccnc3)Oc3ccccc32)cc1 2356390520 FNKCBHBKDWLXJQ-RBBKRZOGSA-N 429.476 3.299 0 1 IGAF CCc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)N(CC)c3ccccc3)C2)cc1 6751065 UJRIYYHULGOFDD-OAQYLSRUSA-N 429.586 3.349 0 3 IGAF COc1cccc(N(C(=O)[C@H]2CSC(=O)C2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)c1 13150666 FVCCKRYWICTWQP-UZLBHIALSA-N 441.553 3.359 0 3 IGAF O=C(O)Cc1nn(Cc2nc3cc(C(F)(F)F)c(O)cc3s2)c(=O)c2ccccc12 596323 XPQLLXHISGLZKA-UHFFFAOYSA-N 435.383 3.406 0 1 IGAF O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F 4205846 KYRXFZUOWNKWLZ-NVXWUHKLSA-N 441.684 3.442 0 1 IGAF CC(=O)Nc1ccc(Sc2ccc(N3C[C@H](CNC(N)=S)OC3=O)cc2F)cc1 28378746 QLXYDWZQDJCWAK-AWEZNQCLSA-N 434.518 3.094 0 1 IGAF C[C@@H](Nc1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)c1ccc2ccccc2c1 40395096 UXYOCRLZKBFANG-VLIAUNLRSA-N 428.496 3.402 0 1 IGAF in-vitro CS(=O)(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCC(O)CC4)cc3)n2)cc1 53213704 SNCROWOTWGUING-UHFFFAOYSA-N 439.541 3.220 0 1 IGAF O=c1c2cc(-c3ncccn3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1 64559699 GTBFTJCUVNQUSU-UHFFFAOYSA-N 426.480 3.486 0 1 IGAF Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1Cl 66078246 RJTCCTFJKGHFMD-UHFFFAOYSA-N 446.338 3.225 0 1 IGAF CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccccc2)n1 82132873 QUVVQDOKERIRMA-NXXWWENFSA-N 435.572 3.492 0 1 IGAF Cc1ccc(C(=O)N2CC[C@@H](O)[C@H](N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)s1 84742286 CXTHZWJKAJLJOD-WOJBJXKFSA-N 430.545 3.366 0 1 IGAF O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO 95794161 RGJBWJPEIDPDHJ-DJPFJPOOSA-N 449.502 3.334 0 1 IGAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1cnc(SC)n1Nc1ccccc1 103216291 LNSJWAFZRBNAKX-LJQANCHMSA-N 442.541 3.451 0 1 IGAF COC[C@H](Oc1ncnc2c1cnn2-c1ccccc1Cl)C(=O)Nc1ccc(C)cn1 114684619 JOUKVMFZBZNCCO-KRWDZBQOSA-N 438.875 3.205 0 1 IGAF Cc1cc(I)ccc1COc1ccnn1-c1cc(C(=O)O)ccn1 146523958 MBJOZIBNEMTKKO-UHFFFAOYSA-N 435.221 3.458 0 1 IGAF N#Cc1nc(C(=O)NCC2(C(=O)O)CCOCC2)c(O)c2ccc(Oc3ccccc3)cc12 146732235 SEEAXIMDRVUIOI-UHFFFAOYSA-N 447.447 3.216 0 1 IGAF COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3cnc4c(N)n[nH]c4n3)cc2)c1 148890279 NQAKQMPWEPLRDF-UHFFFAOYSA-N 430.877 3.065 0 1 IGAF CN(C)C(=O)c1ccc(-c2cc3c(N[C@@H]4CC[C@](C)(N)C4(C)C)c(C(N)=O)cnn3c2)cc1 169710832 OUMHYFKEKIQRPP-NLFFAJNJSA-N 448.571 3.120 0 1 IGAF N#Cc1c(-c2cccc(F)c2)c(C(N)=O)c2n1CCN(C(=O)NC1CCC(F)(F)CC1)C2 223376467 JLLGQOXQAIOBGL-UHFFFAOYSA-N 445.445 3.368 0 1 IGAF NC1=N[C@@](c2cc(NC(=O)c3ccc(OC(F)F)cn3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 226061853 SXVKFIGMVPEDBM-GEDNVKPRSA-N 442.344 3.268 0 1 IGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NCCC3(O)CCCC3)c2cn1)c1ccccc1 261161606 QYOMYDYIJSYXGD-OAHLLOKOSA-N 436.516 3.266 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CC(C)C4)ncc3Cl)C2)cc1 261187885 YANLSRWGWIYFET-HNAYVOBHSA-N 429.952 3.441 0 1 IGAF COc1ccc(-c2nnc(SC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)[nH]2)cc1 299868898 SPZRGEFRQRCKNV-FQEVSTJZSA-N 444.467 3.030 0 1 IGAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)c(OC)c2)[C@@]12C(=O)Nc1ccc(Cl)cc12 473151858 RTISTHOUCXSOBT-JBYIUTFZSA-N 429.856 3.239 0 1 IGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 586959420 KMUZOEWYGYQFLS-JHVJFLLYSA-N 449.540 3.233 0 1 IGAF C[C@H](NS(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587532961 QTZPEGWIODMWDO-LFVRLGFBSA-N 443.521 3.197 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CNC(=O)CCC(=O)O)(c2ccccc2)N1 587756244 QKNMYLLYXWKGDI-YEJXKQKISA-N 449.320 3.347 0 1 IGAF CCOC(=O)C(=O)C[C@]1(c2cccc(OC)c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962763441 KKDSYSMIIIJSSK-XMSQKQJNSA-N 449.425 3.107 0 1 IGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@@H]3CCO[C@@H](C)C3)c2cn1)c1ccccc1 1772611806 DAQQYHPLOGPNDW-ZSZQSSIHSA-N 425.489 3.413 0 1 IGAF CCOCCN1C(=O)C[C@@H]2C(=C(N)Oc3cc(OCc4ccc(Cl)cc4)ccc32)C1=O 1857759379 DTMPKLSCBDJKOI-SFHVURJKSA-N 442.899 3.361 0 1 IGAF CSc1nc2n(n1)[C@@H](c1cc(Br)ccc1F)C(C(=O)N(C)C)=C(C)N2 13123728 SNWWQRITSUDZLL-ZDUSSCGKSA-N 426.315 3.279 0 3 IGAF CN(C)c1ccc(C2=NO[C@@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N2CCOCC2)cc1 4045542 AVVPJKPJCNZQHF-CTNGQTDRSA-N 431.895 3.496 0 1 IGAF COC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(NS(C)(=O)=O)c(OC)c1 26485050 USGOCRZUDREISO-HXUWFJFHSA-N 429.498 3.262 0 1 IGAF COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)C(=O)[C@@H]3COC[C@H]32)cc(OC)c1OC 38561996 UDMGAFIGOTWFTR-SPYBWZPUSA-N 444.480 3.329 0 1 IGAF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@H](C)CC(N)=O)[nH]c3ccc(Cl)cc23)c1 40395289 QXXKLWAJMOTPFM-CYBMUJFWSA-N 447.944 3.265 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@H](O)[C@@](/C=C/Cc4ccccc4)(CO)C[C@H]4[C@@H](C2)N(C)CC[C@@]341 58482406 ZWVDVCFMIUCNEM-YEZLZLBWSA-N 447.575 3.113 0 1 IGAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc(F)cc1 82136386 MVXSWTPDJDNECG-SYNHAJSKSA-N 439.535 3.293 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 82219146 ZOWMNIBQMRXVET-SXSPYAJSSA-N 440.540 3.376 0 1 IGAF O=C(O)CCc1sc(/C=C2\NC(=O)CS2)nc1-c1ccc(Br)cn1 95602814 CVJZLBLHOWALQA-LFYBBSHMSA-N 426.317 3.146 0 1 IGAF CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CC1)C[C@H](C)[C@@H](OC)CN(C)C2=O 95679793 COVYADPIWOIZBH-JKSBSHDWSA-N 431.577 3.251 0 1 IGAF O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 95874321 DFXDBLKOJGNHJX-WXFUMESZSA-N 435.572 3.020 0 1 IGAF Cn1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ccc1=O 146942950 ZDKQWJFWRHHHFH-UHFFFAOYSA-N 442.401 3.446 0 1 IGAF CCC(CC)(NC(=O)c1ccc(C(F)(F)F)c(OC[C@@H]2CCCO2)n1)C(=O)N(C)C 207737390 PHRIUIOMXALSLS-ZDUSSCGKSA-N 431.455 3.035 0 1 IGAF O=C(N[C@@H]1CC[C@@H]2CN(S(=O)(=O)c3ccccn3)C[C@H]21)c1ccc(Cl)cc1Cl 261100028 GEFIDYGSQOOKMX-SRCQZFHVSA-N 440.352 3.218 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CN(Cc1ccccc1)C[C@H]2C(=O)O 587583876 VMXLWVQOXSZMPZ-HMHJJOSWSA-N 431.444 3.309 0 1 IGAF CCc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2CC(=O)O 587776299 XBRCVOWFPCWIJD-FIKIJFGZSA-N 447.304 3.360 0 1 IGAF Fc1cc(F)cc(N=c2nc(-c3nc(F)ccc3F)[nH]c(=NC3CC(F)(F)C3)[nH]2)c1 1857772974 YOKUNNSAZUOEON-UHFFFAOYSA-N 426.324 3.287 0 1 IGAF CC(=O)O[C@]1(C)C[C@H](OC(=O)C=C(C)C)[C@@H]2[C@H](OC(=O)[C@]2(C)OC(C)=O)[C@H]2C(C)=CC[C@@H]21 2356399357 SZNMUMJGTBKPNX-GNRZIEHVSA-N 448.512 3.036 0 1 IGAF O[C@H]1O[C@H](COc2ccccc2)[C@H](O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 2356678431 GCORHPRPELISIA-NRWDCXGPSA-N 436.504 3.314 0 1 IGAF C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)Cc1ccc(Cl)cc1Cl 61904765 KTIIWOHCYVJTTH-IBGZPJMESA-N 441.336 3.032 0 3 IGAF O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccccc1 95601965 KWVRLTIBXBRNFP-JOCHJYFZSA-N 425.448 3.179 0 3 IGAF CC(C)C[C@@H]1NC(=O)[C@H]([N+](=O)[O-])Cc2cn(c3ccccc23)C(=O)c2ccccc2NC1=O 14682458 KGMJPYKOPYIKIO-PZJWPPBQSA-N 448.479 3.001 0 1 IGAF biogenic Cc1cc(CN2[C@@]3(CC(O)=NC3=O)c3ccccc3S2(=O)=O)ccc1Br 27524135 HDNTXMJEJVAPRF-SFHVURJKSA-N 435.299 3.044 0 1 IGAF CN(C(=O)Nc1c(Cl)cccc1Cl)c1cc(NCCN2CCOCC2)ncn1 40763987 HWLSEFZNSVILGW-UHFFFAOYSA-N 425.320 3.196 0 1 IGAF Cc1ccc(C(=O)NCCO)cc1Nc1ncnn2cc(C(=O)c3ccccc3)c(C)c12 72175975 UGDZPWQACLGKIP-UHFFFAOYSA-N 429.480 3.043 0 1 IGAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)OCCN)co2)cc1 82073002 JEEGIGRIOKPUJL-HXUWFJFHSA-N 429.517 3.407 0 1 IGAF CC(C)[C@@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82206326 CNYFOGBFMBCGOH-IBGZPJMESA-N 426.467 3.399 0 1 IGAF O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95664901 XFHPTNMTQHMBQH-ARNLJNQMSA-N 430.479 3.304 0 1 IGAF CCN1[C@H](C(=O)Nc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]21 95869452 FIJDCYKREXHJJZ-ZQRMPTRQSA-N 447.510 3.277 0 1 IGAF NC(=O)c1cccc(CN2C(=O)N[C@H](CCc3ccccc3)[C@@H](O)[C@@H]2Cc2ccccc2)c1 98085477 LEKZXRMIXMQSLA-DSNGMDLFSA-N 443.547 3.284 0 1 IGAF CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4C(=O)NC3CCCC3)cc2)c1 100094188 RJPJWJSEMJUBIU-UBRQYEGLSA-N 432.568 3.447 0 1 IGAF COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1OC 101026992 NSAZUOVLMZKJRI-KDURUIRLSA-N 449.459 3.199 0 1 IGAF CC[C@@H](Cc1ccccc1)NC(=O)C1CCC(C/N=c2/c(N3CCCC3)c(O)c2=O)CC1 101929078 GZZSZWAQGHYTDN-YUJJCTSTSA-N 437.584 3.073 0 1 IGAF COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@@H]2c2ccccc2OC)c1 103191239 XIXVWNFOHGPSQA-GOSISDBHSA-N 437.315 3.385 0 1 IGAF COC[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12 169686682 LQCNCYDHGFQWKE-LLVKDONJSA-N 434.493 3.018 0 1 IGAF COc1ccccc1[C@@H]1[C@@H](S(C)(=O)=O)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 169696290 SUDGVLGETKIDTK-IFMALSPDSA-N 439.489 3.334 0 1 IGAF CNc1nc(Nc2cc(OC)c(C(=O)NCC(C)(C)O)cc2Cl)ncc1C(F)(F)F 169705106 PAMMNSFLHZTMBM-UHFFFAOYSA-N 447.845 3.443 0 1 IGAF CCN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccccc1 195187743 DAZCIYMYHXRAFE-BUOQGALMSA-N 441.531 3.411 0 1 IGAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)[C@H]1COC(=O)N1 219788413 DJAUDRYHVNOPNC-OAHLLOKOSA-N 431.811 3.221 0 1 IGAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 586951009 PSIXMOWTLJFRHF-UHFFFAOYSA-N 438.513 3.439 0 1 IGAF COC(=O)c1cccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 587001676 FPPJDUYFAFXPID-UHFFFAOYSA-N 430.258 3.080 0 1 IGAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 587202767 GPTYSWDJUZOIBM-CQSZACIVSA-N 425.327 3.191 0 1 IGAF COc1cccc(N2C[C@@H](C(=O)c3c(CO)oc4cc(Br)cnc34)CC2=O)c1 587275609 FDANOPGJSXRWFY-NSHDSACASA-N 445.269 3.327 0 1 IGAF Cc1cccc(N2CC[C@@H]3CN(CCCSc4nnc(-c5cnccn5)n4C)C[C@@H]32)c1 653723359 XLJQOKQZCYRQNN-NQIIRXRSSA-N 435.601 3.273 0 1 IGAF COc1ccc(S(=O)(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1OC 1257071738 IJTSDORCKOQDJM-XNSSQMBPSA-N 432.586 3.288 0 1 IGAF Nc1ncnc2c1c(-c1cc(F)c3c(c1)NCCO3)nn2[C@H]1Cc2cc(F)ccc2C1=O 1772630220 GKUMLYRMNIQMMI-INIZCTEOSA-N 434.406 3.138 0 1 IGAF COc1ccc(N(CCCN)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)nc1OC 1857575100 KSPKVYXDNQMYSB-UHFFFAOYSA-N 427.501 3.287 0 1 IGAF O=C(CC1CCCC1)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)c1ccccc1 198919345 RVFYNOYCEMYICF-GMAHTHKFSA-N 425.573 3.474 0 3 IGAF COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 1794510 LGJORJHUCGZWEW-VQTJNVASSA-N 436.489 3.312 0 1 IGAF COc1cc(N)c(Cl)cc1C(=O)NC1C[C@H]2CN(Cc3ccccc3)C[C@@H](C1)N2C 22936651 SPDXQDFDPSVUIM-AYHJJNSGSA-N 428.964 3.008 0 1 IGAF CC(C)c1nn(-c2cnccn2)c(-c2ccc(F)cc2)c1/C=C/[C@H](O)C[C@@H](O)CC(=O)O 26182747 DPRJPRMZJGWLHY-KBSZCIAZSA-N 440.475 3.192 0 1 IGAF in-vitro CC(=O)Oc1cc(C)ccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1 72140931 KWTWBRGTMDMOBY-UHFFFAOYSA-N 439.415 3.439 0 1 IGAF O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccccc1)[C@@H](c1ccccc1)CN2 82208491 URSPKBUDJCPQOR-JOCHJYFZSA-N 440.503 3.391 0 1 IGAF CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4C)cc3)[C@@H]2C1 95874362 RSSVIUFKDKHCDB-HJOGWXRNSA-N 428.598 3.236 0 1 IGAF CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3C)cc1)[C@@H]2CO 95874367 RSSVIUFKDKHCDB-SGNDLWITSA-N 428.598 3.236 0 1 IGAF CNC(=O)c1cc(F)cc(Nc2ncnc(N3CC(Oc4ccc(Cl)cc4)C3)n2)c1 118583764 IBYYKXCQFDKKEF-UHFFFAOYSA-N 428.855 3.035 0 1 IGAF O=C1[C@@H]2[C@@H](C(=O)N1CCCCN1CCN(c3cccc(Cl)c3)CC1)[C@H]1C=C[C@H]2[C@H]2C[C@H]21 194944948 SAHCFCFOKRFDAF-FHEJEKGWSA-N 439.987 3.295 0 1 IGAF COc1cncc(-c2ccc3nc(NC(=O)NCC(=O)NCC(F)(F)F)sc3c2)c1 299841385 ZOLZIBOHJQMDHI-UHFFFAOYSA-N 439.419 3.167 0 1 IGAF CN(C)C(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 586945617 JNHBLXDNDREYJK-UHFFFAOYSA-N 430.511 3.065 0 1 IGAF CN(C)S(=O)(=O)c1cccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c12 587001574 DZFLJVGPBCFLOG-UHFFFAOYSA-N 448.346 3.168 0 1 IGAF CCCCNS(=O)(=O)c1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1 587131537 MQZOAJJKPIDHJB-UHFFFAOYSA-N 429.489 3.260 0 1 IGAF CC1=C(c2ccc3nc(-c4nnn(Cc5cccc(F)c5)c4Cl)[nH]c3c2)NNC(=O)C1 587162133 TVBGFAZOSXWUIY-UHFFFAOYSA-N 437.866 3.418 0 1 IGAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1S(N)(=O)=O 587839627 HUWMXTZQDFSVJJ-VOJFVSQTSA-N 427.339 3.342 0 1 IGAF CC(=O)c1ccc2c(c1)[C@](C)(c1cc(C)nn1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962623435 DPAQRJDVSFMPRA-FDDCHVKYSA-N 427.501 3.441 0 1 IGAF CCC=CC=CC(=O)NC=CC[C@@H]1C[C@H]2C[C@H](O)C[C@@H](Cc3cccc(O)c3C(=O)O1)O2 2356451656 MVOORUCGKRDJFW-XRXFAXGQSA-N 441.524 3.315 0 1 IGAF COC(=O)[C@]12CCCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCSCC1)C2 169302926 XWBSLDFXELYQEQ-HXOBKFHXSA-N 446.569 3.211 0 3 IGAF CC(=O)N1C[C@@H](CO)[C@@H](N(C)C(=O)C(C)(C)C)C[C@H]1c1ccccc1Br 198932887 NVBPTVVHEPGDQQ-WBAXXEDZSA-N 425.367 3.224 0 3 IGAF COc1cc(/C=C(\NC(=O)c2ccccc2)c2nc3cncnc3[nH]2)cc(OC)c1OC 5545782 ONXPWLIOHMGVLU-SXGWCWSVSA-N 431.452 3.307 0 1 IGAF O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(Br)ccc12 13860791 OHIQWUCZXVSXEG-UHFFFAOYSA-N 430.283 3.444 0 1 IGAF CSCC[C@@H](NC(=O)[C@@H](CSC(=O)c1ccccc1)Cc1ccccc1)C(N)=O 26490476 ZYVRYKRQCQNQFH-RTBURBONSA-N 430.595 3.142 0 1 IGAF CN(Cc1ccc2cc(Cl)ccc2n1)C[C@H](O)COc1ccc(NS(C)(=O)=O)cc1 26962490 YHNQTLRSFJOOEO-IBGZPJMESA-N 449.960 3.131 0 1 IGAF CNc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)Nc1cccc(O)c1 44681431 OUQOTAOPKIVOIG-CXXPOSQYSA-N 445.585 3.335 0 1 IGAF biogenic COc1cc2nc(NC[C@@H](O)CO)nc(NCc3cccc4ccccc34)c2cc1OC 82125014 IYPQTTJZCYDVPJ-QGZVFWFLSA-N 434.496 3.177 0 1 IGAF CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CC1)[C@@H](C)CO2 95679785 BDRXDQAKPVBUQK-HYFFOGBASA-N 431.577 3.251 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@@H]4NC(C(=O)OCC(C)C)=C(C)[C@@H]4C[C@H]4[C@H](C2)N(C)CC[C@]341 194975101 LCIWAGQFSNMYED-XJECGDAESA-N 438.568 3.035 0 1 IGAF O=C(c1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2c1)N1CCN(CCO)CC1 587028617 XFGMWPCFLQDOKA-UHFFFAOYSA-N 433.537 3.104 0 1 IGAF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4ccc(OCCN(C)C)cc4[nH]3)cc12 587037189 FPBCRIBUOVIONL-ZDUSSCGKSA-N 426.546 3.251 0 1 IGAF CN(C)S(=O)(=O)c1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587225937 ZKPGCBAJHZGBRG-NRFANRHFSA-N 434.521 3.333 0 1 IGAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587933526 ZHJIXXQZORIQGV-HTAPYJJXSA-N 427.526 3.038 0 1 IGAF CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(C1)N[C@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962640639 PNEWFIUDDNTTRJ-YZVOILCLSA-N 448.413 3.358 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@H](CCCc3cccc(C(F)(F)F)c3)N2C(=O)[C@@H]2CCCN12 963218626 INESWEOEIPEHPW-BZSNNMDCSA-N 432.446 3.250 0 1 IGAF C=CC(=O)N1CCC2(CC1)CNc1c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn12 1772602189 MWDHQDOWHWGVQW-UHFFFAOYSA-N 443.507 3.371 0 1 IGAF N[C@@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1 1772611837 LICXNJHYTOUIGJ-OAHLLOKOSA-N 444.417 3.227 0 1 IGAF COc1cccc(-n2cccn2)c1C(=O)N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1 1772654188 BFGSQTIQMVPAIG-KBPBESRZSA-N 446.433 3.453 0 1 IGAF COc1cccc(CN2C(=O)CN(C(=O)c3ccc(C)cn3)C[C@@H]2Cc2ccccc2)c1 1857591264 LIOGYIXUCVMPFG-QFIPXVFZSA-N 429.520 3.495 0 1 IGAF CC(C)(N)[C@@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)[nH]1)c1ncc(CO)s1 1857605485 XTZGPDNUAHBAES-HNNXBMFYSA-N 439.463 3.253 0 1 IGAF C[C@H](O)CC=CC=CC=CC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@]2(C)CCCC(C)(C)[C@@H]12 2356443807 ZHQUHDHFPDBIHU-NSQSBTTJSA-N 430.541 3.398 0 1 IGAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@@H]2OC(=O)[C@]3(C)CCC[C@]1(C)[C@H]23 2356482460 NFNKLYVALXQMTH-NYSGORAVSA-N 432.557 3.455 0 1 IGAF O=S(=O)(NC[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1)C(F)(F)F 26189164 GOFVGMNCCZECDT-SFHVURJKSA-N 426.416 3.286 0 1 IGAF CCc1ccc2c(=O)cc(C(=O)NC3CCN(Cc4ccc5c(c4)OCO5)CC3)oc2c1 36126712 DOYKZJFYZSSDTP-UHFFFAOYSA-N 434.492 3.479 0 1 IGAF CCn1c(-c2nonc2N)nc2c(Cl)ncc(O[C@H](CCN)c3ccccc3F)c21 45189783 ISSJAZMLOMRNKJ-GFCCVEGCSA-N 431.859 3.345 0 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XRWOBVDLRWYKHG-IBGZPJMESA-N 425.489 3.151 0 1 IGAF COc1ccc(CC(=O)Nc2ccc(-n3c4c(c5nc[nH]c(=N)c53)COC4)cc2)cc1F 1857602550 HYCUROJFMCMJHX-UHFFFAOYSA-N 433.443 3.192 0 1 IGAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 4076944 GSXXCAFBWLEOIG-AGHHOFFYSA-N 441.915 3.177 0 1 IGAF CS(=O)(=O)c1ccc(-c2cccc3c2O[C@H](CNC(=O)c2cc(C4CC4)n[nH]2)C3)cc1 11784662 GQTGUGPOPCCWCT-KRWDZBQOSA-N 437.521 3.091 0 1 IGAF COc1cc(C[C@H]2COC(=O)[C@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1OC 14437772 BFDODNWEBMWJIS-HOTGVXAUSA-N 430.453 3.024 0 1 IGAF endogenous,in-man S=C(Nc1ccccc1)N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(C4CCCC4)n3)CO[C@@H]12 25432833 LRJNBOKMHVJHHD-NMLBUPMWSA-N 425.558 3.068 0 1 IGAF biogenic NC(=O)COCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12 28901046 MEHRBVQTOVMMDP-UHFFFAOYSA-N 445.458 3.012 0 1 IGAF O=C(NCCc1ccccc1)NN1CN(Cc2ccccc2)[C@@H](Cc2ccccc2)C1=O 64553137 LNQMZJWIJKNPHF-DEOSSOPVSA-N 428.536 3.357 0 1 IGAF CN1CCN(c2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)CC1 66058829 HJAPICCHMZJHCP-UHFFFAOYSA-N 434.359 3.393 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@H](C)NC[C@H]1C 95679196 UUJUQZMUGCCRQO-JLHGSKIFSA-N 446.592 3.234 0 1 IGAF O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)[C@H]1CC[C@H](O)C1 118393895 FJCFOBAIIMESRH-ZUEVXXBESA-N 427.455 3.449 0 1 IGAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C(C)(C)O)n2c1COCC2)c1ccccc1 146107590 XMZXKWPPTUDBDA-DENIHFKCSA-N 439.556 3.275 0 1 IGAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@]2(O)C1 255205414 DDNFNZMFXRMHIQ-DXVFEWITSA-N 432.557 3.290 0 1 IGAF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Cl)ncc3[nH]2)c1 586951536 PZYWEIFYSYKRKT-UHFFFAOYSA-N 427.711 3.482 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1SCC2(CO)CO 587618438 OSJBROHEMYNDFL-RDPSFJRHSA-N 436.485 3.326 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@]3(CC[C@@H](c4ccccc4)c4ccccc43)N2C(=O)[C@@H]2CCCN12 963226821 XXVMWHOEFHBFHL-XYVJRHFASA-N 438.531 3.337 0 1 IGAF CCONCc1ccc(OCC[C@H](C)CCN2CCN(c3cc[nH]c(=N)c3)C2=O)cc1 1857570594 ALVBWJRLQRZXRD-GOSISDBHSA-N 427.549 3.273 0 1 IGAF CCn1c([C@](O)(c2ccccc2)c2ccccc2F)nc2ccc(C(=O)NCCO)cc21 1857579630 ANMQEMOWWUEANE-VWLOTQADSA-N 433.483 3.202 0 1 IGAF COC(=O)[C@]12CCCC3=C1[C@H](C[C@H](C)[C@@]31C[C@H](c3ccoc3)OC1=O)O[C@H]2OC(C)=O 2356645004 AZQXQJBTHHOQGP-XNKZGAIOSA-N 430.453 3.222 0 1 IGAF C[C@@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12NC[C@H](CO)C[C@@H]2O 2356745927 FBKQAVWTYDQPAB-RQUIHQJKSA-N 447.660 3.310 0 1 IGAF O=C(NC1CCCCC1)c1nnc2n1CCN(C(=O)c1ccc(Oc3ccccn3)cc1)C2 206022761 GUDIMDGMOAGVQW-UHFFFAOYSA-N 446.511 3.184 0 3 IGAF Cc1cc(C)cc(NC(=O)[C@H](NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(C)C)c1 16031491 UGEBTXSSXQGUDS-SELNLUPBSA-N 436.556 3.257 0 1 IGAF biogenic CCOC(=O)C(=O)[C@@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H](C)Cc1ccccc1 27097582 PWUXNAGOBAFCRC-NRSPTQNISA-N 446.588 3.203 0 1 IGAF Cc1cccc(Nc2cc(Nc3cccc(C(=O)N(C[C@@H](C)O)C[C@@H](C)O)c3)ncn2)c1 39301228 TTWPSDZABVQRLN-QZTJIDSGSA-N 435.528 3.476 0 1 IGAF CCOc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCN(C)CC1 43197846 XMCPIPQYJNILQA-UHFFFAOYSA-N 438.507 3.070 0 1 IGAF COCCn1c(S)nnc1-c1cnc2c(C(F)(F)F)cccc2c1N1CCOCC1 45320720 KYBNQXTWLHKDTI-UHFFFAOYSA-N 439.463 3.284 0 1 IGAF C[C@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1C)c1ccccc1 95881075 INFASFKFRLPICJ-XWMPOLACSA-N 447.579 3.277 0 1 IGAF C[C@@H]1CC(n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C[C@@H](C)C1 112943303 ZVZCJAVCVUCKTG-HOTGVXAUSA-N 443.569 3.307 0 1 IGAF O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1)C1CCCCC1 169303194 GHZJIJIEDYPTRO-UHFFFAOYSA-N 435.571 3.350 0 1 IGAF C=[S@](N)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@@H]3CCC[C@H]3N(C)C)n2)cc1 169729138 BYWXXLZQYYXWME-KHFRWJKUSA-N 442.511 3.083 0 1 IGAF CC(C)(c1nc2nc(N3CCC[C@@H](C(=O)N4CCCC4)C3)ccc2[nH]1)n1cc(Cl)cn1 205300717 DWRUEFGJMMNWFI-OAHLLOKOSA-N 441.967 3.430 0 1 IGAF Cc1nc([C@](C)(CC2CC2)NC(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)no1 207740144 YAQFRDJMHLPUJZ-NRFANRHFSA-N 447.486 3.462 0 1 IGAF C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 261156241 PZAVORRBYNTKQS-HNAYVOBHSA-N 445.514 3.423 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 299879373 KPNJNVQYVALZFK-WNOPAQSVSA-N 434.492 3.490 0 1 IGAF COCCN1C(=O)CC[C@H](c2nc3ccc(C(N)=O)cc3[nH]2)[C@H]1c1ccccc1Cl 587063069 MQWLBJPPCQXOAD-MGPUTAFESA-N 426.904 3.409 0 1 IGAF CC(C)(C)OC(=O)N1CCOC[C@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586274 IHGQXRJUVLFXKM-RRMPHLOHSA-N 427.453 3.358 0 1 IGAF C[C@@]1(c2cccc(S(N)(=O)=O)c2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962946871 BIKLIDSLRXBMFF-IBGZPJMESA-N 440.487 3.268 0 1 IGAF COCC[S@@](=O)c1sc2nc(-c3nccs3)cc(-c3cnc(C)n3C)c2c1N 1772584266 CODOEAGTQUBEHK-MUUNZHRXSA-N 433.584 3.465 0 1 IGAF COCN1CN([C@H]2CC[C@H](CNCC(F)(F)F)CC2)c2c(c[nH]c3nccc2-3)C1=O 1772587534 WKXAHQFWZJACJR-HDJSIYSDSA-N 425.455 3.049 0 1 IGAF O[C@](Cn1cncn1)(Cn1cnc(SCc2cccc(F)c2)n1)c1ccc(F)cc1F 1857578159 IPQJFFXCDGRHCM-HXUWFJFHSA-N 446.458 3.167 0 1 IGAF COc1cc2ncnc(N3CCc4ccccc43)c2cc1NC(=O)/C=C/CN1CCOCC1 1857636388 LALBUHXVJKSUBF-QPJJXVBHSA-N 445.523 3.160 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)C(C)=CC)[C@H]21 2356579553 BCRODGCGQKENCQ-CNUABYCASA-N 446.540 3.411 0 1 IGAF CC(C)NC(=O)N1CCC[C@H](O)[C@@H](NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)C1 2356806667 AHMXZGGNVRTFHF-VXKWHMMOSA-N 443.519 3.078 0 1 IGAF CCOC(=O)N1c2c(c3ccccc3n2C(=O)OCC)C(=O)[C@H](OC)N1C(=O)OCC 1654589 HQAKEXUTVHEVBV-KRWDZBQOSA-N 433.417 3.151 0 1 IGAF O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4049388 YBWXNVICHDUORZ-CTNGQTDRSA-N 431.895 3.019 0 1 IGAF Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(N(C)C[C@H]4CCCO4)CC3)c2)on1 20580777 XJEYXURXTSAGML-HXUWFJFHSA-N 433.574 3.222 0 1 IGAF Cc1cc(OC[C@H](O)CNC(C)(C)Cc2cc3ccccc3[nH]2)ccc1S(C)(=O)=O 28135100 HGRAUZKBPSNHBQ-LJQANCHMSA-N 430.570 3.230 0 1 IGAF O=C(COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1)Nc1ccccc1 29465920 CLXQYPDPCUQTLM-OAQYLSRUSA-N 436.508 3.112 0 1 IGAF O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)C1CCNCC1 40943355 KVDHEMNUTADYJJ-UHFFFAOYSA-N 434.521 3.365 0 1 IGAF O=C(NC[C@H](O)c1ccccc1)c1ccc(N2CCC3(CCc4ccccc4O3)CC2)nn1 45352309 ABRPDNMHYXMRIE-QFIPXVFZSA-N 444.535 3.304 0 1 IGAF CN(CCCCOc1ccc(F)cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 48999056 KQROEEFEQDSOBP-JOCHJYFZSA-N 434.462 3.374 0 1 IGAF COc1cc2nc(N3CCC[C@@H](CO)C3)nc(NCCc3ccc(O)cc3)c2cc1OC 82127953 XJBTUUKFFPGDEL-QGZVFWFLSA-N 438.528 3.216 0 1 IGAF CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2ccco2)C1 82199391 YWELNZCXWQGFKW-ZWKOTPCHSA-N 430.501 3.013 0 1 IGAF O=C(NC[C@@H](O)c1ccccc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 82208467 FKYANUQPMHROCJ-BHDDXSALSA-N 440.540 3.309 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)NC[C@H]1C 95690656 NMVKSNPKIBDAFP-MCFFVMPBSA-N 443.519 3.172 0 1 IGAF O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2Cc1ccc(Cl)cc1 95894697 KGAZZJOVSJKWCZ-RJGXRXQPSA-N 426.944 3.442 0 1 IGAF 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Cc1cccc(Nc2cc(Nc3cccc(C(=O)N(C[C@H](C)O)C[C@H](C)O)c3)ncn2)c1 39301230 TTWPSDZABVQRLN-ROUUACIJSA-N 435.528 3.476 0 1 IGAF CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(N5CCCCC5)cc43)cc2)CC1 40938845 ZKLXKUXSMBWFGK-MOHJPFBDSA-N 445.567 3.152 0 1 IGAF O=C(N[C@H]1CCc2ccccc21)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 82219532 BNTVAZJVHSEMDJ-ODGPQVTHSA-N 448.567 3.460 0 1 IGAF O=C(c1ccncc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 95893834 NFDDLTTXLOEAOT-FDFHNCONSA-N 432.455 3.242 0 1 IGAF Cc1ccc(S(=O)(=O)Oc2ccc(-c3nc4ccccc4c4nc(=O)[nH]n34)cc2)cc1 103188575 NSQWTLXLAYJLGU-UHFFFAOYSA-N 432.461 3.314 0 1 IGAF Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c1 169341608 AIBWNTIBPKYYKA-UXHICEINSA-N 429.561 3.249 0 1 IGAF COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccccc4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O 587456423 VIGOEQYISSBUMQ-CDSRXRBVSA-N 430.412 3.452 0 1 IGAF O=C(O)CCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587585105 CJBSHQUBVVWZKN-PXDATVDWSA-N 445.427 3.461 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\NC(=O)CS2)(c2cccnc2)N1 587860103 ZXMVQHXLOVZDKH-CBMMMJMBSA-N 434.334 3.465 0 1 IGAF CC(C)(C)OC(=O)N1CC[C@H](F)[C@]2(C1)N[C@@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962640649 PNEWFIUDDNTTRJ-ZRGWGRIASA-N 448.413 3.358 0 1 IGAF COc1ccc2c(c1OC)[C@@](C)(c1c[nH]c(C(=O)O)c1)N(C(=O)c1ccccc1N)CC2 963160083 VOIGQWZBWWHXRN-XMMPIXPASA-N 435.480 3.274 0 1 IGAF CC(C)(C)c1cc(C(C)(C)C)cc(S(=O)(=O)NCc2ccc(C(=O)NCCN)cc2)c1 1857538698 HNTDEHBKKGOOED-UHFFFAOYSA-N 445.629 3.449 0 1 IGAF OC[C@@H]1[C@H](O)C[C@H](NCc2ccc(F)c(F)c2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356416693 BYFWZYIZSOUBFE-QNLWLWTNSA-N 443.469 3.251 0 1 IGAF Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)c(C)o1 4111656 BXYBGEAXGCDRSR-UHFFFAOYSA-N 440.588 3.009 0 3 IGAF Cc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 13544135 PHWFUOBMUZKVKW-PKTZIBPZSA-N 430.504 3.148 0 3 IGAF Cc1ccc(S(=O)(=O)C[C@@H]2O[C@@H]3CCCC[C@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 169299656 UQBVUWIFGBRGGC-VSKRKVRLSA-N 449.594 3.436 0 3 IGAF 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COc1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN(C)CCc3ccccn3)C2)cc1 12480769 BDQQCCKUPDWVKU-SFTDATJTSA-N 439.556 3.208 0 1 IGAF biogenic O=S(=O)(c1ccc(-c2ccnc(Nc3ccc(Cl)cc3)n2)cc1)N1CCNCC1 13588910 ADDJZCFRZPJIHD-UHFFFAOYSA-N 429.933 3.135 0 1 IGAF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCCO1)[C@@H](c1ccc(I)cc1)C2 13740287 QCUDYJXEEDCQAN-HZMVEIRTSA-N 426.298 3.021 0 1 IGAF COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\CCCC(=O)O)C[C@@H]13)O2 26144508 VKZZNADKILHZFB-DTOZKRLXSA-N 444.524 3.340 0 1 IGAF CN(C)c1ccc(-c2nc3c(N4C[C@@H]5[C@H](CCN5Cc5ccccc5)C4)ncnc3o2)cn1 28113202 YSVIIUBIAQWFIX-WOJBJXKFSA-N 441.539 3.457 0 1 IGAF Cn1c(N2CCO[C@@H](c3ccc(OCC4CC4)cc3)C2)nc(-c2ccncc2F)cc1=O 34642629 VVPZUPBIKZMPHD-JOCHJYFZSA-N 436.487 3.348 0 1 IGAF CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1C[C@H](C)CCCCCCCC(=O)N[C@@H](C)C(=O)N1 39148482 ZUIGWVKXPZANDI-MJCUULBUSA-N 439.641 3.050 0 1 IGAF in-vitro O=C(O)C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc2c1=O 43063010 SWTCOVTZHCWWLN-UHFFFAOYSA-N 446.228 3.178 0 1 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446.324 3.106 0 1 IGAF CCOC(=O)C(C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC 587800211 VZIDANWQHWCEOO-JEOXALJRSA-N 430.314 3.470 0 1 IGAF COc1ccccc1CNC(=O)c1cc([C@@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)c[nH]1 962927401 QRGOWXIFVBFXTM-AREMUKBSSA-N 446.551 3.064 0 1 IGAF COc1ccc2c(c1OC)[C@H](c1cccc3nc(C)nn13)N(C(=O)c1ccccc1N)CC2 963144402 SDKMIGPERJCMFV-QHCPKHFHSA-N 443.507 3.425 0 1 IGAF C[C@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2cccc3cnccc23)C1 1772585011 OZDVOBOUJBANEV-OAHLLOKOSA-N 446.511 3.256 0 1 IGAF CCO[C@@H]1OC[C@@]2(C(=O)OC)CCC[C@@]13[C@H]1C[C@@]4(OC)OC(=O)C=C4[C@H](C)[C@@H]1CC[C@H]32 1772613618 DCJZJZPAWZBROQ-MBUGQPDMSA-N 434.529 3.217 0 1 IGAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@H](C)[C@@]23C[C@](O)(COC2CCCC2)C(C(=O)O)=C3C1 2356497376 LSNZCSNGWVEELB-WPAZBSNISA-N 443.588 3.258 0 1 IGAF CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccc(OC)cc3)cc1)N1CCC[C@@]21C(=O)OC 36386480 WKSFBSDMHIOCLF-BILGYAHESA-N 448.519 3.046 0 3 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@@H]1C(=O)NCCCN1CCCC1=O 4153135 OSGHCYUHCSFEDY-VWNXMTODSA-N 435.524 3.306 0 1 IGAF COc1ccc(CN2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)C3(C)C)C2=O)cc1OC 15956158 VNZHXXKRVVNMNE-LJQANCHMSA-N 433.508 3.216 0 1 IGAF biogenic CCN(CC)C(=O)CNC(=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 26392720 BSJSJGWDVZKDCR-YTNHROHJSA-N 445.648 3.451 0 1 IGAF CS(=O)(=O)N1CCN(C(=O)CCCc2cn(Cc3ccccc3)c3ccccc23)CC1 28704791 KUWAXWWYVHCBSB-UHFFFAOYSA-N 439.581 3.116 0 1 IGAF C[C@@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C 95715718 NDWRSXXPENLXNY-XNBZMKDDSA-N 444.597 3.187 0 1 IGAF O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO 95907713 ZCCXSOMXQVMJIM-OKZBNKHCSA-N 443.466 3.138 0 1 IGAF CC(C)(C)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)NS(=O)(=O)c1ccc(Cl)cc1 101031829 BYRUPOPHUKCMFY-FICVDOATSA-N 428.938 3.323 0 1 IGAF Cc1nnc([C@@](C)(CC2COC2)NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)o1 146486251 GRCCRCIRSYGQEF-LJQANCHMSA-N 440.422 3.273 0 1 IGAF COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1OC 586953964 UYTKFHKFTIXFQN-UHFFFAOYSA-N 444.494 3.282 0 1 IGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(N3CCOCC3)ccc12 587591451 FJTGAFWLNZWCKI-PXDATVDWSA-N 444.443 3.038 0 1 IGAF CCOC(=O)[C@@H]1c2ccccc2OC[C@]12c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N12 962662777 JFARUIBXYRYUDE-MZBJOSPHSA-N 446.503 3.268 0 1 IGAF COc1ccc2c(c1)OC(C)(C)c1cnn(CCN3CCN(C(=O)c4ccco4)CC3)c1-2 1772634848 QLYVLKRHUFTDIK-UHFFFAOYSA-N 436.512 3.237 0 1 IGAF CNC(=O)c1cncc(OCCCCN2CCN(c3nsc4cc(F)ccc34)CC2)c1 1857646093 BFOVLXRLGAVDCG-UHFFFAOYSA-N 443.548 3.171 0 1 IGAF CCCSc1nc(Cl)c2c(n1)N(Cc1ccccc1)[C@@H](C(=O)N1CCOCC1)N2 1857745072 IKNSIFRGZMKLDC-SFHVURJKSA-N 433.965 3.249 0 1 IGAF CC[C@H](C)Sc1ccc([C@H]2N[C@@](CC(C)C)(C(=O)OC)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 36386549 XMVTWGBJLNVVPK-FIQIXKBOSA-N 432.586 3.410 0 3 IGAF COCCn1c(=O)c(CCc2ccccc2)nc2cnc(Oc3ccc(OC)cc3)nc21 4238610 HFJUUHQPAHYNAU-UHFFFAOYSA-N 432.480 3.419 0 1 IGAF COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccncc2)cc1 13443057 GRCGTSQMJBJUHW-OPAMFIHVSA-N 430.508 3.183 0 1 IGAF CCc1ccccc1NC(=O)[C@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(C)C 16042402 QABLATHOPYSBCI-HFJQGTKSSA-N 436.556 3.203 0 1 IGAF biogenic CCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc(OC)c2OC)C1=O 16043112 FZSKEBMKCPDKNV-AUSIDOKSSA-N 433.508 3.280 0 1 IGAF biogenic CCN1CCN(C(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)CC1 20415051 XBPZQMWJZPHFQS-UHFFFAOYSA-N 427.549 3.364 0 1 IGAF O=C(O)c1cn(C2CC2)c2c(F)c(N3CC(Sc4ncccn4)C3)c(F)cc2c1=O 28819213 NUFXMVRCLLEJQB-UHFFFAOYSA-N 430.436 3.084 0 1 IGAF O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CC[C@@H](O)C1 42989570 CTRFGUFUXSJXQG-HXUWFJFHSA-N 436.478 3.237 0 1 IGAF O=C(O)[C@@H]1CSc2c(-c3cccc(C(F)(F)F)c3)c(CN3CCOCC3)cc(=O)n21 71295779 YVPLTOTZTNFQSO-HNNXBMFYSA-N 440.443 3.098 0 1 IGAF CN1C(=O)[C@@](c2cccc(-c3cncnc3)c2)(c2cnn(CCC3CCCCC3)c2)N=C1N 72180462 IMPSJODCGOEHNO-RUZDIDTESA-N 443.555 3.341 0 1 IGAF CCNCc1ccc(C(=O)Cn2ncc(OCc3ccc(Cl)cn3)cc2=O)c(C)c1 169711458 JJDQHMFTVRJIPN-UHFFFAOYSA-N 426.904 3.172 0 1 IGAF COc1nc(C2CC2)nc2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 169711766 NQVWEEHMBOBYGM-UHFFFAOYSA-N 431.475 3.478 0 1 IGAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1 587204901 UOZKFFGHXFETTF-LBPRGKRZSA-N 435.244 3.423 0 1 IGAF Cc1ccccc1N1CC[C@H]2CN(CCCSc3nnc(-c4cnccn4)n3C)C[C@H]21 653723237 ANTOILZBKKIMIM-GHTZIAJQSA-N 435.601 3.273 0 1 IGAF CC[C@H](C)Oc1ccc([C@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1Cl 963213326 HLVBGYWZFKPTIB-RURTYGRKSA-N 428.920 3.088 0 1 IGAF COc1ccc(Cc2cn(CCNC(=O)Nc3ccc(Br)cc3)nn2)cc1 1857585690 XLCMLBSGUXVRAU-UHFFFAOYSA-N 430.306 3.462 0 1 IGAF Nc1nc(N2CCN(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c2nc[nH]c2n1 8553743 QAZUBKHRVWTMMY-UHFFFAOYSA-N 430.472 3.082 0 1 IGAF NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)c2ccccc2)CC1 13555109 RCFGLLJZALOABB-ZGSFMGIESA-N 449.595 3.343 0 1 IGAF CC(C)N1CNc2c(NCCNc3ccccc3)nc(N3CCCC[C@@H]3CCO)nc21 70719322 JHFDRGUNOBPDDX-LJQANCHMSA-N 425.581 3.340 0 1 IGAF COCCS(=O)(=O)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCN(C(C)=O)CC1 73197437 FEVKIXALEHGMMS-UHFFFAOYSA-N 435.590 3.012 0 1 IGAF CCCCOC(=O)COC(=O)CN(C)C(=O)c1csc(-c2ccccc2OCC)n1 82074113 NVLNVSPEMQAVGG-UHFFFAOYSA-N 434.514 3.167 0 1 IGAF COc1cc2nc(NCc3ccc(F)cc3)nc(N[C@H]3CCCCNC3=O)c2cc1OC 82130462 BHXQGUWHORCDCA-KRWDZBQOSA-N 439.491 3.479 0 1 IGAF CC(C)Cc1ccc(-c2csc(N3C[C@H](O)C[C@H]3C(=O)NC[C@@H]3CCCO3)n2)cc1 82194312 OTLFXMCHEADTJH-DYXWJJEUSA-N 429.586 3.243 0 1 IGAF CNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4ccc(Cl)c(F)c4)C3)n2)c1 118708751 UXXGKPGFNJPPCP-UHFFFAOYSA-N 428.855 3.035 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](CO)[C@H](C)CC 299883007 QQQQLTKCRKONKD-LOWKYEEOSA-N 430.589 3.095 0 1 IGAF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587231267 NCIQKBPYPRMIPE-QWHCGFSZSA-N 438.322 3.148 0 1 IGAF CCCCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(CCCC)c1=O 653822607 ATEZNJKGGIGILM-UHFFFAOYSA-N 439.560 3.118 0 1 IGAF COC(=O)CNCc1cc(C(=O)Nc2cccc(-c3ccccc3)c2C)c2nncn2c1 1857554136 KAMXKZUDJMVJNB-UHFFFAOYSA-N 429.480 3.220 0 1 IGAF COc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccc(Cl)cc1 1857764260 WMMJZVSXILOMRC-UHFFFAOYSA-N 442.884 3.219 0 1 IGAF CN1CCN(c2ccc(Nc3ncc(Cl)c(=NCCc4ccccc4F)[nH]3)nc2)CC1 1911577214 MUXJHEOYNWDALU-UHFFFAOYSA-N 441.942 3.236 0 1 IGAF CC(=O)O[C@H]1C[C@@]2(C)C(=C[C@H]1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 2356412742 YUMMGXLKDXXRGS-SLKPMULUSA-N 430.541 3.066 0 1 IGAF O=C1Nc2ccccc2C1=C1C(=O)Nc2cc3c(cc21)NC(=O)C3=C1C(=O)Nc2ccccc21 3845566 MSKGXOCUWLUZQA-UHFFFAOYSA-N 446.422 3.317 0 1 IGAF biogenic Cc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NC(C)C)c(=O)c3c2)cc1C 6181288 BONBHZAXQAWHTB-UHFFFAOYSA-N 427.526 3.108 0 1 IGAF Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 8589324 WDEIGTNXUTVSII-FQEVSTJZSA-N 441.553 3.041 0 1 IGAF CCCC1=CC2=CC(=O)[C@](C)(OC(=O)c3c(OC)cc(O)c(Cl)c3C)[C@H](O)[C@@H]2CO1 14723246 ZGNHKNQTDPXJQE-ZFGLAFRWSA-N 436.888 3.479 0 1 IGAF biogenic CC(C)(Cc1ccc(NS(=O)(=O)NC2CCCCC2)cc1)NC[C@H](O)c1cccnc1 26969433 KYKMCPSZJQWNET-QFIPXVFZSA-N 446.617 3.305 0 1 IGAF CC(=O)Nc1ccc(Oc2ccc(N3C[C@H](CNC(=S)N(C)C)OC3=O)cc2F)cc1 28370573 MAJFYWIYTIKRAZ-KRWDZBQOSA-N 446.504 3.338 0 1 IGAF O=C1[C@H]2CCCC[C@H]2C(=O)N1CCCCN1CCN(C2=NSCc3ccccc32)CC1 31439266 GTAIPSDXDDTGBZ-OYRHEFFESA-N 440.613 3.168 0 1 IGAF world COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)OC(C)(C)C)CC1 34585394 NCZAACXTDLJTPM-UHFFFAOYSA-N 427.929 3.077 0 1 IGAF O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccccc1Cl 40899727 ZFEBLMBFMZSFQY-REWPJTCUSA-N 436.939 3.401 0 1 IGAF COc1cccc(CNC(=O)CN(C)C(=O)c2csc(Nc3ccccc3)n2)c1OC 82085684 DHWRDUYUVRXAIR-UHFFFAOYSA-N 440.525 3.292 0 1 IGAF COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NC[C@@H]3CCCO3)c2cc1OC 82125072 YNWGCVKRFOWXNP-FXAWDEMLSA-N 438.528 3.408 0 1 IGAF COc1ccc(C(=O)N2CC[C@@H](O)[C@H](N3CCC(C(=O)c4ccc(F)cc4)CC3)C2)cc1 84731135 ZFFNTXXPZGMRNK-DHIUTWEWSA-N 440.515 3.005 0 1 IGAF CCN1CCC[C@H]1CNc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1 87612999 AJVXWLHSUVHVRS-RBBKRZOGSA-N 448.571 3.140 0 1 IGAF COC1=C(c2ccc(Cl)cc2)C(=O)O[C@@H]1[C@@H](O)c1ccc(N2CCOCC2)c(F)c1 95594056 YZGLTMYTBNGJFV-PZJWPPBQSA-N 433.863 3.332 0 1 IGAF CO[C@H](CN(C)Cc1ccc2c(c1)OCO2)[C@H](C)CN(C(=O)c1ccccc1)[C@@H](C)CO 95898978 RDQYWFNTQPCNSM-YDIMBITNSA-N 442.556 3.021 0 1 IGAF C[C@@H](CS(=O)(=O)CC/C=C/Cn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 96172747 KBBSFPYKJIUXHR-SRSGJAESSA-N 446.569 3.023 0 1 IGAF Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)c2)n(C)n1 96273375 XYJONLOLMGUYBZ-UHFFFAOYSA-N 431.456 3.164 0 1 IGAF CCOC(=O)[C@@H](CC)N1C(=O)[C@@H](C)Oc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21 103175962 ARBWOBJTYPGUSS-MLGOLLRUSA-N 444.459 3.025 0 1 IGAF NC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)cc2c(N[C@H]3CCCNC3)ncnc12 114346799 JZSOIKWBCKPKSW-AWEZNQCLSA-N 431.418 3.458 0 1 IGAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN(C)CC(=O)O)cc2C)ncn1 145420189 CLZSYVGZKXZBHQ-UHFFFAOYSA-N 425.533 3.180 0 1 IGAF O=S1(=O)N(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)CCCN1C1CCC1 148443887 WVJROGAABJNRKL-GOSISDBHSA-N 449.523 3.239 0 1 IGAF CCN1CC(C(=O)NC[C@H]2CCc3cnc(-c4ccc(Cl)c(Cl)c4)n3C2)=C(O)C1=O 222717711 GFYFANNZLBRIJS-GFCCVEGCSA-N 449.338 3.210 0 1 IGAF Cn1cc(-c2ccc(Cn3nc(C(=O)N[C@H]4CCCC[C@@H]4O)c4ncccc43)c(F)c2)cn1 473135117 LKHOWSWHCJVABM-FPOVZHCZSA-N 448.502 3.053 0 1 IGAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@H]1CN(Cc2ccccc2)CCO1 587275516 CMTJDOMSOHQUGB-MRXNPFEDSA-N 431.286 3.166 0 1 IGAF CC[C@@H]1[C@@H](C(=O)OC)[C@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 587397265 ZAGXCKTUKWDQBP-QSAZIKIQSA-N 432.517 3.490 0 1 IGAF CNS(=O)(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587611127 ZFTBJBUCHCDGOW-UGKGYDQZSA-N 425.462 3.177 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 587841553 RDOGBDZJIZXOPQ-KRGWDZPISA-N 445.398 3.433 0 1 IGAF Cc1c([C@]2(C)NCCc3nc4ccccn4c32)nnn1Cc1ccc(Br)cc1 962990628 RTWPURUTNADJIF-NRFANRHFSA-N 437.345 3.454 0 1 IGAF CCOc1n[nH]c2cc(NC(=O)N[C@@H]3CN(C)[C@@H](C(F)F)[C@H]3c3ccccc3)ncc12 1772604001 VXFQVNHPXSRXFR-BPQIPLTHSA-N 430.459 3.210 0 1 IGAF CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@@H]2CCOC2)c(=O)n4C)cn1 1772653689 NJZBNLVCEXZHPD-LJQANCHMSA-N 447.539 3.242 0 1 IGAF O=C(NC1CCCCC1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Nc1nccc(-c2cccc(F)c2)n1 2356810776 BBHWCGHKLGCPGO-XRXFAXGQSA-N 442.491 3.288 0 1 IGAF CC(C)(C)OC(=O)CNC(=O)c1[nH]cnc1C(=O)NC(c1ccccc1)c1ccccc1 15937096 GDHJLWFFELBOHM-UHFFFAOYSA-N 434.496 3.001 0 3 IGAF O=C(NCc1ccccc1)c1cc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)on1 61927321 CJKPGLGBBUFMKZ-SFHVURJKSA-N 425.510 3.173 0 3 IGAF COC(=O)[C@H](CC(C)C)N1Cc2cc(OC)cc(OC)c2-c2ccccc2S1(=O)=O 61944797 FWSNTOTUZAVUBL-SFHVURJKSA-N 433.526 3.463 0 3 IGAF CCOc1ccccc1NC(=O)CCc1nnc2s/c(=C\CCc3ccccc3)c(=O)n12 5813523 HFMMIAGEXRUHSN-ZHZULCJRSA-N 448.548 3.253 0 1 IGAF CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4CCCN4[C@@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 6576817 SBHPYWUIZUXOQZ-UWHLTILDSA-N 436.895 3.378 0 1 IGAF CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)[C@@H](c1ccccc1)O2 14966293 BBUAFKOJRUKNLF-OAQYLSRUSA-N 433.512 3.374 0 1 IGAF Cc1cc(Br)ccc1CN1[C@]2(CC(O)=NC2=O)c2ccccc2S1(=O)=O 27524006 IDNRSIWGGUVUAV-GOSISDBHSA-N 435.299 3.044 0 1 IGAF CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1cccc(Cl)c1F)C2)S(C)(=O)=O 40845523 ICURCJQMZRIVGC-UHFFFAOYSA-N 449.891 3.285 0 1 IGAF CC(C)NC(=O)Cn1c(-c2cccc(Cl)c2)cn2cc(OC3CCNCC3)cc2c1=O 58575277 LQWURXMNUIHWBJ-UHFFFAOYSA-N 442.947 3.077 0 1 IGAF COc1ccc2c(c1)C[C@@H](c1nc(N(C)CCO)c3cc(-c4cn[nH]c4)ccc3n1)CO2 66099987 GUPQPEYJXDUSJM-QGZVFWFLSA-N 431.496 3.176 0 1 IGAF CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)c2cnccn2)C1 82198915 CWUVTDXSEVYVLA-UNMCSNQZSA-N 438.572 3.490 0 1 IGAF O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(F)cc1)C[C@H](Cc1ccccc1)N2 82205133 BWUDDQDLZSJBOR-NRFANRHFSA-N 446.482 3.439 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3ccccc3F)n2)CC1 82216997 FNAJLPLUKYBXKH-IERDGZPVSA-N 439.535 3.260 0 1 IGAF Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccnc(N4C[C@H](C)N[C@H](C)C4)n3)cc2F)o1 95598584 XPVALBXVQVNPIO-OKILXGFUSA-N 445.520 3.172 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)NC[C@H]1C 95688527 VMZAIKVTLMIHQJ-HYFFOGBASA-N 440.544 3.424 0 1 IGAF N=C(CN1CCCC2(CCN(c3cnc4ccccc4n3)CC2)C1=O)c1ccccc1N 96173167 ZLOPZXCPZADDAN-UHFFFAOYSA-N 428.540 3.489 0 1 IGAF O=C(c1c(F)ccc(NS(=O)(=O)c2ccccc2F)c1F)c1c[nH]c2ncncc12 113487143 VOPWYDKYPKPZAM-UHFFFAOYSA-N 432.383 3.407 0 1 IGAF Cc1nc2c(N3CCOCC3)nccn2c1-c1cnn(Cc2ccc3ccccc3n2)c1 169333457 XAIHQMIYPOPALA-UHFFFAOYSA-N 425.496 3.334 0 1 IGAF COc1c(F)cccc1-c1noc([C@@H]2CCN2C(=O)c2cc(C)ccc2-n2nccn2)n1 218067356 LBWZEGBRYDWCLD-SFHVURJKSA-N 434.431 3.361 0 1 IGAF COC(=O)c1cc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2cn1 586954776 IMKPIUMCIVUGFK-UHFFFAOYSA-N 442.541 3.436 0 1 IGAF COC(=O)C(=O)c1c(-c2ccc(Br)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587648452 DXQZQDWWXAGPQQ-UHFFFAOYSA-N 436.283 3.357 0 1 IGAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@H]2c1c(Br)c(C)nn1C 963185926 JHCGXKBXCGYSGO-GOSISDBHSA-N 436.350 3.249 0 1 IGAF CNC(=O)c1cccc(Nc2ncnc(N3CC(COc4ccc(Cl)cc4C)C3)n2)c1 1772652766 PEWHBFKHYMRHSX-UHFFFAOYSA-N 438.919 3.452 0 1 IGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)N3CCNCC3)cc21 1857591675 TWMGQXHXOLAJQC-UHFFFAOYSA-N 440.547 3.386 0 1 IGAF CCC(=C1CCN(C(=O)c2cnn(-c3nc(=O)c4cccn4[nH]3)c2C)CC1)C(F)(F)F 1857605094 YQRFBKLNFMHTJP-UHFFFAOYSA-N 434.422 3.022 0 1 IGAF CC1=CCCc2cc(O)cc(c2)NC(=O)C[C@H](O)C=CC=CC=CC[C@H](O)[C@@H](C)[C@H]1O 2356794098 KXWDPYXMNSFEBO-XHYJFUKLSA-N 427.541 3.391 0 1 IGAF CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(C)C(=O)[C@@]2(C)c2[nH]c3ccccc3c21 2136915 SOZNDALMAYKEFU-SSOJOUAXSA-N 433.508 3.237 0 1 IGAF biogenic O=C([C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12)N1CCN(c2ccccn2)CC1 2466626 SIZDSIMGIITMOV-RPBOFIJWSA-N 438.531 3.267 0 1 IGAF COc1ccc2c(C(=O)N(C)CC(N)=O)c(OCC(F)(F)F)ccc2c1C(F)(F)F 13823605 GBOCAVCMSHFJPU-UHFFFAOYSA-N 438.324 3.366 0 1 IGAF CNC(=O)c1cc2c(Oc3ccc(NCCCN4CCN(C)CC4)cc3)cncc2s1 22941932 HINBRASKMZKQNJ-UHFFFAOYSA-N 439.585 3.498 0 1 IGAF CNC[C@H]1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 32016803 SOZLABVDYGGOQU-GFCCVEGCSA-N 431.414 3.152 0 1 IGAF COc1c(N2CC[C@@H](C(C)(C)N)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 34894595 CECJUHKZSOSOJJ-SNVBAGLBSA-N 432.521 3.363 0 1 IGAF in-vivo O=C1CC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@]2(O)C1 71340514 HXIJXOIWUDECLR-RBUKOAKNSA-N 428.840 3.164 0 1 IGAF CC(=O)N1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2cccc(C)c2)CC1 82146323 DQQLFKLRTGKFFK-KDURUIRLSA-N 435.572 3.239 0 1 IGAF CC(=O)NCCNc1ncc(C(=O)NCCc2cccc(F)c2)c(-c2cccc(C)c2)n1 82147016 GFRUQPDEFMSCLI-UHFFFAOYSA-N 435.503 3.112 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)NC[C@@H]1C 95688100 BCNSWJISNLDVIF-GSHUGGBRSA-N 425.529 3.033 0 1 IGAF CCOc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2CCCn2ccnc2)cc1 110757287 IPPUYMJYXIZKOQ-VQTJNVASSA-N 437.521 3.385 0 1 IGAF Nc1ncc(-c2ccc(S(=O)(=O)NC3CCC3)cc2)cc1-c1ccc2c(c1)CCNC2=O 203852266 SYOUTVSKCAYFCB-UHFFFAOYSA-N 448.548 3.115 0 1 IGAF Cc1cc(-c2noc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4[C@@H](C)O)n3)n2)ccc1Cl 221680955 CTNWFAVTVAQWHU-YWPYICTPSA-N 444.879 3.368 0 1 IGAF COc1cc(-c2cnn3cc(-c4ccc(N5CCNCC5)cc4)cnc23)cc(OC)c1OC 299836930 OTMZESJOOWWVGH-UHFFFAOYSA-N 445.523 3.499 0 1 IGAF CN(Cc1ccccc1C(F)(F)F)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 473093143 SVHIWIKWDXGOAI-WOSRLPQWSA-N 442.463 3.359 0 1 IGAF COc1ccccc1NS(=O)(=O)c1ccc2nc(CSC(C)(C)C(=O)O)[nH]c2c1 586958473 DMOKXIVZRXJJEC-UHFFFAOYSA-N 435.527 3.469 0 1 IGAF Cc1nc(CC(C)C)cc(-c2nc(-c3ccc(O[C@@H]4CCC(=O)NC4)c(F)c3)no2)n1 653767610 GMEODUAZQQLOFF-MRXNPFEDSA-N 425.464 3.497 0 1 IGAF COc1ccc2c(c1OC)[C@H](c1ccccc1OCCO)N(C(=O)c1ccccc1N)CC2 963158285 NKUPEGNTHCERER-DEOSSOPVSA-N 448.519 3.445 0 1 IGAF COCCN1CCN(c2ccn3cc(-c4cc(Cl)c(OC)cc4OC)nc3c2)CC1 1857609323 VYGFUAGJMBPIKX-UHFFFAOYSA-N 430.936 3.440 0 1 IGAF CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@@]32O)C[C@H]1O 2356699262 LSZYEBCGEREENJ-VHRKKAMBSA-N 432.557 3.146 0 1 IGAF O=C(C1=C[C@H](c2ccc(C(F)(F)F)cc2)C[C@H](OCCCCO)O1)N1CCOCC1 13656793 NPJFRYTYLZKOQH-QFBILLFUSA-N 429.435 3.067 0 3 IGAF O=C(NCCC1=CCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc12 2464795 STKRBPYPRVTEEZ-UHFFFAOYSA-N 443.569 3.323 0 1 IGAF CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N2CCOCC2)cc1 4081123 VNBSYORVMNOXEW-TZIWHRDSSA-N 431.895 3.496 0 1 IGAF CCOC(=O)[C@@H]1CCCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C)C1 12021869 IXCYMQCLCFTHCE-LJQANCHMSA-N 445.523 3.152 0 1 IGAF CCOC(=O)[C@@H](C)Oc1cccc(N(Cc2cccnc2)S(=O)(=O)CC(F)(F)F)c1 26848991 WASPFBKLPKZFNP-CQSZACIVSA-N 446.447 3.311 0 1 IGAF CCOC(=O)C1=CN(CCCc2cn(Cc3ccccc3)nn2)C(=O)N[C@H]1c1ccccc1 38142367 PJXXYBZEETUSBH-QHCPKHFHSA-N 445.523 3.473 0 1 IGAF O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)[C@H]1CCCNC1 40937384 NDTCTCKVFXXKQH-SFHVURJKSA-N 434.521 3.365 0 1 IGAF CS(=O)(=O)CCOCc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1 43177812 ZLZPEQQENNPQJB-UHFFFAOYSA-N 438.358 3.333 0 1 IGAF CC(C)(C)c1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 49071811 BXNCZSLAPQETHQ-BDHVOXNPSA-N 437.001 3.460 0 1 IGAF CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3C[C@@H]4[C@H](N)C[C@]4(C)C3)c12 95921170 UYSFLJHCRMWPCF-CKNGIIGNSA-N 448.506 3.356 0 1 IGAF in-vitro Cc1ccc(C(=O)N2CCC(c3cc(C)nn3-c3ccc(S(N)(=O)=O)cc3)CC2)cc1 96934846 MFEQRBJXYVHTIY-UHFFFAOYSA-N 438.553 3.156 0 1 IGAF COc1cn(-c2ccc(N3CCCC3=O)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O 114007255 OFVFNTBDENFPGH-UHFFFAOYSA-N 445.454 3.360 0 1 IGAF Cc1nc(N2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)CC2)ncc1C(F)(F)F 116773269 FMYLABPQNXURPE-CQSZACIVSA-N 445.449 3.126 0 1 IGAF Cc1nc(N2C[C@@H]3CN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@H]3C2)nc(C)c1C 116823944 RIMXBFLZUOUWGP-ROUUACIJSA-N 432.503 3.206 0 1 IGAF COc1cc(OC)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1 116825628 BHCSNOBCPPLBRX-IYBDPMFKSA-N 436.537 3.431 0 1 IGAF CN(C)CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(F)cc2)CC3)n1 169702314 YRIGWABLVIYJMB-UHFFFAOYSA-N 432.507 3.284 0 1 IGAF COc1ccc(CNC(=O)c2ccc(CN=c3c(O)c(O)c3=NC3CCCCC3)cc2)cc1 299872436 PYJNLXTXSVRWEF-UHFFFAOYSA-N 447.535 3.246 0 1 IGAF aggregator C[C@]1(c2cc(NC(=O)c3cnc(Cl)cn3)ccc2F)NC(=N)CO[C@H]1C(F)(F)F 473151806 RCCXUFNTTANXEO-HZPDHXFCSA-N 431.777 3.265 0 1 IGAF COC(=O)c1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1OC 586969216 IGBMUGHPRJGAMT-UHFFFAOYSA-N 440.437 3.429 0 1 IGAF CCOC(=O)CN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587595641 PRUIVNSQQIPELW-OFVILXPXSA-N 445.427 3.159 0 1 IGAF COc1ccc(/C=C/C(=O)OCC(=O)N=c2c3c([nH]c4ccccc24)CCCC3)cc1O 653854487 PNEWAIXXVRKTND-ACCUITESSA-N 432.476 3.445 0 1 IGAF O=C(O)COc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1Cl 962975024 XFYZFUUEHJANFE-PXAZEXFGSA-N 432.206 3.423 0 1 IGAF CCOC(=O)c1cnc([C@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)s1 963137110 HHFKPIJLWMWKHB-ZYHUDNBSSA-N 439.515 3.112 0 1 IGAF CCOC(=O)[C@@H](C)Oc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1OCC 963522111 DZFKRUDEJPYIGV-JVJLVOBOSA-N 443.496 3.118 0 1 IGAF C[C@H]1CN(c2nc(O)c(-c3nc4ccccc4s3)c(N[C@@H]3CCCNC3)n2)C[C@@H](C)O1 1772583565 KUUIAYXXYYMEIN-QLFBSQMISA-N 440.573 3.236 0 1 IGAF c1cc(C2=NCCN2)ccc1SCCOCCSc1ccc(C2=NCCN2)cc1 1857537316 XSVXMKDIVBGISW-UHFFFAOYSA-N 426.611 3.287 0 1 IGAF O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCC[C@H](O)CC2)c1 1857539689 NSLSKJKZXLPNLP-AWEZNQCLSA-N 444.887 3.406 0 1 IGAF Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCN[C@@H](C)C4)cc3F)sc2n1 1857595225 QQCYLOPXFWAZTP-ZDUSSCGKSA-N 445.539 3.236 0 1 IGAF C[C@@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12NC[C@H](CO)C[C@@H]2O 2356557861 DWHZMCMBSAKZFV-DSMYPIHGSA-N 445.644 3.230 0 1 IGAF C[C@@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12NC[C@H](CO)C[C@H]2O 2356745926 FBKQAVWTYDQPAB-FSAMIXHDSA-N 447.660 3.310 0 1 IGAF COc1ccc(CCCOC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1OC 13441807 ZFFDPMCCPRBYOG-HXUWFJFHSA-N 447.553 3.423 0 1 IGAF C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 26264753 RDLUEGIXKAVUIY-MHECFPHRSA-N 444.579 3.049 0 1 IGAF COc1cc([C@@H](O)[C@@H](C)Oc2c(OC)cc(/C=C/CO)cc2OC)cc(OC)c1OC 34206517 QHYPOKHWZKVCEW-BUNWUOFNSA-N 434.485 3.236 0 1 IGAF COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CC(C)(C)C)CC1 40412098 MLRCLAJNJZBPHO-UHFFFAOYSA-N 439.984 3.352 0 1 IGAF CC(=O)OC[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 43070656 DDNABHAQYYBVSZ-YADHBBJMSA-N 440.540 3.413 0 1 IGAF Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccc(C)cc32)[C@@H]2CCCN21 58523812 AJLWQLFSQWOCDO-LIOHBJMPSA-N 428.536 3.241 0 1 IGAF O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 95675769 WWBREHKQUAGTED-VXNXHJTFSA-N 443.503 3.192 0 1 IGAF O=C1OC[C@H](c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 116186933 MZIYCKOPUPWWPV-GOSISDBHSA-N 442.414 3.413 0 1 IGAF CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)CC[C@H](C)Cc1ccccc1 261155809 PWUXNAGOBAFCRC-JBACZVJFSA-N 446.588 3.203 0 1 IGAF Cc1nn(C2CNC2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O 261188707 YHZBCBREIIKZHU-HXUWFJFHSA-N 447.930 3.399 0 1 IGAF COc1ccc([C@@H]2[C@@H]3COc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)cc1 299869877 VOHLZLMXJGAAHT-NFBKMPQASA-N 435.505 3.317 0 1 IGAF CN1CCN(c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)CC1 299871006 XMNZHSUUFRYKNM-UHFFFAOYSA-N 439.991 3.260 0 1 IGAF Cn1nnnc1COc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587583625 UNBJKLGWRDGCKE-OFNKIYASSA-N 430.420 3.198 0 1 IGAF Cc1nn(C)c(SCC(=O)O)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587843749 JFMCMOVHCQWPKS-ZKANADHPSA-N 428.327 3.430 0 1 IGAF Cn1c(SCCCN2C[C@H]3CCN(c4ccccc4)[C@H]3C2)nnc1C1CCOCC1 653719482 BGRFOPBDZYUOMJ-CTNGQTDRSA-N 427.618 3.402 0 1 IGAF CN1C(=O)C[C@@H]2CN[C@@]3(CCC4=C3[C@@H](c3ccccc3)C=C(C(=O)O)N4)c3cccc1c32 963028234 LPXWNEQEQVFYBF-VDYXTEHCSA-N 427.504 3.339 0 1 IGAF Oc1nc(N2CCOCC2)nc(N[C@@H]2CCCC[C@H]2O)c1-c1nc2ccccc2s1 1772597976 XKLORZKESRVPEZ-UKRRQHHQSA-N 427.530 3.011 0 1 IGAF COc1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc3cccnc23)CC1 1772639385 PITRVDNYLFADRD-UHFFFAOYSA-N 441.553 3.065 0 1 IGAF COc1cccc(NC(=O)NC[C@@H]2O[C@@H](Cc3cc(-c4ccccn4)on3)CC[C@H]2O)c1 2356288287 ZXNXLISHQPBABM-UZKOGDIHSA-N 438.484 3.018 0 1 IGAF CC[C@H](Cc1ccc(O)c(OC)c1)[C@@H](O)C[C@@H](O)CCc1cc(OC)c(O)c(OC)c1 2356359501 MFCJDUXQCIFTJS-HBFSDRIKSA-N 434.529 3.437 0 1 IGAF O[C@@H]1[C@H](NCc2cc(-c3ccccc3)no2)[C@H]2CO[C@@H](O2)[C@H]1n1cc(-c2ccccc2)cn1 2356626156 MNKFVZVBMKVMSL-RXFVIIJJSA-N 444.491 3.021 0 1 IGAF CCCCNC(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1COc2ccccc2O1 2971204 AMFRKAFQIJKJSF-MRXNPFEDSA-N 439.537 3.245 0 3 IGAF COc1cc([C@@H](O)[C@H](C)Oc2c(OC)cc(/C=C\CO)cc2OC)cc(OC)c1OC 14611835 QHYPOKHWZKVCEW-HZBLIWMUSA-N 434.485 3.236 0 1 IGAF endogenous,in-man COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(C)c(C)[nH]3)cc2)cc1OC 26017414 XGYHUUYQWKNKNK-FQEVSTJZSA-N 425.529 3.283 0 1 IGAF CS(=O)(=O)Nc1cc([C@H](O)CN[C@@H](Cc2ccccc2)c2ccccc2)ccc1O 26822056 GTHURDNXWAMVPK-NZQKXSOJSA-N 426.538 3.371 0 1 IGAF CN1CCN=C1c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(F)c1 28234383 FBHMZKMWVJUMTC-UHFFFAOYSA-N 433.422 3.038 0 1 IGAF C[C@H]([C@H](O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2ccc3c(c2)COCC3)CC1 28952097 XYESQXUVTLGLPS-NSYGIPOTSA-N 436.552 3.050 0 1 IGAF CC(=O)OCC(=O)N1CCC(c2nnc3ccc(Sc4ccc(F)cc4F)cn23)CC1 35880667 SULJLPNAVBCKJL-UHFFFAOYSA-N 446.479 3.428 0 1 IGAF C=CC(=O)N1CCC[C@@H](Nc2nc(Nc3ccc(N(C)C(=O)CC)cc3)nc3[nH]cnc23)C1 66099688 OTPQDXLFXQGSHS-MRXNPFEDSA-N 448.531 3.058 0 1 IGAF O=C(c1ccc([18F])cc1)N1CCO[C@H]2C[C@@H](O)[C@H](N3CCC(c4ccccc4)CC3)C[C@@H]21 101473832 PILVQYHTDSKTBX-JVIODBONSA-N 437.546 3.438 0 1 IGAF Cc1nc(-n2ccc(OC[C@H]3CCCO3)cc2=O)sc1C(=O)NCc1ccccc1 103230891 ADEUYAXXUHPWMD-GOSISDBHSA-N 425.510 3.090 0 1 IGAF COc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2NCCCCN)cn1 103252874 YFADMXXBCGYBGB-UHFFFAOYSA-N 426.542 3.374 0 1 IGAF O=C(NCCN1CCC2(CC1)C(=O)NC[C@H]2c1ccc(F)cc1)c1cc2ccccc2[nH]1 205620884 MLJJFIFPBSIXMF-FQEVSTJZSA-N 434.515 3.033 0 1 IGAF O=C(Nc1ccc(CN2CCOCC2)cc1)c1[nH]ncc1Nc1ncnc2ccsc12 205803381 MQQJPZHXGJGMDE-UHFFFAOYSA-N 435.513 3.243 0 1 IGAF COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)[C@H]5O[C@H]6CN[C@H]5C6)ccc4c3c2)c1 221258690 PZZOSNLCPHNUSM-MCCOCYNGSA-N 441.487 3.408 0 1 IGAF O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 230535323 LZCHTDQRMCSDSE-SSPYTLHUSA-N 432.524 3.060 0 1 IGAF CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)C1 299881553 OELKGHXKPHEUNY-QFIXIFRTSA-N 429.879 3.308 0 1 IGAF CCCCNS(=O)(=O)c1ccc2nc(-c3[nH]nc(OCC)c3Br)[nH]c2c1 586979399 BWINPTLFVIREQT-UHFFFAOYSA-N 442.339 3.193 0 1 IGAF CCOc1cc2oc(=O)c(-c3nc4c(O)nc(S)nc4[nH]3)cc2cc1Br 586999773 HVXXHQBXSRWOMX-UHFFFAOYSA-N 435.259 3.282 0 1 IGAF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(O)nc(S)nc2[nH]1 587140055 AJHJBMGFBKQMIH-NSHDSACASA-N 445.929 3.205 0 1 IGAF CCC[C@@]1(CC(=O)N[C@H]2CCOC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338118 QLXHOEBSNAARMH-VNZMSGEBSA-N 441.455 3.251 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc3c(c1)OCO3)CC2=O 587483690 GAWDOVRSSLOWHO-QHCPKHFHSA-N 426.421 3.066 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cc(C(=O)O)nn2)(C(C)(C)C)N1 587758407 IUNQZGSSGHZJQD-XTZNXHDOSA-N 425.302 3.354 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OCCCO3 587792884 MYNGNDCCKHWWAH-SBKAZYGRSA-N 433.277 3.479 0 1 IGAF CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587800267 WLNBJRDMEWGDBJ-CENXUZMRSA-N 430.314 3.470 0 1 IGAF CC(=O)OC[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 2356508065 BMTLRDYVZOBQND-RAZDBDARSA-N 432.557 3.148 0 1 IGAF CN1OC[C@@H]2CN(C(=O)CCc3ccccc3)[C@H](c3cccc(N4CCOCC4)c3)C[C@@H]21 61943070 CBEKMYGFBJYPBT-HVCNVCAESA-N 435.568 3.291 0 3 IGAF CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 2487461 MVJCVUDSVFLGLF-HKUYNNGSSA-N 449.617 3.040 0 1 IGAF N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)C(c1ccccc1)c1ccccc1 13779033 NYKDSKBIFUEWIT-UKILVPOCSA-N 427.548 3.453 0 1 IGAF COc1ccccc1N1CCN(C2CCC(N3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)CC1 13802416 XCFCKCLGAXZMCO-ZAYGCWILSA-N 425.573 3.304 0 1 IGAF CCCn1c(=O)c2c(nc3n2CCCN3CCc2c[nH]c3ccccc23)n(CCC)c1=O 28872426 IYJWEWDJSIZCDN-UHFFFAOYSA-N 434.544 3.114 0 1 IGAF CC(C)(Cc1ccc(Br)cc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 34630844 CUTPRGMUKBUUQS-KRWDZBQOSA-N 435.318 3.130 0 1 IGAF CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3cnc4ccccc4c3)C(=O)O2)cc1 40895568 DEQHLCSNLCBPHA-XSVRQMNWSA-N 432.476 3.219 0 1 IGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C4=CC(=O)OC4)C(=O)C[C@]32O)C1 58468867 JIOXQMJNOROPDA-VZVCLOTHSA-N 430.541 3.354 0 1 IGAF CN(C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2CN1 58569285 DTFXMUGNPMSNRG-NRFANRHFSA-N 439.947 3.324 0 1 IGAF CN1CCN(c2ccc(NC(=O)c3c(NCCc4ccccc4)cc[nH]c3=O)cc2)CC1 59033221 FFISLEBJBDWQBI-UHFFFAOYSA-N 431.540 3.034 0 1 IGAF O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccc(F)c1 95894689 IRGPAELJLNMAJN-CUYJMHBOSA-N 430.479 3.384 0 1 IGAF CC[C@@H](O)CC(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 100637081 NQBCTWVAMGEJDT-QHAWAJNXSA-N 429.605 3.455 0 1 IGAF COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@]13[C@H]1[C@H]2OC[C@H]13 100767340 UKKISEARMRFGRE-SLSISDSVSA-N 426.465 3.321 0 1 IGAF O=C1N=C2C=C(Cl)C=C[C@@H]2N1C1CCN(CCCN2C(=O)N=C3C=CC=C[C@H]32)CC1 102314899 FVLUPQQGKCGHMN-UXHICEINSA-N 425.920 3.150 0 1 IGAF CN1CCC[C@@H]2CN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(O)cc3)C[C@H]21 299805962 JBUVEDXBSJTVCV-JLCFBVMHSA-N 437.471 3.064 0 1 IGAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)cc1 586944500 KOBUKSUGRHHLEZ-UHFFFAOYSA-N 448.504 3.010 0 1 IGAF CCOC(=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 587002134 IVHROCKEFLPPLZ-UHFFFAOYSA-N 444.285 3.470 0 1 IGAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587062820 WUAKGGLHBYEBLG-FQEVSTJZSA-N 442.947 3.497 0 1 IGAF O=C(O)c1cc2c3c(c1)[C@]1(Oc4ccccc4C(=O)[C@H]1C(=O)c1ccco1)C(=O)N3CCC2 587591018 UAVGNCSMLJULEK-UQBPGWFLSA-N 443.411 3.240 0 1 IGAF O=C(COc1ccc(F)cc1)N[C@H]1CC[C@H](NC(=O)COc2ccc(Cl)cc2)CC1 621432718 JJBZIMZRZQRHPW-IYARVYRRSA-N 434.895 3.481 0 1 IGAF Nc1nccc(Oc2ccc(NC(=O)C3(C(=O)Nc4cccc(F)c4)CC3)cc2F)n1 1772618764 XZNWCTVNDWZASE-UHFFFAOYSA-N 425.395 3.487 0 1 IGAF COc1cccc(N2CCN(Cn3nc(-c4ccc5c(c4)OCCO5)oc3=S)CC2)c1 1772627398 MDGRMJJWOBFYCH-UHFFFAOYSA-N 440.525 3.432 0 1 IGAF COc1cc(-n2c3c(c4nc[nH]c(=N)c42)CCC3)ccc1NC(=O)Cn1ccc(C2CC2)n1 1857594295 VNSGXRYVEFZHDE-UHFFFAOYSA-N 443.511 3.043 0 1 IGAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@H](C)[C@H]2[C@H]1O 2356316691 IEWZIGXVWRHXMJ-ARTZUXCXSA-N 427.589 3.262 0 1 IGAF CC(=O)N1CCC(NC[C@@H]2C[C@H]3CCN2C[C@H]3c2cc(-c3ccccc3)nc(C)n2)CC1 2356809004 AMFUSBGNZHQRIT-YFNKSVMNSA-N 433.600 3.230 0 1 IGAF Cc1ccc(S(=O)(=O)C[C@@H]2OC[C@H](C(C)C)N2S(=O)(=O)c2ccc(C)cc2)cc1 95604113 DHLVMDMWBLSKNZ-RTWAWAEBSA-N 437.583 3.149 0 3 IGAF Cc1cc(N2CCN(c3ncccn3)CC2)nc2ccc(NC(=O)c3ccccn3)cc12 3650064 TUEYXFDCXJZGHU-UHFFFAOYSA-N 425.496 3.307 0 1 IGAF N#Cc1cccc(NC(=O)N2CCC[C@@H](O)[C@H](NC(=O)c3ccc(OCC4CC4)cc3)C2)c1 15672283 RGKZHFYIQZGHPU-DHIUTWEWSA-N 448.523 3.134 0 1 IGAF biogenic Cc1c(C)c2c(c(C)c1OC(=O)[C@@H](N)C(C)C)C[C@H](CCn1ccc(=O)c(O)c1C)O2 26994340 NLIHGRROPOICNL-PXNSSMCTSA-N 428.529 3.070 0 1 IGAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc(S(C)(=O)=O)cc1 27873951 VHLWWNWUKRMLBF-HXUWFJFHSA-N 430.526 3.353 0 1 IGAF O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(c2nc3ccccc3s2)CC1 53224072 VKCFJXPSFRUTDE-UHFFFAOYSA-N 442.585 3.449 0 1 IGAF O=C1CC[C@H](N2Cc3ccccc3C2=O)C(=O)N1CSC(=S)NC1CCCCC1 72175685 POXXVGMGQXWICZ-KRWDZBQOSA-N 431.583 3.058 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N(Cc3ccccc3)C(C)C)c(-c3ccco3)n2)CC1 82143032 GCOGLRVTTOLJOB-UHFFFAOYSA-N 447.539 3.456 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)c2cnccn2)C1 82198912 CWUVTDXSEVYVLA-IFMALSPDSA-N 438.572 3.490 0 1 IGAF O=C(Nc1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1 95894610 PJKYSCCIDOXZLC-GPXNEJASSA-N 446.482 3.171 0 1 IGAF 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CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C4=CC(=O)OC4)CC[C@]32O)C[C@H]1O 2356699261 LSZYEBCGEREENJ-GZZSFOLPSA-N 432.557 3.146 0 1 IGAF O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 61922789 CUTMPUHEHQEQIE-NROSNUSPSA-N 442.556 3.259 0 3 IGAF O=C(NCc1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)c1cccc(Cl)c1 198623206 OLQHSKUZYBZHRA-NHCUHLMSSA-N 439.943 3.252 0 3 IGAF CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]34C=C[C@@]12[C@@H](C(=O)O)[C@@H]4C(=O)O 4416488 NEZTUQCJKXTWFV-MLLVHBNWSA-N 428.525 3.447 0 1 IGAF COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccc(C)cc2)C(C#N)(C#N)[C@H]1c1ccccc1 13396884 MBDXTRFJOWFABZ-WOZUAGRISA-N 430.460 3.057 0 1 IGAF C[C@@H](C(=O)NCc1ccccc1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21 13977423 VRYUYXCAJGNNHF-SBUREZEXSA-N 427.504 3.440 0 1 IGAF O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O 16007510 LNENLABLFGGAFF-FSSWDIPSSA-N 446.503 3.300 0 1 IGAF C=CCN1CC(=O)N2[C@@H](c3ccc(OC)cc3OC)c3[nH]c4ccccc4c3C[C@@H]2C1=O 26771994 DTZIPHXAKGKTSN-YKSBVNFPSA-N 431.492 3.056 0 1 IGAF biogenic NC(=O)N[C@@]1(C(=O)NCC2(c3ccccn3)CCCCC2)CCc2[nH]c3ccccc3c2C1 26825800 IRZSOKYFEOAUAC-SANMLTNESA-N 445.567 3.477 0 1 IGAF CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCN(C(=O)OCc2ccccc2)C3)C(=O)O1 27423047 YHEQSNWXIDTHDR-QFIPXVFZSA-N 437.496 3.233 0 1 IGAF Cc1cc(C)c([S@](=O)O[C@H]2[C@@H]([C@H]3COC(C)(C)O3)O[C@@H]3OC(C)(C)O[C@H]23)c(C)c1 31905674 FIQAIBUCIBDYRD-CVONMXRASA-N 426.531 3.048 0 1 IGAF CN1CCN(Cc2c3c(nc4cc5c(cc24)OCO5)-c2cc4ccccc4c(=O)n2C3)CC1 58541463 IWYIDKBCYGZKPA-UHFFFAOYSA-N 440.503 3.055 0 1 IGAF O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@H]1O2 95900766 IZLHCVQHHLSMHG-NARIEAHCSA-N 442.556 3.259 0 1 IGAF O=C(Nc1cc(Br)cc2c(=O)cc(C(=O)O)oc12)c1ccc2c(c1)OCO2 96271891 FUKFLDCZGWCNGA-UHFFFAOYSA-N 432.182 3.235 0 1 IGAF CC(C)Oc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2N(S(=O)(=O)c2ccccn2)C3)cc1 100093217 UQEUAPWWVLMKMO-DBVUQKKJSA-N 429.542 3.297 0 1 IGAF COc1ccccc1-n1c(SCC(=O)Nc2ccccc2F)nc2nncc-2c1O 101964926 RWVCXNQCJFHELT-UHFFFAOYSA-N 425.445 3.351 0 1 IGAF COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)n2)c1 144234825 SKJFTXLEVLUHSM-UHFFFAOYSA-N 444.495 3.382 0 1 IGAF Cc1nc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)ncc1Cl 207394096 CIKWFXRTJZPTKO-UKRRQHHQSA-N 444.948 3.044 0 1 IGAF Cc1nc2c(o1)CCN(c1cc(-c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)ncn1)C2 225572530 NMPMHTYPODCYOS-UHFFFAOYSA-N 430.447 3.419 0 1 IGAF CCN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1)c1ccccc1 299806609 DAZCIYMYHXRAFE-FMWSTDPOSA-N 441.531 3.411 0 1 IGAF O=S(=O)(CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)c1ccc2c(c1)CCC2 586920768 QVZPUSJCLSXNOU-UHFFFAOYSA-N 430.839 3.482 0 1 IGAF CCCn1cnc2cc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)cc(Br)c21 587005000 IKFYUQIQJTZDPY-UHFFFAOYSA-N 434.319 3.400 0 1 IGAF O=C(O)CN1C(=O)[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587335991 IWMGLJIOJNASOK-ZJSXRUAMSA-N 433.391 3.217 0 1 IGAF CS(=O)(=O)N1CCc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c21 587605330 CESHUBTVOWIHLB-CVDCTZTESA-N 437.473 3.417 0 1 IGAF COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)N[C@H](C)Cc1ccc(F)c(Br)c12 587808706 PDAFGHYOXZWXOC-CZSWHFQBSA-N 428.298 3.080 0 1 IGAF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CO)(c2ccc(C(F)(F)F)cc2)N1 962642058 QWEVHTJUMQEABK-RDJZCZTQSA-N 435.320 3.439 0 1 IGAF CCOC(=O)[C@@H](C)Oc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1OCC 963522110 DZFKRUDEJPYIGV-GHNFSYLKSA-N 443.496 3.118 0 1 IGAF CN(CCc1nc2ccccc2[nH]1)CCc1nc(C(=O)NCc2ncccc2F)cs1 1857619975 QRASDTKEMLQUAC-UHFFFAOYSA-N 438.532 3.201 0 1 IGAF O=C(Nc1ncccc1O)[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 1857752095 PYUIONJYLQRJKJ-QFIPXVFZSA-N 427.464 3.379 0 1 IGAF CC[C@H](O)[C@H](O)CC=CC=CC=CC[C@H](O)C(C)=C[C@@H](C)[C@@H](C)OC(=O)CCC(=O)O 2356323443 KZEPXPAHJZNSAB-MBMVPVEPSA-N 438.561 3.307 0 1 IGAF NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(/C=C/c3ccco3)=NO2)cc1 12355145 IHQRVQUVWKEKQN-YVNCXZRQSA-N 437.477 3.391 0 1 IGAF C[C@H]1N[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 12466104 ZKLSTLYBTHUDFT-ONGGPIFUSA-N 437.499 3.226 0 1 IGAF O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccc(F)cc3)C2)cc1)C1CC1 13859885 NMOWFTXQHLZDDV-FQEVSTJZSA-N 446.544 3.240 0 1 IGAF O=C(c1ccc(N2CCC(NCCn3ccc4ccccc43)CC2)cc1)N1CCOCC1 14997742 QRBBCDALUXIQQP-UHFFFAOYSA-N 432.568 3.372 0 1 IGAF CS(=O)(=O)c1ccc(CCNCCCCCCN[C@H]2CCc3ncccc3C2)cc1 27634370 INPJGOTZEGMEJL-QFIPXVFZSA-N 429.630 3.325 0 1 IGAF COc1ccc([C@]2(O)CCCC[C@H]2N2CCC3(CC2)C(=O)NCN3c2ccccc2)cc1 28563773 WUDAAQNUDBBHTO-ZEQKJWHPSA-N 435.568 3.254 0 1 IGAF CCOC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1cn(CCCCCCCO)nn1 29044340 XXGIJNUEEZIWNY-FPOVZHCZSA-N 446.573 3.040 0 1 IGAF Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(CCO)CC2 64559242 YBAXZCUPOJJSKS-UHFFFAOYSA-N 429.520 3.259 0 1 IGAF O=C(NCc1ccc(C(=O)N2CCNCC2)cc1)c1csc(-c2ccc(Cl)cc2)n1 82081805 IQIWUJPCDGHJFF-UHFFFAOYSA-N 440.956 3.439 0 1 IGAF C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccccc3)c2O[C@H]1CN(C)C 95755118 SSJJWSMGDNAKCS-FVJLSDCUSA-N 440.544 3.112 0 1 IGAF O=C(C[C@H]1CC[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 95869507 BUXNMIFPDSBWFP-SGNDLWITSA-N 445.519 3.416 0 1 IGAF Cc1cc(C2CCN(C(=O)Nc3ccccc3)CC2)n(-c2ccc(S(N)(=O)=O)cc2)n1 96283718 IAECVDWWFPRDKE-UHFFFAOYSA-N 439.541 3.240 0 1 IGAF Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)c(F)c1 144389970 PDNOJYMMZNQRJD-KDOFPFPSSA-N 449.483 3.394 0 1 IGAF COc1cc(Nc2cc(F)c(S(=O)(=O)NC[C@H]3CCCO3)cc2F)cc(OC)c1 145132888 PFWAVSAKXJNAAS-CYBMUJFWSA-N 428.457 3.183 0 1 IGAF CS(=O)(=O)N(C[C@@H](O)Cn1c2ccccc2c2ccccc21)c1ccc2cn[nH]c2c1 148494575 PZQXCCKILIFECG-SFHVURJKSA-N 434.521 3.498 0 1 IGAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2nc(Cl)c[nH]c-2n1 586937500 RAICKFLYGBKVRI-GFCCVEGCSA-N 425.967 3.347 0 1 IGAF COc1cc2c3c(c1)O[C@](C)(Cc1nc(=NC(=O)c4ccc(F)cc4)s[nH]1)[C@@H](C2)C3=O 587428830 QOFIJDOTAOOCGL-OYHNWAKOSA-N 439.468 3.109 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587794193 GBUCUBJWIWGUSG-WYRIXSBYSA-N 430.314 3.470 0 1 IGAF O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(C(=O)NCc3cccnc3)c1)C2=O 653806393 ZTWBDFRGPCTUPF-UHFFFAOYSA-N 435.823 3.164 0 1 IGAF NS(=O)(=O)c1ccc(-n2cc(CCCNc3ccnc4cc(Cl)ccc34)nn2)cc1 1857563689 YPXGNMVLWDIRBK-UHFFFAOYSA-N 442.932 3.161 0 1 IGAF CN1CCC[C@@H]1CC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1ccc2c(ccn2C)c1 1857749125 OSIIUGZHTBWPNO-KJWPAHLWSA-N 430.552 3.175 0 1 IGAF COC[C@@H]1CCCN1C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1 2356876001 ZGWMAPXILYHOOJ-IZZBFERCSA-N 432.634 3.351 0 1 IGAF COc1cccc(C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)NC2CCCC2)c2ccccc2)c1 198920202 GOBFIUWHZHXQGH-GOTSBHOMSA-N 449.551 3.216 0 3 IGAF Cc1ccc(C[C@@]2(CCC(=O)N3CCC[C@H](C(=O)c4cccnc4)C3)CCC(=O)N2)cc1 12217256 VBQKGLSALBODJZ-NVQXNPDNSA-N 433.552 3.483 0 1 IGAF CN(C)CCCc1c(/C=C2\C(=O)Nc3ccc(S(C)(=O)=O)cc32)[nH]c2c1CCCC2 13588466 JOOIDGJYVPQQHV-RGEXLXHISA-N 427.570 3.284 0 1 IGAF Nc1nc(NC[C@H]2CCCN2Cc2cc3ccccc3o2)nc2nc(-c3ccco3)nn12 13612549 GAHDLXXONREDFH-OAHLLOKOSA-N 430.472 3.184 0 1 IGAF CN1[C@@H](C(=O)NCc2cccc(Br)c2)C[C@@H]2Cn3c(nc4ccccc43)[C@@H]21 13660581 UMLIEVFDAPIGBA-NIKGAXFTSA-N 425.330 3.490 0 1 IGAF Cc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](CSCc3ccccc3)C(=O)O)ccc12 15956537 BYGSUJKTNCXVKN-GOSISDBHSA-N 441.505 3.291 0 1 IGAF biogenic Cc1cc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)no1 20995103 ARDFQGGIRARAHA-GOSISDBHSA-N 436.493 3.060 0 1 IGAF COc1ccc2c(c1)CCN(CCCN(C)CCc1ccc(OC)c(OC)c1)C(=O)C2 29316032 XIDPECXZFSVHDH-UHFFFAOYSA-N 426.557 3.204 0 1 IGAF CCNC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@H]1CO[C@H](c3ccoc3)C[C@]21C 40763173 OAHYMFUZPDTHKL-IEKGVNQYSA-N 431.529 3.089 0 1 IGAF CCCCO[C@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2ccco2)C1 82199397 GNCMIMKLNOQTKM-OALUTQOASA-N 430.501 3.013 0 1 IGAF Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2C)n(C)n1 95605879 CKFGBDPRYSAZQN-UHFFFAOYSA-N 445.483 3.473 0 1 IGAF 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O=c1c2[nH]c(-c3ccco3)cc2nc(O)n1CCN1CCN(c2ccccc2Cl)CC1 72112003 PMHFWJIDPYJKAF-UHFFFAOYSA-N 439.903 3.166 0 1 IGAF COc1cc(-c2cn([C@H]3C[C@H](C(F)(F)F)CCNC3=O)nn2)ccc1-n1cnc(C)c1 84634860 NCGLVPCGSZDWHT-PBHICJAKSA-N 434.422 3.077 0 1 IGAF O=C(NCCc1ccccc1)[C@@H]1c2ccccc2CCN1C(=O)[C@@H]1CCCC[C@H]1C(=O)O 95872283 DXBXAKFDMQPVBU-ZLNRFVROSA-N 434.536 3.362 0 1 IGAF CN1CCN2c3c(cccc31)[C@@H]1CN(CCCCN3C(=O)[C@H]4CCCC[C@H]4C3=O)CC[C@@H]12 169309786 SAVMLHSMVPTFGK-LRSLUSHPSA-N 436.600 3.070 0 1 IGAF Cc1cc(C[C@@H](N)C(=O)O)cc(C)c1Oc1ccc(O)c(I)c1 169342207 FEDBOASHFLBNPZ-CQSZACIVSA-N 427.238 3.360 0 1 IGAF COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3ccc(Cl)c(C)n3)c(=O)n(C)n2)nc1 218353555 SVINDUQIZLAHAC-PBHICJAKSA-N 441.919 3.335 0 1 IGAF N#Cc1cc(-c2ccnc(Nc3ccc(NC(=O)C4CC4)nc3)n2)cnc1N1CC[C@H](F)C1 221323590 IUHOLYWUUONWNL-KRWDZBQOSA-N 444.474 3.446 0 1 IGAF CCCC[C@H](CN(O)C=O)C(=O)N1[C@H](C(=O)Nc2ccc(C)cn2)C[C@H]2CCCC[C@@H]21 299823226 DHFUEFQEDLZART-ZRNYENFQSA-N 430.549 3.142 0 1 IGAF COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nccc(-c2c[nH]c3cnccc23)n1 299861181 KSIRCFGDZWDBAM-UHFFFAOYSA-N 443.511 3.441 0 1 IGAF CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587440373 YWLHHGZXHOMKFU-OBWXTZQISA-N 445.512 3.392 0 1 IGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(=O)N(c2ccc(F)cc2)N=C1C(=O)O 587473161 XUUBNLWFTRPQNQ-QFIPXVFZSA-N 426.400 3.065 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C(=O)OC)CN(C(=O)OC(C)(C)C)C1 587473956 AVBPCPYDZMEDPO-PSLXWICFSA-N 433.501 3.479 0 1 IGAF O=C(O)CCNC(=O)C1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 587511673 MWSFPMHEBHCIFU-VWLOTQADSA-N 433.460 3.293 0 1 IGAF CCOC(=O)[C@@]1(c2cc(OC)ccc2OC)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962618859 CKVUXGHKDNENLO-OYLFLEFRSA-N 429.513 3.404 0 1 IGAF Cc1c(O)ccc2c1[C@](Cc1ccc(OCc3ccccc3)cc1)(C(=O)O)N[C@H](C(=O)O)C2 963511057 SKFLNHWNSBAFIL-HFZDXXHNSA-N 447.487 3.401 0 1 IGAF CN1C[C@H](N=c2[nH]c3cc[nH]c3c(=O)n2C)C[C@H](c2ccc(OCc3ccccc3)cc2)C1 1857550460 GUFVCUSKHSXTFY-LEWJYISDSA-N 443.551 3.162 0 1 IGAF C[C@@H](NCc1ccc(OCc2ccc(OCCCN3CCCCC3)cc2)cc1)C(N)=O 1857751660 RLRWESOKAYEDTM-HXUWFJFHSA-N 425.573 3.484 0 1 IGAF CCCC(=O)O[C@@H]1C=C2CCN3Cc4cc5c(cc4[C@@H]([C@@H]23)[C@H]1OC(=O)CCC)OCO5 2356333898 XFPKJBMPXIIKGU-GOUWZUTHSA-N 427.497 3.451 0 1 IGAF C1=CC(c2noc([C@@H]3CCCN3Cc3cnc4ccccc4c3)n2)=CN[C]1N1CCOCC1 2356856455 OTTVVSSCPQWIDX-QFIPXVFZSA-N 443.531 3.277 0 1 IGAF CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3cc(F)c(F)cc3NC(=O)[C@@]12C 36387210 JWXASWLWWMDCBZ-CMMZHZMSSA-N 442.418 3.061 0 3 IGAF COCC(=O)N[C@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2)cc1 95797721 QUBXIHMWQRPUCU-GIDFYXQGSA-N 439.552 3.115 0 3 IGAF O=C(N[C@@H](Cc1ccccc1F)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1 840527 QMJHLMFORFSFQM-NRFANRHFSA-N 443.906 3.285 0 1 IGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2=O)c1 4050535 MIQRXNWKBJVGNS-UPVQGACJSA-N 435.524 3.306 0 1 IGAF N=C(N)c1ccc(F)c(/C=C\C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 13442337 FSCRHLJSUDUJRK-WQLSENKSSA-N 438.484 3.076 0 1 IGAF COc1ccc(-c2cc(=O)c3c(OC(C)=O)cc(OC)c(OC)c3o2)c(OC)c1OC 14436527 ZTVCQCQMIBOVMU-UHFFFAOYSA-N 430.409 3.428 0 1 IGAF biogenic COc1ccc(OC)c([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CC4)CC(=O)N23)c1 26771609 OJSCJLOPQMJADX-YKSBVNFPSA-N 431.492 3.032 0 1 IGAF biogenic C[C@@H](C[S@@](=O)C(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O 33975045 HCPQVVBXSZHBSL-WDDPFCIKSA-N 445.562 3.058 0 1 IGAF in-vivo O=C(NCCCN1CCCC1)[C@H]1CCCN(C(=O)c2csc(Nc3ccccc3)n2)C1 82081472 SKMMYGKKFOCYAK-SFHVURJKSA-N 441.601 3.341 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)NC[C@@H]1C 95668639 XIVHHYMBMNMMDK-WJONJSRFSA-N 443.519 3.172 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccc(F)cc2)C1 95867729 MXMKKVOZZZVICE-JOCHJYFZSA-N 449.526 3.468 0 1 IGAF Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc3c(c2)CC[C@H]3CC(=O)C2(N)CC2)n1 96178108 XDPCFEIRAYNZCW-LBPRGKRZSA-N 426.883 3.212 0 1 IGAF COc1ccccc1NC(=O)[C@H]1CC[C@@H](NC(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 103252752 VMBUCXFIOKWUID-QAQDUYKDSA-N 448.523 3.178 0 1 IGAF COc1cc(Nc2nccc(-c3ccccn3)n2)cc2cc(C(=O)N3CCN(C)CC3)[nH]c12 145265855 VFLPICGPGTVACT-UHFFFAOYSA-N 443.511 3.160 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N4CC[C@H](C)C4)c3F)C2)cc1 261107379 HPNJVVFDQATTNT-TWOQFEAHSA-N 427.524 3.317 0 1 IGAF Cc1nn(C2CNC2)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O 261188706 YHZBCBREIIKZHU-FQEVSTJZSA-N 447.930 3.399 0 1 IGAF COc1cc2nc(N3CC(F)(F)C3)[nH]c(=NCCCCCN3CCCC3)c2cc1OC 473115917 VRWHKKJVCPPFNN-UHFFFAOYSA-N 435.519 3.202 0 1 IGAF COC(=O)c1cc2[nH]c([C@@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2cc1OC 587037428 ISMMRBQDMZUMTR-SNVBAGLBSA-N 427.486 3.106 0 1 IGAF O=C1c2ccc(O)cc2OC2(CCN(CCN3CCOCC3)CC2)[C@H]1c1ccc(F)cc1 587347851 VFOXNHQZPDZLNQ-QHCPKHFHSA-N 440.515 3.057 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ncnc2N2CCOCC2)N1 587706681 RTCYRCLRAYZKQE-MGPLVRAMSA-N 441.732 3.492 0 1 IGAF CCOC(=O)CN(C)c1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cn1 587739192 GJMNBUDXPFJPTK-VOJFVSQTSA-N 437.313 3.001 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(NS(C)(=O)=O)c2)N1 587841136 PXONZEFNNGCVQN-MGNBDDOMSA-N 443.338 3.463 0 1 IGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]12CCN(c1ccccc1)C(=O)C2 963146941 ORYJAXHEEQLEER-KSFYIVLOSA-N 443.525 3.412 0 1 IGAF COc1cc(OCCCC(=O)O)ccc1[C@@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230975 RGUDXPTWJBACKB-REWPJTCUSA-N 436.464 3.175 0 1 IGAF CN1C[C@H](NC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)nc4)ccc3n2)CC1=O 1772584065 ITXKZQJZERYMMH-CYBMUJFWSA-N 430.386 3.401 0 1 IGAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(C(F)(F)F)cc2)n1 2356288437 DJSDTXDDIHJYDT-MTQWCTHYSA-N 437.506 3.483 0 1 IGAF CC1(C)C=Cc2c(ccc3c2N=C2C(C)(C)C=CN4C(=O)C5=CCCN5C(=O)[C@H]4C[C@@]23O)O1 2356650570 KBFQQKDBYAQJJS-DWXRJYCRSA-N 445.519 3.415 0 1 IGAF CNC[C@@H]1CC[C@@H]2C[C@]34[C@H](O)[C@@H]5C=C[C@H]6C[C@@]5(C)C[C@@](O)(C6)[C@@H]3C[C@@]43CCC[C@H]3[C@@H]2N1 2356686234 XUSOODGIZUATTI-QZQHXRSISA-N 426.645 3.237 0 1 IGAF COc1ccc(C[S@](=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1OC 13605310 IJIYFBOLAUNRBX-SSEXGKCCSA-N 427.482 3.063 0 1 IGAF O=C(CC1CCNCC1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 27992994 DTCKFVVHXZOMKV-VWLOTQADSA-N 439.003 3.457 0 1 IGAF COc1ccc(COC[C@H](Cn2ccnc2)OCc2ccc(S(C)(=O)=O)cc2)cc1 29343063 ZQZRGZFOACUHDJ-NRFANRHFSA-N 430.526 3.097 0 1 IGAF O=C(COc1ccc(F)cc1)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21 34805691 RUKONYYKYUXWLZ-UHFFFAOYSA-N 433.486 3.051 0 1 IGAF Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CSC(=S)N1CCC(Cc2ccccc2)CC1 39144551 XDRBFNWHPBIJRP-GOSISDBHSA-N 434.587 3.433 0 1 IGAF Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(=O)COc1ccc(Cl)cc1)CC3 82196130 XERJCRFPIISCRQ-UHFFFAOYSA-N 438.871 3.139 0 1 IGAF O=C(NC1CCCC1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO 95874322 DFXDBLKOJGNHJX-TZRRMPRUSA-N 435.572 3.020 0 1 IGAF CCN1CC[C@H](C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)C1 114345131 SQGDXPPAXDZIBA-WBVHZDCISA-N 432.528 3.182 0 1 IGAF CCNc1nc(Nc2cnn(C(C)(C)c3nncn3C)c2Cl)ncc1C(F)(F)F 205708220 XYDOIRBSKNHNBG-UHFFFAOYSA-N 429.838 3.433 0 1 IGAF CN1CCC[C@@H](C(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 253637888 MPOASGQWTHRDQW-YKSBVNFPSA-N 439.003 3.409 0 1 IGAF Cc1nn(C2CCOCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4CCC(O)CC4)CC3)cc12 261143410 NLOVQPSKQWMMJU-QAQDUYKDSA-N 446.617 3.255 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3C[C@H](Oc4ncccc4C(F)(F)F)[C@H]2C3)n1 261190755 ZAUBOSKPBRXIFA-XYPHTWIQSA-N 444.417 3.067 0 1 IGAF COc1cccc([C@H]2[C@@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)c1 587213035 SPWHDHKNNWUOOG-PKTZIBPZSA-N 430.460 3.053 0 1 IGAF O=C(c1ccc(N2CCOCC2)nc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587659193 YYUDGUHYRFFRFP-UHFFFAOYSA-N 448.429 3.262 0 1 IGAF COc1cccc(OC)c1-c1cc(C(=O)N2CC[C@H](C(=O)O)C2)nn1-c1ccc(F)cc1 653899220 LVJNEAKPHQCMLK-AWEZNQCLSA-N 439.443 3.242 0 1 IGAF COC(=O)c1ccc2c(c1)[C@]1(CCO2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962693574 APDYGLRLNDGYSH-OXJNMPFZSA-N 439.361 3.256 0 1 IGAF CCOC(=O)C1=C[C@@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c2ccc(O)cc2O1 962762354 ITMLTGPSSNOYJS-KKSFZXQISA-N 433.382 3.121 0 1 IGAF COc1ncc(NC(=O)Cc2ccc(-n3c4c(c5nc[nH]c(=N)c53)CCC4)cc2)cc1F 1857543080 BBGCENTWJMAPEA-UHFFFAOYSA-N 432.459 3.046 0 1 IGAF COCCn1cc(N=c2[nH]c(=Nc3ccccc3P(C)(C)=O)c3sccc3[nH]2)cn1 1857554237 ALDRWCDJPBGKHM-UHFFFAOYSA-N 442.485 3.113 0 1 IGAF O=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCC[C@H](Cc2ccccc2)C1 1857562273 JEPQPWSPGBVSOE-JOCHJYFZSA-N 449.599 3.011 0 1 IGAF CC(=O)O[C@@H]1C[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1C1=CC(=O)OC1 2356384019 IWCNCUVTGOMGKG-QKLWYIRSSA-N 432.557 3.146 0 1 IGAF CC(=O)[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)C(=O)c1cccs1 205859954 KVQBMKOBIMTGEN-FQEVSTJZSA-N 426.538 3.019 0 3 IGAF Nc1ccccc1CNC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 4201922 KZQKVKVLNYELDK-GMAHTHKFSA-N 447.535 3.411 0 1 IGAF CC[C@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC 4295874 SAUAEKCMUGQNDC-HYUFRBFKSA-N 426.513 3.319 0 1 IGAF O=C(N[C@H]1CCCc2ccccc21)c1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 9860349 KSLPEULWFOYSJK-UFYCRDLUSA-N 441.578 3.174 0 1 IGAF CC1(C)C[C@H](NC(=O)C2CC2)[C@@]2(CCC(=O)NCc3cccnc3)CC[C@](C)(O)C[C@@H]12 12490977 HDRKJVRDJITYCM-WNLYKICVSA-N 427.589 3.340 0 1 IGAF biogenic CCOC(=O)N1CCN(CCCOc2ccc(C(=O)c3ccc(OC)cc3)cc2)CC1 13444714 NQLCAHXYVYXKBG-UHFFFAOYSA-N 426.513 3.469 0 1 IGAF O=C(CC[C@H]1CCc2cc3c(nc2C1)NCCC3)NC[C@H](C(=O)O)c1ccc2c(c1)OCC2 13860642 ZIYZOTDZIZBOGY-IERDGZPVSA-N 449.551 3.244 0 1 IGAF O=C(OC[C@@H]1[C@H](Cc2ccccc2)C(=O)N1S(=O)(=O)c1ccccc1)c1ccccc1 13862667 RHCHOQUYGIEZEW-FCHUYYIVSA-N 435.501 3.302 0 1 IGAF O=C(Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)n[nH]c2c1)C1CCNCC1 35285428 NICGGCUDNLVQSM-UHFFFAOYSA-N 434.521 3.487 0 1 IGAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2ccn[nH]2)cc1Cl 43120153 DWXVVVSDZGJDAL-OAHLLOKOSA-N 436.899 3.286 0 1 IGAF Cc1nc2nc(C(=O)NCc3ncco3)cn2c(-c2ccc(Cl)cc2Cl)c1CN 58582364 HGJBPTYSVMUIKF-UHFFFAOYSA-N 431.283 3.388 0 1 IGAF CCCCOCCCNC(=O)[C@@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82082953 XPCSTQNIALUKHG-OAHLLOKOSA-N 449.573 3.269 0 1 IGAF Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(=O)[nH]ccc2n1CC(=O)O 205439654 YVPUXDJWGLUKKO-UHFFFAOYSA-N 436.489 3.146 0 1 IGAF Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nn(C)c2=O)s1 211366694 ZSJJECXJGALHSY-CVEARBPZSA-N 434.525 3.283 0 1 IGAF O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 299875644 DFWPLFRCNNLWHX-XKGZKEIXSA-N 429.879 3.356 0 1 IGAF COc1ccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)cc1 473119249 ADXDKPAOGDHPTK-UHFFFAOYSA-N 442.519 3.483 0 1 IGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(Br)cnc(Br)c2[nH]1 586961028 DZYLUZNZWYZDME-SCSAIBSYSA-N 446.128 3.414 0 1 IGAF CCOC(=O)[C@]1(c2csc(N)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370783 BEZYLTYUGFPBPK-LAUBAEHRSA-N 428.441 3.388 0 1 IGAF COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cc(Cl)cc(Br)c2)c1OC 587940017 IKOBWUMZMMEPHP-LBPRGKRZSA-N 432.654 3.339 0 1 IGAF Nc1cc(Br)ncc1[C@@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962696649 AJACMTYLBRABDC-GXTWGEPZSA-N 434.187 3.273 0 1 IGAF CCOC(=O)C[C@]1(c2cc[nH]c2)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962927672 XCYFBRTTWNPTGG-XUZZJYLKSA-N 436.464 3.308 0 1 IGAF CN1C(=O)NC(=O)[C@]2(CC3=Cc4ccccc4N[C]3N3[C@H]4CC(C)(C)C[C@@](C)(C4)[C@H]32)C1=O 2356827545 CUURQFAJTHLSTQ-BDBYQYBLSA-N 433.532 3.352 0 1 IGAF O=C(N[C@@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ncc2ccccc2n1 13601773 SCTXRBJBGWMYOT-QFIPXVFZSA-N 425.423 3.315 0 1 IGAF CC1CCN(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)NCc2ccccc2)CC1 26175348 MYTYZMBNMDOGRW-DEOSSOPVSA-N 447.583 3.384 0 1 IGAF CC(C)[C@H](OC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(=O)O)C(=O)CF 28135868 PSGIDBYTPHXZKT-WFASDCNBSA-N 437.251 3.065 0 1 IGAF CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO 82061096 HOSHFDJWOFKCJT-VXKWHMMOSA-N 440.540 3.151 0 1 IGAF CN(C(=O)c1ccccc1F)c1nnc(-c2ccc(CN3CC(C(=O)O)C3)cc2)s1 95563374 SXZWLQJVHZTMHK-UHFFFAOYSA-N 426.473 3.137 0 1 IGAF CCc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1NC(=O)[C@](C)(CC)NC2=O 103298334 GIFNOAPHZQDFKC-FQEVSTJZSA-N 437.468 3.179 0 1 IGAF Cc1ccc(-n2nc(-c3ccc(CO)nc3)cc2NC(=O)c2cnn3cccnc23)cc1 142370010 ONWFLAQOPHNKNE-UHFFFAOYSA-N 425.452 3.030 0 1 IGAF O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(-c2ccncc2)cs1 145413694 XLMFBNMLEHYJGT-UHFFFAOYSA-N 437.569 3.060 0 1 IGAF O=C(CCc1nc2cncc(Br)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587023792 IZZQRCUARNDOSQ-UHFFFAOYSA-N 430.291 3.205 0 1 IGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccc(S(N)(=O)=O)cc3[nH]1)N2 587031450 NSSZZQUPORKUIE-QOUOVQQFSA-N 449.583 3.337 0 1 IGAF O=c1cccc(-c2nc3c(S)nc(S)nc3[nH]2)n1CCOc1ccccc1Cl 587064029 JMXKPYWKRWBLGL-UHFFFAOYSA-N 431.930 3.491 0 1 IGAF O=C1C[C@H](c2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 587533308 RZNXCBBXSKYJJP-JOCHJYFZSA-N 427.522 3.293 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(CS(N)(=O)=O)C3(C)C)N1 587838308 BLLJSRYAEPWDCZ-DZUZHBOMSA-N 445.398 3.433 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1SCC2(CO)CO 587853537 AEQUGHKEZNPTPO-MPBGBICISA-N 438.362 3.443 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@H]([C@@H](c3ccccc3)c3ccc(F)cc3)N2C(=O)[C@@H]2CCCN12 963214147 KCEJYTUBMJCYFN-FKEBYFGASA-N 430.483 3.180 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@@](c3ccc(Cl)cc3)(c3cccs3)N2C(=O)[C@@H]2CCCN12 963221509 OJBDUTHZQYBQNX-PNLZDCPESA-N 438.940 3.174 0 1 IGAF O=C1CN(c2ccccc2)C(=O)[C@H](Cc2c([C@@H](O)c3ccccc3)[nH]c3ccccc23)N1 1857540758 IATIFMFDFGBFBA-DHLKQENFSA-N 425.488 3.324 0 1 IGAF CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@H]2CN(C(=O)Cc3ccccc3)CCN21 2356303553 XVYPREGDAQPAJF-OAQYLSRUSA-N 425.960 3.330 0 1 IGAF CC1=CC[C@@H]2[C@H](C=C(C)[C@@H]3[C@]4(C)OCC[C@H](C)[C@@H]4O[C@H](C=CC=CC(=O)O)[C@@H](O)[C@@]32O)C1 2356418661 ROAXMKARTPGXAB-NGUUEEQRSA-N 444.568 3.407 0 1 IGAF O=C(NC[C@H]1CCCO1)[C@@H]1CCCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)C1 12469691 LOROWHOBQMIPAH-NFBKMPQASA-N 433.556 3.170 0 3 IGAF COc1cc2c(cc1OC)[C@@H](C(=O)NCc1cccnc1)[C@@H](c1ccccc1F)N(C)C2=O 4760702 YMAAOCIURRTYBQ-DHIUTWEWSA-N 449.482 3.465 0 1 IGAF COc1ccc2nccc(N3CCC(CCNCc4ccc5c(n4)NC(=O)CO5)CC3)c2c1 6716189 DWWDQFMFFCHXAK-UHFFFAOYSA-N 447.539 3.366 0 1 IGAF Cc1nn([C@@H](C)C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(=O)c2cc3occc3n12 8611163 JCRNRWQQVWLBAP-AWEZNQCLSA-N 439.903 3.114 0 1 IGAF C[C@H](C(=O)NCCc1ccc(F)cc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 15954262 YNRUNZYNJNHUAC-SGANQWHYSA-N 448.498 3.090 0 1 IGAF biogenic Cc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)NC[C@@H]2CCCO2)cc1 20069180 BWRUXSNWOZBRPG-XUVXKRRUSA-N 435.553 3.308 0 1 IGAF O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)[C@@H]1Sc1ccccc1)c1cccnc1 26153208 GMYBUCVGSASGRX-OFVILXPXSA-N 445.544 3.343 0 1 IGAF O=C(O)c1ccc(OCCn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)cc1 36310650 OQUWHKWPOLZCSG-UHFFFAOYSA-N 446.459 3.212 0 1 IGAF O=C1N[C@H](c2ccccc2)C2(CCN(C[C@@H](O)COc3cccc4ncccc34)CC2)O1 45193730 LHRKAYAQNMWYGP-AUSIDOKSSA-N 433.508 3.290 0 1 IGAF O=C(NC[C@@H]1CCCN1)c1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1 58590702 YYQOJLBYBFIUTF-NRFANRHFSA-N 426.524 3.490 0 1 IGAF Cc1nc2ncc(Oc3ccc4c(c3)OCO4)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1 73310696 QQXDOYMGTGEQQQ-INIZCTEOSA-N 437.500 3.136 0 1 IGAF CN1CCC[C@@H]1CCNC(=O)CCCCc1nnc(NC(=O)Cc2ccccc2)s1 95573381 TVNOCBBPVJZFOJ-GOSISDBHSA-N 429.590 3.033 0 1 IGAF Cc1ccc2c(c1)[C@]1(C)CCC(=O)[C@H](NC(=O)CCN3CCN(c4ccccc4)CC3)[C@@H]1O2 169316344 IFYNAYGDYJTEBF-QKDODKLFSA-N 447.579 3.074 0 1 IGAF COCCOc1ncccc1[C@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169696354 VVUKDICEGXZZHS-OALUTQOASA-N 442.537 3.327 0 1 IGAF CCOc1ccc([C@H]2c3[nH]c4ccccc4c3Cc3c(O)n(CCN(C)C)c(=O)n32)cc1 169728875 JHDUGVBTLZNJMI-QHCPKHFHSA-N 432.524 3.339 0 1 IGAF COCCN(C)c1ncc(-c2n[nH]c3cc(NC(=O)N[C@H](C)c4ccccc4)ncc23)cn1 219757371 RNVBDCFVECUZBU-OAHLLOKOSA-N 446.515 3.380 0 1 IGAF CC[C@H](CO)N1C(=O)N[C@@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 254110944 ADMQPLKCCKQMAJ-HHJKRLRDSA-N 431.492 3.363 0 1 IGAF Cc1ccc(S(N)(=O)=O)cc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587843407 ZKRYJJPMWAFRCW-BBATYDOGSA-N 427.339 3.342 0 1 IGAF Cc1cccc(C)c1[C@]1(c2ccc(C3OCCO3)cc2)N[C@@H](C(=O)O)Cc2c1nn(C)c2C 962704953 DYXOQSHJDFNQPM-RLWLMLJZSA-N 447.535 3.282 0 1 IGAF Nc1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4cccc(F)c4)CC3)cc2F)ncn1 1772606596 SBKPQOZMPZEHTO-UHFFFAOYSA-N 425.395 3.487 0 1 IGAF CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@H]1c1ccc(Cl)cc1Cl 1857554676 GBOWJFBQELFKKW-KRWDZBQOSA-N 428.297 3.273 0 1 IGAF CC(=O)N1CCC(NC[C@@H]2C[C@H]3CCN2C[C@@H]3c2cc(-c3ccccc3)nc(C)n2)CC1 2356809003 AMFUSBGNZHQRIT-NHTMILBNSA-N 433.600 3.230 0 1 IGAF CC(C)(C)OC(=O)N1CCN(C(=O)c2[nH]cnc2C(=O)Nc2cccc(Cl)c2)CC1 36387771 DWOOHUXHUBAMHZ-UHFFFAOYSA-N 433.896 3.008 0 3 IGAF OC[C@@H]1CC=C[C@@H]1n1cnc2c(NCc3ccccc3I)ncnc21 29132056 HNEJDCMBAFNXAC-ZFWWWQNUSA-N 447.280 3.153 0 1 IGAF Cc1ccc(-c2nnn(CC(=O)N(C3CCCCC3)[C@@H](C)C(=O)NC3CCCC3)n2)cc1 33636538 OYZHEVBWHINBJA-SFHVURJKSA-N 438.576 3.257 0 1 IGAF O=C(O)c1cccc(OCCn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)c1 40763435 DUOKNJQUBFCDBN-UHFFFAOYSA-N 446.459 3.212 0 1 IGAF CCONc1ncc(C)c(-c2cc(C(=O)N[C@H](CO)c3cccc(Cl)c3)n(C)c2)n1 87613056 QGSXQXAZQWSNFP-QGZVFWFLSA-N 429.908 3.271 0 1 IGAF CCCC(=O)N1CC2(CN(Cc3cccnc3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO 95868810 GZTKNAZTZFKUNR-NRFANRHFSA-N 434.540 3.001 0 1 IGAF Cc1cc(Nc2nccc(-c3ccccn3)n2)cc2cc(C(=O)N3CCN(C)CC3)[nH]c12 144253584 YMFWUJCCMUMIGE-UHFFFAOYSA-N 427.512 3.460 0 1 IGAF COC1CN(c2ncnc3c2c(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)nn3C)C1 169706112 ZBKNACVTEISUDM-UHFFFAOYSA-N 443.433 3.285 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N4CCC5(CC5)C4)c3F)C2)cc1 261081904 BVWQHSUFFREQGU-OXJNMPFZSA-N 439.535 3.461 0 1 IGAF CNS(=O)(=O)c1cc(-c2nc3cc(Oc4ccc(C(=O)OC)cc4)ccc3[nH]2)n(C)c1 586947534 QYDZCGKVPFFMJC-UHFFFAOYSA-N 440.481 3.055 0 1 IGAF COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCN1CCN(C)CC1 653849297 NTGOHUNWBPPUHN-UHFFFAOYSA-N 441.507 3.161 0 1 IGAF COc1ccc([C@]2(C[C@H](C)CC(=O)O)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1OC 962925655 WTVXOXNIKVQLMT-ZZKQDXLVSA-N 431.460 3.186 0 1 IGAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](c2nc[nH]n2)(c2cccs2)N1 963180225 GIQDAOSYLRPURE-LRDDRELGSA-N 428.823 3.429 0 1 IGAF Cc1noc(C)c1-c1nn(Cc2ccc(C(=O)N3CCOCC3)cc2)c(=O)c2ccccc12 1857642838 KZLPBODVFJHYBS-UHFFFAOYSA-N 444.491 3.189 0 1 IGAF COc1ccc(CNC(=O)[C@@H]2CCC[C@H](NCc3ccc(F)cc3)CN(C)C(=O)C2)cc1 2356300112 UHOZCPJQORIQDG-IRLDBZIGSA-N 441.547 3.258 0 1 IGAF COCCC[C@@H]1Oc2ccc(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2ccc(OC)cc2[C@@H]1O 2356440499 DMYFUDDBZJBVLC-FBHBTBFLSA-N 430.497 3.283 0 1 IGAF O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 9211051 HLGUSANISRNTAH-AWEZNQCLSA-N 425.924 3.456 0 3 IGAF CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3cc(C)ccc3NC(=O)[C@@]12C 61959410 LFXHGLMKJJRCJC-CCIIEHSASA-N 434.492 3.399 0 3 IGAF COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)c(OC)c1 4296604 DOLNNEWACGBJEV-TZIWHRDSSA-N 430.888 3.308 0 1 IGAF COc1ccc(C(=O)N[C@H]2CCCN(CCCOc3ccc4c(c3)OCO4)C2)cc1OC 13558917 ZHSUNHFEAUHWFP-SFHVURJKSA-N 442.512 3.096 0 1 IGAF COc1cc2cc(CO)c(CO)c(-c3cc(NC(C)=O)c(OC)c(OC)c3)c2cc1OC 13756807 QMORCHDFEGGWJD-UHFFFAOYSA-N 441.480 3.484 0 1 IGAF CC(=O)O[C@H]1C[C@@H](CN(C)C)[C@]2(C)CC(=O)[C@@H]3CO[C@H](c4ccoc4)C[C@@]3(C)[C@H]2C1=O 40762558 RUUVSDJOLFLHAT-SHMGPBLASA-N 431.529 3.041 0 1 IGAF Cc1ccccc1-n1c(-c2cc(C(=O)N(C)Cc3ccccc3)c(O)cc2O)n[nH]c1=O 43179912 XOWIZECDQINJIB-UHFFFAOYSA-N 430.464 3.219 0 1 IGAF C[C@H](Nc1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)c1ccc2ccccc2c1 45252934 UXYOCRLZKBFANG-XOBRGWDASA-N 428.496 3.402 0 1 IGAF COc1ccc(COc2ncc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1 49054956 IRGAXRVNBKCWJU-UHFFFAOYSA-N 448.483 3.030 0 1 IGAF O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@H](c1ccccc1)CN2 82209141 OUVMBRAWFXDQJP-FQEVSTJZSA-N 432.455 3.417 0 1 IGAF Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1C(=O)c1cccc(C(F)(F)F)c1 96905492 UOERTPBGHFVTHS-UHFFFAOYSA-N 442.444 3.366 0 1 IGAF COc1cccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)=O)CC2)c(=O)n4C)c1 118535355 VSQITRQCJYCJJW-UHFFFAOYSA-N 431.496 3.142 0 1 IGAF O=C(Nc1ccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1)N1Cc2ccccc2C1 166189753 BNYPQMPAKOCIPX-LJQANCHMSA-N 434.540 3.029 0 1 IGAF COC(=O)c1ccc(NC(=O)Cc2c(O)n(C)c(=S)n2Cc2ccc(OC)cc2)cc1 169725061 VRRQFOQXDALIKY-UHFFFAOYSA-N 441.509 3.286 0 1 IGAF NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2ccncc2)c[nH]1 209408397 MIMLAAQNIITTDJ-NRFANRHFSA-N 437.931 3.110 0 1 IGAF NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2cccnc2)c[nH]1 209409548 FWPBYEPBSTUGGY-NRFANRHFSA-N 437.931 3.110 0 1 IGAF Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C/c2cnc3cccnn23)cc1 473108292 MBNHYMPDCHKXMB-CSKARUKUSA-N 430.443 3.033 0 1 IGAF O=C(O)c1ccc2nc(-c3cc(S(=O)(=O)NC4CC4)ccc3Br)[nH]c2c1 586951101 IAVGAPMRYXCJMG-UHFFFAOYSA-N 436.287 3.131 0 1 IGAF CC[C@@H](c1nc2cc3c(cc2[nH]1)OCC(=O)N3)n1cc(I)c(C)n1 587185730 XEGFHZDBDKELBZ-ZDUSSCGKSA-N 437.241 3.003 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2c(=O)oc(=O)c3ccccc32)N1 587770383 QBAOYVKLHOVIQU-YBTHPKLGSA-N 433.277 3.306 0 1 IGAF Cc1cccc(CNC(=O)c2cc(-c3nnn(C[C@H]4CC[C@H](CO)CC4)n3)cc(C)n2)c1 653688569 WWKNJJIDCGJRFQ-WGSAOQKQSA-N 434.544 3.081 0 1 IGAF CC[C@H](c1nnnn1Cc1nccs1)N1CCN(c2nc3cccc(F)c3s2)CC1 653807535 KTEYNNPECBLHRL-OAHLLOKOSA-N 444.565 3.200 0 1 IGAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](c2ccccn2)(c2ncc[nH]2)N1 962930949 XEBJCDPROHRFIR-GBXCKJPGSA-N 428.448 3.193 0 1 IGAF COC(=O)c1ccc([C@@]2(C3CCNCC3)NCCc3cnc4c(OC)cccc4c32)cc1 963068778 QNKMDCWQRIHLGC-SANMLTNESA-N 431.536 3.419 0 1 IGAF COc1cnc(N2CCOCC2)c2sc(NC(=O)C(C)(C)Oc3ccccc3F)nc12 1772576812 UHGAHHDHPVOIAI-UHFFFAOYSA-N 446.504 3.472 0 1 IGAF C[S@@](=O)c1cccc(-c2ccc3ncc(Nc4cccc(S(C)(=O)=O)c4)n3n2)c1 1857603375 VNWLLTUFJRUSDY-MUUNZHRXSA-N 426.523 3.281 0 1 IGAF COc1ccc(C2=NN(C(=O)CSc3nncn3C)[C@H](c3ccc(F)cc3)C2)cc1 4172003 LGRGKIJKIXEVOL-IBGZPJMESA-N 425.489 3.433 0 1 IGAF O=S(=O)(NCCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12)c1ccccc1 13815858 JIDSDCPOSIUPQK-UHFFFAOYSA-N 440.546 3.399 0 1 IGAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc([C@@H](O)C(=O)O)cc1 27870175 RMZFEJHUEFKIBK-NQIIRXRSSA-N 426.469 3.068 0 1 IGAF CCOC(=O)N1CCN(Cc2c(OC(=O)c3ccccc3)ccc3ccc(=O)oc23)CC1 29062644 YPFCFSCZBQFZJF-UHFFFAOYSA-N 436.464 3.286 0 1 IGAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc(Br)c2c(c1)ncn2C 36330269 QWZRNGBQOKSSMJ-UHFFFAOYSA-N 445.389 3.236 0 1 IGAF COc1cccc(Cn2c(=O)n(Cc3ccccc3OC)c3cnc(NC4CC4)nc32)c1 40423012 SWMYSPAKTVHYON-UHFFFAOYSA-N 431.496 3.281 0 1 IGAF COc1cccc(COC[C@H](O)CN(CCc2ccccn2)C(=O)c2ccccc2F)c1 45189133 GYCALUMSSHGFLH-OAQYLSRUSA-N 438.499 3.492 0 1 IGAF C[C@@H]1NCCn2cc(-c3c(F)cc4c(c3OC(F)F)N(C3CC3)C[C@H](C(=O)O)C4=O)cc21 45298595 WYONJDRKEQVPHY-HZMBPMFUSA-N 449.429 3.426 0 1 IGAF O=C(NC1CCCCC1)[C@@H]1O[C@@H]2O[C@H]1C(=O)N(Cc1ccccc1)[C@H]2Cc1ccccc1 45370578 HZPVKADHUDRRLO-NZCWTCFWSA-N 434.536 3.199 0 1 IGAF C[C@@H](CNC(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 66077652 SLZVKIRSPIZHMD-INIZCTEOSA-N 438.590 3.032 0 1 IGAF O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 73196751 YZEDSYSNLTXEHS-UHFFFAOYSA-N 438.505 3.231 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCCc1cccc(OC)c1OC 82199916 PARIKLUSVYAWIS-IHFQAILKSA-N 432.561 3.115 0 1 IGAF Cc1ncsc1CCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](C)CN2 82210897 YUVFQZDDNPYSPP-CYBMUJFWSA-N 437.525 3.362 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@@H](C)NC[C@@H]1C 95690034 DKOCUBLREHHOPE-WJONJSRFSA-N 443.519 3.172 0 1 IGAF CCC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 95873662 QXERRVTTWGDQIQ-BFLUCZKCSA-N 449.595 3.217 0 1 IGAF Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1C1=C[C@H](N)[C@H](O)CC1 96177733 MQPBLTYDXWTNQU-PZJWPPBQSA-N 436.462 3.295 0 1 IGAF CC1(C)CN(c2ccc3c(c2)[C@]2(COC(N)=N2)c2cc(-c4cncnc4)ccc2O3)CCO1 117779293 QPHLVXZLURTAQR-VWLOTQADSA-N 443.507 3.453 0 1 IGAF COCCN1C(=O)[C@]2(N=C1N)c1cc(CCC(C)C)ccc1CC21CCC(OC)CC1 141118125 KHEVEQJKEGRYGK-LRARRHDQSA-N 427.589 3.405 0 1 IGAF N#CN1CCC[C@@H](n2nc(-c3ccc(Oc4ccc(Cl)cn4)cc3)c(C(N)=O)c2N)C1 145638899 HECPFMSMYZURCE-OAHLLOKOSA-N 437.891 3.190 0 1 IGAF COc1cccc(CNC(=O)c2nc3scc(NC(=O)Cc4ccccc4)c3c(=O)[nH]2)c1 202718569 UGULCVOOFKSZON-UHFFFAOYSA-N 448.504 3.104 0 1 IGAF COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 586960687 NVFJHXJCDCMHKU-KYNGSXCRSA-N 440.525 3.439 0 1 IGAF CCOC(=O)CCCC(=O)NCCC[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571902 MXZCMTSVSAXLDH-PGRDOPGGSA-N 441.480 3.352 0 1 IGAF CC(C)(C)OC(=O)N1CCO[C@@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587595697 QCURHOGALPPHPG-DBXWQHBBSA-N 427.453 3.358 0 1 IGAF COc1ccc2oc(N)c([C@@H]3c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)c(=O)c2c1 962628598 CNMCHJZJKYGLPB-NBGIEHNGSA-N 445.475 3.120 0 1 IGAF CCN1C=C(C(=O)O)[C@@]2(NCCc3cnc4c(OC)cccc4c32)c2cc(OC)ccc21 963061874 VUHAYZGYFIVNRT-VWLOTQADSA-N 431.492 3.450 0 1 IGAF COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)OC(C)(C)C(=O)N2 1191111007 DZFJGVOWLQYSOW-UHFFFAOYSA-N 441.303 3.368 0 1 IGAF COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1OC 8604798 XUIRXAVILOMCOQ-KRWDZBQOSA-N 441.509 3.044 0 3 IGAF CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2OCC2CC2)CC1 3825355 OZYNWIFOAZCZEC-UHFFFAOYSA-N 437.588 3.196 0 1 IGAF CC[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc3c(c1)OCO3)[C@H](c1ccc(C(=N)N)cc1)N1CCC[C@@H]21 3832151 RCAUWWFTOCHSJH-KEXZDOINSA-N 446.551 3.272 0 1 IGAF in-vitro CN1CCN(c2nc(N3CCCC3)c3nc(Cl)c(NCc4ccccc4)nc3n2)CC1 13782034 DRKUMXRNQGUAKP-UHFFFAOYSA-N 438.967 3.037 0 1 IGAF Cc1ccc2c(c1)N(C(=O)N1C[C@H](C)N[C@@H](C)C1)Cc1c(C(=O)OC(C)(C)C)ncn1-2 13796015 VJJWDQAWGHONBZ-HOTGVXAUSA-N 425.533 3.258 0 1 IGAF CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CC4)CC(=O)N32)cc1OC 16032631 BENGHDNIFQVXNW-CJFMBICVSA-N 445.519 3.423 0 1 IGAF biogenic COc1ccc2c(C)c(CC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)c(=O)oc2c1C 26772086 MGFDHMSFKVKJNQ-HXUWFJFHSA-N 448.475 3.254 0 1 IGAF biogenic Cc1ccc(C(=O)O)cc1Nc1nc(N(C)CC(C)(C)C)nc(N2CCCN(C)CC2)n1 28637331 HWYJUFZHCVVPKA-UHFFFAOYSA-N 441.580 3.246 0 1 IGAF CCOC(=O)c1cn2ncnc(N(C)c3cc(C(=O)NOC)ccc3C)c2c1C(C)C 28966282 HWPGVHPRLOVOPS-UHFFFAOYSA-N 425.489 3.397 0 1 IGAF CCc1ccc(S(=O)(=O)NCc2cn(-c3cc(C)nc4ccc(OC)cc34)nn2)cc1 71281381 LTAPMNBOCDFNKX-UHFFFAOYSA-N 437.525 3.173 0 1 IGAF COCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82204598 ZFPMNYFAJKDVJQ-IBGZPJMESA-N 442.560 3.042 0 1 IGAF O=C(NCc1cn(Cc2ccc(F)cc2)nn1)Nc1ccc(C(=O)NCc2ccco2)cc1 84703949 UYGKBPFHGFLREB-UHFFFAOYSA-N 448.458 3.310 0 1 IGAF O=C(Nc1ccc(Cl)c(S(=O)(=O)C2CNC2)c1O)Nc1cccc(F)c1Cl 115474254 MHTGRXKQMVYVCG-UHFFFAOYSA-N 434.276 3.228 0 1 IGAF CS(=O)(=O)Nc1cccc(-c2cnc3sc(NCCOc4ccccc4)nn23)c1 117615140 ORCGNHGFBKOEKM-UHFFFAOYSA-N 429.527 3.320 0 1 IGAF O=C(O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 169352591 UTLIWAZSOYEKIX-IBGZPJMESA-N 428.876 3.465 0 1 IGAF CN(C)C(=O)c1ccc(-c2noc([C@@H]3[C@H]4C[C@H]4CN3C(=O)COc3ccccc3)n2)cc1 299857252 MQAYFBNRZOIGGW-CUWPLCDZSA-N 432.480 3.037 0 1 IGAF O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](Nc1ncc(C(F)(F)F)cn1)C2 473179532 OKDCFYLYBFCPIX-RCBQFDQVSA-N 447.396 3.073 0 1 IGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(=O)N(C)C)cc4[nH]3)CC2)cc1 586954809 IXVLXHKEBPKZAN-UHFFFAOYSA-N 426.542 3.141 0 1 IGAF CC1=C(c2ccc3nc([C@H](C)NC(=O)c4cc5c(C)nn(C)c5s4)[nH]c3c2)NNC(=O)C1 587038416 SSXZGUFDLXHYID-LBPRGKRZSA-N 449.540 3.066 0 1 IGAF COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352563 OZSFLEMWXLTNHV-ZQYRFBGISA-N 428.412 3.001 0 1 IGAF CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)C(C)(C)CN(C)C)c1O 1772573842 ODWSQJFSWAAPLX-CQSZACIVSA-N 429.970 3.390 0 1 IGAF C[C@@H](CC[C@H](O)CCO)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356579053 PBXYLMVLLSYZLN-IBNVEZSQSA-N 438.649 3.107 0 1 IGAF CCCCNC(=O)[C@H](C(C)=O)N(CCc1ccccc1F)C(=O)C(=O)c1cccs1 205862719 CYEYVVMFKSBUSC-IBGZPJMESA-N 432.517 3.015 0 3 IGAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@H]2NC(=O)[C@@H](N)Cc1c[nH]cn1 253677830 MGSCSNZRAARZBH-CFEIAJGOSA-N 426.605 3.088 0 3 IGAF COc1cc2ncn(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2cc1OC 1485624 VPUVFWFLLOJNOU-OXJNMPFZSA-N 435.524 3.084 0 1 IGAF COCCCN(C(=O)COc1ccccc1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 2491955 WWWCLFNJOYCIAR-FQEVSTJZSA-N 426.513 3.332 0 1 IGAF CCN(CC)c1ccc(CC(=O)Nc2n[nH]c3ccc(N4CCCS4(=O)=O)cc23)cc1 29041455 YFIUABKREHXFIM-UHFFFAOYSA-N 441.557 3.130 0 1 IGAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](/C=C/C=C/C=N/N=C(N)N)CC[C@]12O 43356653 HNFCRBSPVBTZDS-PJCNQWEPSA-N 428.621 3.493 0 1 IGAF O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCNCC1)c1csc(Nc2ccccc2)n1 82080958 AHYOMSVOGBNBQL-FQEVSTJZSA-N 449.580 3.050 0 1 IGAF COc1ccc(C(=O)Nc2nn(C(=O)C3CC3)c3c2CN(C(=O)c2ccccc2)C3)cc1 95577868 NYFYIUHAEVNVKU-UHFFFAOYSA-N 430.464 3.350 0 1 IGAF CCCN(C)C[C@H]1Oc2ncc(-c3ccccc3OC)cc2C(=O)N([C@@H](C)CO)C[C@H]1C 95726435 QVNCVFKAODAXPC-IEGUWTFLSA-N 441.572 3.319 0 1 IGAF Cc1csc([C@](C)(O)c2nnc(Nc3ncn(Cc4c(F)cccc4F)n3)s2)n1 103283794 CHHHEJNQMGBWRA-KRWDZBQOSA-N 435.485 3.220 0 1 IGAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cn(-c2cccc(OC(F)(F)F)c2)nn1 146994775 SQUVVNMUHMVTFD-GOSISDBHSA-N 433.390 3.079 0 1 IGAF C[C@@H](CO)Nc1ncc2c(n1)CN(C(=O)N[C@H](C)c1ccc(C(F)(F)F)c(F)c1)CC2 169329979 PUBDIGIICIUOBQ-NWDGAFQWSA-N 441.429 3.256 0 1 IGAF NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(C(N)=O)cc3)c[nH]2)CC1 299840298 UXCQKLRVLBOFGG-NYVOZVTQSA-N 445.567 3.341 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 299873781 AHZPOZKPNDCNGW-YSZBQJHXSA-N 440.540 3.376 0 1 IGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 586937518 FXBLSJKNCZJBHV-MRXNPFEDSA-N 428.558 3.139 0 1 IGAF CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cnnc(O)c2[nH]1 587221567 WHZVJDQLKQVXPM-CQSZACIVSA-N 427.461 3.148 0 1 IGAF CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587395488 NAWSAMOQZLEVBQ-MWTRTKDXSA-N 432.517 3.491 0 1 IGAF COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccnc(N)c2[nH]1 587788292 WBCWQLAQVFKCAT-UHFFFAOYSA-N 436.424 3.514 0 1 IGAF Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc2cc(C(=O)O)nn12 587793746 KPPIUHKLOKORRN-UGZDLDLSSA-N 433.281 3.435 0 1 IGAF CCOC(=O)C(C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC 587800212 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428.233 3.241 0 1 IGAF CN1C(=O)[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CCc2ccccc21 28952624 QQZVXBNEPMPDFW-WOJBJXKFSA-N 437.540 3.216 0 1 IGAF COc1cc(C2=NN(C(=O)COc3ccccc3)[C@H]3CCC[C@@H]23)c(C)cc1OCC(=O)O 35003056 AJRNDBRFBAKLFK-MJGOQNOKSA-N 438.480 3.261 0 1 IGAF C/C=C/c1ccc(O[C@H](C)C(=O)NCCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 40503503 BOBIHAFNADTPBL-SYJIQKIWSA-N 443.588 3.205 0 1 IGAF CNc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NC1CCCCC1 43553596 DQXYMSQWWIUTBA-CXXPOSQYSA-N 435.634 3.439 0 1 IGAF biogenic CC(C)C[C@H](N)COc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 58591886 LKIZVPXXBLGSAH-FQEVSTJZSA-N 448.567 3.342 0 1 IGAF O=S(=O)(c1ccc(F)cc1)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 95878170 YVHSKUGDWRDHGV-QGTPRVQTSA-N 441.322 3.127 0 1 IGAF CCOC(=O)c1c(C)nn(-c2ccccc2)c1OCCCN1C(=O)c2ccccc2C1=O 103217595 QKIPQSGGFOGUEQ-UHFFFAOYSA-N 433.464 3.423 0 1 IGAF CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN(C)C)n2)on1 166354900 KXVVGQXTGNTGHX-UHFFFAOYSA-N 426.525 3.485 0 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Nc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 1772593604 VGNWINMWRQYNCC-UHFFFAOYSA-N 427.269 3.130 0 1 IGAF COc1cccc2c(C(=O)NCc3cccc(COc4ccccc4F)n3)nc(N)nc12 1772656335 UJNRKSMTNRVTLT-UHFFFAOYSA-N 433.443 3.264 0 1 IGAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@H](NC5CC5)C4)cc3)sc2n1 1857615714 HLQNOGSWTIZTBF-SFHVURJKSA-N 435.597 3.490 0 1 IGAF Cc1cc(=O)oc2cc(OCCSC(=S)N3CCN(c4ncccn4)CC3)ccc12 1857633953 VSEHSGYQHWSVSX-UHFFFAOYSA-N 442.566 3.111 0 1 IGAF C[C@H](CN1CCCCC1)N=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=N[C@H](C)C2CC2)[nH]1 1857654215 PQCFYGRRHLHCMI-HUUCEWRRSA-N 449.525 3.293 0 1 IGAF O[C@H]1[C@H](N2CCC(Cc3ccccc3)CC2)[C@H]2OC[C@@H](O2)[C@@H]1NCc1c[nH]c2ccccc12 2356301562 MDSXLKYRMNOMNR-KQZFZZGISA-N 447.579 3.065 0 1 IGAF CC1(C)OC(=O)C=C[C@]2(C)[C@@H]1CC[C@@]13C[C@]4(C)C=C5C(=O)OC[C@]5(O1)[C@@](C)(C[C@H]32)C4=O 2356493741 FJUKORDKRQJGNE-LRPGYQDYSA-N 426.509 3.291 0 1 IGAF O=C(O)C[C@H]1CCN(Cc2ccccc2)C[C@H]1CCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2356771254 SVJXCJROFMLTFM-YCAMKHIRSA-N 449.595 3.271 0 1 IGAF CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3cccc(OC)c3)o2)cc1 1329728 DIJBSYDYBGOZNS-UHFFFAOYSA-N 433.511 3.482 0 3 IGAF Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(C(=O)C5CCCCC5)C4)nc2-3)c1 103969652 PCVZQJIWPGCDHM-IBGZPJMESA-N 448.571 3.418 0 3 IGAF COC(=O)/C=C/c1cc(OC)c2c(c1)[C@H](C(=O)OC)[C@@H](c1ccc(OC)c(OC)c1)O2 1645367 PSIYZHFYCJVWJB-AWTHQZBNSA-N 428.437 3.289 0 1 IGAF COC(=O)CCc1cc(OC)c2c(c1)[C@H](C(=O)OC)[C@H](c1ccc(OC)c(OC)c1)O2 1645368 VYPDDYLRLTWJLX-SFTDATJTSA-N 430.453 3.208 0 1 IGAF CNC(=S)N(CCCOC)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 2487459 MVJCVUDSVFLGLF-PKOBYXMFSA-N 449.617 3.040 0 1 IGAF Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)cc1Cl 8598260 QNUDZUQLFKRRLI-HNNXBMFYSA-N 436.946 3.445 0 1 IGAF O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(S(=O)(=O)N2CCCC2)cc1 14686503 CNCWDFPNPFRLQA-UHFFFAOYSA-N 432.889 3.427 0 1 IGAF Cc1cnc(C)c(N2CCN(C(=O)CCN3Cc4cc(Cl)ccc4O[C@H](C)C3)CC2)n1 14997313 CZFVCADQQDQEIQ-QGZVFWFLSA-N 443.979 3.069 0 1 IGAF C[C@H](Oc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-])c1ccccc1 43069058 OAFHRBGCJPZVTA-NSHDSACASA-N 432.221 3.261 0 1 IGAF Cc1c2c(n3c1CCCNC(=O)C[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 71334759 ZMWGRGWSDBRICN-AWEZNQCLSA-N 436.556 3.293 0 1 IGAF C[C@@H](CN1CCC(n2c(=O)[nH]c3ccc(F)cc32)CC1)NC(=O)c1ccc(F)c(F)c1 72134849 HPTPLUVUBNHEQY-ZDUSSCGKSA-N 432.446 3.202 0 1 IGAF CCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@H](c1ccccc1)CN2 82224377 AMVMKFDJUUZWMD-FQEVSTJZSA-N 433.512 3.005 0 1 IGAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1Cc1ccccc1 95880045 DAJMAJGSXPEBGA-YQIMAOPZSA-N 447.579 3.106 0 1 IGAF O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12)N1C[C@@H]2C[C@H]1CO2 118400570 CFTQSUXKDYMQPE-YZVOILCLSA-N 440.454 3.354 0 1 IGAF Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2cnc(C(F)(F)F)cn2)C3)c1-n1nccn1 221058515 FUWWGWDGZGAMFS-IMJJTQAJSA-N 443.433 3.242 0 1 IGAF NCCNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)c1ccccc1)C3 223660625 DUBGGPWILQCINP-UHFFFAOYSA-N 430.537 3.322 0 1 IGAF O=S(=O)(N[C@H](c1ccccc1)c1nc2c(S)nc(S)nc2[nH]1)c1ccc(F)cc1 587171812 WOVWCFZDUOOKET-CYBMUJFWSA-N 447.542 3.137 0 1 IGAF Cc1c(I)cnn1[C@H](C)c1nc2cc(Br)ncc2[nH]1 587182708 QYJCSYZIOAMHDV-SSDOTTSWSA-N 432.063 3.439 0 1 IGAF COc1cc2c3c(c1)O[C@](C)(c1cc4c(cc1Br)NC(=O)CO4)[C@@H](C2)C3=O 587420550 XVVXQQJIQUYMON-FKIZINRSSA-N 430.254 3.451 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc(Cl)nc1N1CCOCC1 587551100 CWGHPLDRRVATCV-FXAWDEMLSA-N 439.855 3.375 0 1 IGAF CCN1c2ccccc2[C@@]2(CS1(=O)=O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587612940 LNUCVDPCLGLDLJ-NFBKMPQASA-N 437.473 3.419 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CNC(=O)CCC(=O)O)(c2ccccc2)N1 587754307 JLPMPABSBQUSQN-ASSNKEHSSA-N 449.320 3.347 0 1 IGAF Cc1ccc(S(=O)(=O)N2CC3(C2)N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 587840145 JTCKTMJYAFMWJU-ZDUSSCGKSA-N 439.350 3.331 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(CN(C)S(C)(=O)=O)o2)N1 587843389 ZHAQPVSYZOPBJF-BTDLBPIBSA-N 431.327 3.196 0 1 IGAF 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C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](CO)[C@H](C)CC 82197080 QQQQLTKCRKONKD-ILZBAICGSA-N 430.589 3.095 0 1 IGAF COc1cccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3C(=O)c2ccc(F)cc2)c1 95603703 DMZOAGGJCGYILZ-KMDXXIMOSA-N 446.478 3.464 0 1 IGAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O 95715728 NDWRSXXPENLXNY-FJNWQDDMSA-N 444.597 3.187 0 1 IGAF COc1cc(C[C@@H]2C[S@@](=O)C[C@H](NCc3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N 96284119 YDLJWZHCJHGQOV-QJIDTULZSA-N 448.604 3.154 0 1 IGAF Cc1ccccc1-c1nn(-c2cc(F)ccc2F)cc1CNCCN1CCN(C)CC1 96938968 YSVRDOPNVFBOKB-UHFFFAOYSA-N 425.527 3.463 0 1 IGAF CN(C)C(=O)c1ccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)NC3CCCC3)cc2)cc1 100093653 SNKIJGGWIINDQI-BKFWDETESA-N 432.568 3.447 0 1 IGAF Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)[C@H]1CC[C@@H](C2)N1 113223167 IWAXJAXOICJNEI-HNAYVOBHSA-N 431.471 3.187 0 1 IGAF COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3(C)C)n2)cc(OC)c1OC 141902101 UFDCMNNLCZUOBP-OAHLLOKOSA-N 437.496 3.474 0 1 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COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@@]12NCCc1cnc3c(OC)cccc3c12 963041941 ZUHFMMWBMXAQPN-HFZDXXHNSA-N 431.536 3.280 0 1 IGAF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccccc2CN2CCOCC2)(C2CC2)N1 963238638 VRQGSZODKZUGRD-AHKZPQOWSA-N 443.547 3.320 0 1 IGAF CN(c1cnc(C(F)(F)F)cn1)[C@H]1CCC[C@@H]1NC(=O)c1c(F)cccc1-n1nccn1 1772588450 SHORJJBOUUXHEA-KBPBESRZSA-N 449.412 3.003 0 1 IGAF Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3cc(F)c(N4CCNCC4)cc3F)sc2n1 1857605517 DIMLWPCIAHNRFA-LBPRGKRZSA-N 445.539 3.408 0 1 IGAF Cc1cc(S(=O)(=O)c2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c2ccccc2[n+]1[O-] 13744326 RXJZBSPJBNTCOJ-UHFFFAOYSA-N 443.488 3.462 0 1 IGAF O=C(NCCN1CCCC1)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1 45338278 GPUBGWRFNJRFNS-UHFFFAOYSA-N 427.376 3.127 0 1 IGAF COC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)NCCc1ccccc1 66111497 IMNHGEDOARICPT-NRFANRHFSA-N 441.528 3.167 0 1 IGAF CCOc1ccccc1-c1nc(C(=O)NCc2ccc(C(=O)OCCN)cc2)cs1 82069837 LEMNNHZRLZCGAV-UHFFFAOYSA-N 425.510 3.254 0 1 IGAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccco1 82143126 VTZJNZPBWFPDHT-GOSISDBHSA-N 433.512 3.101 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C 95679619 FJDWUCHGYMGICZ-DGGJZMOXSA-N 443.588 3.251 0 1 IGAF O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@@H]1CO 95794237 RGJBWJPEIDPDHJ-YRISNDGFSA-N 449.502 3.334 0 1 IGAF CNS(=O)(=O)[C@@]12CC3C[C@@H](C1)[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H](C3)C2 101102731 LAWOOLSGJUVOSC-SQBRUUDASA-N 440.993 3.110 0 1 IGAF COC1CCC2(CC1)Cc1ccc(OCC(F)(F)F)cc1[C@]21N=C(N)N(CCF)C1=O 169700454 GCNZQNXCFKMJOJ-XATSIWNJSA-N 443.441 3.081 0 1 IGAF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cncn3C)[nH]c12 222325293 BUROCHRBIQFVQB-UHFFFAOYSA-N 441.499 3.074 0 1 IGAF CN(C[C@@](C)(CCN1CC[C@H]2NCC[C@H]2C1)c1ccccc1)S(=O)(=O)c1ccccc1 253681557 BGPCWZSXSNZJJJ-FTBPSBKWSA-N 441.641 3.339 0 1 IGAF CNC(=O)n1nc2c(c1C)[C@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O 261178014 VJIUYADBWVTBNH-IBGZPJMESA-N 449.902 3.442 0 1 IGAF CCCCc1ccc(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)cc1 299876896 GLCARHVYWQDITM-ZVDOUQERSA-N 429.586 3.388 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(F)c(F)c3[nH]2)C(C)C)cc1 586933925 ZIMGQFXOZFMNCX-SFHVURJKSA-N 436.484 3.153 0 1 IGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccnc(Br)c2[nH]1 586936418 MMGUZRAHTKROHG-CYBMUJFWSA-N 441.376 3.493 0 1 IGAF O=c1c(-c2nc3cc(-n4cnnn4)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 587006014 FERBXGMTFSHNGU-UHFFFAOYSA-N 448.284 3.178 0 1 IGAF CC(C)(C)OC(=O)N1C[C@]2(C[C@@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587584436 YASINWQXECLGAP-UYFSRDTQSA-N 441.436 3.187 0 1 IGAF CCOc1ccc(-c2nn(C(=O)C(=O)N3CCCC3)c(=O)c3ccccc23)cc1OCC 587670147 PAZVCUDCFGYHKS-UHFFFAOYSA-N 435.480 3.124 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ncc(Br)cc12 587684843 PXYJQHZCYMPDQS-VGDKGRGNSA-N 441.098 3.476 0 1 IGAF COc1ccc2c(c1OC)[C@@H](c1ccccc1OCCO)N(C(=O)c1ccccc1N)CC2 963158287 NKUPEGNTHCERER-XMMPIXPASA-N 448.519 3.445 0 1 IGAF CN1C[C@H](NC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1=O 1772620909 HJDQZJYSSDNWCG-CQSZACIVSA-N 430.386 3.401 0 1 IGAF FC1(F)CC[C@@H](N=c2nc(-c3cncc(Cl)n3)[nH]c(=N[C@@H]3CCC(F)(F)C3)[nH]2)C1 1857648190 RZIGAQYBYPZUMX-NXEZZACHSA-N 431.825 3.025 0 1 IGAF Cc1ccc2c(c1)[n+](=O)c(C(=O)NCCNc1ccnc3cc(Cl)ccc13)c(C)n2O 1857648219 BRLIGNZJDIQCMZ-UHFFFAOYSA-O 438.895 3.453 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@@H](C)[C@H]2O 2356528011 RGJPPASWKJBDTJ-LAARNHDHSA-N 432.469 3.469 0 1 IGAF CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1ccc2ccccc2c1 31174644 KMUQQVJELVBXPY-UHFFFAOYSA-N 425.435 3.335 0 3 IGAF COc1ccc(Br)cc1[C@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CCOCC1 767167 BMCBRDTXCAKFJW-AZUAARDMSA-N 445.313 3.408 0 1 IGAF COCc1nc2c(OC)c(-c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)cc(OC)c2[nH]1 1658052 RLUIGVFSEGETHV-UHFFFAOYSA-N 436.516 3.022 0 1 IGAF COCCN1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2114169 KBQXSYDWANXNGC-BXKMTCNYSA-N 437.927 3.499 0 1 IGAF biogenic CN(c1ccc2c(c1)nc(Cc1ccc(C(=N)N)cc1)n2C)S(=O)(=O)c1ccccc1 13473160 SYZUJYFPAVCVJF-UHFFFAOYSA-N 433.537 3.273 0 1 IGAF N[C@H](CNc1ncc(-c2ccc3nnn(N)c3c2)s1)Cc1ccc(C(F)(F)F)cc1 49089232 GIDICEDQVLRALE-AWEZNQCLSA-N 433.463 3.269 0 1 IGAF CN1CCc2nc(C(=O)Nc3cnccc3CNC(=O)c3ccc(Cl)s3)sc2C1 66065925 IEFFPRFXSIHJIZ-UHFFFAOYSA-N 447.973 3.423 0 1 IGAF Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2[C@H]2CCOC2)cc1 73220049 WAWWEYNGBNBIMY-IRXDYDNUSA-N 448.589 3.427 0 1 IGAF COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@H]34)cc2)cc1 95798072 AMTKRMGMWFDPFB-MZKUHISZSA-N 442.515 3.174 0 1 IGAF OC[C@@H]1CN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CCN1 117688199 AEGFSPXXRDTWHN-INIZCTEOSA-N 444.543 3.004 0 1 IGAF Cc1nc([C@@H](NC(=O)c2cc(O[C@@H](C)C(F)(F)F)c(C3CC3)cn2)C2(C)COC2)no1 146268187 AHXHLHDSESGHBO-MGPLVRAMSA-N 440.422 3.488 0 1 IGAF CS(=O)(=O)c1ccc([C@@]2(CO)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587360666 OYDASKTVGODKBL-JTHBVZDNSA-N 442.464 3.182 0 1 IGAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c(C(=O)N3CCC[C@H](CO)C3)c1)CC2=O 587480624 DRZCLGRUNYOKPL-OWJWWREXSA-N 426.513 3.398 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ncc(Br)cc12 587683482 NMJIPFBRXMZYCE-HYORBCNSSA-N 441.098 3.476 0 1 IGAF CCOC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2)N[C@@H](C)Cc1ccc(F)c(Br)c13 587795635 RUOGQSVDUCRLTL-WCLSURKFSA-N 425.342 3.411 0 1 IGAF CC(=O)N1CCc2c(C(=O)N3CCC(c4c(F)cccc4C(F)(F)F)CC3)n[nH]c2C1 1772587144 SGHDFUMUJLRANA-UHFFFAOYSA-N 438.425 3.492 0 1 IGAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@H](O)[C@H]1CO 1772624627 JWLGLAVJWHYMRZ-MSOLQXFVSA-N 433.386 3.009 0 1 IGAF COc1ccc(CC(=O)Nc2ccc(-n3c4c(c5nc[nH]c(=N)c53)COC4)cc2)cc1C 1857609199 BLIZIYXWDANWKD-UHFFFAOYSA-N 429.480 3.361 0 1 IGAF COc1ccc(C2CCN(C(=O)Oc3cccc(N4CCS(=O)(=O)CC4)c3)CC2)cc1 1857618578 CEXFDKMEHLRHSQ-UHFFFAOYSA-N 444.553 3.308 0 1 IGAF COc1cc(/C=C/C(=O)NCCN=c2c3c([nH]c4ccccc24)CCCC3)cc(OC)c1O 1857643592 RBPROIIKBTZEKD-VAWYXSNFSA-N 447.535 3.500 0 1 IGAF O=C(Cc1ccc(Cl)cc1)OC[C@@H](O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 1857745952 WMJSZSKLYVDEPK-RSFAQHHSSA-N 447.896 3.190 0 1 IGAF O=C(Cn1cnc2c(NCc3ccccc3)ncnc21)NCCc1cc2ccccc2[nH]1 61945270 TZDODZHPUNQJHV-UHFFFAOYSA-N 425.496 3.279 0 3 IGAF Cc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)c(S(=O)(=O)N2CCOCC2)c1 206493890 URICFVROUAUHKE-UHFFFAOYSA-N 442.459 3.216 0 3 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccccc1N 4333170 FKQHFKZOQXECJE-KBAXUAGMSA-N 437.540 3.046 0 1 IGAF CC1CCN(c2c(NCC3CCC(C(=O)N[C@@H]4CCCC[C@H]4C)CC3)c(=O)c2=O)CC1 20418586 MSAFLELAJFFFRP-YNIZLOQISA-N 429.605 3.432 0 1 IGAF CC1(C)OC[C@H]([C@@H]2O[C@@H](OC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 31872511 BHLPICAGQSYCKG-HNLJFRNMSA-N 432.391 3.259 0 1 IGAF C[C@H](N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)Nc2ccccc2)c1 40405046 AJJLVHLACKDILE-ZDUSSCGKSA-N 431.418 3.107 0 1 IGAF CC1(C)C=C(C(=O)NCCCNC(=O)COc2ccc(Cl)cc2Cl)C(C)(C)N1 40466204 OQLQJKGASCXMIJ-UHFFFAOYSA-N 428.360 3.082 0 1 IGAF CCOC(=O)C(C(=O)OCC)c1c(Cl)cnn(Cc2cccc3ccccc23)c1=O 73316453 BRVRNNCTGPTWPK-UHFFFAOYSA-N 428.872 3.308 0 1 IGAF COc1cc2nc(N3CCC(C(N)=O)CC3)nc(NCC3CCCCC3)c2cc1OC 82125197 QRVHBJUPLBRTGS-UHFFFAOYSA-N 427.549 3.341 0 1 IGAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1F 82150922 LSLRJNHDHBXKAJ-GUXCAODWSA-N 439.535 3.293 0 1 IGAF CN1CCN(Cc2cccc3c2ccn3S(=O)(=O)c2ccc(Br)cc2)CC1 95558549 QYTJFOQJWICKHP-UHFFFAOYSA-N 448.386 3.388 0 1 IGAF COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCNCC3)c12 117790248 CZVSIRAXWOPYTM-UHFFFAOYSA-N 436.899 3.287 0 1 IGAF Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C(F)(F)F)nc2C)n1 143097467 OBAXUAJKPKQQSB-UHFFFAOYSA-N 428.422 3.183 0 1 IGAF CC(=O)O[C@H](C[C@]1(C)[C@@H](C)C[C@@H](OC(C)=O)[C@@]2(O)CC(C)=CCC[C@@H]12)C1=CC(=O)OC1 238786381 KBSIJJNXWPDPEA-IOSCEKSTSA-N 434.529 3.247 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(N3CCOCC3)ccc12 587591449 FJTGAFWLNZWCKI-OFVILXPXSA-N 444.443 3.038 0 1 IGAF C[C@@]1(c2ccc(N3CCOCC3)s2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962624347 BUJQMFVAWMUQKW-YJYMSZOUSA-N 442.459 3.346 0 1 IGAF CC1(C)CC2=C([C@@]3(C1)N[C@H](C(=O)O)Cc1cc(F)ccc13)[C@]1(C)CC(=O)N(C3CC3)[C@H]1O2 962912417 PGQQLLPFOROWPE-WBLNZAHASA-N 440.515 3.451 0 1 IGAF CN(C)C(=O)c1ccc2c(c1)[C@]1(NCC2)c2ccccc2COc2ccc(CC(=O)O)cc21 962927272 PQNBGVABGVGVIE-HHHXNRCGSA-N 442.515 3.346 0 1 IGAF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc(Br)cn1)(C(F)(F)F)NCC2 962927904 FLCCGBZYXPAXHK-KRWDZBQOSA-N 428.252 3.498 0 1 IGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(C)CC(=O)Nc1nccs1 963135735 FTBJALWMDMUJCB-BBATYDOGSA-N 438.531 3.090 0 1 IGAF CC(=O)NCCN[C@@H]1CCc2c(sc3ncn(Cc4ccc5ccccc5c4)c(=O)c23)C1 1772655169 KKXJYRGIGFFFCG-HXUWFJFHSA-N 446.576 3.243 0 1 IGAF COc1cc(C[C@@H](COC(C)=O)[C@@H](CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC 2356412241 LFUFKUFEHAHTRG-MOPGFXCFSA-N 446.496 3.014 0 1 IGAF O=C(NCc1ccccc1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Nc1nccc(-c2ccccc2)n1 2356512198 VSJPMJFJRYHYHM-GXRSIYKFSA-N 432.480 3.017 0 1 IGAF O=C(NCc1ccccc1)c1cc([C@@H]2COCCN2C(=O)c2ccc(Cl)cc2)on1 61906554 SPRBITYZGXXSOW-IBGZPJMESA-N 425.872 3.472 0 3 IGAF COc1c(F)cc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cc1F 13762160 LCCVBKWYQBQOJT-UHFFFAOYSA-N 433.358 3.492 0 1 IGAF O=C(O)[C@@H]1CC2(CN1C(=O)C[P@@](=O)(O)CCCCc1ccccc1)SCCS2 21288905 SCLVAMUVMTZGEU-INIZCTEOSA-N 443.527 3.142 0 1 IGAF NCCCC[C@@H](C[P@](=O)(O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 26248572 YMWSZSQXNKPFPB-PMACEKPBSA-N 438.505 3.101 0 1 IGAF O=C1N[C@@H](Cc2ccccc2)[C@@H](C(=O)NCCCN2CCC3(CCc4ccccc43)CC2)O1 28569066 XREPEKUUXHOJKM-ZEQRLZLVSA-N 447.579 3.192 0 1 IGAF CS(=O)(=O)c1ccc2nc(NC(=O)NCc3nc(-c4ccccc4)c[nH]3)sc2c1 28710423 KLRFOLXMDIPPKI-UHFFFAOYSA-N 427.511 3.412 0 1 IGAF C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C[C@H](C)N1 32016649 CTWGYQIEMLEBCD-RYUDHWBXSA-N 431.414 3.293 0 1 IGAF CC(=O)N[C@@H](CCN1C[C@H]2CN(C(=O)c3cccc(F)c3)C[C@H]2C1)c1cccc(F)c1 58519577 UTDCLIIZDCCLBG-MZKRTTBSSA-N 427.495 3.236 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)NC[C@H]1C 95692582 WWIWLTDSUPVNED-YVHKJVDXSA-N 431.577 3.299 0 1 IGAF CCCNC(=O)N1CC2(C1)CN(Cc1ccccc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 95865260 AWLCRMOZLFXOPY-JOCHJYFZSA-N 448.567 3.399 0 1 IGAF COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1 95900510 YVFPRJXGACQPOR-CKJDJMSUSA-N 430.432 3.027 0 1 IGAF CC(C)[C@@H](NC(=O)CC(C)(C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 96272183 PTNKPLPRPJERNR-XXBNENTESA-N 438.996 3.088 0 1 IGAF in-vitro COc1ccc(Cl)cc1C(=O)NCCc1ccc(CCC(=O)N2CCOCC2)cc1 103298923 XVHVBEDBRTUKCZ-UHFFFAOYSA-N 430.932 3.113 0 1 IGAF CN(C)[C@@H](C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1 139607553 JEZHBYCMBKMXCK-JOCHJYFZSA-N 449.536 3.119 0 1 IGAF NC[C@@H](c1ccc(Cl)c(F)c1)N1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1 218679519 JNCDNFPUXLKIJP-IBGZPJMESA-N 444.917 3.479 0 1 IGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3CCC(O)CC3)cc1)CC2=O 587474900 KWDNHRRHHQTUMB-QHCPKHFHSA-N 439.508 3.413 0 1 IGAF CCOC(=O)C[C@]1(C(OCC)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591932 FMVZONNRGFFCGS-XXBNENTESA-N 430.453 3.445 0 1 IGAF CC(C)c1nccc(C[C@@H]2[C@H](NCc3ccc(OC(F)(F)F)cc3)C[C@@H](O)[C@H]2CO)n1 2356318314 FJHNAXSEXKQXDU-VNTMZGSJSA-N 439.478 3.189 0 1 IGAF Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@H](C(=O)NCCc3ccc(Cl)cc3)[C@@H]4C2=O)cc1 3645699 BDZORXDRTRDKER-FUCAVZNHSA-N 436.939 3.289 0 1 IGAF CC(=O)N1CCC(NC[C@H]2C[C@H]3CCN2C[C@@H]3c2cc(-c3ccccc3)nc(C)n2)CC1 43528233 AMFUSBGNZHQRIT-JRFVFWCSSA-N 433.600 3.230 0 1 IGAF biogenic C[C@@H](C(=O)NCc1ccc(Br)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73224044 JKMIMEQWJAPXHW-LLVKDONJSA-N 429.311 3.380 0 1 IGAF COc1cc2nc(N3CCC(CCO)CC3)nc(NCCCOC(C)C)c2cc1OC 82129888 PQKVYXQACUOABY-UHFFFAOYSA-N 432.565 3.473 0 1 IGAF Cc1ncsc1CCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@@H](c1ccccc1)CN2 82209317 HUMPXZUCOLOSCM-GOSISDBHSA-N 439.585 3.491 0 1 IGAF CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@@H]2CC[C@H]3N2C)cc1 95587213 AQODXCHGIFZIIO-ZAAXVRCTSA-N 436.560 3.202 0 1 IGAF CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@H](CO)O1 95900154 QBSUFJTZYVNGJZ-RAKJYXHLSA-N 439.512 3.241 0 1 IGAF O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(NC2CCOCC2)nc1C1CCC1 101584470 SZQOXFDYAUHBOI-SWRNFOARSA-N 426.561 3.004 0 1 IGAF CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](C1(c3ccccn3)CCC1)NCC2 114981424 UTJFJGHQJHOAEZ-JOCHJYFZSA-N 429.586 3.099 0 1 IGAF O=C(Nc1cccnc1Cl)Nc1ccc(Cl)c(S(=O)(=O)[C@@H]2CCCNC2)c1O 115475010 PKYWPWXABSTTKQ-SNVBAGLBSA-N 445.328 3.264 0 1 IGAF COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc([C@@H](C)c3ccccc3)cc21 205480059 IHGCICJEOROZAH-SVFBPWRDSA-N 436.600 3.166 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC(F)(F)F)n3)C2)cc1 261135925 MBJSNTVRXFKMPA-KBXCAEBGSA-N 437.466 3.330 0 1 IGAF COc1cc2nc(N3CCCC3)nc(NCCCCCN3CCN(C)CC3)c2cc1OC 299824428 CAEBMUWEPRDAKS-UHFFFAOYSA-N 442.608 3.077 0 1 IGAF COc1cc2c3c(c1)O[C@](/C=C/N(C)C)([C@@H]1CN(Cc4ccccc4)CCO1)[C@@H](C2)C3=O 587439119 TZBCASVHBJUJGK-LWFOCODDSA-N 434.536 3.158 0 1 IGAF COC(=O)C1=C2CCCCCN2C(=O)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587589461 OYMZWNFBCBRQOH-BWKNWUBXSA-N 449.459 3.326 0 1 IGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1CCN(S(C)(=O)=O)CC1 587866771 OZUJYBDORWCXEB-UHFFFAOYSA-N 445.463 3.279 0 1 IGAF Cc1c2c(nn1C)[C@@H](c1ccc(Br)c(OC(F)(F)F)c1)N[C@@H](C(=O)O)C2 962711644 MIYNRWLTBIXJAL-DGCLKSJQSA-N 434.212 3.078 0 1 IGAF CN(C)C(=O)c1ccc2c(c1)[C@@](c1ccc(Br)cc1)(c1ncc[nH]1)NCC2 962926418 CEPMTTKKGWKSEF-NRFANRHFSA-N 425.330 3.312 0 1 IGAF CC(C)(O)c1ccc(-c2cc3nc(O[C@H]4CO[C@H](CO)[C@@H](O)C4)[nH]c3cc2Cl)cc1 1772637813 HRYPGEFKADGMKY-VOBQZIQPSA-N 432.904 3.000 0 1 IGAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NCc3ccc(C(F)(F)F)cc3)C[C@H](O)[C@H]2CO)n1 2356288436 DJSDTXDDIHJYDT-HAGHYFMRSA-N 437.506 3.483 0 1 IGAF O=C(NCCC1=CCCCC1)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1 20418725 RNSFCNCKRDKVSZ-UHFFFAOYSA-N 427.589 3.498 0 3 IGAF COc1cc([C@@H]2CN3C(=O)CNC(=O)[C@@]3(C)c3[nH]c4ccccc4c32)ccc1OC(C)C 2130890 KFVWQIQQWWBBJN-SSOJOUAXSA-N 433.508 3.283 0 1 IGAF biogenic CCCCO[C@@H]1C[C@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2ccco2)C1 4202212 BUVVNLIQBXKVHL-NHCUHLMSSA-N 427.545 3.322 0 1 IGAF CC(C)C[C@H]1NC(=O)[C@H]([N+](=O)[O-])Cc2cn(c3ccccc23)C(=O)c2ccccc2NC1=O 14682459 KGMJPYKOPYIKIO-TZIWHRDSSA-N 448.479 3.001 0 1 IGAF biogenic CCCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OCC 27094021 YKHIXAGPCBUIAJ-RBUKOAKNSA-N 434.533 3.135 0 1 IGAF CN(C(=O)CNC(=O)[C@H](N)Cc1ccccc1)c1ccc(Cl)cc1C(=O)c1ccccc1 27865843 VDKALJALMRQMMZ-OAQYLSRUSA-N 449.938 3.220 0 1 IGAF CCN(CC)C(=O)c1ccc(OCCN(C)CCc2ccc(NS(C)(=O)=O)cc2)cc1 40802324 WLEFZQAAIZDEMY-UHFFFAOYSA-N 447.601 3.093 0 1 IGAF O=C(CNC(=O)c1coc(-c2cccs2)n1)NCc1cccc(OC(F)(F)F)c1 82084798 PRUOYKZBGSFPCH-UHFFFAOYSA-N 425.388 3.348 0 1 IGAF COc1cc2nc(N3CC[C@@H](NC(C)=O)C3)nc(NCCCc3ccccc3)c2cc1OC 82131889 OTKJDQMWTNYINI-LJQANCHMSA-N 449.555 3.407 0 1 IGAF NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)C1 82217128 BNJURTMCXJGSLP-KRWDZBQOSA-N 439.535 3.295 0 1 IGAF O=C(Cc1ccncc1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@H]2C1 95873748 SDSXGZBNTFUEJJ-SLQPCKNISA-N 442.563 3.137 0 1 IGAF Cn1c(N2CCO[C@@H](c3c(F)cccc3Cl)C2)nc(-c2ccncc2F)c(F)c1=O 113088726 SJXGXXBZGMLZLO-OAHLLOKOSA-N 436.821 3.491 0 1 IGAF Cn1ncc(NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)c1N1CCC[C@@H](N)CC1 144731857 LCLHYQYLXQMIBR-CYBMUJFWSA-N 444.461 3.469 0 1 IGAF NC1=N[C@@]2(c3cc(CNCC(F)(F)F)c(F)cc3F)CO[C@@H](CF)C[C@H]2CS1 147752806 KXRWMDHPUURSND-USBNGQNGSA-N 427.414 3.248 0 1 IGAF in-vitro COc1ccc(NS(C)(=O)=O)cc1-c1ccc([C@H]2C[C@@H]2NC2CCC(N)CC2)cc1 150138119 IJWYHMIMXOCAJF-WJTCQHJGSA-N 429.586 3.449 0 1 IGAF O=C(NC[C@H]1CCC2(CCNCC2)O1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167001325 MKLUAVLESOMDFQ-JOCHJYFZSA-N 434.540 3.265 0 1 IGAF CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@@H]1c1cccnc1OCCO 169695483 MPJILDFSNYSRNN-NHCUHLMSSA-N 448.475 3.211 0 1 IGAF Cc1cnc(C(=O)N2C[C@H]3C[C@H](Oc4ccc(C(F)(F)F)cn4)[C@H]2C3)c(-n2nccn2)c1 261146765 OAQRBSBYWFGTPG-UNEWFSDZSA-N 444.417 3.067 0 1 IGAF O=C(N[C@H]1[C@@H]2CNC[C@@H]21)c1cnc(Oc2ccc3c(c2)CC[C@H](c2cccnc2)O3)s1 261160573 QUDADUNQTFOUAW-FKPGQJDZSA-N 434.521 3.344 0 1 IGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc3c(cc2[nH]1)OCCCO3 586938499 WBLQYIZZJTZQNG-HNNXBMFYSA-N 433.555 3.497 0 1 IGAF COC(=O)c1cc(Cl)c2[nH]c(CCC(=O)Nc3nnc(-c4ccncc4)s3)nc2c1 587023769 IDTMJJKGFCUYDZ-UHFFFAOYSA-N 442.888 3.488 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cn1nnn(-c3ccccc3Cl)c1=O)(C(C)(C)C)O2 587376504 DHOAWDRBJHQKMO-JOCHJYFZSA-N 441.919 3.423 0 1 IGAF CCOC(=O)c1[nH]c(C)c(C(=O)c2c(C(=O)OCC)[nH]c3c(C(=O)O)cccc23)c1C 587638690 ISGRMKGXPZDSMJ-UHFFFAOYSA-N 426.425 3.395 0 1 IGAF N[C@@H](Cc1ccccc1)C(=O)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 1772571603 YHFCDSXXSMJOEC-QFIPXVFZSA-N 446.482 3.200 0 1 IGAF CCn1c(C2(O)c3ccccc3-c3ccccc32)nc2ccc(C(=O)NC[C@H](C)O)cc21 1857549758 XHGPNWWSGLTRPE-INIZCTEOSA-N 427.504 3.431 0 1 IGAF O=C(c1ncco1)N1CCN([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC1 1857647384 NEPYRLZOQLRDHB-IBGZPJMESA-N 432.480 3.030 0 1 IGAF CCCC(=O)O[C@H]1[C@H]2c3cc4c(cc3CN3CCC(=C[C@H]1OC(=O)CCC)[C@H]23)OCO4 2356333899 XFPKJBMPXIIKGU-OYYPCOLYSA-N 427.497 3.451 0 1 IGAF COc1ccccc1CNC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(C)=O)[C@H](C)[C@@H]2[C@@H]1O 2356369502 XLWLVPAMEBAFSB-WDUYVSROSA-N 430.589 3.276 0 1 IGAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CC[C@@H](CO)CN2 2356737082 RFENQHCDYDELRG-HPCUFLMNSA-N 445.644 3.230 0 1 IGAF Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)N3CCN(C4=CC=C[CH]N4)CC3)cc12 2356833321 NWROQGGLXJZRJH-UHFFFAOYSA-N 436.532 3.128 0 1 IGAF O=C(Nc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@@H]12 2356835020 KNGPPFRXKBGDDG-BQJUDKOJSA-N 436.443 3.478 0 1 IGAF O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccc(Br)cc1F 12635267 DDLPDIYWVWCNHP-ORMMXULVSA-N 426.282 3.401 0 1 IGAF COc1ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)[C@@H](C)c2ccccc2)C3)cc1C 13446743 FBFULINYKCLAMW-JTSKRJEESA-N 433.508 3.390 0 1 IGAF O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccc(Cl)cc1)c1ccc(Cl)cc1 72138307 RRCKIBSVEJRPCT-UHFFFAOYSA-N 447.366 3.152 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C 82197087 WBGCHXONIGVKOA-HAQWMAIASA-N 430.589 3.095 0 1 IGAF COc1cc(CNc2nc(N3CCC(N4CCCC4)CC3)ncc2C)cc(OC)c1OC 82204374 PQMRIQISARBFPJ-UHFFFAOYSA-N 441.576 3.488 0 1 IGAF O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccc(F)c1 95894691 IRGPAELJLNMAJN-SONWIMMPSA-N 430.479 3.384 0 1 IGAF Cc1cccc(S(=O)(=O)NCCCCN2CCN(c3noc4ccccc34)CC2)c1 114602970 UGKBAMPEXOAPEC-UHFFFAOYSA-N 428.558 3.017 0 1 IGAF CS(=O)(=O)N(Cc1ccco1)C[C@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 148608437 KLVMAYKLBBROIZ-INIZCTEOSA-N 434.464 3.488 0 1 IGAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(O)(Cc2ccc(Cl)cc2Cl)CC1 207267089 IIUVYAXZESRGHQ-UHFFFAOYSA-N 432.373 3.102 0 1 IGAF Cc1nn(C)c(SCC(=O)O)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612965 LVCBFQCSKMJYQA-FXAWDEMLSA-N 426.450 3.314 0 1 IGAF C[C@H](NC(=O)[C@@H]1C[C@@H]2C(=O)CC(C)(C)C[C@H]2NC1=O)c1noc(-c2ccc(Cl)cc2)n1 618014599 HOMMZIGEHJGCKC-VCOSZWKGSA-N 444.919 3.077 0 1 IGAF COC(=O)[C@]12C(=O)[C@@H](C)C(=O)[C@@]1(C)C(C)=C[C@@H]1[C@@]3(CO)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 2356317605 FPTYSBCRIPGIMB-ZMRWFHHVSA-N 446.584 3.092 0 1 IGAF CC1(C)C=Cc2cc3c4c([nH]c3cc2O1)C(C)(C)[C@H]1C[C@@]23CCCN2C(=O)[C@@]1(C4)NC3=O 2356326256 VQSGPNFTKPKYOS-BAEUJYSMSA-N 431.536 3.436 0 1 IGAF CC(=O)c1ccccc1C(=O)N1CCC[C@@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 14958092 ZHXQDJKGZFPIEY-NRFANRHFSA-N 448.567 3.265 0 3 IGAF COC(=O)C1=C(c2ccc(OC)c(OC)c2)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccco1 36388562 ASRFTFPMLPWDII-MAUKXSAKSA-N 426.469 3.370 0 3 IGAF CCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC1(CCN(C(C)=O)CC1)O2 2491672 PXDYJZAMODRRFS-NRFANRHFSA-N 431.577 3.047 0 1 IGAF COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@H]1C(=O)N1CCOCC1 4051910 BMCBRDTXCAKFJW-QUCCMNQESA-N 445.313 3.408 0 1 IGAF O=C1c2ccccc2C(=O)N1C[C@H]1C[C@@H]1CN1CCN(c2nsc3ccccc23)CC1 12356418 UGMOAPLNQIPTAB-IAGOWNOFSA-N 432.549 3.351 0 1 IGAF CCOCCCN1CC(=O)N2[C@@H](c3ccccc3OC)c3[nH]c4ccccc4c3C[C@@H]2C1=O 15956478 LKBZHSFWIXKMPU-BWKNWUBXSA-N 447.535 3.288 0 1 IGAF biogenic COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C(=O)C2CC2)C1 95796034 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COC(=O)c1ccnc2[nH]c([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12 586960072 MUJQCTXDCQMJTJ-JLSDUUJJSA-N 440.525 3.439 0 1 IGAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)cc(OC)c1OCC(=O)O)[C@@H](C2)C3=O 587411896 GBYWNCBRFDQJOZ-HXPMCKFVSA-N 449.253 3.418 0 1 IGAF CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437976 MMIGCNMFWHVUHE-LNPFQXMTSA-N 431.485 3.002 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(C(O)O)N1 587676209 CWOFVDNDPBFOPE-XYZCENFISA-N 445.126 3.439 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ncc(Br)cc12 587684842 PXYJQHZCYMPDQS-QZTNRIJFSA-N 441.098 3.476 0 1 IGAF C=CN1CC[C@H]([C@]2(c3cnccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O 587768822 MSWCBMQEHZTNRS-TVSHIAKJSA-N 431.309 3.148 0 1 IGAF CCOC(=O)[C@H](F)[C@]1(C)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1N 963138773 JHTPANJPXANBLW-REWPJTCUSA-N 430.476 3.101 0 1 IGAF CC1=C([C@@]2(C)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)C(=O)N[C@@]1(C)O 963840991 FBDOFPYUKLROPK-VILGCMSXSA-N 444.528 3.002 0 1 IGAF C[C@]1(Nc2cnc(C(F)(F)F)cn2)CCC[C@@H]1NC(=O)c1ncccc1-n1cccn1 1772624347 CCAVTDDNMFBEQV-LIRRHRJNSA-N 431.422 3.229 0 1 IGAF COc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@@H](NC[C@@H]1CCCO1)C3 1772624907 DMYGPTJBGBLJHL-SJORKVTESA-N 425.554 3.141 0 1 IGAF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(-n3cccc3)cc2)[C@H]1NC(C)=O 1857629587 JLZZEBCJTSFNQJ-RBZQAINGSA-N 439.556 3.429 0 1 IGAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CCC(=CC(=O)N(C)CCO)[C@H](C)[C@@H]3[C@H](O)C[C@H]2C1(C)C 2356505037 OYEDMBPKXCONKF-FNEMCDDLSA-N 435.605 3.165 0 1 IGAF Cc1nnc(N2CCN(C(=O)NCc3ccco3)CC2)c2nn(-c3ccccc3)c(C)c12 9642436 WVHIULACXLVDHF-UHFFFAOYSA-N 431.500 3.057 0 1 IGAF COc1ccc(S(=O)(=O)NCc2nc(N3CCCC3)c3cccc(C)c3n2)cc1OC 12132453 UQXAKPDARXTISR-UHFFFAOYSA-N 442.541 3.034 0 1 IGAF C[C@@H]1CC(=O)c2c(N3CCNCC3)cccc2N1S(=O)(=O)c1ccc2ccccc2c1 66058864 GRRMTRMNWWFPBH-QGZVFWFLSA-N 435.549 3.420 0 1 IGAF Cc1nc(-c2ccc3oc4cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)ccc4c3c2)no1 73240663 AJPXKPDDERRJRR-SFHVURJKSA-N 429.454 3.332 0 1 IGAF COc1cc2nc(N3CCc4ccccc4C3)nc(N[C@@H]3CCCCNC3=O)c2cc1OC 82130269 UKCFTXANVZCRFT-LJQANCHMSA-N 447.539 3.290 0 1 IGAF COc1cc(N2CCNC(=O)C2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1 84617330 XAHWWBWPTULGRD-UHFFFAOYSA-N 439.541 3.039 0 1 IGAF O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1cscn1 84671818 VYEODKODWNEGOD-FQEVSTJZSA-N 431.521 3.233 0 1 IGAF CCCC(=O)N1CCC2(CC1)CN(C(=O)CC)[C@@H](CO)c1c2c2ccc(OC)cc2n1C 95868550 ZSNMNHIZRBIHOH-FQEVSTJZSA-N 441.572 3.133 0 1 IGAF CC(=O)Oc1ccc(/C=C/S(=O)(=O)NCCc2ccc(Cl)cc2)cc1OC(C)=O 96917414 LOAZHVYIHCTNOE-ZRDIBKRKSA-N 437.901 3.323 0 1 IGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc5ccccc5c4-n4ccnn4)C[C@@H]3C2)n1 167132474 FMMDXCLXFKEZTO-WOJBJXKFSA-N 439.523 3.036 0 1 IGAF O=c1nc(OC[C@@H]2CCCO2)cc2n1CCc1cc(OCCOc3ccccc3)ccc1-2 209703212 MJRBGFMSZOVKPD-NRFANRHFSA-N 434.492 3.482 0 1 IGAF Cc1cnc(NS(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)cn1 224743210 ZUULAURIMCZNLS-UHFFFAOYSA-N 436.472 3.431 0 1 IGAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@]23OC(C)=O)ccc1O 257803304 ZVILPMKYRJCFAE-FBAPQVDSSA-N 430.453 3.179 0 1 IGAF endogenous,in-man Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c1=O)O2 587395310 PQIBDUZPVBPGKE-GQIGUUNPSA-N 448.523 3.214 0 1 IGAF COC(=O)c1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc(S(C)(=O)=O)cc12 587651114 KYPNLEODMRWHDU-ZDUSSCGKSA-N 436.530 3.473 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ncnc4c3cnn4C)CC2)N1 587765464 CIRBYSPFXVRKPA-GFCCVEGCSA-N 445.340 3.295 0 1 IGAF COc1ccc(-c2cc(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)on2)cc1OC 621431175 YRAFUMJWJGJRQY-HXUWFJFHSA-N 437.496 3.162 0 1 IGAF Nc1ccc2c(c1)Cc1cc(NC(=O)Nc3cc(N4CCCCC4)nc(N)[n+]3[O-])ccc1-2 653704167 FLMOMRLVPYSISM-UHFFFAOYSA-N 431.500 3.085 0 1 IGAF Cc1cccc(C(=O)N[C@H]2C[C@@H](n3cnc4c(NCc5cccc(F)c5)ncnc43)C2)n1 1772620119 CSRROEXIZXVOPU-HDICACEKSA-N 431.475 3.414 0 1 IGAF Cc1cccc2c(O)nc(N3CCC4(CC3)CN(CCO)c3cc(F)cc(F)c34)nc12 1857608023 BSFWBIWYONWUDM-UHFFFAOYSA-N 426.467 3.273 0 1 IGAF COc1ccc(-c2ccc3ncnc(N[C@@H]4CCN(C(=O)C5CCOCC5)C4)c3c2)cn1 1857642839 LHHCESBQQZZQLT-LJQANCHMSA-N 433.512 3.140 0 1 IGAF c1ccc2c(c1)CN[C@@H](CN(CCCCN1CCNCC1)[C@H]1CCCc3cccnc31)C2 1857749526 ZUORIWBNCYXTEG-FTJBHMTQSA-N 433.644 3.161 0 1 IGAF N=C(N)NCC(=CC(=O)O)[C@@H](CCCCCCCCCCCCCO)N=c1cc[cH-][nH]1 2356311718 BKCRQYHWNMFRGS-HXUWFJFHSA-N 434.605 3.170 0 1 IGAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccc3)[C@H](O)[C@H]2[C@H]1C 2356462225 KBNYXLDRYGCDAI-FEOBDIMTSA-N 429.605 3.450 0 1 IGAF COc1cc([C@H](CC(=O)O)[C@@H]2N(O)C(C)=C(C)N2Cc2ccc3c(c2)OCO3)ccc1O 2356844276 NTEBQTGTBKXSSH-SBUREZEXSA-N 442.468 3.472 0 1 IGAF COc1ccc(-n2c(SCC(=O)NCCCSC)nnc2-c2ccncc2)cc1 203475581 FCQLPAUYSRBMEY-UHFFFAOYSA-N 429.571 3.299 0 3 IGAF CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@@H](O)CC)c1 4040747 GEBDCBMLGVPXIR-RRPUWOKSSA-N 425.529 3.130 0 1 IGAF Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@H](C)O3)O2)c(=O)[nH]c1=O 26731829 VNNRNHSLBICHPY-SDXIMZSMSA-N 440.776 3.247 0 1 IGAF COC1(c2cc(S(=O)(=O)c3ccc4c(ccc(=O)n4C)c3)ccc2C)CCOCC1 27310592 JCLJFYNJMKDEKD-UHFFFAOYSA-N 427.522 3.332 0 1 IGAF COc1cc2nc(N3CCC(OC[C@](C)(O)c4ccccc4)CC3)nc(N)c2cc1OC 27559890 CTEBAMPXSHHIPC-DEOSSOPVSA-N 438.528 3.122 0 1 IGAF COc1ncc(-c2cccnc2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1 95563944 KXPIWOKFJNDYEG-UHFFFAOYSA-N 447.417 3.246 0 1 IGAF COC(=O)Nc1nc2cc([C@@]3(O)c4ccccc4C(=O)N3c3cccc(C#N)c3)ccc2[nH]1 142672780 MVLWJRZZBIKEEM-XMMPIXPASA-N 439.431 3.467 0 1 IGAF N=C(N)c1ccc([C@@H]2[C@H]3CCC[C@@H]3[C@@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@@H]32)cc1 169687039 QJGQVLOGIIJMMJ-RGBOINFLSA-N 431.492 3.014 0 1 IGAF COC(=O)c1ccc(-n2c(O)cc(N(C)CCc3ccc(OC)c(OC)c3)c2O)cc1 169691763 ZCRSHRLAHOJXHM-UHFFFAOYSA-N 426.469 3.371 0 1 IGAF OCCN1CCN(CCCN2c3ccccc3S[C@@H]3C=CC(C(F)(F)F)=C[C@H]32)CC1 253650593 FJTKBSUCKQKZQT-TZIWHRDSSA-N 439.547 3.394 0 1 IGAF Cc1ncccc1Nc1ncnc(OC2[C@H]3COC[C@H]2CN(C(=O)OC(C)C)C3)c1C 473152929 XJWSKHPCAXUEOL-IAGOWNOFSA-N 427.505 3.103 0 1 IGAF COc1ccc(S(=O)(=O)Cc2nc3ccc(I)cc3[nH]2)cc1 586920293 HGLWFUMDJDHCBB-UHFFFAOYSA-N 428.251 3.150 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCN(C)CC1)(c1ccc(Br)cc1)O2 587370274 DITXQMGUCNYPON-QFIPXVFZSA-N 444.373 3.448 0 1 IGAF COCCN1C(=O)[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc21 587416799 FSGIIIIBGZIVTK-QVKFZJNVSA-N 444.281 3.094 0 1 IGAF Cc1c(NC(=S)n2ncc3ccc(Cl)cc3c2=O)c(=O)n(-c2ccccc2)n1C 587653993 GJDIIWDRMJWYGJ-UHFFFAOYSA-N 425.901 3.093 0 1 IGAF COC(=O)[C@@]1(CC(=O)c2cccn2C)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640359 OFBLTQLKWOCQCF-WXVAWEFUSA-N 443.547 3.413 0 1 IGAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)Cc3sc(NC(=O)C4CC4)nc3[C@H](C)[C@@H]2[C@@H]1O 2356311198 TZORYCDCGGFZOH-NJNQUSOGSA-N 431.602 3.459 0 1 IGAF O=C(O)CCc1cc(CCNS(=O)(=O)c2ccccc2)cc(Oc2cccnc2)c1 605762 YGFCJXBEWFGZOY-UHFFFAOYSA-N 426.494 3.412 0 1 IGAF Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1c(Cl)cccc1Cl 1543779 AXRTZAZDPVBRMQ-UHFFFAOYSA-N 435.263 3.436 0 1 IGAF COCCCN[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N3CCCCC3)cc21 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431.946 3.172 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@@H]4NC(C(=O)OCC(C)C)=C(C)[C@H]4C[C@H]4[C@@H](C2)N(C)CC[C@]314 253671785 LCIWAGQFSNMYED-XEBMCCLKSA-N 438.568 3.035 0 1 IGAF CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 253701712 YEXQQQZDCCDPJD-JFHUYLGKSA-N 431.529 3.200 0 1 IGAF CCN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1)c1ccccc1 299806610 DAZCIYMYHXRAFE-FOZARLDVSA-N 441.531 3.411 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(F)c(C)c3[nH]2)C(C)C)cc1 586933695 WKOLZJUXMIZQHC-LJQANCHMSA-N 432.521 3.322 0 1 IGAF O=C(c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1)N1CCN(CCO)CC1 587086168 VMFQBKYZNKWVFC-UHFFFAOYSA-N 435.915 3.182 0 1 IGAF COC(=O)c1ccnc2[nH]c(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)nc12 587167282 KZGOFHIPTZHWFU-UHFFFAOYSA-N 432.458 3.413 0 1 IGAF NC(=O)c1c(O)ncc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337467 POUHEGSNBPSDED-GBXCKJPGSA-N 434.423 3.322 0 1 IGAF COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cnnc(O)c2[nH]1 587788365 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Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)C(=O)NCCC2 115008738 XQCGDFVZBIKZFR-UHFFFAOYSA-N 432.455 3.118 0 1 IGAF Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC[C@](C)(N)CC1 169699459 GONYHJQSOXLCTM-NRFANRHFSA-N 443.552 3.225 0 1 IGAF CCN(Cc1ccc(F)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 204960848 XAXOLDXJQSAOOY-UHFFFAOYSA-N 444.532 3.151 0 1 IGAF CC(=O)O[C@@H]1C[C@@]2(C)C(=C[C@H]1O)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 255285329 YUMMGXLKDXXRGS-JWFPPJEZSA-N 430.541 3.066 0 1 IGAF COc1cccc(CN2C[C@@]34C[C@H](c5ccc(C(C)=O)cc5)[C@@H](C[C@@H]3S2(=O)=O)O4)c1 299847662 ADNNVBDJEBAWRS-LUKWVAJMSA-N 427.522 3.127 0 1 IGAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@H](C)CN(C)C 299883822 SATUJTNFSKEHMZ-BSDZUQITSA-N 438.572 3.309 0 1 IGAF Cn1ccc(=Nc2ccc(C(=O)c3ccc(N(CCO)CCO)cc3)cc2)c2ccccc21 377406478 VEUSPIFLQCUADK-UHFFFAOYSA-N 441.531 3.433 0 1 IGAF O=S(=O)(Cc1nc2cc3nc(O)[nH]c3cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586951464 VWFQFNSLROSANV-UHFFFAOYSA-N 426.502 3.077 0 1 IGAF 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439.423 3.470 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2 587481333 BPLPJVNCLDDSTN-BAJOOJPFSA-N 434.485 3.078 0 1 IGAF O=C1C[C@H](c2c(N3CCOCC3)nc3ccccn3c2=O)Oc2c1ccc1c2CCCC1 587523218 GXSHRTOOILSHFV-HXUWFJFHSA-N 431.492 3.116 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 587794413 MWAPOFGSASXGDZ-CFMSYZGJSA-N 433.277 3.335 0 1 IGAF COC(=O)C[C@]1(c2ccncc2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177489 CZHAXLKMXYNTHL-FZKQIMNGSA-N 428.794 3.159 0 1 IGAF CCOC(=O)[C@H](C)[C@@]1(CC(C)=O)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963192126 YKNPNNMUHFGXDE-OGJWQKAUSA-N 435.826 3.331 0 1 IGAF O=C1[C@@H](Cc2ccc(F)cc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 1772600200 QNQUEHVUHKTLAQ-YXHRPQLISA-N 449.522 3.133 0 1 IGAF COc1cccc(NC(=O)NC[C@@H]2O[C@H](Cc3cc(-c4ccccn4)on3)CC[C@@H]2O)c1 2356288288 ZXNXLISHQPBABM-VCOUNFBDSA-N 438.484 3.018 0 1 IGAF CCCCC(=O)Nc1ccc2cc(C(=O)OC)c(ON3C(=O)c4ccccc4C3=O)nc2n1 13223283 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IGAF CS(=O)(=O)c1cccc(-c2cccn3nc(Nc4cccc(N5CCOCC5)c4)nc23)c1 148217203 GUQQEQQDSIZYCI-UHFFFAOYSA-N 449.536 3.380 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@H](O)[C@@](/C=C/Cc4ccccc4)(CO)C[C@@H]4[C@H](C2)N(C)CC[C@]341 195273863 ZWVDVCFMIUCNEM-DOBGUGMISA-N 447.575 3.113 0 1 IGAF COc1cc(/C=C2\C(=O)N3CCC[C@H]3C(=O)N2OC2CCCCC2)cc(OC)c1OC 199490469 ALTADZOADMRNHI-BOFQVRIASA-N 430.501 3.151 0 1 IGAF CCNC(=O)Oc1ccc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)cc1OC 210716662 AJEYJHFVPGKYKT-ZWKOTPCHSA-N 443.496 3.395 0 1 IGAF CCO[C@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)[C@H](O)C(=O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]23C)CO1 238767648 KOGYNKSBLTVNPI-NNCJSSIQSA-N 438.561 3.011 0 1 IGAF COC(=O)[C@]1(Cc2ccccc2OC)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 299828036 GQBLAYNHUZMNDR-FYYLOGMGSA-N 430.453 3.111 0 1 IGAF CCCCS(=O)(=O)N[C@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(C)C 586932509 GLGDNYMHRWSAHZ-HNNXBMFYSA-N 432.550 3.039 0 1 IGAF CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4c(C)cc(Cl)cc4[nH]3)cc2)CC1 586956736 UFGPCLRYZGWSHA-UHFFFAOYSA-N 432.933 3.045 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)s1)C(O)O 587612912 LKWJBQPZDQJCQX-KXBFYZLASA-N 449.278 3.384 0 1 IGAF CNS(=O)(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587842686 WLFMJVUCZIOIQD-VOJFVSQTSA-N 427.339 3.294 0 1 IGAF NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c(C3CCNCC3)cc(O)nc12 1772649166 YBKDHDYHAPRFJI-UHFFFAOYSA-N 429.480 3.460 0 1 IGAF CC(C)Oc1ccc(N2CCC(c3[nH]nc4c3[C@](O)(C(F)(F)F)CC(=O)N4)CC2)cn1 1857552493 DSNHSSOPZNFIBV-IBGZPJMESA-N 439.438 3.068 0 1 IGAF O=C(NCc1ncccc1F)c1cnn(C2CCN(CCc3nc4ccccc4[nH]3)CC2)c1 1857567643 HYUGNWBKOFVGEL-UHFFFAOYSA-N 447.518 3.103 0 1 IGAF CS(=O)(=O)c1ccc(-c2c[nH]c3ncc(/C=C/C(=O)NCc4ccncc4)cc23)cc1 1857598977 TXSRBXLJZVFELS-FARCUNLSSA-N 432.505 3.358 0 1 IGAF O=C1[C@H]2C[C@@H](CN2Cc2ccc3c(c2)OCO3)Oc2ccccc2N1Cc1cccnc1 2356300512 XCNVOAXNDHLMRK-PZJWPPBQSA-N 429.476 3.379 0 1 IGAF CN(Cc1ccccc1)Cc1cn(C[C@H]2C[C@H]3CCN2C[C@H]3C(=O)Nc2ccccc2)nn1 2356307715 MWJQNZUMAHMKEY-NQHRYMMQSA-N 444.583 3.259 0 1 IGAF COc1ccc(CCN2C(=O)COc3ccccc3[C@@H]2C(=O)NC(C)(C)C)cc1OC 199208232 DGFXOLOXUGQQDM-JOCHJYFZSA-N 426.513 3.123 0 3 IGAF COc1ccc(-c2ccc3c(c2)C(=O)N2CCN(C(=O)C4CCCC4)C[C@H]2C(=O)N3)cc1 4236018 CNKJGJGMCFKBIM-QFIPXVFZSA-N 433.508 3.158 0 1 IGAF biogenic COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)C(=O)C[C@@H]2CO)cc(OC)c1OC 13309169 QUKCZKNCWCPIDQ-BFUOFWGJSA-N 432.469 3.065 0 1 IGAF biogenic COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 14437756 VUNCHONBJWJYID-DLBZAZTESA-N 446.496 3.313 0 1 IGAF endogenous,in-man CCOC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(OC)c(OC(C)=O)c(OC)c1 27631644 VROWJYQEPHGYOE-UHFFFAOYSA-N 447.440 3.075 0 1 IGAF CON(C=S)C[C@H]1CN(c2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)C(=O)O1 28365291 AMDVLYPOHLXWRW-IBGZPJMESA-N 444.532 3.298 0 1 IGAF CCOC(=O)c1cc2cc(OCCCN3CCN(C(=O)c4ccco4)CC3)ccc2[nH]1 45318243 NKSBRFAIXQTEOV-UHFFFAOYSA-N 425.485 3.165 0 1 IGAF COc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5ccccc5nn4)CC3)c2c1 45337545 YOMVNIMAMBAGEN-SANMLTNESA-N 443.551 3.474 0 1 IGAF O=C([C@H]1CN(S(=O)(=O)c2cccnc2)CC12CCCCC2)N1CCc2ccccc2C1 65259847 HWDBWYJZBGMWKN-JOCHJYFZSA-N 439.581 3.238 0 1 IGAF O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H](C(=O)N2CCCNCC2)C1 82081376 UBISAKIRDMBTKP-INIZCTEOSA-N 432.977 3.138 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C 95679957 RQRIRLWLPMSYRH-DGGJZMOXSA-N 443.588 3.251 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1 95893574 PJZPDGURIMLNLR-AKFKNWHVSA-N 446.482 3.171 0 1 IGAF CCCc1sc(-c2ccc(OC)c(OCCO)c2)nc1CSc1nc(N)cc(N)n1 96283896 IFMIBDOPTYIDDA-UHFFFAOYSA-N 447.586 3.389 0 1 IGAF in-vitro COCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(C)cc1)C1=C(O)c3ccccc3C1=N2 103529262 MPAGFVQZDPOUIC-SFHVURJKSA-N 429.476 3.431 0 1 IGAF Cn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3ccc(F)cc3)cc12 169350950 UZYIZTJCLHAUKM-UHFFFAOYSA-N 448.479 3.307 0 1 IGAF CO[C@@]12C=C[C@]3([C@H]4[C@@H]1CC(C)(C)[C@@H]4O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 169692708 BANTYRLFVMBWRP-BMRZRWPJSA-N 449.591 3.410 0 1 IGAF O=c1[nH]c(Cc2ccccc2-c2noc(C(F)(F)F)n2)nc2c1cnn2C1CCOCC1 169699898 AKDYBOMWXXWODJ-UHFFFAOYSA-N 446.389 3.131 0 1 IGAF Cn1cc(Nc2nccc(-c3ccn([C@H](CO)c4ccc(Cl)c(F)c4)c(=O)c3)n2)cn1 215932950 TYDMCOHVPUYYGK-LJQANCHMSA-N 440.866 3.157 0 1 IGAF Cc1ccc(NS(C)(=O)=O)c(C(=O)N2CCCC[C@H]2c2cc3nc(C)cc(C)n3n2)c1 220642738 AODVUVCFKLSHRR-FQEVSTJZSA-N 441.557 3.393 0 1 IGAF CC[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1cc(N2CCC(O)CC2)nc2ccc(OC)cc12 299859046 HHNCOZMCXMDPQN-LDMDHORASA-N 425.573 3.358 0 1 IGAF Cn1cnc(I)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570642 OVLMETSOQMHHNE-DYVFJYSZSA-N 448.216 3.433 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2c(=O)oc(=O)c3ccccc32)N1 587769531 NUAPGIFZFUBROU-PRWKNARSSA-N 433.277 3.306 0 1 IGAF COC(=O)c1ccc2c(c1)[C@@]1(CCO2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962693567 APDYGLRLNDGYSH-JXFKEZNVSA-N 439.361 3.256 0 1 IGAF COCc1cc(O)nc(SC[C@]2(C(C)(C)C)N[C@H](C(=O)O)Cc3cc(F)ccc32)n1 962908239 UOFFUBNCCAXSMJ-KKSFZXQISA-N 435.521 3.100 0 1 IGAF O=C(N[C@@H]1CCN2C(=O)c3cc(C=Cc4ccc(O)cc4)ccc3NC(=O)[C@H]12)C1CCCC1 2356846128 OKKIVLJVJPFIJI-PKTZIBPZSA-N 445.519 3.404 0 1 IGAF COc1cccc(N(C(=O)[C@@H]2CSC(=O)C2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)c1 13150663 FVCCKRYWICTWQP-OXJNMPFZSA-N 441.553 3.359 0 3 IGAF CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2ccco2)C(=O)N1CCC1=CCCCC1 61920949 UBDPHTIJLJVAEF-LJQANCHMSA-N 427.545 3.387 0 3 IGAF Cc1ccc(CN2C(=O)[C@H](Cc3ccccc3)Nc3ncnc(N4CCOCC4)c32)cc1 72137570 RFQGXPVPJLAWGY-NRFANRHFSA-N 429.524 3.192 0 3 IGAF COC(=O)c1cc2c(cc1Cl)Sc1nnc(Nc3ccc(C)cc3)n1S2(=O)=O 1663285 BPNWIHSWBIGWGL-UHFFFAOYSA-N 436.902 3.472 0 1 IGAF C[C@@H](NC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1)[C@@H](O)c1ccccc1 4381381 RTRJHCUKMFRIHX-CMCISMSHSA-N 448.519 3.318 0 1 IGAF CCC(CC)O[C@@H]1CC(C(=O)O)=C[C@H](n2cc(CCc3ccccc3)nn2)[C@H]1NC(C)=O 64527983 OTTYKOWFBYUNHY-YTFSRNRJSA-N 440.544 3.098 0 1 IGAF CCCCOC(=O)COC(=O)[C@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085596 PXOKDGHPAAMLAR-QGZVFWFLSA-N 431.514 3.378 0 1 IGAF O=C(O)c1cc(CN2CCN(c3ccc(Br)cc3)CC2)c2ccccn2c1=O 84728960 OVCSQIAOKIOEKZ-UHFFFAOYSA-N 442.313 3.082 0 1 IGAF O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO 95795741 WKRXUPRECLBEMI-CUYJMHBOSA-N 448.469 3.443 0 1 IGAF Cc1nc(Cl)nc(NC2=NCC3=C2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)n1 96172417 NUQKRVBDMGUCCC-PBHICJAKSA-N 437.935 3.314 0 1 IGAF CN(C)S(=O)(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1 100636736 SDPFDORDTANJEB-KDURUIRLSA-N 434.606 3.038 0 1 IGAF CO[C@]12CC[C@@]3(C[C@@H]1[C@@](C)(O)C1CCC1)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 101818327 ZDMXUHDRYJCJQU-NVDLQLNVSA-N 425.569 3.388 0 1 IGAF Cc1nn(C2CCOCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4CCC(O)CC4)CC3)cc12 114710587 NLOVQPSKQWMMJU-CALCHBBNSA-N 446.617 3.255 0 1 IGAF COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@]13[C@H]1CO[C@H]2[C@H]13 194898911 UKKISEARMRFGRE-AYNHSHLUSA-N 426.465 3.321 0 1 IGAF O=C(c1ccccc1-c1ncccn1)N1CCO[C@@H]1Cn1ccc(-c2ccc(F)cn2)n1 210584483 HLSJJFCXIUGENJ-OAQYLSRUSA-N 430.443 3.040 0 1 IGAF Cc1nn(-c2cncn2C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220321981 JSJHNZMAOMLIME-FQEVSTJZSA-N 448.914 3.325 0 1 IGAF CC(C)[C@@](C)(O)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 586890549 QPSIBTRWWYFGDH-AREMUKBSSA-N 449.599 3.469 0 1 IGAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@H](C)O)cc1 586936270 IIMMMVZVRNKIGW-FVMDXXJSSA-N 430.313 3.279 0 1 IGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cnc2[nH]1 586938444 VTWGXSHBEARDCG-ZDUSSCGKSA-N 441.376 3.493 0 1 IGAF O=S(=O)(NCc1nc2cc(Br)c(F)cc2[nH]1)c1ccc(F)c(F)c1F 587134075 KUBTUXCQFJQSQG-UHFFFAOYSA-N 438.200 3.360 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1SCC2(CO)CO 587859466 WYCDJIUZDIEWEA-MPBGBICISA-N 438.362 3.443 0 1 IGAF CCOC(=O)C1=CC[C@@H](c2ccco2)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C(=O)OCC 36387619 LBFRMZFYOCPLAM-AZUAARDMSA-N 447.509 3.145 0 3 IGAF O=C(CN1CCC(NC(=O)Nc2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCCO2 203475295 RHRQFXGNEJYNRL-UHFFFAOYSA-N 444.919 3.336 0 3 IGAF Cc1cc(OCC2CCN(C(=N)N)CC2)cc(OS(=O)(=O)c2ccccc2Cl)c1 1893773 CYPTUCSRAKRHJR-UHFFFAOYSA-N 437.949 3.400 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)(CCCc4ccccc4)C[C@@H]4[C@H](C2)N(C)CC[C@]341 26004023 HIHIEFXWVUQDNZ-LREBAEHXSA-N 449.591 3.337 0 1 IGAF O=C1N=C(O)N(Cc2ccccc2F)C12CCN(Cc1ccc(-n3ccnc3)cc1)CC2 28704461 UZBSSSZMVKCYFL-UHFFFAOYSA-N 433.487 3.302 0 1 IGAF CC[C@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccccc1 28895027 NRABXXLHOILLKP-MJGOQNOKSA-N 443.931 3.327 0 1 IGAF CS(=O)(=O)c1ccc(-c2noc([C@@H](CCO)[C@H](N)C(F)=C3CCCC3)n2)c(Cl)c1 29126622 LXJJZJQWGZOQFP-YOEHRIQHSA-N 443.928 3.384 0 1 IGAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1ccc2ccccc2c1 58583224 NJVHZXTYTSXIDW-NRFANRHFSA-N 449.459 3.264 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)NC[C@@H]1C 95691995 WWIWLTDSUPVNED-HOIFWPIMSA-N 431.577 3.299 0 1 IGAF O=S(=O)(NC[C@@H]1CC[C@@H]2[C@@H](CN2Cc2ccccc2C(F)(F)F)O1)c1ccccc1 95797686 LQUJMUOWYDFXMD-PWIZWCRZSA-N 440.487 3.416 0 1 IGAF O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1sc(OC2CCOCC2)nc1[C@H]1CCCO1 103246844 PKFRAMMZHQBMFC-QQYCRPAMSA-N 448.585 3.222 0 1 IGAF Cc1cc2c(cc1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1)C(=O)NC(C)(C)C(=O)N2 103298234 HCLJUTUEYQNOIJ-UHFFFAOYSA-N 441.431 3.275 0 1 IGAF O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1sc(OC2CCOCC2)nc1[C@H]1CCCO1 169311384 PKFRAMMZHQBMFC-BVZZDVDNSA-N 448.585 3.222 0 1 IGAF COC(=O)C1CCN(C(=O)C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC1 587765491 CQKCWHYZSCFVQS-MPBGBICISA-N 441.341 3.139 0 1 IGAF CCOC(=O)[C@]1(c2ccccc2C2OCCCO2)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963613611 VCNBCNRYFSLQCQ-IVCQMTBJSA-N 441.524 3.480 0 1 IGAF CCN1CCCN(c2ncc(-c3ccc4c(N=c5cncc[nH]5)ccnc4c3C)cn2)CC1 1857565290 XRDWAYSYOVQMCP-UHFFFAOYSA-N 440.555 3.488 0 1 IGAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC5(CC4)CNC5)cc3)sc2n1 1857578609 IEUAIIAIXTZDSA-UHFFFAOYSA-N 435.597 3.349 0 1 IGAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1)c1ccc(C(F)(F)F)cc1 2356298531 JLAADIUSTBPTDX-ZHALLVOQSA-N 427.536 3.194 0 1 IGAF CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 4044118 SSPYIAHAWQJJAJ-RBBKRZOGSA-N 440.569 3.035 0 1 IGAF COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2ccc3c(c2)OCO3)CC1 13526341 YVJKQMXANLEZJO-PKNBQFBNSA-N 437.540 3.156 0 1 IGAF C=CC(C)(C)[C@]1(C[C@H]2NC(=O)[C@@H]3CCCN3C2=O)C(=O)Nc2c1ccc1c2C=CC(C)(C)O1 14615682 KNFZHRYXLWKRSU-ZENTWMBTSA-N 449.551 3.152 0 1 IGAF biogenic CCNC[C@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OCC)C1 27519521 IMLLLOYBXZAGOC-CQSZACIVSA-N 431.508 3.398 0 1 IGAF CC1(C)OC[C@@H]([C@H]2O[C@@H](OC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 31872513 BHLPICAGQSYCKG-SVZOTFJBSA-N 432.391 3.259 0 1 IGAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccccc2)C1 82132926 LBBUDSXSTFMMPI-UYAOXDASSA-N 435.572 3.463 0 1 IGAF CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5ccccc5C(N)=O)cc34)cn2)CC1 96274040 CHEJPNPSXLDWLM-UHFFFAOYSA-N 444.495 3.223 0 1 IGAF COc1ncc(Nc2ncc(C(C)(C)O)cc2-c2nc(C)nc(N)n2)cc1C(F)(F)F 113236656 DDKMFSTVGYJPSR-UHFFFAOYSA-N 435.410 3.218 0 1 IGAF COC(=O)Nc1nc2cc([C@]3(O)c4ccccc4C(=O)N3c3cccc(C#N)c3)ccc2[nH]1 142672556 MVLWJRZZBIKEEM-DEOSSOPVSA-N 439.431 3.467 0 1 IGAF O=C(Nc1ccc2c(c1)NC(=O)N(CCO)C2)N[C@@H]1CC(CF)(CF)Oc2ccccc21 143681926 IEOJXZLBONOSGX-GOSISDBHSA-N 446.454 3.350 0 1 IGAF CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)n2)c(Cl)c1 205888881 NCAGWNFSRXNJDL-QGZVFWFLSA-N 443.813 3.116 0 1 IGAF Cc1noc(C)c1-c1ccc2c(c1)[C@](c1ccccc1)(N1CCN(CCCO)CC1)C(=O)N2 219412400 DLCSIWFAQCOJBJ-SANMLTNESA-N 446.551 3.154 0 1 IGAF COC(=O)C[C@@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434561 AQAARYZCXPBGFD-NZEOALSQSA-N 445.512 3.392 0 1 IGAF CCN(CC)CCNC(=O)c1c(C)[nH]c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587439584 WOANBSSBDWTRIX-UZUQRXQVSA-N 425.529 3.200 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC(=O)N(CC)CC)c2ccccc21 587487815 OFONKIQJDBPMJT-VWLOTQADSA-N 436.508 3.420 0 1 IGAF COc1ccc(OCC(=O)N[C@H]2CC[C@H](NC(=O)COc3ccc(Cl)cc3)CC2)cc1 621431409 CQRFKOFNDQKECS-IYARVYRRSA-N 446.931 3.350 0 1 IGAF CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)C1 962635047 OABOZAVUJQXLAT-HFBAOOFYSA-N 430.423 3.482 0 1 IGAF COc1cc(OC)c([C@H]2N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(OC)c1 962646072 WCYBMYQZVDGALU-SGTLLEGYSA-N 427.375 3.299 0 1 IGAF Cc1cccc(F)c1CN1C[C@H](c2cn(CC(=O)N(C)C)c3ncccc23)[C@@H](N(C)C)C1 1772648662 JXXBOBLHYJZFEW-GGAORHGYSA-N 437.563 3.102 0 1 IGAF CC(C)c1nc2[nH]c(=N)[nH]n2c(=O)c1Cc1cc(Br)cc(Br)c1 1857594773 FRAIVWVTZDIGDS-UHFFFAOYSA-N 441.127 3.069 0 1 IGAF CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 61921001 DAWUOTUQHPKEIQ-GOSISDBHSA-N 425.573 3.364 0 3 IGAF Oc1ccc2c3c1O[C@H]1c4nc5ccccc5nc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 13821971 KASNFNADFKDSTB-IFKAHUTRSA-N 427.504 3.035 0 1 IGAF NC(=O)c1ccc2c(c1)nc(Nc1ccc(S(N)(=O)=O)cc1)n2C1(c2ccccc2)CC1 43018347 CXPSJOTWGOTXOU-UHFFFAOYSA-N 447.520 3.064 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@@H](O)[C@](C)(O)[C@@H](C)C2 70455337 PJFZHXYACPYUQW-YHXQQEPPSA-N 432.469 3.093 0 1 IGAF biogenic,in-vitro CC(C)n1cnc2c(NCc3ccc(-c4ccccn4)cc3)nc(NCC[C@H](O)CO)nc21 84742537 RURHVWQWTJYUPS-IBGZPJMESA-N 447.543 3.237 0 1 IGAF CS(=O)(=O)Nc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)C3CC3)c2)c(Cl)c1 96928681 OJIQMVWKCDIBCD-UHFFFAOYSA-N 443.312 3.361 0 1 IGAF CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc(Br)cc2)=N1 101501107 YFNUDWQHKLFPDN-ZBFHGGJFSA-N 439.265 3.405 0 1 IGAF COc1ccccc1N1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc([18F])cc2)CC1 101731874 QVZCWZWXMOQHKL-LVHRIDKPSA-N 446.579 3.200 0 1 IGAF CC(=O)N1CCN(c2cccc(Nc3ncc(F)c(-c4sc(N)nc4C)n3)c2)CC1 103291587 DLENXRXJIRCJJB-UHFFFAOYSA-N 427.509 3.042 0 1 IGAF CNc1nc(Cl)c(Cl)c(N2CCN(CCC3CCC(CCC(N)=O)CC3)CC2)n1 114958915 SBHRHPDWHIVMGX-UHFFFAOYSA-N 443.423 3.409 0 1 IGAF Cc1ccc(-c2ccnn(C)c2=O)cc1NC(=O)C1=CN(C)C(=O)C[C@H]1c1ccc(F)cc1 118030439 YGBPQQRANAKAKZ-FQEVSTJZSA-N 446.482 3.363 0 1 IGAF C[S@@](=O)c1ncc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1 146917287 SLUWXEBGSAIUPC-HKBQPEDESA-N 442.585 3.232 0 1 IGAF COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)[C@@H](C)C(N)=O)c1 204172852 HZVSBPHWYBQBIP-AWEZNQCLSA-N 432.484 3.059 0 1 IGAF C[C@H]1[C@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(CCN2C(=O)c3cccnc3C2=O)cc1 248136121 CRQWDUKRSXCEAN-GQIGUUNPSA-N 441.553 3.023 0 1 IGAF O=C(N[C@@H]1CCc2ccccc21)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 299874537 BNTVAZJVHSEMDJ-KIFXHHALSA-N 448.567 3.460 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)[C@H](C)OCCOC)c(=O)c3ccccc23)c(O)c1 587667836 UXHQYXRKRUAAAR-INIZCTEOSA-N 439.512 3.307 0 1 IGAF CCOC(=O)CCC1(CCC(=O)OCC)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962957566 BYEJGYKHAKGXPU-AWEZNQCLSA-N 447.862 3.099 0 1 IGAF COc1cc(OCCCC(=O)O)ccc1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963230973 RGUDXPTWJBACKB-NZQKXSOJSA-N 436.464 3.175 0 1 IGAF O=C(N[C@H]1C[C@@H](n2cnc3c(NCc4cccnc4)ncnc32)C1)c1c(F)cccc1F 1772589531 VJDWGFSESWRKQR-GASCZTMLSA-N 435.438 3.245 0 1 IGAF Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3C(=O)N[C@H]3CCCN(C)C3)cc2c1 1857744720 IFXSRTSTTSOMER-APTRMMRNSA-N 430.552 3.125 0 1 IGAF CC1=C[C@H](CNC(=O)COCC(=O)O)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356418284 DTKJIHWDCCORMF-JZXOWHBKSA-N 431.508 3.317 0 1 IGAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@@H](COC(=O)CCC(=O)O)[C@@]2(C)CCC1=CC(=O)OC1 2356580450 VSTUTLIQELECLS-QQDNCWHOSA-N 434.529 3.408 0 1 IGAF CC(C)C[C@]1(O)C[C@H](C)[C@@H]2[C@H]1C(=O)[C@H]1[C@@H]3[C@H](O)[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356703141 NXIUUQKBFNWMSY-ZSYPMBOCSA-N 448.644 3.170 0 1 IGAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNC(=S)Nc2ccc(N(C)C)cc2)CC1 2356816888 DFEOHFPYKPPMQV-MIZPHKNDSA-N 429.678 3.481 0 1 IGAF COc1ccc(N2C(=O)c3ccccc3NC(=O)[C@@H]2C(=O)NCCc2ccccc2F)cc1 95599714 VHRREINSNGAPSW-QFIPXVFZSA-N 447.466 3.161 0 3 IGAF CCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@@H]1CCCO1)CC1(CCN(C(C)=O)CC1)O2 2491769 WGRYKCZEQLLLBF-UNMCSNQZSA-N 443.588 3.190 0 1 IGAF O=C(NC[C@H]1CCCO1)C1CCN(C2CCN(Cc3ccc4ccccc4n3)CC2)CC1 19229089 CILOIGZDHHPKCH-XMMPIXPASA-N 436.600 3.206 0 1 IGAF CC1CCN(c2c(NCc3ccc(C(=O)NCCc4ccccc4)cc3)c(=O)c2=O)CC1 20414702 IXIOIHMTZLAWFE-UHFFFAOYSA-N 431.536 3.104 0 1 IGAF CCNC(=O)[C@@H]1C[C@@H](NC2C3CC4CC(C3)CC2C4)CN1Cc1cccc(OC)c1OC 20600249 ARYOMYOWNBEUBG-JTIVXFSDSA-N 441.616 3.197 0 1 IGAF COCc1nc(-c2ccc(C(=O)NCc3ccc(OC(C)(C)C(=O)O)cc3)cc2)no1 28978962 XFJMAVNMEITXBO-UHFFFAOYSA-N 425.441 3.055 0 1 IGAF C[C@H](C(=O)Nc1ccccc1)[C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23 29326910 SMNDSOQZBJYLJC-ZBEGNZNMSA-N 428.286 3.214 0 1 IGAF CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccn(C)c(=O)c2)n2c1CCC2 29408976 HVKLYBPOISDVJG-UHFFFAOYSA-N 444.532 3.069 0 1 IGAF COC(=O)/N=c1\[nH]c2ccc([C@]3(O)c4ccccc4C(=O)N3c3cccc(F)c3)cc2[nH]1 35827430 VELDVXAPLPJACY-QHCPKHFHSA-N 432.411 3.156 0 1 IGAF COc1cc(OC)cc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(-c3ccccc3)nn4C)C2)c1 82196046 WAJWBNZBDSLRDM-UHFFFAOYSA-N 444.491 3.144 0 1 IGAF O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO 95794772 RGJBWJPEIDPDHJ-BLIXFSHQSA-N 449.502 3.334 0 1 IGAF O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 95795740 WKRXUPRECLBEMI-VDKIKQQVSA-N 448.469 3.443 0 1 IGAF Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3C(=O)c2ccccc2)c1 95894107 LSMGEOPFLFHPJR-RBZQAINGSA-N 448.544 3.173 0 1 IGAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2cc3c(cc2C1)N[C@H](N)N3 96923977 GJWNNHQBSQJALA-JYFHCDHNSA-N 434.632 3.158 0 1 IGAF C/C=C(\C)C(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 238778651 WXAJADWYCXGFFJ-RVKQQOPXSA-N 448.512 3.036 0 1 IGAF CSc1ccc2nc([C@@H]3CCCN3C(=O)CNS(=O)(=O)c3ccc(C)cc3)[nH]c2c1 586940349 NIRMWQNHFRQRCH-IBGZPJMESA-N 444.582 3.235 0 1 IGAF COC(=O)c1cc2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2cc1OC 586968870 DJMQRUVAXGQCLE-UHFFFAOYSA-N 440.437 3.429 0 1 IGAF NS(=O)(=O)c1cccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587117716 VVRUCCMFQORRJS-UHFFFAOYSA-N 433.843 3.199 0 1 IGAF CN(Cc1nc2c(Br)cnc(Cl)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170925 UZBVMILJYMCKRX-UHFFFAOYSA-N 433.690 3.334 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2c(O)cccc2C(=O)c2cc(C(=O)O)cc(O)c21 587405386 WNYHBAGBCDHUOP-DEOSSOPVSA-N 431.400 3.140 0 1 IGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 587867097 VKMJBRQCWOPXNO-AWEZNQCLSA-N 445.463 3.279 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3cc(Cl)c(Cl)c(Cl)c3)N2C(=O)[C@@H]2CCCN12 963217198 PBYCMIDFGFLONG-XEZPLFJOSA-N 425.703 3.217 0 1 IGAF COC(=O)C[C@]1(c2c(F)cccc2Cl)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228082 HYKASMAMYAMBDT-AVRDEDQJSA-N 428.847 3.433 0 1 IGAF C[C@@H](CO)n1cc(C(=O)c2cc(NC(=O)Cc3ccc(Cl)cn3)ccn2)c2cnccc21 1772597140 MHBWEQOSSJYJHH-AWEZNQCLSA-N 449.898 3.445 0 1 IGAF COC(=O)[C@H](CSCc1ccc(F)cc1)NC(=O)c1cc(OC)c(OC)c(OC)c1 1857582785 CPSQBGUOLZEMHM-INIZCTEOSA-N 437.489 3.056 0 1 IGAF O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1CN(Cc2ccc(-n3cccc3)nc2)c2ccccc2O1 1857750983 OVPOJSHGCBQPJW-IEIRFRATSA-N 432.524 3.060 0 1 IGAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)[C@H](OC(C)=O)[C@@H]3CC(=O)[C@@H]4c5ccoc5C[C@H]([C@H]43)[C@@]12C 2356420948 SIIXQBYEKXJFAK-NCYMKGCDSA-N 444.524 3.175 0 1 IGAF COc1cc(C(=O)O)c(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1OC 2111497 DHDPRSTWRMBXON-HSZRJFAPSA-N 435.436 3.123 0 1 IGAF biogenic COc1cc(C[C@H](COC(C)=O)[C@H](COC(C)=O)Cc2ccc3c(c2)OCO3)ccc1O 14437664 OHTVIXMKRHHBBH-UXHICEINSA-N 444.480 3.273 0 1 IGAF biogenic COC(=O)C(=C(/C)c1cc(OC)cc(OC)c1)/C(=C\c1ccccc1)C(=O)Nn1cnnc1 40405640 UYUBOGUQUHNVFF-LMGCRRTCSA-N 448.479 3.096 0 1 IGAF C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)COc1ccc(C(=O)c2ccccc2)cc1 40440056 ITZCSRRHGMNXSF-SDNWHVSQSA-N 442.297 3.469 0 1 IGAF NS(=O)(=O)c1ccc(N2N=C(c3nnc(S)o3)C[C@@H]2c2ccc(Cl)cc2)cc1 73129800 QUNNNXGQODMRNO-OAHLLOKOSA-N 435.918 3.015 0 1 IGAF CC(C)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N[C@@H]1CCCCNC1=O 82082029 WJVKFDBBQJKVSU-WBVHZDCISA-N 448.976 3.003 0 1 IGAF COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NC[C@@H](C)O)c2cc1OC 82129051 VLDCPMIJAIQCLE-CQSZACIVSA-N 442.516 3.112 0 1 IGAF COCCn1c(=O)c(NCc2ccccc2F)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82205670 ICEHVTFPAXNNFX-SFHVURJKSA-N 430.524 3.172 0 1 IGAF CC(C)n1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82211348 BLROHFBUAPLYSA-IBGZPJMESA-N 439.560 3.322 0 1 IGAF CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CCC)[C@H](C)CO2 95691644 RPQYAYCERJLDHX-NJNPRVFISA-N 448.608 3.434 0 1 IGAF Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc3c(c2)CC[C@@H]3NC(=O)C2(N)CC2)no1 142262751 STNBXDIHDUXATH-INIZCTEOSA-N 427.867 3.494 0 1 IGAF c1ccc(CNCC[C@]23O[C@]4(CCNCc5ccccn5)[C@H]5[C@@H]2[C@H]2C[C@@H]5[C@@H]5[C@@H]2[C@@H]3[C@@H]54)nc1 195369154 GMOUWTUTWWZURS-LRMKAIAESA-N 428.580 3.032 0 1 IGAF COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@@](C)(Cc2ccccc2)c2ccc(Cl)cc21 205480952 ZFPFQGHPNXJYDC-IOZGHAEBSA-N 442.003 3.496 0 1 IGAF NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc(N)c2C2=CCCC2)CC1 218690994 IIZJUCZMRWRRHC-SFHVURJKSA-N 432.494 3.467 0 1 IGAF O[C@@H]1CN(Cc2ccc(Br)cc2)CC[C@H]1N1CCN(c2ccccc2)CC1 261183793 WUDJZGQDYHJRLI-FGZHOGPDSA-N 430.390 3.207 0 1 IGAF CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=CC[C@@H](O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 299807129 RIJQQQOGGXBOKH-RKXLNJPNSA-N 439.574 3.054 0 1 IGAF CCO[C@@]12C[C@H]3[C@@H](CC[C@H]4[C@@]5(C(=O)OC)CCC[C@@]34[C@@H](OC)OC5)[C@@H](C)C1=CC(=O)O2 473152858 WEBYMNDFYQNFAA-XYDWCONRSA-N 434.529 3.217 0 1 IGAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)s1 587013878 CYGNGLQARJFDEZ-CYBMUJFWSA-N 436.559 3.113 0 1 IGAF CCOC(=O)C(=O)c1c(-c2c(C)[nH]c(C(=O)OCC)c2C)[nH]c2c(C(=O)O)cccc12 587638369 FYXJXUTVFYWXDR-UHFFFAOYSA-N 426.425 3.401 0 1 IGAF CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587744943 DMCNDYDCEHUAFP-TVNIXMEMSA-N 441.341 3.317 0 1 IGAF Cc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1 618006353 HTRKPXVQXASVAD-UHFFFAOYSA-N 425.510 3.384 0 1 IGAF CC(=O)c1ccc2c(c1)[C@@]1(C[C@H](OCCN)C1(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962617153 BPMJINABOARQDB-AXHZCLLHSA-N 446.544 3.105 0 1 IGAF CC(C)Cc1cc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(=N)N4)n2)no1 1772571493 RONGFOZZCCZHJR-ZKTNFTSUSA-N 435.575 3.473 0 1 IGAF CCNC(=O)Nc1ccc(-c2cc(N3CCOC[C@@H]3C)c3ncn(COCC)c3n2)cc1 1772599863 SEWNHQBYVKTFEH-INIZCTEOSA-N 438.532 3.459 0 1 IGAF Cc1oc(CF)nc1C(=O)Nc1csc([C@]23CO[C@@H](C)C[C@H]2CSC(=N)N3)n1 1772605919 HXXFWDUJJHJVQL-UYDXONCASA-N 425.511 3.053 0 1 IGAF CCO[C@@H]1OC(=O)C=C1[C@]1(OCC)C[C@]2(C)[C@H](C)C[C@@H]3OC(=O)C4=CCC[C@@]2(O1)[C@]43C 2356626697 GLYCHOIOWACMHC-UIGRKWNQSA-N 432.513 3.422 0 1 IGAF O=C(NCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccco1)c1ccco1 4411604 TWMRRLWGXPDAJN-HSZRJFAPSA-N 449.507 3.431 0 3 IGAF O=C(Nc1ccnn1C1CCN(Cc2ccccc2OCCO)CC1)c1cccc(F)c1 11840063 YOIVZELLHBREQE-UHFFFAOYSA-N 438.503 3.483 0 3 IGAF CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N[C@]21CCCN(Cc2ccc(C)cc2)C1=O 61921233 JICKZNRBUJZLMO-DVAKJLRASA-N 445.563 3.130 0 3 IGAF Cc1ccccc1S(=O)(=O)N[C@H]1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)C1 13859891 UCAOEOZGCIGAIW-NRFANRHFSA-N 442.581 3.409 0 1 IGAF C=C(C)[C@@H]1Cc2c(ccc(C(=O)O)c2O[C@@H]2COc3cc(OC)c(OC)cc3C2=O)O1 14688489 PIQZKVNWXMPJLU-OXJNMPFZSA-N 426.421 3.304 0 1 IGAF biogenic CCN(CC)CCNC(=O)c1cc(Cl)c(NC(=O)COc2ccccc2)cc1OC 26007973 CUGFHMJSHGRNKK-UHFFFAOYSA-N 433.936 3.438 0 1 IGAF O=C1CCc2ccc(cc2)Oc2cc(ccc2O)CCNC(=O)[C@H](Cc2ccc(O)cc2)N1 26503639 KULFSNKTGLRJAO-QFIPXVFZSA-N 446.503 3.223 0 1 IGAF CCS(=O)(=O)N1CCN(CCCCCCNc2cc(OC)cc3c(C)ccnc23)CC1 29569428 OYXICQJXPKBUAF-UHFFFAOYSA-N 448.633 3.491 0 1 IGAF C[C@H](NC1=NC(=O)[C@@](C)(c2ccc(C(=O)N3CCOCC3)cc2)S1)c1ccc(F)cc1 40393714 HSWRSJVMGAZCAR-NPMXOYFQSA-N 441.528 3.494 0 1 IGAF CC(=O)NCCn1c(-c2cccc(O)c2)nc2c(NCCCc3ccccc3)ncnc21 82179808 BKYRCVUVZHYMQP-UHFFFAOYSA-N 430.512 3.380 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](CO)CC(C)C 82197089 WBGCHXONIGVKOA-QSZCFUEPSA-N 430.589 3.095 0 1 IGAF CCCCO[C@H]1C[C@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2ccco2)C1 82199407 MNAAZWILBCHUJW-RBUKOAKNSA-N 444.528 3.056 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3C[C@@H]2CCN3c2ncc3cc(F)ccc3n2)c1 101334677 BRINWJIGTBMZEN-OALUTQOASA-N 443.486 3.151 0 1 IGAF O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(Cl)c3)nc12)N1CC(O)C1 118411228 OVGVXDAUXSJECV-QGZVFWFLSA-N 430.871 3.072 0 1 IGAF C/C(N)=[N+]1\CC[C@@H](Oc2ccc([C@@H](Cc3ccc4ccc(C(=N)N)cc4c3)C(=O)O)cc2)C1 169715834 FPCYYJGLPINSMR-DNQXCXABSA-O 445.543 3.075 0 1 IGAF COC(=O)[C@]1(Cc2cccc(OC)c2)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 299840941 WYHOQOVNZLAVDA-JTHBVZDNSA-N 430.453 3.111 0 1 IGAF C[C@@H](Cc1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1)N(C)C 587192674 YXOWURYGXGITCL-IBGZPJMESA-N 448.615 3.098 0 1 IGAF Cc1cc(Br)c2[nH]c(CNC(=O)CNC(=O)OCc3ccccc3)nc2c1 587227802 YGOUTUMZWKKQRY-UHFFFAOYSA-N 431.290 3.176 0 1 IGAF CCOc1ccc(-c2nn(C(=O)c3cccc(NN)n3)c(=O)c3ccccc23)cc1OCC 587669761 OEEHUIUUKXRTEO-UHFFFAOYSA-N 445.479 3.230 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)NC2CC2)cc1 587869626 LSNCZSZUGPXUSJ-UHFFFAOYSA-N 438.431 3.402 0 1 IGAF Cc1c([C@@]2(C)NCCc3nc4ccccn4c32)nnn1Cc1ccc(Br)cc1 962990633 RTWPURUTNADJIF-OAQYLSRUSA-N 437.345 3.454 0 1 IGAF CNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4ccccc4C(F)(F)F)C3)n2)c1 1772644171 ZGHNSQDSHYNHQZ-UHFFFAOYSA-N 444.417 3.261 0 1 IGAF COc1cc(C(=O)OCCN2CCC(NC(=O)OC(C)(C)C)CC2)c2ccccc2n1 1857764352 YNRUEJYMYHIULC-UHFFFAOYSA-N 429.517 3.389 0 1 IGAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 2356350291 ZJHXJBSQXISWJE-RCTAOEEJSA-N 433.552 3.054 0 1 IGAF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H]([C@H](O)CCC(C)C)CCC[C@@H]3[C@@H]2[C@H]1C 2356679073 FJKTVMIXYWERGH-IEGBIBBISA-N 447.572 3.238 0 1 IGAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccccc2C(F)(F)F)n1 2356730796 HXWPJXFTLYPZAL-ONCXSQPRSA-N 437.506 3.483 0 1 IGAF CC(C)(C)OC[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccccc1F)C(=O)OC(C)(C)C 61922180 MQTAPMUKMNFUNS-HNNXBMFYSA-N 448.495 3.056 0 3 IGAF COc1ccccc1[C@@H]1CC(=O)C[C@@H](c2ccccc2OC)C12C(=O)NC(=S)N=C2O 5924755 POMVPHZAPHHHIS-IRXDYDNUSA-N 438.505 3.292 0 1 IGAF Cc1ccc(N2C(=O)C[C@@H](N(C(=O)CSc3ncccn3)C3CCCCC3)C2=O)cc1 17166922 MTDFIFIDAZXHTC-LJQANCHMSA-N 438.553 3.371 0 1 IGAF CCCc1ccc(CCC(=O)c2c(O)cc(O[C@H](CCC(=O)O)C(=O)O)cc2O)cc1O 27429490 FXGNWHUYPBTNEK-HXUWFJFHSA-N 446.452 3.268 0 1 IGAF Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2ccc(F)cc2F)O1 28974519 VOCYHUBFCKNORO-MMEWPQADSA-N 425.332 3.032 0 1 IGAF Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1cccc(F)c1F)CC3 82196297 NCNZIEHJPJBWJD-UHFFFAOYSA-N 440.475 3.391 0 1 IGAF C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1 84710359 TXUQRJZCUVIQAO-HXUWFJFHSA-N 439.556 3.174 0 1 IGAF O=C(NCCCNc1nc(Nc2cccc(F)c2)ncc1Br)c1cnccn1 95558507 WYPHCSSATDPLMA-UHFFFAOYSA-N 446.284 3.144 0 1 IGAF O=C(NC1CCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO 95795596 GLQQPHVYVKRUCN-AOHZBQACSA-N 437.515 3.116 0 1 IGAF O=C(C[C@@H]1CC[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 95866810 BUXNMIFPDSBWFP-KMDXXIMOSA-N 445.519 3.416 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 95893380 MEFQVJONHPYETN-FDFHNCONSA-N 432.455 3.242 0 1 IGAF COC(C)(C)c1cccc(-c2cc(NC(=O)C3CNC(=O)NC3)nn2-c2ccccc2)c1 169707191 SSNBQXNPQKJAKD-UHFFFAOYSA-N 433.512 3.288 0 1 IGAF Cc1cc(N2C(=O)c3nn(C(=O)N(C)C)c(C)c3[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O 261077319 BDBFPELIWNNUAS-IBGZPJMESA-N 439.903 3.132 0 1 IGAF Cc1ccc(CSCCc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 586970480 FLGGKHXKRIPYAW-UHFFFAOYSA-N 438.597 3.097 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCN(C)CC1)(c1ccc(Br)cc1)O2 587370273 DITXQMGUCNYPON-JOCHJYFZSA-N 444.373 3.448 0 1 IGAF CCOc1ccc(-c2nn([C@]3(C)CCS(=O)(=O)C3)c(=O)c3ccccc23)cc1OCC 587671072 OSQODDBHUQOCHT-HSZRJFAPSA-N 442.537 3.395 0 1 IGAF CCc1ccccc1-n1c(C)cn2c3c(=O)n(Cc4nc(C)c(C)s4)c(=O)n(C)c3nc12 621431748 DYGNHJOSKMBCNR-UHFFFAOYSA-N 448.552 3.131 0 1 IGAF COc1ccc2c(c1OC)[C@@](C)(c1cnc3[nH]ccnc1-3)N(C(=O)c1ccccc1N)CC2 963150378 VLQUERVJRGFAMW-RUZDIDTESA-N 443.507 3.471 0 1 IGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@@H]3CCOC[C@H]3C)c2cn1)c1ccccc1 1772586719 JYSNHMORORUHFY-NIKGAXFTSA-N 425.489 3.271 0 1 IGAF 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CCCCOC(=O)COC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccc(C)cc3)n2)C1 82069611 XNLLNAPSFJCNCT-SFHVURJKSA-N 428.485 3.389 0 1 IGAF Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCC(CN)CC2)c2nc[nH]c2n1 84669203 BDGKHWVVQWFFRH-UHFFFAOYSA-N 436.564 3.171 0 1 IGAF COCON1C(=O)[C@H](CC(C)C)N(Cc2ccccc2)[C@@H]([C@H](O)c2cccc(F)c2)C1=O 84706661 NDENWOHDAKQDOF-FDFHNCONSA-N 444.503 3.049 0 1 IGAF O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 95874319 DFXDBLKOJGNHJX-VXNXHJTFSA-N 435.572 3.020 0 1 IGAF O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCCC1 101550104 WOBPMJGMMUTQIX-VMRZPWDWSA-N 440.588 3.030 0 1 IGAF CC(C)[C@](C)(c1ccc(-c2cnc(N)nc2)nc1)c1noc(-c2cnn(CC(C)(C)O)c2)n1 114768590 VLDYGRYCABFURJ-HSZRJFAPSA-N 448.531 3.100 0 1 IGAF Cc1c[nH]c2ncnc(N3CC[C@H](C(=O)Nc4cccc(OC(=O)N(C)C)c4)[C@@H](C)C3)c12 299840347 VCYAIYACPTUHNX-YJBOKZPZSA-N 436.516 3.428 0 1 IGAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 299874976 CGMJBHMMSCBMOG-CFSSXQINSA-N 430.892 3.406 0 1 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COc1ccc2c(c1)O[C@H](C)CN(CC(=O)NC[C@@H](c1cccnc1)N1CCCCC1)C2 12457456 HTPZQLPQZUCOBI-XXBNENTESA-N 438.572 3.017 0 1 IGAF O=C(O)C[C@@H](NC(=O)c1cc(Cl)ccc1NC(=O)OCc1ccccc1)C(=O)CF 28825311 JITOQWXUHZCKLJ-MRXNPFEDSA-N 436.823 3.200 0 1 IGAF CC(=O)O[C@H]([C@H](C)/C=C/N(C)C=O)[C@@H](C)[C@@H](/C=C/c1ccccc1)OC(=O)[C@H](C)N(C)C 40430312 RKQTYCPLLOBMNL-IHKKCCMMSA-N 444.572 3.368 0 1 IGAF CONC(=O)c1ccc(C)c(Nc2cc(=O)n(C)c3c2cnn3-c2ccc(F)cc2F)c1 42990033 OXIJPONGRSEQAF-UHFFFAOYSA-N 439.422 3.346 0 1 IGAF CCn1cc(-c2nc3ccc(Cl)cc3[nH]2)c(=O)c2cc(F)c(N3CCNCC3)nc21 43079530 WFMMWLGDNIVDHD-UHFFFAOYSA-N 426.883 3.162 0 1 IGAF O=C(O)[C@]1(NS(=O)(=O)c2ccc(-n3cc(Cl)cn3)s2)CC[C@@H]1c1ccccc1 49019472 PATYFZFVUUSJMQ-KDOFPFPSSA-N 437.930 3.267 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)N(C)C[C@@H]1C 95689182 GJRFAEJZYRRRGG-IUKKYPGJSA-N 439.556 3.375 0 1 IGAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CC1CCCCC1 95880012 JFRHLGBMXDPXSL-AZOUXBGGSA-N 436.552 3.232 0 1 IGAF O=S(=O)(c1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(F)cc1 95893642 ZGJYVBKAGWBJOI-RBZQAINGSA-N 438.524 3.364 0 1 IGAF O=C(N[C@H](CO)c1ccc2c(c1)OCO2)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167446836 GDFMJCOITPVTSW-OAQYLSRUSA-N 445.475 3.426 0 1 IGAF CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccc2c(c1)OCO2 169720543 WJCRDUKXPXJTRI-URVUXULASA-N 449.532 3.184 0 1 IGAF CCOc1ncccc1-c1noc([C@@H]2CCN2C(=O)c2cc(C)ccc2-n2nccn2)n1 218042241 LQMOSTNDDQUZPY-SFHVURJKSA-N 431.456 3.007 0 1 IGAF CC1=C[C@]2(CC(=O)N1CCC(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587339131 DYBUMASKFDJRIK-JTHBVZDNSA-N 425.412 3.240 0 1 IGAF COc1ccc([C@]2(CNC(=O)CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511694 MYFZYDCGIGQQPW-RUZDIDTESA-N 437.492 3.416 0 1 IGAF COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cc(F)c(Br)cc2F)c1OC 587943709 ONCZGIDJZLSTNT-UHFFFAOYSA-N 448.216 3.037 0 1 IGAF CCc1nc(-c2ccc(-c3ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc3)cc2)co1 653723609 LWBXSTRPHHBOPE-JOCHJYFZSA-N 446.440 3.303 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962763437 KKDSYSMIIIJSSK-AVRDEDQJSA-N 449.425 3.107 0 1 IGAF Oc1nc(N2CCOCC2)nc(N[C@@H]2CCCC[C@@H]2O)c1-c1nc2ccccc2s1 1772597975 XKLORZKESRVPEZ-HIFRSBDPSA-N 427.530 3.011 0 1 IGAF O=C(O)c1ccc(-c2c(/C=C/c3ccccn3)nc3c(N4CCOCC4)ccnn23)cc1 1772600482 GKTUIFKFAFQYOV-CMDGGOBGSA-N 427.464 3.497 0 1 IGAF CC(=O)NCC(=O)N1CCC[C@H]1c1cc(C(=O)Nc2ncc(Cl)s2)c(C)s1 1857654319 ZBBUYIRTHPEMCF-LBPRGKRZSA-N 426.951 3.218 0 1 IGAF O=c1n(CCCCCCN2CCN(c3nsc4ccccc34)CC2)nc2ccccn12 1911585888 XVXFSBQMSJKQKG-UHFFFAOYSA-N 436.585 3.488 0 1 IGAF Cn1c(=O)c(Cc2ccc(C(=N)N)cc2)nc2cc(C(C)(C)C(=O)N3CCCCC3)ccc21 13535250 ZZLHKGIGMFVTHQ-UHFFFAOYSA-N 445.567 3.098 0 1 IGAF COC(=O)c1cc2c(cc1C(=O)OC)CN(C(=S)NCCc1ccc(Cl)cc1)CC2 29123278 RIKHQVOEPDMTHX-UHFFFAOYSA-N 446.956 3.389 0 1 IGAF CN1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccccc1 58566625 QHJLWYFWLQLCPM-QFIPXVFZSA-N 448.479 3.436 0 1 IGAF 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CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 586973998 SSHZYKDFQRRAFU-HXUWFJFHSA-N 435.553 3.429 0 1 IGAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cccc(N)c3C(=O)O)[nH]c2c1 587249847 KSDLANRUXTXLKI-UHFFFAOYSA-N 438.465 3.320 0 1 IGAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCN1CCOCC1 587398395 GDQNKRYOWJNPQI-QFIPXVFZSA-N 426.513 3.393 0 1 IGAF COc1cc2c3c(c1)O[C@]1(C=C(C(=O)O)Oc4ccc(Br)cc41)[C@@H](C2)C3=O 587419037 RKFIYJNLMUUXAQ-RBZFPXEDSA-N 429.222 3.462 0 1 IGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2=O 587491670 MRTYIVXSANMCEU-NRFANRHFSA-N 431.510 3.072 0 1 IGAF C=CN1CC[C@H]([C@]2(c3cnccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O 587581127 GHLRLDRHIBPQSE-GSMBIVSISA-N 429.432 3.031 0 1 IGAF Cn1cc(-c2ccc(Nc3cccc(Cn4nc(-c5cnn(C)c5)ccc4=O)c3)nc2)cn1 653701078 OSQGJQQBVUJUOW-UHFFFAOYSA-N 438.495 3.231 0 1 IGAF Cn1c(=O)n(CC(C)(C)C)c2ccc(N3C[C@H]4CC[C@H]3CN4C(=O)c3ccccc3)nc21 653912906 UELFYHQXZBSMTA-RBUKOAKNSA-N 433.556 3.275 0 1 IGAF 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CCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2csc3c(N)ncnc23)c1F 84669480 ZRQOKMLIDGOKCY-UHFFFAOYSA-N 443.913 3.470 0 1 IGAF CCN1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO 95881519 YGSIRKPQRSDRAD-UVMVBKAHSA-N 447.579 3.015 0 1 IGAF CNC(=O)NC(=O)[C@@]12C[C@@H]3C[C@H](C[C@H](C1)[C@H]3NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C2 100387800 RJTGWEXIFPHKQR-FXQZJHFUSA-N 447.963 3.264 0 1 IGAF COc1cc(C(=O)N[C@H]2CCCN(C(=O)NCc3ccccc3)C2)ccc1-n1cnc(C)c1 103225434 UDJAWLNRTPGIGY-NRFANRHFSA-N 447.539 3.293 0 1 IGAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)C(=O)C[C@@]32O)C1 118926746 JIOXQMJNOROPDA-FIVUJQJSSA-N 430.541 3.354 0 1 IGAF CSc1ccc(N2C(=O)C(=O)[C@H](C(=O)C(C)(C)C)[C@H]2c2cccnc2OCCO)cc1 169695282 UONCJCFRSNZYED-QZTJIDSGSA-N 442.537 3.063 0 1 IGAF O[C@@H]1CCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)C1 205242934 SNWCKNPCXZGTJB-CYBMUJFWSA-N 437.301 3.415 0 1 IGAF CCCCc1c(CC(=O)N[C@@H]2CCOC2=O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987377 NYDVXESFYDLZFL-GOSISDBHSA-N 444.487 3.469 0 1 IGAF O=C(c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1)N1CCN(CCO)CC1 587108998 FLPMWTFVOXOBPL-UHFFFAOYSA-N 436.409 3.138 0 1 IGAF CCOC(=O)CCOCCCOCCc1nc2c(Cl)c(Br)cnc2[nH]1 587566284 FBEJZXYFBRBRIG-UHFFFAOYSA-N 434.718 3.293 0 1 IGAF CCN(CC)c1ccc(-c2nn(-c3ccc4nncn4n3)c(=O)c3ccccc23)c(O)c1 587667889 UBHHOQBALAFBGN-UHFFFAOYSA-N 427.468 3.042 0 1 IGAF CC1(C)C=Cc2cc3c(cc2O1)[N+]([O-])=C1C3=C[C@@]23NC(=O)[C@@]4(CCCN4C2=O)C[C@H]3C1(C)C 888075732 CRUOLOXVRBAOST-YZYNAAERSA-N 445.519 3.140 0 1 IGAF COC(=O)c1nn(-c2ccccc2)c(Cl)c1[C@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963014705 AACHKFFUUBLSGI-RBZFPXEDSA-N 436.899 3.455 0 1 IGAF CS(=O)(=O)c1cc(-c2ccc(F)cc2)cc(S(=O)(=O)c2ccc(CN)s2)c1 1857564168 CMERDWBVNJGHQN-UHFFFAOYSA-N 425.528 3.249 0 1 IGAF COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 36386467 FVCCLOICVKDTNY-HULNYRCFSA-N 436.483 3.176 0 3 IGAF CC[C@@]1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O 12026552 KQYKLQASQVGJEY-CYFREDJKSA-N 439.512 3.032 0 1 IGAF CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2ccc(F)cc2F)CCO1 27657667 MMKGBABWESAOLC-OAHLLOKOSA-N 439.890 3.230 0 1 IGAF COc1ccc(S(=O)(=O)NCCc2ccccc2Cl)cc1NC1CCN(C)CC1 58602894 NJSDDGOXMXEUGV-UHFFFAOYSA-N 437.993 3.376 0 1 IGAF Cc1ccc(Cl)cc1Nc1nc(NC(C)C)nc(N2CCN(CCN(C)C)CC2)n1 73224444 HLPSXOKAZRSTDQ-UHFFFAOYSA-N 433.004 3.081 0 1 IGAF COC(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C 95872683 CPFCVXYAQBATNY-PNCHPQGNSA-N 440.540 3.410 0 1 IGAF COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(NCC(F)F)nc3n2)cc1CO 138840759 BHDLSMOLUYOZIL-ZDUSSCGKSA-N 445.470 3.095 0 1 IGAF C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cc(=O)cc(C(=O)O)o1)C(=O)O 141035417 ONNUXPTYPGZZBK-BEFAXECRSA-N 449.459 3.457 0 1 IGAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CC4(COC4)C3)c2n1 223698042 HAAZZIUGFLCBME-UHFFFAOYSA-N 429.484 3.014 0 1 IGAF CN(C)CCNC(=O)CCc1ccc(Nc2ncc(Cl)c(NC[C@@H]3CCCO3)n2)cc1 299852331 QLQHJKLDQOOEOU-SFHVURJKSA-N 446.983 3.075 0 1 IGAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)cc1OC 299883826 SAUAEKCMUGQNDC-VAMCWYGZSA-N 426.513 3.319 0 1 IGAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 586945686 KLJFOFLCFRWYMK-HNNXBMFYSA-N 443.525 3.157 0 1 IGAF CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cncc(OC)c5[nH]4)nc3n2)cn1 587130057 JLZOCZWJKQLUDZ-UHFFFAOYSA-N 439.430 3.010 0 1 IGAF CCOC(=O)Cc1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587203739 SNHYWSYYUYHIQR-GOSISDBHSA-N 425.441 3.111 0 1 IGAF COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587587752 PSEQDNZKGHASMG-BKSPAHHJSA-N 447.443 3.399 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(COC(=O)C(C)(C)C)nn2)N1 587760264 ORFQQKHRFJQTRB-HWPZZCPQSA-N 425.302 3.350 0 1 IGAF C[C@H](Oc1ccccc1[C@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C)C(=O)O 963152162 UMQOWULSAHRNCY-PEYYIBSZSA-N 448.497 3.331 0 1 IGAF Cc1cccc([C@@H]2[C@@H](C(=O)NCc3cccnc3)OCC(=O)N2c2ccc(F)c(F)c2)c1 1857759238 KRMHJXFWZUFFQW-PKTZIBPZSA-N 437.446 3.458 0 1 IGAF CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3C=C(C)C[C@H](CO)C[C@H]1O 2356791658 IVHIYFAYONFDBJ-DFBIXWEUSA-N 447.616 3.029 0 1 IGAF O=C(N[C@@H]1N=C(c2ccccc2)c2cc(O)cc3c2N(CC3)C1=O)c1cc2ccccc2cn1 3959302 LRSRAJPLDDBOMK-VWLOTQADSA-N 448.482 3.437 0 1 IGAF COC(=O)[C@H]1C[C@@H](OC(C)=O)C(=O)[C@@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@@]12C 14951909 OBSYBRPAKCASQB-ATYGRSBDSA-N 432.469 3.000 0 1 IGAF CC(=O)O[C@]1(C(=O)O)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C(C)[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C 26985243 BXUCFXRZHITJPF-DAFDQTNXSA-N 434.504 3.380 0 1 IGAF CCCCCCNC(=O)N1CCN(c2ccc([C@H]3CC(C(=O)OCC)=NO3)cc2)CC1 40918141 DTWPXGRRKNOTEO-OAQYLSRUSA-N 430.549 3.479 0 1 IGAF COc1ccc(C2=NN(Cc3ccc(CN4CCOCC4)cc3)C(=O)[C@@H]3CC[C@H]23)cc1OC 45390473 TYRFDYIRJBOWAX-FCHUYYIVSA-N 449.551 3.309 0 1 IGAF CN(C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccccc2)CC1 66260025 DBKKWYIWYDMXMI-DEOSSOPVSA-N 441.526 3.041 0 1 IGAF COc1ccc(Oc2nc(NCCCN3CCCC3=O)nc(N3CCC(C)CC3)n2)cc1 82066755 MWYHFHCLPMNBGG-UHFFFAOYSA-N 440.548 3.333 0 1 IGAF NCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2ccc(Cl)cc2)n1 82080868 REJLSHCCKUHEJP-KRWDZBQOSA-N 429.929 3.307 0 1 IGAF Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@@H]3CC[C@H](CN4C(=O)CNC4=O)C3)cc12 114765367 NEHZQDDBZCRSJY-LSDHHAIUSA-N 443.573 3.362 0 1 IGAF CCOCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1 137857611 UWAMBTHTEQFJIL-UHFFFAOYSA-N 444.561 3.288 0 1 IGAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(O)cccc2[C@H]1CN1CC[C@@H](O)C1 169318597 FWOHZFVTZAFRGX-FOIQADDNSA-N 435.351 3.434 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336164 JIBMPLRHRBEGJJ-QPPBQGQZSA-N 435.407 3.313 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1 587869424 IELDNDRQHAMBPO-RDBSUJKOSA-N 426.439 3.358 0 1 IGAF CC1(C)CC2=C([C@@]3(C1)N[C@H](C(=O)O)Cc1cc(F)ccc13)[C@]1(C)CC(=O)N(C3CC3)[C@@H]1O2 962912410 PGQQLLPFOROWPE-IJELEPPBSA-N 440.515 3.451 0 1 IGAF O=Cc1ccc([C@H](C2CCCCC2)[C@@H]2C[C@H]([C@@H]3CC[C@H]4[C@H](CC[C@H]4O)N3)[C@]3(O)C[N@]23)cc1 2356453430 YHOOJSBJHQYHSM-JOVJZZRBSA-N 438.612 3.447 0 1 IGAF CC(C)(O)CC=C[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C 2356519538 GMDMOLHINHWOGI-JELXCNRGSA-N 448.644 3.480 0 1 IGAF COc1ccc([C@H]2SCC(=O)N=C3C2=C(C)NN3[C@@H]2CCOC(C)(C)C2)cc1OC 104013646 KWTCKPVSKFCGRA-FOIQADDNSA-N 431.558 3.469 0 3 IGAF O=C(Nc1ccc2c(c1)OCCO2)[C@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCCC1 199248604 IFBSJBYQZHPYGI-NRFANRHFSA-N 435.480 3.192 0 3 IGAF CO[C@]12CC[C@@]3(C[C@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 2245236 OIJXLIIMXHRJJH-SQUHMWLESA-N 425.569 3.388 0 1 IGAF in-man CCCCOCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 4533553 SEQVJKBHDLBJIR-SFTDATJTSA-N 428.529 3.403 0 1 IGAF CCOc1cc2c(N3CCN(C(=S)NCc4ccccc4)CC3)ncnc2cc1OC 13528677 KIPNTFREYBTTKV-UHFFFAOYSA-N 437.569 3.234 0 1 IGAF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCOCCO 13586223 JAUKJPWPKMSRRZ-UHFFFAOYSA-N 430.505 3.440 0 1 IGAF O=C(CC[C@@H]1CCc2cc3c(nc2C1)NCCC3)NC[C@@H](C(=O)O)c1ccc2c(c1)OCC2 13860641 ZIYZOTDZIZBOGY-HRAATJIYSA-N 449.551 3.244 0 1 IGAF N=C(N)c1cccc(-c2cc(CC(=O)O)cc(-c3cc4cc(C(=N)N)ccc4[nH]3)c2O)c1 26377742 XDFRAPJPJBIELU-UHFFFAOYSA-N 427.464 3.403 0 1 IGAF CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(C[C@@H]2COc3ccccc3O2)CC1 27988068 HCFNBXFYJLTRRQ-HXUWFJFHSA-N 438.524 3.277 0 1 IGAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(NCCN3CCOCC3)nncc2c1 40953247 XNOPUGWJDVUCJD-UHFFFAOYSA-N 431.540 3.242 0 1 IGAF COC(=O)N1C[C@@H]2[C@H](N3CCCC3)CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1 49071633 OMVSGZSRXSCVQR-KFKAGJAMSA-N 440.371 3.442 0 1 IGAF CCOCCn1nc(CC)c2nc(NCC3CCNCC3)nc(Nc3cc(C)ccn3)c21 49088940 XDLYAHVCLXQTFX-UHFFFAOYSA-N 438.580 3.284 0 1 IGAF Clc1cnc(N2CCC([C@H]3C[C@H]3CCOc3ccc(-n4ccnn4)cn3)CC2)nc1 71332962 SPYYSSJCCWKFGM-VQIMIIECSA-N 425.924 3.427 0 1 IGAF Cc1ccc(C(=O)Nc2cc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)ccn2)cc1C 73223475 JLSAYGNBEXSZKV-UHFFFAOYSA-N 429.524 3.310 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCc1cc(OC)ccc1OC 82199930 UKQSCPKUROXMDL-OIAPHTIBSA-N 432.561 3.115 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](O)c1ccccc1 82209319 IQHQROSRRLUXPS-YKVLRQSASA-N 428.573 3.369 0 1 IGAF COc1cc2nc(N3CCN(C(=O)/C(C)=C/c4cccs4)CC3)nc(N)c2cc1OC 95540144 ATXUAEUPFPIXTL-SDNWHVSQSA-N 439.541 3.043 0 1 IGAF O=C(c1cccc(F)c1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 95875728 CCWJFBVUUQTVRE-CCDWMCETSA-N 446.526 3.348 0 1 IGAF Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCc3nc4ccccc4[nH]3)c2c1=O 115622274 XYIFGUFZTBPCON-UHFFFAOYSA-N 441.495 3.106 0 1 IGAF CO[C@@H]1C=CC=CC=CC[C@H](O)C[C@H](O)CC=CC=CC=CC(=O)O[C@@H](C[C@@H](C)O)C1 299807747 SZPWNRYGTQYOLD-HUUMMWPTSA-N 432.557 3.317 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)N[C@H](C)CN(C)C 299875168 COQYUVRGJNTWRM-XORNHQRDSA-N 425.529 3.252 0 1 IGAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1F 587144523 NVRJIZAMKCRAKN-UHFFFAOYSA-N 425.441 3.256 0 1 IGAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(S(C)(=O)=O)ccc2[nH]1 587179881 AVBLRVVJYYEYTD-SECBINFHSA-N 444.298 3.406 0 1 IGAF C=CN1CC[C@@H]([C@@]2(c3cc(OC)cc(OC)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587435326 FJOZWZRVFKCYPF-UMEGOILYSA-N 435.476 3.347 0 1 IGAF Cn1nnnc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587581918 JRHXQAPHDVUGFN-NZQKXSOJSA-N 430.420 3.198 0 1 IGAF COC(=O)[C@H](C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)N=O 587588020 RGPVWWNLUQIBCE-BTCOZLQPSA-N 434.404 3.342 0 1 IGAF Cc1c(C)c(S(=O)(=O)N(CCCCCN)OCCCN)c(C)c2c1OC(C)(C)CC2 1655140 WSBBVDBQRGSDHL-UHFFFAOYSA-N 441.638 3.116 0 1 IGAF O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4296072 ASLQPUZOJWOPAT-CTNGQTDRSA-N 431.895 3.019 0 1 IGAF CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)C1 4296198 OELKGHXKPHEUNY-DLVCFXQMSA-N 429.879 3.308 0 1 IGAF CCCCCC(=O)OCCOCCOCCOCCOCCOCc1ccccc1 5782352 VRCRCBWHBOWEMU-UHFFFAOYSA-N 426.550 3.393 0 1 IGAF C[C@H]1Cc2cc(Br)cc3[nH]c(=O)c(=O)n(c23)[C@@H]1CC(=O)Nc1ccccc1 29325661 HHHFZDWACHYGEX-MEDUHNTESA-N 428.286 3.214 0 1 IGAF CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]34O)[C@@]2(C)C[C@H]1O 38940374 VGRYHTNZVZAKPS-VDCJICNISA-N 432.557 3.146 0 1 IGAF C(CN1CCOCCOCCOCCOCCOCC1)CC12CC3CC(CC(C3)C1)C2 72106186 VVFPYYKDOGGJSC-UHFFFAOYSA-N 439.637 3.382 0 1 IGAF O=C(c1ccncc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO 95866075 BTSNKRNUIDLFIL-TYZGCXJRSA-N 439.515 3.063 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1 95893576 PJZPDGURIMLNLR-GPXNEJASSA-N 446.482 3.171 0 1 IGAF O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@H]1CO 95906936 MUASOPIRAYEFMY-AHRSYUTCSA-N 449.910 3.329 0 1 IGAF Cc1nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)cc(N(C)C)n1 96172471 AFBDTJMBQCZBCS-FXAWDEMLSA-N 445.571 3.332 0 1 IGAF CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@H](c2ccc(F)cc2)N=C(c2cnccn2)N1 100410936 IWILYSVOZLQCHZ-NRFANRHFSA-N 427.443 3.496 0 1 IGAF COCCn1c(SCC(=O)NCCc2ccccc2)nc2c3ccccc3nc-2c1O 101801777 CRESGSFDFFEZSJ-UHFFFAOYSA-N 436.537 3.339 0 1 IGAF CSc1ncc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccnc2)n1Cc1ccccc1 103212371 UZGBQTIQEXQDSV-IBGZPJMESA-N 434.525 3.315 0 1 IGAF CN(C(=O)c1ccc(N(C)[C@@H]2CCN(c3ncnc4[nH]ccc34)C2)nc1)c1ccccc1 142162892 MOEPTUQQHSYPJL-LJQANCHMSA-N 427.512 3.345 0 1 IGAF COc1ccccc1[C@H]1[C@@H](C(=O)C(C)(C)CO)C(=O)C(=O)N1c1ccc(SC)cc1 169694967 MYWMQEBETXCPSE-MOPGFXCFSA-N 427.522 3.278 0 1 IGAF C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)C=C(C)C)[C@H]12 205834971 XBHSWWUGHYACAO-QVAMGZDBSA-N 446.540 3.411 0 1 IGAF Cn1nccc1Nc1cc2nc(C(=O)N[C@H](CO)c3ccc(Cl)c(F)c3)ccc2cn1 210920534 VKEHHFHLZFTOGI-GOSISDBHSA-N 440.866 3.363 0 1 IGAF COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3ncc(C)c4occc34)CC2)CC1 261186671 XPRRZXPFKHAHFH-MXVIHJGJSA-N 428.577 3.360 0 1 IGAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccccc5F)CC4)[C@@H]3[C@H](O)[C@]21C 504714237 DLPGSFRECXFFPX-KPNMAMFFSA-N 428.548 3.233 0 1 IGAF biogenic CN(C)S(=O)(=O)c1cccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 586900772 MGLHUPOALIFCMA-UHFFFAOYSA-N 425.466 3.465 0 1 IGAF CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c(N)ncnc2[nH]1 586998212 ZNXTZNAWQITDMQ-CYBMUJFWSA-N 447.337 3.376 0 1 IGAF O=C(O)c1nn(Cc2nc3cc(Cl)cc(Cl)c3[nH]2)cc1I 587184380 BFTYTKRFQFUBLP-UHFFFAOYSA-N 437.024 3.417 0 1 IGAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(=O)N1CCC(O)CC1)CC2=O 587475859 QLSYUQHPEYIOEU-HSZRJFAPSA-N 439.508 3.413 0 1 IGAF Cn1nnnc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587581920 JRHXQAPHDVUGFN-OFNKIYASSA-N 430.420 3.198 0 1 IGAF CC(C)(C)OC(=O)N1C(=O)C[C@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)C1(C)C 962761916 IDRNTILROBCCIX-VBKZILBWSA-N 426.435 3.474 0 1 IGAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@]2(N1)C(=O)Nc1c(F)cc(F)cc12 963206827 YXZQQRGLDWARDF-CXAGYDPISA-N 432.732 3.432 0 1 IGAF CNC(=O)c1cc(F)cc(Nc2ncnc(N3CC(Oc4ccc(F)c(Cl)c4)C3)n2)c1 1772620810 ABCAVLHDWVDYLD-UHFFFAOYSA-N 446.845 3.174 0 1 IGAF C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@H](C)[C@H]2[C@H]1O 2356551576 LEBCFQBYEGVFRS-OSNAKYBHSA-N 448.648 3.370 0 1 IGAF COC[C@@H]1CCCN1C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1cccc(SC)c1 2356876007 ZGWMAPXILYHOOJ-YHELAOLJSA-N 432.634 3.351 0 1 IGAF O=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)c1ccccc1)C1CCCC1 198921906 DQSSSLYONOEFMM-GOTSBHOMSA-N 433.552 3.342 0 3 IGAF COc1ccc(OC)c(CCNc2nc3cnc(-c4ccc(C(N)=O)cc4)cc3n2C)c1 205222790 RIHNHDQCUDIEKD-UHFFFAOYSA-N 431.496 3.406 0 3 IGAF O=C(O)[C@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1ccccc1Br 13807275 WFXQCDCLSNIHRG-GDBMZVCRSA-N 435.322 3.247 0 1 IGAF CCOC(=O)c1cc(NC(=O)Cc2ccsc2)ccc1OC[C@@H](O)CNC(C)(C)C 25977460 WQSZHCXTKFGALH-KRWDZBQOSA-N 434.558 3.234 0 1 IGAF COc1cc2nc3c(c4c2c(c1OC)N(C(C)=O)CC4)CCc1cc(OCCN)ccc1-3 28020210 KPLSVQVXGVKRBZ-UHFFFAOYSA-N 433.508 3.264 0 1 IGAF COC(=O)/N=c1/[nH]c2ccc([C@]3(O)c4ccccc4C(=O)N3Cc3cccc(C)c3)cc2[nH]1 34630998 VKKLDAOMDIUYCR-VWLOTQADSA-N 442.475 3.321 0 1 IGAF Cc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)NCc3ccc4[nH]ccc4c3)sc12 38382537 KTXXTAMHYVKIKC-UHFFFAOYSA-N 444.516 3.291 0 1 IGAF Cn1cc(C(=O)O)c(=O)c2cc(O)c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21 40899365 IADJCVZQSUKRDA-UHFFFAOYSA-N 447.413 3.288 0 1 IGAF COC1=CC2=C(c3c(cc(OC)c(OC)c3OC)C[C@H](C)[C@@](C)(O)C2)[C@H](OC)[C@@H]1OC 70455334 AIYHSCPSKCGBNX-NCUHEXLKSA-N 434.529 3.373 0 1 IGAF biogenic,in-vitro C[C@@H](CS(=O)(=O)CCCCCn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 96172748 HPDYWVNYVDRPEC-SFHVURJKSA-N 448.585 3.247 0 1 IGAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3ccc(Cl)cc32)CC1 101441332 CJYARFQIYSIBMK-MAEOIBBWSA-N 430.014 3.015 0 1 IGAF CNC(=O)c1c(-c2ccc(F)cc2)nn2cc3c(cc12)[C@H](C)CCCN3S(C)(=O)=O 143369413 MUYFPUCQPPQXAB-CYBMUJFWSA-N 430.505 3.163 0 1 IGAF O=c1cccc2n1C[C@@H]1C[C@H]2CN([C@H](c2cccc(F)c2)c2sc3ncnn3c2O)C1 169294035 SHAUCOMGACGFDB-FRIZHTMISA-N 437.500 3.006 0 1 IGAF CN1CCN(c2cc(-c3ccc4c5[nH]ncc5c(=O)n(CC(F)(F)F)c4c3)ccn2)CC1 205011275 FRQHFANPVQKTEC-UHFFFAOYSA-N 442.445 3.254 0 1 IGAF COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncco1 205643392 GHEMSERNBZGDLL-GOSISDBHSA-N 445.479 3.015 0 1 IGAF Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 216889512 FXQXRXUKLGCVRL-NFAWXSAZSA-N 448.499 3.034 0 1 IGAF O=S(=O)(NCc1nc2c(F)cnc(Cl)c2[nH]1)c1ccc(Br)s1 586941555 AYVMUKYJOXUOCW-UHFFFAOYSA-N 425.692 3.053 0 1 IGAF NC(=O)c1cc2c(nc1O)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338803 RSMUSTLTNOTSED-RDPSFJRHSA-N 434.423 3.322 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1n[nH]c(C)c1Br 587866451 FELQHKSWNLACCI-UHFFFAOYSA-N 430.184 3.455 0 1 IGAF CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc([C@@H]2[C@H]3C[C@@H](N4CCOCC4)C[C@H]32)n1 653760080 JJHDDWHUMVENTB-PVGDPBLGSA-N 431.487 3.109 0 1 IGAF CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(O)c3s2)CC1 653807570 QNNZVYXKHPICLO-MRXNPFEDSA-N 441.586 3.372 0 1 IGAF C[C@H](C[C@]1(c2cccc(CO)c2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12)C(=O)O 962659285 DZEQUYTVWVSNIF-YIUNNBJSSA-N 448.519 3.180 0 1 IGAF CNC[C@H](NC(=O)c1ccc(-c2cc(F)c(Cl)c(F)c2)[nH]1)c1ncc(CO)s1 1772612147 PKJNTOBPRNCUHY-HNNXBMFYSA-N 426.876 3.253 0 1 IGAF Cc1ncc[nH]c1=Nc1ccnc2cc(-c3cnc(N4CCCN(C)CC4)nc3)ccc12 1857546817 NXDLTRWKLFKXJG-UHFFFAOYSA-N 426.528 3.098 0 1 IGAF CC1CCN(C[C@H]2CN3CC[C@H]2C[C@H]3CNC(=S)Nc2ccc(N(C)C)cc2)CC1 2356816887 DFEOHFPYKPPMQV-JTAQYXEDSA-N 429.678 3.481 0 1 IGAF Cc1ccc(Cn2c(SCC(=O)NC[C@@H]3CCCO3)nc3ccsc3c2=O)cc1 2908632 ACGSDORDPFKNJN-INIZCTEOSA-N 429.567 3.202 0 3 IGAF CN(Cc1nccs1)C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 13636895 CQVJFMSLFQKXSW-NRFANRHFSA-N 434.565 3.159 0 3 IGAF COc1ccc(Br)cc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)N1CCOCC1 767166 BMCBRDTXCAKFJW-ICSRJNTNSA-N 445.313 3.408 0 1 IGAF CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 769775 QCCHSNJNPMAMIL-JTHBVZDNSA-N 439.556 3.378 0 1 IGAF COc1cc([C@@H]2Oc3cc4oc(=O)ccc4cc3O[C@H]2/C=C/CO)cc(OC)c1OC 15268974 PJMNFKDJPUENND-AFRPKSQESA-N 426.421 3.248 0 1 IGAF COCCCNC(=O)c1ccccc1N1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](C)N2C1=O 15959262 PEEIQSSZPLVYRT-YCRPNKLZSA-N 446.507 3.389 0 1 IGAF biogenic CC(C)NC[C@@H](O)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@@H]2N(C)C 26504142 DFGVLEYIPSNYJU-ORGVQKIISA-N 430.633 3.181 0 1 IGAF CN(C)c1ccc(-c2nc3c(N4C[C@@H]5CCN(Cc6ccccc6)[C@@H]5C4)ncnc3o2)cn1 28113196 YSVIIUBIAQWFIX-VQTJNVASSA-N 441.539 3.457 0 1 IGAF COc1ccccc1N1CCN(C/C=C/CNC(=O)c2cc(C)ccc2OCCF)CC1 66124175 FGFHFJJEESMBGK-AATRIKPKSA-N 441.547 3.460 0 1 IGAF COc1cc2nc(N3CCN(C)CC3)nc(NCc3c(F)cccc3F)c2cc1OC 82128979 IPHRTGADNBNOAB-UHFFFAOYSA-N 429.471 3.289 0 1 IGAF Cc1nc2ccccc2nc1CCc1nc(C(=O)NC[C@@H]2CCCO2)cc(N2CCCC2)n1 95574512 PMHFGEMRSKIZLB-SFHVURJKSA-N 446.555 3.022 0 1 IGAF O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccc(F)c1 95894690 IRGPAELJLNMAJN-JBRSBNLGSA-N 430.479 3.384 0 1 IGAF O=C(Nc1ccc(OC2CCN(C(=O)[C@H]3CCCO3)CC2)nc1)N1Cc2ccccc2C1 166737704 YICGPAPLOROWPM-OAQYLSRUSA-N 436.512 3.178 0 1 IGAF COc1cc(C[C@@H]2C[S@@](=O)C[C@H](NCc3cccc(C(C)(C)C)c3)[C@H]2O)cc(F)c1N 169300294 YDLJWZHCJHGQOV-MMIABTCFSA-N 448.604 3.154 0 1 IGAF Cc1cc(=O)oc2cc(OCCCCCCn3cc(CN4CCOCC4)nn3)ccc12 169311495 KFOQGVFQBFSWKC-UHFFFAOYSA-N 426.517 3.165 0 1 IGAF COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@]13[C@@H]1CO[C@H]2[C@H]13 194898875 UKKISEARMRFGRE-ONMAAGLUSA-N 426.465 3.321 0 1 IGAF O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 253674309 SAHCFCFOKRFDAF-CSCWZEDUSA-N 439.987 3.295 0 1 IGAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)N[C@@H](CO)Cc2ccccc2)cc1 299878688 JOFHNBAQQSFJQI-KIFXHHALSA-N 433.508 3.157 0 1 IGAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587028758 VKENKGABBJUMBR-UHFFFAOYSA-N 429.527 3.011 0 1 IGAF COC(=O)c1cc2[nH]c([C@H](C)NC(=O)c3cc4c(C)nn(C)c4s3)nc2cc1OC 587037425 ISMMRBQDMZUMTR-JTQLQIEISA-N 427.486 3.106 0 1 IGAF COC(=O)CC[C@H](C(=O)OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346045 ARYSAECNXGYMGE-LLBVYWAGSA-N 430.428 3.391 0 1 IGAF CCN1C(=O)c2cc(OC)cc(OC)c2[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1=O 587516225 AMLRBXLUXZFWDZ-RUZDIDTESA-N 435.476 3.446 0 1 IGAF CCCc1noc(C2=C(C)CS[C@@H]3[C@H](NC(=O)CCc4ccccc4Cl)C(=O)N23)n1 1857562559 OYWPOWWSHJEVCC-DYESRHJHSA-N 446.960 3.439 0 1 IGAF COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@H]1CO2 26654774 WZOMJNATDSYQHS-OIOLHQOISA-N 449.551 3.146 0 1 IGAF CN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccc5[nH]c(=O)[nH]c5c4)c3n2)CC1 40394316 SAWILEAWPGPJKO-UHFFFAOYSA-N 428.418 3.237 0 1 IGAF CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N[C@@H]1CCCCNC1=O 82082197 RLEKYEVLSOOJGV-TZIWHRDSSA-N 448.523 3.034 0 1 IGAF CCCn1c(=O)c(NCc2cccc(OC(F)(F)F)c2)c2n(c1=O)C[C@H](C(C)C)N2 82206411 KKYGDXYWXASZHW-OAHLLOKOSA-N 426.439 3.381 0 1 IGAF O=C(N[C@H]1CC[C@H]2CN(S(=O)(=O)c3ccccn3)C[C@H]12)c1ccc(Cl)cc1Cl 169313611 GEFIDYGSQOOKMX-NUTKFTJISA-N 440.352 3.218 0 1 IGAF Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)CC3CCOCC3)cc2F)cn1 224859990 LEAZWEWDYOWWRJ-UHFFFAOYSA-N 428.489 3.127 0 1 IGAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](O)c3cccc(O)c3)[nH]c2c1 586893926 XXFDRDUFTNDKRE-HXUWFJFHSA-N 425.466 3.160 0 1 IGAF COc1cc(-c2nc3ccc(OCCN(C)C)cc3[nH]2)ccc1OCC(=O)NC(C)C 587223024 LQXJFIDTMHBDTI-UHFFFAOYSA-N 426.517 3.082 0 1 IGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OCC 587476585 PZYOVLIORVVXGO-MWTRTKDXSA-N 433.501 3.479 0 1 IGAF C[C@]1([C@@H]2C=C(C(=O)O)NN2c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587186 LNHNJABKBBOKGI-BPYKYCOYSA-N 444.443 3.474 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)Cc3csc(N)n3)c(=O)c3ccccc23)c(O)c1 587669328 INZOTIRVDACCDJ-UHFFFAOYSA-N 449.536 3.537 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CCC(=O)O)c1ccccc12 587772765 WIJIJXMCVDMJPN-BIBXISHDSA-N 433.277 3.187 0 1 IGAF CC1=C([C@@]2(C)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)C(=O)N[C@]1(C)O 963840989 FBDOFPYUKLROPK-GRFCFPJTSA-N 444.528 3.002 0 1 IGAF CC(=CCO)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O 2356568491 MMJYNAIFRKURTQ-BTMQSKKTSA-N 440.621 3.162 0 1 IGAF CC1(C)S[C@@H]2[C@H](C(=O)OCc3ccccc3)NC(=O)N2[C@H]1C(=O)OCc1ccccc1 12479026 LPXALDJLBWHJBQ-CEXWTWQISA-N 440.521 3.087 0 3 IGAF Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)cc1 8589325 WDEIGTNXUTVSII-HXUWFJFHSA-N 441.553 3.041 0 1 IGAF COc1ccc(C(=O)N2CCOc3ccc(CN4CCN(c5ccccn5)CC4)cc3C2)o1 12025201 FHUXAVZRVAPRNY-UHFFFAOYSA-N 448.523 3.040 0 1 IGAF CCOC(=O)[C@H]1C(C(=O)OC)=C(CC(C)C)c2ccccc2N1S(=O)(=O)C(F)(F)F 13814006 ITUAEYXCUXQYQT-MRXNPFEDSA-N 449.447 3.261 0 1 IGAF O=C1NCCCC[C@H]1N(C[C@H]1CCc2ccccc2O1)S(=O)(=O)c1ccc(Cl)cc1 71340557 XIEOOLUERKMLEL-UYAOXDASSA-N 448.972 3.393 0 1 IGAF CCN1CCN(CCC(=O)Nc2c(C)[nH]c(/C=C3\C(=O)Nc4ccc(F)cc43)c2C)CC1 72318829 UCVSBXVAWNHNTF-RGEXLXHISA-N 439.535 3.229 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)NC[C@@H]1C 95692201 ULFQVHHILZHREN-WCJKSRRJSA-N 443.519 3.172 0 1 IGAF Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CO)Nc4ccc(Br)cc4[C@@H]32)cc1 95878147 QOAMHAVTMBZIDA-ATZDWAIDSA-N 437.359 3.296 0 1 IGAF COc1ccc(CNC(=O)c2ccccc2CNCc2ccc3c(c2C(=O)O)OCO3)cc1 95921327 KFDRXOMFDTWNBI-UHFFFAOYSA-N 448.475 3.342 0 1 IGAF in-vitro O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(NC[C@@H]2CCCO2)nc1C1CCCC1 101585289 IHUQFLXGIKCLLM-IBTXMMMHSA-N 440.588 3.395 0 1 IGAF OCc1cc([C@@H](O)CNCCc2ccc(N3CCN(c4ccccc4)CC3)cc2)ccc1O 169351210 GRABPNBVFQHUCW-MHZLTWQESA-N 447.579 3.077 0 1 IGAF CC1(C)CN(c2ccc(Nc3ncc4c5ccncc5n(C5CCC5)c4n3)nn2)CCN1 169706798 RAFUPHSGKSPIHL-UHFFFAOYSA-N 429.532 3.426 0 1 IGAF O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCCN2c1cccc2ncccc12 205736696 ZHRHGJXIFPIJLH-UHFFFAOYSA-N 425.495 3.418 0 1 IGAF Ic1ccc(Nc2nc(N3CCNCC3)nc3ccccc23)cc1 473081760 CZWUHQBIUMGCFW-UHFFFAOYSA-N 431.281 3.388 0 1 IGAF COc1ccc2[nH]cc(C(=O)O)c(=Nc3ccc(OCCCN4CCOCC4)cc3)c2c1 473151242 OMFICQJAXLCFDK-UHFFFAOYSA-N 437.496 3.208 0 1 IGAF COC(=O)[C@H]1CC(=O)[C@@H](C(=O)OC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587097274 KNCLHJWHNWIYSS-HNAYVOBHSA-N 429.428 3.241 0 1 IGAF Cc1ccc2c(c1)[C@@]1(NCCc3nc4ccccn4c31)C(=O)[C@H](c1ccc3c(c1)OCO3)O2 962984402 DCDOGQSRJDXCSV-OZXSUGGESA-N 439.471 3.464 0 1 IGAF O=C(NCC(=O)N1CCC1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772638656 YABNBHZSSYNFKS-UHFFFAOYSA-N 430.386 3.403 0 1 IGAF O=C(O)C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2356771253 SVJXCJROFMLTFM-SBFWRKJZSA-N 449.595 3.271 0 1 IGAF CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOCCO)cc1 4039628 LXOLVVKRGYUFAM-UPVQGACJSA-N 439.556 3.093 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)NCCCN1CCCC1=O 4153459 JUCKBGHXBLOCSK-IFMALSPDSA-N 441.553 3.367 0 1 IGAF Cc1ccc(C2=NO[C@@H](C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)cc1 13489906 RWYRRHYQCAZVOQ-OAQYLSRUSA-N 435.505 3.441 0 1 IGAF CCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)cc2OC)C1=O 26772185 IUAYSLGNQVPEJR-HYBUGGRVSA-N 433.508 3.280 0 1 IGAF biogenic CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@@H](CC(C)C)NC(=O)CC[C@@H](C)Cc1ccccc1 27097576 PWUXNAGOBAFCRC-HLAWJBBLSA-N 446.588 3.203 0 1 IGAF COc1ccc(CN2CCN(c3ccccc3)CC2)c2cc(C(=O)NCCN(C)C)oc12 28878108 ZTTSTCRESZJJKC-UHFFFAOYSA-N 436.556 3.055 0 1 IGAF CNC(=O)CN1N=C(c2ccccc2)C2(CCN([C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)C1=O 49031561 AMSDLHMBLLSAKF-KSEOMHKRSA-N 436.600 3.420 0 1 IGAF O=C(O)[C@@H]1C[C@H]2C[C@@H](Oc3cc(CCc4ccccc4)ccc3-c3nnn[nH]3)CC[C@H]2CN1 103278029 LSWDZUGMPBDVNV-IIZPIQPGSA-N 447.539 3.262 0 1 IGAF COc1cc(OC)nc(N2C[C@@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@H]3C2)n1 116825632 BHCSNOBCPPLBRX-HOTGVXAUSA-N 436.537 3.431 0 1 IGAF COc1ccc(CCCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)C(C)C)c1 147635467 NIGPJSZQNRBMCU-UHFFFAOYSA-N 430.530 3.457 0 1 IGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc5ccccc5c4-n4ccnn4)C[C@H]3C2)n1 167132384 FMMDXCLXFKEZTO-BGYRXZFFSA-N 439.523 3.036 0 1 IGAF Cn1nccc1CS(=O)(=O)Cc1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586921477 IXKPELZONWNZKY-UHFFFAOYSA-N 437.241 3.193 0 1 IGAF CC(=O)CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3ccc(S(C)(=O)=O)cc23)cc1 587650554 NRMVTBVFWHBJND-UHFFFAOYSA-N 427.482 3.050 0 1 IGAF Cn1cccc1CN1CCc2sccc2[C@]12C(C(=O)O)=CN(CC(=O)O)c1ccccc12 962370621 GCWPUMPFQOJSKI-XMMPIXPASA-N 449.532 3.262 0 1 IGAF COc1cccc(OC)c1[C@]1(CCCC(=O)O)NCCc2ccc(C(=O)N(C)C)cc21 962927937 FPIGBZUHWFXQBB-XMMPIXPASA-N 426.513 3.050 0 1 IGAF O=C(NCCNC(=O)c1cccc([C@@H]2NCCc3ccc(O)cc32)c1)OCc1ccccc1 963353465 ROOQKORUBCUIQB-DEOSSOPVSA-N 445.519 3.284 0 1 IGAF FC1(F)CCC(Nc2cc3nc(Nc4ccc(N5CCNCC5)cn4)[nH]c3cn2)CC1 1857601796 ATUSGMKEJQIEMF-UHFFFAOYSA-N 428.491 3.496 0 1 IGAF COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3CCCO3)ccc2N2CCCC2)cc1 9662201 CKRUBPIAYOBZIY-HXUWFJFHSA-N 445.541 3.214 0 3 IGAF CCN(CCn1cccn1)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 12712694 RZHKRQGSCJWMLC-VWLOTQADSA-N 434.584 3.203 0 3 IGAF C/C(=C(\CCO)SCCC(=O)c1ccc(C)cc1)N(C=O)Cc1cnc(C)nc1N 1756088 PSFMECZYSPXRNW-PGMHBOJBSA-N 428.558 3.254 0 1 IGAF in-vitro CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 5070497 ULTJLNFYGOFNHJ-IRFCIJBXSA-N 430.545 3.225 0 1 IGAF COc1ccccc1N1CCN(CCCNC(=O)[C@@H]2CCCc3c(OC)cccc32)CC1 13757324 LTLCYGQKNCSZNO-JOCHJYFZSA-N 437.584 3.452 0 1 IGAF COc1cc(C[C@H]2C(=O)OC[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1O 14437750 RSRURHUUEQLLQS-HZPDHXFCSA-N 432.469 3.010 0 1 IGAF biogenic,in-vitro CCCC[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NC[C@@H](O)C(=O)O)C(=O)O 29407168 MKBUPSIAEKNMBU-YPAWHYETSA-N 441.524 3.355 0 1 IGAF COC(=O)/N=c1/[nH]c2ccc([C@]3(O)c4ccccc4C(=O)N3c3ccccc3C)cc2[nH]1 38268960 GGQNUTKAMDBMBF-DEOSSOPVSA-N 428.448 3.325 0 1 IGAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCN(c2ccccc2)CC1)Nc1ccsc1 43527313 UPTTXDHMRVNACT-ZRCGQRJVSA-N 439.629 3.402 0 1 IGAF biogenic Cc1ccc(-c2nc(C(=O)NCC(=O)NC3CCN(Cc4ccccc4)CC3)co2)cc1 82072104 QDKIWVBXEMCXCN-UHFFFAOYSA-N 432.524 3.161 0 1 IGAF CCCCOCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)Cc1ccccc1OC 82198870 HRCMGDLTLDDTQF-VXKWHMMOSA-N 448.604 3.347 0 1 IGAF CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN2CCC(c3ccc(Cl)cc3)CC2)cc1 84462263 GISCYOSSBXGMDU-FQEVSTJZSA-N 438.977 3.331 0 1 IGAF COc1cc(N2CCN(C(=O)Cn3nc(C(C)(C)O)c(Cl)c3C)CC2)ccc1Cl 95583737 COYLRJDCJLFLMR-UHFFFAOYSA-N 441.359 3.083 0 1 IGAF COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1CCCN(C)CC1 96913690 XIGZAONAJMZWKN-UHFFFAOYSA-N 438.507 3.070 0 1 IGAF NC1=N[C@@](c2cc(NC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)(C(F)F)COC1 113656909 XSTVHCYQAAOEHC-KRWDZBQOSA-N 432.324 3.340 0 1 IGAF Cc1ccc(CNC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCCCCN2CCCC2)C32CC2)o1 168400683 UVDCSWPZJOIVHG-CIAFKFPVSA-N 425.573 3.025 0 1 IGAF COC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](C4=CC(=O)OC4)[C@@H](O)C[C@]32O)C1 299810101 HLVMTJOTGLNNPR-IQBVMMGESA-N 448.556 3.366 0 1 IGAF CC(=O)N[C@@H](Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1)c1ccc(Br)cc1 586986054 VAZFZSALRBPRJE-KRWDZBQOSA-N 429.318 3.447 0 1 IGAF O=C(NCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1)c1cscn1 587028466 PSJNTLRZGRLUAX-UHFFFAOYSA-N 447.929 3.404 0 1 IGAF O=C(c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1)N1CCN(CCO)CC1 587084940 JPCBCZNGUCCDQG-UHFFFAOYSA-N 435.915 3.182 0 1 IGAF CC[C@@H](C)n1ncc(I)c1-c1nc2nc(C(=O)OC)ccc2[nH]1 587180572 GXPHUHBUQZBFBS-MRVPVSSYSA-N 425.230 3.184 0 1 IGAF O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)n1ncc2ccc(Cl)cc2c1=O 587654922 PTDLLNGTMRRSKG-UHFFFAOYSA-N 428.853 3.305 0 1 IGAF CNC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587743926 QCLFQQBZNUWWBS-PRWKNARSSA-N 437.309 3.345 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2cnn(C)c2)(c2cnn(C)c2)N1 587764398 PKNUOVUXTMQDJO-YUNKPMOVSA-N 446.324 3.106 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cc(Br)cn1 587866627 HOIGXJREIDLLFT-UHFFFAOYSA-N 430.184 3.272 0 1 IGAF COC(=O)C(=O)C[C@]1(c2ccc(Cl)cc2Cl)NCCc2ccc(C(=O)N(C)C)cc21 962929807 XUBBSRBGAWMOAA-JOCHJYFZSA-N 449.334 3.217 0 1 IGAF COc1ccc([C@@H]2Oc3ccccc3[C@@]3(N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)C2=O)cc1 963475014 YSZGJFNDQSLFFB-CZZAQMAHSA-N 445.471 3.255 0 1 IGAF O=C1CN(c2ccccc2)C(=O)[C@H](Cc2c([C@H](O)c3ccccc3)[nH]c3ccccc23)N1 1857540761 IATIFMFDFGBFBA-WIOPSUGQSA-N 425.488 3.324 0 1 IGAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@@H](NC5CC5)C4)cc3)sc2n1 1857615713 HLQNOGSWTIZTBF-GOSISDBHSA-N 435.597 3.490 0 1 IGAF O=C(O)C[C@H]1CCN(S(=O)(=O)c2ccccc2)C[C@@H]1Cc1nc2ccc(F)cc2[nH]1 2356574883 ROVNSFSWIRXANF-CABCVRRESA-N 431.489 3.046 0 1 IGAF CC(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(CO)[C@H]3C[C@@H](O)[C@H]2[C@@H](C)N(C)C)C1 2356678712 QESRLCMMDDILDH-XHBJMCGUSA-N 432.649 3.306 0 1 IGAF Cc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CC2)cc1 61929729 WHZQWLRJOAVVFV-OAQYLSRUSA-N 446.956 3.176 0 3 IGAF Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(=N)N)c(Cl)c2)c1 3591047 QKGFTDAISIBIBV-UHFFFAOYSA-N 429.645 3.495 0 1 IGAF in-vivo CN1CCN(c2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(-c4ccccc4)c3n2)CC1 4239082 YXAWTMOSTYTQQX-UHFFFAOYSA-N 432.915 3.248 0 1 IGAF O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12 27524191 NNAXKHVAOITCFH-VXKWHMMOSA-N 430.508 3.212 0 1 IGAF COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2c(C)cc(C)cc2C)CCO1 27706073 KUUVTCZOYVTWFA-QGZVFWFLSA-N 431.964 3.487 0 1 IGAF CCCCCc1ccc(CCc2cc3cn([C@H]4C[C@H](O)[C@@H](CO)O4)c(=O)nc3o2)cc1 28710404 GJTGSCGUUMMBPJ-BHDDXSALSA-N 426.513 3.148 0 1 IGAF CCCCOCCCNC(=O)[C@H]1C[C@H](OCCCC)CN1C(=O)Cc1ccccc1OC 82198871 HRCMGDLTLDDTQF-FCHUYYIVSA-N 448.604 3.347 0 1 IGAF CCOC(=O)C[C@H]1C(C(=O)OC)=C(N)Oc2ccc(-c3cc(OC)cc(OC)c3)cc21 95558826 UIXDRRQDAABLPO-GOSISDBHSA-N 427.453 3.143 0 1 IGAF Cc1cc(-c2ccc(-c3nnn[nH]3)cc2)c(OCCO)c(-c2ccc(-c3nnn[nH]3)cc2)c1 95583337 CIGFGSRIBWJNFN-UHFFFAOYSA-N 440.467 3.060 0 1 IGAF COc1ccc(C(=O)NCc2cccc(Nc3ncnc4c(C(N)=O)cc(O)cc34)c2)cc1 167032107 DTZJZNAWJBWOKO-UHFFFAOYSA-N 443.463 3.117 0 1 IGAF NC(=O)[C@@H]1CCCN1C(=O)CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1 169310360 WGYDCBSUZLWHCJ-SFHVURJKSA-N 441.403 3.152 0 1 IGAF COc1ccc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc(C(=O)O)[nH]2)cc1 205825180 CRZHBTHNNBIEMX-YVLHZVERSA-N 446.419 3.176 0 1 IGAF COc1ccc(OC)c(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)c1 220189366 WTALDRGXRVYDCW-UHFFFAOYSA-N 433.511 3.492 0 1 IGAF COc1cc(OC)c(C(=O)c2c(OC)cc(OC)c(C)c2OC(C)=O)c(OC(C)=O)c1C 685935622 YCVHMRXQLPBYDW-UHFFFAOYSA-N 446.452 3.419 0 1 IGAF biogenic,in-vitro COC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@]12c1c(ccc(OC)c1OC)C[C@@H](C)N2C 962623089 KPNCVWJMDJJPQI-JJHGTGHCSA-N 438.568 3.471 0 1 IGAF CCO[C@@H](C)n1cc(I)c([C@H]2NCCc3c2c(C(C)C)nn3C)n1 962923008 TUSXRLAJCCXCPI-GTNSWQLSSA-N 443.333 3.135 0 1 IGAF CC(C)(C)OC(=O)N1[C@@H](c2cn(Cc3ccccc3)nn2)c2scnc2C[C@@H]1C(=O)O 963131708 AXURXWPRVSVOPN-SJORKVTESA-N 441.513 3.119 0 1 IGAF CN1Cc2c(C3=CC[C@H](N[C@@H](CO)C(=O)O)CC3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772587080 KRYAATXONPODKV-KXBFYZLASA-N 436.487 3.290 0 1 IGAF COc1ncc(-c2ccc3c(c2)NC(=O)CO3)cc1NS(=O)(=O)c1ccc(F)cc1 1857560379 AEWXDIJJSLVFGC-UHFFFAOYSA-N 429.429 3.028 0 1 IGAF COc1ccc(OC)c(CCn2cnc3ccc(-c4ccccc4C(N)=O)cc3c2=O)c1 1857597422 UQTCIGRTDYHCQD-UHFFFAOYSA-N 429.476 3.422 0 1 IGAF Oc1nc(=Nc2cccc(-c3cn(CCCc4ccccc4)nn3)c2)c2cccnc2n1O 1857645726 ZJRCJWUEXLYJSA-UHFFFAOYSA-N 439.479 3.498 0 1 IGAF Cc1ccc(-c2cn3nc(N4CCC[C@H](C(=O)NCCN5CCCC5)C4)sc3n2)cc1 9117529 AEFXPHQIAHMXGZ-IBGZPJMESA-N 438.601 3.195 0 1 IGAF COc1ccc(CCN(C)CCC[C@H]2Oc3cc4c(cc3NC2=O)OCCO4)cc1OC 13780773 SIAXBMJNTBTIQF-LJQANCHMSA-N 442.512 3.129 0 1 IGAF CSc1ccc(-c2ccc(C(=O)NC[C@H]3CCCO3)c(N3CCC(O)CC3)n2)cc1 19145743 RGBBSNVOUGFAFN-GOSISDBHSA-N 427.570 3.340 0 1 IGAF O=C1Nc2ccc(-n3cncn3)cc2[C@@](CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 45258574 WOAVNQWAOKKNOV-SFHVURJKSA-N 435.337 3.156 0 1 IGAF COC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)[C@H](O)C[C@@]32O)C1 58503218 HLVMTJOTGLNNPR-MVEFCYHASA-N 448.556 3.366 0 1 IGAF CN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)Cc1ccc(F)cc1 66104513 GKCUCOILFCQCEO-QGZVFWFLSA-N 430.501 3.184 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(CC2CC2)C[C@@H]1C 95679956 RQRIRLWLPMSYRH-YGKZAACZSA-N 443.588 3.251 0 1 IGAF O=C(Cc1ccncc1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 95873747 SDSXGZBNTFUEJJ-OHSXHVKISA-N 442.563 3.137 0 1 IGAF O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CCN(C(=O)[C@H]3CCOC3)CC2)C1 96285138 LPUPTEXTLYVCLC-HNNXBMFYSA-N 441.450 3.468 0 1 IGAF Cn1c(N2CCO[C@@H](c3ccc(Br)cc3)C2)nc(-c2ccncc2F)cc1=O 113089792 DJTWMKUFKSLHHN-GOSISDBHSA-N 445.292 3.322 0 1 IGAF CN(C)C(=O)c1cc2ccc(Nc3nccc(-c4cc(OC5COC5)ccn4)n3)cc2n1C 144296393 FXEYNOCKDLCQTH-UHFFFAOYSA-N 444.495 3.253 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@@H]4NC(C(=O)OCC(C)C)=C(C)[C@@H]4C[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169305549 LCIWAGQFSNMYED-GQJVWZDWSA-N 438.568 3.035 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@H](O)CC 299881809 ORMAYFFABOHALT-YCASGBEESA-N 442.512 3.081 0 1 IGAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](Cc2cccs2)(C(=O)O)N1 962926018 SFDRQKRYGNHWRM-SIKLNZKXSA-N 425.462 3.368 0 1 IGAF Cc1c(Br)ccc2c1[C@]1(N[C@@H](C(=O)O)Cc3c1cnc1ccccc31)C(=O)N2 963236986 TXDRBCVTYXOFHJ-UTKZUKDTSA-N 438.281 3.100 0 1 IGAF CS(=O)(=O)c1nc(-c2ccc(=O)n(Cc3ccc(Cl)cc3)c2)cc(C(F)(F)F)n1 1772588865 OHENHCHUNPWCKA-UHFFFAOYSA-N 443.834 3.429 0 1 IGAF CC[C@H]1CN(CCOC)C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c1cc(Cl)cc(Cl)c1 1772598468 IQYGXJZNLDYFIV-VHSSKADRSA-N 449.400 3.420 0 1 IGAF O=S(=O)(c1ccc(-c2ccc3[nH]ccc(=Nc4ccccn4)c3c2)cc1)N1CCOCC1 1772636073 LLGXPAVHHXYMJV-UHFFFAOYSA-N 446.532 3.483 0 1 IGAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@@]2(O)C1 1857605250 DDNFNZMFXRMHIQ-LXBUJNGFSA-N 432.557 3.290 0 1 IGAF CCOCc1c(O)cc(C)c2c1Oc1cc3c(c(C)c1OC2=O)[C@@H](O)[C@H](O)C(C)(C)O3 2356818084 DQJAXLHZBPXXOO-NQIIRXRSSA-N 430.453 3.436 0 1 IGAF COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C)n1)[C@@H](c1cccnc1)N(C)C2=O 3958474 YZHNTCMHCNIXKH-FGZHOGPDSA-N 432.480 3.351 0 3 IGAF O=C(Nc1nc2ccccc2s1)c1ccc2sc([C@H]3C[C@H](O)[C@@H](CO)O3)nc2c1 61895525 HSGQMUOOCQXEBF-RRFJBIMHSA-N 427.507 3.342 0 3 IGAF COc1cccc(N2CCN(C(=O)c3c(C)oc4ncnc(N5CCCCC5)c34)CC2)c1 8597070 DYTCUFRDCLGVKV-UHFFFAOYSA-N 435.528 3.493 0 1 IGAF O=C(c1nccs1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 13738807 LPDUJIYPFMOVDG-MOPGFXCFSA-N 425.554 3.331 0 1 IGAF CCC/C=C/C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 28013264 KSSBUXNZTZBOGG-BCHTXMBSSA-N 446.617 3.275 0 1 IGAF 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CCN1C(=O)c2cccc3c(S(=O)(=O)N4CC[C@H](NC(=O)OC(C)(C)C)C4)ccc1c23 1857749021 PXAKSBUUUQATCZ-AWEZNQCLSA-N 445.541 3.108 0 1 IGAF CCN(CC)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1ccc(-n2cccn2)cc1 2356311828 JUTYZJNJCIJUSH-IPJJNNNSSA-N 426.634 3.211 0 1 IGAF CC1=CC(=O)OC1=C[C@H](O)[C@](C)(O)CC[C@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@H]2CC[C@@]1(C)O 2356626635 FFAXSQPCILRGAU-OAKZAEMXSA-N 436.589 3.230 0 1 IGAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@]23OC(=O)C=C[C@@H](O)C[C@H](CO)CC1 2356790725 FXEKGZBREDRTQE-WYHDYKSMSA-N 445.600 3.297 0 1 IGAF CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)NS(=O)(=O)c2cccc(F)c2)cc1 61896382 LWSSUVZTEQVFAF-QHCPKHFHSA-N 446.544 3.162 0 3 IGAF Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c1 61903868 OFQLFSIQHRSORX-LJQANCHMSA-N 440.974 3.057 0 3 IGAF CCCCOc1ccc(-c2ccc(CC[C@](N)(CO)COP(=O)(O)O)cc2)cc1F 35998138 ULMHODUJXJVNJF-NRFANRHFSA-N 441.436 3.403 0 1 IGAF O=C(O[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccc1 40406821 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IDUVVOAZBAZUNS-XIRDDKMYSA-N 443.433 3.242 0 1 IGAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cnc(Cl)[nH]c-2n1 586938026 UEMJWQMRGUCKPE-LBPRGKRZSA-N 425.967 3.347 0 1 IGAF NC(=O)c1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1 587108130 HQQJSHCRADUHQX-HNNXBMFYSA-N 438.431 3.206 0 1 IGAF O=S(=O)(O)c1ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2c1 587155342 DYDJNXNGKAXJBC-UHFFFAOYSA-N 447.469 3.417 0 1 IGAF COc1nc(N)nc(N2CCCC2)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587765553 KABZNSNKHUINAR-MGPLVRAMSA-N 436.329 3.193 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 587794415 MWAPOFGSASXGDZ-FVINQWEUSA-N 433.277 3.335 0 1 IGAF O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 1772618108 FOHPUTJLYOJXHD-VXKWHMMOSA-N 435.524 3.095 0 1 IGAF COc1ccccc1CN=c1[nH]c(Nc2ccc(N3CCN(C)CC3)cn2)ncc1Cl 1911574016 RRLQCJAXXYKHSZ-UHFFFAOYSA-N 439.951 3.063 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C[C@H]2[C@@](O)(CC=C3C[C@@H](O)CC[C@@]32C)[C@]2(O)CC[C@H](C(C)=O)[C@@]12C 2356576211 RJYUVBGYHLGKAH-OVQKNREGSA-N 446.584 3.233 0 1 IGAF COc1ccc(OC)c(CN2C(=O)COc3ccccc3[C@@H]2c2nnnn2C2CCCC2)c1 203465583 DNTHGEPQINATHE-HSZRJFAPSA-N 449.511 3.316 0 3 IGAF COCCn1c(=NC(=O)c2nc3ccccc3s2)sc2cc(S(C)(=O)=O)ccc21 254570167 AOJSCWKSOJMOIS-UHFFFAOYSA-N 447.563 3.104 0 3 IGAF COc1ccc(-c2ccc(N3C[C@@H](CNC(C)=O)OC3=O)cc2C(F)(F)F)ccc1=O 1485702 KLUVCLVZGZNHBB-OAHLLOKOSA-N 436.386 3.203 0 1 IGAF CCOC(=O)[C@@H](Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1)NC(=O)C(F)(F)F 31905560 QQLGGJVWQHSYBP-QGZVFWFLSA-N 439.386 3.067 0 1 IGAF COc1ccc([C@@H]2C(C(=O)N3CCOCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@@H]32)c(OC)c1 35111073 ZTOHLOBXUGOMDN-DHIUTWEWSA-N 440.540 3.380 0 1 IGAF Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCc3ccccc32)cc1 43527571 UEKHESCWLXFDCJ-YPAWHYETSA-N 425.598 3.046 0 1 IGAF biogenic CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](C)C(=O)N3CCCNCC3)co2)cc1 82070625 CDJBZXZCHVSSIP-SFHVURJKSA-N 442.560 3.241 0 1 IGAF O=C(c1coc(-c2ccc3ccccc3c2)n1)N1CCC[C@H](C(=O)N2CCCNCC2)C1 82081458 XIWVEJXEKCYYBS-NRFANRHFSA-N 432.524 3.169 0 1 IGAF CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@@H](CO)N3C)cc1 95877399 UPHFDVAFUAXKMK-ZTCOLXNVSA-N 433.552 3.166 0 1 IGAF O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1F 95894526 ZPDCCBMYJGFFFY-FDFHNCONSA-N 432.455 3.242 0 1 IGAF COc1ccccc1N1CCN(CCCCOc2ccc3c(CO)cc(=O)oc3c2)CC1 96929507 XNXXRSKVPRVXAO-UHFFFAOYSA-N 438.524 3.275 0 1 IGAF Nc1nc(OCc2ccccc2)nc2c1NC(=O)CN2Cc1cccc(CN2CCCC2)c1 96932474 PXCGJFJTVGXWDM-UHFFFAOYSA-N 444.539 3.192 0 1 IGAF O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(F)n1 140951941 MQIKJQQQDIIXLP-SHTZXODSSA-N 425.439 3.473 0 1 IGAF CO[C@@H]1/C=C/C=C\C=C/C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O[C@@H](C[C@@H](C)O)C1 169293524 SZPWNRYGTQYOLD-NYVNBSLJSA-N 432.557 3.317 0 1 IGAF COCn1c(CC(COCc2ccccc2)COCc2ccccc2)c(C)c(=O)[nH]c1=O 169353935 OKPHWQJUVZKYFF-UHFFFAOYSA-N 438.524 3.041 0 1 IGAF COC1CCC2(CC1)Cc1ccc(-c3cc(F)cc(C#N)c3)cc1[C@]21N=C(N)N(C)C1=O 201225801 JAQCSMCTZXZVEU-LRARRHDQSA-N 432.499 3.478 0 1 IGAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(S(N)(=O)=O)cc3)c2F)cn1 212178769 JSYQXRUOIIBGPI-UHFFFAOYSA-N 428.489 3.359 0 1 IGAF Ic1ccc2nc(-c3nccnc3I)[nH]c2c1 587186892 YLICLFRTAVVZOU-UHFFFAOYSA-N 448.005 3.229 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(COC(=O)C(C)(C)C)nn2)N1 587759956 NAZIESGBJYZFPC-QFYYESIMSA-N 425.302 3.350 0 1 IGAF CCOC(=O)CN1C(=O)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587769578 ODEYQQKLSDJJQO-GTJPDFRWSA-N 447.304 3.276 0 1 IGAF COc1ccc2oc(N)c([C@@H]3c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N34)c(=O)c2c1 962628593 CNMCHJZJKYGLPB-CPJSRVTESA-N 445.475 3.120 0 1 IGAF CC(C)(C)OC(=O)N1C(=O)C[C@@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)C1(C)C 962761917 IDRNTILROBCCIX-VLIAUNLRSA-N 426.435 3.474 0 1 IGAF Cc1c(S(=O)(=O)Nc2ccc(CO)cc2S(C)(=O)=O)sc2ccc(F)cc12 13587578 FSBUSUKVSNLYOP-UHFFFAOYSA-N 429.516 3.045 0 1 IGAF CCOC(=O)[C@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(F)cc1 35049994 YDOHGGDCAQRASN-LJQANCHMSA-N 428.441 3.129 0 1 IGAF CCN(Cc1ccccc1)C(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc(F)cc1 82141757 DSSSNNMMSAJUSY-UHFFFAOYSA-N 435.503 3.493 0 1 IGAF CC1=CC(=O)O[C@@H]1CC[C@H](C)C(=O)[C@]1(O)C2=CC(C)(C)O[C@]2(O)[C@H](C)[C@@H]2CC[C@@H](C)[C@H]21 85996657 CZSWARCYWCYVPW-PIOWVYJMSA-N 432.557 3.310 0 1 IGAF biogenic O=C(NCCCNc1nc(Nc2ccc(-n3cncn3)cc2)ncc1C1CC1)C1CCC1 95561344 UNJQFYGCPVIKPA-UHFFFAOYSA-N 432.532 3.397 0 1 IGAF C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@@H]1CN(C)Cc1ccccc1 95664559 GITVYJRSHAAVMX-YCRNBWNJSA-N 425.573 3.105 0 1 IGAF C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(NC(C)=O)cc4)nc32)c1 96933671 JIJDVLXBQGQRQM-UHFFFAOYSA-N 441.451 3.002 0 1 IGAF Cn1c(N2CCC[C@H](c3ccc(N4CCCC4)cc3)C2)nc(-c2ncncc2F)cc1=O 143401904 LAJZWJRXRVTCNU-SFHVURJKSA-N 434.519 3.361 0 1 IGAF CN(C)CC(=O)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 147527824 NPYCPPZRANRUIH-UHFFFAOYSA-N 432.929 3.365 0 1 IGAF Cn1cc(S(=O)(=O)Nc2ccc(-c3ccc4c(N)n[nH]c4c3)cc2)c(C(F)(F)F)n1 299826296 YWPBWBZJWNDYMG-UHFFFAOYSA-N 436.419 3.365 0 1 IGAF O=C1CCC(c2ccccc2)(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC1 586877885 UWWZCZQZQFTYMS-UHFFFAOYSA-N 439.537 3.013 0 1 IGAF O=S(=O)(NCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc2c(c1)OCCO2 586942714 ZVACKBIMJODXGP-UHFFFAOYSA-N 447.822 3.485 0 1 IGAF O=S(=O)(c1cc(-c2nc3cnnc(O)c3[nH]2)ccc1Cl)N1CCc2ccccc21 586956826 VCTSGUULONJTFJ-UHFFFAOYSA-N 427.873 3.130 0 1 IGAF Nc1nc(Cl)c([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(N2CCOCC2)n1 962696849 GWYQHXCCIIMZDD-FZKQIMNGSA-N 449.983 3.141 0 1 IGAF COCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(Cl)cc3)C(C)(C)O)ncc12 1772574408 HNSCJTBFQSUVQI-KRWDZBQOSA-N 433.896 3.270 0 1 IGAF C[C@H]1CO[C@@H](c2ccc(=N)[nH]c2)CN1C[C@H]1C[C@H]1CCNC(=O)c1cc2ccccc2[nH]1 1857581749 JQBHQHNVJCDNEL-PYDOFHOQSA-N 433.556 3.193 0 1 IGAF COc1cccc(C2CCN(CCc3cnn(-c4nccc5c(O)ncnc45)c3)CC2)c1 1857590681 VCITXXCATLNLDE-UHFFFAOYSA-N 430.512 3.347 0 1 IGAF O=S(=O)(NCCNC/C=C/c1ccc(-c2cccnc2)cc1)c1ccc2c[nH]nc2c1 1857595371 WNMQXKGHTAYKTN-HNQUOIGGSA-N 433.537 3.206 0 1 IGAF O=C(CN1CCOCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 1857758334 SAGHGQPVPDHSSM-UHFFFAOYSA-N 442.317 3.407 0 1 IGAF Cc1cc(Nc2nn(C3CC3)c3cnc(S(=O)(=O)N4CCC(O)CC4)cc23)ccc1F 1911585150 NHVHGDRBXMPBEK-UHFFFAOYSA-N 445.520 3.103 0 1 IGAF CCCC(=O)O[C@@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@H]1OC(=O)CCC)[C@H]23)OCO5 2356333897 XFPKJBMPXIIKGU-DLTYFMDKSA-N 427.497 3.451 0 1 IGAF O=C1[C@H]2C3c4ccccc4C([C@@H]2C(=O)N1c1ccccc1)[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 17193292 VOAQZUPZPIBDPI-SATBIADZSA-N 448.478 3.493 0 1 IGAF O=C(O)C[C@@H](NC(=O)c1ccc(Cl)cc1NC(=O)OCc1ccccc1)C(=O)CF 28825314 LKYDZLNBQNYAIT-MRXNPFEDSA-N 436.823 3.200 0 1 IGAF COc1ccc(CN([C@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 29129371 ANSGENIAQXWYPA-IBGZPJMESA-N 440.924 3.347 0 1 IGAF CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@]23C=C[C@]2(C[C@H](O)CC[C@@]12C)[C@H](C(=O)O)[C@@H]3C(=O)O 33363599 NEZTUQCJKXTWFV-MYDPUDAESA-N 428.525 3.447 0 1 IGAF CC(C)C[C@H](NC(=O)[C@@]1(Cc2ccccc2)CCN1C(=O)OCc1ccccc1)C(N)=O 66112389 CRCFBPNNBWZSBL-OFVILXPXSA-N 437.540 3.027 0 1 IGAF COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/C1(COc2ccccc2)OCCO1 95786287 HABBPJCMMSFYJB-RNNIOXLGSA-N 446.540 3.012 0 1 IGAF COc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)C5CCCCC5)CC(=O)N4[C@H]3CO)cc2)c1 95866286 JYZIRKKXAOIGHT-RMTZWNOUSA-N 448.563 3.440 0 1 IGAF O=S(=O)(CC1CC1)NCc1cccc([C@H](Cc2ccccc2)CN2CCOCC2)c1 114245651 UXIOOCXFWZVFHA-XMMPIXPASA-N 428.598 3.175 0 1 IGAF NCC[C@H](C(=O)NCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 169348743 MCRKEINOVORXHG-AREMUKBSSA-N 442.607 3.427 0 1 IGAF Cn1cc(-c2cc3c(-c4ccc(Br)c(N5CCOCC5)n4)n[nH]c3cn2)cn1 205257395 DYAGKFLCPXLHPV-UHFFFAOYSA-N 440.305 3.020 0 1 IGAF O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC(CO)C2)c(-c2ccn[nH]2)c1 224428702 NSJACFBXQYPONP-UHFFFAOYSA-N 449.845 3.320 0 1 IGAF CC1=CC(=O)O/C1=C/[C@H](O)[C@@](C)(O)CC[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@@H]2CC[C@@]1(C)O 238769886 FFAXSQPCILRGAU-TWNUWJFNSA-N 436.589 3.230 0 1 IGAF O=C1CC2(CCN(c3c(Cl)cncc3-c3ccc(N4CCOCC4)cc3)CC2)CN1 299870044 VTLVEDXZTNTPGG-UHFFFAOYSA-N 426.948 3.345 0 1 IGAF C[C@H](Oc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O)c1ccccc1 377815875 TZTBMWCKAYZHJZ-NSHDSACASA-N 433.229 3.475 0 1 IGAF C[C@]1(c2ccc(S(=O)(=O)CC(=O)O)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506215 RBCLDQKPMYNMFO-JOCHJYFZSA-N 432.469 3.443 0 1 IGAF CCOc1ccc(-c2nn(C(=O)Nc3noc(C)n3)c(=O)c3ccccc23)cc1OCC 587668895 HZJJERVSQQXVHK-UHFFFAOYSA-N 435.440 3.633 0 1 IGAF Cc1cccc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)c1C 1857595670 AREKXOZJCMAGAI-GOSISDBHSA-N 445.541 3.080 0 1 IGAF CC1=C[C@H](CNS(=O)(=O)Cc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356307700 LRJONMLWMPKLCQ-ZRBLBEILSA-N 448.629 3.210 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C[C@H]2[C@@](O)(CC=C3C[C@@H](O)CC[C@@]32C)[C@]2(O)CC[C@@H](C(C)=O)[C@@]12C 2356576213 RJYUVBGYHLGKAH-YSQNEYPZSA-N 446.584 3.233 0 1 IGAF C[C@@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12NC[C@@H](CO)C[C@@H]2O 2356745925 FBKQAVWTYDQPAB-AXKNIVDQSA-N 447.660 3.310 0 1 IGAF CCN1CCC[C@@H]1CNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C 4035470 MXMYVPDXUFOFOA-LJQANCHMSA-N 443.551 3.400 0 3 IGAF O=C(NC(=O)c1ccccc1)Nc1ccc([S@@](=O)c2ncc(Br)cn2)cc1 34642840 GUALLGCDXJOMHQ-MHZLTWQESA-N 445.298 3.368 0 1 IGAF COc1ccc(-c2nc3ccc(NCc4ccccc4)nc3n(CCNC(C)=O)c2=O)cc1 40954513 RIXRJRRWRHENQZ-UHFFFAOYSA-N 443.507 3.215 0 1 IGAF O=C(c1cc(Cc2nnc(O)c3c2NCCC3)ccc1F)N1CCNC[C@H]1c1ccccc1 84671664 VYBRSTDIXMSCGM-QFIPXVFZSA-N 447.514 3.057 0 1 IGAF C[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc3c(c1)OCO3)C(C)(C)N(C)[C@H]2c1ccc(C(=N)N)cc1 89857736 DMANOKXYDMAICQ-NPYCQEQBSA-N 434.540 3.128 0 1 IGAF O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCc1ccc(F)cc1 95887195 CEWCLCSAKAWIOS-JLLPCOHGSA-N 448.579 3.022 0 1 IGAF CNS(=O)(=O)C12CC3C[C@@H](C1)C(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](C3)C2 101102717 LAWOOLSGJUVOSC-IYYAYNBDSA-N 440.993 3.110 0 1 IGAF O=C(COCC(=O)Nc1ccc(Cl)cc1C(=O)O)Nc1cccc(-c2cnco2)c1 115031621 FEYWPYROIWDMNL-UHFFFAOYSA-N 429.816 3.287 0 1 IGAF O=C(Nc1nc2ccc(F)cc2s1)N1CC=C(c2ncc([C@H](O)CO)cc2F)CC1 141066778 ATJXJSNJECXNNM-MRXNPFEDSA-N 432.452 3.316 0 1 IGAF 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0 1 IGAF Cc1ccc(C(=O)CSc2nnc(CN3NC(c4ccccc4)=CCC3=O)n2C)cc1 957856796 MQBYZHXBWWZQFA-UHFFFAOYSA-N 433.537 3.377 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2c(F)cccc2F)NCCc2cc3cccc(OC)c3nc21 963062859 XSURAMNVSHLJCQ-DEOSSOPVSA-N 440.446 3.433 0 1 IGAF CCC(CC)CN=c1c(C(N)=O)c[nH]c2ccc(-c3ccc(CS(C)(=O)=O)nc3)cc12 1857594955 NOIZUISCJNBDFJ-UHFFFAOYSA-N 440.569 3.210 0 1 IGAF CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(=O)oc2ccc(C)cc12 1857746676 AVUYJXPQRCEVLG-IBGZPJMESA-N 445.427 3.466 0 1 IGAF CC1=CC(=O)O[C@@H]1CC[C@]1(C)O[C@]2(CC(C)C)O[C@@H]3C[C@H](C)[C@@H]4C(=O)[C@@H]1[C@@]2(O)[C@H](C)[C@H]43 2356401160 VGGDLZPNGMJOKK-LPWQCPFNSA-N 432.557 3.407 0 1 IGAF C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)[C@H](O)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@H]1C3 2356720366 YMGGKEHLQJSJSU-GCTXTZAYSA-N 430.541 3.371 0 1 IGAF CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)C1 4296195 OELKGHXKPHEUNY-ZRCAFCQKSA-N 429.879 3.308 0 1 IGAF CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cc(OC)ccc1OC 4500157 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N[C@H]1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2[C@H]1Cc1ccccc1Cl 143303902 OVOTWUXYGISXHK-IRLDBZIGSA-N 434.989 3.400 0 1 IGAF O=S1(=O)N(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)CCN1C1CCCC1 149370339 XPVBJJRYAZHWNY-SFHVURJKSA-N 449.523 3.239 0 1 IGAF CCCOc1ccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCCn2ccnc2)cc1 169687257 IZGJFVXJTPUZPD-RTWAWAEBSA-N 435.480 3.307 0 1 IGAF CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cccc(O)c1 299880265 LZZJGXGLOBZCIH-NKHOYCFXSA-N 443.496 3.425 0 1 IGAF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3c(O)nc(O)nc3[nH]2)cc1OC 587056612 JTYUIGFZAPDSMF-UHFFFAOYSA-N 441.831 3.354 0 1 IGAF CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 587597433 UMXPMEFKBSOFEO-BVTLZKPXSA-N 437.492 3.434 0 1 IGAF CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599244 WQIXNCZWVOOZPE-NRBNPPADSA-N 440.448 3.245 0 1 IGAF COc1nc(N)nc(N2CCCC2)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587765554 KABZNSNKHUINAR-QFYYESIMSA-N 436.329 3.193 0 1 IGAF CCOC(=O)[C@]1(C[C@H]2OCCc3ccccc32)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963237786 UOVNVGSPYRQBQN-JQYIIUTOSA-N 446.503 3.296 0 1 IGAF COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCC1CCNCC1 1772625121 VVPOIPJZXXIMKU-UHFFFAOYSA-N 431.606 3.345 0 1 IGAF Cc1cccc([C@@H](CO)NC(=O)c2ccc(-c3cc(-c4cnnn4C)cnc3N)cc2F)c1 1772633325 SRURPYCNSXAQHN-OAQYLSRUSA-N 446.486 3.037 0 1 IGAF CC1(C)CN(C(=O)NCc2ccccc2)C[C@H]2CN(C(=O)Nc3ccc(F)cc3)CCN21 2356423643 JEGZSBUQEHHKMX-OAQYLSRUSA-N 439.535 3.348 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C[C@H]2[C@@](O)(CC=C3C[C@@H](O)CC[C@@]32C)[C@@]2(O)CC[C@@H](C(C)=O)[C@@]12C 2356576212 RJYUVBGYHLGKAH-WNNGAPMSSA-N 446.584 3.233 0 1 IGAF O=C(NC[C@H]1CCCO1)[C@H]1CCCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)C1 8017473 LOROWHOBQMIPAH-NZQKXSOJSA-N 433.556 3.170 0 3 IGAF COc1ccc(CCCNC(=O)[C@@]2(C)Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cc1 61907339 LNFCSBUGOFBKML-AREMUKBSSA-N 445.519 3.299 0 3 IGAF CCc1ccc([C@H]2CN3C(=O)CN(CCCO)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 2131949 RJCLXWHRZQOTIH-FQRUVTKNSA-N 431.536 3.144 0 1 IGAF biogenic CCOC(=O)C1CCN(Cc2cc3c(cc2-c2ccc(S(C)(=O)=O)cc2)OCO3)CC1 13530479 DUMCBQPYWIEMCA-UHFFFAOYSA-N 445.537 3.261 0 1 IGAF O=C1/C(=C/c2cccc(F)c2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 13652308 JTLUOQLFUGTSII-OTTQQLOBSA-N 447.506 3.358 0 1 IGAF COCC(COC)Nc1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br 13794790 CLSCVCVRBTWJGR-UHFFFAOYSA-N 449.353 3.478 0 1 IGAF Cc1cccc(-c2c(C(=O)N[n+]3c(C)cc(C)cc3C)[nH]c3ccc(S(N)(=O)=O)cc23)c1 40893158 VDGJMVWFIKQWDZ-UHFFFAOYSA-O 449.556 3.387 0 1 IGAF CC(C)Oc1ccc([C@H](CC(=O)O)NC(=O)CCC(=O)Nc2ccc3c(c2)CNC3)cc1 62224201 PFXLKKGAWOLVNE-NRFANRHFSA-N 439.512 3.128 0 1 IGAF Cn1nc(-c2ccccc2)c2c3c(c(=O)[nH]c21)CN(C(=O)COCc1ccccc1)CC3 82196051 AIBFJDQHDXNYGK-UHFFFAOYSA-N 428.492 3.030 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)NC[C@H]1C 95680013 XIYJWSRTRLXHAA-JLHGSKIFSA-N 425.529 3.033 0 1 IGAF O=C(Cc1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO 95866097 UKYDEORRERRMRS-ONBPZOJHSA-N 426.516 3.094 0 1 IGAF O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 95866328 XBPXBLFNMMBNOE-VDKIKQQVSA-N 430.479 3.304 0 1 IGAF CC(=O)O[C@@H]1[C@@H](OC(C)=O)C23CCC(CC2)C[C@H]3[C@@]23CCC[C@@](C)(C(=O)N4CCO[C@H]42)[C@@H]13 95918723 GZHPXFIYJDGMKK-AVTDQFBOSA-N 445.556 3.051 0 1 IGAF biogenic,in-vitro CC(C)Cc1ncc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2C)n1 96167430 ASYTUEZUJNGJTM-UHFFFAOYSA-N 429.488 3.257 0 1 IGAF C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(F)c2c(=O)n1-c1ccccc1 219863711 YVERZYXYCFMZNA-AWEZNQCLSA-N 442.454 3.246 0 1 IGAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC 299883824 SAUAEKCMUGQNDC-HFBFHVOCSA-N 426.513 3.319 0 1 IGAF CCOC(=O)[C@H]1[C@H]2CC[C@H]3C[C@@]4(CCC=C[C@H](CC)O4)N=C(N[C@@]14CCC[C@@H](C)O4)N32 377813757 TUPLOUKUQUZSMN-VKDXLEEUSA-N 431.577 3.488 0 1 IGAF CC1(C)OC(=O)C(c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)=C1N 587255649 UVQPHJKXMLVXLF-UHFFFAOYSA-N 432.889 3.022 0 1 IGAF CCOC(=O)CCOCCCOCCc1nc2cccc(I)c2[nH]1 587569906 SJMQRQWJNHJMGT-UHFFFAOYSA-N 446.285 3.087 0 1 IGAF COc1ccc2sc(NC(=O)Cn3cc(C(=O)C(=O)NC4CC4)c4ccccc43)nc2c1 1857750769 FOZGGGYEVZUWCI-UHFFFAOYSA-N 448.504 3.360 0 1 IGAF C[C@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)C1(c2ccccc2)CCCC1 61897845 VZFNTXDZOVXFER-HXUWFJFHSA-N 432.567 3.056 0 3 IGAF O=C(CC(=O)N1CCCc2ccccc21)Nc1ccc2nc3n(c(=O)c2c1)CCCCC3 8931708 STWVEFWIQSKPTP-UHFFFAOYSA-N 430.508 3.431 0 1 IGAF Cn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@]14CCN(CC1CC1)[C@@H](C5)[C@]4(O)C3)CCCC2 26145518 FFTBXBGJNXJGQT-QHWQHVLLSA-N 432.564 3.309 0 1 IGAF CN(C)CCO[C@H]1OC[C@H](Cc2ccc3c(c2)OCO3)[C@@H]1Cc1ccc2c(c1)OCO2 28356989 UBTZIBNJIZJWIK-JXQFQVJHSA-N 427.497 3.096 0 1 IGAF CCSC[C@H]1C[C@](O)(c2cn(S(=O)(=O)c3ccc(C)cc3)c3ccccc23)C(=O)O1 29038262 QLBXWOOOPDBBRD-ZHRRBRCNSA-N 445.562 3.443 0 1 IGAF O=S(=O)(c1ccccc1)N1CCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@]2(CO)C1 29128158 SXSIVGSTMFKFCH-HSZRJFAPSA-N 439.512 3.024 0 1 IGAF COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccc(C)cc2)C(C#N)(C#N)[C@@H]1c1ccc(C)cc1 39290185 RCYDOYBLNPYQIY-ZDNVTZCJSA-N 444.487 3.366 0 1 IGAF COc1ccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@H](c2ccc(C4=CCCC4)cc2)[C@@H]3CO)cc1 95866695 IPPKAUYPGZFFKS-CUYJMHBOSA-N 447.535 3.466 0 1 IGAF CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nnc(-c3ccc4c(c3)OCCO4)o2)CC1 95872158 FMOPFYCHCAULKH-UHFFFAOYSA-N 430.461 3.093 0 1 IGAF CC(C)n1nc(N)nc1-c1nc2c(s1)CCOc1cc(-c3cnn(CCO)c3)ccc1-2 96269645 JYBBRWIADLMZMN-UHFFFAOYSA-N 437.529 3.022 0 1 IGAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NCCN2CCOc3cc(Cl)ccc32)CC1 101441335 QJNWRJUSZWSUDA-MAEOIBBWSA-N 430.014 3.015 0 1 IGAF O=C(c1ccccc1)c1ccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 586941890 PBJRAKBZTKCCFW-UHFFFAOYSA-N 449.488 3.044 0 1 IGAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(I)cnc2[nH]1 587194092 LEYGKVBPEIZLBO-LLVKDONJSA-N 445.305 3.080 0 1 IGAF CN[C@@H](C)C(=O)Nc1cc(-c2c(C)ncnc2C)cc(NC(=O)c2ccc(Cl)cn2)n1 1772607219 VMDYIGXFARKGRU-ZDUSSCGKSA-N 439.907 3.003 0 1 IGAF COc1ccc(Cn2cc(CNC(=O)c3cn4c(n3)sc3ccccc34)nn2)cc1OC 1772608749 BUNWDSKPVZQTKF-UHFFFAOYSA-N 448.508 3.136 0 1 IGAF Cc1nc2sc(C(=O)NCCc3ccc(N4CCNCC4)cc3)c(N)c2cc1C1CC1 1857611729 VWQMGXXOVYSXFV-UHFFFAOYSA-N 435.597 3.446 0 1 IGAF CC(C)(O)C=CC[C@](C)(O)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 2356800876 REVFMDKHADKHIU-DBRDIKKSSA-N 448.644 3.336 0 1 IGAF CN1C(=O)NC(=O)[C@]2(CC3=Cc4ccccc4N[C]3N3[C@H]4CC(C)(C)C[C@@](C)(C4)[C@@H]32)C1=O 2356827544 CUURQFAJTHLSTQ-AERNUZQLSA-N 433.532 3.352 0 1 IGAF CC=C(C)C(=O)OC(C)(C)[C@]1(CC2=CN[C@H](N)C=C2)Cc2cc3ccc(=O)oc3cc2O1 2356873842 YJHMWPBNRCOVRE-OFVILXPXSA-N 436.508 3.473 0 1 IGAF CCn1c(=O)c(CCC(=O)NC[C@H]2CCCO2)c(C)c2c(C)nn(-c3ccc(C)cc3)c21 15936571 WCTYZDNVGMFVER-HXUWFJFHSA-N 436.556 3.360 0 3 IGAF COc1ccc([C@@H]2C(C(=O)N3CCOCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@H]32)c(OC)c1 6507094 ZTOHLOBXUGOMDN-PKTZIBPZSA-N 440.540 3.380 0 1 IGAF CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5 14951970 OIJXLIIMXHRJJH-DNGMLACHSA-N 425.569 3.388 0 1 IGAF N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(O)c1)C(c1ccccc1)c1ccccc1 25967982 JSMLVEIFZKFEAG-ZCYQVOJMSA-N 443.547 3.159 0 1 IGAF O=C(S[C@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc(F)cc1)c1ccccc1 27309684 NXIPMBCZAZWEQB-ZWKOTPCHSA-N 429.469 3.416 0 1 IGAF C[C@H]1[C@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c2c1Cl 27423705 MGBPVANPCHUGII-RMLUDKJBSA-N 437.805 3.295 0 1 IGAF O=C(Nc1cc[n+]([O-])cc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 28012246 MZNHDUYXFFIZHG-QHCPKHFHSA-N 449.942 3.406 0 1 IGAF Cn1nnnc1-c1cccc(NC(=O)NCC2CCN(CCc3ccc(F)cc3)CC2)c1 28339174 HGRVCOFNGKRLBI-UHFFFAOYSA-N 437.523 3.092 0 1 IGAF COc1ccccc1N1CCN(CCCN2C(=O)N[C@](c3ccccc3)(C3CC3)C2=O)CC1 49088084 RDTLVFVORPQDDQ-AREMUKBSSA-N 448.567 3.065 0 1 IGAF CC(C)[C@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCCCN1CCCC1 82082460 NBOYGSANLJLQDQ-IBGZPJMESA-N 429.590 3.243 0 1 IGAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCCC3)N(Cc3ccccc3)[C@@H]21 95879862 FGNUGVLPHSMYFW-JAJUBALQSA-N 447.579 3.104 0 1 IGAF CCOC(=O)[C@@]12[C@H]3C=C[C@@H](CC3)[C@]1(C(=O)c1ccccc1)C(=O)C(=O)N2c1ccccc1 102979506 JUMRKJSOTYPWAU-KBFVSZBXSA-N 429.472 3.370 0 1 IGAF O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)c1cccs1 195419193 AZVWOTWGCYDHKK-BLDHALOPSA-N 440.908 3.449 0 1 IGAF C[C@@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccc(Cl)cc1 205048456 WNCMCKUNOCFBER-OUZNOSRWSA-N 437.891 3.310 0 1 IGAF Cc1cc(Br)c2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1 586942474 MKAUEBOCRCXHQW-UHFFFAOYSA-N 429.727 3.203 0 1 IGAF O=S(=O)(Cc1nc2cc3c(cc2[nH]1)OCCO3)Nc1ccc(N2CCCCC2)cc1 586951468 WALTUJTXZLUZLB-UHFFFAOYSA-N 428.514 3.266 0 1 IGAF Cc1csc([C@](O)(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)C(F)(F)F)n1 587093905 HYIBUZNIJJGFOF-GOSISDBHSA-N 426.464 3.153 0 1 IGAF Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2C1=O 587563323 RFOLULBEUFHBMS-RBUKOAKNSA-N 427.416 3.294 0 1 IGAF CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587744941 DMCNDYDCEHUAFP-KNMUDHKVSA-N 441.341 3.317 0 1 IGAF CCOC(=O)c1cc(OCC)n(-c2cc(C(=O)O)ncc2Br)c1OCC 587938806 BNDMSLBDHNBRHV-UHFFFAOYSA-N 427.251 3.307 0 1 IGAF Nc1nccc(-c2cn(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c3ncccc23)n1 1772580631 SZGICKGVCSYKMD-UHFFFAOYSA-N 435.387 3.211 0 1 IGAF COc1cc(CCn2cnc3sc(C(=O)N4CCSC4)c(C)c3c2=O)cc(OC)c1 1857545719 BJEXNDQRGPOOCF-UHFFFAOYSA-N 445.566 3.173 0 1 IGAF COc1cc(-n2c3c(c4nc[nH]c(=N)c42)CCC3)ccc1NC(=O)Cc1ncc(C)cc1F 1857605498 AHFZJZIJTJSEES-UHFFFAOYSA-N 446.486 3.354 0 1 IGAF CN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2C)[C@H]2CCCc3cccnc32)CC1 1857746812 RHSXOHDQPQXKJI-SXOMAYOGSA-N 447.671 3.455 0 1 IGAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](CN3C(=O)C3CCOCC3)Oc3ccccc32)cc1 2356302434 VJYLZCWCKHTWJX-RBBKRZOGSA-N 436.508 3.017 0 1 IGAF COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)C[C@@H]2CC[C@H]1N2C(=O)NCCO 36384306 NOYRLHLNQQJMFE-XHDPSFHLSA-N 432.826 3.224 0 3 IGAF CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2cccc(C)c2C)CC1 95566449 NIJZAQQVGMUHPJ-FQEVSTJZSA-N 434.544 3.324 0 3 IGAF O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)c1ccc(Cl)s1 13673218 MAOZUYDDGGFCKF-ZDUSSCGKSA-N 439.896 3.132 0 1 IGAF N=C(N)NCCC[C@@H](NC(=O)c1ccc(-c2cccc3c2oc2ccccc23)o1)C(=O)O 28707144 BBXRNOGBZXRXGU-MRXNPFEDSA-N 434.452 3.292 0 1 IGAF CC(C)c1ccc2c(CNC(=O)CNS(=O)(=O)c3ccccc3)cc(C(=O)O)c-2cc1 29405330 KYCGILYIUBZEPU-UHFFFAOYSA-N 440.521 3.208 0 1 IGAF CN(Cc1cc2ccccc2n1C)C(=O)/C=C/c1cnc2c(c1)CC1(CCNCC1)C(=O)N2 45260988 JMNNUBSJEUEKKR-BQYQJAHWSA-N 443.551 3.110 0 1 IGAF CN1CCc2nc(C(=O)N3CCC[C@@H](CNC(=O)c4ccc(Cl)s4)C3)sc2C1 66073870 AQVYWNBOLPUAFC-LBPRGKRZSA-N 439.006 3.128 0 1 IGAF CC(C)[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N[C@H]1CCCCNC1=O 82082033 WJVKFDBBQJKVSU-DOTOQJQBSA-N 448.976 3.003 0 1 IGAF NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccccc3F)n2)C1 82217130 BNJURTMCXJGSLP-QGZVFWFLSA-N 439.535 3.295 0 1 IGAF C=C1O[C@H](c2ccccc2)C2=C1C(O)=C[C@@H]1C(=O)c3c(O)c(O)c(O)c(OC)c3C(=O)[C@H]21 85602039 LGYZYFLRCUUEPK-SQTLIZPKSA-N 434.400 3.461 0 1 IGAF biogenic CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)NC[C@@H]1C 95692408 ULFQVHHILZHREN-WJONJSRFSA-N 443.519 3.172 0 1 IGAF CC(=O)O/N=C1C(=C2/C(=O)Nc3cc(Br)c([N+](=O)[O-])cc32)/Nc2ccccc2/1 100374925 RXXZLIIVHLKXCC-HPBPSMLHSA-N 443.213 3.413 0 1 IGAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(O[C@H]4COC[C@@H]4O)ccc3Cl)nnc12 145778773 BMHAOZUJNXVLNI-OALUTQOASA-N 437.887 3.317 0 1 IGAF NC(=O)c1cccc([C@@H]2C[C@@H]3CC[C@H](C2)N3CCN(Cc2ccccc2)C(=O)C2(O)CC2)c1 166822309 WVTRMKFTXUIUBG-BKFWDETESA-N 447.579 3.050 0 1 IGAF COc1cc2oc(-c3cccc(OC(=O)N4CCOCC4)c3)cc(=O)c2c(O)c1OC 299862869 KESHOXXPTJLCDG-UHFFFAOYSA-N 427.409 3.014 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)CO)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 299873780 AHZPOZKPNDCNGW-SXSPYAJSSA-N 440.540 3.376 0 1 IGAF COc1cc(Br)c([C@H](N)c2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1OC 586977146 YGOUODZEGKPMSM-NSHDSACASA-N 432.200 3.151 0 1 IGAF COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCc1ccccc1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443258 NBSNNBWKGNXUQN-LRYHZEFKSA-N 436.460 3.124 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCC(=O)O)(c1ccccc1F)CC2=O 587467473 SLADNDMEYDUBAO-QHCPKHFHSA-N 429.444 3.326 0 1 IGAF Cc1nn(C)c(SCC(=O)O)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612966 LVCBFQCSKMJYQA-PXNSSMCTSA-N 426.450 3.314 0 1 IGAF CCOc1ccc(-c2nn(C(=O)CN3CCCC3=O)c(=O)c3ccccc23)cc1OCC 587670245 QRVMOGYGNUANKP-UHFFFAOYSA-N 435.480 3.124 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cc(C(=O)O)nn2)(C(C)(C)C)N1 587759645 LQVMWJLCODSFGU-YPMLDQLKSA-N 425.302 3.354 0 1 IGAF CC(=O)[C@H](O)[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@@]12NCCc1c(C)ccnc12 963086834 JGTJXVZSWLGIHB-PSELDJGJSA-N 442.515 3.048 0 1 IGAF Oc1nc(N2CCOCC2)nc(N[C@H]2CCCC[C@@H]2O)c1-c1nc2ccccc2s1 1772597977 XKLORZKESRVPEZ-ZFWWWQNUSA-N 427.530 3.011 0 1 IGAF Cc1c(OC2CN([C@H](C)c3nc(O)c4cnn(C5CCOCC5)c4n3)C2)ccc(F)c1F 1772616810 BSEQECIXWMDDIS-CYBMUJFWSA-N 445.470 3.294 0 1 IGAF COc1cccc(-c2cc(Nc3cc(O)cc(O)c3C(=O)N3Cc4c[nH]nc4C3)n(C)n2)c1 1857539604 OYDBYYYNYWYNIS-UHFFFAOYSA-N 446.467 3.130 0 1 IGAF O=C(O)c1cc(C2CC2)cc(NS(=O)(=O)c2cc(Br)ccc2O)c1O 1857571719 LYWDFIFQOBDOLA-UHFFFAOYSA-N 428.260 3.237 0 1 IGAF COC(=O)[C@@H]1C=CCON2CCc3c(n(S(=O)(=O)c4ccccc4)c4ccccc34)[C@@H]12 5836379 KDKJPSCEPZYYDT-TZIWHRDSSA-N 438.505 3.068 0 1 IGAF O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@@H]1[C@H]3C(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 13369799 MOQVDTSHLRPFHO-JYTHNSPOSA-N 431.532 3.359 0 1 IGAF Cn1nc2c(c1-c1ccc(F)cc1)CN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)CC2 14948965 GRHMRHNIZJJFEZ-GOSISDBHSA-N 428.458 3.349 0 1 IGAF O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1cccs1 36385967 KMVQWJNMUDCRIJ-SLDRDFCHSA-N 440.908 3.449 0 1 IGAF CNC[C@H](O)Cn1c2ccc(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O 40392920 AKRLJMPQUMPSSS-ZDUSSCGKSA-N 449.894 3.284 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@H](C)NC[C@@H]1C 95679198 UUJUQZMUGCCRQO-PNLZDCPESA-N 446.592 3.234 0 1 IGAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@H]23)cc1 95874777 PKTKXGGQIIBWIG-IJZKVLOXSA-N 444.572 3.472 0 1 IGAF O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@H](CO)O1)c1cc(Cl)cc(Cl)c1 95903448 BEXHONHOIJOFFZ-QYZOEREBSA-N 443.371 3.328 0 1 IGAF NC(=O)[C@@H]1CCCN1CCn1c(=O)nc(-c2ccccc2)c2oc3ccc(Cl)cc3c21 96910000 JTGYMZWEWLSGMM-KRWDZBQOSA-N 436.899 3.413 0 1 IGAF COc1cccc(-n2c(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)nc3nnc(C)c-3c2N)c1 103623333 PIOLWFFBMPHLLE-KBPBESRZSA-N 440.573 3.263 0 1 IGAF COc1ccc(C(=O)Nc2ccc(F)c([C@]3(CF)C[C@@H](C(F)(F)F)OC(N)=N3)c2)nc1 142597672 HHBMLXDPSJOPLK-MAUKXSAKSA-N 444.360 3.312 0 1 IGAF C[C@H]1C=CNC(n2nnc3c2CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)[C@@H]3C)=N1 226012787 FUXFJFICKFOAPF-WDEREUQCSA-N 438.841 3.419 0 1 IGAF C/C=C(\C)C(=O)O[C@H]1C[C@@](C)(OC(C)=O)[C@@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 238780356 WXAJADWYCXGFFJ-XKBWLUMOSA-N 448.512 3.036 0 1 IGAF C[C@@H](NS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587532490 NNHXZOXGILBXMO-XCLFUZPHSA-N 429.494 3.023 0 1 IGAF O=C1c2c(sc3c2CCCC3)N/C(=C/Cl)N1Cc1ccc2c(O)nc(O)nc2n1 587564378 QSIVDBFWDBBXDF-QPEQYQDCSA-N 429.889 3.482 0 1 IGAF COC(=O)c1cc([C@@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)ccc1OC 962642848 RLFRJOPNNFAONS-DYVFJYSZSA-N 425.359 3.069 0 1 IGAF CCOC(=O)CC[C@]1(c2ccccc2OC(C)=O)NC[C@H]2CC(=O)N(C)c3cccc1c32 963015980 BSEUYWWSYZXKJL-CRICUBBOSA-N 436.508 3.252 0 1 IGAF Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cccn3-c3ccc(C(=O)O)cc3)C2=O)cc1 8683277 OXLRXBDZTZNDME-DEDYPNTBSA-N 444.447 3.015 0 3 IGAF COc1ccc([C@@H]2Sc3cc(OC)ccc3N(CCN(C)C)C(=O)[C@H]2OC(C)=O)cc1 13650823 JPKGOUAUMXYVOE-VXKWHMMOSA-N 444.553 3.377 0 1 IGAF COCCN(CCOC)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1SC 13794925 VUGFSMBHPDZCSK-UHFFFAOYSA-N 430.578 3.463 0 1 IGAF COc1ncc(-c2ccc3c(Nc4cccc(C(=O)O)c4)c(C(N)=O)cnc3c2)c(OC)n1 72319546 HTIWSTZLJVBFSO-UHFFFAOYSA-N 445.435 3.250 0 1 IGAF in-vitro CCCCCCOc1ccc(-c2nc(C(=O)N[C@H](C)C(=O)N3CCCNCC3)co2)cc1 82070626 CDJBZXZCHVSSIP-GOSISDBHSA-N 442.560 3.241 0 1 IGAF Cc1cc(C)nc(NC(=S)N2CCN(c3ccc(Cl)cc3S(C)(=O)=O)CC2)c1 95570144 DCLLMXAKOMJWDV-UHFFFAOYSA-N 439.006 3.274 0 1 IGAF CNC[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@H]1C 95662843 NEAMIVWIATVNNI-IEGUWTFLSA-N 435.568 3.423 0 1 IGAF Cc1cccc(S(=O)(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3C(=O)c2ccccc2)c1 95894110 LSMGEOPFLFHPJR-KMDXXIMOSA-N 448.544 3.173 0 1 IGAF O=C(c1ccccn1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1F 95894529 ZPDCCBMYJGFFFY-BHDDXSALSA-N 432.455 3.242 0 1 IGAF CO[C@H]1[C@@H]([C@@H]2CC(=O)N(c3ccc(F)cc3)C(=O)N2c2ccco2)O[C@@H]2OC(C)(C)O[C@H]12 98081930 HMODFAGXJHIOSN-RSMUXPGISA-N 446.431 3.042 0 1 IGAF COC[C@H](C)Oc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103246826 NOPQNRGOWFWXMS-LJXGBKFNSA-N 436.574 3.078 0 1 IGAF COc1cc(N2Cc3cn(-c4ccc(Cl)cn4)nc3C2=O)ccc1OCC(C)(C)O 118222911 BURHWESRPJXPNR-UHFFFAOYSA-N 428.876 3.239 0 1 IGAF O=C(Nc1ccc([C@H]2CNCCO2)c(F)c1)c1cnn(-c2ccc(C(F)(F)F)nc2)c1 149940727 JRNWUZSLVCHRSS-QGZVFWFLSA-N 435.381 3.338 0 1 IGAF CC(=O)N(C)[C@@H]1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@@H]4C)C3)c(C)c2)C1 169299908 XPNGRYZHYABEFS-VLCRHTCISA-N 427.593 3.143 0 1 IGAF COc1ccc(OC)c([C@@H]2[C@H](C(N)=O)C(C)=Nc3nc(-c4cccc(Cl)c4)nn32)c1 169687493 QOPCMQCBYTVVCW-QZTJIDSGSA-N 425.876 3.413 0 1 IGAF O=C(c1cccc(C(F)(F)F)c1Cl)N1CCc2c(nnn2-c2ncc(F)cn2)C1 218412126 DHBIDMNRDQKQRD-UHFFFAOYSA-N 426.761 3.067 0 1 IGAF O=C(c1cccc(I)c1)[C@H]1CNC[C@@H]1c1ccc2c(O)ncnc2c1 584905635 GWAVIYJKLSHVMT-CVEARBPZSA-N 445.260 3.126 0 1 IGAF in-vitro CS(=O)(=O)c1ccc(C(=O)CCc2nc3c(F)cnc(Br)c3[nH]2)cc1 586926148 LIVRCEPCHILUOI-UHFFFAOYSA-N 426.267 3.079 0 1 IGAF O=C(O)c1cc(F)cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c12 587000275 PRHPUQBOQITJMO-UHFFFAOYSA-N 434.221 3.131 0 1 IGAF O=C(N[C@H](Cc1nc2cc(F)cc(Br)c2[nH]1)C(=O)O)OCc1ccccc1 587203519 RFJWXNASDNRDII-CQSZACIVSA-N 436.237 3.387 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3C[C@H](C)O[C@H](C)C3)nc3ccc(C)cn3c1=O)O2 587395315 PQIBDUZPVBPGKE-YRNRMSPPSA-N 448.523 3.214 0 1 IGAF COc1cc2c3c(c1)O[C@](C)(c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H](C2)C3=O 587450741 UQFAVQMWTUGDSX-BBATYDOGSA-N 428.293 3.312 0 1 IGAF O=C(CN1c2cccc3cccc(c23)S1(=O)=O)n1ncc2ccc(Cl)cc2c1=O 587653090 CIBBCOPUGKLWSL-UHFFFAOYSA-N 425.853 3.052 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 587794418 MWAPOFGSASXGDZ-SBKAZYGRSA-N 433.277 3.335 0 1 IGAF COCCOCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c2ccc(F)cc21 653741249 WFZUFOYTXBFJDY-UHFFFAOYSA-N 428.504 3.460 0 1 IGAF CC(C)(C)OC(=O)N1C(=O)C[C@@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)C1(C)C 962761918 IDRNTILROBCCIX-XOBRGWDASA-N 426.435 3.474 0 1 IGAF COc1ccc(C(=O)[C@]2(c3ccc(OC)cc3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963558027 ZKJFFFXLCCCWJV-BKMJKUGQSA-N 447.487 3.443 0 1 IGAF Cc1cc(-c2nc3cnc(N4CCOC[C@@H]4C)cc3n2Cc2ccccc2)cn(C)c1=O 1772580153 HPIVPCIQXDHMDK-SFHVURJKSA-N 429.524 3.379 0 1 IGAF OC[C@@H]1[C@H](O)C[C@H](NC2CCC(F)(F)CC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 2356320528 OYUPCMBUIMUOBE-CLAROIROSA-N 447.526 3.124 0 1 IGAF COc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2c(C)n[nH]c2C)cc1 9723121 HEWLLISTLYQZKF-UHFFFAOYSA-N 442.541 3.486 0 3 IGAF CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccccc1 61923446 DPPLRAYRWSWVAU-OAQYLSRUSA-N 425.573 3.484 0 3 IGAF NS(=O)(=O)c1ccc(NCc2cc(=O)oc3cc(Cl)ccc23)c(Br)c1 27734694 RKLWMCZBLWNDDT-UHFFFAOYSA-N 443.706 3.468 0 1 IGAF CC(C)CNC(=O)C1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1 28568667 FEQIPHBKOMDKNA-UHFFFAOYSA-N 446.551 3.138 0 1 IGAF O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1)NCC1CCCCC1 95603741 LWYACWLHCWNNJE-NEWJYFPISA-N 448.579 3.022 0 1 IGAF O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(Cl)cc1 95894699 KGAZZJOVSJKWCZ-ZLNRFVROSA-N 426.944 3.442 0 1 IGAF CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCCO)cc2ccccc21 101833753 XGECCXLAUKRJFF-WKCHPHFGSA-N 425.573 3.470 0 1 IGAF Cc1nc([N+](=O)[O-])cn1Cc1nn(CNc2ccc(Br)cc2)c(=S)o1 206872755 KYXPUSIZMQVFAC-UHFFFAOYSA-N 425.268 3.499 0 1 IGAF NC(=O)c1cc(-c2cnn(C3CC3)c2)c2ccc(CN3CCO[C@@H](C(F)(F)F)C3)cc2n1 221610831 IETDPLAEMJJGRZ-HXUWFJFHSA-N 445.445 3.295 0 1 IGAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCC[C@H](CO)C3)c2n1 223696764 UZBVOBHOQDHUPS-INIZCTEOSA-N 445.527 3.386 0 1 IGAF 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CC1=C[C@@H]2C=CC[C@H](C)C(=O)[C@](C)(O)C=C[C@H](O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@@H]1C 2356336927 TUOTYDFTSBXZFM-QINJTXKBSA-N 449.591 3.376 0 1 IGAF COC1=C(OC)[C@@H]2C(=C[C@@H]1OC)C[C@H](C)[C@](C)(O)CC1=C[C@H](OC)C(OC)=C(OC)[C@H]12 2356503796 SZKOFHQULAARMR-CELVZGQFSA-N 436.545 3.319 0 1 IGAF Cc1cc(NS(=O)(=O)C2CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)no1 103248919 HFVJZFXVBPWOTF-UHFFFAOYSA-N 432.329 3.265 0 3 IGAF CNC(=S)N(CCCOC)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 2487456 MVJCVUDSVFLGLF-MJGOQNOKSA-N 449.617 3.040 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 4204587 QYBBOYVJOOSRBJ-YVWKXTFCSA-N 427.526 3.024 0 1 IGAF C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NC[C@H](c1ccco1)N1CCCCC1)C2=O 6576775 RNIRNQSBSOEUSI-RHGYRFJNSA-N 444.576 3.060 0 1 IGAF CN(Cc1ccncn1)C(=O)[C@H]1CCCN(c2nc(-c3ccccc3)nc3c2CCC3)C1 11767791 UTKQJSUZNJSWGF-IBGZPJMESA-N 428.540 3.297 0 1 IGAF CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c(O)c2sccc21 38412642 GHZSVFYHAVWWNO-UHFFFAOYSA-N 433.511 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0 1 IGAF CC1(Cn2nc(-c3cnc(N)c(Cl)c3)cc2[C@@H]2[C@H]3CN(CC(F)(F)F)C[C@H]32)COC1 148067997 GNNKUOCNAWONBG-LAQFHYBYSA-N 441.885 3.425 0 1 IGAF O=C(CCCc1c[nH]nn1)NC1CCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1 150306102 NXQKBEDDAVWNCY-SNAWJCMRSA-N 436.343 3.255 0 1 IGAF Cc1cnn(-c2ccncc2N2CCN(C(=O)N(CCF)Cc3ccc(F)cc3)CC2)c1 209489611 ICBFYBZBVFDRIP-UHFFFAOYSA-N 440.498 3.429 0 1 IGAF Cc1ccc(-c2csc(Cn3nc(C[C@@H]4OCC(=O)O4)c4ccccc4c3=O)n2)cc1 209640171 HHFXQKCTUFMCKK-JOCHJYFZSA-N 433.489 3.319 0 1 IGAF O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3ccncc3)ccc1-2 219808769 WKQKHLXLAINLFD-LJQANCHMSA-N 440.459 3.142 0 1 IGAF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccnc(Cl)c3[nH]2)c1 586951397 LICWPLVLVUHCTM-UHFFFAOYSA-N 427.711 3.482 0 1 IGAF CN(C)C(=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 586951453 VJONGKFQPANYDP-UHFFFAOYSA-N 441.557 3.197 0 1 IGAF FC(F)(F)c1ccc(-c2nnn(Cc3nc4ccc(CN5CCOCC5)cc4[nH]3)n2)cc1 587113974 OWUICQXWHIQQIW-UHFFFAOYSA-N 443.433 3.116 0 1 IGAF 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CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC)C[C@H](C)[C@@H](OC)CN(C)C2=O 95688037 XSKPUOALZGMDOU-SPEDKVCISA-N 448.608 3.434 0 1 IGAF COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)c1 95797536 FBPIARHAZXJNRG-JBRSBNLGSA-N 434.536 3.050 0 1 IGAF Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)c1 95798048 BCKVPVVORVDOKW-BFLUCZKCSA-N 426.516 3.473 0 1 IGAF O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](F)(C3)C2 100065991 RUBWTVFAHWBQIP-QBCXPLLHSA-N 440.485 3.255 0 1 IGAF CCN(Cc1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1)c1ccccc1 140139069 DAZCIYMYHXRAFE-SNFJGFPHSA-N 441.531 3.411 0 1 IGAF COc1cc(OC)c2c(=O)cc(-c3ccc(OC[C@H](O)CN4CCCC4)cc3)oc2c1 169351484 SXOXQEVMSXLMMX-QGZVFWFLSA-N 425.481 3.313 0 1 IGAF C=[S@@](N)(=O)c1ccc(Nc2ncc(C(F)(F)F)c(N[C@@H]3CCC[C@H]3N(C)C)n2)cc1 169729137 BYWXXLZQYYXWME-VJEWJGBVSA-N 442.511 3.083 0 1 IGAF CC(C)CCOc1cc2[nH]c(-c3cc(S(N)(=O)=O)c[nH]3)nc2cc1Br 586929338 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1 IGAF Cc1nn(C2CCOCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4CCOCC4)CC3)cc12 261190458 YXVMCBBIZSQRRG-QAQDUYKDSA-N 432.590 3.131 0 1 IGAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3ncc(Cl)c(Cl)c3[nH]2)cc1 586945894 CSGHAKBGNRBFLI-NSHDSACASA-N 427.313 3.389 0 1 IGAF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587040187 LLOLDOLDNUFIGJ-KRWDZBQOSA-N 433.511 3.096 0 1 IGAF FC(Br)(Br)c1nc2cc(I)cnc2[nH]1 587087816 VMUKYNJBXAEZJP-UHFFFAOYSA-N 434.832 3.432 0 1 IGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cccc(I)c2[nH]1 587231793 QWGORVKFXCUILK-VXGBXAGGSA-N 427.286 3.204 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCN(S(=O)(=O)C3CC3)CC2)N1 587839699 HYRGMRDKDFLZBP-VOJFVSQTSA-N 431.371 3.368 0 1 IGAF Cc1ccc(F)c(OC2CN([C@H](C)c3nc(O)c4cnn(C5CCOCC5)c4n3)C2)c1 1772629738 DMDSYUYWTPBDBT-CQSZACIVSA-N 427.480 3.155 0 1 IGAF Cc1nc2sc(C(=O)NCCc3ccc(N4CCNCC4)c(Cl)c3)c(N)c2cc1F 1857608800 KKEQKWAYCQDJFA-UHFFFAOYSA-N 447.967 3.362 0 1 IGAF CC(=O)O[C@H]1C[C@@H](C)[C@@](C)(C[C@@H](OC(C)=O)C2=CC(=O)OC2)[C@@H]2CCC=C(C)C[C@@]12O 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446.551 3.001 0 1 IGAF O=C(NCCN1CCOCC1)c1cccc(-n2ncc3cc(Nc4ccccc4)cnc32)c1 96906406 LYMRGNVCFWWSAT-UHFFFAOYSA-N 442.523 3.226 0 1 IGAF O=C(c1c(F)ccc(NS(=O)(=O)c2ccc(F)cc2)c1F)c1c[nH]c2ncncc12 113490147 FILCETVOSUZXMJ-UHFFFAOYSA-N 432.383 3.407 0 1 IGAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1)C(F)(F)F 147545782 QMOLKOODFFHIEC-IYBDPMFKSA-N 427.467 3.165 0 1 IGAF COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1O[C@@H]1CCN(C)C1)CO2 169329874 OZBHPAKTNOSDFP-WIYYLYMNSA-N 448.523 3.358 0 1 IGAF C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N(C)C)nc3)ncc2[S@@](C)=O)c1 205651546 LSBWKIDQXFRQCA-WJOKGBTCSA-N 437.529 3.287 0 1 IGAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2nc(Br)c[nH]c-2n1 586938766 RCNJQAKTRWDUGN-GFCCVEGCSA-N 444.742 3.396 0 1 IGAF COc1ccccc1NS(=O)(=O)c1ccc2nc(C(C)(C)SCC(=O)O)[nH]c2c1 586960477 WKDVNTKTTMNOOV-UHFFFAOYSA-N 435.527 3.425 0 1 IGAF CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2c[nH]c(=N)[nH]c-2n1 586997271 PWFLWIIIUDCCDT-CYBMUJFWSA-N 447.337 3.158 0 1 IGAF CC1=C(c2ccc3[nH]c(-c4sc5c(c4C)C(=O)N4CCC=C4N5)nc3c2)NNC(=O)C1 587029716 SNUQYCHYMMOPCR-UHFFFAOYSA-N 432.509 3.468 0 1 IGAF O=S(=O)(NCc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(F)c(F)c1F 587133810 BGMFRUJKEJHKQM-UHFFFAOYSA-N 438.200 3.360 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 587414537 VUIZKKBEAGQZKC-URXFXBBRSA-N 433.416 3.258 0 1 IGAF C=CC(=O)Nc1ccccc1[C@H]1CCNc2c(C(N)=O)c(-c3ccc(OC)c(OC)c3)nn21 1772615027 PFNVDBBQDCHEEX-QGZVFWFLSA-N 447.495 3.196 0 1 IGAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@H]1Cc1sc(-c3cccnc3)nc1[C@H]2CC(=O)NC1CC1 2356314534 STLYZRFBRNIHFY-IVTYTIQISA-N 441.597 3.289 0 1 IGAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@H](CO)CNC)[C@H](O)C1 2356425807 SOCUTXCGCKGNTM-HFOLXAOLSA-N 427.626 3.350 0 1 IGAF COc1cc(-c2c3c(c(OC)c4c2OCO4)C[C@H]2COC(=O)[C@H]2C3)cc(OC)c1OC 2356529185 XOCRMEJCKVXIRT-STQMWFEESA-N 428.437 3.005 0 1 IGAF COC[C@@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1 2356876003 ZGWMAPXILYHOOJ-JYAXBFRTSA-N 432.634 3.351 0 1 IGAF CCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 59860187 PKCCKZIQHMGGEH-SJLPKXTDSA-N 427.578 3.125 0 3 IGAF Cc1ccc(F)c(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)C/C=C/c2ccccc2)c1 61930618 CSQSJXXXSSXXHJ-OUZREKFBSA-N 430.501 3.034 0 3 IGAF CCCCNC(=O)[C@@H](C(C)=O)N(Cc1ccccc1Cl)C(=O)C(=O)c1ccccc1 205859831 FTEFHUUNWIXJQR-HXUWFJFHSA-N 428.916 3.425 0 3 IGAF CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCCOC 4296728 VRPVYYBUYLSCDD-JTHBVZDNSA-N 442.512 3.347 0 1 IGAF COc1cc2c(cc1OC)[C@H](C(=O)NCc1cccnc1)[C@H](c1ccccc1F)N(C)C2=O 4760710 YMAAOCIURRTYBQ-GOTSBHOMSA-N 449.482 3.465 0 1 IGAF CN1[C@H]2CC[C@@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)O)cn3-c1ccc(F)cc1)C2 13650299 PZVYAIIEIVMFHO-IYBDPMFKSA-N 425.435 3.250 0 1 IGAF O=c1c2c(=O)n(-c3ccc(F)cc3)c(=S)n3c2n(c(=S)n1-c1ccc(F)cc1)CC3 27725160 ZWQYAUPRNNBTHC-UHFFFAOYSA-N 442.472 3.495 0 1 IGAF O=C(NC1CCN(C(=O)c2ccccc2C(=O)O)CC1)NC12CC3CC(CC(C3)C1)C2 36330683 LTBCFIMWJZFHPT-UHFFFAOYSA-N 425.529 3.257 0 1 IGAF CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3ccn(CCF)c(=O)c3)cc2n1 45253032 RCDQRGVAJLELSV-UHFFFAOYSA-N 435.463 3.039 0 1 IGAF Cc1nc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(Cl)cc3)cc12 84635295 WSQRHGLVKRDKCU-UHFFFAOYSA-N 425.920 3.361 0 1 IGAF COC(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95872599 CPFCVXYAQBATNY-BSRJHKFKSA-N 440.540 3.410 0 1 IGAF CCS(=O)(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 101490926 ALOWGHBVYUDPGD-GLRZTSSQSA-N 443.560 3.447 0 1 IGAF O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 169303381 SAHCFCFOKRFDAF-LAAXVVMPSA-N 439.987 3.295 0 1 IGAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 203532392 INFTVNCBSMJJQM-JTHBVZDNSA-N 430.453 3.111 0 1 IGAF COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C(=O)[C@@H]3COC[C@H]32)cc(OC)c1OC 238753959 UDMGAFIGOTWFTR-CLCXKQKWSA-N 444.480 3.329 0 1 IGAF CN(C)CCOc1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 586945531 HTJABHZVVJFGHG-UHFFFAOYSA-N 446.554 3.303 0 1 IGAF NC(=O)c1cc2c(nc1O)CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338800 RSMUSTLTNOTSED-GBXCKJPGSA-N 434.423 3.322 0 1 IGAF CC(C)(C)OC(=O)N1CCOC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587590932 DNULBGVLKKORHA-MBSDFSHPSA-N 427.453 3.360 0 1 IGAF CNS(=O)(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587611052 ZFTBJBUCHCDGOW-DENIHFKCSA-N 425.462 3.177 0 1 IGAF COC(=O)C1CCN(C(=O)C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC1 587769230 NLCYKQCEOBHVOC-ODXCJYRJSA-N 441.341 3.139 0 1 IGAF CCOC(=O)c1cnn2cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cnc12 587790560 CSBAFXYLONRFSK-BTDLBPIBSA-N 433.281 3.431 0 1 IGAF COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2ccc(O)c(-c3ccccc3)c2)c1OC 587927523 VLTHCPZJPYFXOV-UHFFFAOYSA-N 425.437 3.369 0 1 IGAF CCOC(=O)[C@]1(c2ccc(OC)cc2OC)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962625531 JEUIUPYMGZZWQR-OWJWWREXSA-N 429.513 3.404 0 1 IGAF CC[C@H](C)C[C@H](C)C(=O)O[C@]1(C)C(=O)c2c(cc(O)c3c2C[C@H](O)C[C@H]3C)[C@](C)(O)C1=O 2356719906 LCCGEVUWWBLMGC-PGYFNJBISA-N 446.540 3.150 0 1 IGAF O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 767845 FVIUAAZRWXIEGY-WSTZPKSXSA-N 429.879 3.356 0 1 IGAF CNC(=O)CCCn1c(=O)c2cn(Cc3cccc4ccccc34)cc2n(CC(C)C)c1=O 13603341 CIPIMGZIDSONAW-UHFFFAOYSA-N 446.551 3.348 0 1 IGAF COc1ccccc1N1CCC(C(=O)Nc2ccc(OC)c(N3CCN(C)CC3)c2)CC1 28524685 SYERHDJULLPKRY-UHFFFAOYSA-N 438.572 3.311 0 1 IGAF CNc1nccc2c(O[C@@H](C)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cccc12 45255091 BLPQMGAJZGMMOM-MSOLQXFVSA-N 432.524 3.417 0 1 IGAF CN1CCc2nc(C(=O)Nc3ccncc3CNC(=O)c3ccc(Cl)s3)sc2C1 66066084 JJOVWNNPDXUVMZ-UHFFFAOYSA-N 447.973 3.423 0 1 IGAF Cc1cnc(NCc2ccncc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 71788625 HAINYBZZRCOORG-OAQYLSRUSA-N 428.496 3.251 0 1 IGAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1ccc(Br)cc1 73159532 FSYAPDMBYROULY-SFHVURJKSA-N 449.326 3.219 0 1 IGAF COc1ccc(OC)c(CCNc2nc(N3CCN(c4ccccn4)CC3)ncc2C)c1 82204392 CATUUICGXYMUTO-UHFFFAOYSA-N 434.544 3.178 0 1 IGAF O=C1C[C@H](c2ccccc2Br)C(=O)N1CN1CCN(Cc2ccccc2)CC1 84731875 FFQHYYBTWDNOOC-LJQANCHMSA-N 442.357 3.067 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H](C)NC[C@H]1C 95690036 DKOCUBLREHHOPE-VVBPWWLESA-N 443.519 3.172 0 1 IGAF CCOC(=O)C1=C[C@@H]2C(=O)c3ncccc3C(=O)[C@@H]2C(c2ccc(Br)cc2)=N1 101501109 YFNUDWQHKLFPDN-HOCLYGCPSA-N 439.265 3.405 0 1 IGAF COCCC(=O)n1ccc2cc(-n3c(-c4cc(C(C)C)c(O)cc4O)n[nH]c3=O)ccc21 115807290 BBXCKRLARZOVHB-UHFFFAOYSA-N 436.468 3.394 0 1 IGAF N[C@H]1CCCN(C(=O)Nc2cnc3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nn23)C1 118236550 AINVQCYSXJEGPG-MAUKXSAKSA-N 441.486 3.304 0 1 IGAF Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)CNC(=O)O4)cc2)cn1 143326243 UXSVDQPKNXQICD-UHFFFAOYSA-N 438.919 3.464 0 1 IGAF O=C(NCc1ccccc1)C1CN(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 166827295 KTCZKMXPHGDJDP-UHFFFAOYSA-N 427.508 3.382 0 1 IGAF CN(C)C(=O)c1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3CCCO3)nc2=O)c1 220201643 ZKZFTMUFURDVNU-NRFANRHFSA-N 445.519 3.393 0 1 IGAF O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c(O)nc(S)nc3[nH]2)CC1 586955485 ZACZNPYFMTZTND-UHFFFAOYSA-N 441.538 3.069 0 1 IGAF Cc1c(I)cnn1[C@H](C)c1nc2c(Br)ccnc2[nH]1 587181885 GWKYTCIVHXKUON-SSDOTTSWSA-N 432.063 3.439 0 1 IGAF CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437978 MMIGCNMFWHVUHE-VBURHUQHSA-N 431.485 3.002 0 1 IGAF CCc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2CC(=O)O 587599056 YXQCSWRCWQHGIA-OFVILXPXSA-N 445.427 3.243 0 1 IGAF O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)n1ncc2ccc(Cl)cc2c1=O 587651813 PFPFNCVYHUKFPG-UHFFFAOYSA-N 434.765 3.063 0 1 IGAF CCOC(=O)C(=O)C[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587774085 LGBKGGQMERGHON-MPBGBICISA-N 435.293 3.283 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(CN(C)S(C)(=O)=O)o2)N1 587838363 BYKGXOVIMKWRMG-QGHHPUGFSA-N 431.327 3.196 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 587869086 APLPSEQDEIYQLA-ZDUSSCGKSA-N 434.374 3.254 0 1 IGAF Cn1cc(-c2ccc3nc(NC(=O)c4cncc(O)c4)cn3n2)c(-c2ccc(F)cc2)n1 1772646953 SQQJDSGSPIIHFX-UHFFFAOYSA-N 429.415 3.289 0 1 IGAF O=C(CCN1CCOCC1)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 1857609239 IDIZVGZNRDCQAZ-UHFFFAOYSA-N 428.583 3.331 0 1 IGAF CCOC(=O)c1c(N2CCN(C(=O)OC(C)(C)C)CC2)c2ccccc2n(CC)c1=O 1857642673 PZMZJTXDVDTCEU-UHFFFAOYSA-N 429.517 3.255 0 1 IGAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)Nc3ccc(F)cc3)CC2)cs1 2356290063 IQOVLLPLZXQHIN-SFHVURJKSA-N 448.564 3.409 0 1 IGAF Cc1ccc(S(=O)(=O)N2CCC(=O)N(CCOCc3ccc(Cl)cc3)CC2)cc1 8680232 ZKRLOXRCHXRQOO-UHFFFAOYSA-N 436.961 3.088 0 3 IGAF O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 4296070 ASLQPUZOJWOPAT-TZIWHRDSSA-N 431.895 3.019 0 1 IGAF CCCCO[C@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccco2)C1 4547339 NFAXCFUBEBLAIP-LEWJYISDSA-N 428.529 3.437 0 1 IGAF C/C=C\[C@@H](CC(=O)O)CC(=O)NCC[C@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21 5923631 YPSYYNPWNICDRZ-UQYDRJLZSA-N 448.463 3.003 0 1 IGAF Cc1ccc(-n2nc(C(=O)CCCO[N+](=O)[O-])cc2-c2ccc(S(C)(=O)=O)cc2)cc1 13560531 NFKWGZDQOIKJPW-UHFFFAOYSA-N 443.481 3.422 0 1 IGAF CCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1 43203222 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3.339 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2ccncc2)C1 95868711 GQDIAKRQMOAWDV-JOCHJYFZSA-N 446.551 3.001 0 1 IGAF CC(=O)Nc1ccc(-c2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccn2)cn1 96176079 QQGXKEMNANCKOA-UHFFFAOYSA-N 429.480 3.406 0 1 IGAF C[C@]1(O)C[C@@H](c2nc(-c3ccc(Oc4ccccc4)c(C(N)=O)c3)c3c(N)nccn32)C1 100619192 SCQVZKPZQQEALZ-RWXRFDSASA-N 429.480 3.498 0 1 IGAF Cc1cccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1 169340865 AIBWNTIBPKYYKA-PMACEKPBSA-N 429.561 3.249 0 1 IGAF CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@H]2CC[C@H]3C[C@@H]2C3(C)C)cc1F 216198473 VGLSLQMDHQYBDV-DYEKYZERSA-N 432.945 3.466 0 1 IGAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3ccc(C)c(C)c3[nH]2)cc1 586939654 CJRMLHAZVBXHJZ-IBGZPJMESA-N 426.542 3.130 0 1 IGAF COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(O)ncnc5[nH]4)[nH]c23)cc1 586953481 PJAHCUWRKBKCCM-UHFFFAOYSA-N 436.453 3.016 0 1 IGAF COC(=O)CC[C@H](C(=O)OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346041 ARYSAECNXGYMGE-DHJUGAMNSA-N 430.428 3.391 0 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429.520 3.246 0 1 IGAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1OCCCN1CCN(c2cccc3ccccc23)CC1 195428245 RUFAUUMYKFPZQN-XZOTUCIWSA-N 431.536 3.091 0 1 IGAF NC[C@@H](c1ccc(C(F)(F)F)cc1)C1CCN(c2ncnc(N)c2-c2cn[nH]c2)CC1 206939907 CBGPEGDCORSVLT-KRWDZBQOSA-N 431.466 3.427 0 1 IGAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCS[C@H](C(F)(F)F)C4)ccc23)cn1 221618848 XQVPFMFFDRXBTC-SFHVURJKSA-N 435.475 3.214 0 1 IGAF CC(C)n1cc(C(=O)c2cnc(O)c(NC(=O)Cc3coc(C4CC4)n3)c2)c2cncnc21 261187258 XVSWSOSTUFAVEG-UHFFFAOYSA-N 446.467 3.390 0 1 IGAF O=C(O)c1c[nH]c2ccc(F)cc2c1=Nc1ccc(OCCCN2CCOCC2)cc1 473152838 VWANAVLMRAYBBH-UHFFFAOYSA-N 425.460 3.339 0 1 IGAF COc1ccc(Cc2nc3cccc(C(C)(C)C)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 586956762 HAOGORDGPFMCRQ-UHFFFAOYSA-N 443.569 3.481 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cccc(N3CCNCC3)c21 587402384 ZTYKTKCXXWOTPP-HHHXNRCGSA-N 439.515 3.440 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C2\NC(=O)CS2)(c2cccnc2)N1 587860104 ZXMVQHXLOVZDKH-GILOIRTLSA-N 434.334 3.465 0 1 IGAF CN(C)CCNC(=O)c1cccc(-c2ccc3nnc(-c4ccc5nccnc5c4)n3c2)c1 653763860 GWDLSLYNYJUUCX-UHFFFAOYSA-N 437.507 3.298 0 1 IGAF COC(=O)[C@@]1(CC(=O)c2ccco2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963188139 LTLLHDKDVUBKSP-VOJFVSQTSA-N 445.777 3.192 0 1 IGAF CC[C@H](O)[C@H](O)CC=CC=CC=CC[C@H](O)C(C)=C[C@@H](C)[C@H](C)OC(=O)CCC(=O)O 2356323445 KZEPXPAHJZNSAB-ZQOQTTQJSA-N 438.561 3.307 0 1 IGAF CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@H]1c1cccc(OC)c1 253928474 KCQFIYBAIVAWDT-FQEVSTJZSA-N 434.489 3.015 0 3 IGAF NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](c2ccccc2)c2cccnc2)CC1 13766209 RSQVIWGRLAYAKO-NXZXNMDISA-N 434.584 3.228 0 1 IGAF O=C(O)c1cc(CCn2cnc3c2NC=NC[C@H]3O)c2cc(Br)ccc2c1 13861923 AJEMOPXEMMOAAC-MRXNPFEDSA-N 429.274 3.227 0 1 IGAF COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]([C@H](C)N2CCCC2)C1 13863720 ONEIDYFRAIKBGR-KSSFIOAISA-N 428.360 3.299 0 1 IGAF O=C(c1cc2n(n1)CCCN(Cc1ccccc1)C2=O)N1CCC(N2CCCCC2)CC1 21933250 XIUAMQMRVOZHIU-UHFFFAOYSA-N 435.572 3.020 0 1 IGAF Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)OCc4cc5ccccc5cc4O3)O2)c(=O)[nH]c1=O 26726828 QSRSOGPDZUJZCE-PACVJBRTSA-N 442.364 3.186 0 1 IGAF CCCC[C@H](Sc1nc2ccccc2c(=O)n1C(C)C)C(=O)N1CCC(C(N)=O)CC1 40862526 LEJXHIIPDYQNIM-IBGZPJMESA-N 444.601 3.352 0 1 IGAF CCn1c(SCC(=O)Nc2ccc(C(=O)O)cc2)nc2nc3c(cc2c1=O)CCCC3 45338269 VUOTYLYHWXXTFU-UHFFFAOYSA-N 438.509 3.119 0 1 IGAF CCC[C@@H](C(=O)O)n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c23)c1=O 96170049 ZBIUWIWTJRDATO-KRWDZBQOSA-N 438.509 3.259 0 1 IGAF O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc5ccccc45)nc(Cl)nc32)[C@H]1O 98186604 SBJORAVUWWLBAK-SIXWZSSISA-N 427.917 3.212 0 1 IGAF COc1ccccc1C(=O)NC[C@]1(c2ccccc2)CC[C@H](OC(=O)NCCO)CC1 100765337 KRMMNVYQRZEFBH-DQMBHMMVSA-N 426.513 3.024 0 1 IGAF COc1cccc(OC)c1C(=O)N1C[C@H]2CN(c3nccc(-c4ccccc4)n3)C[C@@H]2C1 116823935 MBMKYAGDMHNQIG-OALUTQOASA-N 430.508 3.369 0 1 IGAF O=C(CC1CCC1)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 169697037 HRGLDIJXNKMLQF-TYKWCNGQSA-N 426.605 3.394 0 1 IGAF O=C(Nc1ccc(Cl)cc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1 299822823 BYFOCGVKHVBAOT-UHFFFAOYSA-N 443.910 3.475 0 1 IGAF O=S(=O)(NCc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1ccc(Br)s1 586942673 OLFYIIZUNPCKFW-UHFFFAOYSA-N 444.229 3.422 0 1 IGAF O=C(CCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)Nc1nnc(-c2ccncc2)s1 587024325 VMRTUSLTMQQYNV-UHFFFAOYSA-N 430.396 3.369 0 1 IGAF Oc1nc(NCc2ccccc2)c2nc(C(F)(Br)Br)nc-2[nH]1 587087791 UMPUCJHALRPLGA-UHFFFAOYSA-N 431.063 3.492 0 1 IGAF C[C@@]1(c2cccc(S(N)(=O)=O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370961 ZCLNCZGHJNZJRX-UNMCSNQZSA-N 427.453 3.453 0 1 IGAF Cc1cc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc(NC(C)C)n1 653715986 GNMILZQJXYJNLC-CYBMUJFWSA-N 435.887 3.418 0 1 IGAF COc1cccc2c3c(cnc12)CCN[C@@]31CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 963050028 CJHSPDJZJVUPOR-ZEQRLZLVSA-N 425.529 3.384 0 1 IGAF CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[C@@]21c2c3c(cc4c2OCCO4)CC(=O)N1CC3 963268876 AANLQOQLSNWEKJ-YWTKSJFSSA-N 426.513 3.013 0 1 IGAF CC(C)(C)OC(=O)N1CCC2(CC[C@@H](CNC(=O)c3cc4cnccc4[nH]3)OC2)CC1 1772612480 HIZPCJKBWSTODD-KRWDZBQOSA-N 428.533 3.489 0 1 IGAF Cc1nc2n(c(=O)c1CCN1CCN(c3csc4ccsc34)CC1)CCC[C@H]2O 1772657280 GNKPMACIWWMQOV-QGZVFWFLSA-N 430.599 3.020 0 1 IGAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)CSCC(=O)O)nc3[C@@H](C)[C@@H]21 2356819618 FDFRGBCCVZRHMJ-JFYHPMCGSA-N 438.571 3.153 0 1 IGAF Cn1cccc1CN[C@@H]1CC(C)(C)[C@@H]2C[C@@](C)(O)CC[C@]21CCC(=O)N1CCOCC1 2356846691 OPQDKXVMUPOQKB-PEARBKPGSA-N 431.621 3.090 0 1 IGAF Cn1nc(-c2cccs2)cc1[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)CC(C)(C)CC(=O)O 2356862171 UXOIRRYNLNDUSC-YESZJQIVSA-N 444.601 3.334 0 1 IGAF CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 2954147 MSPFRPFLTDAVLJ-UHFFFAOYSA-N 435.634 3.142 0 3 IGAF C[C@@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1cccc2ccccc12 61895774 WASDRRWSGYXMFU-QFIPXVFZSA-N 426.469 3.089 0 3 IGAF CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccccc1 61923473 OQQQNTJFBGRHLU-GOSISDBHSA-N 425.554 3.165 0 3 IGAF CNC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 760729 VSCXWEPSRFUWSF-WSTZPKSXSA-N 445.560 3.018 0 1 IGAF CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)cc1 8605840 VQLITVQSUYWZPF-MRXNPFEDSA-N 443.525 3.284 0 1 IGAF CCOC(=O)N1CCN(C(=O)Cn2c(-c3ccc(Cl)cc3)nc3cccnc32)CC1 13824832 JHFIVGGUVFRHFU-UHFFFAOYSA-N 427.892 3.052 0 1 IGAF COc1cc2nc(N(C)[C@@H]3CCCC[C@H]3N(C)C(=O)c3ccco3)nc(N)c2cc1OC 13826086 HZNHGMXFMGRNNC-IAGOWNOFSA-N 439.516 3.342 0 1 IGAF Cn1cccc1C(=O)N[C@@H]1CCN2C(=O)c3cc(-c4ccc(Cl)cc4)ccc3NC(=O)[C@@H]12 25176336 POZDUISMBVYTNO-TZIWHRDSSA-N 448.910 3.311 0 1 IGAF biogenic CCN(CC)C(=O)CNC(=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 26392724 BSJSJGWDVZKDCR-VHXQVIRHSA-N 445.648 3.451 0 1 IGAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/[C@H]3O[C@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 40423834 MSHYYZSYRGWFES-VFSQKGCWSA-N 437.558 3.071 0 1 IGAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCCCC(=O)NO 43194441 QMPYSSDVMBKQII-WJDWOHSUSA-N 428.464 3.059 0 1 IGAF CCN1CCN(c2nc(NCc3cccc(OC)c3)c3cc(OC)c(OC)cc3n2)CC1 82127149 WZDIDZPKEZCRRA-UHFFFAOYSA-N 437.544 3.410 0 1 IGAF O=C(NCc1ccc(OC(F)F)nc1)[C@@H]1c2ccccc2C(=O)N1CCc1ccccn1 95552875 OUYULONQGHHEEU-FQEVSTJZSA-N 438.434 3.134 0 1 IGAF COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@H]3C2)cc1 95866697 IPPKAUYPGZFFKS-VDKIKQQVSA-N 447.535 3.466 0 1 IGAF Cc1noc(-c2cc3cc(-c4[nH]c(C(=O)NCc5ccc(N)nc5)nc4C)ccc3[nH]2)n1 115836796 LTEKTKPVQLUBRW-UHFFFAOYSA-N 428.456 3.132 0 1 IGAF CCc1cc(S(=O)(=O)Nc2ccncn2)c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C 144235277 PTIFTJFHUAIOAS-QAPCUYQASA-N 445.520 3.428 0 1 IGAF O=C(C[C@@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1 147702940 FIMDFCHHYZMXDV-HBMCJLEFSA-N 443.588 3.172 0 1 IGAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCN(C)CC3)cc2)n1 205141503 NWEKVDPZORGKLH-GHTZIAJQSA-N 438.576 3.378 0 1 IGAF CNC(=O)c1ccnc(Oc2ccc(F)c([C@]3(CF)C[C@@H](C(F)(F)F)OC(N)=N3)c2)c1 223546249 GTJYYQGHZSAKEF-KBXCAEBGSA-N 444.360 3.203 0 1 IGAF CC(C)(C)[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224725992 GDSOCWJRBURPKK-FQEVSTJZSA-N 444.532 3.217 0 1 IGAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586930136 MQXRNXVMNGRLPV-UHFFFAOYSA-N 436.362 3.147 0 1 IGAF O=C(O)c1cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2cc1F 586951257 SGZVBQHGQZKMIJ-UHFFFAOYSA-N 432.477 3.332 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cn2c(=O)oc(=O)c3ccccc32)N1 587769524 NUAPGIFZFUBROU-BIBXISHDSA-N 433.277 3.306 0 1 IGAF Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587843409 ZKRYJJPMWAFRCW-ZMZPIMSZSA-N 427.339 3.342 0 1 IGAF CN(C)c1ccc(-c2cnc3cnc(-c4ccc(NCCN5CCOCC5)nc4)cn23)cc1 653682844 QBNSXGPZLIZMGN-UHFFFAOYSA-N 443.555 3.268 0 1 IGAF CS(=O)(=O)c1ccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)s1 962926062 STALGBFXQWZAAD-FXAWDEMLSA-N 445.518 3.338 0 1 IGAF COC(=O)C[C@]1(Cc2ccc(OC)cc2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962960199 FJHAXRCTJJTFMJ-KKSFZXQISA-N 439.842 3.227 0 1 IGAF COc1cc([C@@H](CC(=O)O)[C@@H]2N(O)C(C)=C(C)N2Cc2ccc3c(c2)OCO3)ccc1O 2356844275 NTEBQTGTBKXSSH-HXOBKFHXSA-N 442.468 3.472 0 1 IGAF CC=C(C)C(=O)OC(C)(C)[C@@]1(CC2=CN[C@@H](N)C=C2)Cc2cc3ccc(=O)oc3cc2O1 2356873843 YJHMWPBNRCOVRE-PXDATVDWSA-N 436.508 3.473 0 1 IGAF O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccccc1 95601964 KWVRLTIBXBRNFP-QFIPXVFZSA-N 425.448 3.179 0 3 IGAF CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1[C@@H](C(=O)O)C[C@H]2CCCC[C@H]21 28756969 YEXQQQZDCCDPJD-MLZLACJZSA-N 431.529 3.200 0 1 IGAF O=C1CNC(=O)N1CCCN1CC[C@@H]2c3cc(F)ccc3N(c3ccc(F)cc3)[C@@H]2C1 29557876 IQHJJFKDRDMNJP-WIYYLYMNSA-N 426.467 3.216 0 1 IGAF O=C(Nc1ccc2c(c1)NC(=O)[C@H](CCO)O2)C1CCN(c2cc(F)c(F)c(F)c2)CC1 34642940 OSJROQUTACPGAR-IBGZPJMESA-N 449.429 3.041 0 1 IGAF C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)nn1C 40422077 WGQZAXVWQHFYON-GFCCVEGCSA-N 430.452 3.254 0 1 IGAF Nc1cc2c(=O)c(C(=O)O)c[nH]c2cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1 40957859 XRDRNQMMJYXWGT-UHFFFAOYSA-N 432.402 3.154 0 1 IGAF COc1ccc(CNC(=O)c2sc3nc(OCCCN(C)C)cc(C)c3c2N)cc1 70454765 JOVNETVRCHVSAD-UHFFFAOYSA-N 428.558 3.456 0 1 IGAF CC(=O)NCCNc1ncc(C(=O)N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)c(-c2ccco2)n1 82142255 YFTGEKQMZAWGOB-WCZJQEMASA-N 425.533 3.085 0 1 IGAF O=C(C[C@@H]1CC[C@@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 95907287 XVXZKVDXPZSGFW-RBZQAINGSA-N 436.552 3.185 0 1 IGAF CCOC(=O)[C@@H]1CCCN(Cc2cn([C@@H]3CCCC[C@H]3OC(=O)c3ccccc3)nn2)C1 142111346 XHWCBKCOVCEINV-CEMLEFRQSA-N 440.544 3.394 0 1 IGAF O=C(CCCc1c[nH]nn1)NC1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 150335349 SUIZEIIUKRQRCT-UHFFFAOYSA-N 438.359 3.174 0 1 IGAF C[C@@H]1Cc2cc(C(=O)[C@@H]3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(O)c3)ccc2O1 169690306 YOEWXZBNIDXWIZ-DURYTUKUSA-N 442.471 3.262 0 1 IGAF O=C(Nc1cccnc1C(=O)N1CCCCC1)c1nc(C2CC2)cnc1Nc1cncnc1 169701818 GJEGHDCZBRIZHK-UHFFFAOYSA-N 444.499 3.161 0 1 IGAF Cc1cnc([C@@H](O)[C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1 199435578 UNRVITUMVUGDDZ-UZLBHIALSA-N 425.558 3.181 0 1 IGAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587171340 NBIUNWYTGCEOIP-INIZCTEOSA-N 442.560 3.348 0 1 IGAF COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352559 OZSFLEMWXLTNHV-QNTYUMOHSA-N 428.412 3.001 0 1 IGAF O=c1cc(NC[C@H](O)CN2CCN(c3nccc4ccc(F)cc34)CC2)c2ccccc2o1 1857589304 SJCCHHKLFODASY-IBGZPJMESA-N 448.498 3.075 0 1 IGAF COc1ccc(-c2noc(C(=O)N3CCN(c4ccccc4OC)CC3)c2[C@@H](C)O)cc1 2356293105 CEQAIAPRAGSLSH-MRXNPFEDSA-N 437.496 3.375 0 1 IGAF CC1=C[C@H](CNC(=O)NCc2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C 2356399759 GMGVYGVZBBVUAN-YTFSRNRJSA-N 428.621 3.408 0 1 IGAF Cc1ccc(CN2C(=O)[C@@H](C)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 36382418 ULQZHSAABXMSBF-LJQANCHMSA-N 428.540 3.459 0 3 IGAF O=C(O)CCNC(=O)[C@H](Cc1ccccc1)O[P@](=O)(O)CCCCc1ccccc1 3789947 ZFDIXRMRTODLFR-FQEVSTJZSA-N 433.441 3.414 0 1 IGAF CCCCCN1C(=O)C[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]2(C)C1=O 13478325 LINDGWDPECJLNM-UGTOYMOASA-N 448.585 3.280 0 1 IGAF CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OCC 13833736 YKHIXAGPCBUIAJ-OALUTQOASA-N 434.533 3.135 0 1 IGAF COc1cc2c(cc1OC)Oc1c(oc3c4c(ccc3c1=O)OC(C)(C)[C@@H](O)[C@H]4O)CO2 14440877 XVIAGVPVBYPUQJ-UGKGYDQZSA-N 442.420 3.060 0 1 IGAF biogenic CC[C@]12CCCN3C[C@H](OC(C)=O)[C@]4(C(=Nc5ccccc54)[C@](Cl)(C(=O)OC)C1)[C@@H]32 27206636 CQKCCFYSSWAGLK-TZUGMZLSSA-N 430.932 3.371 0 1 IGAF COc1cc(OC(C)=O)c(OC(C)=O)cc1-c1coc2cc(OC(C)=O)ccc2c1=O 33834038 JEGLRHUJYPUQBX-UHFFFAOYSA-N 426.377 3.245 0 1 IGAF biogenic,in-vitro CNC(=O)C1=C(C)C2=C(Nc3ccccc3S2)[C@H](C(=O)NC)[C@H]1c1ccc2c(c1)OCO2 40873193 SGMXIIBNLPOUAX-VQTJNVASSA-N 449.532 3.367 0 1 IGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]23)cc1 95874781 PKTKXGGQIIBWIG-VNEHVADISA-N 444.572 3.472 0 1 IGAF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(COc2ccc(F)cc2)cc1 140154869 KKAREXGDOFNMHY-RXGLGVBBSA-N 432.451 3.103 0 1 IGAF O=C(CN1CCCC1)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166843349 BVYGSEZNUJODNX-UHFFFAOYSA-N 431.540 3.341 0 1 IGAF C[C@@H]1Cc2nn(C)c(-c3ccccc3)c2-c2nc(Nc3ccn(CC(=O)N(C)C)n3)ncc21 169702328 PCJRZJMGSZZICZ-OAHLLOKOSA-N 442.527 3.232 0 1 IGAF COc1cc(C(=O)N2CCOCC2)c(Cl)cc1Nc1ncc(C(F)(F)F)c(OC)n1 169705157 FPKRGAUUEIDUBF-UHFFFAOYSA-N 446.813 3.382 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(F)c(C)c3[nH]2)C(C)C)cc1 586933694 WKOLZJUXMIZQHC-IBGZPJMESA-N 432.521 3.322 0 1 IGAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@@H](C)O)cc1 586935585 FJEIOGWPCVFLGB-ABKXIKBNSA-N 447.410 3.130 0 1 IGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)cnc2[nH]1 586938443 VTWGXSHBEARDCG-CYBMUJFWSA-N 441.376 3.493 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 587767901 KCCDQHIMYMOYEA-JXBWDGJFSA-N 443.313 3.412 0 1 IGAF O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)n1nc2cc1Oc1ccc(F)cc1-2 587876649 VEPZGRCHPJNLLK-UHFFFAOYSA-N 428.445 2.931 0 1 IGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(c1cccnc1)c1ccccn1 963141739 KMUSYOWLUWCXHQ-AOMKIAJQSA-N 438.509 3.471 0 1 IGAF CN1C(=O)c2ccccc2[C@@H](C(=O)NCCCN2CCCC2=O)[C@H]1c1c[nH]c2ccccc12 2499071 AWZGLWAKAAKKLY-DNQXCXABSA-N 444.535 3.207 0 3 IGAF Cc1cccc(Cl)c1CNC(=O)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1 3583406 OJIOGXGREHMVEE-UHFFFAOYSA-N 434.861 3.186 0 1 IGAF CSCC[C@@H](NC(=O)[C@@H](CSC(C)=O)Cc1ccccc1)C(=O)N1CCCCC1 26500245 MZXPIHCOIAXPOG-WOJBJXKFSA-N 436.643 3.375 0 1 IGAF COc1ccc(-c2cc(C(=O)N3CCCCCC3)no2)cc1S(=O)(=O)N1CCCC1 71928045 XHRZDPXDKOMXNE-UHFFFAOYSA-N 433.530 3.151 0 1 IGAF CCNc1nc(NCC(C)(C)CNC(=O)c2ccncc2)nc2cc(OC)c(OC)cc12 82119512 HOWVOOOBQFREML-UHFFFAOYSA-N 438.532 3.342 0 1 IGAF O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccc(F)cc1 95893982 UYTFWLFJSUVKLV-SONWIMMPSA-N 430.479 3.384 0 1 IGAF CO[C@@H](CN(C)CC1CCOCC1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO 95899194 IUSZJOKEOVUDOA-SVMVAKDDSA-N 439.572 3.050 0 1 IGAF Cc1cccc(C(=O)NC2CCC3(CC2)NC(=O)N(CCOc2ccc(F)cc2)C3=O)c1 103182291 PEJGYSIDNCIDJQ-UHFFFAOYSA-N 439.487 3.176 0 1 IGAF Nc1nc2c(s1)C[C@@H](CNC(=O)c1cc(Br)c(Br)[nH]1)CC2 103278160 VALBVPDTALTKAF-LURJTMIESA-N 434.157 3.113 0 1 IGAF CN[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1cccc(F)c1 199682674 FWLGKXSTJRFQRI-ZEQRLZLVSA-N 446.588 3.394 0 1 IGAF O=C(c1ccc2c(c1)-c1cc(Cl)c3cccnc3c1NS2(=O)=O)N1CCOCC1 205636253 QIGDBJSXXTXKPO-UHFFFAOYSA-N 429.885 3.142 0 1 IGAF C=CS(=O)(=O)NC/C=C/c1cc(OC)cc(O)c1C(=O)OC[C@@H](C)c1ccccc1 299840365 VFDHFEQIJJDKDY-YCABEKBOSA-N 431.510 3.437 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1O 587407613 DDPCSTGCFQDTKL-ZEQRLZLVSA-N 449.415 3.120 0 1 IGAF CC[C@@H]1[C@H](C(=O)OC)[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437983 MPCHUALLXZVLTP-DQRNBUCVSA-N 445.512 3.390 0 1 IGAF CC(C)(C)OC(=O)N1CCO[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587583086 QCURHOGALPPHPG-WAOWUJCRSA-N 427.453 3.358 0 1 IGAF COC(=O)[C@@H]1c2ccc(OC)nc2CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587587766 PSEQDNZKGHASMG-BPYKYCOYSA-N 447.443 3.399 0 1 IGAF CN(C)S(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587604899 AAYAHKNPZGWFLM-DENIHFKCSA-N 425.462 3.345 0 1 IGAF COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(F)cc12 1772657754 FVHJRTAZZDCEJI-TXBYWVTISA-N 425.460 3.118 0 1 IGAF COc1cccc(N[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)c1 1857599006 XRWPMSSCPKNFEZ-ICBNADEASA-N 446.352 3.014 0 1 IGAF Cn1ccnc1CN1CC[C@](C)(O)[C@H](NC(=O)c2ccc(F)cc2)[C@H]1c1cccs1 2356423383 XFCLCGVSTDZSPJ-SJBKTWHCSA-N 428.533 3.117 0 1 IGAF O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F 4205847 KYRXFZUOWNKWLZ-WBVHZDCISA-N 441.684 3.442 0 1 IGAF Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4C[C@H](C)N[C@H](C)C4)cc32)c(F)c1 26753263 CXSFFUFHKWSZFZ-OKILXGFUSA-N 427.451 3.462 0 1 IGAF COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCCCO)CC(=O)N32)c1 26771912 UCVOFJJWDHOBRJ-RCZVLFRGSA-N 447.535 3.024 0 1 IGAF biogenic C[C@@H](CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC(=O)c1cc2cc(F)ccc2[nH]1 72139569 MSSVPLXKRPFKDV-HNNXBMFYSA-N 435.503 3.405 0 1 IGAF CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)OCCC2CCCCC2)cs1 82071280 RFHFUSXQAMPJRD-KRWDZBQOSA-N 441.619 3.144 0 1 IGAF CN(C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc(F)cc1)C1CCCCC1 82139881 KCHKIXMGDRJITD-QGZVFWFLSA-N 439.535 3.389 0 1 IGAF CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CC1)[C@H](C)CO2 95679788 BDRXDQAKPVBUQK-GSHUGGBRSA-N 431.577 3.251 0 1 IGAF O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1cc(Cl)cc(Cl)c1 95903449 BEXHONHOIJOFFZ-IPMKNSEASA-N 443.371 3.328 0 1 IGAF CN1C[C@H]2C[C@H]1CN2C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Cl)cc21 100761862 CEQSWRIIVPWGJF-LSDHHAIUSA-N 443.935 3.309 0 1 IGAF Cc1noc(C)c1S(=O)(=O)N(C)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 101403175 JLHWRIRKEBHAQS-DKSSEZFCSA-N 427.517 3.319 0 1 IGAF CCOC(=O)Cc1c(C)nc2c(S(=O)(=O)c3ccccc3)c(NC(C)C)nn2c1C 169699842 USUDULMINHACHU-UHFFFAOYSA-N 430.530 3.105 0 1 IGAF Cn1cc(-c2cccc3c2CNCC3)c2ccc(S(=O)(=O)Nc3ncns3)cc21 205419080 WLHJAUMZXRWNNH-UHFFFAOYSA-N 425.539 3.143 0 1 IGAF Cn1cnc(S(=O)(=O)N2C[C@@H](Nc3cccc(Cl)c3)[C@H](c3cccc(F)c3)C2)c1 225885265 IURCBZDASMYZAD-RBUKOAKNSA-N 434.924 3.481 0 1 IGAF CCCCS(=O)(=O)N[C@H](c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(C)C 586932843 JOVWNPADMUIDOF-SFHVURJKSA-N 444.623 3.010 0 1 IGAF O=S(=O)(NCCc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(Cl)nc1 586942607 OCHRKYDWNCHOGD-UHFFFAOYSA-N 433.690 3.034 0 1 IGAF NC(=O)c1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1 587108132 HQQJSHCRADUHQX-OAHLLOKOSA-N 438.431 3.206 0 1 IGAF CN(Cc1nc2c(Cl)c(Br)cnc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587170869 UJAMNTLUKUOVDA-UHFFFAOYSA-N 433.690 3.334 0 1 IGAF CN(C)S(=O)(=O)c1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587225941 ZKPGCBAJHZGBRG-OAQYLSRUSA-N 434.521 3.333 0 1 IGAF Nc1ccccc1[C@]1(C[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329955 AZIAVXBQOFNHGJ-LEEZEASISA-N 436.439 3.170 0 1 IGAF COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437910 LYONOHCLPBJQRT-AIYSXCBHSA-N 431.485 3.002 0 1 IGAF CCOC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587518019 YUAVJYLMEZWBEG-HFZDXXHNSA-N 433.504 3.491 0 1 IGAF CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(N)=O 587749598 POHALUMBNNEPHF-PRWKNARSSA-N 437.309 3.475 0 1 IGAF CC(C)OC(=O)N1CCC(n2ncc3cc(-c4ccc(S(C)(=O)=O)nc4)ncc32)CC1 653859594 PCQXZDZJMWCAKJ-UHFFFAOYSA-N 443.529 3.079 0 1 IGAF Cn1nccc1-c1cnc(N)c(-c2ccc(C(=O)N[C@H](CO)c3cccc(F)c3)c(F)c2)c1 1772598938 RSXYOMSIPHVAQX-OAQYLSRUSA-N 449.461 3.473 0 1 IGAF COc1ccc(NC(=O)CSc2n[nH]c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1 1857596121 FBYGQAGLDZNPMC-UHFFFAOYSA-N 430.486 3.237 0 1 IGAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@@H]2O[C@H](O)[C@]3(C)CCC[C@]1(C)[C@H]23 2356501539 DOMUYBKPZYQPSE-BUNKDWKASA-N 434.573 3.246 0 1 IGAF CC(C)(O)CC=C[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12C 2356519540 GMDMOLHINHWOGI-MCJKGCKQSA-N 448.644 3.480 0 1 IGAF COC(=O)[C@@H](Cc1cn(CC=C(C)C)c2ccccc12)NC(=O)[C@H](O)Cc1ccccc1 2356806961 WBOHBEKRKYUFEW-ISKFKSNPSA-N 434.536 3.411 0 1 IGAF COc1ccc([C@@H]2SCC(=O)N=C3C2=C(C)NN3[C@@H]2CCOC(C)(C)C2)cc1OC 104013641 KWTCKPVSKFCGRA-QRWLVFNGSA-N 431.558 3.469 0 3 IGAF O=C(Cn1c(=O)ccc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(Cl)cc1 8600886 GFSMAMATLKIIQE-UHFFFAOYSA-N 445.928 3.078 0 1 IGAF N[C@H](CCc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 13444788 VCYFASOCVKPRSB-RUZDIDTESA-N 449.595 3.153 0 1 IGAF CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12 26179389 OAZAZSVSTJITEI-VWNXMTODSA-N 430.593 3.037 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2ccco2)C1 82199394 GNCMIMKLNOQTKM-RTBURBONSA-N 430.501 3.013 0 1 IGAF O=C(c1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 95871570 SVZWZQFMECBXMQ-SONWIMMPSA-N 448.469 3.443 0 1 IGAF C[C@]12C[C@@]34CCC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@@H](C[C@@H]1C4)O2 101651039 XADCWKSMHQPTGH-YBBSSQDRSA-N 443.496 3.458 0 1 IGAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2COC)n2c1COCC2)c1ccccc1 146056375 QKDJINHHINZUSR-UYAOXDASSA-N 425.529 3.150 0 1 IGAF COc1ccccc1-c1cc(-c2c(OC)cc(OC)c([C@H]3CCN(C)[C@@H]3CO)c2O)n[nH]1 169347702 MHNKWPGDCBTYDT-MAUKXSAKSA-N 439.512 3.255 0 1 IGAF COCCN(c1ncc(F)cn1)[C@@H]1CCc2c(CC(=O)O)c3ccc(Cl)cc3n2C1 203539275 LFPDMSJAJUZLPG-OAHLLOKOSA-N 432.883 3.319 0 1 IGAF CN(Cc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)S(=O)(=O)c1ccc(Cl)cc1 586929552 VLYHJDQUOKHWJN-UHFFFAOYSA-N 440.234 3.451 0 1 IGAF CCCCNS(=O)(=O)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587174123 MVNOBVXAYFVAJQ-NRFANRHFSA-N 431.489 3.409 0 1 IGAF COC(=O)[C@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962639414 UYOOMKWSVNFYCW-MAUKXSAKSA-N 429.778 3.254 0 1 IGAF COC(=O)CNC(=O)[C@@H]1Cc2cc(OC3CCCC3)c(OC)cc2C(c2ccccc2)=N1 1857618394 YFZOTNMKCKNHIX-FQEVSTJZSA-N 436.508 3.068 0 1 IGAF COc1c(I)cc(CCN(C)C)cc1I 2356791619 ITXNYYFSIPJGFG-UHFFFAOYSA-N 431.055 3.009 0 1 IGAF O=C(O)C[C@@H](NC(=O)c1c(Cl)cccc1NC(=O)OCc1ccccc1)C(=O)CF 28825309 TWCOBQBGPHPXOP-OAHLLOKOSA-N 436.823 3.200 0 1 IGAF NC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)nc2c1 34240905 SNLBJYPVOBQKKR-UHFFFAOYSA-N 437.437 3.038 0 1 IGAF CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(NC(=O)C3CC3)c3ccccc23)CC1 35242658 RDDQQXWHCVOCBG-UHFFFAOYSA-N 443.569 3.258 0 1 IGAF O=C(Cc1ccccn1)Nc1ccc(CCNC[C@H](O)COc2cccc3[nH]ccc23)cc1 40877026 CCCJIBQGIOQMQF-QFIPXVFZSA-N 444.535 3.316 0 1 IGAF O=c1oc2cc3ncnc(Nc4ccc(F)c(F)c4)c3cc2n1CCCN1CCOCC1 84711827 JWCDLHQKCFXQIY-UHFFFAOYSA-N 441.438 3.282 0 1 IGAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCOCC3)cc2)n1 142109156 QSXXUKVJKBFLMP-FXAWDEMLSA-N 425.533 3.463 0 1 IGAF COC(=O)c1ccc([C@@H]2[C@H](C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 169687234 YDXVOOHFHOQPKZ-NHCUHLMSSA-N 447.443 3.227 0 1 IGAF CCCc1nn(C)c2c(=O)nc(-c3cc(-c4ccc(C(=O)NO)cc4)ccc3OCC)[nH]c12 224521174 CZQXXVREHYMCRZ-UHFFFAOYSA-N 447.495 3.461 0 1 IGAF COC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C4=CC(=O)OC4)[C@@H](O)C[C@]32O)C1 299810099 HLVMTJOTGLNNPR-BBRSSYQWSA-N 448.556 3.366 0 1 IGAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2nc(Br)c[nH]c-2n1 586938772 RCNJQAKTRWDUGN-LBPRGKRZSA-N 444.742 3.396 0 1 IGAF Brc1cc(/C=C/c2nc3ccc(-n4cnnn4)cc3[nH]2)cc2c1OCCO2 586999826 CGKYOZVIVRAVBQ-DAFODLJHSA-N 425.246 3.243 0 1 IGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)C(O)O 587548447 URFNYEOQPGFTEL-DYESRHJHSA-N 443.249 3.323 0 1 IGAF O=C(O)CCC(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570541 JEXQOWXQORAVQP-RCZVLFRGSA-N 447.443 3.230 0 1 IGAF CC(C)(C)OC(=O)N1C[C@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587584433 YASINWQXECLGAP-GJYADEQXSA-N 441.436 3.187 0 1 IGAF COc1ccccc1N(CC(=O)Nc1cccnc1OC)S(=O)(=O)c1ccc(C)cc1 653884605 GLEOUKQKFWQFJC-UHFFFAOYSA-N 441.509 3.241 0 1 IGAF CCOC(=O)C1=C[C@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c2ccc(O)cc2O1 962762351 ITMLTGPSSNOYJS-IIBYNOLFSA-N 433.382 3.121 0 1 IGAF CN1C(=O)C[C@H]2CN[C@](CCC(=O)O)(c3ccc4c(c3)C(C)(C)C(=O)N4)c3cccc1c32 963035062 WFANZNNIZVIZBS-HWRSSNJWSA-N 433.508 3.078 0 1 IGAF 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Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586951739 XLDHHRYJSRKVFA-UHFFFAOYSA-N 427.380 3.415 0 1 IGAF O=C(c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1)N1CCN(CCO)CC1 587084906 IXVNTWOPAYMZLS-UHFFFAOYSA-N 435.915 3.182 0 1 IGAF Cc1c(Br)cnc2[nH]c([C@H](CC(=O)O)NC(=O)OCc3ccccc3)nc12 587203820 UPYIYUKWTIZFIL-ZDUSSCGKSA-N 433.262 3.471 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3C[C@H](C)O[C@H](C)C3)nc3c(C)cccn3c1=O)O2 587395404 QRMIMVDBWXWYNA-YRNRMSPPSA-N 448.523 3.214 0 1 IGAF C[C@@]1(F)CCN(c2cc(C3CN(C4COC4)C3)cc(-c3cnc(N)c(OC(F)F)c3)n2)C1 653762393 SQACUESRWMFDDG-JOCHJYFZSA-N 449.477 3.064 0 1 IGAF COC(=O)C1=C[C@@]2(c3cc(N)ccc3O1)c1cccc(F)c1CCN2[C@H]1CCSC1 962698779 JURNDBOXGWTTFL-WNSKOXEYSA-N 426.513 3.464 0 1 IGAF CCOC(=O)[C@@]1(c2cccc(OC)c2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962715823 PMTFFNMGTGUXGH-PXNSSMCTSA-N 441.377 3.259 0 1 IGAF COc1ccc(Br)cc1[C@@]1(C(=O)O)N[C@H](C)Cc2c(OC)ccc(OC)c21 963579924 JWLAFLKINQNIQL-BIBXISHDSA-N 436.302 3.337 0 1 IGAF 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432.557 3.407 0 1 IGAF CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 2356496860 PXQRJZNDFRAFTF-XYOVOBBRSA-N 448.556 3.003 0 1 IGAF CC(=O)Nc1ccc(CN2C(=O)[C@@H](CCc3ccccc3)ON=C2c2cnccn2)cc1 61928909 ONRYYCAXWAKABU-JOCHJYFZSA-N 429.480 3.157 0 3 IGAF Nc1ccccc1CNC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 791070 AMXVOCKPMRPQJH-PZJWPPBQSA-N 425.529 3.358 0 1 IGAF C[C@@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12 8661322 BFNFHGTVNJDHIX-OXQOHEQNSA-N 445.585 3.401 0 1 IGAF COc1cc2c(cc1OC)CC(=O)N(CCCN(C)CCn1cnc3ccccc31)CC2 28012787 CCBJEMLKTOIVKA-UHFFFAOYSA-N 436.556 3.003 0 1 IGAF COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O)ccc1OCCCn1ccc2cccnc21 28706697 GUMLEPLBDXGUCF-HXUWFJFHSA-N 436.468 3.227 0 1 IGAF C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](CC(N)=O)C(=O)O 28878912 WFBKWHQOULOXIK-INVKCHFXSA-N 429.355 3.429 0 1 IGAF Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2cc(F)ccc2F)O1 28974548 XHVBOPHNTXLXJC-IZPCHGGPSA-N 425.332 3.032 0 1 IGAF O=S(=O)(Nc1cccc(OCCCN2CCOCC2)c1)NC12CC3CC(CC(C3)C1)C2 40862505 WUWQLCINLBWEDJ-UHFFFAOYSA-N 449.617 3.003 0 1 IGAF CC(=O)NC[C@H]1CN(c2ccc(-c3cccc(-c4nnc5ncccn45)c3)c(F)c2)C(=O)O1 72180573 LXPZRWQUSYWTOM-SFHVURJKSA-N 446.442 3.059 0 1 IGAF O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2)c1ccccc1 82224107 ZNDVBOJNSMRMOF-UHFFFAOYSA-N 431.279 3.043 0 1 IGAF Cc1cccc2cc(Cn3nc(C(C)(C)O)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12 88345680 LLOJBGUZWFEGFN-UHFFFAOYSA-N 440.507 3.297 0 1 IGAF O=C(Cc1ccccc1)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)NS(=O)(=O)c1ccc(F)cc1 100893068 JTCSNSBWIPRQIB-BWTSREIZSA-N 446.500 3.005 0 1 IGAF Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1-c1nc2ccc(N3CCOCC3)cc2o1 103247696 LTLLZDPWFKVOQY-UHFFFAOYSA-N 445.527 3.097 0 1 IGAF Cc1ccccc1N1CCN(C[C@@H](O)COCCOc2ccc(Br)cc2)CC1 103254510 VNFPKFYCBOMNSW-HXUWFJFHSA-N 449.389 3.336 0 1 IGAF O=C(c1ccc2c(-c3nc4ccccc4[nH]3)n[nH]c2c1)N1CCN(C(=O)c2ccco2)CC1 148057131 HZPQJVWBYNKBBP-UHFFFAOYSA-N 440.463 3.297 0 1 IGAF 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CN(C)C(=O)c1cccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3CCCO3)nc2=O)c1 220201710 ZKZFTMUFURDVNU-OAQYLSRUSA-N 445.519 3.393 0 1 IGAF CCO[C@H]1O[C@@H](OCC)[C@@H](O)[C@]1(O)CC[C@]1(C)[C@@H](C)CC[C@]2(C)C(C(=O)O)=CCC[C@H]21 238743081 JFCPPPHVVNHFMB-HMOJWIGVSA-N 440.577 3.478 0 1 IGAF CC(=O)O[C@H]1[C@@H](O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]45O[C@@]35CC[C@@H]12 255248903 NUTWLWRRBYSMBJ-IBFCZGPVSA-N 430.541 3.306 0 1 IGAF NC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2c1 587140236 JYBPSUHZLNFGBX-UHFFFAOYSA-N 428.420 3.408 0 1 IGAF COC(=O)c1ccnc2[nH]c(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)nc12 587155794 HJXQKYRGJZVPKG-UHFFFAOYSA-N 426.429 3.351 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](NC(=O)C(F)(F)F)c3cc4c(cc31)OCO4)O2 587380128 AZQSDTMNPLRHIX-VLIAUNLRSA-N 434.370 3.290 0 1 IGAF CN(CC(=O)O)S(=O)(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530785 HJPHDSPGPOTGJU-HSZRJFAPSA-N 443.521 3.151 0 1 IGAF Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2cc(O)ccc2C1=O 587562721 JNKSNEZFZQLSPH-OALUTQOASA-N 443.415 3.000 0 1 IGAF CCn1cc([C@@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1 587582811 REMWOOHZLPMDMH-WIOPSUGQSA-N 449.507 3.106 0 1 IGAF CC(C)(C)OC(=O)N1C[C@@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587590146 YASINWQXECLGAP-DJKDLEHESA-N 441.436 3.187 0 1 IGAF CCNC(=O)COc1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)ccc1OC 962623981 CTVXDDZIPCTJFM-NPMXOYFQSA-N 428.529 3.193 0 1 IGAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@H](C)[C@H]2[C@@H]1O 2356316694 IEWZIGXVWRHXMJ-SVAOELHLSA-N 427.589 3.262 0 1 IGAF COCCNC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3ccccc3)[C@H](C)[C@H]2[C@H]1O 2356446407 IMNSLXQBEVZIPN-FBFXLSCRSA-N 430.589 3.007 0 1 IGAF COCCCN1C(=O)[C@H](CC(=O)NCc2ccco2)CC(C(=O)N(C(C)C)C(C)C)=C1C 95570157 DDKOWABNXFSWAT-IBGZPJMESA-N 447.576 3.090 0 3 IGAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3cnco3)ccc(F)c12 3648916 YUBUIMRLUDWMJJ-UHFFFAOYSA-N 446.438 3.129 0 1 IGAF CCCc1nc(C)n2nc(N)nc2c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 3786591 BTXRCULRNOINGZ-UHFFFAOYSA-N 425.500 3.405 0 1 IGAF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2c(F)cccc2Cl)C1 4296194 OELKGHXKPHEUNY-JJXUHFIVSA-N 429.879 3.308 0 1 IGAF CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)C2)cc1 8605841 VQLITVQSUYWZPF-INIZCTEOSA-N 443.525 3.284 0 1 IGAF CCOC(=O)N1C=N[C@@]23[C@H](c4ccccc4)[C@@H](c4ccccc4)[C@@]12C(=O)N(C)C(=O)N3C 17217640 XKDZKJAXJPSBMV-PBIIQAGSSA-N 432.480 3.027 0 1 IGAF Cc1cc(COc2ccc(NC(=O)[C@@H]3CCC[C@]34NC(=O)NC4=O)cc2)c2ccccc2n1 28897321 ACGXBTDJTWEIEW-CPJSRVTESA-N 444.491 3.439 0 1 IGAF CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@@]2(C=C(Cl)[C@@H](O)[C@H]3O[C@H]32)O[C@H]1O 39182227 XKJXLFLLICSWJK-RQOFJAFOSA-N 439.980 3.322 0 1 IGAF O=C(CN1C(=O)CCc2ccccc21)Nc1scc(Br)c1-c1ncn[nH]1 66167134 JCKBTQZTGPJTII-UHFFFAOYSA-N 432.303 3.214 0 1 IGAF CC[C@H]1Cn2c(c(NC(=O)c3ccncc3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82208114 OKXDLYSGKAVVOM-IBGZPJMESA-N 441.491 3.063 0 1 IGAF COc1ccc(NC(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3Cc2ccccn2)cc1 95566982 NQYQWYBLZOGQEU-SGNDLWITSA-N 430.508 3.471 0 1 IGAF COc1ccccc1CN1[C@@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)Cc1ccccc1)C2 95664627 GFMCJIGILYDRQM-RPLLCQBOSA-N 442.559 3.479 0 1 IGAF CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1cnc(SC)n1Nc1ccccc1 103216288 LNSJWAFZRBNAKX-IBGZPJMESA-N 442.541 3.451 0 1 IGAF O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1 169701503 PGGLRAWFUJMQBN-HXUWFJFHSA-N 444.894 3.270 0 1 IGAF in-vitro Cn1cc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)c(C(=O)N2CCCCC2)n1 169701664 ZOLWDYVJTSDBCG-UHFFFAOYSA-N 446.515 3.105 0 1 IGAF CNC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ncnc(OCC4CC4)c3F)C2)cc1 261143427 NLUUHTBEJYQWSZ-KSSFIOAISA-N 429.496 3.052 0 1 IGAF COc1cc2nc(N3CCN(C)CC3)nc(NCCCCCN3CCCC3)c2cc1OC 299830861 YIRIJTBZEHODEH-UHFFFAOYSA-N 442.608 3.077 0 1 IGAF Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)OCc2ccccc2)cc1 299855623 BBCJBLNADOAKDK-YVNJGZBMSA-N 439.533 3.372 0 1 IGAF CC(C)COc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1Br 586922077 QHXMVZRBCVNPGW-UHFFFAOYSA-N 441.351 3.209 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C)cc(F)c3[nH]2)C(C)C)cc1 586932443 FLTHQFKYESZVRQ-IBGZPJMESA-N 432.521 3.322 0 1 IGAF N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccnc(O)c4[nH]2)cn3C2CC2)C1 587172524 HTNAOZFHTDZSBQ-CYBMUJFWSA-N 448.502 3.437 0 1 IGAF CS(=O)(=O)C[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573053 VFTPCKRPKLULOB-KNQAVFIVSA-N 428.437 3.433 0 1 IGAF CCOC(=O)[C@]1(c2cnc3ccccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589911 YRYSRSUDCZWADS-GBXCKJPGSA-N 430.416 3.460 0 1 IGAF C[C@H]1CN(c2n[nH]c3cc(NC(=O)N[C@@H](c4ccccc4)C(C)(C)O)ncc23)C[C@@H](C)O1 1772641219 DPRNZWSVFLTVAV-MDOVXXIYSA-N 438.532 3.205 0 1 IGAF CCCN1[C@@H](C)C(C(=O)OCC)=CN(Cc2ccc(Br)cc2)S1(=O)=O 61958960 ZYGJJCRATLBPQQ-ZDUSSCGKSA-N 431.352 3.057 0 3 IGAF COc1ccccc1-c1noc2c1C(=O)N(Cc1cn(-c3ccccc3OC)nn1)CC2 95601963 QPEFRFDEXHCMQQ-UHFFFAOYSA-N 431.452 3.138 0 3 IGAF COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCCO2)[C@@H]1c1c[nH]c2ccccc12 4034797 QFWMWBPCPSLZSV-VWMXVWASSA-N 447.535 3.390 0 1 IGAF O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 8589694 TXHFCLOWZBWNMU-HNNXBMFYSA-N 445.928 3.221 0 1 IGAF Cc1ccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)N1CCOCC1 15314425 NMLQEDQDZYWDQL-OQOKOFKUSA-N 446.613 3.351 0 1 IGAF Cc1cc(F)ccc1-n1cc(C(=O)O)c(=O)c2cc(F)c(N3C[C@@H](C)N[C@H](C)C3)cc21 26746952 YXOXXCCLXWLWBV-ZIAGYGMSSA-N 427.451 3.462 0 1 IGAF COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC 34290187 XQXXTTFZQSPXBR-MYDCNYLUSA-N 428.437 3.063 0 1 IGAF CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@H]2CC[C@@H](C3)N2C)cc1 68203969 KYHDRKVDXZQWIA-ZAAXVRCTSA-N 436.560 3.202 0 1 IGAF COc1ccccc1CCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccc(F)cc1 82141484 YPXDKHOYWWUYSS-UHFFFAOYSA-N 436.487 3.100 0 1 IGAF Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N[C@@H]2CCCC[C@@H]2C)c1 82145351 XYEHKCYIVGPPLP-HFSMHLIXSA-N 435.572 3.462 0 1 IGAF COc1cccc(CC(=O)N2CCc3c(c(=O)[nH]c4c3c(-c3ccccc3)nn4C)C2)c1 82196171 XDAYLPBSJQKIQA-UHFFFAOYSA-N 428.492 3.065 0 1 IGAF COc1ccc2c(Cc3cc(=O)n4c(c3C3CC3)SC[C@H]4C(=O)O)cc(=O)oc2c1 84652051 QLFMXZBNRFYLKS-INIZCTEOSA-N 425.462 3.163 0 1 IGAF CCC(=O)N1CC2(C1)CN(Cc1ccc(OC)cc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 95867466 UCDBBRPZLXDMLM-JOCHJYFZSA-N 449.551 3.224 0 1 IGAF Nc1ncc(-c2cccc(OC(F)(F)F)c2)nc1C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 101503410 KACWONWCFCFZRJ-XCAMAJPASA-N 448.445 3.294 0 1 IGAF CO[C@H]1CC[C@H](NC(=O)[C@@]2(C)CCCN2S(=O)(=O)c2cccc(Cl)c2C)CC1 103069668 AGHVSBKXEAJGDV-GQIGUUNPSA-N 428.982 3.265 0 1 IGAF O=C(c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1)N1CCN(c2ccccc2F)CC1 103879841 DPPCDERPQRCHKO-UOGRCSNTSA-N 445.494 3.100 0 1 IGAF CN(C)S(=O)(=O)Nc1cc(-c2cnc3cc(-c4cccnc4)ccn23)cnc1Cl 113758258 OSTBUXXDCRXENK-UHFFFAOYSA-N 428.905 3.330 0 1 IGAF CCCc1ncc(Cc2ccc3oc(=O)n(CC(N)=O)c3c2)c2cc(OC)c(OC)cc12 148679343 SYRVKPGFLQOHCV-UHFFFAOYSA-N 435.480 3.189 0 1 IGAF O=C(N1CCc2ccc(C(F)(F)F)cc2C1)[C@@]12CCO[C@@H]1C[C@@H](NC1CCOCC1)C2 169705997 HBUDXPHYMVPJQY-KCZVDYSFSA-N 438.490 3.296 0 1 IGAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CCCC[C@@H]3O)cc2F)cn1 212166225 ZQPHTXPTKFVEIA-QUCCMNQESA-N 442.516 3.114 0 1 IGAF CCn1ccc2cc(Nc3nccc(-n4cc(CN5CC(O)C5)c(C5CC5)n4)n3)ccc21 220170347 UAGPVZZDSWKMHX-UHFFFAOYSA-N 429.528 3.434 0 1 IGAF C[C@@H]1Cc2c(nnn2-c2ncc(F)cn2)CN1C(=O)c1ccc(Cl)c(F)c1Cl 225985677 CNHAYJAGGMXLMZ-MRVPVSSYSA-N 425.226 3.229 0 1 IGAF Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccc(C)cc32)[C@@H]2CCCN21 253776546 AJLWQLFSQWOCDO-CNXCYTMISA-N 428.536 3.241 0 1 IGAF O=C(C[C@@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1 261095488 FIMDFCHHYZMXDV-ACRUOGEOSA-N 443.588 3.172 0 1 IGAF O=C(c1ccccc1-n1nccn1)N1C[C@H]2C[C@H](Oc3ncccc3C(F)(F)F)[C@H]1C2 261186665 XPOSFFXHDZGZMB-XWIAVFTESA-N 429.402 3.363 0 1 IGAF O=C(N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CCCC1 263621131 VMTZDIHMLVWUQZ-VXQHZGQTSA-N 426.561 3.004 0 1 IGAF in-vitro O=C1Nc2ccc(Cl)cc2[C@]12c1c(O)nc(O)nc1Nc1[nH]nc(-c3ccccc3)c12 299863600 LEYBSCBLZTXRNU-NRFANRHFSA-N 432.827 3.275 0 1 IGAF C[C@@H](Cc1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1)N(C)C 587190068 GEONHADIUZRHLI-SFHVURJKSA-N 434.588 3.055 0 1 IGAF O=C(O)COc1ccc([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1Cl 962975043 XFYZFUUEHJANFE-YVEFUNNKSA-N 432.206 3.423 0 1 IGAF O[C@](CN[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1)(c1cccnc1)C(F)(F)F 1772636458 SQWIAXGMZFHLAX-WAWZGNHOSA-N 445.449 3.067 0 1 IGAF COc1cccc(N=c2[nH]c(Nc3ccc(N4CCN(C)CC4)cn3)ncc2Cl)c1 1911571249 BBDLGEJJPNXUSB-UHFFFAOYSA-N 425.924 3.195 0 1 IGAF CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)Nc1cccc(O)c1 2356811642 BFODQKICPLHSFZ-SJORKVTESA-N 432.542 3.466 0 1 IGAF CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 61921002 DAWUOTUQHPKEIQ-SFHVURJKSA-N 425.573 3.364 0 3 IGAF CNc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)Nc1cccc(O)c1 4222507 OUQOTAOPKIVOIG-MVAUCRKUSA-N 445.585 3.335 0 1 IGAF biogenic COc1ccc(CC(=O)Nc2cc3c4c(cccc4c2)C(=O)N(CCN(C)C)C3=O)cc1 28712237 YTQOMKQMSYYYRY-UHFFFAOYSA-N 431.492 3.187 0 1 IGAF CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CCNCC3)n2)cc1 38732839 BRVRJAZHVITNIF-UHFFFAOYSA-N 438.561 3.161 0 1 IGAF COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1 40866544 PILVVZXXLLAZDK-UHFFFAOYSA-N 427.892 3.411 0 1 IGAF Cn1cc(-c2cc(S(=O)(=O)N3CCCC3)ccc2OCC2CC2)c2cc[nH]c2c1=O 146455755 JOPNRBJORIYXKO-UHFFFAOYSA-N 427.526 3.107 0 1 IGAF O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCN(c2ccccc2F)CC1 168985082 IKWOALHBRXRBEE-UHFFFAOYSA-N 446.526 3.341 0 1 IGAF CN1CCN(CCOc2cccc(CC(=O)Nc3nc(-c4ccncc4)cs3)c2)CC1 202492645 PADYJAMUQWJVKH-UHFFFAOYSA-N 437.569 3.013 0 1 IGAF CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(-c3cnn(C)c3)c2[nH]1 205650889 JNUCTSGRAQTLNW-UHFFFAOYSA-N 441.499 3.204 0 1 IGAF CC(C)S(=O)(=O)c1c(Cl)ccc(Nc2nc(O)cc(C3CCOCC3)n2)c1O 299839959 UDPYGVKYTRIFOI-UHFFFAOYSA-N 427.910 3.361 0 1 IGAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 299873974 AQNNGQUXQTZZPS-JKLQHZFJSA-N 442.556 3.035 0 1 IGAF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C3(O)CCOCC3)[nH]c2c1 586913642 OJFXVEJIYWRXMV-UHFFFAOYSA-N 441.431 3.381 0 1 IGAF NC(=O)c1cccc(C[C@H](N)c2nc3cc(Br)c(Br)cc3[nH]2)c1 587259991 PKAASSUBJMFALN-LBPRGKRZSA-N 438.123 3.429 0 1 IGAF COC(=O)C1=C2CCCN2C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343880 DTJVSHPTUTYHTE-YKSBVNFPSA-N 437.423 3.082 0 1 IGAF O=C1c2ccc(O)cc2O[C@]2(CNS(=O)(=O)c3ccsc32)[C@@H]1c1ccc(F)cc1 587371609 CHZARNKPQQXZDL-YLJYHZDGSA-N 431.466 3.139 0 1 IGAF CCCc1c(O)ccc2c1O[C@](CNC(=O)CCC(=O)O)(c1ccc(F)cc1F)CC2=O 587468593 YOZMLRJZPCXECM-HSZRJFAPSA-N 447.434 3.465 0 1 IGAF O=C(O)CCNS(=O)(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532964 QUWBVAUOFJREGB-FQEVSTJZSA-N 429.494 3.025 0 1 IGAF C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-n3ncc4ccc(Cl)cc4c3=O)nc2)C1 587655024 RQSOOPOVLHPJIM-ZIAGYGMSSA-N 432.933 3.101 0 1 IGAF COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)N[C@@H](C)Cc1cc(Br)c(F)cc12 587809409 RHPKMKWXJKHLOC-VCLWLLERSA-N 428.298 3.080 0 1 IGAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(CC=Cn3c2nc(Cl)cc3=O)N1 963172762 DNRVKLDMKYWMJX-BTDLBPIBSA-N 446.212 3.286 0 1 IGAF Cc1cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc(C)c1OCC(=O)NCC(C)C 963506063 DXHDGXKRTVXGRB-CVDCTZTESA-N 440.540 3.157 0 1 IGAF O=C(N[C@@H]1CCc2cccnc21)c1csc(CCNCCc2nc3ccccc3[nH]2)n1 1857612335 QJYQJKVPTOYDFZ-GOSISDBHSA-N 432.553 3.207 0 1 IGAF CCCC(=O)OC[C@@H]1[C@@H](c2ccc(O)c(OC)c2)OC[C@]1(O)Cc1ccc(O)c(OC)c1 2356544194 GLVJBBUJACXZKA-UOKFIYJESA-N 446.496 3.120 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@](C)(O)[C@@H](C)C2 2356592907 PJFZHXYACPYUQW-MFJUMASVSA-N 432.469 3.093 0 1 IGAF Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N1CCc2ccccc2C1 6577905 GOOFWFQYEKETBM-UHFFFAOYSA-N 428.485 3.289 0 3 IGAF COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4ccc(C(N)=O)cc4)ccnc3O2)cc1OC 61906843 ZSIXRCSJNSYKLF-DEOSSOPVSA-N 433.464 3.197 0 3 IGAF C[C@@]1(C(=O)Nc2ccc3c(c2)OCCO3)CSCC(=O)N1CCc1ccccc1F 199231286 MJOBOHPRQORKAU-QFIPXVFZSA-N 430.501 3.112 0 3 IGAF O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F 4055201 NDCDELKLMXFYTJ-HKUYNNGSSA-N 441.286 3.349 0 1 IGAF C1CSC(Sc2nc(SC3=NCCS3)nc(SC3=NCCS3)n2)=N1 6001878 FGOCRTPTSNKWRK-UHFFFAOYSA-N 432.672 3.456 0 1 IGAF Cc1cc(C)n(-c2cc(NC(=O)CN3CC[C@H](OC(C)C)C3)nc(-c3ccc(C)o3)n2)n1 14975565 KGHBKXALSJLZKK-SFHVURJKSA-N 438.532 3.285 0 1 IGAF CC(C)(C)c1ccc(N2C(=O)[C@@H]3C[C@H](NC(=O)[C@@H](O)c4ccccc4)CCN3C2=O)cc1 25199521 MFAMIYQHFMRVFF-GIVPXCGWSA-N 435.524 3.134 0 1 IGAF biogenic O=C1C[C@@H](c2ccccc2C(F)(F)F)C(=O)N1CCN1CCN(c2ccccc2)CC1 40424103 RWKVCPAZCDQBDS-IBGZPJMESA-N 431.458 3.370 0 1 IGAF O=C(O)c1ccc(OCCn2c(=O)on(C(c3ccccc3)c3ccccc3)c2=O)cc1 40565010 RIVUMQPAWWBLII-UHFFFAOYSA-N 432.432 3.018 0 1 IGAF COc1ccc2nccc([C@@H](O)CN3CCC(NC(=O)c4cc5cccnc5[nH]4)CC3)c2c1 45227522 MQTZSGPTFQRLRW-QHCPKHFHSA-N 445.523 3.048 0 1 IGAF COC1=C(CO)C(=O)O/C1=C1/OC2=CCCN3[C@H]([C@@H](O)CCC(C)C)CCC[C@H]3[C@H]2[C@@H]1C 85532548 FJKTVMIXYWERGH-XDHYXFCVSA-N 447.572 3.238 0 1 IGAF biogenic,in-vitro S=C1N=C2/C(=C/c3ccccc3)CN(CCN3CCOCC3)C[C@H]2[C@@H](c2ccccc2)N1 169730309 VHMXDGHJKLMBPQ-CAQQSUDHSA-N 446.620 3.404 0 1 IGAF COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)C[Si](C)(C)c1ccccc1 194963222 IDORQVUKZJZBIJ-IHAXBVOBSA-N 446.660 3.167 0 1 IGAF N#Cc1cc(Cl)ccc1N1CCOc2cc(S(=O)(=O)Nc3ccncn3)ccc21 220236365 MOSHPLLIHLRACC-UHFFFAOYSA-N 427.873 3.333 0 1 IGAF CC(C)(C)[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224719879 PTVLIGOMBCJSMA-HXUWFJFHSA-N 444.532 3.217 0 1 IGAF COc1cc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2cc1OC 586946035 MZNMYQVDBYSUOT-CQSZACIVSA-N 431.514 3.013 0 1 IGAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccnc(OC)c2[nH]1 586956549 NRSMFUWAFSUNKS-UHFFFAOYSA-N 436.493 3.394 0 1 IGAF Cc1c(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074059 QEBCYKFSFKTODO-UHFFFAOYSA-N 430.921 3.082 0 1 IGAF NS(=O)(=O)c1cccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c12 587154176 LYISDOJNRDNHSC-UHFFFAOYSA-N 440.456 3.034 0 1 IGAF CNS(=O)(=O)c1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587449019 OGHKUCUCMLIDHZ-OPAMFIHVSA-N 425.462 3.352 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1SCC2(CO)CO 587618435 OSJBROHEMYNDFL-GBXCKJPGSA-N 436.485 3.326 0 1 IGAF CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)N[C@@H](C)Cc1cc(Br)c(F)cc12 587800190 VVGUYGGLYSIBCR-MJAJYPSFSA-N 442.325 3.470 0 1 IGAF O=C1C[C@@H](CNC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CN1 1772583856 PRQRUBMCXWGZCX-GFCCVEGCSA-N 430.386 3.307 0 1 IGAF Cc1nc2c(N3CCOCC3)ncnc2n1Cc1ccc(C(=O)Nc2ccccc2)cc1 1772617549 AZRYOEWXLQRGAP-UHFFFAOYSA-N 428.496 3.272 0 1 IGAF CC=C(C)C(=O)OC(C)(C)[C@@]1(CC2=CN[C@H](N)C=C2)Cc2cc3ccc(=O)oc3cc2O1 2356873844 YJHMWPBNRCOVRE-SQJMNOBHSA-N 436.508 3.473 0 1 IGAF Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)OCc4c(ccc5ccccc45)O3)O2)c(=O)[nH]c1=O 3596699 KGWFETRZCYQEIS-TYBGOBEXSA-N 442.364 3.186 0 1 IGAF COc1ccc(OC)c(NC(=O)Cn2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)c1 8604935 FIUNWKQQJJKNPC-UHFFFAOYSA-N 432.480 3.366 0 1 IGAF COc1ccccc1N1CCN(CCCCNC(=O)c2coc3ccccc3c2=O)CC1 13526210 TZFCALVMYKNULT-UHFFFAOYSA-N 435.524 3.134 0 1 IGAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(C(F)(F)F)nc2sc(C)cn12 29132252 XAUDUPYNNKYCBB-UHFFFAOYSA-N 429.420 3.304 0 1 IGAF CN1CCC(N(C)C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1 49050273 HLCGQIDKBLKLOC-UHFFFAOYSA-N 427.508 3.103 0 1 IGAF O=C(C[C@@H](c1ccc(F)cc1)c1cccc(F)c1)N1CCN(Cc2nc(CO)co2)CC1 66258683 WNJVHDCHIVYQBJ-QFIPXVFZSA-N 441.478 3.312 0 1 IGAF CCCC(=O)N1CCC2(CC1)CN(C(=O)CC)[C@H](CO)c1c2c2ccc(OC)cc2n1C 95868569 ZSNMNHIZRBIHOH-HXUWFJFHSA-N 441.572 3.133 0 1 IGAF CN1CCN(CCCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)CC1 104249183 CQAQDONUIPXBGH-GGAORHGYSA-N 440.975 3.186 0 1 IGAF Cn1c(N2CCC[C@@H](c3ccc(N4CCCC4)cc3)C2)nc(-c2ncncc2F)cc1=O 143402113 LAJZWJRXRVTCNU-GOSISDBHSA-N 434.519 3.361 0 1 IGAF Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(O)CC3)cc2F)cn1 224772799 VHJBVDXTAKRGCH-UHFFFAOYSA-N 427.501 3.282 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)CC4CC4)ncc3F)C2)cc1 261076536 AZADJROOYGOMLK-MGPUTAFESA-N 427.524 3.317 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@@H](O)CC 299881807 ORMAYFFABOHALT-PNDGYVOYSA-N 442.512 3.081 0 1 IGAF O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2c(S)nc(S)nc2[nH]1 586947175 XWHGHGYDDXRYMH-UHFFFAOYSA-N 441.610 3.199 0 1 IGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc3c(cc2[nH]1)OCCCO3 586965725 WGNIJLFYUYWAGC-UHFFFAOYSA-N 425.518 3.181 0 1 IGAF COC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2n1 587239647 MOQYVGOUOXLCCF-XTCJLCLGSA-N 430.505 3.300 0 1 IGAF CC(C)(O)[C@]1(c2ccc(OCCO)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594773 IXWTWFVOWPWVLW-PXDATVDWSA-N 436.460 3.391 0 1 IGAF C[C@@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]2CC[C@@H]2[C@@H]3CC[C@@H]3C[C@H](O)[C@H](O)C[C@@]32C)O[C@@]12CC[C@H](CO)CO2 2356350050 TYEISUDLPPCZRD-FUFPMPCQSA-N 434.617 3.347 0 1 IGAF COc1ccc(CN2C(=O)[C@@H](CC(=O)NC3CCCCC3)CC(C(=O)N(C)C)=C2C)cc1 61923386 UOKVGZMMNJBBJI-LJQANCHMSA-N 441.572 3.245 0 3 IGAF COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@@H]2OC(=O)c2ccc(Cl)cc2)cc1 13830915 AUWPSWVHPMLLIK-SLFFLAALSA-N 433.913 3.290 0 1 IGAF CCOC(=O)[C@@](Cc1ccco1)(NC(C)=O)C(=O)Nc1nc2c(Cl)cccc2s1 39107741 LTQNKWCULFPBEF-IBGZPJMESA-N 435.889 3.162 0 1 IGAF CCCCNC(=O)[C@H](C)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N21 43746549 DNQUTTHKHKFATN-XFEAKLGESA-N 444.535 3.059 0 1 IGAF biogenic O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1ccccn1 95556078 KSSZQVWXWHOPPO-QFIPXVFZSA-N 425.492 3.172 0 1 IGAF O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1cc(Cl)cc(Cl)c1 95903442 BEXHONHOIJOFFZ-GBESFXJTSA-N 443.371 3.328 0 1 IGAF CCOc1cc(NC(=O)c2cc(-c3ccc(CN4CCOCC4)s3)cnc2N)ccn1 150125884 CMRSPQFHPQBQIK-UHFFFAOYSA-N 439.541 3.271 0 1 IGAF COC1=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]3[C@@H]1OC(=O)[C@@H](O)c1ccccc1)OCO4 169319059 RVOVORMRBUPKAZ-TWZJLLKVSA-N 449.503 3.079 0 1 IGAF Nc1nc(-n2cc(-c3ccccn3)cn2)nc(NCc2cncs2)c1Br 217088647 QYJQVKOFFIENGF-UHFFFAOYSA-N 429.307 3.138 0 1 IGAF COc1cc([C@@H]2OC[C@@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@@]23OC(C)=O)ccc1O 257803305 ZVILPMKYRJCFAE-PMQPGWGVSA-N 430.453 3.179 0 1 IGAF endogenous,in-man CCOC(=O)N1C=N[C@]23[C@H](c4ccccc4)[C@H](c4ccccc4)[C@]12C(=O)N(C)C(=O)N3C 299816884 XKDZKJAXJPSBMV-LUZMIZLMSA-N 432.480 3.027 0 1 IGAF CCCS(=O)(=O)N1CCC(c2nc3cccc(I)c3[nH]2)CC1 586953186 QHKFMBIPFBEWHA-UHFFFAOYSA-N 433.315 3.087 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587174220 GSFYOAIHKFQARA-QGZVFWFLSA-N 429.521 3.456 0 1 IGAF Nc1cc(Br)ncc1[C@H]1N[C@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962696653 AJACMTYLBRABDC-JSGCOSHPSA-N 434.187 3.273 0 1 IGAF COc1ccc(Br)cc1[C@]1(C(=O)O)N[C@@H](C)Cc2c(OC)ccc(OC)c21 963579931 JWLAFLKINQNIQL-YBTHPKLGSA-N 436.302 3.337 0 1 IGAF C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)c3coc(C(F)(F)F)n3)cs2)CO1 1772580872 OFGNUYLKKKCTPY-VQLIFVOLSA-N 447.464 3.294 0 1 IGAF Cc1ccc(F)c(OC2CN([C@@H](C)c3nc(O)c4cnn(C5CCOCC5)c4n3)C2)c1 1772629737 DMDSYUYWTPBDBT-AWEZNQCLSA-N 427.480 3.155 0 1 IGAF CCn1cc(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4ccccc4)c(F)c3)n2)cn1 1772647066 RZVHKEAIFXXYPS-OAQYLSRUSA-N 446.486 3.212 0 1 IGAF CCSc1nnc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2C)s1 104036538 WDVOMBMXGZABTA-KAMYIIQDSA-N 431.572 3.213 0 3 IGAF CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)NCc1ccc(F)cc1 28702157 QANKXFNUEGXTLP-LJQANCHMSA-N 426.448 3.254 0 1 IGAF CN1CCN(C(=O)CN[C@H]2C[C@@H]2c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)CC1 96172307 NHJJMHKNDUIOBH-RTWAWAEBSA-N 433.474 3.472 0 1 IGAF CO[C@]12C=C[C@]3([C@H]4[C@@H]1CC(C)(C)[C@@H]4O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 100576359 BANTYRLFVMBWRP-HBBNMUFUSA-N 449.591 3.410 0 1 IGAF CCCC[C@@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169365522 BZTWKTRXVDPWHM-NAZDKBRTSA-N 436.508 3.334 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@@H]4N=C(C(=O)OCC(C)C)[C@@H](C)[C@@H]4C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169715921 ASPBBPVAKRSZTC-BQEPASFISA-N 438.568 3.249 0 1 IGAF COC[C@H](C)Oc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2C)n1 205287345 XTTOCIBKPFNOEI-IAOVAPTHSA-N 433.516 3.246 0 1 IGAF Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@@H]4C[C@H]3CO4)cc2F)cn1 224802497 NELGVJOKSYDWGT-IRXDYDNUSA-N 425.485 3.299 0 1 IGAF COc1cc(OC)c(-c2coc3cc(OCCN4CCOCC4)ccc3c2=O)cc1OC 299839075 PRAKRFXVEQTVPB-UHFFFAOYSA-N 441.480 3.197 0 1 IGAF Oc1nc(N2CCOCC2)nc(N[C@@H]2CCC[C@@H](O)C2)c1-c1nc2ccccc2s1 473115850 UTHLBNANUVJKKV-ZIAGYGMSSA-N 427.530 3.011 0 1 IGAF O=C(O)c1cccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587171385 YBDKYDGSZRVFLF-SFHVURJKSA-N 425.441 3.468 0 1 IGAF NS(=O)(=O)c1ccc(Oc2cn(-c3nc(C(=O)O)cs3)nc2-c2ccccc2)cc1 1772575651 MHQJLGSHTNDCGV-UHFFFAOYSA-N 442.478 3.134 0 1 IGAF O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cc2c(s1)CCN(c1ccccc1)C2 1857571089 ZJSCPGUZYRXBTQ-QHCPKHFHSA-N 447.604 3.460 0 1 IGAF CN1CCCN(c2ncc(-c3ccc4c(N(C)c5cnccn5)ccnc4c3)cn2)CC1 1857574234 HHRKMPBRFFSYNB-UHFFFAOYSA-N 426.528 3.392 0 1 IGAF C[C@@]1(C(=O)N[C@H]2CCCC[C@@H]2O)CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 1857751294 RGAAIXISKHZQJK-KJOQGJGQSA-N 446.551 3.450 0 1 IGAF CC(=O)O[C@H]1C[C@]2(O)[C@H](CC[C@]3(C)[C@H]([C@@H](C)OC(C)=O)CC[C@@]23O)[C@@]2(C)CC[C@H]3C[C@]312 2356429471 VVZPGBWASVYVEL-GJLMOHPCSA-N 434.573 3.368 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(OC(C)=O)[C@@H]2CC=C(C)[C@@H]2[C@@H]2OC(=O)[C@](C)(OC(C)=O)[C@@H]21 2356467595 WXAJADWYCXGFFJ-MLNIDPKRSA-N 448.512 3.036 0 1 IGAF CC[C@@H]1[C@H](C(=COC)C(=O)OC)C[C@@H]2N(CC[C@@]23C(=O)Nc2ccccc23)[C@@H]1CC(C)=O 2356520002 VWNYHBABHBBFQC-QFMMERLLSA-N 440.540 3.048 0 1 IGAF Nc1ccccc1CNC(=O)[C@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 4201914 KZQKVKVLNYELDK-FYYLOGMGSA-N 447.535 3.411 0 1 IGAF CC(=O)N[C@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)Cc1ccccc1 14637971 UBQCFEASTTXIKB-LOSJGSFVSA-N 444.531 3.318 0 1 IGAF biogenic,in-vitro O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)c1cc(F)cc(N2CCOCC2)c1 45496574 QFKAWABYQZOQOY-UHFFFAOYSA-N 449.442 3.272 0 1 IGAF 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O=C(O)CN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1 205786280 OLTATYQTWVJLBW-UHFFFAOYSA-N 428.439 3.035 0 1 IGAF COC(=O)c1c(C(=O)OC)c2cccc(C)n2c1C(=O)c1cc(OC)c(OC)c(OC)c1 299820164 FBVCMJKKTFAKHD-UHFFFAOYSA-N 441.436 3.078 0 1 IGAF Cc1ccc(NC(=S)NC2CCN(CCn3c(=O)ccc4ncc(F)cc43)CC2)cc1 299833597 YSUNESZFJYJRJW-UHFFFAOYSA-N 439.560 3.295 0 1 IGAF COC(=O)[C@]1(Cc2cccc(OC)c2)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 299840938 WYHOQOVNZLAVDA-FYYLOGMGSA-N 430.453 3.111 0 1 IGAF COc1cc2c3c(c1)O[C@H](c1cnc(N4CCN(CC(F)(F)F)CC4)s1)[C@@H](C2)C3=O 587420656 LLDSZPCNVOCLNO-UGSOOPFHSA-N 439.459 3.325 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc(N3CCOCC3)ccc12 587591454 FJTGAFWLNZWCKI-SQJMNOBHSA-N 444.443 3.038 0 1 IGAF O=C1COc2ccccc2N1CC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661882 SPYCJWSXJNIGGH-UHFFFAOYSA-N 429.407 3.268 0 1 IGAF COc1ccc(I)cc1[C@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963036716 UWMVYLSLVCBLFQ-WYRIXSBYSA-N 434.277 3.443 0 1 IGAF COc1ccc(-n2c(N)c([C@H]3NCCc4c(Cl)cc(Cl)cc43)c(O)nc2=O)cc1 963114160 XANCBFYUTQQKPA-KRWDZBQOSA-N 433.295 3.071 0 1 IGAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@@H](O)[C@H](O)C1 1772645668 AUPWWVIZKYGGSL-QZTJIDSGSA-N 433.386 3.009 0 1 IGAF Cc1c(-c2cccc(S(=O)(=O)N(C)C)c2)c2ccc(C(=O)O)cc2n1C/C(F)=C/CN 1857558231 JKFARAGHJZMDQI-MFOYZWKCSA-N 445.516 3.377 0 1 IGAF COc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 1857619283 BQTCRVQNTZREFX-UHFFFAOYSA-N 428.485 3.243 0 1 IGAF C[C@@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@@]32C)O[C@]12CC[C@H](CO)CN2 2356737085 RFENQHCDYDELRG-TXDBDJJYSA-N 445.644 3.230 0 1 IGAF COc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c2c1 19084843 PMBSCFVSSGAIJL-JOCHJYFZSA-N 444.539 3.426 0 3 IGAF O=C(O)CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358385 KHLBKUCUEUCPCK-FQEVSTJZSA-N 427.453 3.132 0 1 IGAF CC(=O)SC[C@H](Cc1ccccc1)C(=O)N[C@H](CSCc1ccc(C)cc1)C(N)=O 26487937 PUSQLVCDLZRNCT-LEWJYISDSA-N 444.622 3.337 0 1 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449.356 3.098 0 1 IGAF CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1C[C@@H]3CC[C@@H](C1)N3)c1cc(Cl)ccc1-2 100824366 SIBIJNXNBQFNMM-GJZGRUSLSA-N 443.935 3.357 0 1 IGAF COc1cc([C@@H]2Oc3ccc(C(=O)C[C@H]4CCCN4)cc3O[C@H]2[C@H]2CCCN2)ccc1O 238774766 PIIRYYAPUZGQSP-GEUPUMGHSA-N 438.524 3.359 0 1 IGAF C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@H](Cn3ccnc3I)[C@@H]2CC1 299822096 OXHYONLNZPFQNT-MNGFYEIYSA-N 442.297 3.323 0 1 IGAF COc1cc(Nc2nc3n(n2)[C@H](C2CC2)CCN3CC(C)(C)O)ccc1-n1cnc(C)c1 299835455 WDXKBGZDWVEVOL-SFHVURJKSA-N 437.548 3.457 0 1 IGAF O=C(O)CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587594628 NGIJGCGDEHOUIT-HYBUGGRVSA-N 431.400 3.071 0 1 IGAF CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605241 BPSUQDNHLJEZRX-DVZBENKUSA-N 443.521 3.207 0 1 IGAF O=C(c1cnc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)nc1)N1CCCC1 587656724 LHUUKYWSZGJOCE-UHFFFAOYSA-N 433.418 3.357 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cnn(C)c2)(c2cnn(C)c2)N1 587763135 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DJSDTXDDIHJYDT-NMLBUPMWSA-N 437.506 3.483 0 1 IGAF CC1(C)C[C@@H](NCc2ccccn2)[C@@]2(CCC(=O)N3CCOCC3)CC[C@](C)(O)C[C@@H]12 2356865326 WBHAJUATCQEYOV-JQOLTRQRSA-N 429.605 3.146 0 1 IGAF COc1cc(CN2C(=O)[C@H](CCc3ccccc3)ON=C2c2cnccn2)cc(OC)c1 61908148 AGTHYBJHCXERNU-QFIPXVFZSA-N 432.480 3.216 0 3 IGAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC 4296173 KYROUZKORBPBOT-GMAHTHKFSA-N 425.529 3.254 0 1 IGAF COc1ccc(NC(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)N3CCCC[C@H]23)cc1OC 9777025 QUVTUUOYJAZNKQ-VGOFRKELSA-N 440.496 3.452 0 1 IGAF COc1cccc2c(C(=O)N[C@@H]3C(C)(C)[C@@H]4CC[C@@]3(C)C4)nn(CCN3CCOCC3)c12 13519832 CPTXZVAIZCMESQ-HGMMTPDKSA-N 440.588 3.322 0 1 IGAF Cc1c(OCCN2CCN(c3ccccc3)CC2)ccc2c(=O)cc(N3CCOCC3)oc12 13832084 LUGBXOCTURNZFQ-UHFFFAOYSA-N 449.551 3.139 0 1 IGAF O=C(O)c1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)[C@H](c1ccccc1F)S2 27524851 LSLQLOXETFSCKH-IBGZPJMESA-N 429.448 3.040 0 1 IGAF O=C(CNC(=O)c1ccccc1C(F)(F)F)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 29125743 XVPMLMSSVMKOOV-MRXNPFEDSA-N 439.865 3.479 0 1 IGAF O=C(O)c1ccc(Cn2cnc3cnc(C(=O)NCc4ccc(Cl)cc4)cc3c2=O)cc1 29133014 URVUJTFFOUHNFN-UHFFFAOYSA-N 448.866 3.121 0 1 IGAF COc1ccc([C@@H]2CN=C3C(=O)c4ccn(S(=O)(=O)c5ccc(C)cc5)c4C(=O)[C@@H]32)cc1 58480419 BXBHAIYRHGALLG-VQTJNVASSA-N 448.500 3.276 0 1 IGAF c1cncc(CN(CCCNCc2ccc3c(c2)OCO3)c2nc(-n3ccnc3)ns2)c1 73169882 RTGRUARHHKLBFL-UHFFFAOYSA-N 449.540 3.034 0 1 IGAF COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H]3C(=O)NCc3ccco3)cs2)c1 82085158 CDICMGXFGWIMEC-LJQANCHMSA-N 441.509 3.341 0 1 IGAF O=C(N[C@@H]1CCc2ccccc21)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 82218309 NKRMWEPSKTVLRC-KIFXHHALSA-N 442.519 3.080 0 1 IGAF COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@H]3C2)c1 95797598 CXDBYTLNSJYCTB-OYRHQHFDSA-N 447.535 3.466 0 1 IGAF C/C=C/c1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]23)cc1 95874779 PKTKXGGQIIBWIG-IMUNSOENSA-N 444.572 3.472 0 1 IGAF CCCCOC(=O)[C@H](CCC(=O)O)NC(=O)c1cc2c([nH]c3ccccc32)c(C(C)=O)n1 96086350 BKMWCGBCBLMQHX-KRWDZBQOSA-N 439.468 3.225 0 1 IGAF CNC(=O)c1cccc(-c2cc(C3=NCc4ccnc(OC5CCOCC5)c43)ccn2)c1 96176083 NUMSEABSOLRODU-UHFFFAOYSA-N 428.492 3.412 0 1 IGAF CN1CCN(CCCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)CC1 104199912 WBMUSPXXVDKBJN-CTNGQTDRSA-N 447.004 3.247 0 1 IGAF CN(CCOc1cc(Cl)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)S(C)(=O)=O 144839289 JTCOKPSUXXRXHE-KRWDZBQOSA-N 435.851 3.389 0 1 IGAF CNC(=O)c1cc(F)cc(N(CC(C)(C)O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204160869 DCPCRIARGMFUEP-UHFFFAOYSA-N 448.502 3.438 0 1 IGAF COc1cc(/C=C/C(=O)NC[C@H](O)CNc2c3c(nc4ccccc24)CCCC3)ccc1O 299868186 RDJOOCOIKQABAX-YLZCUGDYSA-N 447.535 3.430 0 1 IGAF O=C(c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1)N1CCN(CCO)CC1 587175616 WDWKELQUAIIQJR-UHFFFAOYSA-N 441.894 3.254 0 1 IGAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587231783 QTOWPDCFUPRTDZ-UHFFFAOYSA-N 436.299 3.212 0 1 IGAF CCCc1c(O)ccc2c1O[C@H]([C@H]1O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]31)CC2=O 587493717 VJYCLRZWIZOEAL-BFNCPCAZSA-N 434.485 3.075 0 1 IGAF 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CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)Cc2ccccc2OC)C1 82198167 PUXHPSCVUDKXLC-UNMCSNQZSA-N 442.531 3.479 0 1 IGAF CSc1ccccc1OCCN1CC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C1 95571980 KGZLHIUAOKRDKJ-MRXNPFEDSA-N 426.991 3.494 0 1 IGAF O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95866095 UKYDEORRERRMRS-XFAFFCHDSA-N 426.516 3.094 0 1 IGAF O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO 95875725 CCWJFBVUUQTVRE-DSNGMDLFSA-N 446.526 3.348 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 95893769 ABQUSIFMIMPGPZ-FSSWDIPSSA-N 432.455 3.242 0 1 IGAF CCOc1ccc([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2CCCn2ccnc2)cc1 110757290 IPPUYMJYXIZKOQ-PMACEKPBSA-N 437.521 3.385 0 1 IGAF O=C(Nc1cccc(F)c1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1 169701919 VNUZCDYOZMMLPN-UHFFFAOYSA-N 433.447 3.125 0 1 IGAF Cc1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1 586944396 PTGJPACMEMJSST-UHFFFAOYSA-N 446.960 3.483 0 1 IGAF Cc1c(Br)ccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 587183423 XXGAQLKSRMGUML-UHFFFAOYSA-N 447.030 3.107 0 1 IGAF COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587534480 DYVYMDCBHOYTNI-VWLOTQADSA-N 436.460 3.330 0 1 IGAF CCOc1ccc(-c2nn(-c3nc(O)c4c[nH]nc4n3)c(=O)c3ccccc23)cc1OCC 587670202 QBORNPRCMCNMRM-UHFFFAOYSA-N 444.451 3.222 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2cnn(C)c2)(c2cnn(C)c2)N1 587764394 PKNUOVUXTMQDJO-MPBGBICISA-N 446.324 3.106 0 1 IGAF COC(=O)Cc1cc(OC)n(C[C@@H](c2cccc(Br)c2)N(C)C)c1OC 587941241 SYVAGLKUACBBPI-INIZCTEOSA-N 425.323 3.286 0 1 IGAF CNC(=O)c1cccc(Nc2ncnc(N3CCN(c4ccc(F)c(Cl)c4)CC3)n2)c1 1772577265 KJGRMHZKJPROFA-UHFFFAOYSA-N 441.898 3.094 0 1 IGAF CCCNc1nccc(N2CC[C@@H](Oc3ccc([C@@H](C)C(=O)NC4COC4)cc3)C2)c1F 1772602864 MXMDYBZFBODMTP-OXQOHEQNSA-N 442.535 3.319 0 1 IGAF CN1CCN(C(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CC1=O 1772623117 PXTNPCJIZUAIDB-UHFFFAOYSA-N 430.386 3.355 0 1 IGAF CN(C)c1ccc(C(=O)N2CC(=O)N(Cc3ccccc3)[C@@H](Cc3ccccc3)C2)cn1 1857544927 DKKRLWYGIFUOHD-QHCPKHFHSA-N 428.536 3.244 0 1 IGAF CCn1c2c(c(=O)n(Cc3ccc(Cl)cc3)c1=O)CN(Cc1cccc(F)c1)CC2 1857574322 HNOGKDJWVKXFDK-UHFFFAOYSA-N 427.907 3.429 0 1 IGAF CC(C)(C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccccc1Cl)c1ccccc1 61904091 YZPQACLEOSFMAV-NRFANRHFSA-N 434.945 3.114 0 3 IGAF COc1ccc([C@@]23OC[C@@H](Cc4cc(OC)c(OC)cc42)[C@@H]3COC(C)=O)cc1OC 31900938 GVZPMSFHNAIPPW-LNZPYGSCSA-N 428.481 3.346 0 1 IGAF CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Cc2nn(CC(C)C)cc21 95576770 PISWYTCLVHPEEE-WPFOTENUSA-N 426.605 3.251 0 1 IGAF NC1CCN(C(=O)Nc2cnc3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nn23)CC1 118243748 OAGQJCOELGVQDY-GOSISDBHSA-N 441.486 3.304 0 1 IGAF CCNc1nc(Nc2cc(OC)c(C(=O)N3CCOCC3)cc2Cl)ncc1Cl 169705153 CHQGCWVJAXTLEE-UHFFFAOYSA-N 426.304 3.440 0 1 IGAF c1cc2c3cnc(Nc4ccc(N5CCCNCC5)nn4)nc3n(C3CCCC3)c2cn1 169706705 OFGLKFLIMBZBTK-UHFFFAOYSA-N 429.532 3.428 0 1 IGAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 586947389 XMBPTKVONNSURT-LBPRGKRZSA-N 426.420 3.101 0 1 IGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(OCCN(C)C)cc4[nH]3)cc12 587037188 FPBCRIBUOVIONL-CYBMUJFWSA-N 426.546 3.251 0 1 IGAF Nc1nc(O)c2nc(CSc3nnc(-c4ccccc4F)n3-c3ccccc3)[nH]c2n1 587152717 DUMCOKGTLWGRSO-UHFFFAOYSA-N 434.460 3.320 0 1 IGAF CC1(C)OC(=O)C(c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)=C1N 587255052 CJVIOIPWPCWVNN-UHFFFAOYSA-N 432.889 3.022 0 1 IGAF O=C(O)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587335970 IWMGLJIOJNASOK-QPPBQGQZSA-N 433.391 3.217 0 1 IGAF CCOC(=O)[C@@H]1[C@@H]2C[C@@H](C[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)N1C(=O)OC(C)(C)C 587445706 XOULFZCZKHCUQL-LREHFYMKSA-N 443.496 3.142 0 1 IGAF Cn1nnnc1COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587581923 JRHXQAPHDVUGFN-REWPJTCUSA-N 430.420 3.198 0 1 IGAF CCCCCNC(=O)CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O 653830250 YDZNXFWUNLRONX-FQEVSTJZSA-N 432.542 3.172 0 1 IGAF CN1C(=O)C[C@@H]2CN[C@@](CCC(=O)O)(c3ccc4c(c3)C(C)(C)C(=O)N4)c3cccc1c32 963035063 WFANZNNIZVIZBS-PWECECGKSA-N 433.508 3.078 0 1 IGAF CCOc1ccc(CN2C[C@H]3C[C@H]3C2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C 1857539864 QGLNXSVRKCTJJK-IMSXRSKXSA-N 437.584 3.046 0 1 IGAF COc1ccccc1S(=O)(=O)Nc1ccc2c3c(cc(-c4cnn(C)c4)nc13)C(=O)N2C 1857549202 NHJUIECVXMWTRW-UHFFFAOYSA-N 449.492 3.035 0 1 IGAF COCCC[C@@H]1Oc2ccc(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2ccc(OC)cc2[C@H]1O 2356440502 DMYFUDDBZJBVLC-ZYAIEFSKSA-N 430.497 3.283 0 1 IGAF Cc1ccc(-c2[nH]n(-c3ccccc3)c3nc(=O)c(CNCCN4CCOCC4)cc2-3)cc1 22931295 SMDXHNFNJXMSLN-UHFFFAOYSA-N 443.551 3.063 0 3 IGAF O=C(Nc1nnc([C@@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1ccccc1Oc1ccccc1 61895958 KUUZYQQTVRAZFH-BHYGNILZSA-N 428.470 3.158 0 3 IGAF O=C(Nc1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 95893800 MZMOWTFDTPCNCQ-FDFHNCONSA-N 432.455 3.242 0 3 IGAF CN(C(=O)Cn1c(=O)n(-c2ccc(F)cc2F)c(=O)c2sccc21)c1ccccc1 2466785 GCAIZJOLOLLSSY-UHFFFAOYSA-N 427.432 3.155 0 1 IGAF CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)c1ccccn1)CC(C)C 13489853 QKGIVFXXAJEIST-VGSWGCGISA-N 434.540 3.272 0 1 IGAF CC(C)NC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC(=O)N3CCCCC3)[C@H](O)CC[C@@H]2[C@]1(C)CO 43553810 JNURGVMCVLQXQM-BXAZWGAJSA-N 438.609 3.078 0 1 IGAF biogenic COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C[C@H]3CCCO3)CC(=O)N21 43742751 HKLGISQMVMYWNK-HKGBXIQFSA-N 445.519 3.040 0 1 IGAF biogenic CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC[C@@H](NC2CCOCC2)C1 66103005 LKVYNPSDJFUJBO-XUJKJYMVSA-N 435.609 3.170 0 1 IGAF CCC[C@@H](C)C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 95580003 PALCPFLMTHCBEP-CQSZACIVSA-N 429.492 3.259 0 1 IGAF O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1)NCc1ccc(F)cc1 95887198 CEWCLCSAKAWIOS-NEWJYFPISA-N 448.579 3.022 0 1 IGAF CC(C)(Oc1ccc(F)cc1Cl)C(=O)N[C@H]1[C@H]2C[C@@H]3C[C@@H]1C[C@@](c1nnn[nH]1)(C2)C3 100387815 SDLVFSDWSGBQTI-XFMDRLIMSA-N 433.915 3.412 0 1 IGAF CN(C)C(=O)c1c(F)cc(F)cc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1 169701910 YKRYNJAHHFEFPD-UHFFFAOYSA-N 439.426 3.120 0 1 IGAF C[C@H]([C@H]1NC[C@H](C)C[C@@H]1O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C(=O)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 255259926 PTLHVDMORFDUBF-XOKGBGJCSA-N 447.660 3.151 0 1 IGAF O=c1c2ccccc2nc(O)n1C[C@H]1CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)CC1 299855808 BPEZFHQODUPVMF-MXVIHJGJSA-N 446.551 3.257 0 1 IGAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cnc(Cl)[nH]c-2n1 586938024 UEMJWQMRGUCKPE-GFCCVEGCSA-N 425.967 3.347 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1[C@H]3C[C@@H]4[C@@H]1C1(OCCO1)[C@@H]1[C@H]4[C@@H]3[C@H]12 587837764 KYPCDSQAEWZUTK-HAYCJSONSA-N 432.333 3.449 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)N(C)C)cc2)N1 587839890 JEMCODWHEZXLOH-ADLMAVQZSA-N 427.339 3.462 0 1 IGAF COc1cc2nc(-c3ccccc3)nc(-n3[nH]c(-c4ccccn4)nc3=N)c2cc1OC 653687451 KNCIECCZJDGVJH-UHFFFAOYSA-N 425.452 3.369 0 1 IGAF CCOC(=O)[C@H](F)[C@@]1(C)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1N 963138768 JHTPANJPXANBLW-NZQKXSOJSA-N 430.476 3.101 0 1 IGAF CC(=O)N1CCc2c(C(=O)N3CCC(c4cc(F)ccc4C(F)(F)F)CC3)n[nH]c2C1 1772604582 ICVLYVUETZMGBM-UHFFFAOYSA-N 438.425 3.492 0 1 IGAF Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CCN2C[C@H]3CN2CCc3ccccc3C2)cc1 2356574451 AGQMLUMCJDMVNW-GMKZXUHWSA-N 439.625 3.042 0 1 IGAF O=C(NCc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccccc4)n3)CO[C@H]12 5434054 VSJPMJFJRYHYHM-DXBBTUNJSA-N 432.480 3.017 0 1 IGAF biogenic CC(C)(C)NC(=O)[C@@H]1CCC[C@H]1NC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 13492505 NDFLKJAJJCUUCZ-CGXNFDGLSA-N 447.620 3.156 0 1 IGAF CC(C)c1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2)cc1 27213777 QILDUUBHILTMNL-HXUWFJFHSA-N 429.561 3.461 0 1 IGAF O=c1ccn([C@H]2C=C[C@H](COP(=O)(Oc3ccccc3)Oc3ccccc3)O2)c(=O)[nH]1 28528784 WTBYVSFHNKXXGR-UYAOXDASSA-N 442.364 3.273 0 1 IGAF O=C1c2c(O)c3n(c2CCN1Cc1ccc(F)cc1)CCN(Cc1ccc(F)cc1)C3=O 28826626 NTTUMYMTBLZNRC-UHFFFAOYSA-N 437.446 3.326 0 1 IGAF O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 95795365 DYGXIGZWPPRTRB-WPFOTENUSA-N 446.482 3.091 0 1 IGAF CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2Cc2cncnc2)[C@H](CO)N3)cc1 95878506 YOXSPBMMIHHRHG-IEZKXTBUSA-N 443.551 3.195 0 1 IGAF Cc1cc(NC(=O)c2cc(C)nn2C)cc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)c1 96916316 LHXYGLKSWSWAJP-UHFFFAOYSA-N 445.483 3.473 0 1 IGAF CC1(N)CCN(Cc2ccn3ncnc(Nc4cc(O)cc(Br)c4)c23)CC1 98208187 DBMRETDBROLHGL-UHFFFAOYSA-N 431.338 3.254 0 1 IGAF in-vitro CN1CCN(CCCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccsc2)CC1 104250943 UYXNOPDNNHCXGE-TZIWHRDSSA-N 447.004 3.247 0 1 IGAF O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(COC3CCCCC3)ccc1-2 143034087 XIWIBKWGVWDVAZ-FQEVSTJZSA-N 426.513 3.110 0 1 IGAF Cc1nnc([C@](C)(CC2COC2)NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)o1 146486457 GRCCRCIRSYGQEF-IBGZPJMESA-N 440.422 3.273 0 1 IGAF Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(CC3CCC3)n2)cc1C(F)(F)F 148077373 DTRNQYSHNFBFTA-IGOJGBNBSA-N 433.478 3.390 0 1 IGAF CO[C@@H]1CCN(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C[C@@H]1N 169240115 RWRRKKBGTAZXGP-KBXCAEBGSA-N 445.495 3.288 0 1 IGAF COc1ccc(OC)c([C@H]2[C@H](C(N)=O)C(C)=Nc3nc(-c4cccc(Cl)c4)nn32)c1 169687494 QOPCMQCBYTVVCW-MSOLQXFVSA-N 425.876 3.413 0 1 IGAF COCC(=O)Nc1ccc(N(Cc2ccsc2)C(=O)Cn2nnc3ccccc32)cc1 200069194 QHEFZGBCZNCHBJ-UHFFFAOYSA-N 435.509 3.311 0 1 IGAF CC(C)Oc1ccc2[nH]c(-c3c(I)c(C(=O)O)nn3C)nc2c1 587181195 OKJKRTAJKBQGIC-UHFFFAOYSA-N 426.214 3.053 0 1 IGAF C[C@H](Cc1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1)N(C)C 587190057 GEONHADIUZRHLI-GOSISDBHSA-N 434.588 3.055 0 1 IGAF CCOC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2)N[C@H](C)Cc1cc(Br)c(F)cc13 587794722 PJMARYBVAJWCTG-BZDZRWCVSA-N 425.342 3.411 0 1 IGAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CC(=O)C(F)(F)F)(c3cccnc3)N12 962665934 LPXMEUJUHBPUHL-FCHUYYIVSA-N 443.425 3.494 0 1 IGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2c[nH]nc2-c2ccc3c(c2)OCCO3)N1 962976251 ZKAMMGAKBJQAFD-VBKZILBWSA-N 447.825 3.468 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3cnc(-c4ccc(Cl)cc4)s3)N2C(=O)[C@@H]2CCCN12 963223446 QJJZSXNSFMPFQT-RLFYNMQTSA-N 439.928 3.034 0 1 IGAF C[C@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2ccc(F)c(F)c2F)C1 1772600608 MLYRTIRLHVBHSK-LLVKDONJSA-N 449.433 3.125 0 1 IGAF C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4scnc4C3)c2cn1)c1ccccc1 1772641095 URPNVVXNIFWISS-ZUOKHONESA-N 449.540 3.221 0 1 IGAF O=C1C[C@@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3nc4ccccc4s3)CC2)N1 1857547124 HZOYRKHBRKHQSX-SFHVURJKSA-N 437.447 3.496 0 1 IGAF Nc1cc(-c2ccc(Br)cc2)nn1S(=O)(=O)c1cccc2nsnc12 8680561 WSZWPRMGVHHVON-UHFFFAOYSA-N 436.316 3.137 0 3 IGAF aggregator CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccc(Cl)cc4)c3)nc2n(CCC)c1=O 35861146 YOLKEFKOWBQNMM-UHFFFAOYSA-N 426.908 3.272 0 1 IGAF CC[C@H](CC(=O)O)n1c(=O)c2ncccc2n(Cc2cn(C)c3cc(C)cc(C)c23)c1=O 68244701 PCJVXTDIDUMIRR-QGZVFWFLSA-N 434.496 3.141 0 1 IGAF COc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)CCCCN(C)C)cc2)c1 73197334 UHLDHYWPQABDMI-UHFFFAOYSA-N 428.558 3.492 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CCN(C(=O)c2ccccc2F)CC1 95867666 KJWDLSLNDXZUDM-NRFANRHFSA-N 437.515 3.468 0 1 IGAF CCC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cccc(C(=O)N(C)C)c3)cc1)[C@@H]2CO 95873660 QXERRVTTWGDQIQ-USZFVNFHSA-N 449.595 3.217 0 1 IGAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cccs4)C[C@H]23)cc1 95873818 DXNXIBCUAKIKFC-SCLOWVIKSA-N 432.611 3.395 0 1 IGAF CCC(CC)CN1CC[C@@H](CNC(=O)c2ccc(Cl)c(Cl)c2)N[C@@H](CCN)C1=O 118695294 QGNFOMXXBDIGJR-LPHOPBHVSA-N 443.419 3.067 0 1 IGAF COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nn1C(C)C 148075771 BEJBFNWPHZNPTK-UOIKSKOESA-N 425.455 3.298 0 1 IGAF CCOC(=O)[C@@H]1C(C)=NC(Cn2ccnc2)=C(C(=O)OC)[C@@H]1c1ccccc1OC(F)F 169712709 OJUYVLVAOYMWCV-QZTJIDSGSA-N 447.438 3.349 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cnn(-c2ccc(Cl)cc2)c1 218253549 OQBOQQPZTMRUOB-OGHNNQOOSA-N 428.880 3.195 0 1 IGAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(F)cc(Br)c3[nH]2)cc1 586931600 GJNHKTYRQIGVDR-UHFFFAOYSA-N 428.283 3.294 0 1 IGAF CN(C)S(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587609054 UMFGWMLVDMEQEN-UGKGYDQZSA-N 425.462 3.345 0 1 IGAF COc1ccc([C@]2(CCC(=O)O)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1F 962972203 UFBMTHKPPJURJD-XOBRGWDASA-N 443.805 3.473 0 1 IGAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](CN3C(=O)c3ccccn3)Oc3ccccc32)cc1 2356299316 FWCOGEIJZYYEFH-SIKLNZKXSA-N 429.476 3.299 0 1 IGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C(=O)OC)[C@H]1c1ccc(Cl)cc1 95569424 SWZDMDKPESMVOT-IBGZPJMESA-N 449.912 3.362 0 3 IGAF COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@]1(C)CC[C@H]1C(=O)O[C@@H](c3ccoc3)C[C@@]21C 263590988 OBSYBRPAKCASQB-MQBPJHHZSA-N 432.469 3.000 0 3 IGAF Cc1cc(C(=O)NCc2nc(-c3ccccc3NC(=O)[C@H]3CCCO3)oc2C)nc(C)n1 11975776 YWKAIXSAUOHKNQ-HXUWFJFHSA-N 435.484 3.104 0 1 IGAF COc1ccc([C@@H]2Cc3cc(OC)ccc3N(C[C@@H]3CCCN3)C(=O)[C@@H]2OC(C)=O)cc1 13650820 RIPFIPJSDBZQRU-NGYIFUPDSA-N 438.524 3.060 0 1 IGAF O=C1[C@H]2C3c4ccccc4C([C@H]2C(=O)N1c1ccccc1)[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 17193295 VOAQZUPZPIBDPI-BCSMNWKXSA-N 448.478 3.493 0 1 IGAF COc1ccc(C(=O)N2CCN3C(=O)c4cc(-c5ccccc5)ccc4NC(=O)[C@H]3C2)cc1 25207962 NLHNUQMOQLPMHR-HSZRJFAPSA-N 441.487 3.281 0 1 IGAF biogenic COc1cc2nc(N3CCC(Nc4ccc(C(=O)O)cc4)CC3)nc(OC)c2cc1OC 27526014 IVGUUYKQQINSQT-UHFFFAOYSA-N 438.484 3.435 0 1 IGAF COc1ccc(CCN2C=CC=C3C2=Nc2cc(OC)ccc2N(C)S3(=O)=O)cc1 28638704 GNORDWRUKJXKIY-UHFFFAOYSA-N 425.510 3.469 0 1 IGAF COc1cc(Cc2c(C)nc3nc(N)nc(N)c3c2C)c(Br)c(OC)c1OC 45323536 OCDMVJKCTRTJSD-UHFFFAOYSA-N 448.321 3.185 0 1 IGAF COc1cc(-c2nc3ccc(NS(=O)(=O)c4ccccc4)cn3n2)cc(OC)c1OC 82081889 BMUFXSNUVSCPMP-UHFFFAOYSA-N 440.481 3.223 0 1 IGAF O=C(Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccccc1 82224491 WYEZOLGRIWTIQF-LJQANCHMSA-N 444.516 3.387 0 1 IGAF O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1)NCC1CCCCC1 95886081 LWYACWLHCWNNJE-XQUALCHDSA-N 448.579 3.022 0 1 IGAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@@H]1CCc2cc3c(cc2C1)N[C@H](N)N3 96923976 GJWNNHQBSQJALA-ZEQKJWHPSA-N 434.632 3.158 0 1 IGAF O=C(N[C@H]1[C@@H]2CN(CCc3ccc4c(c3)OCO4)C[C@@H]21)[C@@](O)(c1ccccc1)C1CCCC1 101122883 CWHYVJWMHYDVMM-PTTWGSOISA-N 448.563 3.082 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3C[C@H]2CCN3c2ncc3cc(F)ccc3n2)c1 101334689 BRINWJIGTBMZEN-RTBURBONSA-N 443.486 3.151 0 1 IGAF Cc1cc(C)c(CNC(=O)c2cc(C3=CC(C)(C)NC(C)(C)C3)nc3c2cnn3C)c(=O)[nH]1 143002512 MYAWTCZOHZPHSF-UHFFFAOYSA-N 448.571 3.137 0 1 IGAF CCOc1nc2cccc(C(N)=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 169324728 FYCHXDIAFRIMCC-UHFFFAOYSA-N 439.479 3.429 0 1 IGAF O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC4(CCCO4)C3)cc2)C1 208808011 AGTGRRLYPSCMPU-UHFFFAOYSA-N 446.507 3.005 0 1 IGAF COCCS(=O)(=O)NC(=O)c1cnc(OCC23CC4CC(CC(C4)C2)C3)c(C2CC2)c1 216247959 CZEOXEPOGLVDMI-UHFFFAOYSA-N 448.585 3.260 0 1 IGAF COc1ccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)cc1 251450081 WXLDDNHCXBQERH-FDGPYGQJSA-N 440.471 3.154 0 1 IGAF CNc1nc2cc[nH]c(=O)c(Cc3cc(Br)c(O)c(Br)c3)c-2n1 299834067 RJBSSUZWVVTEGH-UHFFFAOYSA-N 440.095 3.133 0 1 IGAF COC(=O)c1ccnc2[nH]c([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc12 586960081 MUJQCTXDCQMJTJ-WBAXXEDZSA-N 440.525 3.439 0 1 IGAF CCOC(=O)c1ccc2nc(CSc3nnc(Cn4ccc(C)n4)n3CC)[nH]c2c1 586965307 NBDCLFMCTSMXIU-UHFFFAOYSA-N 425.518 3.197 0 1 IGAF Nc1ccc(-c2ccc3nc(C[C@H](NC(=O)OCc4ccccc4)C(=O)O)[nH]c3c2)cc1N 587201633 AIZPFLNLHCEZBD-NRFANRHFSA-N 445.479 3.316 0 1 IGAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 587276057 JICSBRCVMXXBEI-SNVBAGLBSA-N 433.233 3.458 0 1 IGAF COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354128 UDKPYAOAVMMAHN-UKWAKIAUSA-N 442.439 3.391 0 1 IGAF CCN1CC[C@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)[C@H](C(=O)OC)C1 962964310 ZUPNXUBDCCLPSS-UWJYYQICSA-N 426.479 3.067 0 1 IGAF CCOC(=O)CC[C@]1(c2cccc(OCC)c2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963466751 FGLZOMZXWKRLDC-GBXCKJPGSA-N 427.497 3.285 0 1 IGAF O=C1c2cc(-c3ccnc(N[C@@H]4CCNC4)n3)ccc2CN1[C@@H](CO)c1cccc(Cl)c1 1857547753 CYTCBCMFQBXTHI-KNQAVFIVSA-N 449.942 3.260 0 1 IGAF COc1ccc2nccc(CC[C@H]3OC[C@H](NCc4ccc5c(c4)NC(=O)CO5)CO3)c2c1 1857757584 NUDDJAUGGKLCBR-YGFACIEFSA-N 449.507 3.038 0 1 IGAF C[C@]1(O)CCN(C(=O)COc2ccccc2)[C@@H](c2ccccc2)[C@H]1NC(=O)C1CCCC1 2356289131 QEQHTRNQKSXOMI-GSLIJJQTSA-N 436.552 3.465 0 1 IGAF CCO[C@]12C[C@@H]3[C@H](CC[C@@H]4[C@@]5(C(=O)OC)CCC[C@]43[C@H](OC)OC5)[C@H](C)C1=CC(=O)O2 2356333770 WEBYMNDFYQNFAA-LVYSBIHKSA-N 434.529 3.217 0 1 IGAF CCC=CC=CC(=O)NC=CC[C@H]1C[C@H]2C[C@@H](O)C[C@@H](Cc3cccc(O)c3C(=O)O1)O2 2356451655 MVOORUCGKRDJFW-UWHLTILDSA-N 441.524 3.315 0 1 IGAF Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CCCCC2)cc1 4399806 GGFPAXGRZMKOGH-HXUWFJFHSA-N 429.521 3.127 0 3 IGAF COCC(=O)N[C@@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2)cc1 95796926 QUBXIHMWQRPUCU-LFCBLZOASA-N 439.552 3.115 0 3 IGAF CCOC(=O)C1=CN(Cc2cccc(-c3ccc(Cl)nc3)c2)S(=O)(=O)N(C)[C@H]1C 254043116 IIMAAARQCZIZOW-AWEZNQCLSA-N 435.933 3.230 0 3 IGAF CCOc1cc(Cc2cnc(N)nc2N)ccc1OCc1cc(OC)c(OC)c(OC)c1 13472741 UZYFAUNKCDIOLM-UHFFFAOYSA-N 440.500 3.235 0 1 IGAF CC(C)[C@H](OC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N[C@H](CC(=O)O)C(=O)CF 28135873 PSGIDBYTPHXZKT-DOMZBBRYSA-N 437.251 3.065 0 1 IGAF CC(C)(Oc1ccc(F)cc1Cl)C(=O)NC1[C@H]2CC3C[C@@H]1CC(c1nnn[nH]1)(C3)C2 28882234 SDLVFSDWSGBQTI-QIUQRCORSA-N 433.915 3.412 0 1 IGAF C[C@@H]([C@@H](O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2ccc3c(c2)COCC3)CC1 28952092 XYESQXUVTLGLPS-SSOJOUAXSA-N 436.552 3.050 0 1 IGAF COc1cc(C2=NN(C(=O)COc3ccccc3)[C@H]3CCC[C@H]23)c(C)cc1OCC(=O)O 35003053 AJRNDBRFBAKLFK-HKUYNNGSSA-N 438.480 3.261 0 1 IGAF CCN1CC[C@H](n2cc(S(=O)(=O)c3c(Cl)nc4sccn34)c3cccnc32)C1 64532104 HAEJRQCALNPDQI-LBPRGKRZSA-N 435.962 3.498 0 1 IGAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1cc(CNC(=O)CC)no1 118703758 LSMZGPQRIIJPKB-UHFFFAOYSA-N 442.472 3.307 0 1 IGAF O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cccc(Cl)c1 144811167 GBUFGAHGZPUUTQ-HXUWFJFHSA-N 426.904 3.131 0 1 IGAF c1ccc(CNCC[C@]23O[C@]4(CCNCc5ccccn5)[C@@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@@H]53)nc1 169300149 GMOUWTUTWWZURS-ZDSURQAJSA-N 428.580 3.032 0 1 IGAF CCOC(=O)[C@@H](CCc1ccccc1)O[C@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)O 169367603 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BBMRFQAIUVCNSF-UHFFFAOYSA-N 443.486 3.248 0 1 IGAF COc1ccc(C)cc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1cc(C)on1 4409255 BIXDQFABBIGPJJ-UHFFFAOYSA-N 442.516 3.111 0 3 IGAF C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)C(=O)NC1CCCCC1 61924214 SGGLKOXFSPSGKS-JNHSIYEJSA-N 438.572 3.337 0 3 IGAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC 4041062 OGCCYSYFTNONGM-VWNXMTODSA-N 438.572 3.311 0 1 IGAF CS(=O)(=O)c1ccc(-c2cc(C(=O)CCCO[N+](=O)[O-])nn2-c2ccccc2)cc1 13560529 UIRWOKUMVPOUFS-UHFFFAOYSA-N 429.454 3.114 0 1 IGAF CCCCS(=O)(=O)N[C@@H](CCCCCCCc1ccc2c(n1)NCCC2)C(=O)O 28370782 ADPBZOJNGBDSMJ-IBGZPJMESA-N 425.595 3.496 0 1 IGAF O=C(N[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccncc2=O)cc1 28822878 LGQYJYMAFFOQCV-JKSUJKDBSA-N 442.928 3.028 0 1 IGAF O=C(O)CNCc1ccc(NC(=O)c2cc(N(CC3CC3)C3CCCCC3)ncn2)cc1 49068052 NLYCMXZJKOZPRH-UHFFFAOYSA-N 437.544 3.452 0 1 IGAF COc1cc(Cc2csc3nc(N)nc(N)c23)c(Br)c(OC)c1OC 58540874 XWYGYHMBCPTCHL-UHFFFAOYSA-N 425.308 3.235 0 1 IGAF 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COc1cc(OCCCC(=O)O)ccc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230974 RGUDXPTWJBACKB-OFNKIYASSA-N 436.464 3.175 0 1 IGAF NS(=O)(=O)Oc1ccc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc1F 1772585937 HWZREYUQBINYFF-UHFFFAOYSA-N 429.397 3.351 0 1 IGAF CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)c1cccc(F)c1 1857744163 GOAOGMJJIDYVSZ-UHFFFAOYSA-N 447.315 3.430 0 1 IGAF CC(C)CCC=CC=C[C@H](O)[C@H](C)[C@H](CC=C[C@H]1OC(=O)CC[C@@H]1O)OP(=O)(O)O 2356808353 YRXGCLPGKUCVRQ-VYJAJWGXSA-N 446.477 3.023 0 1 IGAF Cc1ccsc1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F 61929547 QDBHMNCCBGFMTI-KRWDZBQOSA-N 446.472 3.185 0 3 IGAF Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCO)c1nnc(C)n1-2 3960758 DHJBCEVAMQVGRX-INIZCTEOSA-N 443.960 3.298 0 1 IGAF C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4cccc(F)c4)CC3)cc2)CCN1 34849791 ZOBLQKIECISDQA-LJQANCHMSA-N 425.548 3.232 0 1 IGAF C[C@]1(CO)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H](O)O[C@@H](C3=CC(=O)O[C@H]3O)C[C@H]21 40954049 ILNQYSBBUXQHRX-XWYNEOKPSA-N 434.573 3.143 0 1 IGAF 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Cc1nc([C@@H](O)[C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)sc1C 199435667 RTBVETUBOURPJC-UWJYYQICSA-N 439.585 3.490 0 1 IGAF CCCCCC[C@@H](O)/C=C\CO[C@@H]1[C@@H](C)[C@H](O)[C@]2(C)O[C@@]1(C)[C@@]1(C)OC(=O)[C@H](C)[C@@H]2O1 238776132 IWOGBRLVZBYBFT-JYQNCSKRSA-N 440.577 3.112 0 1 IGAF CC(=O)O[C@H]1CC/C(C)=C\[C@@H]2OC(=O)C(C)=C2C[C@@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@@H]1O[C@@]12C 238787265 SYTNANSVJAZWTF-HDBDNRGWSA-N 432.513 3.406 0 1 IGAF Cc1cc(N)nc(CCc2cc(CCc3cc(C)cc(N)n3)cc(N3CCNCC3)c2)c1 95585778 VRUCVWIGIZZYJZ-UHFFFAOYSA-N 430.600 3.238 0 1 IGAF CNC(=O)c1cccc(OCCCCN2CCN(c3cccc4c3OC(F)(F)O4)CC2)c1 653864104 BYXQAMXSVJFSPP-UHFFFAOYSA-N 447.482 3.349 0 1 IGAF CC[C@@H]1[C@@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437984 MPCHUALLXZVLTP-NLFPWZOASA-N 445.512 3.390 0 1 IGAF CC1=C(c2ccc3nc([C@@H](C)NC(=O)c4cc5c(C)nn(C)c5s4)[nH]c3c2)NNC(=O)C1 587038415 SSXZGUFDLXHYID-GFCCVEGCSA-N 449.540 3.066 0 1 IGAF CCOC(=O)[C@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 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XHUGUKWVDHDLQP-GOSISDBHSA-N 428.458 3.349 0 1 IGAF CCNC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@@H]1CO[C@H](c3ccoc3)C[C@@]12C 40766887 OAHYMFUZPDTHKL-PBWYFCPQSA-N 431.529 3.089 0 1 IGAF CCNC1(C(N)=O)CCN(c2cnc(-c3ccc(Cl)cc3)c(-c3ccncc3)n2)CC1 40972952 IHQAQRHTEQQEAH-UHFFFAOYSA-N 436.947 3.293 0 1 IGAF C[C@@H](Oc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-])c1ccccc1 43069062 OAFHRBGCJPZVTA-LLVKDONJSA-N 432.221 3.261 0 1 IGAF N[C@H](Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(c2ncnc3ccccc23)CC1 64539955 MTTGHHGIRDNBKA-GOSISDBHSA-N 430.339 3.155 0 1 IGAF CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@@H]4C(N)[C@H]4C3)c2c1Cl 103096749 CKLGHQVIDIYYPC-QWRGUYRKSA-N 438.948 3.056 0 1 IGAF Cc1nc(-c2ccc(Oc3ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc3)cc2)co1 103301133 AOHVUVDBUKONAU-OAQYLSRUSA-N 448.412 3.174 0 1 IGAF NC1=N[C@](c2cc(NC(=O)c3ccc(Cl)cn3)cc(F)c2F)(C(F)F)[C@@H]2C[C@@H]2O1 226071766 VSAHBSNDLPIUOA-AKCUIXRJSA-N 428.773 3.459 0 1 IGAF COCCN1C(=O)CC[C@H](c2nc3cc(C(=O)OC)ncc3[nH]2)[C@H]1c1ccccc1Cl 587062044 ATTNKZKNCLRRLU-VBKZILBWSA-N 442.903 3.492 0 1 IGAF Cn1nc(-c2nc3ccc(Br)cc3[nH]2)c(I)c1C(=O)O 587179638 DFSCZSDHXNMDMG-UHFFFAOYSA-N 447.030 3.029 0 1 IGAF CCOC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437630 LDJRWXXYQUFGEO-IEKZBVHVSA-N 431.485 3.002 0 1 IGAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1ccc(OC)c(OC)c1OC)[C@@H](C2)C3=O 587441164 CYSBHRPCDHKGHJ-WNSKOXEYSA-N 428.437 3.229 0 1 IGAF CCOC(=O)CN1C(=O)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587773231 XUFMHVNMRPNXFK-LAJNKCICSA-N 447.304 3.276 0 1 IGAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)C(=O)C[C@@]4(O)[C@@H]3CC[C@@H]2C1 1857624483 JIOXQMJNOROPDA-IEAKADIDSA-N 430.541 3.354 0 1 IGAF CC1=C[C@H](CNS(=O)(=O)c2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356315867 OFASEQUHJPVEQB-TUNNFDKTSA-N 434.602 3.068 0 1 IGAF CC1(C)S[C@@H]2[C@@H](C(=O)OCc3ccccc3)NC(=O)N2[C@H]1C(=O)OCc1ccccc1 12479022 LPXALDJLBWHJBQ-GBESFXJTSA-N 440.521 3.087 0 3 IGAF Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@@H]1C(=O)NCCOc1ccccc1 95601621 SFEHUOZSWHWJLM-QHCPKHFHSA-N 443.503 3.466 0 3 IGAF COc1cccc(N2C(SCC(=O)N3CCOCC3)=NN/C2=C2\C=Nc3ccccc32)c1 100445846 DFRCTOUJJKPPRN-QOCHGBHMSA-N 449.536 3.053 0 3 IGAF CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)Nc3ccc(C)cc3C)C(C)C)ccc21 8595925 ZIJIEKOMEIVLEQ-JOCHJYFZSA-N 443.569 3.154 0 1 IGAF CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(N3CCN(C)CC3)c2c1 22574302 JEZWZIJVPGVNEP-UHFFFAOYSA-N 441.553 3.227 0 1 IGAF Cc1c(C(=O)O[C@H](C)C(C)(C)C)cn2c1C(=O)N(CCCNC(=O)c1ccncc1)CC2 28570980 QSXPWEPXOLMPJS-QGZVFWFLSA-N 440.544 3.059 0 1 IGAF O=C(COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1)Nc1ccccc1 29465917 CLXQYPDPCUQTLM-NRFANRHFSA-N 436.508 3.112 0 1 IGAF NS(=O)(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](C(F)(F)F)C(C(=O)O)=C3)cc1 64573050 JGPRUEXSKNEPHR-HNNXBMFYSA-N 433.791 3.446 0 1 IGAF c1cc(-n2cnc(N3CCOCC3)n2)ccc1Nc1ncc2ccc(-c3cn[nH]c3)cc2n1 71330095 GMOGCDFLNRXOJV-UHFFFAOYSA-N 439.483 3.181 0 1 IGAF CCC[C@@H](NC(=O)[C@H](CC1CCCCC1)NS(C)(=O)=O)C(=O)c1nc2ccccc2o1 82064838 YLPZKFVNVCSLSE-MSOLQXFVSA-N 449.573 3.184 0 1 IGAF O=C(NCCN1CCOCC1)c1cccc(-n2ncc3cc(Nc4ccccn4)ccc32)c1 96906422 ZIMQBOFMWMIDEX-UHFFFAOYSA-N 442.523 3.226 0 1 IGAF COc1nc2ccccc2cc1CN(Cc1ccc(C)cc1)C[C@H](O)CN1CCOCC1 96939083 ZXOFLVYXBOZRGG-XMMPIXPASA-N 435.568 3.247 0 1 IGAF O=C(NC1CN(C2CN(C(=O)c3ccc(Cc4ccccc4)cc3)C2)C1)c1ccccc1 199869609 XRIWBKKSLJVBCB-UHFFFAOYSA-N 425.532 3.216 0 1 IGAF O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(NCCN3CCOCC3)ccc21 205637035 CFFOXXRGWWIUIJ-UHFFFAOYSA-N 444.944 3.414 0 1 IGAF O=S(=O)(NCCc1nc2ccc(Br)c(F)c2[nH]1)c1ccc(Cl)nc1 586942095 GSDSXGQZJJIYTJ-UHFFFAOYSA-N 433.690 3.034 0 1 IGAF CN(C)S(=O)(=O)c1cccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587121033 OQTQRLYWMZFDOF-UHFFFAOYSA-N 427.330 3.241 0 1 IGAF C=CN1CC[C@H]([C@]2(c3cc(OC)cc(OC)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587435324 FJOZWZRVFKCYPF-DFIYOIEZSA-N 435.476 3.347 0 1 IGAF Cc1nn(C)cc1-c1[nH]c2c(c(Br)cc3n[nH]cc32)c1CN1CCOCC1 587623312 PZHTVPOHYBTHFN-UHFFFAOYSA-N 429.322 3.348 0 1 IGAF O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)n1ncc2ccc(Cl)cc2c1=O 587654013 GNBUUWOGXRMCRI-UHFFFAOYSA-N 442.862 3.497 0 1 IGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C[S@](=O)Cn1cc(Cl)cn1 587863444 KFCLGQKULSASHB-LJAQVGFWSA-N 446.838 3.474 0 1 IGAF Cc1cc(F)cc(N2CCCn3[nH]c(=N[C@H]4[C@H]5CC[C@@H]4CN(c4cc(C)ncn4)C5)nc32)c1 1857558388 ZOZWAERYOYZUFG-OPMZPASUSA-N 448.550 3.115 0 1 IGAF CCCCC[C@@H](O)C[C@@H](CCc1cc(OC2CCNCC2)c(O)cc1CO)OC(C)=O 2356627978 CLMAWDAECLOYPS-IFMALSPDSA-N 437.577 3.211 0 1 IGAF CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 5070511 ULTJLNFYGOFNHJ-ZJOUEHCJSA-N 430.545 3.225 0 1 IGAF O=C(/C=C/c1ccc(C(F)(F)F)nc1N1CCOCC1)Nc1ccc2c(c1)OCCO2 13606947 CCCAZXHLWPASRC-QHHAFSJGSA-N 435.402 3.360 0 1 IGAF COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1O 14437747 RSRURHUUEQLLQS-JKSUJKDBSA-N 432.469 3.010 0 1 IGAF biogenic CN(C)CCCNc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 14964435 VXNZQTZFKFJIJI-UHFFFAOYSA-N 431.558 3.428 0 1 IGAF Cc1ccc(CN2C(=O)CSc3ccc(C(=O)NCCCN4CCOCC4)cc32)cc1 20113307 WLEUVVZDBYFWFS-UHFFFAOYSA-N 439.581 3.086 0 1 IGAF COc1cc2c(cc1OC)C1=NO[C@H](CN3CCN(C/C=C\c4ccccc4)CC3)[C@@H]1CO2 26654769 WZOMJNATDSYQHS-YFAOAMAISA-N 449.551 3.146 0 1 IGAF CC[C@H](O[C@H](CO)Cc1ccc(O)c(OC)c1)[C@H](OC)c1cc(OC)c(O)c(OC)c1 71329568 IXDWWAKFBJRMEW-TXBYWVTISA-N 436.501 3.210 0 1 IGAF biogenic NCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 82071500 HIFITXOIWBWCLR-LJQANCHMSA-N 441.578 3.344 0 1 IGAF C[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NC1CCN(Cc2ccccc2)CC1 82083400 TYVYBEUMRQZCND-INIZCTEOSA-N 438.553 3.302 0 1 IGAF Cc1ccccc1-c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)c4ccccc4)C[C@@H]23)cc1 95866367 LASLRAHMSDQILS-BFLUCZKCSA-N 426.516 3.473 0 1 IGAF Nc1ccc(-c2cccc(C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)n2)cn1 206470604 YWIDUSYWXAGQCT-UHFFFAOYSA-N 432.509 3.424 0 1 IGAF CCO[C@@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)[C@H](O)C(=O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]23C)CO1 238781728 KOGYNKSBLTVNPI-CSZLBLLQSA-N 438.561 3.011 0 1 IGAF Cc1ccc(CSCCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 586971545 UEPAGDOXYKKMRC-UHFFFAOYSA-N 431.583 3.368 0 1 IGAF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(OCCN(C)C)cc2[nH]1 587181791 CYZBRMRWZMSAFP-LBPRGKRZSA-N 439.301 3.222 0 1 IGAF CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2c(N)ncnc2[nH]1 587220272 RHCCUAZGMJTEML-AWEZNQCLSA-N 426.477 3.025 0 1 IGAF COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccccc1C(F)(F)F)[C@@H](C2)C3=O 587420892 MQBZJNOZMVGMOO-KXBFYZLASA-N 426.412 3.402 0 1 IGAF Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccc(O)cc1)[C@H]1C(=O)Oc2ccccc2C1=O 587562768 KFBFBIKXSPSBQO-RTBURBONSA-N 443.415 3.000 0 1 IGAF CS(=O)(=O)C[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568149 LFUMXVXOPYMYDA-KNQAVFIVSA-N 428.437 3.433 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1ncc(Br)cc12 587683483 NMJIPFBRXMZYCE-QZTNRIJFSA-N 441.098 3.476 0 1 IGAF COc1ccc2c(c1)c(CN1CCCN(C)CC1)cn2S(=O)(=O)c1ccc(F)cc1 1772603907 DLHMYITZUGYDET-UHFFFAOYSA-N 431.533 3.164 0 1 IGAF O=C(NCc1ncccc1F)c1nc(CCNCc2nc3ccccc3[nH]2)sc1Cl 1857600369 IMDKPUPZDIHGRY-UHFFFAOYSA-N 444.923 3.469 0 1 IGAF CC1CCN(C2CCN(S(=O)(=O)c3cc(Br)cc4c3OCC4)CC2)CC1 1857611124 BYHFTUFFXWDGEN-UHFFFAOYSA-N 443.407 3.269 0 1 IGAF CC(C)S(=O)(=O)Nc1n[nH]c2cc(-c3cccc(NS(=O)(=O)C4CC4)c3)ccc12 1857619024 JGTQXNCSQVCLHH-UHFFFAOYSA-N 434.543 3.284 0 1 IGAF NS(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)c(CN2CC3(CCNCC3)C2)c1 1911571448 BOSCPBYEOUPDBA-UHFFFAOYSA-N 439.940 3.104 0 1 IGAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@@]3(C)C[C@H]12 2356542780 FDIBLSADLHBGHK-LUJKHNBUSA-N 426.513 3.370 0 1 IGAF C[C@H](CS(=O)(=O)c1ccc2c(c1)NC(=O)CS2)C(=O)NCc1ccccc1Cl 9226509 CDZHDRCHMIIJEO-GFCCVEGCSA-N 438.958 3.110 0 3 IGAF COC(=O)[C@H]1CCCCN1Cc1nc(N2CCCCC2)c2cc(OC)c(OC)cc2n1 11973978 RYPDSTPCOZBKBD-GOSISDBHSA-N 428.533 3.165 0 1 IGAF COC(=O)c1[nH]c(=O)c2cc(OC)c(OC)cc2c1-c1cc(OC)c(OC)c(OC)c1 13863101 VCYNRZGDEXCOND-UHFFFAOYSA-N 429.425 3.025 0 1 IGAF 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CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)NS(=O)(=O)c2cccc(F)c2)cc1 61896381 LWSSUVZTEQVFAF-HSZRJFAPSA-N 446.544 3.162 0 3 IGAF O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)c4ccccc4)CC3)c(F)cc2c1=O 13179378 VBTGIFFJNOGQQY-UHFFFAOYSA-N 435.455 3.136 0 1 IGAF C[C@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCO)C3=O 13367869 ZHECNBLIOXZXBL-FVFQVNOOSA-N 429.557 3.247 0 1 IGAF O=C(NCCN1CCCCC1)c1ccc2c(c1)C(=O)N(Cc1ccccc1Cl)C2=O 28884740 SEHSSTHLLUZETG-UHFFFAOYSA-N 425.916 3.352 0 1 IGAF O=C(Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccco1 82205427 XAUIDHSOAGZHOZ-KRWDZBQOSA-N 448.504 3.002 0 1 IGAF CNC(=O)c1ccc(-n2nc(-c3ccc(C(=O)NCCCN)cc3)c3ccccc32)cc1 98207973 CGHZINICBUGRGZ-UHFFFAOYSA-N 427.508 3.131 0 1 IGAF in-vitro Cc1ccoc1[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(F)F 101176714 DABXGLPZDQYKGO-IBGZPJMESA-N 433.411 3.143 0 1 IGAF Cc1ccc(C(=O)N2C[C@@H]3CNC[C@@H](C2)O3)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 101787026 XYNNEMHCLNODBL-SCQXEXEFSA-N 437.584 3.353 0 1 IGAF 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CCN(CC)c1ccc(-c2nn(C(=O)Cn3nccc3C)c(=O)c3ccccc23)c(O)c1 587667516 NCCOAPNQIRQDEO-UHFFFAOYSA-N 431.496 3.461 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(S(=O)(=O)N(C)C)cc2)N1 587841197 QNADASIFGZZGJD-ZMZPIMSZSA-N 427.339 3.462 0 1 IGAF CCOC(=O)[C@@H](C)[C@@]1(CC(C)=O)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962927973 QJIFJOSSUNKQKM-OECQAKIHSA-N 441.480 3.157 0 1 IGAF COC(=O)[C@@]1(CC(=O)c2ccco2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963188143 LTLLHDKDVUBKSP-ZMZPIMSZSA-N 445.777 3.192 0 1 IGAF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@]2(N1)C(=O)Nc1c(F)cc(F)cc12 963206831 YXZQQRGLDWARDF-DYVFJYSZSA-N 432.732 3.432 0 1 IGAF CC(=O)N1CCc2c(C(=O)N3CCC(c4cccc(F)c4C(F)(F)F)CC3)n[nH]c2C1 1772636304 VICXOPXLVAUSNR-UHFFFAOYSA-N 438.425 3.492 0 1 IGAF O=C(c1cnn(-c2nc(O)c3c(n2)CCC3)c1)N1CCC(c2c[nH]c3ccccc23)CC1 1857591719 ZMXWFHLIBRLUAK-UHFFFAOYSA-N 428.496 3.358 0 1 IGAF COC(=O)c1ccc2nc(-c3cnc(C)[nH]3)c(NCCc3ccc(OC)c(OC)c3)n2c1 1857616843 VJMGPNBVNWBIAQ-UHFFFAOYSA-N 435.484 3.491 0 1 IGAF 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Cc1cccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c12 586943901 IVRNYBDAZKQGQT-UHFFFAOYSA-N 446.960 3.483 0 1 IGAF CN(C)S(=O)(=O)n1nc(C(F)(F)F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509453 SPAPOFYVFDEADC-MRXNPFEDSA-N 443.447 3.142 0 1 IGAF Cc1cc2c(cc1F)[C@H](c1ccc(OCCn3cc(C(=O)O)nn3)c(Cl)c1)NCC2 962303835 WUZVHMUMVZWWNH-FQEVSTJZSA-N 430.867 3.391 0 1 IGAF CC(C)c1nn(C)c2c1[C@@]([C@H]1CCN(C(=O)OC(C)(C)C)CC1=O)(C(F)(F)F)NCC2 962914134 CLVYTIGZQHLTIQ-RBZFPXEDSA-N 444.498 3.273 0 1 IGAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](N[C@H](CO)Cc1cnc[nH]1)(c1ccccc1)C(=O)N2 1772612956 NLSBQQQOPKFZRK-CPJSRVTESA-N 443.507 3.070 0 1 IGAF O=C(NCc1ccccn1)c1csc([C@H]2CCN(CCc3nc4ccccc4[nH]3)C2)n1 1857558016 RCKLCNCWIICFHJ-INIZCTEOSA-N 432.553 3.376 0 1 IGAF COC(=O)c1ccc2nc(CO[C@@H]3CN(C(=O)c4ccc(Cl)cc4)C[C@H]3F)[nH]c2c1 2356299351 HBEABLGZAWDTPC-CRAIPNDOSA-N 431.851 3.382 0 1 IGAF Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@H]3CNC(=O)CC(C)(C)CC(=O)O)n1 2356863615 VHGHGVHONVATIK-BZSNNMDCSA-N 440.544 3.230 0 1 IGAF CC1(C)S[C@@H]2[C@H](C(=O)OCc3ccccc3)NC(=O)N2[C@@H]1C(=O)OCc1ccccc1 12479016 LPXALDJLBWHJBQ-GUDVDZBRSA-N 440.521 3.087 0 3 IGAF C[C@]1(C(=O)Nc2cccc(NS(C)(=O)=O)c2)CCN1Cc1ccccc1OC(F)F 61897274 YUPJZKMMVSJLCV-HXUWFJFHSA-N 439.484 3.263 0 3 IGAF CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N[C@]21CCCN(CC2CCCCC2)C1=O 61921226 MXKVSHBFAXOQQO-PIXQIBFHSA-N 437.584 3.202 0 3 IGAF O=C([C@H]1CCCN1S(=O)(=O)c1cccc2ccccc12)N1CCN(c2ccccc2)CC1 201442918 UAUKRQZJTKCZLI-HSZRJFAPSA-N 449.576 3.342 0 3 IGAF O=C(O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1 9857875 GKPAYHSBTRLGEH-UHFFFAOYSA-N 426.523 3.122 0 1 IGAF CN1C(=O)[C@@H](NC(=O)Nc2cccc(CC(=O)O)c2)N=C(c2ccccc2)c2ccccc21 27436231 NURGVFFFAXQWAP-HSZRJFAPSA-N 442.475 3.275 0 1 IGAF COc1ccc(CCN(C)CCOc2ccc(NS(C)(=O)=O)cc2Cl)cc1OC 27994907 HIYYACAUHZPKSM-UHFFFAOYSA-N 442.965 3.282 0 1 IGAF C[C@@H]1CNc2c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 82212584 NUEXKLLOLJZIEH-SNVBAGLBSA-N 435.267 3.197 0 1 IGAF 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435.459 3.193 0 1 IGAF CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccccc1OC 169720535 UQAYRIRQZVBEML-URVUXULASA-N 435.549 3.464 0 1 IGAF Cc1onc2c1C[C@]1(CC2)Cc2ccc(-c3cncc(Cl)c3)cc2[C@@]12N=C(N)N(C)C2=O 201232532 RLRBLMNRTNMYGV-ZEQRLZLVSA-N 447.926 3.412 0 1 IGAF COc1ccc(C(=O)Nc2cccc([C@]3(CF)C[C@@H](C(F)(F)F)OC(N)=N3)c2)nc1 223524705 URKAGSPSTOXMJN-MAUKXSAKSA-N 426.370 3.173 0 1 IGAF CC(C)(C)c1nnc2sc(COc3ccc(I)cc3)nn2c1=O 299830702 OVPXMXJPKCZCHA-UHFFFAOYSA-N 442.282 3.027 0 1 IGAF COC(=O)C1=C[C@@]2(c3cc(OC)ccc3O1)c1c(ccc(OC)c1OC)C[C@@H](C)N2C 962625568 JHBXUVUKLRRXGC-JBEBIEQOSA-N 425.481 3.282 0 1 IGAF COc1ccc(OCC(=O)NC2CCCC2)c([C@H]2NCCc3c2c(C(C)C)nn3C)c1 962913039 QJQDVDCVIUPSFY-XMMPIXPASA-N 426.561 3.225 0 1 IGAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCN3C(=O)CC[C@@H]3C2)N1C(=O)c1ccccc1 963412602 DYDOGRUJYQXFMP-FQHLQPMKSA-N 443.503 3.300 0 1 IGAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCn5cncc5C4)cc3)sc2n1 1857576014 UBUZZQVWJYULSM-UHFFFAOYSA-N 432.553 3.376 0 1 IGAF CN(C)C1=N[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)NC(=N)N1 1857612423 FPTFWYUWRAIDNV-SFHVURJKSA-N 438.333 3.346 0 1 IGAF CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1CC[C@@]13C[C@]4(C)C=C5C(=O)OC[C@]5(O1)[C@@](C)(C[C@H]32)C4=O 2356493740 FJUKORDKRQJGNE-JURCEMKLSA-N 426.509 3.291 0 1 IGAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@]23OC(=O)C=C[C@@H](O)C[C@@H](CO)CC1 2356790722 FXEKGZBREDRTQE-CRMIEVLGSA-N 445.600 3.297 0 1 IGAF COc1cc([C@@H](CC(=O)O)[C@H]2N(O)C(C)=C(C)N2Cc2ccc3c(c2)OCO3)ccc1O 2356844277 NTEBQTGTBKXSSH-UZUQRXQVSA-N 442.468 3.472 0 1 IGAF Cc1cc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2cccc3cccnc23)no1 20995106 ARDFQGGIRARAHA-SFHVURJKSA-N 436.493 3.060 0 1 IGAF COc1cc(C(=O)NC[C@@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)cc(OC)c1C 28460480 XXDZODAIWCMDQB-SFHVURJKSA-N 426.513 3.383 0 1 IGAF CN(CCO)Cc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12 28817122 KAQAVWVXKVKDIM-UHFFFAOYSA-N 445.502 3.434 0 1 IGAF COc1ccc(CNc2ncnc3c(CCO)c(OC)c(NC(C)=O)cc23)cc1Cl 42888988 YZMXAIKXCRWLSJ-UHFFFAOYSA-N 430.892 3.406 0 1 IGAF COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1coc2ccc(-c3ccccc3)cc2c1=O 71335184 IJTPGCCQUNDDDM-OAQYLSRUSA-N 434.448 3.278 0 1 IGAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCCCC3)[C@@H]2N1CC1CCCC1 95879252 ZQKJUAGJDWMPNS-HICMYGMISA-N 439.600 3.048 0 1 IGAF Cn1c2c(c3cc(S(=O)(=O)c4ccc5c(ccn5CCO)c4)ccc31)[C@H]1CC[C@@H](C2)N1 96175263 DUTCNPUXEDDNHE-OXJNMPFZSA-N 435.549 3.307 0 1 IGAF Cc1cc(Br)cnc1C(=O)Nc1cccc([C@]2(C(F)F)COCC(N)=N2)c1 113657124 IEHQAHFMCOEDIU-SFHVURJKSA-N 439.260 3.253 0 1 IGAF CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(OC)cc1)[C@H](N)CC2 142942732 RQRVBVNZUOPMLY-DHIUTWEWSA-N 432.586 3.003 0 1 IGAF COCCNc1cccc2[nH]c(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)cc12 149885200 CMQYMJDTQIBHDE-UHFFFAOYSA-N 429.484 3.410 0 1 IGAF CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1C(=O)NC 220097304 HLFGZEMUXPOTAC-UHFFFAOYSA-N 425.514 3.406 0 1 IGAF C[C@@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1nc(-c2ccc(Cl)cc2)no1 221666067 HUKBLSVUBDBPMC-JTNHKYCSSA-N 430.852 3.059 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@H]2[C@@H](C)O)n1)c1cnn(-c2ccc(Cl)cc2)c1 226101526 OQBOQQPZTMRUOB-AHIWAGSCSA-N 428.880 3.195 0 1 IGAF O=C1CCc2cc3nc(-c4ccc5ncc(I)n5c4)[nH]c3cc2N1 587187415 HEHULHOHVITIDL-UHFFFAOYSA-N 429.221 3.367 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC23CN(C(=O)OC(C)(C)C)C3)N1 587771961 HDYONPYEXHMEPN-WLRWDXFRSA-N 427.314 3.337 0 1 IGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 587871992 GJGXKZXBYBBIQS-UHFFFAOYSA-N 431.489 3.357 0 1 IGAF CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(OCCF)cc2)cc1)P(=O)(O)O 653702468 ZUDLCPWNXNYUFW-GOSISDBHSA-N 431.422 3.140 0 1 IGAF Cc1cc2c(N=c3cncc[nH]3)ccnc2cc1-c1cnc(N2CCCN(C)CC2)nc1 1857565505 VGLDVENGJLNFQJ-UHFFFAOYSA-N 426.528 3.098 0 1 IGAF CC(C)=C[C@@H]1O[C@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@]3(O)[C@H](C)CC[C@@H]3[C@H](C)[C@@]12O 2356406340 UFFWLVBPDWIHBR-HBIREUJGSA-N 432.557 3.105 0 1 IGAF CSCC(=O)N[C@H]1CCN2C(=O)c3cc(C=Cc4ccccc4)ccc3NC(=O)[C@H]2C1 2356821851 GFJHVBMVJUSHAZ-GHTZIAJQSA-N 435.549 3.262 0 1 IGAF COc1ccc([C@H]2OC(=O)C[C@H]2C(=O)N2CCN(c3ccccc3Cl)CC2)cc1OC 201462574 PHVXCJDKJURBJB-OPAMFIHVSA-N 444.915 3.310 0 3 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCc1ccccc1N 785957 FKQHFKZOQXECJE-YSWHEONWSA-N 437.540 3.046 0 1 IGAF Cn1c(O)c(C2=NN=C(O)/C2=N\Nc2cccc(Br)c2)c(=O)c2ccccc21 13409440 QLNRESTVTMTSHI-UHFFFAOYSA-N 440.257 3.149 0 1 IGAF biogenic COC[C@H](CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O 13471941 DFIPAYGHEIHLSB-CYBMUJFWSA-N 449.403 3.014 0 1 IGAF COC(=O)c1ccccc1NC(=O)CN1CCC(N2C(=O)OCc3cccc(C)c32)CC1 13612763 KAXIAXHHJUTKKU-UHFFFAOYSA-N 437.496 3.341 0 1 IGAF CC(=O)OC[C@H](Cc1ccc2c(c1)OCO2)[C@H](COC(C)=O)Cc1ccc2c(c1)OCO2 14437701 GFOPJZZAXNTRGJ-PMACEKPBSA-N 442.464 3.288 0 1 IGAF biogenic COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1OC 14437780 AIIBKXWZZGYRAR-CVEARBPZSA-N 430.453 3.024 0 1 IGAF biogenic,in-vitro COc1cc2c(c(OC)c1OC)C[C@@H]1COC(=O)[C@@H]1Cc1c-2cc(OC)c(OC)c1OC 14715074 ZSPMNJCSHBZQPT-CHWSQXEVSA-N 444.480 3.293 0 1 IGAF biogenic Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(O)c4)cc[nH]c3=O)nc12 28703506 NVXUNXUNXWQVAY-HXUWFJFHSA-N 442.479 3.263 0 1 IGAF C[C@@H]1CCN(c2ncc3cc(F)ccc3n2)CCN1C(=O)c1ccccc1-n1nccn1 43196187 XBSMDANCGKSKGK-MRXNPFEDSA-N 431.475 3.091 0 1 IGAF COc1ccc(CNC(=O)N[C@H]2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)cc1 45302214 HVCBCXSPANBHQW-IBGZPJMESA-N 436.491 3.446 0 1 IGAF N[C@H](Cc1ccccc1)C(=O)N1CCN2C(=O)OC(c3ccccc3)(c3ccccc3)[C@H]2C1 45495519 WSHSOMYIOWSNQH-DNQXCXABSA-N 441.531 3.163 0 1 IGAF O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 95795782 WKRXUPRECLBEMI-LSQMVHIFSA-N 448.469 3.443 0 1 IGAF CCC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 95873661 QXERRVTTWGDQIQ-GNKBHMEESA-N 449.595 3.217 0 1 IGAF COc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3C(=O)c2ccc(F)cc2)cc1 95893712 GNXIZIGCUMANRG-KMDXXIMOSA-N 446.478 3.464 0 1 IGAF C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)C(=O)N(CCO)C3 103237842 JPZJNLGSNUKQJO-ZEZYSELDSA-N 429.557 3.247 0 1 IGAF COC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)[C@@H](O)C[C@@]32O)C1 118922675 HLVMTJOTGLNNPR-OWDOCNPBSA-N 448.556 3.366 0 1 IGAF NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2CNC(=O)Oc2ccccc2)c2ccccc21 148261735 NWQLSIVIGQZSIA-CABCVRRESA-N 439.447 3.301 0 1 IGAF CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1 149392077 TZRCHVDHHHPQKY-UHFFFAOYSA-N 430.493 3.130 0 1 IGAF CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(F)cn3)c2)c2cnccc21 1772604572 HEWWOJXVYDRQSY-UHFFFAOYSA-N 447.470 3.105 0 1 IGAF Cc1oc2c([C@H]3CCN(C)C[C@H]3O)c(O)cc(O)c2c(=O)c1[C@@H](O)c1cccc(Cl)c1 1772606545 NXKBXMRAJIWSRG-OXTHUFEASA-N 445.899 3.028 0 1 IGAF O=c1cc(NC[C@@H](O)CN2CCN(c3nccc4ccc(F)cc34)CC2)c2ccccc2o1 1857564914 SJCCHHKLFODASY-LJQANCHMSA-N 448.498 3.075 0 1 IGAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2F)=N[C@H]1CCC(=O)N1CCOCC1 1857651557 SUKOLKLCFGFXHC-IBGZPJMESA-N 429.879 3.276 0 1 IGAF O=C(N[C@H]1C[C@H](c2nnc(-c3ccncn3)n2-c2ccccc2Cl)C1)c1ccccn1 1911579020 FZJXZJRCQJPQDJ-SHTZXODSSA-N 431.887 3.449 0 1 IGAF CCOC(=O)[C@@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC(C)CC1 6725309 CXDCCBGUIJJKJW-LIFAGWGASA-N 427.545 3.089 0 1 IGAF CCC(CC)COC(=O)[C@@H]1C[C@H]2C[C@@H](Nc3ccccc3-c3nnn[nH]3)CC[C@H]2CN1 13645814 KQDBQKHPLFHNIW-NYUBLWNDSA-N 426.565 3.405 0 1 IGAF COc1cc(C[C@@H]2C(=O)OC[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 14437759 VUNCHONBJWJYID-IRXDYDNUSA-N 446.496 3.313 0 1 IGAF endogenous,in-man CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4CCCN4[C@@H](C(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 20480042 SBHPYWUIZUXOQZ-DOIPELPJSA-N 436.895 3.378 0 1 IGAF O=C(/C=C/c1cccnc1)N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl 28339858 YCHVIWVGPCRRAF-UZYOAWRESA-N 430.748 3.289 0 1 IGAF CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)NCc1ccc(F)cc1 28702159 QANKXFNUEGXTLP-IBGZPJMESA-N 426.448 3.254 0 1 IGAF CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(CC1CC1)C2 28955374 FXQWXZXBOMJWJV-UHFFFAOYSA-N 429.586 3.437 0 1 IGAF O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 29125428 VNLGDOUPVSLZFS-GOSISDBHSA-N 439.865 3.479 0 1 IGAF C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)CCN1C(=O)Cc1ccc(F)cc1 35970398 HETDCNLHSCWGNG-HNNXBMFYSA-N 434.895 3.218 0 1 IGAF COc1cc2nc(N3CCC[C@H](C(N)=O)C3)nc(NCc3cccs3)c2cc1OC 82119699 JYFVUUMEPTUTIH-ZDUSSCGKSA-N 427.530 3.022 0 1 IGAF CC(C)(O)Cn1cc(-c2nc(C3(c4ccc(-c5ccc(N)nc5)nc4)CCC3)no2)cn1 96175559 NCBSEGKRBYGCQE-UHFFFAOYSA-N 431.500 3.213 0 1 IGAF COc1cccc(NC(=O)C2CCC(C/N=c3/c(N4CCC(C)CC4)c(O)c3=O)CC2)c1 103902720 QYVXNAFATJRRQN-QLYXXIJNSA-N 439.556 3.219 0 1 IGAF CN(C)C(=O)C1CN(C(=O)c2cc(Cl)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 144804644 YNXOQQXUZYXJAV-HXUWFJFHSA-N 438.833 3.279 0 1 IGAF COc1cc(Br)c([C@@H](N)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1OC 586975714 QNLWUDWYOKJLCJ-QGZVFWFLSA-N 433.306 3.093 0 1 IGAF CC(C)(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595030 ODIRYICBOLWYFV-FRLSHVLYSA-N 439.464 3.358 0 1 IGAF CCOC(=O)COc1ccccc1[C@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972512 JCFNRQGSJJBTRB-VFNWGFHPSA-N 439.842 3.423 0 1 IGAF CC(=O)[C@H](N)[C@@]1(C)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963011723 HRQHXPCTGAXAQO-MSYCTHLASA-N 439.899 3.105 0 1 IGAF Cc1c(O)ccc2c1[C@@](C)(c1cc(I)ccc1F)N[C@H](C(=O)O)C2 963473261 SKMOHMZJZQKRRO-KBXCAEBGSA-N 441.240 3.307 0 1 IGAF CC(C)(O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCCOC(F)F)c2cn1)c1ccccc1 1772643582 JZDMQKWZBLEEDD-INIZCTEOSA-N 435.431 3.210 0 1 IGAF CCOC(=O)c1ccc(-n2c(N3CCN(C(C)C)CC3)nc3c(F)cccc3c2=O)cc1 1857547155 CLMZPLJGQVBNLI-UHFFFAOYSA-N 438.503 3.232 0 1 IGAF CCC(=O)N1CCc2c(sc3ncn(CCc4cc(OC)ccc4OC)c(=O)c23)C1 1857552027 QOHHZEULBRJCHF-UHFFFAOYSA-N 427.526 3.013 0 1 IGAF CCn1c([C@](O)(c2ccccc2)c2cccc(O)c2)nc2ccc(C(=O)NC[C@@H](C)O)cc21 1857615028 JEGWKPRKUFNIRR-QUGAMOGWSA-N 445.519 3.157 0 1 IGAF O=C(c1ccc(Cl)cc1)N1C[C@H]2COCCN2C2(C1)CN(C1CCC(F)(F)CC1)C2 2356289150 QQGCLZUTDKWGOU-IBGZPJMESA-N 439.934 3.129 0 1 IGAF CC(=O)O[C@]1(C)C[C@H](OC(=O)C=C(C)C)[C@@H]2[C@H](OC(=O)[C@]2(C)OC(C)=O)[C@@H]2C(C)=CC[C@@H]21 2356399358 SZNMUMJGTBKPNX-HLFJLFBLSA-N 448.512 3.036 0 1 IGAF COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2cccc(F)c2)c2cccc(F)c2)n1 13756036 WAZSLZZZKKHKKE-LJQANCHMSA-N 446.406 3.194 0 1 IGAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1ccc2c(c1)ncn2Cc1ccccn1 36330280 LWKXBZNNUAZNID-UHFFFAOYSA-N 443.579 3.380 0 1 IGAF Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(C)n1 95479479 IFFBOVLYGJAFKB-UHFFFAOYSA-N 431.456 3.164 0 1 IGAF in-vitro COC1=C(c2ccc(Cl)cc2)C(=O)O[C@H]1[C@H](O)c1ccc(N2CCOCC2)c(F)c1 95594055 YZGLTMYTBNGJFV-CTNGQTDRSA-N 433.863 3.332 0 1 IGAF O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 95866073 BTSNKRNUIDLFIL-CADPCMDGSA-N 439.515 3.063 0 1 IGAF O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1cc(Cl)cc(Cl)c1 95903445 BEXHONHOIJOFFZ-CEXWTWQISA-N 443.371 3.328 0 1 IGAF CO[C@]12C=C[C@]3([C@@H]4[C@@H]1CC[C@]4(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 100576327 HEBLYOJAZBWIJZ-KDNQPWDRSA-N 435.564 3.164 0 1 IGAF COc1cc(-c2cc3c(c(C)n2)C(=O)N(c2cnn(CC(F)(F)F)c2)C3)cnc1OC 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NS(=O)(=O)c1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587116999 PFAVQJYNHRYTEH-UHFFFAOYSA-N 433.843 3.199 0 1 IGAF COC(=O)C1=C2CCCN2C(=O)C[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343878 DTJVSHPTUTYHTE-RDPSFJRHSA-N 437.423 3.082 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CC(C(=O)O)C[C@H]1CN(C(=O)OC(C)(C)C)C2 587398942 JSFGOQAEAQMVQZ-LCWHGTPUSA-N 430.501 3.259 0 1 IGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)c(S(C)(=O)=O)c1)CC2=O 587490902 ZVMKFYIRLWHFPC-OAQYLSRUSA-N 445.537 3.291 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3nnnn3C)cc2)N1 587761128 SGOMKDAOSOPXBH-NSPYISDASA-N 432.297 3.314 0 1 IGAF CCOC(=O)Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587777590 RWBIOWDOGQRWEZ-UHFFFAOYSA-N 427.404 3.488 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 587841556 RDOGBDZJIZXOPQ-TYHFBIBGSA-N 445.398 3.433 0 1 IGAF COc1ccc2ccc(=O)oc2c1[C@@H](OC(C)=O)[C@]1(C(C)C)c2nn(C)cc2CCN1C 963954301 IVPICQAQCZNWLZ-RPWUZVMVSA-N 439.512 3.179 0 1 IGAF 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N=C(N)NCC(=O)NCC1(Cc2ccc3ccccc3c2)CCN(Cc2ccccc2)CC1 299821815 KWCCRLUVBBXLLW-UHFFFAOYSA-N 443.595 3.264 0 1 IGAF CC1=C[C@H](NCCCCCCN[C@@H]2C=C(C)N=C3C=CC(N)=C[C@H]32)[C@@H]2C=C(N)C=CC2=N1 299848902 OUGMBBMDFYNOHT-QMWXCIFZSA-N 432.616 3.237 0 1 IGAF Cc1ccsc1C(=CCCN1CCN(C(=N)N)C[C@@H](C(=O)O)C1)c1sccc1C 299855213 ARKCDJOKMZAWQK-INIZCTEOSA-N 432.615 3.460 0 1 IGAF CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(Cl)ncnc5[nH]4)nc3n2)cn1 587127903 CSSQYCNMDOIJPY-UHFFFAOYSA-N 444.837 3.050 0 1 IGAF COC(=O)c1cc(Br)c2[nH]c([C@]3(N)CCc4cc(OC)ccc4C3)nc2c1 587247237 NNJBLYAJZVXQIK-FQEVSTJZSA-N 430.302 3.464 0 1 IGAF COC(=O)C1=C2CCCN2C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587343877 DTJVSHPTUTYHTE-HYBUGGRVSA-N 437.423 3.082 0 1 IGAF Cn1nnnc1COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587581917 JRHXQAPHDVUGFN-NFBKMPQASA-N 430.420 3.198 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@]1(CC)N[C@H](C)Cc2cc(Br)c(F)cc21 587794186 GBUCUBJWIWGUSG-NSPYISDASA-N 430.314 3.470 0 1 IGAF 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O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(O)cccc2[C@@H]1CN1CC[C@@H](O)C1 13737728 FWOHZFVTZAFRGX-QRWLVFNGSA-N 435.351 3.434 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@]34CCN(C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](c1n[nH]c(=S)o1)C2 28262399 UKJJYGWKCLKGDT-IHNCAGORSA-N 439.537 3.129 0 1 IGAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)[C@H]1COC(=O)N1Cc1ccccc1 28569329 PYJICGWLSSEOBM-XMMPIXPASA-N 447.579 3.494 0 1 IGAF CCOC(=O)c1nn2c(O)nc3cc(Cl)c(-n4cccc4)cc3c2c1C(=O)OCC 29060689 JUXYVFWRUWUFNJ-UHFFFAOYSA-N 428.832 3.386 0 1 IGAF COc1ccc(Nc2ncccc2-c2nc3n(n2)S(=O)(=O)c2ccccc2N3C)cc1 73197536 ORJOBSIOZXGWDY-UHFFFAOYSA-N 434.481 3.411 0 1 IGAF CC(=O)OC[C@H]1[C@H]2[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@@H]2CC[C@]12CO2 95486040 VDUBTHRPHOEQKW-UPDRVWFQSA-N 434.529 3.202 0 1 IGAF biogenic,in-vitro COc1ccc2c(n1)C=C(C(=O)N1CCc3nc(-c4cccnc4)nc(OC(C)C)c3C1)C2 96168393 TWGBNFVYOCADIL-UHFFFAOYSA-N 443.507 3.254 0 1 IGAF CNC[C@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccccc2)c1 114345611 HZCSYARAUKXOFF-NRFANRHFSA-N 440.507 3.354 0 1 IGAF CNC(=O)c1c(-c2ccc(F)cc2)nc2cc3c(cn12)[C@H](C)CCCN3S(C)(=O)=O 143370010 HZPOHZCOERSJLW-CYBMUJFWSA-N 430.505 3.163 0 1 IGAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1COCC2)c1ccc(C#N)s1 146112869 BPSGFIBXMGVHLM-WMLDXEAASA-N 426.542 3.457 0 1 IGAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCN[C@H](C(F)(F)F)C3)cc2n1 221612151 ZUPFJKSJZHRSRX-FQEVSTJZSA-N 432.421 3.476 0 1 IGAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@]1(C)c1cc(OC)c(OC)c(OC)c1 299834330 LEYMCINOTNJMAQ-ZEQRLZLVSA-N 444.480 3.285 0 1 IGAF CCc1cc(OCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1Cl 587052854 QAAOUWHSTGRXOT-UHFFFAOYSA-N 435.933 3.379 0 1 IGAF CCC[C@]1(CC(=O)N[C@@H]2CCOC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338116 QLXHOEBSNAARMH-UTSGNWPNSA-N 441.455 3.251 0 1 IGAF CCOC(=O)[C@@]1(c2ccc(F)c(Cl)c2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228080 HXJQMYHRLBKJJS-UGKGYDQZSA-N 428.847 3.433 0 1 IGAF COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(=O)c1ccc(Cl)cc1 1772600691 UUCAMXQJUHOZHB-UHFFFAOYSA-N 428.876 3.164 0 1 IGAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C[C@@H]2CCCO2)[C@@H](C)C(=O)N3C)cc1 1857746625 NJCKTHYQQQZAAB-WMZOPIPTSA-N 429.542 3.146 0 1 IGAF OC[C@H]1[C@H](Cc2ccnc(COc3ccccc3)n2)[C@@H](NCC2CCCCC2)C[C@H]1O 2356600427 LPZHBLYFKADUTE-NEWJYFPISA-N 425.573 3.126 0 1 IGAF CC(=O)OC[C@]12CCC[C@@H]3[C@]4(C[C@H](c5ccoc5)OC4=O)[C@H](C)C[C@H](OC(C)=O)[C@@]31CO2 2356688995 USJOKJNZACCFKR-UEHRAFASSA-N 446.496 3.344 0 1 IGAF CC1(C)C=Cc2c(ccc3c2N(O)[C@H]2C3=C[C@@]34NC(=O)[C@@]5(CCCN5C3=O)C[C@@H]4C2(C)C)O1 2356852845 QUBIKEGTSZLTCD-HOFFSEQDSA-N 447.535 3.122 0 1 IGAF CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)NCCCCCNC(=O)OC(C)(C)C 36388200 HNYJZVSJWGHBFX-UHFFFAOYSA-N 443.548 3.107 0 3 IGAF CCCS(=O)(=O)NC(=O)[C@@]1(C)CCCN(C(=O)c2cc(-c3cccs3)oc2C)C1 61895338 IJNMKDDCIZOGGU-FQEVSTJZSA-N 438.571 3.415 0 3 IGAF COc1ccc2nc3n(c(=O)c2c1)-c1cc(C)ccc1C(=O)N[C@H]3Cc1ccc(O)cc1 61949236 SABLWLLMKISUKX-NRFANRHFSA-N 427.460 3.436 0 3 IGAF Cc1ccc(S(=O)(=O)C[C@@H]2O[C@@H]3CCCC[C@@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 169299655 UQBVUWIFGBRGGC-BDTNDASRSA-N 449.594 3.436 0 3 IGAF O=C1CCC(=O)C12CCN(CCCCN1CCN(c3nsc4ccccc34)CC1)CC2 11616849 VBTBWKAVODMDCT-UHFFFAOYSA-N 440.613 3.213 0 1 IGAF in-man COc1ccc(CCN(C)CCC[C@@H]2Oc3cc4c(cc3NC2=O)OCCO4)cc1OC 13780772 SIAXBMJNTBTIQF-IBGZPJMESA-N 442.512 3.129 0 1 IGAF COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1 29252522 YNZRMJASGPITFJ-UHFFFAOYSA-N 426.557 3.204 0 1 IGAF COc1ccc(N2C[C@H](CN3CCC(O)(c4ccc(OC)c(OC)c4)CC3)OC2=O)cc1 29416072 RMAMFNDFIRVQBE-FQEVSTJZSA-N 442.512 3.021 0 1 IGAF COc1ccc(-n2cc(C(=O)c3cc(Br)ccc3OCC(=O)O)cn2)cc1 36127043 IPDACYXTBUWPEL-UHFFFAOYSA-N 431.242 3.338 0 1 IGAF COc1cc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)COC(C)=O)cc(OC)c1OC 58583043 LSUNDYSUIHSGPK-IBGZPJMESA-N 426.469 3.262 0 1 IGAF COc1cc([C@H]2CC(c3cccc(Br)c3)=NN2C(=O)CO)cc(OC)c1OC 58590947 VUFJWXNMVIRIAR-MRXNPFEDSA-N 449.301 3.145 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)NCc3ccccc3)c(-c3cccc(C)c3)n2)CC1 82146366 RZYGMJAWWMCLSP-UHFFFAOYSA-N 429.524 3.051 0 1 IGAF COc1ccc(Nc2ncnc3cc4oc(=O)n(CCCN5CCOCC5)c4cc23)cc1 84704816 XHCCJRYYZDPKQJ-UHFFFAOYSA-N 435.484 3.012 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)NC2CCCC2)C1 95796581 YOMIOEXLRSAPBQ-OAQYLSRUSA-N 438.572 3.141 0 1 IGAF CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@@H]21 95892776 HJRBVKTVNLVVPO-KPFFTGBYSA-N 439.468 3.186 0 1 IGAF Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1C1=C[C@@H](N)[C@@H](O)CC1 96177736 MQPBLTYDXWTNQU-CTNGQTDRSA-N 436.462 3.295 0 1 IGAF CCNC(=O)O[C@@H]1CC2=C(C)C3=C(C=C[C@]24COC(=O)[C@@H]4C1)C(=O)O[C@H]3c1ccoc1 103232800 OGZSPYGTSKTOII-JSQMQFOXSA-N 425.437 3.128 0 1 IGAF Cc1cc(S(=O)(=O)n2cc(-c3ccco3)[nH]c2=O)ccc1NC(=O)NC1CCCCC1 169331078 RKMHJKLJBKSJDT-UHFFFAOYSA-N 444.513 3.436 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1nc(-c2ccc(C#N)cc2)cs1 221664690 XRDCVBTVNWZCPZ-OGHNNQOOSA-N 436.497 3.351 0 1 IGAF CCc1ccc2nc([C@H](NS(=O)(=O)c3ccc(CNC(C)=O)cc3)C(C)C)[nH]c2c1 586933059 MAZLRYROHCTTDU-OAQYLSRUSA-N 428.558 3.437 0 1 IGAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4cc(N)c(N)cc4[nH]3)cc2)cc1 586944045 FVAPYBQBRRCEJU-UHFFFAOYSA-N 435.509 3.075 0 1 IGAF CN(C)S(=O)(=O)c1cccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587167704 BKSUSTNIKCLIEB-UHFFFAOYSA-N 426.477 3.077 0 1 IGAF CNC(=O)COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587743922 QCLFQQBZNUWWBS-BIBXISHDSA-N 437.309 3.345 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Nc1ccc(S(C)(=O)=O)cc1 587869163 CZZHKNRVKHTYOM-UHFFFAOYSA-N 440.403 3.456 0 1 IGAF C/C=C1/NNC(=O)C(c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)=C1CC 587923428 PMSNCLBZQNIIKZ-OMCISZLKSA-N 432.571 3.298 0 1 IGAF COc1cc(CN(C)[C@@H](C)c2ccc3c(c2)CCO3)cc(OCCN2C(=O)CCC2=O)c1 1772625901 GPODLCWRUYGTHH-KRWDZBQOSA-N 438.524 3.351 0 1 IGAF Cc1cccnc1-c1cccc(N2C[C@H](N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1 1857753167 BXZVSYVODOLERX-HXUWFJFHSA-N 447.564 3.077 0 1 IGAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNS(=O)(=O)c2ccc(Cl)cc2)CC1 2356564172 KPPISELBQBSOQE-NLWGTHIKSA-N 426.026 3.061 0 1 IGAF CCc1nc2ccc(C(=O)N(CC)CCN(C)C)cn2c1N(C)C(=O)C1CCCCC1 61895578 VKPOHZQIYBINFK-UHFFFAOYSA-N 427.593 3.464 0 3 IGAF CC1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCCC4)c(=O)c3c2)CC1 9495495 IRVOQNNMNCZCSM-UHFFFAOYSA-N 431.558 3.011 0 1 IGAF COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CCO)C(=O)[C@@H]2OC(C)=O)cc1 13450612 RRIYFTKUPXAPIO-OXJNMPFZSA-N 437.414 3.311 0 1 IGAF COc1cc(C[C@@H]2COC(=O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 14437754 VUNCHONBJWJYID-IAGOWNOFSA-N 446.496 3.313 0 1 IGAF endogenous,in-man CC(C)[C@H](C(=O)NCc1ccco1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 15957153 RZLQVWRMJJDCKY-DVECYGJZSA-N 434.496 3.137 0 1 IGAF biogenic CNC[C@@H]1Cc2cccc3c(C4=C(c5c[nH]c6cc(F)ccc56)C(=O)NC4=O)cn(c23)C1 26829839 PZKTZYRRWDJGOH-ZDUSSCGKSA-N 428.467 3.221 0 1 IGAF CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@H](c3ccccc3)S2)CC1 27524662 QJCQBXDZCGETSF-FQEVSTJZSA-N 425.485 3.243 0 1 IGAF CC(=O)N1CCn2cc(C3=C(c4cccc5ccoc45)C(=O)NC3=O)c3cccc(c32)C1 28122399 FQGBFYNAGSGZFG-UHFFFAOYSA-N 425.444 3.317 0 1 IGAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2C[C@@H]3CNC[C@H](C2)O3)ccc1Cl 28826010 YVDKBJBYBPODBK-BHQREXMESA-N 444.019 3.459 0 1 IGAF COc1cc2nc(N3CCC(C(=O)N4[C@@H](C)CCC[C@@H]4C)CC3)nc(N)c2cc1OC 29222573 BNELLZJFEBVBPQ-GJZGRUSLSA-N 427.549 3.235 0 1 IGAF CCOC(=O)C[C@H]1C(C(=O)OCC)=C(N)Oc2ccc(-c3cc(O)cc(OC)c3)cc21 43119919 FGNWOYHFWZIEBO-GOSISDBHSA-N 427.453 3.230 0 1 IGAF COc1ccc(Cn2nnc(-c3cccc(C(=O)NCc4ccc(C(=O)O)cc4)c3)n2)cc1 45386357 VUTBCSIBPMXNCZ-UHFFFAOYSA-N 443.463 3.025 0 1 IGAF in-vitro CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H](C)NC[C@@H]1C 95668635 QIMBDCVCKXPNLA-HOIFWPIMSA-N 440.544 3.424 0 1 IGAF C/C=C/c1ccc([C@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4cccs4)C[C@@H]23)cc1 95873824 DXNXIBCUAKIKFC-YBZPDRTJSA-N 432.611 3.395 0 1 IGAF Cc1cnc(C(=O)Nc2cccc([C@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)cn1 114348564 PZRFGYNACSHNJL-AWEZNQCLSA-N 427.468 3.253 0 1 IGAF Cc1ccc(-c2csc(Cn3nc(C[C@@H](O)C[N+](=O)[O-])c4ccccc4c3=O)n2)cc1 209647455 ATIVLFNJLUYBNE-MRXNPFEDSA-N 436.493 3.057 0 1 IGAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCC[C@@H](CO)C3)c2n1 223696826 UZBVOBHOQDHUPS-MRXNPFEDSA-N 445.527 3.386 0 1 IGAF Cc1cc(N2C(=O)c3nn(C4CN(C)C4)c(C)c3[C@@H]2c2ccc(Cl)cc2)cn(C)c1=O 261143354 NKRWXLLSKYGFGB-NRFANRHFSA-N 437.931 3.088 0 1 IGAF CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=C[C@H]3O[C@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 299806707 MSHYYZSYRGWFES-FGLPOQTRSA-N 437.558 3.071 0 1 IGAF COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1OC 586956053 ZCUUVALPWNYNFZ-UHFFFAOYSA-N 435.889 3.073 0 1 IGAF CS(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Br)ccc34)[nH]c2c1 587000267 HVRDJJPIRKZLPO-AWEZNQCLSA-N 433.331 3.453 0 1 IGAF O=c1cccc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)n1CCOc1ccccc1Cl 587063957 GFUPYHHUJDIHGZ-UHFFFAOYSA-N 433.859 3.100 0 1 IGAF C[C@@H](NS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587532491 NNHXZOXGILBXMO-ZUOKHONESA-N 429.494 3.023 0 1 IGAF C[C@H](Oc1c(Cl)cccc1Cl)[C@]1(C)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963204469 LVWRDEWLLXOUHG-RPNFYGSESA-N 449.338 3.157 0 1 IGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC3COC3)cc21 1857578975 BXFCAMAVLKVJMN-UHFFFAOYSA-N 427.504 3.469 0 1 IGAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CNC(=O)N4CCOCC4)C=C3C)[nH]c2n1 2356286647 JXBYXAHPKLAVOV-IPMKNSEASA-N 441.576 3.405 0 1 IGAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@@H](NCc2ccccc2F)C[C@H]1O 2356680700 QZYVRJIVZQTLLN-DHNNRRLOSA-N 425.479 3.112 0 1 IGAF COc1cc(C[C@H]2CO[C@H](O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 13411709 PIYHDSUVUSVLGU-SRGWNRLKSA-N 448.512 3.104 0 1 IGAF endogenous,in-man CCOc1ccc(Cc2cc([C@@H]3O[C@@H](OC(C)C)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 45322213 UTJMJMFVPBQKQV-MHMIHQHRSA-N 436.932 3.235 0 1 IGAF Cc1noc(C)c1CCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CC12CCCCC2 65259734 JJMPRIMXRYRWHW-NRFANRHFSA-N 445.585 3.221 0 1 IGAF CC[C@@H]1SCc2ncnc(N3CCN(C(=O)[C@H](N)Cc4ccc(Cl)cc4)CC3)c21 66058775 ANUUSLSUVOFECW-AEFFLSMTSA-N 431.993 3.047 0 1 IGAF COCCCNC(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc(-c2ccccc2)cc1 82159197 XWIBWQHKGAUVAZ-UHFFFAOYSA-N 447.539 3.125 0 1 IGAF CC1=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]2(O)[C@H]1OCc1ccccc1)[C@H]1[C@@H](C[C@H]3C)C1(C)C 103224630 BKWJKDPWUAXVGB-WSHSHGDFSA-N 438.564 3.040 0 1 IGAF Cc1nc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(=O)NCCc1ccccn1 103236150 PPQOKRMBLGIXJZ-UHFFFAOYSA-N 439.516 3.400 0 1 IGAF CS(=O)(=O)N(CCCCCCC(=O)O)CCC[C@H](O)CSc1ccc(F)cc1 139904343 IEQNREBINSLYAJ-KRWDZBQOSA-N 435.583 3.356 0 1 IGAF COC1CCC2(CC1)Cc1ccc(-c3nccs3)cc1[C@@]21N=C(N)N(CCF)C1=O 141169099 JARPBKUMPZZCMV-PZPSAWLHSA-N 428.533 3.263 0 1 IGAF O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(NCC3CCCCC3)ccc1-2 143030678 NOKFUPIFXYMEMG-FQEVSTJZSA-N 425.529 3.253 0 1 IGAF C[C@H]1[C@H](Oc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1 225848615 FTQQHPMQVXWTDW-SUMWQHHRSA-N 432.406 3.148 0 1 IGAF CCCCNc1ncc(-c2cc(CN3CCOCC3)ccn2)c(N[C@H]2CC[C@H](O)CC2)n1 261156434 QBCMBQCPRNSFJE-MXVIHJGJSA-N 440.592 3.298 0 1 IGAF Nc1cc(C(=O)O)ccc1Cc1nc2c(Br)cnc(Br)c2[nH]1 587250218 QKCSPRBDCVAKFZ-UHFFFAOYSA-N 426.068 3.354 0 1 IGAF CCOC(=O)c1cc(OCC)n(-c2ccc(C(=O)OC)cc2O[C@H]2CCOC2)c1OCC 587925632 SDNIWASOMHRIBF-INIZCTEOSA-N 447.484 3.406 0 1 IGAF CCS(=O)(=O)C[C@]1(c2ccccc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962656422 AOILWKWRAXQDFY-ZEQRLZLVSA-N 438.549 3.012 0 1 IGAF CCCNc1nccc(N2CC[C@@H](Oc3ccc([C@H](C)C(=O)N[C@H](C)CO)cc3)C2)c1F 1772609003 VDUMNLDTOWELHA-FUHIMQAGSA-N 444.551 3.301 0 1 IGAF C[C@]1(Nc2ncc(C(F)(F)F)cc2F)CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1 1772639986 HAZMOELOWBXLFD-KXBFYZLASA-N 449.412 3.368 0 1 IGAF CN(C)CCN=c1[nH]c(/C=C/c2ccc(S(C)(=O)=O)cc2)nc2ccc(Cl)cc12 1857612258 FDFNIDALAFPZPM-IZZDOVSWSA-N 430.961 3.253 0 1 IGAF O=C(NC[C@H]1CCCO1)[C@H](c1cccnc1)N(C(=O)Cc1cccs1)c1cccnc1 8673008 AZDIDEVIEGEAEJ-KNQAVFIVSA-N 436.537 3.150 0 3 IGAF CC1CCN(c2c(NCC3CCC(C(=O)N4CCc5ccccc5C4)CC3)c(=O)c2=O)CC1 20418533 WHCQBQVWDIAFEV-UHFFFAOYSA-N 449.595 3.322 0 3 IGAF CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)N(C)C 771591 OZOQORKFCDYTSS-AZUAARDMSA-N 428.485 3.291 0 1 IGAF CCOC(=O)c1oc2c(OC)c(O)cc(O)c2c(=O)c1-c1cc(OC)c(OC)c(OC)c1 3198858 MLRLSLPKGJJDGV-UHFFFAOYSA-N 446.408 3.082 0 1 IGAF biogenic NC[C@]1(c2ccccc2)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 27896650 NWEUYWJKWUJMKG-XMMPIXPASA-N 439.462 3.420 0 1 IGAF CCOC(=O)[C@@H]1c2cccn2S(=O)(=O)c2ccccc2N1C(=O)c1ccc(F)cc1 35049993 YDOHGGDCAQRASN-IBGZPJMESA-N 428.441 3.129 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2ccco2)C1 82199392 YWELNZCXWQGFKW-MSOLQXFVSA-N 430.501 3.013 0 1 IGAF CO[C@]12CC[C@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 100660167 OIJXLIIMXHRJJH-YMOQGPNRSA-N 425.569 3.388 0 1 IGAF O=c1cc(-c2ccc(C(F)(F)F)nn2)ccn1-c1ccc2c3c([nH]c2c1)CCNCC3 115007305 IZCHOARMQPFVOF-UHFFFAOYSA-N 425.414 3.483 0 1 IGAF N[C@@H]1CCc2ccc(OCCN3CCCS3(=O)=O)cc2[C@H]1Cc1cccc(Cl)c1 143212382 PLNRNWCBXKAVPU-FGZHOGPDSA-N 434.989 3.354 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@@H]4NC(C(=O)OCC(C)C)=C(C)[C@@H]4C[C@H]4[C@@H](C2)N(C)CC[C@]341 194975089 LCIWAGQFSNMYED-BBHSZHDSSA-N 438.568 3.035 0 1 IGAF O=C(NCCCc1ccccc1)[C@H]1CCC12CN(S(=O)(=O)c1ccccc1Cl)C2 205434866 OVYXEGNGUFYZOK-GOSISDBHSA-N 432.973 3.490 0 1 IGAF CNC(=O)Cn1cc(-c2ccc(N3CCC(n4ccc5ccc(F)cc54)CC3)nn2)cn1 206100567 OAZDCTMDSUWDDQ-UHFFFAOYSA-N 433.491 3.021 0 1 IGAF CCC(CC)(NC(=O)c1ccc(C(F)(F)F)c(OC[C@H]2CCCO2)n1)C(=O)N(C)C 207737430 PHRIUIOMXALSLS-CYBMUJFWSA-N 431.455 3.035 0 1 IGAF CC(F)(F)c1cc(C(=O)Nc2c[nH]c(=O)c(-c3ccnc(N4CCOCC4)c3)c2)ccn1 220679916 MHXDDBSOWRGCEL-UHFFFAOYSA-N 441.438 3.033 0 1 IGAF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc1 586943682 DVBGTESVHYXEHE-UHFFFAOYSA-N 439.522 3.394 0 1 IGAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Br)c(F)cc4[nH]3)c2N)C1 586954826 HOCPUPINLBNSIF-UHFFFAOYSA-N 439.310 3.031 0 1 IGAF CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccnc(N)c2[nH]1 587219910 PWZQQLZUUWMTQW-INIZCTEOSA-N 425.489 3.630 0 1 IGAF CCCS(=O)(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587370926 YVTIZSYCYHQPFK-HXUWFJFHSA-N 433.501 3.465 0 1 IGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1ncc(Br)cc12 587544824 KTHWFZLFXRGOPX-QRWLVFNGSA-N 439.221 3.359 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)(C(O)O)N1 587676208 CWOFVDNDPBFOPE-XLFHBGCDSA-N 445.126 3.439 0 1 IGAF Cn1cc(-c2ccc(=O)n(Cc3cccc(Nc4ncc(-c5cccnc5)cn4)c3)n2)cn1 653701091 UPRHYUFSOFTSOO-UHFFFAOYSA-N 436.479 3.288 0 1 IGAF CCO[C@H](C)n1cc(I)c([C@@H]2NCCc3c2c(C(C)C)nn3C)n1 962923009 TUSXRLAJCCXCPI-PIGZYNQJSA-N 443.333 3.135 0 1 IGAF Oc1nc(N2CCOCC2)nc(N[C@H]2CCC[C@H](O)C2)c1-c1nc2ccccc2s1 1772642809 UTHLBNANUVJKKV-KBPBESRZSA-N 427.530 3.011 0 1 IGAF Cc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3cnn(C)c3C(=O)O)cc2)n[nH]1 1857607545 HMUQXWFEWZDIIW-IAGOWNOFSA-N 435.484 3.445 0 1 IGAF O=c1n(CCCCN2CCN(c3cccc4sccc34)CC2)nc2c(F)cccn12 1911581512 FJLHVGCNLNMUSS-UHFFFAOYSA-N 425.533 3.452 0 1 IGAF COc1cc(C(=O)O[C@@H]2C[C@H]3C[C@H](OC(=O)c4ccccc4)[C@@H](C2)N3C)cc(OC)c1O 2356418125 XPJROVPMNASAKM-MANSERQUSA-N 441.480 3.027 0 1 IGAF CC(C)(C)[C@@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@H](OCCCCO)C1 13634710 DLKYZMUVAPYQRL-GGAORHGYSA-N 430.589 3.413 0 3 IGAF CS(=O)(=O)Nc1cccc(NC(=O)[C@H]2Cc3c(-c4cccc(F)c4)ccnc3O2)c1 61926179 ALBSGVOHARNNSV-LJQANCHMSA-N 427.457 3.201 0 3 IGAF COc1ccc(OC)c(CN[C@@](C)(CCCCC(=O)O)c2nnnn2C2CCCC2)c1 205857404 ASMRHDAAUNATNU-QFIPXVFZSA-N 431.537 3.455 0 3 IGAF CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]34C=C[C@@]12[C@@H](C(=O)O)[C@H]4C(=O)O 4416487 NEZTUQCJKXTWFV-SVUDATHKSA-N 428.525 3.447 0 1 IGAF COc1ccccc1N1CCN(CCCNc2cc(-c3ccccc3)nn(C)c2=O)CC1 13863387 OKNLSDNUZNHITO-UHFFFAOYSA-N 433.556 3.080 0 1 IGAF CC(=O)N[C@@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)Cc1ccccc1 14637973 UBQCFEASTTXIKB-RPBOFIJWSA-N 444.531 3.318 0 1 IGAF biogenic CCOC(=O)CN1C(=O)N(CCCc2cncn2C)C(=O)[C@@]1(C)c1cccc2ccccc12 28571982 DVKDXGDRDHMPRP-RUZDIDTESA-N 448.523 3.249 0 1 IGAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3CCOCC34CCC4)ns2)n1 64527800 UEEGLCWSBGVADM-UHFFFAOYSA-N 436.545 3.383 0 1 IGAF COc1cc2nc(N3CCCCCC3)nc(NCCCN3CCCC3=O)c2cc1OC 82131925 JHIOIQYYKXDWBD-UHFFFAOYSA-N 427.549 3.452 0 1 IGAF Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)CCc1ccccc1)CC3 82196226 PGBHAVQHHFVZRT-UHFFFAOYSA-N 432.549 3.431 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccccc2F)C1 95665186 QQNIVVJYYJMMQU-JOCHJYFZSA-N 449.526 3.468 0 1 IGAF COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1 95900481 YVFPRJXGACQPOR-FPDBKICDSA-N 430.432 3.027 0 1 IGAF CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2ncccn2)c2n1CCOC2)c1ccccc1 146072734 RYPTXZHKVHFGDS-VQIMIIECSA-N 433.512 3.180 0 1 IGAF CCCc1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)N3CCOC)nn2-c2ccccc2)c1 169707270 PZXSHKLVUQKOAF-JOCHJYFZSA-N 447.539 3.471 0 1 IGAF O=C(NC[C@H]1CCCO1)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)c(Cl)c2)cs1 299877815 HXSZEQWUYRDMPZ-AHIWAGSCSA-N 442.368 3.352 0 1 IGAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc(F)cc1 299880791 MVXSWTPDJDNECG-MDYRTPRTSA-N 439.535 3.293 0 1 IGAF CC[C@H](C)C[C@H](C)C(=O)O[C@@]1(C)C(=O)c2c(cc(O)c3c2C[C@@H](O)C[C@H]3C)[C@@](C)(O)C1=O 473101890 LCCGEVUWWBLMGC-IQTLHFCQSA-N 446.540 3.150 0 1 IGAF CN(C)S(=O)(=O)c1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587029140 IGZSUSGYTLFOBD-UHFFFAOYSA-N 438.538 3.335 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)O2 587391671 OBXWBSSXHFHZEW-OXQOHEQNSA-N 428.533 3.337 0 1 IGAF CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@@H]2CN1C(=O)OC)CC(=O)c1cc(C)cc(N)c1O3 587401652 VGDPUNFUJPZDCM-YMPLYOIOSA-N 430.501 3.101 0 1 IGAF COC(=O)C(=O)C[C@]1(c2cccc(OC(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420305 FNEUIOJKKPJWAU-IVZQSRNASA-N 432.375 3.072 0 1 IGAF CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@]12CCCN(C(=O)C(F)(F)F)C2 587423678 YMNZQGOQPVAWGM-GNBIQWSPSA-N 439.430 3.161 0 1 IGAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4c1ccc(C(=O)O)c4N)[C@@H](C2)C3=O 587431433 DZQPDFUCIRATCC-GKVSMKOHSA-N 427.412 3.211 0 1 IGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)N(Cc2cccs2)C[C@@H]1C(=O)OCC 587495151 PGBWXMNNUKTSJM-UZUQRXQVSA-N 443.521 3.332 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601046 QBSDPUXSXCLUDB-BWKNWUBXSA-N 448.427 3.390 0 1 IGAF O=C(c1ccn(Cn2cc(Cl)cn2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587656886 KJQIDLQCDRRFDU-UHFFFAOYSA-N 448.845 3.443 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)Cn3cc(C)cn3)c(=O)c3ccccc23)c(O)c1 587668056 XMKHHPVNSKBUSK-UHFFFAOYSA-N 431.496 3.461 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(OCc3nnnn3C)c2)N1 587758388 ISDLJUWBZGHUEK-JEOXALJRSA-N 432.297 3.314 0 1 IGAF Cc1[nH]n(-c2ccccc2)c(=O)c1[C@]1(C(F)(F)F)NC[C@H]2CC(=O)N(C)c3cccc1c32 963031912 RVJCPVBCCZXNTN-JLCFBVMHSA-N 442.441 3.333 0 1 IGAF O=C1CO[C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@@H]2N1Cc1cccc(C(F)(F)F)c1 2356286215 AXZBBDGLIAKLEX-FXAWDEMLSA-N 434.414 3.046 0 1 IGAF CC1(C)C=Cc2cc3c4c([nH]c3cc2O1)C(C)(C)[C@@H]1C[C@@]23CCCN2C(=O)[C@@]1(C4)NC3=O 2356326257 VQSGPNFTKPKYOS-YZYNAAERSA-N 431.536 3.436 0 1 IGAF CC(C)(C)CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)c2ccc(C#N)cc2)c1=O 25235517 VRLGVYYGTFJFEQ-MJGOQNOKSA-N 432.524 3.354 0 1 IGAF biogenic N=c1oc2ccccc2cc1C(=O)NCCCCNC(=O)c1cc2ccccc2oc1=N 49113013 WPSRLOROCLRECF-UHFFFAOYSA-N 430.464 3.078 0 1 IGAF COc1cc(C(=O)Nc2cc(C)c(C)cc2NC(=O)COC(C)=O)cc(OC)c1OC 66259202 FCWCEEMJEXZHOT-UHFFFAOYSA-N 430.457 3.083 0 1 IGAF O=C(NCc1ccc(OC(F)F)nc1)[C@H]1c2ccccc2C(=O)N1CCc1ccccn1 95552874 OUYULONQGHHEEU-HXUWFJFHSA-N 438.434 3.134 0 1 IGAF C[C@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccc(F)cc3)cnc2O[C@H]1CN(C)CC1CC1 95701725 LXCFFJMNPQQDFP-MFEFFIJZSA-N 441.547 3.450 0 1 IGAF C[C@@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1C)c1ccccc1 95881072 INFASFKFRLPICJ-JLKNQRBZSA-N 447.579 3.277 0 1 IGAF Nc1ncnc2c1C(=O)N(c1ccc(C3CCN(C(=O)C4CCCCC4)CC3)cc1)CCO2 96282567 LREJWLKNQFZYRX-UHFFFAOYSA-N 449.555 3.384 0 1 IGAF Cc1c(Nc2ccc(C#N)cc2Cl)nc2c(/C=C3\NC(=O)NC3=O)cnn2c1NC1CC1 116323989 OFALTHHUQVJUFW-APSNUPSMSA-N 448.874 3.061 0 1 IGAF CCOC(=O)[C@@H](C#N)[C@H](c1cc2ccccc2n2nnnc12)P(=O)(OCC)OCC 140059655 UKEVZTPESGYJIL-RDJZCZTQSA-N 431.389 3.288 0 1 IGAF O=c1nc(Nc2ccc(Cl)c(Cl)c2)n(Cc2ccc(Cl)cc2)c(=O)n1CCO 200520584 TYTCSKQWLRQJSW-UHFFFAOYSA-N 441.702 3.149 0 1 IGAF Nc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(N[C@H]3CCNC3=O)nc2)c1 206852778 XKNHRHXJMRGUAN-AWEZNQCLSA-N 429.406 3.184 0 1 IGAF COc1cc(Br)c([C@@H](N)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1OC 586975063 JTGUTRLIBYZSRG-LJQANCHMSA-N 449.349 3.331 0 1 IGAF COC(=O)C1([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC(OC)(OC)C1 587599998 JYALRSSWGKZJPX-UWJYYQICSA-N 428.437 3.055 0 1 IGAF CCOC(=O)C1(C(=O)OCC)CC2(C1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587797647 MQXGQFZXXXMETI-NSHDSACASA-N 428.298 3.224 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(CN(C)S(C)(=O)=O)o2)N1 587843388 ZHAQPVSYZOPBJF-BMLIUANNSA-N 431.327 3.196 0 1 IGAF COc1ccc2oc(N)c([C@H]3c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)c(=O)c2c1 962628589 CNMCHJZJKYGLPB-CJFMBICVSA-N 445.475 3.120 0 1 IGAF CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2ccc(F)cc2)c1 1857585817 AFRSOMGMYAVULT-HXUWFJFHSA-N 429.492 3.340 0 1 IGAF CC1=C[C@H](CNC(=O)NCc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C 2356399760 GMGVYGVZBBVUAN-ZRBLBEILSA-N 428.621 3.408 0 1 IGAF CC1=C[C@H](CNC(=O)COc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN(C)C 2356836051 KWOQZUXBTNOTIY-XJUOHMSHSA-N 429.605 3.104 0 1 IGAF CCOC(=O)c1cccc(NC(=O)N2CC[C@H](CC(=O)N3CCC(O)CC3)[C@@H](CC)C2)c1 2356865701 WDAFHNLBISNMAH-ZWKOTPCHSA-N 445.560 3.117 0 1 IGAF COCCCNC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1 4001711 AEJWTIXIUWUBKG-UHFFFAOYSA-N 431.558 3.162 0 3 IGAF CCOC(=O)C1(CC2CC2)CCN(S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)CC1 12431288 FWQDBPMNMGTDJR-VGOFRKELSA-N 425.591 3.157 0 3 IGAF CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(C)c2)C1 15943734 LDIQVUSSSHHIIX-HXUWFJFHSA-N 445.585 3.103 0 3 IGAF COCCN1CC(=O)N2C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2114168 KBQXSYDWANXNGC-MZNJEOGPSA-N 437.927 3.499 0 1 IGAF biogenic CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCCOC 4296729 VRPVYYBUYLSCDD-GMAHTHKFSA-N 442.512 3.347 0 1 IGAF CCc1ccc2[nH]c(=O)c(CN(CCN(CC)CC)C(=S)NCCCN(C)C)cc2c1 6197726 FZIIYIFHVVITMU-UHFFFAOYSA-N 445.677 3.061 0 1 IGAF OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(-n4cncn4)cc23)CC1)c1ccccc1 13802569 IYKHNVFYEXEGFE-SANMLTNESA-N 444.583 3.469 0 1 IGAF O=C(O)Cc1nn(Cc2nc3ccc(Br)cc3s2)c(=O)c2ccccc12 13860754 IFJLHPSUTVVIOI-UHFFFAOYSA-N 430.283 3.444 0 1 IGAF COc1ccc(C(=O)N2CC[C@H]3CC(=O)N(Cc4ccc5c(c4)OCO5)CC[C@H]3C2)cc1 15673164 SOUGBPSPZXPGRX-PMACEKPBSA-N 436.508 3.325 0 1 IGAF biogenic O=C1CC[C@](c2ccccn2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 40430469 KJOHICOVVWXUGM-JOCHJYFZSA-N 442.357 3.431 0 1 IGAF Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2CC(=O)NCCCCCCN)cc1 40973646 PSIGIQLADFBHGY-HSZRJFAPSA-N 443.613 3.309 0 1 IGAF CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CCCCCCCCCCC(=O)N[C@@H](C)C(=O)N1 45505864 YNNKKFANJHWHGJ-ANULTFPQSA-N 439.641 3.194 0 1 IGAF O=C(NCc1ccc(S(=O)(=O)c2cnc3ccccc3c2)cc1)c1cnc2[nH]ncc2c1 145191330 GWUSNZQUBZSXBQ-UHFFFAOYSA-N 443.488 3.269 0 1 IGAF COCC(=O)N1CCC(c2nccnc2O[C@H]2C[C@H](Nc3ccc4ccccc4n3)C2)CC1 146162933 WZNWKQHWKXJTFL-BGYRXZFFSA-N 447.539 3.399 0 1 IGAF Cc1cnc([C@@H](O)[C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1 199435605 UNRVITUMVUGDDZ-JXFKEZNVSA-N 425.558 3.181 0 1 IGAF O=C(NCCC1CCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1)c1c[nH]c(=O)o1 217882899 BWKZALBRKUHLGF-OWOJBTEDSA-N 438.311 3.347 0 1 IGAF OCCN1CCN(c2nc(Nc3ccc(Br)cc3)c3ccccc3n2)CC1 473082053 FVURRBVVEFEGAB-UHFFFAOYSA-N 428.334 3.250 0 1 IGAF CNS(=O)(=O)c1cc(-c2nc3cc(Br)c(OCC(C)C)cc3[nH]2)n(C)c1 586947557 SDZLDLFQXSVPRX-UHFFFAOYSA-N 441.351 3.274 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ncc(Br)cc12 587544822 KTHWFZLFXRGOPX-MGPUTAFESA-N 439.221 3.359 0 1 IGAF COC(=O)[C@H](c1ccc(OC)cc1)c1cc2c(O)nc(O)nc2nc1-c1ccc(OC)cc1 587560226 YGIGVHHTLDGDCW-LJQANCHMSA-N 447.447 3.425 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603054 ZPZGTHIRKVLLJG-OFVILXPXSA-N 448.427 3.390 0 1 IGAF Cc1nc(NC(=O)C2CCCC2)sc1-c1ccc(Cl)c(S(=O)(=O)NCCO)c1 653724592 GKXNPIBYSLVVPZ-UHFFFAOYSA-N 443.978 3.171 0 1 IGAF COc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)[nH]c(=N[C@H](O)C(C)(C)C)c2n1 1857768028 MVUZKEPPKXPTEQ-OAQYLSRUSA-N 448.531 3.079 0 1 IGAF CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccco3)N3CCC[C@@H](C)C3)cc2c1 13831848 LZHNMKDOHFOONY-ZHRRBRCNSA-N 448.527 3.376 0 3 IGAF CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 199354804 RPUZLXJUHLBSEB-GOSISDBHSA-N 429.536 3.375 0 3 IGAF COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@@H]3CCCCNC3=O)cc21 2489437 MFTSKJQXRWWTSM-NHCUHLMSSA-N 443.588 3.238 0 1 IGAF CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)c1 4040629 ZQEKITPVVFZXOA-YJGRUCBDSA-N 438.572 3.309 0 1 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@@H](O)CC 4296719 ORMAYFFABOHALT-GNOCETLISA-N 442.512 3.081 0 1 IGAF O=C1Cc2ccccc2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1 13738136 GVEWBUJRQFIULE-UHFFFAOYSA-N 434.565 3.424 0 1 IGAF C[C@H](CNC(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 66077653 SLZVKIRSPIZHMD-MRXNPFEDSA-N 438.590 3.032 0 1 IGAF CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN2c2nc(-c3ccc(O)cc3)cs2)CC1 82194243 IRZWUSBKYLJQHJ-IBGZPJMESA-N 444.557 3.222 0 1 IGAF Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)c2ccccc2O)cc1 84690985 DICWUQOEMHNJMD-UHFFFAOYSA-N 425.388 3.230 0 1 IGAF O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NCC1CCCC1 101001340 HCNPFZWXJFUGSO-UHFFFAOYSA-N 438.509 3.002 0 1 IGAF COc1cc(F)ccc1OC(C)(C)C(=O)NC1[C@@H]2CC3C[C@@H]1CC(S(C)(=O)=O)(C3)C2 101102441 OXJFVFXQQOZVHD-CWKZMSMFSA-N 439.549 3.100 0 1 IGAF O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(Cl)c3)nc12)N1CC[C@H](O)C1 118396090 OEJMWAQAXCXMFH-FUHWJXTLSA-N 444.898 3.462 0 1 IGAF C[C@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1)C(N)=O 142416918 RIDSJFHKIZEMRJ-NSHDSACASA-N 445.401 3.339 0 1 IGAF CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@@]2(C=C(Cl)[C@@H](O)[C@H]3O[C@H]32)O[C@@H]1O 165957878 XKJXLFLLICSWJK-DTLKBIHESA-N 439.980 3.322 0 1 IGAF CC1(C)Cc2c(c(N3CCOCC3)nc(SCCc3ccccc3)c2C(=N)NO)CO1 299856798 CDPZFHVKEAIKIZ-UHFFFAOYSA-N 442.585 3.408 0 1 IGAF O=C1CCc2cc3nc(-c4sccc4S(=O)(=O)Nc4cccnc4)[nH]c3cc2N1 586953680 QCDNMZGDFRHKPJ-UHFFFAOYSA-N 425.495 3.372 0 1 IGAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H](C)Sc3nc(N)cc(O)n3)nc2c1 586960319 AYTGUBDFHZLROV-SSDOTTSWSA-N 438.307 3.433 0 1 IGAF O=S(=O)(c1ccc2nc(-c3cc(F)cc(Br)c3)[nH]c2c1)N1CCOCC1 587161562 WKTNZROMBOAGLI-UHFFFAOYSA-N 440.294 3.152 0 1 IGAF COC(=O)[C@]1(c2nc(N)sc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587533940 ZQWGKOMKFINBMY-GOSISDBHSA-N 437.315 3.400 0 1 IGAF CC1(C)O[C@H]2[C@@H](CO[C@]3(COC(C)(C)O3)[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 587536086 RGKGTAYSWFPCTJ-ZOGBDMNLSA-N 430.497 3.299 0 1 IGAF CC(C)(C)OC(=O)NCc1[nH]c2ccc(S(C)(=O)=O)cc2c1CCCC1OCCO1 587649815 CBTQKGXSBFOPMM-UHFFFAOYSA-N 438.546 3.292 0 1 IGAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2cc(S(=O)(=O)N(C)C)ccc2o1 587871894 DTAQKWKKNJZLIM-UHFFFAOYSA-N 430.461 3.469 0 1 IGAF CCOC(=O)[C@H]([C@@H]1CCS(=O)(=O)C1)[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962670529 RRGXNDMFDWNQFF-UCFCWBNQSA-N 427.566 3.329 0 1 IGAF Cn1cc(C(=O)Oc2ccc([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)cc2)cn1 962730535 NZXRPMABXQBFPU-MOPGFXCFSA-N 429.398 3.374 0 1 IGAF CCOC(=O)C1=C[C@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c2ccc(O)cc2O1 962762026 ITMLTGPSSNOYJS-HRAATJIYSA-N 433.382 3.121 0 1 IGAF CN1C=C(OCc2cccc(Cl)c2)[C@]2(C=C1C(=O)O)NCCc1nc3ccccn3c12 962983672 LXADJONDNITRNH-QHCPKHFHSA-N 436.899 3.301 0 1 IGAF CC(C)c1nn(C)c(N(C)C)c1[C@@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963137769 GGAVAHCSVIYEAH-XJKSGUPXSA-N 449.577 3.402 0 1 IGAF COc1cc2c(cc1OC)[C@@]1(CCNc3ncccc31)N(C(=O)c1ccccc1N)CC2 963147372 WYUIHNGGQJBVDQ-VWLOTQADSA-N 430.508 3.439 0 1 IGAF COC(=O)c1cc2cc(S(C)(=O)=O)ccc2n1C(=O)c1ccc(Br)cc1 13472845 XSQWVTBUWFYDOC-UHFFFAOYSA-N 436.283 3.282 0 1 IGAF O=C(NCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)NS(=O)(=O)c1ccccc1 13492830 CISHLPQOGZOLEP-UHFFFAOYSA-N 442.280 3.361 0 1 IGAF O=C(O)[C@@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1ccc(Br)cc1 13807301 ZMELRSSTECEKFZ-HOCLYGCPSA-N 435.322 3.247 0 1 IGAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H](O)[C@](CO)(CCCc2ccccc2)C[C@@H]3[C@@H]1C5 26000803 MMXFDJAANNJTRD-UZXDBFEJSA-N 435.564 3.034 0 1 IGAF COc1ccccc1COc1ccc(OCCCN2CCOCC2)cc1C(=O)N(C)C 28703650 BPEZVVODQWGNAO-UHFFFAOYSA-N 428.529 3.077 0 1 IGAF CCCCO[C@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)c2ccco2)C1 82198841 IMMCMWGEBDRTHV-OALUTQOASA-N 444.528 3.056 0 1 IGAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC(=O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 101648707 GCLFJDBFHQMHMU-PPLVVCHYSA-N 437.558 3.263 0 1 IGAF COCCn1c2cnccc2c2cnc(Nc3ccc(N4CCC(N(C)C)CC4)cn3)nc21 169706765 GNMDABILIBRYQY-UHFFFAOYSA-N 446.559 3.295 0 1 IGAF COc1ccc(Cl)c(Nc2nccnc2NS(=O)(=O)c2cccc(C(=O)O)c2)c1 299825236 XSNYAKHHMJNROB-UHFFFAOYSA-N 434.861 3.381 0 1 IGAF O=C(NC[C@H]1CCCO1)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)c(Cl)c2)cs1 299877816 HXSZEQWUYRDMPZ-XNJGSVPQSA-N 442.368 3.352 0 1 IGAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cccc(C(N)=O)c3[nH]1)C(=O)OC2 586916185 WTGXBSVPIFOFKR-KPKJPENVSA-N 435.480 3.476 0 1 IGAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2cc(S(=O)(=O)O)ccc2[nH]1 587000242 OWGNXJVCWQCNFH-UHFFFAOYSA-N 437.227 3.051 0 1 IGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(N5CCN(C)CC5)cc4[nH]3)cc12 587036992 CPHRBHLZVBFYGS-CQSZACIVSA-N 437.573 3.062 0 1 IGAF CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587536840 XDEVHRNZCHMMMH-SNHSJHQUSA-N 430.497 3.296 0 1 IGAF Cc1ccc(N2CC[C@@H]3CN(CCCSc4nnc(-c5cnccn5)n4C)C[C@@H]32)cc1 653723355 WXPNHKQJDJARLG-NQIIRXRSSA-N 435.601 3.273 0 1 IGAF COc1cccc(CN2C(=O)CN(C(=O)c3ccc(C)nc3)C[C@@H]2Cc2ccccc2)c1 1857539166 FLCWYAVPIBOBCM-QHCPKHFHSA-N 429.520 3.495 0 1 IGAF O=C(NC[C@@H](O)CN1CCc2ccccc2C1)c1cc2c(s1)CCN(c1ccccc1)C2 1857571088 ZJSCPGUZYRXBTQ-HSZRJFAPSA-N 447.604 3.460 0 1 IGAF CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2ccccc2F)c1 1857620794 HYSIPLFQMVCLCZ-LJQANCHMSA-N 429.492 3.340 0 1 IGAF COC(=O)C=CCC=CC[C@H]1[C@H](C=C[C@@H](O)COc2cccc(Cl)c2)[C@@H](O)C[C@H]1O 2356331142 FNAMRDZHKYQEBA-KHSAKVFQSA-N 436.932 3.059 0 1 IGAF 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CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C(C)C 586932572 HHGCZOAVSWNPLW-CQSZACIVSA-N 441.497 3.273 0 1 IGAF CC(=O)N[C@@H](Cc1nc2cc3c(cc2[nH]1)OCC(=O)N3)c1ccc(Br)cc1 586984323 FBQLDNGUXJKSHX-ZDUSSCGKSA-N 429.274 3.076 0 1 IGAF CCn1cc(Br)c(Cc2nc3cc(I)cnc3[nH]2)n1 587000497 OKISBTHVSVQWDV-UHFFFAOYSA-N 432.063 3.132 0 1 IGAF CN(C)S(=O)(=O)c1cccc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c12 587060529 HECMBUMIYSLLAB-UHFFFAOYSA-N 428.905 3.173 0 1 IGAF NC(=O)c1c(O)ncc2c1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337472 POUHEGSNBPSDED-HYBUGGRVSA-N 434.423 3.322 0 1 IGAF CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342506 FCWQZSOHPBPWNI-MFSJNOQSSA-N 441.455 3.059 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587372690 QQDXPHSVRNBLSX-HXUWFJFHSA-N 432.270 3.333 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(-c3noc(CN4CCOCC4)n3)c1)O2 587381306 GRFCQMIBRRMQRT-FQEVSTJZSA-N 438.459 3.305 0 1 IGAF C[C@@H](N1CCN(CCO)CC1)[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587533531 WSPVJQSDMUHMRL-CJAUYULYSA-N 440.609 3.486 0 1 IGAF COC(=O)Cc1cc(OC)n(-c2nc(-c3ccc(F)cc3NC(C)=O)cs2)c1OC 587945730 QFNUSQQEHZLEIO-UHFFFAOYSA-N 433.461 3.431 0 1 IGAF Cn1c(SCCCN2C[C@@H]3CCN(c4cccc(F)c4)[C@H]3C2)nnc1-c1cnccn1 653728116 UDUUCGMSUBUXNS-JXFKEZNVSA-N 439.564 3.104 0 1 IGAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2nn(-c3ccc(OC)cc3)c(=O)nc2O)N1 962954664 XKDDOIUIZPEWHG-BSEYFRJRSA-N 431.496 3.011 0 1 IGAF COc1ccc([C@@]2(C(F)(F)F)CC(c3ccc(C)cc3)=C(c3nn[nH]n3)C(=O)N2)cc1 1772570232 GAMJCQMXCNJBQT-HXUWFJFHSA-N 429.402 3.405 0 1 IGAF COc1ccc(S(=O)(=O)c2cnc3cc(F)ccc3c2N2CCOCC2)cc1OC 1772599972 BNAFTLKBFUYTAE-UHFFFAOYSA-N 432.473 3.061 0 1 IGAF O=S(=O)(NCCNCCc1ccc(-c2cccnc2)cc1)c1cccc2cnccc12 1857590308 WSIKRQWUOAHLHX-UHFFFAOYSA-N 432.549 3.407 0 1 IGAF C[C@]1(c2cc(NC(=O)c3cnc(C(F)F)cn3)ccc2F)NC(=N)O[C@H](CF)[C@@H]1F 1857643161 ASUXJKFZYWODQA-QWQRMKEZSA-N 429.349 3.252 0 1 IGAF COc1cc(Nc2nc(Nc3ccc(C(N)=O)cc3)nnc2Cl)cc(OC)c1OC 1911573873 DYCOGKOKDZMJNC-UHFFFAOYSA-N 430.852 3.137 0 1 IGAF CCOC(=O)N1CCN(C(=O)c2cc3c(-c4cccc(OC)c4)nn(C)c3s2)CC1 12474863 LAWPXJREZJVVOF-UHFFFAOYSA-N 428.514 3.225 0 3 IGAF O=C(N[C@H]1N=C(c2ccccc2F)c2ccccc2NC1=O)c1ncc2ccccc2n1 13601775 SCTXRBJBGWMYOT-JOCHJYFZSA-N 425.423 3.315 0 1 IGAF COc1ccc(C(=O)NCCCN2CCN(CCCN(CC(C)C)CC(C)C)CC2)cc1 27206878 OYNBJJSKHZSHAY-UHFFFAOYSA-N 446.680 3.437 0 1 IGAF COc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1N1CCN(C)CC1 28525880 OGWAJJGAXANYMJ-UHFFFAOYSA-N 443.979 3.455 0 1 IGAF COCCNC(=O)c1cccc2c1CCN(Cc1ccnc3cc(OC)c(OC)cc13)C2 40429819 RBOXVCVDYDDQOZ-UHFFFAOYSA-N 435.524 3.187 0 1 IGAF CCCCOc1ccc2cc(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)O)C[C@@H]3C(=O)O)ccc2c1 72112278 ZAJDNFYQKMWEGW-UXPWSPDFSA-N 449.525 3.251 0 1 IGAF CN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCCCC1 95797349 WYHNOMMSQAEQKR-USMXWESSSA-N 447.579 3.061 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CN(C)C1 95868703 GPNMEXOZQNVNTB-FQEVSTJZSA-N 438.503 3.090 0 1 IGAF CN(C)CCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2)CC3)cn1 141180279 TXLYNZWSAQRTKG-UHFFFAOYSA-N 428.544 3.068 0 1 IGAF O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)[C@H](Oc2nc3ccccc3o2)C1 146329073 ZKRNNNAGQLCWNT-GOSISDBHSA-N 425.395 3.337 0 1 IGAF CN1CC[C@H](C(=O)N2CC=C(c3ccc(NC(=O)N4Cc5ccncc5C4)cc3)CC2)C1 166213882 POZKMULMAAYXIT-NRFANRHFSA-N 431.540 3.197 0 1 IGAF CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccccc1OC 169720537 UQAYRIRQZVBEML-SJBKTWHCSA-N 435.549 3.464 0 1 IGAF CCNC(=O)c1csc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc12 223690214 FJXOEAGMJCQVOP-KRWDZBQOSA-N 432.553 3.485 0 1 IGAF CN(C)C(=O)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 586943387 UKVSPKDJCIVTMR-UHFFFAOYSA-N 441.340 3.093 0 1 IGAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3c(O)nc(S)nc3[nH]2)c1 587051498 XYKMBLGIYVCHAH-VOTSOKGWSA-N 432.893 3.391 0 1 IGAF Nc1ccnc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc12 587173447 VYAQZPYXILLORP-CYBMUJFWSA-N 447.518 3.314 0 1 IGAF COC(=O)C(=O)C[C@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599235 DHSSFFDJDXTNDE-SQJMNOBHSA-N 448.427 3.390 0 1 IGAF Cn1c(SCCCN2C[C@H]3CCN(c4ccc(F)cc4)[C@H]3C2)nnc1-c1cnccn1 653728093 OACVKINMDRORAI-UZLBHIALSA-N 439.564 3.104 0 1 IGAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cccc(S(=O)(=O)N3CCOCC3)c2)N1 962943439 GXHKMYBTCSWABK-MHECFPHRSA-N 439.581 3.377 0 1 IGAF CCOC(=O)c1cccc(NC(=O)N2CC[C@@H](CC(=O)N3CCC(O)CC3)[C@H](CC)C2)c1 2356865696 WDAFHNLBISNMAH-MSOLQXFVSA-N 445.560 3.117 0 1 IGAF COc1ccc(CCN2C[C@H](C(=O)N(C)Cc3ccc4nsnc4c3)CCC2=O)cc1 12744224 CTRIUKCFBAUNNE-GOSISDBHSA-N 438.553 3.140 0 3 IGAF CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CCOCC1 773179 BOJHUWFILUGBKF-JTHBVZDNSA-N 440.496 3.053 0 1 IGAF COc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)/C(=C/c2ccco2)N=C1c1ccccc1 6040759 UAUWSKGNVAADIY-ZHZULCJRSA-N 444.447 3.222 0 1 IGAF CSc1ccc(CNC(=O)Cn2ccc3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 8593733 DOIHFDLFSYKWMQ-UHFFFAOYSA-N 443.594 3.464 0 1 IGAF CCCC[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NC[C@H](O)C(=O)O)C(=O)O 13741332 MKBUPSIAEKNMBU-VSKRKVRLSA-N 441.524 3.355 0 1 IGAF COc1ccc(N)c(C(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)c1 13747177 KYWDYLWXAIMECX-UHFFFAOYSA-N 439.585 3.219 0 1 IGAF O=S1(=O)N=C(Nc2ccccc2Br)Nc2c(O)cc(Br)cc21 28822743 VNDBWCAKDZRRNY-UHFFFAOYSA-N 447.108 3.500 0 1 IGAF Cc1ccc([C@H](NC2=NS(=O)N=C2Nc2cccc(C(=O)N(C)C)c2O)C(C)(C)C)o1 29037961 HNQKLXTUDLBLDQ-AUBGMPCYSA-N 445.545 3.174 0 1 IGAF O=c1c2ccccc2cc2n1Cc1c-2nc2ccccc2c1CNCCCN1CCOCC1 40917806 NPZQNXKTKDVMJQ-UHFFFAOYSA-N 440.547 3.390 0 1 IGAF CNC(=O)C1CN(C(=O)c2cc3c(nc(C)n3C)c3c2CC[C@@H](c2ccccc2C)O3)C1 49071057 ZRKZIMDILYYGSD-NRFANRHFSA-N 432.524 3.074 0 1 IGAF Cc1cc(S(=O)(=O)C2CCCC2)cc(=O)n1[C@@H](CC1CC1)C(=O)Nc1nccs1 95604387 LANHGOMVJISQAO-KRWDZBQOSA-N 435.571 3.309 0 1 IGAF CC[C@H](CC(=O)O)n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c23)c1=O 96170055 AECRQJJIEFJLKA-CQSZACIVSA-N 438.509 3.259 0 1 IGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc5cccc(-n6nccn6)c45)C[C@H]3C2)n1 116824339 UPMHTNTVILYNTA-BGYRXZFFSA-N 439.523 3.036 0 1 IGAF NS(=O)(=O)c1c(NS(=O)(=O)CCc2ccc(Cl)c(Cl)c2)ccc2c1CCC2 148398372 UVTNMELHHFGQIB-UHFFFAOYSA-N 449.381 3.114 0 1 IGAF Cc1cnc(NC(=O)c2cc(Oc3ncc(C(=O)N(C)C)cn3)c3cc(C)oc3c2)cn1 169329203 SZXPGYUEKKKXBD-UHFFFAOYSA-N 432.440 3.376 0 1 IGAF COCCC(=O)N[C@H]1CC[C@H](CCN2CCN(c3ncc(C)c4occc34)CC2)CC1 169697057 XPRRZXPFKHAHFH-BGYRXZFFSA-N 428.577 3.360 0 1 IGAF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3nccn3C)[nH]c12 222327253 RRUZNBYNVRCUEI-UHFFFAOYSA-N 441.499 3.074 0 1 IGAF CC(C)C[C@]1(O)C[C@@H](C)[C@H]2[C@@H]1C(=O)[C@@H]1[C@H]3[C@H](CC[C@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1[C@@H](O)[C@@H]3O 255249698 NXIUUQKBFNWMSY-FMCJQRRNSA-N 448.644 3.170 0 1 IGAF CO[C@H]1/C=C/C=C/C=C/C[C@H](O)C[C@@H](O)C/C=C/C=C/C=C/C(=O)O[C@H](C[C@H](C)O)C1 255269560 SZPWNRYGTQYOLD-DSVPWWSBSA-N 432.557 3.317 0 1 IGAF CCOC(=O)c1sc2nc(Cc3nnc(S)n3-c3ccccc3)nc(O)c2c1C 299831750 RDYBKHJSWUWJMS-UHFFFAOYSA-N 427.511 3.342 0 1 IGAF O=C(NCCN1C[C@H]2C[C@H](n3c(=O)[nH]c4ccccc43)C[C@H]2C1)c1cc2cc(F)ccc2[nH]1 299839330 SHTZQICSLLBOBJ-DZFIZOCASA-N 447.514 3.263 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@H]1CCCCNC1=O 299883199 QYBBOYVJOOSRBJ-XKGZKEIXSA-N 427.526 3.024 0 1 IGAF Nc1ccc(-c2ccc3nc(CNS(=O)(=O)c4ccc(F)c(F)c4F)[nH]c3c2)cc1N 587134895 WFZXJCPLSVMMJP-UHFFFAOYSA-N 447.442 3.290 0 1 IGAF NC(=O)c1cccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c12 587140523 MEDKPHBFVZWHJV-UHFFFAOYSA-N 428.420 3.408 0 1 IGAF COC(=O)[C@@H]1[C@@H]2CC3(C[C@H]2C[C@@]12CC(=O)c1cc(C)cc(N)c1O2)OCC(C)(C)CO3 587406737 DPJKZBDJODNXKV-WPYKVILISA-N 429.513 3.270 0 1 IGAF CCc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)C(=O)N2CC(=O)O 587599055 YXQCSWRCWQHGIA-BWKNWUBXSA-N 445.427 3.243 0 1 IGAF C[C@]1(c2ccc(O)c(NS(C)(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608128 OWWRXZCDWDJWLJ-DENIHFKCSA-N 441.461 3.346 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CN)(c2ncn(Cc3ccccc3)c2N)N1 587759275 ZUPHUHBTEGPQHL-YEJXKQKISA-N 444.352 3.152 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC23CN(C(=O)OC(C)(C)C)C3)N1 587773673 KKSUCHQONWOZMO-WLRWDXFRSA-N 427.314 3.337 0 1 IGAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587933528 ZHJIXXQZORIQGV-VGOFRKELSA-N 427.526 3.038 0 1 IGAF COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1 1772646968 UYXYTYDVGOTLPN-UHFFFAOYSA-N 438.977 3.418 0 1 IGAF O[C@@](Cn1cncn1)(Cn1cnc(SCc2ccccc2)n1)c1ccc(F)cc1F 1857548277 HZDRXSABNSGBCW-FQEVSTJZSA-N 428.468 3.028 0 1 IGAF COC[C@@H]1CCCN1C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 2356286405 RAJQQJRACXRLIA-YHELAOLJSA-N 439.522 3.256 0 1 IGAF CC=Cc1oc(=O)c(COCc2c(OC)c(C=O)c(C=CC)oc2=O)c(OC)c1C=O 2356405188 JVZZGVWFZOLMKX-UHFFFAOYSA-N 430.409 3.018 0 1 IGAF CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@H]2[C@@H]3O[C@H](CC[C@@]3(C)OC(C)=O)[C@](C)(O)CC(=O)[C@H]21 2356804849 VAQGODVKRFPJFH-ROOGXKBNSA-N 438.561 3.200 0 1 IGAF N[C@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1 61897174 JDYOLVKNWUTOMH-MRXNPFEDSA-N 431.949 3.290 0 3 IGAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ncco3)ccc(F)c12 3648842 ROAPUKONHWWYSG-UHFFFAOYSA-N 446.438 3.129 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O 4204590 QYBBOYVJOOSRBJ-IMFGXOCKSA-N 427.526 3.024 0 1 IGAF CCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)c(OC)c2)C1=O 15955363 MMLKOAJNSYQTPE-NTKDMRAZSA-N 433.508 3.280 0 1 IGAF biogenic COc1ccc(CN([C@@H]2CCCCNC2=O)S(=O)(=O)c2ccc(Cl)cc2)cc1F 28957680 HHLUAUWJQNAVGJ-GOSISDBHSA-N 440.924 3.347 0 1 IGAF CC(C)(C)NC(=O)c1ccccc1CC[C@@H](O)CN1CCCC[C@H]1C(=O)NC(C)(C)C 39013200 NLIMJYNLARWQCI-CTNGQTDRSA-N 431.621 3.278 0 1 IGAF COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccc(F)cc2)[nH]n1 62224560 LFGATCGYVQHAHD-YJBOKZPZSA-N 427.476 3.386 0 1 IGAF CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC)C[C@H](C)[C@H](OC)CN(C)C2=O 95688108 AIFWRYWOLLCZOS-XGHQBKJUSA-N 447.576 3.168 0 1 IGAF COc1ccc([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC 110824949 QHNMPJQHFQIHHW-HOTGVXAUSA-N 443.506 3.081 0 1 IGAF COC(=O)[C@@H]1C[C@@]23CCCN4CC[C@@]5(c6cccc(OC)c6N(C(=O)OC)[C@@]15CC2)[C@@H]43 138899902 SBFBQBJIFGCIHE-GTPFSUDJSA-N 426.513 3.099 0 1 IGAF Cc1cn(-c2nc(Nc3ccc4c(c3)c(Cl)nn4C)ncc2F)cc1CN1CC(O)C1 169709019 TVTNEIYFFRQSMV-UHFFFAOYSA-N 441.898 3.175 0 1 IGAF C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc32)[C@@H](C(F)F)CN1 205484526 AESDLQPCNAFSDI-IIBYNOLFSA-N 428.527 3.224 0 1 IGAF COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC[C@@]23CCCC[C@H]2C3)cc1F 216256718 HQNWQPHZPXWUIX-BTYIYWSLSA-N 425.522 3.368 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nccc(OC[C@H]4CC4(F)F)n3)C2)cc1 261133975 LRQNIWJIWKUFJN-POZUXBRTSA-N 432.471 3.365 0 1 IGAF COc1ccccc1NS(=O)(=O)c1ccc2nc(CSc3cccc[n+]3[O-])[nH]c2c1 586968415 DEZXTBFLLWGYBV-UHFFFAOYSA-N 442.522 3.298 0 1 IGAF CCOC(=O)CNc1ccc(-c2nc3cc(S(=O)(=O)N(CC)CC)ccc3[nH]2)cc1 587226173 WEDMFLMWGXMNAM-UHFFFAOYSA-N 430.530 3.235 0 1 IGAF CSc1ncc([C@@]2(C)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c(C)n1 963133740 CCWRUOSMSHNPGD-YJYMSZOUSA-N 436.559 3.473 0 1 IGAF CCONCc1ccc(OCC[C@@H](C)CCN2CCN(c3cc[nH]c(=N)c3)C2=O)cc1 1857570595 ALVBWJRLQRZXRD-SFHVURJKSA-N 427.549 3.273 0 1 IGAF COC(=O)N1CCCN(c2nc(N=c3cc(C4CC4)[nH][nH]3)c3cc(Cl)ccc3n2)CC1 1857635885 UDLCMXSACDNFIW-UHFFFAOYSA-N 441.923 3.328 0 1 IGAF CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@@]34O)[C@@]2(C)C[C@@H]1O 2356695139 VGRYHTNZVZAKPS-JRRWWIHYSA-N 432.557 3.146 0 1 IGAF CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)cc1 4038884 PTTNMTOOHSWBQN-OZWPHOJSSA-N 438.572 3.309 0 1 IGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NC[C@H](O)CC)cc1 4151947 BWAXZGFVLOSSBB-FHZYATBESA-N 426.513 3.463 0 1 IGAF CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2ccc(F)c(F)c2)CCO1 27706220 RGVOBYIBFIHUJF-AWEZNQCLSA-N 439.890 3.230 0 1 IGAF NCCc1nc2cc(S(=O)(=O)NCc3ccc(F)cc3)ccc2n1Cc1ccccc1 28353025 LRAJHSGWEBRKIH-UHFFFAOYSA-N 438.528 3.203 0 1 IGAF CN([C@@H]1CCc2c(CC(=O)O)c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1 66111566 OTGREDPOEXITQK-CQSZACIVSA-N 434.464 3.182 0 1 IGAF Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C(=O)N[C@@H]2CCCC[C@@H]2C)c1 82145353 XYEHKCYIVGPPLP-FBBABVLZSA-N 435.572 3.462 0 1 IGAF C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(OC(F)(F)F)cc3)c3c(N)ncnc32)C1 95573395 ZMBSAKQLOAAWCL-CYBMUJFWSA-N 432.406 3.324 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccccc2F)C1 95793753 QQNIVVJYYJMMQU-QFIPXVFZSA-N 449.526 3.468 0 1 IGAF Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(-n6ccnc6)nc5)n4)CCC3)cn2)cn1 96175435 XLMCTBNNRJPVNC-UHFFFAOYSA-N 437.467 3.222 0 1 IGAF Cc1cc(CN2CCN(C)CC2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O 169711375 PFFCRFYDRWNABT-UHFFFAOYSA-N 445.563 3.366 0 1 IGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(O)nc(S)nc3[nH]2)C[C@H]2CCCC[C@H]21 586959412 KMGWTHONUAERGA-BNOWGMLFSA-N 431.543 3.042 0 1 IGAF COc1cc(Br)cc(C=O)c1OCc1nc2c(S)nc(S)nc2[nH]1 586979767 AMAHHFHNTFXABY-UHFFFAOYSA-N 427.305 3.093 0 1 IGAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(C[C@@H](N)C(=O)O)cc1)[C@@H](C2)C3=O 587434075 QSKLSJRCBXKUHV-LZCXECNNSA-N 429.472 3.341 0 1 IGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 587486377 XKSSOAGDUCOMBO-XJJKVWHCSA-N 434.485 3.077 0 1 IGAF CS(=O)(=O)C[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573052 VFTPCKRPKLULOB-DENIHFKCSA-N 428.437 3.433 0 1 IGAF CCc1c(CC(N)=O)c2c(OCCCP(=O)(O)O)cccc2n1Cc1ccccc1 653716243 DJGQZWPIFMVGAP-UHFFFAOYSA-N 430.441 3.226 0 1 IGAF CCOC(=O)[C@]1(c2cccc(OC)c2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962715820 PMTFFNMGTGUXGH-FXAWDEMLSA-N 441.377 3.259 0 1 IGAF COc1ccc(I)cc1[C@@H]1NC[C@@H]2CC(=O)N(C)c3cccc1c32 963036699 UWMVYLSLVCBLFQ-JEOXALJRSA-N 434.277 3.443 0 1 IGAF COc1ccc([C@H]2[C@H](c3ccccc3)C(=O)N2c2ccc(S(N)(=O)=O)cc2)c(OC)c1 1772579055 USTUXJJHLUYACA-VXKWHMMOSA-N 438.505 3.223 0 1 IGAF CC(=O)N1CCN(c2cccc(-c3cc(-c4ccnn4C(C)C)c4c(N)ncnn34)c2)CC1 1772617351 LMWQGAWUYLMAEO-UHFFFAOYSA-N 444.543 3.091 0 1 IGAF O=c1nc(O)ccn1[C@H]1CC[C@@H](CO[P@](=O)(Nc2cccnc2)Oc2ccccc2)O1 1857618448 GXIRPODFWOBRDX-VRKJNYRMSA-N 444.384 3.337 0 1 IGAF Cc1cn(C/C=C/C[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)Oc2ccccc2)c(=O)nc1O 1857640623 NSCAZCFSNHTQOX-LBHJWYSBSA-N 449.444 3.015 0 1 IGAF Clc1ccc(CN2CCC[C@@H]2c2nc(C3=CN[C](N4CCOCC4)C=C3)no2)cc1 2356872403 UKYPVKGBOLTUTO-LJQANCHMSA-N 426.928 3.382 0 1 IGAF Cn1cnc(S(=O)(=O)N2CCCC[C@H]2c2cc(C(=O)Nc3ccccc3Cl)no2)c1 61903688 MAVPYSLAJCHMPY-INIZCTEOSA-N 449.920 3.230 0 3 IGAF CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@@H](O)CC)cc1 4039077 IYROSSQKHJXFCZ-RRPUWOKSSA-N 425.529 3.130 0 1 IGAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2Cc1cc(=O)n2cc(Cl)ccc2n1 9724813 LSXPPEVLIYUZPC-UHFFFAOYSA-N 431.883 3.420 0 1 IGAF O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)[C@@H]2C1)c1cccc(F)c1 12604785 KTMUVWOYNOWZBL-PXNSSMCTSA-N 433.439 3.441 0 1 IGAF biogenic COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc(OC(F)(F)F)cc2)c1=O 25429848 CTGNGNJAGTYAOV-ZBFHGGJFSA-N 436.430 3.396 0 1 IGAF biogenic O=C(NC(=O)c1ccccc1)NC1CCN(C[C@H](O)COc2cccc3ccccc23)CC1 27984778 LNMPKBHKNNBCSM-QFIPXVFZSA-N 447.535 3.184 0 1 IGAF CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](C(=O)NC3CCCCCC3)C(C)C)ccc21 33834491 POVXHFKAGPKPQM-QFIPXVFZSA-N 449.617 3.128 0 1 IGAF O=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCN1CCOCC1 40422264 BCPILSQMLBGEMM-UHFFFAOYSA-N 441.487 3.383 0 1 IGAF CCNC[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC(=O)[C@H]1CO[C@H](c3ccoc3)C[C@@]21C 40763175 OAHYMFUZPDTHKL-RJVOEZDCSA-N 431.529 3.089 0 1 IGAF O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 49067932 UWDDTABHGITVJO-UHFFFAOYSA-N 429.420 3.370 0 1 IGAF in-vivo CN(C)CC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5o4)c3)cn2)CC1 53243497 DMBIOPIPQMZIKE-UHFFFAOYSA-N 445.527 3.061 0 1 IGAF COCC[C@H](Oc1ncnc2c1cnn2-c1ccccc1C)C(=O)Nc1ccc(C)cn1 68198681 LYWQXVOFIHTNBN-IBGZPJMESA-N 432.484 3.250 0 1 IGAF CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cncn3C)n(Cc3cccc4ccccc34)nc21 84703921 QJBUEINIMXZUED-UHFFFAOYSA-N 442.523 3.155 0 1 IGAF in-vitro O=C(Nc1ccccc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO 95866706 VXOIHSRQZAPVKT-UCNVEGJOSA-N 439.491 3.205 0 1 IGAF NC(CO)(CO)CN1CCc2c(OCc3cc4c(Cl)cc(Cl)cc4o3)cccc21 114101422 OOLOVCZLBKLKNS-UHFFFAOYSA-N 437.323 3.363 0 1 IGAF CS(=O)(=O)c1ccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CCNCC2)cc1 118257632 OBAXAGJRJNTELH-PMACEKPBSA-N 441.380 3.347 0 1 IGAF Cc1nn(-c2cnc(OCC3(C)CC3)c(Cl)c2)c2ccc(C(=O)NS(C)(=O)=O)cc12 167373179 KNSUZJPYWJFPKZ-UHFFFAOYSA-N 448.932 3.251 0 1 IGAF CN1CCN(c2nccn3c(-c4ccnc(NCc5ccccc5Cl)n4)cnc23)CC1 169701242 KZZPCTZYYFUTPP-UHFFFAOYSA-N 434.935 3.204 0 1 IGAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cc(C)cc(C)c3[nH]2)cc1 586940158 LOKNWDMNYCVQJJ-IBGZPJMESA-N 426.542 3.130 0 1 IGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 587202536 JEDGXCUJGMHERJ-CYBMUJFWSA-N 434.246 3.473 0 1 IGAF Cn1ncc(Br)c1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587657208 QRHJVEXRHQWYBT-UHFFFAOYSA-N 427.233 3.387 0 1 IGAF Cc1cc(C)c(OCCN[C@@H](C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(C)c1 653833217 GEJDAWYRSPAFCX-FQEVSTJZSA-N 439.600 3.055 0 1 IGAF CS(=O)(=O)N1Cc2ccccc2[C@]2(C1)c1ccsc1CCN2Cc1cccnc1 962998316 VAWURIQYDYGIOM-JOCHJYFZSA-N 425.579 3.220 0 1 IGAF O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)c1ccccc1Cl 198623088 FHPPUYIDUTZGJI-LEWJYISDSA-N 439.943 3.252 0 3 IGAF CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@H]1CCCCCCCCCCNC1=O)P(=O)(O)O 13890300 JANOCMLVAXHACE-GBESFXJTSA-N 447.557 3.030 0 1 IGAF COC(=O)c1c(-c2ccc(F)cc2)c(-c2ccncc2)c(NCCN2CCOCC2)n1C 28604102 DVKYDJLLFOSBNV-UHFFFAOYSA-N 438.503 3.424 0 1 IGAF O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)C1CCCCC1 38152854 DKBGRCOZDURJQJ-NRFANRHFSA-N 448.585 3.039 0 1 IGAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)OC2 96937309 LSJYQLWMSSUPMX-SDTVSMOJSA-N 433.501 3.264 0 1 IGAF O=C(O)c1c(=O)c2cc(F)c(N3C[C@@H]4CCCN[C@@H]4C3)c3c2n2c(csc12)CS3 100037949 BHZSSYKATBTKQN-TVQRCGJNSA-N 431.514 3.145 0 1 IGAF CSc1ncc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccnc2)n1Nc1ccccc1 103171318 QGDKBTRZPDDIEZ-GOSISDBHSA-N 435.513 3.142 0 1 IGAF Cc1cc(Br)cnc1C(=O)Nc1ccc(F)c([C@]2(CF)COCC(N)=N2)c1 113657383 AMOKELNCOZWYQG-SFHVURJKSA-N 439.260 3.096 0 1 IGAF Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCNC2)c1O 115473920 FCPRZCUSHXUJGN-NSHDSACASA-N 427.885 3.273 0 1 IGAF NC(=O)C[C@H](Nc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1)C(N)=O 115759723 VTHMFUXKHKCABU-FQEVSTJZSA-N 445.454 3.369 0 1 IGAF CC(C)(O)Cn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1 143694237 DQZAEYUQSKTFAR-DEOSSOPVSA-N 445.527 3.459 0 1 IGAF CC(=O)N[C@H](C(=O)NCc1nnc(C)o1)c1nc2ccc(-c3ccc(F)cc3)cc2s1 144215119 BTDTVOWJKHHWOU-LJQANCHMSA-N 439.472 3.287 0 1 IGAF O=C(NC1CCOCC1)C1CCN(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 167579859 MWZXUWTXHQWEQS-UHFFFAOYSA-N 449.555 3.141 0 1 IGAF O[C@H]1CCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)C1 205242950 SNWCKNPCXZGTJB-ZDUSSCGKSA-N 437.301 3.415 0 1 IGAF CC(=O)Oc1cc(OC(C)=O)c2c(c1Cl)CC(=O)C=CC=C[C@H]1O[C@@H]1C[C@@H](C)OC2=O 253851025 IKKGJIXZKBEWBG-SSKCKEOISA-N 448.855 3.131 0 1 IGAF CCCCCNC(=O)[C@H](CC(C)C)N[P@](=O)(O)CNC(=O)OCc1ccccc1 299844551 FGVAYUYGPYTISL-SFHVURJKSA-N 427.482 3.366 0 1 IGAF COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1cc(-c2c[nH]c3cnccc23)ncn1 299862972 OEMURATYWKELKJ-UHFFFAOYSA-N 443.511 3.441 0 1 IGAF CN(C)S(=O)(=O)c1cccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587167406 MFVCQLFNHKLDBQ-MRXNPFEDSA-N 431.493 3.321 0 1 IGAF CNC(=O)c1c(C)[nH]c(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1C 587658009 HURLZFGTPWNCFL-UHFFFAOYSA-N 436.418 3.335 0 1 IGAF CCOC(=O)C(=O)NC[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587755839 PPJUKQGKHAHYLO-YEJXKQKISA-N 449.320 3.045 0 1 IGAF COc1ccc([C@]2(CCCCC(=O)O)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(OC)c1 963465354 CAOVXQZRUMIYQU-CYFREDJKSA-N 443.496 3.205 0 1 IGAF COc1cc2c(cc1OC)C(=O)[C@@H](Cc1cc[n+](Cc3ccccc3C)cc1C(N)=O)C2 1772575673 OOYNHOMEWFKIFQ-FQEVSTJZSA-O 431.512 3.045 0 1 IGAF CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1cccc(OS(N)(=O)=O)c1 1857552102 DHDFHJSTIPECRH-KRWDZBQOSA-N 428.297 3.273 0 1 IGAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CNC(=O)COCC(=O)O)C=C3C)[nH]c2c1 2356519129 OGMLPJGOLSEZLD-JENIJYKNSA-N 443.544 3.186 0 1 IGAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4310610 HWIQHEBIQPUVAD-JJEOQYAHSA-N 445.560 3.455 0 1 IGAF COC(=O)[C@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](c3ccoc3)C[C@@]12C 14951918 OBSYBRPAKCASQB-NAZRVOFUSA-N 432.469 3.000 0 1 IGAF CCCCNC(=O)[C@H](C)NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12 15969969 DNQUTTHKHKFATN-PNDGYVOYSA-N 444.535 3.059 0 1 IGAF biogenic O=C(Nc1ccc(Cl)cc1)NC1CCN(C[C@@H](O)[C@@H]2COc3ccccc3O2)CC1 27994547 OJYCIFGXJFLJFX-NQIIRXRSSA-N 431.920 3.127 0 1 IGAF COC1CCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)n2)CC1 40567281 HHMZQGOPOAEEIQ-UHFFFAOYSA-N 433.508 3.452 0 1 IGAF CCN(CC)c1ccc(C2=NN(C(=O)CO)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1 64361626 WJZOODGPEUXWRA-HXUWFJFHSA-N 441.528 3.229 0 1 IGAF O=C1C(Cl)=C(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1c1ccnc(Cl)c1 64637546 BOHVBYYVMCGQEI-QPJJXVBHSA-N 443.334 3.390 0 1 IGAF O=c1c2ccccc2nc(CN2CCNCC2)n1-c1ccccc1OCc1ccccc1 72123180 NNFABBAAEQFFAN-UHFFFAOYSA-N 426.520 3.370 0 1 IGAF CS(=O)(=O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cc1 96175410 IJAIQCOUOQTUTP-UHFFFAOYSA-N 448.508 3.044 0 1 IGAF Cc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cn3)c(Cl)c(N3CCOCC3)n2)n[nH]1 96269737 CAVXKRYGYMMNGC-LBPRGKRZSA-N 432.891 3.449 0 1 IGAF CC(C)(C)CCCOc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O 142913099 BUJAVCYRADIVPH-IBGZPJMESA-N 428.529 3.466 0 1 IGAF CN(C)C(=O)COc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144857788 STAQHHLWSTZMKN-OAQYLSRUSA-N 431.414 3.333 0 1 IGAF COc1c(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)ccnc1OCC(C)(C)O 169709386 UDDNMGHKYUSDDC-OXJNMPFZSA-N 443.544 3.095 0 1 IGAF COc1ccc([C@H](CCO)Nc2ccc(C(=O)NCc3cc(F)cc(F)c3)nn2)cc1 207417428 JKDJARSKMBHDFS-IBGZPJMESA-N 428.439 3.229 0 1 IGAF O=C(COc1ccc2c(c1)CCn1c-2cc(OC[C@H]2CCCO2)nc1=O)Nc1ccccc1 209704520 QFECBMLNQAKDHJ-HXUWFJFHSA-N 447.491 3.042 0 1 IGAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H](O)[C@](CO)(CCCc2ccccc2)C[C@@H]3[C@H]1C5 253633421 MMXFDJAANNJTRD-FAIIWMRCSA-N 435.564 3.034 0 1 IGAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc(F)cc1 299880792 MVXSWTPDJDNECG-WRWLIDTKSA-N 439.535 3.293 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)[C@H](C)CC 299883009 QQQQLTKCRKONKD-WGPZUGPJSA-N 430.589 3.095 0 1 IGAF CCOP(=O)(OCC)[C@@H]1C[C@@H](CN2C(=O)c3cccc4cc(N)cc(c34)C2=O)ON1C 473135439 PKMGLHDTGOTPMT-MAUKXSAKSA-N 447.428 3.246 0 1 IGAF CNS(=O)(=O)c1ccc(CCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 586946352 KUBANAFHEYCXGF-UHFFFAOYSA-N 429.727 3.067 0 1 IGAF CN(Cc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169367 CBDWAFJSGCAOTE-UHFFFAOYSA-N 425.489 3.354 0 1 IGAF O=C(O)CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc21 587570798 LSZKZDFZRCFHET-YKSBVNFPSA-N 449.390 3.210 0 1 IGAF COC1=CC=C2C[C@H]3N(C(=O)C4CC4)CC[C@]45[C@H]2[C@@H]1O[C@H]4c1[nH]c2ccccc2c1C[C@@]35O 1911576987 OJUMJLFYDFEYFQ-CRASWEFWSA-N 444.531 3.383 0 1 IGAF C[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2356568480 MCCLMFWJRSSHHP-COLOXBMXSA-N 444.535 3.339 0 1 IGAF C[C@@H](NC(=O)c1[nH]cnc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 36388099 NIADWPCRWUFGGP-OAHLLOKOSA-N 441.532 3.030 0 3 IGAF COc1ccc(Cn2cc(CN3CCc4onc(-c5ccccc5OC)c4C3=O)nn2)cc1 95568615 UHQOPSFHTLQABS-UHFFFAOYSA-N 445.479 3.197 0 3 IGAF COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N(C)C[C@H]1COc2ccccc2O1 9269300 PHNKEOPYCGUQPU-KRWDZBQOSA-N 444.509 3.428 0 1 IGAF CCCCn1c(Cc2cc(OC)ccc2I)nc2c(N)ncnc21 13679901 CSSBEHMUMWBFOC-UHFFFAOYSA-N 437.285 3.413 0 1 IGAF Cc1c(CN2CCOCC2)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12 28822538 WKWVUXVUFMTTMJ-UHFFFAOYSA-N 445.972 3.324 0 1 IGAF CCCN(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C 95708252 OAEFJTIHAXTXFK-SELNLUPBSA-N 446.613 3.464 0 1 IGAF O=C1[C@@H]2[C@H](C(=O)N1c1ncccn1)[C@@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 101977880 KUSNEWYFQKHIMI-OXTFCRADSA-N 447.920 3.428 0 1 IGAF Cc1noc(-c2ccccc2C(=O)N2C[C@@H]3CN(c4nc(C)c(Cl)c(C)n4)C[C@H]3C2)n1 116822261 ZRIOTSIYIHKQDH-HZPDHXFCSA-N 438.919 3.314 0 1 IGAF Cc1nnc(CN(C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C(C)(C)C)o1 146700211 ACEILWZOWWUYEY-UHFFFAOYSA-N 435.475 3.458 0 1 IGAF CCN(CC)C(=O)CNC(=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 169321696 BSJSJGWDVZKDCR-DVKJZYHXSA-N 445.648 3.451 0 1 IGAF O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2c1ccc2nccnc2c1 220258346 UAPQRAFEOQMNLO-UHFFFAOYSA-N 425.495 3.418 0 1 IGAF C[C@@H](Sc1nc(N)cc(O)n1)c1nc2c(I)cnc(Cl)c2[nH]1 586963290 ZIKOXPKNMXZPPD-SCSAIBSYSA-N 448.677 3.147 0 1 IGAF Cc1c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc2cc(C(=O)O)nn12 587793748 KPPIUHKLOKORRN-ZRNGKTOUSA-N 433.281 3.435 0 1 IGAF COc1ccc(-c2cc(N3CCN(C)CC3)nc3c2ccn3S(=O)(=O)CC(C)C)cc1 653854476 OGYHYPVUHUXITF-UHFFFAOYSA-N 442.585 3.298 0 1 IGAF CCCN[C@@H]1Cc2cccc3c2n(c(=O)n3CCCCNC(=O)c2cc3ccccc3[nH]2)C1 1772600314 YDESBRPNQFQEGA-HXUWFJFHSA-N 445.567 3.419 0 1 IGAF COc1cc(CN(C)[C@H](C)c2ccc3c(c2)CCO3)ccc1NCCN1C(=O)CCC1=O 1772616392 UXCISJZDHNZUEN-QGZVFWFLSA-N 437.540 3.384 0 1 IGAF CNS(=O)(=O)Nc1nnc2cc(OCC34CC5CC(CC(C5)C3)C4)c(C3CC3)cn12 1857656937 ROVSAJMSDNDAPG-UHFFFAOYSA-N 431.562 3.078 0 1 IGAF Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CC5(COC5)C4)nc4c3ccn4C)cc2)n1 1857768238 ZKZTUHIYKGGHNG-UHFFFAOYSA-N 441.535 3.473 0 1 IGAF CN(C)C(=O)Oc1cccc([C@@H](O)CNc2ccc(I)cc2)c1 1911577847 DUQTVNWXXRLIQS-INIZCTEOSA-N 426.254 3.497 0 1 IGAF CC1(C)C=Cc2c(ccc3c2N(O)[C@@H]2C3=C[C@@]34NC(=O)[C@@]5(CCCN5C3=O)C[C@@H]4C2(C)C)O1 2356852848 QUBIKEGTSZLTCD-XNBKKKCTSA-N 447.535 3.122 0 1 IGAF Cc1ccc(Cn2c(SCC(=O)NC[C@H]3CCCO3)nc3ccsc3c2=O)cc1 2908630 ACGSDORDPFKNJN-MRXNPFEDSA-N 429.567 3.202 0 3 IGAF Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O 13561154 YBHBUGPAORYSHF-KGGRTRCXSA-N 448.412 3.330 0 1 IGAF C[C@@]12O[C@@H](C[C@@H](O)[C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 13892500 ANDHYTBFACIPGQ-SAHVADQDSA-N 439.471 3.473 0 1 IGAF biogenic Cc1cc(S(C)(=O)=O)ccc1OC[C@H](O)CNC(C)(C)Cc1c[nH]c2ccccc12 26730637 QFBVBGDWSKMBAC-GOSISDBHSA-N 430.570 3.230 0 1 IGAF Cn1c(COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc2cc(Br)cnc21 26819659 WJZRMYZKBUVZEH-AWEZNQCLSA-N 447.314 3.204 0 1 IGAF NC[C@@]1(c2ccccc2)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 27896643 NWEUYWJKWUJMKG-DEOSSOPVSA-N 439.462 3.420 0 1 IGAF CCOc1cc(N(C)C)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 29210613 CRZLISBEGWWGET-GOSISDBHSA-N 431.964 3.436 0 1 IGAF O=C(c1cc(Cc2c[nH]c(=O)c3c(Cl)c(Cl)cn23)ccc1F)N1CCCNCC1 45367806 TYEHQEPKWMCWLN-UHFFFAOYSA-N 437.302 3.100 0 1 IGAF COc1cccc(CNC(=O)CN(C)C(=O)c2csc(-c3ccccc3)n2)c1OC 82073660 NRIOQFYRIRGEGI-UHFFFAOYSA-N 425.510 3.216 0 1 IGAF CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl)C(=O)N1CCOCC1 103623143 QKLLBNGTLQVKOR-HNNXBMFYSA-N 446.964 3.041 0 1 IGAF Cc1cc2c3c([nH]c2cc1Cl)C(C)(C)c1cc(OC[C@@H](O)[C@H](O)CO)ccc1C3=O 114801121 PUAVYRMIRKEKNE-RTBURBONSA-N 429.900 3.093 0 1 IGAF Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2[C@H]1CC[C@H](OCCO)CC1 116022478 OHDMKRUUAMWKJE-KDURUIRLSA-N 445.523 3.390 0 1 IGAF COCCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCCOC)[C@@H]1/C=C/c1ccccc1OC 138235040 HYMYCQDHJAFMQD-PSVQYUNKSA-N 445.512 3.069 0 1 IGAF CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1 169720541 DVDWCCPTANZWGZ-SJBKTWHCSA-N 435.549 3.464 0 1 IGAF Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)N(CCN)Cc2ccc(Cl)cc2)c1 205404615 PVHLWFONRVJDKW-XMMPIXPASA-N 427.976 3.478 0 1 IGAF Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C(F)F)c(N3CCC[C@H](N)C3)n2)n1 211010599 AFPFWSQRRIQPHP-HNNXBMFYSA-N 436.470 3.446 0 1 IGAF OC12C[C@H]3C[C@@H](C1)CC(Nc1nc(N[C@H]4CC[C@H](O)CC4)ncc1Br)(C3)C2 253664491 FGYLHONNVFJRIG-XFEAJZGZSA-N 437.382 3.450 0 1 IGAF COC(=O)c1cc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2cn1 587005984 CXJJEUPCWBCCQF-UHFFFAOYSA-N 439.269 3.384 0 1 IGAF Cn1cnc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570644 OVLMETSOQMHHNE-SUMWQHHRSA-N 448.216 3.433 0 1 IGAF CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800268 WLNBJRDMEWGDBJ-MJCKAROISA-N 430.314 3.470 0 1 IGAF CN(C)CCNC(=O)c1ccc(-c2cn3c(-c4ccc(N(C)C)cc4)cnc3cn2)cc1 653663053 HRGCXYBUUVLKNE-UHFFFAOYSA-N 428.540 3.421 0 1 IGAF O=Cc1ccc(Cc2ccc([C@H]3c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N34)[nH]2)[nH]1 962640341 ODRJKQFXHALKIU-RDGATRHJSA-N 428.492 3.482 0 1 IGAF CC(C)CS(=O)(=O)NCc1cccc(-c2ccc3c(=NC(=O)C4CC4)[nH][nH]c3c2)c1 1857581685 IIKPYJZUOZRTIB-UHFFFAOYSA-N 426.542 3.076 0 1 IGAF FC1(F)CC[C@H](N=c2nc(-c3cncc(Cl)n3)[nH]c(=N[C@H]3CCC(F)(F)C3)[nH]2)C1 1857648191 RZIGAQYBYPZUMX-UWVGGRQHSA-N 431.825 3.025 0 1 IGAF CC(=O)O[C@H]1[C@@H]2[C@@]3(C)CCC[C@]2([C@H]2CC4CCC2(CC4)[C@H]1OC(C)=O)[C@H]1OCCN1C3=O 2356433316 GZHPXFIYJDGMKK-AGJFOXBFSA-N 445.556 3.051 0 1 IGAF CCOC(=O)C1=CCN(S(=O)(=O)c2ccccc2C(=O)OC)[C@@H]1c1ccc(Cl)cc1 95569423 SWZDMDKPESMVOT-LJQANCHMSA-N 449.912 3.362 0 3 IGAF CCN(C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC)c1ccccc1 5840016 KDYPQVKSSPYDSD-VXKWHMMOSA-N 438.572 3.111 0 1 IGAF CCCCc1ccc(CNc2nc(N(CCO)CCO)nc3c2ncn3C(C)C)cc1 26641007 MBGOSGHMYMSSRG-UHFFFAOYSA-N 426.565 3.153 0 1 IGAF Nc1nc2c(cnn2CCN2CCc3ccc(Cl)cc3CC2)c2nc(-c3ccco3)nn12 38389724 SVZWIANPQODYPS-UHFFFAOYSA-N 448.918 3.070 0 1 IGAF Cc1cc(Nc2nc(N3CCN(C(=O)c4ccccc4Cl)CC3)nn3cccc23)n[nH]1 66073710 GSWUREBNRYSHSL-UHFFFAOYSA-N 436.907 3.120 0 1 IGAF CCOC(=O)c1cn(C2CC2)c2cc(N3CCC4=C(C3)[C@H](O)CCS4)c(N)cc2c1=O 66111720 ZVFXXWXJTMADKR-HXUWFJFHSA-N 441.553 3.057 0 1 IGAF O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 95795739 WKRXUPRECLBEMI-SONWIMMPSA-N 448.469 3.443 0 1 IGAF O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 95797870 HSPSDHYHFXIRHB-SLGLPASVSA-N 445.563 3.480 0 1 IGAF CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@H]2[C@@H](CO)O1 95900149 QBSUFJTZYVNGJZ-VARILPKDSA-N 439.512 3.241 0 1 IGAF C[C@@H](O)CCc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1 96175448 DNJUEHXTLOEBFY-OAHLLOKOSA-N 443.511 3.349 0 1 IGAF COC[C@H](C)Oc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)s1 103246828 NOPQNRGOWFWXMS-PILOHPLSSA-N 436.574 3.078 0 1 IGAF O=C(CCCCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc2ncccc2c1)NO 200412943 ZQXBAARKUQXQTK-OAQYLSRUSA-N 434.496 3.428 0 1 IGAF CC[C@H](NCc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)c1ccc2c(c1)CCO2 224847527 DOAICGPGPKWYQY-FQEVSTJZSA-N 438.524 3.399 0 1 IGAF CCN1C(=S)N2CCC[C@H]2c2c(N3CCOCC3)nc(-c3cccc(OC)c3)nc21 473089921 MWZSOMRZIRETSP-KRWDZBQOSA-N 425.558 3.251 0 1 IGAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587002257 YBPLALWHQIUOBA-LBPRGKRZSA-N 426.274 3.380 0 1 IGAF Cc1csc([C@@](O)(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)C(F)(F)F)n1 587093913 HYIBUZNIJJGFOF-SFHVURJKSA-N 426.464 3.153 0 1 IGAF Cc1ccc2nc(N3CCOCC3)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)n2c1 587522317 DVKQSOHLJOLLOW-NRFANRHFSA-N 445.519 3.425 0 1 IGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 587867099 VKMJBRQCWOPXNO-CQSZACIVSA-N 445.463 3.279 0 1 IGAF CCOC(=O)[C@@]1(c2ccc(OC)cc2OC)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962625534 JEUIUPYMGZZWQR-OYLFLEFRSA-N 429.513 3.404 0 1 IGAF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@H](c1cc[n+]([O-])cc1)N2C(=O)OC(C)(C)C 962717727 RVFIEEYUXRVAFY-AUSIDOKSSA-N 428.460 3.200 0 1 IGAF COc1ccc([C@@]2(CCCCC(=O)O)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c(OC)c1 963465355 CAOVXQZRUMIYQU-YADARESESA-N 443.496 3.205 0 1 IGAF COC[C@@H](NC(=O)N1CC(=O)Nc2cc(Cl)cnc21)c1ccc(OC(F)(F)F)cc1 1772615737 VKTADONLSLLGMS-CQSZACIVSA-N 444.797 3.489 0 1 IGAF O=C(NC[C@@H]1CCCO1)C1=C(Cl)C2=N[C@H](c3ccc(F)cc3)C[C@H](C(F)(F)F)N2N1 104010572 YADWOZJNAVULSE-MELADBBJSA-N 446.832 3.166 0 3 IGAF C[C@@H]1CCN2C[C@@]34C[C@]5(C(=O)Nc6c5ccc5c6C=CC(C)(C)O5)C(C)(C)[C@H]3C[C@@]12C(=O)N4 3786149 PFLGUWRTTGBMJK-UYSQVVHWSA-N 447.579 3.460 0 1 IGAF biogenic N=C(N)c1cccc(Cn2c(C(=O)NCc3cccc(C(=O)O)c3)cc3c(O)cccc32)c1 8552715 OKLNPTWIQIJRDB-UHFFFAOYSA-N 442.475 3.307 0 1 IGAF COc1cc(-c2oc3c(OC)c(OC)c(OC)c(OC)c3c(=O)c2OC)cc(O)c1OC 14616669 VWAORUMUPBQCHI-UHFFFAOYSA-N 448.424 3.226 0 1 IGAF biogenic Cc1ccc(S(=O)(=O)N2CCN(c3nc(-c4ncco4)nc4ccccc34)CC2)cc1 36382621 CVRORGFSKCPVBB-UHFFFAOYSA-N 435.509 3.104 0 1 IGAF CCCCOCCOC(=O)[C@@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82083864 CCAKAEBEIKPDJT-CQSZACIVSA-N 436.530 3.306 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(C)C[C@@H]1C 95688535 BBNOXYVHIXNILT-IXFSTUDKSA-N 439.556 3.375 0 1 IGAF CCC[C@H](C(=O)O)n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c23)c1=O 96170048 ZBIUWIWTJRDATO-QGZVFWFLSA-N 438.509 3.259 0 1 IGAF CCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c(Cl)c1 96274117 XHOOZNDNKCPJEE-HNNXBMFYSA-N 442.947 3.131 0 1 IGAF C=CC(=O)Nc1ccc(-n2c(=O)c(C)nc3cnc(Nc4ccc(OC)cc4)nc32)cc1 96933675 WZUJQAJDFCNKQS-UHFFFAOYSA-N 428.452 3.361 0 1 IGAF COc1cc(N)c(Cl)cc1C(=O)NC1C[C@@H]2CN(Cc3ccccc3)C[C@@H](C1)N2C 100823486 SPDXQDFDPSVUIM-QZTJIDSGSA-N 428.964 3.008 0 1 IGAF O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccnc2n1CC1CCCCC1 101033576 WASBBQFUTSDHTP-UHFFFAOYSA-N 438.509 3.243 0 1 IGAF COC(=O)C1(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CC1 118402851 DKLIDNPRFMGYLW-QGZVFWFLSA-N 441.438 3.241 0 1 IGAF c1ccc(C2=NN(c3ccccc3)[C@H](Cn3cnc4c(N5CCOCC5)ncnc43)C2)cc1 220919784 WTQNSSRGRCTHQZ-NRFANRHFSA-N 439.523 3.346 0 1 IGAF CO[C@H]1CC[C@H](NC(=O)[C@@]2(C)CCCN2S(=O)(=O)c2cccc(Cl)c2C)CC1 254093587 AGHVSBKXEAJGDV-JXXFODFXSA-N 428.982 3.265 0 1 IGAF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)NC[C@@H](O)CC 299885695 VVSQMMMBWHPYBY-QTJFZDIUSA-N 435.477 3.225 0 1 IGAF CCOC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2c1 586945837 MIKOBZHCYDIDRY-MRXNPFEDSA-N 443.525 3.172 0 1 IGAF COC(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1OC 587019599 PBODAKIQAUTREW-UHFFFAOYSA-N 438.465 3.363 0 1 IGAF COC(=O)CC[C@H](C(=O)OC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346047 ARYSAECNXGYMGE-MONBJTKQSA-N 430.428 3.391 0 1 IGAF COc1cc2c3c(c1)O[C@@H](c1cc(Br)c(OCC(=O)O)c(OC)c1)[C@@H](C2)C3=O 587415028 ZLJSMCIECIPONR-BUXKBTBVSA-N 449.253 3.418 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3nnnn3C)c2)N1 587760996 RXQUUNKFRLEUPX-NSPYISDASA-N 432.297 3.314 0 1 IGAF CC(=O)C[C@]1(c2ccc3c(c2)OCCO3)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962671526 RTNSJRWAXNDPCP-IZZNHLLZSA-N 446.503 3.327 0 1 IGAF COC(=O)NCCNc1cn2cc(-c3cc(Cl)c(OC)cc3OC)nc2cc1OC 1857591995 RNTLPVRGCODHNU-UHFFFAOYSA-N 434.880 3.448 0 1 IGAF Cn1cnc(S(=O)(=O)N2C[C@H](Nc3cccc(Cl)c3)[C@H](c3ccccc3F)C2)c1 1857744848 QRJOWYRVEKGFJV-HKUYNNGSSA-N 434.924 3.481 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@H]2[C@H](OC(=O)C(C)=CC)C=C(C)[C@@H]2[C@H]2OC(=O)C(C)=C12 2356405821 FORCJYCNRCOGKD-USFZWXRKSA-N 444.524 3.331 0 1 IGAF CC(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@H](C)[C@]23Cc2c(O)cc4c(c2O3)CNC4=O)C1(C)C 2356719857 JOLITHWHEFIGDT-GHYAJMHWSA-N 443.540 3.084 0 1 IGAF Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 2356763838 UVHIUENISJGPMN-QRVLJTFESA-N 434.588 3.095 0 1 IGAF Cn1cccc1CN[C@@H]1CC(C)(C)[C@@H]2C[C@](C)(O)CC[C@@]21CCC(=O)N1CCOCC1 2356846689 OPQDKXVMUPOQKB-JMLJLYKJSA-N 431.621 3.090 0 1 IGAF Cc1ccc2cc(CN(CCN3CCOCC3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C 32303493 GMSVFFLMMJRKCT-UHFFFAOYSA-N 448.567 3.189 0 3 IGAF Cc1cccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)Cc2ccc(C(C)(C)C)cc2)c1 61930355 RDWRMPLGRKRQTQ-XMMPIXPASA-N 442.581 3.331 0 3 IGAF CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCCOC 4041915 RFCBREJBWLAUBY-JTHBVZDNSA-N 425.529 3.396 0 1 IGAF COc1cccc2c1cc(C(=O)N[C@@H](C)c1cc[n+](C)cc1)n2Cc1cccc(C(=N)N)c1 14953999 AZVBVPASVKJADG-KRWDZBQOSA-O 442.543 3.298 0 1 IGAF CC(C)NC(=O)N1CCC[C@@H](O)[C@H](NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)C1 15672007 AHMXZGGNVRTFHF-FGZHOGPDSA-N 443.519 3.078 0 1 IGAF biogenic C[C@H](C(=O)NCCc1ccccc1F)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 15954504 XCMPQTLSSNNAIQ-SGANQWHYSA-N 448.498 3.090 0 1 IGAF biogenic N=C(N)c1cccc(N2CCCCN(C3CCN(C(=O)Cc4ccccc4)CC3)C2=O)c1 26826929 CIOJDYINTCGHMC-UHFFFAOYSA-N 433.556 3.227 0 1 IGAF NC1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1 45385899 HRUCWUHJVHMCSF-UHFFFAOYSA-N 437.302 3.228 0 1 IGAF O=C(Cn1nc(C2CCC(F)(F)CC2)c2cnccc2c1=O)NC1Cc2ccccc2C1 58468173 HTQKPVVITWAUOK-UHFFFAOYSA-N 438.478 3.368 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 82219150 ZOWMNIBQMRXVET-YSZBQJHXSA-N 440.540 3.376 0 1 IGAF COc1cccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3C(=O)c2ccc(F)cc2)c1 95894550 DMZOAGGJCGYILZ-SMIHKQSGSA-N 446.478 3.464 0 1 IGAF O=C(CCc1ccccc1F)N(Cc1nc2c(c(=O)[nH]1)COCC2)Cc1cccs1 96283577 HVPUASJORDGFQX-UHFFFAOYSA-N 427.501 3.205 0 1 IGAF Cc1cc(C2CCN(C(=O)NC3CCCCC3)CC2)n(-c2ccc(S(N)(=O)=O)cc2)n1 96283719 LXZGECHVCZAULW-UHFFFAOYSA-N 445.589 3.050 0 1 IGAF CCOC(=O)CCc1c(C)nc2cc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2c1O 101717786 ITQZPGTWOZDMSU-HNNXBMFYSA-N 432.521 3.354 0 1 IGAF C[C@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3cc(Cl)ccc3F)cc2)n1)C(N)=O 142474710 FERUCLMBAKQOAA-JTQLQIEISA-N 429.839 3.113 0 1 IGAF Cc1ncc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)s1 221915721 KGLVUBPOTYDSOD-DOMZBBRYSA-N 449.483 3.336 0 1 IGAF Cc1cncc2sc(C(=O)NCc3ccc(S(=O)(=O)C(F)(F)F)cc3)c(N)c12 224510214 UAVHPQUKOMFDKH-UHFFFAOYSA-N 429.445 3.410 0 1 IGAF CCCC(=O)OC[C@@H]1[C@@H](c2ccc(O)c(OC)c2)OC[C@@]1(O)Cc1ccc(O)c(OC)c1 238748324 GLVJBBUJACXZKA-VEYWIMSWSA-N 446.496 3.120 0 1 IGAF O=C(O)C[C@H](O)Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586890779 OURNEYARFKRMHZ-SNVBAGLBSA-N 425.338 3.351 0 1 IGAF CC(C)[C@](C)(O)c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 586891701 UZCHJUCIGNMBKH-VWLOTQADSA-N 435.572 3.426 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587033971 DCZXQYLFUZUDKW-UHFFFAOYSA-N 432.571 3.074 0 1 IGAF CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC)CC(=O)c1cc(C)cc(N)c1O3 587401651 VGDPUNFUJPZDCM-LBUWTTHGSA-N 430.501 3.101 0 1 IGAF COc1cc2c3c(c1)O[C@@]1(c4cc(C)cc(O)c4C(=O)c4c(O)cc(O)cc41)[C@@H](C2)C3=O 587448802 GJFBSIGOOHXQKO-IVCQMTBJSA-N 430.412 3.356 0 1 IGAF CCC[C@H](NC(=O)N1CCc2cnc(N[C@@H](C)CO)nc2C1)c1ccc(OC)c(F)c1 1772606363 ZNEMIGHLZIZEKM-KSSFIOAISA-N 431.512 3.026 0 1 IGAF CC1=C[C@H](CNC(=O)COCC(=O)O)[C@H](C(C)C)C[C@@H]1Cc1nc2ccc(C)cc2[nH]1 2356293790 KGFUAPPNWODNEN-QRVBRYPASA-N 427.545 3.486 0 1 IGAF CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=O)CC[C@@H]4[C@@H]3C(=O)C[C@H]2C1 2356312366 TXXOLQKCLTZALX-NEJCFOBISA-N 446.540 3.211 0 1 IGAF COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@H]2NC(=O)c1cccc(F)c1 2356834748 KEJGUSXMBONCTM-IKVMQTKTSA-N 448.579 3.434 0 1 IGAF O=C(CCCn1c(O)c2cc(Br)ccc2nc1=S)NC[C@@H]1CCCO1 198351162 MGUCOUBVFAKFFP-LBPRGKRZSA-N 426.336 3.309 0 3 IGAF COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C(=O)[C@H]3COC[C@@H]32)cc(OC)c1OC 15161071 UDMGAFIGOTWFTR-DOXZYTNZSA-N 444.480 3.329 0 1 IGAF biogenic Cc1nnc(CNC(=O)[C@H](N)CC(C)C)n1-c1ccc(Cl)cc1C(=O)c1ccccc1 28765756 RHPVTRKAXCPVAZ-LJQANCHMSA-N 439.947 3.450 0 1 IGAF Nn1c(SCC(=O)c2cc3ccccc3oc2=O)nc2sc3c(c2c1=O)CCCC3 28814871 VPIXOFWBCTWPNP-UHFFFAOYSA-N 439.518 3.132 0 1 IGAF COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@@H]1CCNC1=O 34800017 MOFYSSKDMWISNA-QGZVFWFLSA-N 429.883 3.495 0 1 IGAF CCCCOc1ccc(-c2ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc2)c(F)c1 38269250 KYGHKMUIVCETMP-OAQYLSRUSA-N 441.436 3.403 0 1 IGAF Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3cc(Br)ccc32)ccn1 84604395 JTXPVRLALFBETB-UHFFFAOYSA-N 439.269 3.483 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C)C[C@H]1C 95679219 FKUUEJXYVSQQBY-HYFFOGBASA-N 431.577 3.251 0 1 IGAF O=C(C1CCCCC1)N1[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3[C@@H]2[C@@H]1CO 95894393 CFXSFUPMRVHHHN-VJBWXMMDSA-N 440.565 3.131 0 1 IGAF C[C@@H]1CN(Cc2c[nH]nc2-c2cc(C(=O)O)co2)CCN1c1ccc(C(F)(F)F)cn1 115165933 IEZULTCNPPAYSN-GFCCVEGCSA-N 435.406 3.492 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NCC4(O)CCC4)c3F)C2)cc1 169709927 OJZQASVYNAHFOV-OXJNMPFZSA-N 442.535 3.402 0 1 IGAF CC(C)Cc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1 200525419 JJEVCTBXYVKJGJ-UHFFFAOYSA-N 428.920 3.041 0 1 IGAF CC[C@H](C)[C@@H](O)[C@@H](C)C(=O)O[C@@]1(C)C(=O)c2c(cc(O)c3c2CCC[C@H]3C)[C@@](C)(O)C1=O 203526845 PHZTWQVIBIBVMW-JYEDOCNKSA-N 446.540 3.150 0 1 IGAF NS(=O)(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc12 587091730 OJCRONZBZJBKAP-UHFFFAOYSA-N 440.325 3.232 0 1 IGAF Cc1cc(-c2nc3nc(Br)c[nH]c-3n2)ccc1NS(=O)(=O)C(F)(F)F 587125820 SFXUXVSGXZMAOY-UHFFFAOYSA-N 436.213 3.304 0 1 IGAF O=C1c2c(sc3c2CCCC3)N/C(=C\Cl)N1Cc1ccc2c(O)nc(O)nc2n1 587564375 QSIVDBFWDBBXDF-NTUHNPAUSA-N 429.889 3.482 0 1 IGAF CC(=O)N1N=C(c2ccc(Cl)cc2Cl)C[C@@H]1c1cccc(OS(N)(=O)=O)c1 1857564565 JWUXXLXQXJBQIY-QGZVFWFLSA-N 428.297 3.273 0 1 IGAF CS(=O)(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)CC1CCCCC1 1857573455 MZNOPBZVMXIFKO-NUNAXRQHSA-N 447.645 3.338 0 1 IGAF CCOC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](NCC4CCCCC4)CO[C@@H]23)c1 2356812103 BRYWWYMABCXDTI-NCYKPQTJSA-N 432.517 3.117 0 1 IGAF CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)C(=O)OC(C)(C)C 15952264 SZHZHEUUHLAENN-SFHVURJKSA-N 440.544 3.094 0 3 IGAF O=C(NCC1CCN(C(=O)C(=O)c2cc3ccccc3o2)CC1)c1ccc2c(c1)OCO2 199720085 FNLPJJMKIGGWIZ-UHFFFAOYSA-N 434.448 3.013 0 3 IGAF Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1ccccn1 13609676 ZNOSSYNGGCPWQR-QFIPXVFZSA-N 430.483 3.268 0 1 IGAF COC(=O)/C=C/C=C/CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 27627205 VCSJUKUUUSXUFT-AOHZKELYSA-N 436.932 3.059 0 1 IGAF CN(C)C(=O)C1(c2ccc(Cl)cc2)CCN(CCN2C(=O)COc3ccccc32)CC1 28826463 VAMSHILYPFTFGL-UHFFFAOYSA-N 441.959 3.187 0 1 IGAF Cc1ccc(-c2cccc(S(=O)(=O)N[C@H]3CC[C@H](n4cc(F)c(N)nc4=O)C3)c2)cc1 49033132 VLPDMKHOWRSZAI-ROUUACIJSA-N 442.516 3.012 0 1 IGAF CNC(=O)c1ccc2c(CNCCCCO)c(-c3cc(Cc4ccccc4)[nH]n3)[nH]c2c1 49808012 UWCBGKAQBYPAMJ-UHFFFAOYSA-N 431.540 3.371 0 1 IGAF C[C@@H](CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)NC(=O)c1ccc2ncccc2c1 72135774 ZDQMTZFJSVMQKK-KRWDZBQOSA-N 429.524 3.333 0 1 IGAF Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)c1 95798046 BCKVPVVORVDOKW-GNKBHMEESA-N 426.516 3.473 0 1 IGAF Cn1c(N2CCO[C@H](c3ccc(Br)cc3)C2)nc(-c2ccncc2F)cc1=O 113089789 DJTWMKUFKSLHHN-SFHVURJKSA-N 445.292 3.322 0 1 IGAF NC(=O)C12CC3C[C@@H](C1)C(OC(=O)N1CC[C@H](c4nccc(C(F)(F)F)n4)C1)[C@@H](C3)C2 147278972 KLGWUQXUIBHPGO-LIRNVAFCSA-N 438.450 3.102 0 1 IGAF O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2cccnc2)[C@@H]1C(=O)c1cc2ccccc2o1 169687637 UFGHSQNHTOJURM-RTWAWAEBSA-N 428.448 3.066 0 1 IGAF C[C@@H]1CN(Cc2ccc(Cl)s2)C[C@@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 205455967 GZSRRVIDDJGCHN-DOMZBBRYSA-N 433.965 3.262 0 1 IGAF O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3ccoc3)ccc1-2 219794824 PHBISUKUYFSRAF-SFHVURJKSA-N 429.432 3.340 0 1 IGAF C[C@@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccccc1F 299880117 LSLRJNHDHBXKAJ-QINHECLXSA-N 439.535 3.293 0 1 IGAF CC(C)N1C(=O)CN(C(=O)C[C@H](N)[C@H]2CCc3cc(F)c(F)cc32)Cc2ccccc21 473166880 GHUJARGOXNFXFC-UWJYYQICSA-N 427.495 3.496 0 1 IGAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@@H](C)O)cc1 586935591 FJEIOGWPCVFLGB-JDNHERCYSA-N 447.410 3.130 0 1 IGAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586946514 LPXXQBCKIVAHLM-JTQLQIEISA-N 429.395 3.244 0 1 IGAF COC(=O)c1ccnc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc12 587158007 SVVRCBKASOAEMH-UHFFFAOYSA-N 446.236 3.481 0 1 IGAF CC(C)COc1ncc(-c2cn(C)c3cc(C(=O)NS(C)(=O)=O)cnc23)cc1Cl 1857588666 OKYGAOGCQMSEQD-UHFFFAOYSA-N 436.921 3.013 0 1 IGAF CC(=O)OC[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 2356508067 BMTLRDYVZOBQND-YCSVWFJXSA-N 432.557 3.148 0 1 IGAF Cc1cccc2c1O[P@@](=O)(OC[C@@H]1C[C@@H](F)[C@H](n3cnc4c(N)ncnc43)O1)OC2 13561147 FYTFCQRUFXWTCM-FRVQXVLESA-N 435.352 3.076 0 1 IGAF O=C1c2ccccc2C(=O)N1OCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 13820876 CEFKGZFOFOYUQV-UHFFFAOYSA-N 433.430 3.445 0 1 IGAF CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O 40933872 NWUSHDACDTZXCD-UHFFFAOYSA-N 441.491 3.441 0 1 IGAF O=c1c(O)c(-c2ncc(Cc3ccc(F)cc3)s2)nc2ccc(N3CCOCC3)cn12 58592358 FBHOZTRRKYTTHS-UHFFFAOYSA-N 438.484 3.090 0 1 IGAF O=C1C[C@@]2(CCc3ccccc3C2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1 64245779 WZOMICPSISNAGQ-VWLOTQADSA-N 437.971 3.396 0 1 IGAF COc1cc2nc(NCCCN(C)c3ccccc3)nc(NC[C@H](C)O)c2cc1OC 82129361 CUGAONDIJAXENA-INIZCTEOSA-N 425.533 3.378 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(C)C[C@H]1C 95679240 PKUVVKWKOXMSIX-DRSNIGMVSA-N 431.577 3.251 0 1 IGAF CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1ccccc1 95881360 AACIVLVPWBHRQJ-YQIMAOPZSA-N 447.579 3.106 0 1 IGAF Cc1cc(-n2cnc3c(NC4CCOCC4)nc(N[C@@H](C)c4ccc(F)cn4)nc32)n[nH]1 96167843 NLMBGKWBMKWILA-ZDUSSCGKSA-N 437.483 3.145 0 1 IGAF O=C(NCc1cn(-c2ccccc2)c2cc(Cl)ccc2c1=O)c1ccc(NCCO)nc1 96170169 FIJXVKOKYPXWFF-UHFFFAOYSA-N 448.910 3.373 0 1 IGAF COc1ccc(Br)c(C(=O)NN2C(=O)CS[C@H]2c2ccccc2OC)c1 103191238 XIXVWNFOHGPSQA-SFHVURJKSA-N 437.315 3.385 0 1 IGAF C[C@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4cccc(CO)c4)nc3n2)C[C@@H](C)O1 143413743 FSJBOSGWKQMEDB-OKZBNKHCSA-N 449.555 3.023 0 1 IGAF Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1F 144405296 CERACPGISLLMDW-YGRLFVJLSA-N 441.485 3.066 0 1 IGAF COc1cc2nc(-c3cc(I)c(N)cc3OC)[nH]c2cc1OC 587178434 BVZJLUQOUGMXFO-UHFFFAOYSA-N 425.226 3.443 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352324 WXPOBNPFLGWAGJ-FDDCHVKYSA-N 430.428 3.391 0 1 IGAF COc1cc2c3c(c1)O[C@@H](c1c(N4CCSCC4)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O 587450105 DKVDYXIDVVLKQI-HRAATJIYSA-N 449.532 3.053 0 1 IGAF O=C(C(=O)N1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1)c1cccs1 199719148 FTWGLSADIFZUNQ-UHFFFAOYSA-N 442.562 3.301 0 3 IGAF COc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2c(-c4cccs4)ccc(=O)n2C3)cc1 25435314 HLAMNCIQWTYWOS-CVEARBPZSA-N 442.562 3.393 0 1 IGAF biogenic COc1ncc(C(=O)NOCCO)c(Nc2ccc(Br)cc2F)c1Cl 28567251 FTCCQBNNJSPYNP-UHFFFAOYSA-N 434.649 3.043 0 1 IGAF Cc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)NCc3ccc(Cl)cc3)sc12 34298645 VRIIXYBJLRKPFF-UHFFFAOYSA-N 439.924 3.463 0 1 IGAF CCOc1cc(C[C@H]2CO[C@@H](O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc2c1OCO2 40936643 PPKABVGOUVBEEX-OBWXTZQISA-N 446.496 3.206 0 1 IGAF in-vivo CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2cc(O)cc(O)c2)cs1 82195044 MFAHEPANQJGDMT-DCPHZVHLSA-N 433.574 3.494 0 1 IGAF O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccc(F)cc1 95893391 PDGXJBUIUMMCTA-FSSWDIPSSA-N 432.455 3.242 0 1 IGAF CC(=O)CC(=O)N1C(=O)N(C)[C@@]2(C)Oc3ccccc3[C@@H]1[C@H]2COC(=O)c1ccccc1 100263512 XSXPCRJHXMDRGE-JLGINSKQSA-N 436.464 3.183 0 1 IGAF Cc1nn(-c2ccccc2)c(O)c1[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O 104052616 XMKQSSOOUQEMTN-FQEVSTJZSA-N 430.386 3.396 0 1 IGAF CN1CCN(CCCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccccc2)CC1 104249179 CQAQDONUIPXBGH-GMAHTHKFSA-N 440.975 3.186 0 1 IGAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(O[C@@H]4COC[C@H]4O)ccc3Cl)nnc12 145778970 BMHAOZUJNXVLNI-RTBURBONSA-N 437.887 3.317 0 1 IGAF CS(=O)(=O)N(CCCCCCC(=O)O)CCC[C@H](O)COc1ccc(Cl)cc1 169317012 QGCPCUQJINHVJB-KRWDZBQOSA-N 435.970 3.157 0 1 IGAF CC(C)[C@H](CO)NCc1nc(-c2cccc(S(=O)(=O)N(C)C(C)(C)C)c2)ccc1F 204409297 PGNYOFLGYTYCLP-NRFANRHFSA-N 437.581 3.413 0 1 IGAF CC(=O)N1CCc2c(c(-c3cccc(F)c3)nn2[C@@H]2c3cc(F)cc(F)c3C[C@H]2O)C1 206917237 VRYFLHLJHZRJPN-FYYLOGMGSA-N 427.426 3.378 0 1 IGAF CCOC(=O)Cc1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1 586954710 FRSFRSRFMAYYAC-UHFFFAOYSA-N 433.917 3.383 0 1 IGAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@]13Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1)N2C 587337856 MUKZLPHPDSEOOF-WQHGUXOHSA-N 425.456 3.285 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2ccccc2)C[C@H]1C(=O)OCC 587476004 NYTUAVZKAFHTTM-DFBJGRDBSA-N 437.492 3.270 0 1 IGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2=O 587491672 MRTYIVXSANMCEU-OAQYLSRUSA-N 431.510 3.072 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(Cl)ncnc2N2CCOCC2)N1 587706683 RTCYRCLRAYZKQE-QFYYESIMSA-N 441.732 3.492 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 587759263 FLSBKWBXSILELQ-XAILHKCVSA-N 443.313 3.412 0 1 IGAF Cc1ccc(C)c(SC[C@@H]2NC(=O)[C@H]3[C@H](C)[C@H](C(=O)NCc4ccco4)S[C@H]3N2)c1 618013057 NJMAPVCJNQGQRY-GFQCNRQUSA-N 445.610 3.044 0 1 IGAF COc1cc(C(=O)N[C@H](c2nc(C(=O)NC3CC3)cs2)C(C)C)cc(OC)c1OC 1772611593 HZSXXHCGZAKYDE-KRWDZBQOSA-N 433.530 3.188 0 1 IGAF NC(=O)c1ccc(-c2ccncc2/C=C/C(=O)Nc2ccc(CN3CCOCC3)cc2)s1 1772633106 CKYHGLQQZNNTMG-FPYGCLRLSA-N 448.548 3.393 0 1 IGAF N=c1[nH]c(=N)c2cc(NCc3ccc(CCNC(=O)c4cccc(F)c4)cc3)ccc2[nH]1 1857762064 SXTABGSSQYSTFD-UHFFFAOYSA-N 430.487 3.179 0 1 IGAF CN(C[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 2356297994 JXMOFERMXKEWBV-WAOWUJCRSA-N 434.005 3.465 0 1 IGAF Cc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)Cc2ccc(C(C)(C)C)cc2)cc1 61906805 LPZGXJZYUPITIE-DEOSSOPVSA-N 442.581 3.331 0 3 IGAF O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@@H]2C1)c1ccco1 8300051 OEKZIKXGMJONAM-YWZLYKJASA-N 433.439 3.441 0 1 IGAF biogenic CCOC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2cc(NC(=O)c3cccnc3)cn2)cc1 11996548 KFFKNWAROOIVLS-NRFANRHFSA-N 447.495 3.077 0 1 IGAF Nc1ccc(F)cc1C(=O)NCCCCN1CCN(c2nsc3ccccc23)CC1 13747170 IZSSCOJRGGDNKM-UHFFFAOYSA-N 427.549 3.350 0 1 IGAF CCOC(=O)c1cc(NC(=O)Cc2cccs2)ccc1OC[C@H](O)CNC(C)(C)C 25978664 ZAQLPNKRXZFNTM-MRXNPFEDSA-N 434.558 3.234 0 1 IGAF COc1cc2nc(N3CCC(C(=O)N4[C@@H](C)CCC[C@H]4C)CC3)nc(N)c2cc1OC 29222578 BNELLZJFEBVBPQ-GASCZTMLSA-N 427.549 3.235 0 1 IGAF COc1cccc(-c2nc3c(-c4ccco4)n[nH]c3c(=O)n2NC(=O)c2ccccc2)c1 49109895 CHTBAPSMBXCYRL-UHFFFAOYSA-N 427.420 3.439 0 1 IGAF CCN(CC(=O)NCCF)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 59049774 QUGRABBFVLHPJH-GOSISDBHSA-N 443.563 3.258 0 1 IGAF Cc1ccc(-c2nc(C(=O)N[C@@H](CSCc3ccccc3)C(=O)OCCN)co2)cc1 82071531 ZOXLASNXUSPFKW-FQEVSTJZSA-N 439.537 3.184 0 1 IGAF O=C(C[C@H](c1ccccc1)C(C(=O)O)C(=O)O)c1ccc(I)cc1 95579057 RLEQHNWKPHJQER-CQSZACIVSA-N 438.217 3.433 0 1 IGAF COC(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@H]1C 95678612 CPFCVXYAQBATNY-PMAPCBKXSA-N 440.540 3.410 0 1 IGAF CC[C@]1(c2ccccc2)C(=O)NC(=O)N([C@@H]2CCOc3ccc(Cl)cc3C2=O)C1=O 103201565 NYBNHUNSROHKGQ-ZHRRBRCNSA-N 426.856 3.100 0 1 IGAF NCCCCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 168543997 MXAUXQJFMGNYJF-XMTFNYHQSA-N 432.362 3.071 0 1 IGAF 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449.551 3.244 0 1 IGAF CN1CCN=C1c1ccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1 26180491 YKGPYLQOBGTYSL-UHFFFAOYSA-N 449.942 3.112 0 1 IGAF COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H]3C(=O)N3CCCCC3)cs2)c1 82085337 YFOHMMHQPKPRDD-IBGZPJMESA-N 429.542 3.444 0 1 IGAF O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO 95905296 OMZADXYEQUCDQV-AQNXPRMDSA-N 437.968 3.457 0 1 IGAF COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c(=O)c3c(F)ccc(F)c32)cc1 96906848 JSNOQBCZGKOEEU-PMACEKPBSA-N 442.462 3.370 0 1 IGAF O=c1c(NCCCN(Cc2ccc(F)cc2)c2ccccn2)c(NCc2cccnc2)c1=O 100088256 FKGLHXREAVDORB-UHFFFAOYSA-N 445.498 3.333 0 1 IGAF CCn1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21 103185495 XCNJVFYVDGAXRS-QGZVFWFLSA-N 432.398 3.466 0 1 IGAF CCOc1ccccc1-n1c(SCC(=O)NCc2ccco2)nc2nnc(C)c-2c1N 103623182 UPUULCFMBPLHJB-UHFFFAOYSA-N 438.513 3.058 0 1 IGAF CC(=O)c1c(-c2ccccc2)n(C2=NNC(=S)N[C@H]2N)c2ccc(C(F)(F)F)cc12 169346640 SQVXZTDEACGFHO-QGZVFWFLSA-N 431.443 3.454 0 1 IGAF 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0 1 IGAF NS(=O)(=O)c1ccc2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)[nH]c2c1 586966410 MPBLCFYQNDDJOP-UHFFFAOYSA-N 440.554 3.020 0 1 IGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(=O)N3CCOCC3)cc1)CC2=O 587474761 JLDMYBSZLOYGQJ-JOCHJYFZSA-N 425.481 3.289 0 1 IGAF CC(C)(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587595033 ODIRYICBOLWYFV-GSKSXGFKSA-N 439.464 3.358 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)C(C)(C)n3cncn3)c(=O)c3ccccc23)c(O)c1 587668099 ZRMBLUZYJGLYHX-UHFFFAOYSA-N 446.511 3.282 0 1 IGAF CS(=O)(=O)c1c[nH]nc1C[C@H]1CCCN(Cc2ccccc2OCc2ccccn2)C1 618016892 SGGBXZKVVBXQHT-GOSISDBHSA-N 440.569 3.242 0 1 IGAF CC(=O)N1CCC(Oc2cncc(-c3cnc4c(c3Cl)CCCN4C(N)=O)c2)CC1 1772590018 FRAISWCPFLBDHB-UHFFFAOYSA-N 429.908 3.018 0 1 IGAF Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCC[C@@]2(C)O 1772612685 BQYKGUJOFYMQBC-XMMPIXPASA-N 440.519 3.255 0 1 IGAF O=C(NC[C@@H]1OC[C@H](N(Cc2cccs2)Cc2cccs2)[C@@H]1O)c1ccccc1 2356302744 XHEICOJWJNPMHY-ACRUOGEOSA-N 428.579 3.370 0 1 IGAF 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CCCC(=O)N1CCC2(CC1)CN(C(=O)C1CC1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 95666016 WWRYUGVENPLQIO-FQEVSTJZSA-N 439.556 3.122 0 1 IGAF CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CC1)[C@@H](C)CO2 95679789 BDRXDQAKPVBUQK-JLHGSKIFSA-N 431.577 3.251 0 1 IGAF O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1F 95894398 UJQJKWBKKDGWKR-FDFHNCONSA-N 432.455 3.242 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 95894776 MQVNAEKMMMLYGK-FSSWDIPSSA-N 432.455 3.242 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@@H]4NC(C(=O)OCC(C)C)=C(C)[C@@H]4C[C@@H]4[C@H](C2)N(C)CC[C@]341 100788047 LCIWAGQFSNMYED-LWVHDQCASA-N 438.568 3.035 0 1 IGAF Cc1nc(N2CCN(Cc3ccc(F)cc3)C2=O)sc1C(=O)NCc1ccccn1 103236147 ZTYCZYQYLKKKQQ-UHFFFAOYSA-N 425.489 3.358 0 1 IGAF Cc1cc(CCC(=O)c2ccc(CC(C)C)s2)cc(C)c1OC[C@@H](O)CNC(=O)CO 103257881 BKGDRMGLOODFKZ-IBGZPJMESA-N 447.597 3.227 0 1 IGAF CO[C@@]12C=C[C@]3([C@H]4[C@H](O)C(C)(C)C[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 169692705 BANTYRLFVMBWRP-KRBATNRCSA-N 449.591 3.410 0 1 IGAF O=C(NCCC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)c1c[nH]c(=O)o1 209485149 BLGXOKQLEAWQMY-UHFFFAOYSA-N 442.299 3.443 0 1 IGAF Cc1cc(N2C(=O)OC[C@@H]2[C@@H](C)O)nc(N[C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)n1 221673484 UFZIIKCLHDLDOA-YWPYICTPSA-N 444.879 3.368 0 1 IGAF Nc1n[nH]c2cccc(-c3ccc(C(=O)NCCNC(=O)c4ccc(F)c(F)c4)cc3)c12 473161108 ZTVNFUOGJMGURB-UHFFFAOYSA-N 435.434 3.250 0 1 IGAF Cc1ccc(-c2nc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)cs2)o1 587015875 DFYDTAXRQFQJPC-UHFFFAOYSA-N 430.511 3.276 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3C[C@H](C)O[C@@H](C)C3)nc3ccc(C)cn3c1=O)O2 587395314 PQIBDUZPVBPGKE-TWOQFEAHSA-N 448.523 3.214 0 1 IGAF CCN(CC)c1ccc(-c2nn([C@]3(C)CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 587668677 CLAPLIVQJUKYBA-HSZRJFAPSA-N 441.553 3.149 0 1 IGAF Nc1ncnc2c1c(-c1cc(F)c3c(c1)NCCO3)nn2[C@@H]1Cc2cc(F)ccc2C1=O 1772630221 GKUMLYRMNIQMMI-MRXNPFEDSA-N 434.406 3.138 0 1 IGAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)COc3ccccc3)[C@H](C)[C@@H]2[C@H]1O 2356310762 JIZHSBSZGMDDPU-OIMPRTIPSA-N 442.600 3.288 0 1 IGAF COc1cc(C[C@@H]2[C@H](Cc3ccc(OC)c(OC)c3OC)CO[C@@H]2O)cc(OC)c1OC 2356424837 WTGFIYMWSDIPGO-OJLQRUNKSA-N 448.512 3.104 0 1 IGAF C[C@H](O)CC=CC=CC=CC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@]2(C)CCCC(C)(C)[C@H]12 2356443808 ZHQUHDHFPDBIHU-SINMNGAWSA-N 430.541 3.398 0 1 IGAF CCOC(=O)[C@H](C)[C@@H]1CC[C@H](C[C@H](CC)OC(=O)[C@H](C)[C@@H]2CC[C@@H](C[C@@H](C)O)O2)O1 2356588685 ZVKREMVFSQFIJJ-PJBYUTDMSA-N 428.566 3.400 0 1 IGAF CC1(C)C=Cc2c(ccc3c4c([nH]c23)C(C)(C)[C@H]2C[C@@]35CCCN3C(=O)[C@@]2(NC5=O)C4=O)O1 2356658027 CDJZXTFDGOKTOT-MYFBNQOLSA-N 445.519 3.076 0 1 IGAF COc1ccccc1CNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 768319 HLBFMEAUHNPHNU-NHCUHLMSSA-N 434.492 3.405 0 1 IGAF CCN(CC)C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3cccc(C)c3)cc2c1=O 6296703 SRMHGSPGKYVXER-UHFFFAOYSA-N 427.526 3.144 0 1 IGAF COc1ccc(NCCNC(=O)[C@H](CC(C)C)NC(=O)c2ccc([C@@H](C)O)cc2)cc1 13473898 ZTTCKFOYLDBWEE-VGSWGCGISA-N 427.545 3.121 0 1 IGAF COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3[C@@H]2c2ccccn2)CC1 13776803 ANWIIPBIJAWMDI-RUZDIDTESA-N 428.536 3.458 0 1 IGAF Cn1c(=O)nc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(Cl)ccc21 36126679 HLRRHIITKGDLDO-UHFFFAOYSA-N 426.904 3.392 0 1 IGAF CC1=CC(=O)O[C@@H]1[C@@H](O)/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)[C@@H](O)O[C@@H](C[C@@]1(C)O)[C@H]23 45484975 DOMUYBKPZYQPSE-FXTKAKNUSA-N 434.573 3.246 0 1 IGAF COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)[C@@H](O)[C@H]3COC[C@H]23)cc(OC)c1OC 85692429 LFNWRGIHYDICIR-LMOYHYAASA-N 446.496 3.180 0 1 IGAF CCOC(=O)[C@@H]1[C@@H](c2cccnc2)c2c(c3ccccc3oc2=O)O[C@]1(O)C(F)(F)F 95563751 YWAXFLVENYPTCU-UVFQYZLESA-N 435.354 3.143 0 1 IGAF CCS(=O)(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO 95875004 IYKYBCMZBFCAJW-VJBWXMMDSA-N 432.561 3.067 0 1 IGAF O=S(=O)(c1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(F)cc1 95893640 ZGJYVBKAGWBJOI-SMIHKQSGSA-N 438.524 3.364 0 1 IGAF CC(C)(Oc1ccc(F)cc1Cl)C(=O)NC1[C@H]2CC3C[C@H]1CC(c1nnn[nH]1)(C3)C2 101113205 SDLVFSDWSGBQTI-PPYBYDROSA-N 433.915 3.412 0 1 IGAF Cc1cccc(S(=O)(=O)NCCCN2CCN(c3nsc4ccccc34)CC2)c1 114600397 PPDKTZHRAFOGEZ-UHFFFAOYSA-N 430.599 3.095 0 1 IGAF O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCn2cnnc2C1 144243049 VNPUTLWOTKVQPR-UHFFFAOYSA-N 437.467 3.011 0 1 IGAF O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1C[C@H]31 169303380 SAHCFCFOKRFDAF-NENAYYCWSA-N 439.987 3.295 0 1 IGAF COc1cc(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)ccc1-c1cnc(C)o1 205103013 UPSGLKIYYBGTJA-UHFFFAOYSA-N 431.496 3.357 0 1 IGAF CC(C)(C)OC(=O)n1ccc(=O)n(Cc2ccc(OCCCN3CCCCC3)cc2)c1=O 299822703 BYIXFUIEUCFOGD-UHFFFAOYSA-N 443.544 3.096 0 1 IGAF CC1=C(c2ccc3nc(C[C@@H](N)c4ccc(Br)cc4F)[nH]c3c2)NNC(=O)C1 587145325 WTVFDTRMFWNQCT-OAHLLOKOSA-N 444.308 3.463 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CS(=O)(=O)N(C)c3ccccc32)N1 587844613 ONCSNTYQSWIDNH-BBATYDOGSA-N 425.323 3.146 0 1 IGAF Cc1nc2c(C(=O)O)cc(N3CCOCC3)nn2c1Cc1cccc(C(F)(F)F)c1C 1772608968 DKTMKUHYROTKCJ-UHFFFAOYSA-N 434.418 3.491 0 1 IGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCc2nc3ccccc3s2)nc1 1772644524 HCCBKMSUAMDRRG-UHFFFAOYSA-N 428.543 3.455 0 1 IGAF COc1cc2c(cc1OC)CN(CCC(=O)c1c(C)c(OC)c(OC)c(OC)c1O)CC2 1857635042 NCIQIBZJVYPGTO-UHFFFAOYSA-N 445.512 3.375 0 1 IGAF CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2cc(C)ccc2C)CC1 95566141 YLHTXDWJVYTSNI-HXUWFJFHSA-N 434.544 3.324 0 3 IGAF COc1ccc(OCCNC(=O)C(C)(C)n2cc(-c3ccc4c(c3)OCCO4)cn2)cc1 205228374 CESCXUSRAYFIJJ-UHFFFAOYSA-N 437.496 3.260 0 3 IGAF COC(=O)C1=C(O)/C(=C\c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)N=C1C 8686869 YRKTXSRZHPUTDL-CXUHLZMHSA-N 436.873 3.212 0 1 IGAF O=C(Cc1ccc[n+]([O-])c1)N1CCN([C@H]2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 13778926 OHUFIHMDXGKUEF-VWLOTQADSA-N 446.938 3.329 0 1 IGAF COc1cc2nc(N(C)Cc3ccccc3)nc(N[C@H]3CCCCNC3=O)c2cc1OC 82137750 GTJHKIRTWYGPSH-SFHVURJKSA-N 435.528 3.364 0 1 IGAF COc1ccccc1C(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 82195975 SXSVWAVBPDTKNJ-UHFFFAOYSA-N 434.521 3.121 0 1 IGAF O=C(Nc1cc(F)ccc1F)N[C@H]1CC[C@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO 95794590 RGJBWJPEIDPDHJ-MMOPVJDHSA-N 449.502 3.334 0 1 IGAF NCCCC[C@H](NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O 113661796 ZXIMJMSEMJGNTD-NRFANRHFSA-N 436.487 3.393 0 1 IGAF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(C[C@@H]3COCCO3)[nH]c2c1 586911125 WDGKOKUGWIKWMY-CQSZACIVSA-N 441.431 3.340 0 1 IGAF O=C(O)CCN(CCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)Cc1ccccc1 587193177 COVVEUCATMTNNJ-UHFFFAOYSA-N 446.511 3.142 0 1 IGAF c1ccc(C(c2ccccc2)c2nnnn2CCN2CCN(c3ccccn3)CC2)cc1 1857585757 BPYCJADXSLKPNH-UHFFFAOYSA-N 425.540 3.071 0 1 IGAF CC1=C(c2nc(C)no2)N2C(=O)[C@@H](NC(=O)Cc3ccc(Cl)c(Cl)c3)[C@H]2SC1 1857597513 SXWOSISUKPRXMC-RDTXWAMCSA-N 439.324 3.058 0 1 IGAF CCCSc1nc(Nc2ccccc2)c2[nH]c(=O)c(=O)n(Cc3ccc(O)cc3)c2n1 1857635463 AVBBTFOIRXUSSU-UHFFFAOYSA-N 435.509 3.479 0 1 IGAF CCOc1ccc([C@@H]2C(=O)N(C3CCCCC3)CC(=O)N2C[C@@H]2CCCO2)cc1OC 4111985 MLJVJWTXGCQPOB-WMZHIEFXSA-N 430.545 3.318 0 3 IGAF CCc1ccc([C@@H]2CN3C(=O)CN(CCOC)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 2132235 USICYNKDAKWPGV-RXFWQSSRSA-N 431.536 3.408 0 1 IGAF biogenic CCc1nnc([C@H]2C[C@@]34C=C[C@]2(OC)[C@@H]2Oc5c(OC)ccc6c5[C@@]23CCN(C)[C@@H]4C6)o1 28260113 SEWPLOGFQRYTCX-ZZNKZRKUSA-N 435.524 3.029 0 1 IGAF Cn1nccc(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)O)cc2)c1=O 29127819 FPRXGNGLIQZNBP-KRWDZBQOSA-N 446.290 3.180 0 1 IGAF O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@H]1CO 95905298 OMZADXYEQUCDQV-AABGKKOBSA-N 437.968 3.457 0 1 IGAF Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21 117717848 QVFCEFCQUNKANC-UHFFFAOYSA-N 431.477 3.386 0 1 IGAF CCO[C@H]1CCN(C(=O)c2cc(C(=O)N[C@H](CC)c3ccccc3)c3n2CCOC3)C1 146101072 IFCGGXYCJMGSLS-AZUAARDMSA-N 425.529 3.150 0 1 IGAF NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)c[nH]1 209404645 XZKVWRKKMDFQLH-INIZCTEOSA-N 428.842 3.067 0 1 IGAF Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ccc(C(F)(F)F)cn2)C3)c(-n2ccnn2)n1 221059529 GHXZJXMDEVEHKN-UAGQMJEPSA-N 443.433 3.242 0 1 IGAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@@H]3[C@H](O)[C@@]21C 504664279 MWPMSHAXOHRZSG-ZGBIPCCRSA-N 439.596 3.341 0 1 IGAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 587414548 VUIZKKBEAGQZKC-ZJSXRUAMSA-N 433.416 3.258 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587708207 ZYNKDNLXIRQRPV-ANRSDYALSA-N 426.204 3.402 0 1 IGAF Cc1nc(NC(=O)C(C)(C)C)sc1-c1ccc(Cl)c(S(=O)(=O)NCCO)c1 653722909 UTWQYDSXPBWHQY-UHFFFAOYSA-N 431.967 3.027 0 1 IGAF CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)C1 962635050 OABOZAVUJQXLAT-RLCCDNCMSA-N 430.423 3.482 0 1 IGAF COc1cc2c(cc1OC)[C@@]1(CCC[C@@H]2C(=O)O)NCCc2ccc(C(=O)N(C)C)cc21 962931050 ZJRLSYFOBQTEPY-GKVSMKOHSA-N 438.524 3.147 0 1 IGAF COc1ccc(C[C@H]2CN3C(=NC[C@H]3C)N2CCNC(=O)CCC2CCCCC2)cc1 13545662 LOASZADHDISCNM-KNQAVFIVSA-N 426.605 3.459 0 3 IGAF O=C(O)CCn1cc(Cn2ccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 13765893 LETDBYAQRZLVRD-UHFFFAOYSA-N 442.472 3.301 0 1 IGAF CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1 26276286 BZGNSHZZBYWLGG-UCFCWBNQSA-N 448.567 3.130 0 1 IGAF CC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1 28396495 QQUUAWAFTCCWOQ-CQSZACIVSA-N 435.933 3.220 0 1 IGAF O=C(OCc1ccccc1)[C@@H]1CC(=O)N1[C@@H](C(=O)NCc1ccccc1)c1ccccc1 28522149 HVVIMLFNXVLHDO-LADGPHEKSA-N 428.488 3.388 0 1 IGAF O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(CN3CCNCC3)cnc2c1 40575777 VREBBUMXMALSBB-UHFFFAOYSA-N 445.445 3.071 0 1 IGAF Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)N3)nc1 45495037 PCLVYCVVWYEUSB-UHFFFAOYSA-N 448.552 3.296 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 82209233 QKVSHBIJVMCUBX-XJFOWDDSSA-N 442.600 3.239 0 1 IGAF O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(NC2CCOCC2)nc1C1CCC1 95572341 SZQOXFDYAUHBOI-NZBFBSQQSA-N 426.561 3.004 0 1 IGAF CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H]1C 95679624 LZLCXSINECTMIX-HYFFOGBASA-N 431.577 3.251 0 1 IGAF C[C@@H]1CNC[C@@H](C)N1C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(F)cc21 100762125 JCYMCDKXDFYNTC-ZIAGYGMSSA-N 429.496 3.089 0 1 IGAF Cc1nc2ccccc2nc1-c1cc2nc(N3CC[C@@H](F)C3)cc(NCC(C)(C)O)n2n1 149990105 JHCPAZKUUMSOAO-OAHLLOKOSA-N 435.507 3.379 0 1 IGAF CN1CC[C@H](C(=O)N2CC=C(c3ccc(NC(=O)N4Cc5ccccc5C4)cn3)CC2)C1 166686438 NZDDJINOVMYFHB-NRFANRHFSA-N 431.540 3.197 0 1 IGAF COCCN1CCN([C@@H](CN2CCC(N3CCC(C)CC3)CC2)c2ccccc2)CC1 198330062 BYWHUJJZGCVXDG-SANMLTNESA-N 428.665 3.188 0 1 IGAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4NCC(=O)N3CC3)no2)cc1C#N 202708361 MKHXAWNHDCTILD-OAQYLSRUSA-N 443.507 3.482 0 1 IGAF CC(C)N1CCC(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)cc2)CC1 223618780 TXIXKAUJLKFFFX-UHFFFAOYSA-N 441.553 3.404 0 1 IGAF O=C(c1cc(F)ccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](CNc1cnc3ccccc3n1)C2 226036398 JRLJNPJMLWQYTR-WJPUGNRLSA-N 443.486 3.455 0 1 IGAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@]21c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962677511 ZZGPOHJKNRRQTI-DQEYMECFSA-N 430.460 3.246 0 1 IGAF 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O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1cccnc1 95893847 SUBBDXRKAIIZIF-WMTXJRDZSA-N 446.482 3.171 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1cccnc1 95893848 SUBBDXRKAIIZIF-WPFOTENUSA-N 446.482 3.171 0 1 IGAF COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@H](CO)O1 95900480 YVFPRJXGACQPOR-WAXPWZKESA-N 430.432 3.027 0 1 IGAF O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1 95920842 GEVQDXBVGFGWFA-KQRRRSJSSA-N 428.532 3.147 0 1 IGAF in-vitro CCn1cc(C(=O)Nc2ccccc2)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c21 96905708 IUILQZADFXATCK-AWEZNQCLSA-N 426.467 3.350 0 1 IGAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)N1CCCO1)[C@H](c1ccc(I)cc1)C2 100728466 QCUDYJXEEDCQAN-YYIAUSFCSA-N 426.298 3.021 0 1 IGAF COc1ccc2nc(NC(=O)NC(=S)n3c(C)nc4cc(F)ccc4c3=O)sc2c1 103246295 NOZXTXVHGGZEEC-UHFFFAOYSA-N 443.485 3.417 0 1 IGAF CCN(CC)c1ccc([C@H]2CN(c3nc(-c4ccncc4F)cc(=O)n3C)CCO2)cc1 113091418 OJTJRGHAUJWBGK-JOCHJYFZSA-N 437.519 3.406 0 1 IGAF CN1C(=O)N/C(=C\c2cnn3c(NC4CC4)cc(Nc4ccc(C#N)c(Cl)c4)nc23)C1=O 145925103 ARGFCEAUQCPDBU-SOFYXZRVSA-N 448.874 3.095 0 1 IGAF CC[C@@H](O[C@@H](CO)Cc1ccc(O)c(OC)c1)[C@@H](OC)c1cc(OC)c(O)c(OC)c1 169347499 IXDWWAKFBJRMEW-UQNRQAKVSA-N 436.501 3.210 0 1 IGAF CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(=O)[nH]ccc4c3)n2)cc1 205108463 RJUFMQNTLGTSPN-UHFFFAOYSA-N 447.520 3.017 0 1 IGAF CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccc(O)c1 299880267 LZZJGXGLOBZCIH-VYSKDJSUSA-N 443.496 3.425 0 1 IGAF Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccc(O)cc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587562764 KFBFBIKXSPSBQO-OALUTQOASA-N 443.415 3.000 0 1 IGAF CCOC(=O)[C@@H](F)[C@@]1(C)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1N 963138764 JHTPANJPXANBLW-NFBKMPQASA-N 430.476 3.101 0 1 IGAF COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2ccncc2)[C@@]12C(=O)Nc1ccc(F)cc12 1772626218 COEHUEUOLJLCSR-TXBYWVTISA-N 425.460 3.118 0 1 IGAF CNCCCOc1ccc(-c2ccc3ncc4c(c3c2)n(C2CCOCC2)c(=O)n4C)cn1 1772654189 BHZJNQALHTWTBX-UHFFFAOYSA-N 447.539 3.290 0 1 IGAF Cc1cccc(C)c1N1C(=O)[C@H](C[C@H]2CNc3ccccc32)NC2(CCN(C)CC2)C1=O 1857604881 FVVJBQFXISQDKF-UGKGYDQZSA-N 432.568 3.199 0 1 IGAF Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C2\NC(=O)c3ccc(F)cc32)cc1 1857611689 QKNVRQTZRVTMDR-NHDPSOOVSA-N 448.429 3.200 0 1 IGAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccc3)[C@H](O)[C@@H]2[C@@H]1C 2356462226 KBNYXLDRYGCDAI-GZEJIACESA-N 429.605 3.450 0 1 IGAF Cn1nnnc1C(/C=C/[C@@H]1C[C@@H](O)CC(=O)O1)=C(c1ccc(F)cc1)c1ccc(F)cc1 3786396 VIMMECPCYZXUCI-MMKWGKFASA-N 438.434 3.070 0 1 IGAF in-vitro O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(Cl)cc1F 4055198 NDCDELKLMXFYTJ-IEBWSBKVSA-N 441.286 3.349 0 1 IGAF Cn1c(=O)c2sccc2n2c(CCCC(=O)N3CCC(Cc4ccccc4)CC3)nnc12 9431310 BTJJKTQCVNMBRJ-UHFFFAOYSA-N 449.580 3.447 0 1 IGAF CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(N)c1 26652908 YNQUJYRDYTVQDN-INIZCTEOSA-N 430.313 3.081 0 1 IGAF CCOC(=O)C(CCCOc1cccc(OCCN(C)C)c1C(=O)CC)C(=O)OCC 95562858 PAGMCNVFJWOEMG-UHFFFAOYSA-N 437.533 3.121 0 1 IGAF CCc1cc(NC2=NCC3=C2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)ncn1 96172483 ZBZAWBBHHAPSOF-OAQYLSRUSA-N 447.587 3.266 0 1 IGAF Cc1nn(-c2ccccc2)c(O)c1[C@@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O 104052611 XMKQSSOOUQEMTN-HXUWFJFHSA-N 430.386 3.396 0 1 IGAF O=C(c1ccc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)nc1)N1CCNCC1 117686013 CNEMATMUMUNODK-UHFFFAOYSA-N 442.527 3.279 0 1 IGAF O=C(NC[C@H](O)CO)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 169710696 OFONJYAOQLVHJY-FUHWJXTLSA-N 426.494 3.085 0 1 IGAF C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC[C@@H]3[C@](C)(O)C[C@H](OC(=O)/C(C)=C/C)[C@H]21 238780345 BCRODGCGQKENCQ-TTWQXQDMSA-N 446.540 3.411 0 1 IGAF NCCOCCOCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587246220 MKULTILQKHVVNB-UHFFFAOYSA-N 434.334 3.439 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@]1(CC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587794830 HFHQDRIZHBJCEU-JEOXALJRSA-N 430.314 3.470 0 1 IGAF C[C@H]1[C@H](O)[C@H](O)[C@@H](C)N1C(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772631019 CFHSTJILBNRLRV-JARDSOJUSA-N 447.413 3.396 0 1 IGAF COc1cc(OC)cc(C(=O)Nc2nc(-c3ccncc3)c(N3CCN(C)CC3)s2)c1 1857558771 ZMHQIFIILUEBEW-UHFFFAOYSA-N 439.541 3.226 0 1 IGAF Cn1c(-c2csc(C3CCN(CC4=N[C@H]5C=CC=N[C@H]5N4)CC3)n2)nc2ccccc21 1857597483 NSXFCOAQTRXPAW-UWJYYQICSA-N 431.569 3.213 0 1 IGAF CC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1cc2cc3c(cc2nc1O)OCO3 8582762 PNECGUUYYFRKDY-UHFFFAOYSA-N 436.472 3.206 0 3 IGAF COC(=O)c1ccccc1NC(=O)[C@@H](C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O 15943130 VYKUKCYBGILKIB-MRXNPFEDSA-N 445.479 3.185 0 3 IGAF O=C(N[C@H](C(=O)N1CCC[C@@H]1C(=O)NC1CCCC1)c1ccccc1)c1cccs1 198919426 ALMHLLWKAKAGRC-QUCCMNQESA-N 425.554 3.269 0 3 IGAF O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1 4239004 MSDNUQVWILPQAW-UHFFFAOYSA-N 449.461 3.211 0 1 IGAF Cc1cc(C(=O)NCCCN2CCOCC2)c2c(C)nn(-c3ccccc3Cl)c2n1 20283555 GQMKBWUKWIVVIO-UHFFFAOYSA-N 427.936 3.143 0 1 IGAF C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)O)C[C@@H](C)N1C(=O)Cc1ccccc1 35920130 AFHZNYOZSHABDK-CALCHBBNSA-N 430.932 3.467 0 1 IGAF CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCC5CCCCC5)CO[C@H]34)n2)cc1 36369398 QGFQEHPPKKLHLD-OLKYXYMISA-N 437.588 3.326 0 1 IGAF biogenic NC(=O)NCc1ccc(NC(=O)/C=C2\C[C@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1 40712548 JCCJCTNJPWOBID-HKUPYCBJSA-N 449.294 3.453 0 1 IGAF COc1cc(OC)nc(NC(=S)NC(=O)[C@@H]2[C@H](/C=C(\Cl)C(F)(F)F)C2(C)C)n1 40859854 PDZWMWIADVKZOV-SNRBSPJOSA-N 438.859 3.264 0 1 IGAF COc1cc(OC)c([C@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccccc2F)[nH]n1 64348855 GJCPFXOLPBUQTP-KSSFIOAISA-N 427.476 3.386 0 1 IGAF CCNCc1cn(CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nc1C(F)(F)F 64548744 GGMAQUBHQFYNCX-UHFFFAOYSA-N 443.495 3.079 0 1 IGAF O=C1OCC2=C1[C@@H](c1cc(Br)cc(Br)c1O)c1cn[nH]c1N2 71280634 HEWOOYRHTDFCIG-JTQLQIEISA-N 427.052 3.009 0 1 IGAF CN1CCC[C@@H]1COC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3ccccc3)n2)C1 82081655 VVECSMSTSNNLAX-SJLPKXTDSA-N 428.558 3.376 0 1 IGAF CC(C)c1noc(N2CCC([C@H]3C[C@H]3COCc3ccc(-n4cnnn4)cc3F)CC2)n1 204986090 SYYKJWTWYPYSRR-PKOBYXMFSA-N 441.511 3.377 0 1 IGAF c1ccc(CNCC[C@@]23O[C@]4(CCNCc5ccccn5)[C@H]5[C@@H]2[C@@H]2[C@@H]6C[C@@H]([C@H]25)[C@@H]4[C@@H]63)nc1 253673288 GMOUWTUTWWZURS-VUFRMYDSSA-N 428.580 3.032 0 1 IGAF Cc1ccc(-n2cnnc2SCc2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1Cl 586968292 POLADJPSWNJBBZ-UHFFFAOYSA-N 434.934 3.045 0 1 IGAF O=C(O)c1nn(Cc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1I 587186584 YGGZYYFNJPJQIM-UHFFFAOYSA-N 437.024 3.417 0 1 IGAF CC1=C(c2ccc3nc(CN(C[C@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 587197976 YFBQFKYRZUNXCY-MRXNPFEDSA-N 441.532 3.235 0 1 IGAF COc1ccc([C@]2(COCC(=O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587592849 HRJSHXKTFQQQEO-QPPBQGQZSA-N 436.416 3.359 0 1 IGAF CC1=C[C@]2(CC(=O)N1CCCC(=O)O)N[C@@H](C)Cc1cc(Br)c(F)cc12 587759962 NHMRDAAFQWLMNT-JEOXALJRSA-N 425.298 3.319 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3nnnn3C)cc2)N1 587761435 UIDKZWZADAPBEW-JEOXALJRSA-N 432.297 3.314 0 1 IGAF COc1cc(OC)c2c(=O)cc(N3CCN(Cc4ccc(NC(C)=O)cc4)CC3)oc2c1 653708753 OTCCIIOJVMHTQZ-UHFFFAOYSA-N 437.496 3.091 0 1 IGAF COC(=O)[C@]1(c2ccc(Cl)cc2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962639407 UYOOMKWSVNFYCW-CRAIPNDOSA-N 429.778 3.254 0 1 IGAF O=C1C=C(C(F)(F)F)N[C@H]([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)N1 963816759 HNIJVDXSOMIFOV-YADHBBJMSA-N 442.441 3.425 0 1 IGAF COC(=O)[C@@H]1CSC[C@]12c1ccc(C)cc1C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C 963831844 JZKPKMGRBJBPGH-ZWWNWMABSA-N 435.542 3.363 0 1 IGAF COc1nc(-c2cncn2C)ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1 1772600871 NPKJUJBBICRLJS-UHFFFAOYSA-N 434.504 3.409 0 1 IGAF COc1ccccc1CNc1ncnc2c1ncn2[C@H]1C[C@@H](NC(=O)c2cccc(C)n2)C1 1772658157 WIYAUAAFEQFNHE-HDICACEKSA-N 443.511 3.284 0 1 IGAF COC(=O)CC=C/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 1857624560 FDLAWQMKYQSKSJ-GXHPALQWSA-N 436.932 3.059 0 1 IGAF COc1cc([C@@H]2c3cc(OC(C)=O)c(OC)cc3C[C@H]3C(=O)OC[C@H]32)ccc1OC(C)=O 8603166 LFKHGQCTOISGLY-PMAPCBKXSA-N 440.448 3.032 0 1 IGAF biogenic COc1cc(NCc2c(Br)sc3nc(N)nc(N)c23)cc(OC)c1OC 13606480 VMSSMKPLAXEQHX-UHFFFAOYSA-N 440.323 3.256 0 1 IGAF O=C(NC[C@@H]1CCCO1)C1CCN(C2CCN(Cc3ccc4ccccc4n3)CC2)CC1 19229087 CILOIGZDHHPKCH-DEOSSOPVSA-N 436.600 3.206 0 1 IGAF COc1ccc2c(ccn2S(=O)(=O)c2ccc(OC)c(NC3CCN(C)CC3)c2)c1 35262114 QSIUIFSGROXYNE-UHFFFAOYSA-N 429.542 3.402 0 1 IGAF C[C@H]1CCCCN1S(=O)(=O)c1ccccc1NC(=O)c1cc(C(F)(F)F)nn1C 40422079 WGQZAXVWQHFYON-LBPRGKRZSA-N 430.452 3.254 0 1 IGAF Cc1c2c(n3c1CCC(=O)N1CCC[C@@H]1CNc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 71341306 CQXLACSOWMIHAJ-QGZVFWFLSA-N 448.567 3.389 0 1 IGAF C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccccn2)C1=O 96273465 KTQMUSPYNMMSJO-IQGLISFBSA-N 429.476 3.419 0 1 IGAF O=C(Cn1ncc2c3ccccc3nc-2c1O)NCC1CCN(Cc2ccccc2F)CC1 101787046 CLDNULLUFIPABU-UHFFFAOYSA-N 447.514 3.409 0 1 IGAF COc1cc(OC)c([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@@H]2C)OCO4)c(OC)c1 105518676 UDLVQRWGRXVIGM-MQWOPBJLSA-N 443.496 3.260 0 1 IGAF Oc1nccc2c3cnc(Nc4ccc(CN5CCNCC5)cn4)nc3n(C3CCCC3)c12 117679337 JGZXCZPRYTYKPZ-UHFFFAOYSA-N 444.543 3.344 0 1 IGAF CO[C@@H]1CCC[C@@H](N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)C1 148453804 NYTYNQKRYNWVDX-CEXWTWQISA-N 430.570 3.375 0 1 IGAF Nc1cnc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)nc1N 169704756 ADMNUSBRXQKZMG-UHFFFAOYSA-N 442.405 3.307 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NCC(C)(C)O)c3F)C2)cc1 169709930 NCNYXRGMHVKLTL-HNAYVOBHSA-N 430.524 3.258 0 1 IGAF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cncc(Cl)c3[nH]2)c1 586951618 RJTDGNHIQQCONP-UHFFFAOYSA-N 427.711 3.482 0 1 IGAF O=C(c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1)N1CCN(CCO)CC1 587052698 IOQNEMJCJXINHM-UHFFFAOYSA-N 449.942 3.424 0 1 IGAF C[C@@H](NC(=O)CC(F)(F)F)c1nc2c(I)cnc(Cl)c2[nH]1 587092720 AKBVCTRNAKHEMK-SCSAIBSYSA-N 432.571 3.346 0 1 IGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccnc(Br)c2[nH]1 587121014 NOILXBBYRXRRNB-UHFFFAOYSA-N 441.211 3.144 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N1CCCc3cc(C(=O)O)cc2c31 587796014 ZFNYIFULQBGVGX-UZJPJQLHSA-N 445.288 3.357 0 1 IGAF COC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@]12c1c(ccc(OC)c1OC)C[C@H](C)N2C 962623081 KPNCVWJMDJJPQI-JCWFFFCVSA-N 438.568 3.471 0 1 IGAF CCOC(=O)C[C@@]1(CNC(=O)OC(C)(C)C)NCCc2cnc3c(OC)cccc3c21 963055614 JVXGNVRHKJYXFP-QHCPKHFHSA-N 429.517 3.062 0 1 IGAF COc1cc(OC)cc(-c2cnc3cnc(-c4ccc(N5CCN(C)CC5)nc4)cn23)c1 1857582482 TZBURONMPVRKEB-UHFFFAOYSA-N 430.512 3.227 0 1 IGAF O[C@H]1CCN(Cc2nc(C3(O)CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cs2)C1 2356290313 PIAMOKBTTBOYCM-KRWDZBQOSA-N 441.519 3.212 0 1 IGAF CSC(=O)N1C(=O)C2(CCC2)[C@@H]2[C@@H]1CCN2C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 3649684 LGNHXRXMDBKLQF-KKUMJFAQSA-N 439.578 3.001 0 1 IGAF O=C(O)[C@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1ccc(Br)cc1 13807303 ZMELRSSTECEKFZ-GDBMZVCRSA-N 435.322 3.247 0 1 IGAF COc1ccccc1O[C@H](c1ccc(I)s1)[C@@H]1CNCCO1 28881342 TUMPGFWCYJFORL-BBRMVZONSA-N 431.295 3.470 0 1 IGAF COc1ccc(C(c2ccc(OC)cc2)[S@@](=O)CCN2CCC[C@@H](C(=O)O)C2)cc1 28902789 DLBMGJDSMCTQQN-HZAQMHFWSA-N 431.554 3.339 0 1 IGAF C[C@@H](O)C/C=C/C=C/C=C/C(=O)O[C@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 49033470 ZHQUHDHFPDBIHU-LMNIHNIZSA-N 430.541 3.398 0 1 IGAF O[C@@H]1[C@@H](CF)O[C@@H](c2ccc(Cl)c(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@H]1O 66251961 FGQFKXHQFWQZRX-QSWMPLQWSA-N 439.892 3.139 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2ccco2)C1 82199390 YWELNZCXWQGFKW-QZTJIDSGSA-N 430.501 3.013 0 1 IGAF Cc1cccc(C(=O)NCc2noc(-c3c4ccccc4nn3CCn3ccnc3)n2)c1 117047711 YCUWFLCAOGSVGA-UHFFFAOYSA-N 427.468 3.221 0 1 IGAF C[C@@](CC1CC1)(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)c1noc(N)n1 146282236 HENXHPDWLKXPPX-SFHVURJKSA-N 425.411 3.311 0 1 IGAF CC(C)(CO)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)cn1 149889190 NSINMKSRVIVOBT-UHFFFAOYSA-N 431.500 3.170 0 1 IGAF Cc1nn(C(=O)N(C)C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 261079082 BIQYOSNHGNQSTQ-SFHVURJKSA-N 439.903 3.132 0 1 IGAF COc1ccccc1N1CCN(C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@]4(C)[C@@H](O)[C@H]32)CC1 504176476 ZXBPYNJHTIRHRM-DTHCMDSZSA-N 440.584 3.102 0 1 IGAF biogenic CNS(=O)(=O)c1ccc(CCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)cc1 586946304 JMOAGLDOEAIFLM-UHFFFAOYSA-N 434.390 3.305 0 1 IGAF COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(O)nncc5[nH]4)[nH]c23)cc1 586953430 OKNNKWPIAZWSHB-UHFFFAOYSA-N 436.453 3.016 0 1 IGAF CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@H]2CN1C(=O)OC)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 587443942 NEVUKSQXIJXPSV-PMJIQBIXSA-N 443.496 3.002 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OCC 587476590 PZYOVLIORVVXGO-WAIKUNEKSA-N 433.501 3.479 0 1 IGAF CCc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2CC(=O)O 587776229 VSWRMQXXMXKRKL-MQJDWESPSA-N 447.304 3.360 0 1 IGAF COc1ccc(CNc2ncnc3c2ncn3[C@H]2C[C@@H](NC(=O)c3cccc(C)n3)C2)cc1 1772593962 WNKSXKVPTVZVFY-HDICACEKSA-N 443.511 3.284 0 1 IGAF CC(C)(C)N1CCN(C(=O)c2ccnc(Nc3nc4cc(NC5CC5)ncc4[nH]3)c2)CC1 1857559236 IDDCJXJZGVURAE-UHFFFAOYSA-N 434.548 3.227 0 1 IGAF COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CNC(=O)COCC(=O)O)C=C3C)[nH]c2c1 2356519130 OGMLPJGOLSEZLD-SCTDSRPQSA-N 443.544 3.186 0 1 IGAF Cc1c(Cl)cnc(NC(=O)COC(=O)[C@H](NC(=O)c2ccco2)C(C)C)c1Cl 2633774 BELLOUTXMCRZJZ-OAHLLOKOSA-N 428.272 3.226 0 3 IGAF CC(=O)Oc1ccc2c3c1O[C@H]1[C@H](SC(C)=O)C=C[C@@H]4[C@@H](C2)N(CC2CC2)CC[C@@]341 3779240 CGBBASLLYGTYNG-ZACCFUKXSA-N 425.550 3.485 0 1 IGAF CNc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NC1CCCCC1 4222506 DQXYMSQWWIUTBA-MVAUCRKUSA-N 435.634 3.439 0 1 IGAF biogenic CN(C(=O)Cc1cc(Cl)c(Cl)cc1NC(=O)CN)[C@H]1CCCC[C@@H]1N1CCCC1 6017887 NMMWAQQUKDRFRP-OALUTQOASA-N 441.403 3.299 0 1 IGAF CN(C)CCN1C(=O)c2cccc3cc(NC(=O)C(Cl)(Cl)Cl)cc(c23)C1=O 28712238 STPZPMVTOLASHU-UHFFFAOYSA-N 428.703 3.306 0 1 IGAF CNC(=N)N[C@@H]1CCCC[C@@H]1CC[C@H](O)C[C@@H](CCc1ccc(O)c(OC)c1)OC(C)=O 85628382 ZZZMBMVXJJSIBR-PLACYPQZSA-N 449.592 3.099 0 1 IGAF biogenic,in-vitro C[C@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@@H](OCc2ccc(CO)cc2)C1 95784303 MOBRIWPYBFXAMB-NBGIEHNGSA-N 436.552 3.306 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccn1)CC31CCN(C(C)=O)CC1 95865008 XCYLFIMMFVLLSC-JOCHJYFZSA-N 434.540 3.001 0 1 IGAF O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(Cl)cc1 95904818 RXKHTODQLXZGSD-AHRSYUTCSA-N 449.910 3.216 0 1 IGAF Cc1ccc(-n2ncccc2=O)cc1NC(=O)C1=CN(C)C(=O)C[C@H]1c1ccc(F)cc1 118029085 HQLMJECBRCXITN-IBGZPJMESA-N 432.455 3.148 0 1 IGAF O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)nc12)N1CC[C@H](O)C1 118388606 LIVISHFAOAESEN-KBXCAEBGSA-N 444.898 3.462 0 1 IGAF CCOC(=O)Cc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 169698265 PXPZGMHSPOWBHY-UHFFFAOYSA-N 445.570 3.242 0 1 IGAF c1cc2c3cnc(Nc4ccc(NC[C@@H]5COCCN5)nn4)nc3n(C3CCCC3)c2cn1 169706684 AYVQZFAABNRPNP-OAHLLOKOSA-N 445.531 3.029 0 1 IGAF O=C1COc2ccc(-c3cccc(OC[C@@H](O)CN4CCc5ccccc5C4)c3)cc2N1 218394005 XWWCODUZDKAVJC-QFIPXVFZSA-N 430.504 3.483 0 1 IGAF CCOC[C@@H]1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)C1 261191110 ZFQKMWRZWKKMCS-MRXNPFEDSA-N 438.528 3.449 0 1 IGAF COc1ccc(NC(=O)C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cn1 587655559 MXALKBMMTPEOPA-UHFFFAOYSA-N 436.374 3.024 0 1 IGAF O=C1C[C@H](C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)CN1Cc1ccco1 587660953 JSLDBIQVGZLHGO-INIZCTEOSA-N 431.423 3.485 0 1 IGAF CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587753468 HGCCFTCABRNAKF-ASSNKEHSSA-N 449.320 3.045 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1SCC2(CO)CO 587853535 AEQUGHKEZNPTPO-FKIZINRSSA-N 438.362 3.443 0 1 IGAF CCOC(=O)[C@H](C)[C@@]1(CC(C)=O)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963192123 YKNPNNMUHFGXDE-CRPGXEFLSA-N 435.826 3.331 0 1 IGAF O=C(CNC(=O)c1cnc2[nH]cc(-c3ccncc3)c2c1)NCCc1c[nH]c2ccccc12 1857571019 VRMDQFRYRNFLIN-UHFFFAOYSA-N 438.491 3.195 0 1 IGAF O=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCCC[C@H]1Cc1ccccc1 1857607422 LALNQXBBSHPDLH-QHCPKHFHSA-N 449.599 3.153 0 1 IGAF O=C(Cc1ccc(Cl)cc1)N1CCN(c2ncnc3[nH]cc(Br)c23)CC1 1857759063 NCCGYJLNZVCYJX-UHFFFAOYSA-N 434.725 3.265 0 1 IGAF CC(=O)O[C@H]1[C@@H]2[C@@]3(C)CCC[C@@]2([C@@H]2OCCN2C3=O)[C@H]2CC3CCC2(CC3)[C@H]1OC(C)=O 2356433317 GZHPXFIYJDGMKK-AUOUWWQRSA-N 445.556 3.051 0 1 IGAF COc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@@H](NC(=O)c4ccco4)C[C@H]2C(=O)N3)cc1 2356814922 CMMSJIYCPLMQLY-UTKZUKDTSA-N 445.475 3.311 0 1 IGAF Cn1cc2c(nc(NC(=O)Nc3ccc4ccccc4n3)n3nc(-c4ccco4)nc23)n1 13683618 GOHBLZKJZRMREF-UHFFFAOYSA-N 425.412 3.463 0 1 IGAF CCOC(=O)/C=C/[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 29125826 PBHPSVVNMPBTQA-QKFVEJEJSA-N 448.560 3.478 0 1 IGAF CN(C)C(=O)c1cccc(-c2cc(N3C[C@@H](N)[C@H](c4cc(F)c(F)cc4F)C3)ncn2)c1 36310977 LUCRWOVIRFVMSM-OXJNMPFZSA-N 441.457 3.194 0 1 IGAF Nc1ccccc1NC(=O)c1ccc(N2C[C@@H]3C[C@H]2CN3C(=O)CCc2ccccc2)nc1 36338726 OZIQEHMZAWLRBB-SFTDATJTSA-N 441.535 3.338 0 1 IGAF CNC(=O)c1cnc(N2CCN(c3nc4cc(C(F)(F)F)ccc4[nH]3)CC2)c(Cl)c1 38157623 QGXMBSXNWDTFRF-UHFFFAOYSA-N 438.841 3.316 0 1 IGAF CCc1cccc2nc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)oc(=O)c12 43061180 UKDHSIYUBSOPCS-UHFFFAOYSA-N 433.556 3.029 0 1 IGAF CC(C)c1ccc(CN2CCN(Cc3cc(C(C)C)ccc(O)c3=O)CC2)c(=O)c(O)c1 49088927 YBQUUSDEWWPZGD-UHFFFAOYSA-N 438.568 3.383 0 1 IGAF CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1 55398736 NEBILTDHZWSWJN-NHCUHLMSSA-N 433.980 3.422 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 82191094 HLHGFVHKPWBERN-BZBSQGPISA-N 436.552 3.377 0 1 IGAF COCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 105236910 DRUARFIXFXSPBJ-IBGZPJMESA-N 442.560 3.042 0 1 IGAF C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1cccc(Cl)c1 117821043 AANRSYZELJWBMF-FSKGUYTJSA-N 437.891 3.310 0 1 IGAF CN(C)C(=O)c1cc2ccc(Nc3nccc(-c4cc(OCCCO)ccn4)n3)cc2[nH]1 145266042 HYAWMSZPSLQTKJ-UHFFFAOYSA-N 432.484 3.227 0 1 IGAF O=C(O)CCCNC(=O)c1ncc2cc(NC(=O)Nc3ccc(F)cc3)ccc2c1O 146672006 DDUNMUYEKBOLSN-UHFFFAOYSA-N 426.404 3.318 0 1 IGAF O=S(=O)(Nc1ccc(F)cc1)c1ccc(-n2cc(C[C@H](O)CO)c3ccccc32)cc1 146870012 OCGFKSGAKUPPQD-FQEVSTJZSA-N 440.496 3.466 0 1 IGAF CN1CCC(NC(=O)c2ccc(Nc3nccc(Nc4cc(C5CC5)n[nH]4)n3)cc2)CC1 169104970 ZROOOOHPJSJIGA-UHFFFAOYSA-N 432.532 3.388 0 1 IGAF CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OCCF)ncc1C(F)(F)F 169705160 GAXMKVRQFVQNEI-UHFFFAOYSA-N 443.401 3.101 0 1 IGAF COc1ccc([C@@H]2CN=C3C(=O)c4ccn(S(=O)(=O)c5ccc(C)cc5)c4C(=O)[C@H]32)cc1 169729565 BXBHAIYRHGALLG-PMACEKPBSA-N 448.500 3.276 0 1 IGAF COc1ccc(Cn2nc(C#Cc3nc4cc(Cl)ccn4n3)nc2N2CCCC2)cc1 217556740 XIKYQRBLDXPOIV-UHFFFAOYSA-N 433.903 3.031 0 1 IGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnc(-n4cccn4)nc3)c2cn1)c1ccccc1 219756951 HLUFPHTVGKKWCG-CQSZACIVSA-N 425.456 3.483 0 1 IGAF Cc1nc(-c2[nH]c(CNc3cccc(C(N)=O)c3)nc2-c2ccc3ncnn3c2)ccc1F 473154249 FSKCIMXTQXGDSC-UHFFFAOYSA-N 442.458 3.340 0 1 IGAF COC(=O)c1cc(Br)c2[nH]c(CS(=O)(=O)c3ccc(OC)cc3)nc2c1 586920890 UGUDHXAMHYUXTK-UHFFFAOYSA-N 439.287 3.095 0 1 IGAF O=C(N[C@H](Cc1nc2cc(Br)c(F)cc2[nH]1)C(=O)O)OCc1ccccc1 587204102 URIAZGWJAQULSF-OAHLLOKOSA-N 436.237 3.387 0 1 IGAF CCOC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437631 LDJRWXXYQUFGEO-QABPDZFRSA-N 431.485 3.002 0 1 IGAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(S(=O)(=O)N3CCOCC3)c1)CC2=O 587490517 HJCPZWVKIKXJES-QHCPKHFHSA-N 445.537 3.246 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(C(=O)CCCC(=O)O)CC2)N1 587767635 JJTBRBJNCQFJAV-LBPRGKRZSA-N 427.314 3.195 0 1 IGAF Cc1cc(OCCn2c(O)c(CC(=O)O)c(CC(=O)O)c2O)c(C(C)C)cc1Cl 587943359 YCJKRUHGQPGEPQ-UHFFFAOYSA-N 425.865 3.318 0 1 IGAF Cc1cccc(C)c1[C@@]1(c2ccc(C3OCCO3)cc2)N[C@H](C(=O)O)Cc2c1nn(C)c2C 962704941 DYXOQSHJDFNQPM-HFZDXXHNSA-N 447.535 3.282 0 1 IGAF O=C(NCCN1CCOCC1)c1cccc(-c2cnc3ccc(-c4cccs4)nn23)c1 1857646632 BSKWNGRJFIOZOV-UHFFFAOYSA-N 433.537 3.187 0 1 IGAF O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)/C(=C/c1ccco1)NC(=O)c1ccccc1 13130229 FLPAENAULMRLDS-BHJKQYKASA-N 443.459 3.344 0 3 IGAF CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4038736 SATUJTNFSKEHMZ-OZWPHOJSSA-N 438.572 3.309 0 1 IGAF CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CNC[C@@H](O)COc1cccc2[nH]ccc12 13912521 XEIJXVBJVUYOEK-LZCXECNNSA-N 435.568 3.324 0 1 IGAF CCc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 29125651 IMLMPHATYCBIFL-HXUWFJFHSA-N 433.474 3.388 0 1 IGAF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCN3CCNCC3)nc21 29133772 WXBXPXOWTXUVBO-UHFFFAOYSA-N 447.370 3.010 0 1 IGAF N[C@@H](Cc1ccccc1)C(=O)N1CCN(CCNc2ccnc3cc(Cl)ccc23)CC1 29211896 DCKGIDATFXTMSY-NRFANRHFSA-N 437.975 3.014 0 1 IGAF CN1CCC[C@@H]1COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 82081067 QOCJBDGICMTQKF-QZTJIDSGSA-N 439.537 3.382 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1ccccc1)CC31CN(C(=O)NC(C)C)C1 95867448 SNWGCEDJSOTPHK-JOCHJYFZSA-N 448.567 3.397 0 1 IGAF C/C(CO)=C1\C[C@@](C)(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)S1 147111040 QGRKLAKCYDGEBP-CNEDASOKSA-N 425.489 3.278 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@@H]4NC(C(=O)OCC(C)C)=C(C)[C@@H]4C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169305551 LCIWAGQFSNMYED-WKENCTPSSA-N 438.568 3.035 0 1 IGAF Cc1ccsc1C(=CCCN1CCN(C(=N)N)C[C@H](C(=O)O)C1)c1sccc1C 299855214 ARKCDJOKMZAWQK-MRXNPFEDSA-N 432.615 3.460 0 1 IGAF COc1cc(Br)c([C@H](N)c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1OC 586975713 QNLWUDWYOKJLCJ-KRWDZBQOSA-N 433.306 3.093 0 1 IGAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCCN1CCOCC1 587441536 GJQCUXZBDYEQAT-KBMIEXCESA-N 439.508 3.294 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC)[C@@H](C(=O)O)C[C@H]3C1)CC2=O 587489843 WJTBCQOOHMAEGH-MFXWDZSRSA-N 431.485 3.390 0 1 IGAF COc1ccccc1NC(=O)Cc1nc(-c2ccc(N(C)S(C)(=O)=O)cc2)cs1 587923761 LSFUFUZSBMUMMF-UHFFFAOYSA-N 431.539 3.396 0 1 IGAF Cc1onc(C(=O)O)c1COc1cccc([C@@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963015535 BOYWNVKOGGJEGD-QRQCRPRQSA-N 433.464 3.403 0 1 IGAF CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3C=C(C)C[C@H](CO)CC1=O 2356797515 OAOOMDJOUWPNCG-CTDKFDODSA-N 445.600 3.238 0 1 IGAF CCOc1ccccc1CNC(=O)[C@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 9211035 SSCBORMSOZMLHE-IBGZPJMESA-N 448.571 3.484 0 3 IGAF CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@@H]1c1cccc(OC)c1 61958826 KCQFIYBAIVAWDT-HXUWFJFHSA-N 434.489 3.015 0 3 IGAF CCCn1c(=O)c2c(nc3[nH]c(-c4ccc(OC)cc4)cn32)n(Cc2ccccc2)c1=O 13648051 MOSPFLQQFAUCCI-UHFFFAOYSA-N 429.480 3.273 0 1 IGAF COc1cc([C@H]2OC[C@H]3[C@@H](c4ccc(OC)c(OC)c4)OC[C@@]32OC(C)=O)ccc1O 14506032 ZVILPMKYRJCFAE-RAKGIWIYSA-N 430.453 3.179 0 1 IGAF in-man CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]2C1=O 28123244 UPFVFWZGNRKYFG-SBYYZILYSA-N 446.496 3.390 0 1 IGAF COc1ccc(Cc2nc(NC3=NC(=O)N(C)C3=O)sc2Cc2ccc(O)cc2)cc1 28902200 BNTNNGPIKLYSCX-UHFFFAOYSA-N 436.493 3.441 0 1 IGAF CC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccc(O)cc4)n[nH]c2-3)C(=O)O1 28949204 DWBNMBDPTGJZMY-IBGZPJMESA-N 432.480 3.399 0 1 IGAF Cc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1S(=O)(=O)N1CCN(C(C)C)CC1 29038113 JJZMAUGBAQWGNV-IRLDBZIGSA-N 447.645 3.362 0 1 IGAF O=S(=O)(Cc1cccc(Cl)c1Cl)c1nc2cc(F)c(N3CCNCC3)cc2[nH]1 29050429 DRYTYYZFPGOGGU-UHFFFAOYSA-N 443.331 3.392 0 1 IGAF COc1ccc(CCNc2nc(N3CCN(C)CC3)nc3cc(OC)c(OC)cc23)cc1 82131255 ADCPWOVPLUMRFN-UHFFFAOYSA-N 437.544 3.062 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCc1cc(OC)ccc1OC 82199928 UKQSCPKUROXMDL-KWFVWFISSA-N 432.561 3.115 0 1 IGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N1CCOCC1)CC2 88261047 PHIZGZHMUCAEAL-LOSJGSFVSA-N 442.625 3.489 0 1 IGAF O=C(NC1CCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO 95795532 IKXDXEPDXROJHG-GPXNEJASSA-N 437.515 3.116 0 1 IGAF CCC(=O)N1CCC2(CC1)CN(Cc1ccccn1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 95868772 VCCRTQKEEGEPOS-JOCHJYFZSA-N 448.567 3.391 0 1 IGAF Cc1csc([C@@H](O)[C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1 199435710 KHCAGJNGBONXHY-UZLBHIALSA-N 425.558 3.181 0 1 IGAF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2nc(Br)c[nH]c-2n1 587000238 OSQJNSMAZPTRBH-UHFFFAOYSA-N 438.035 3.309 0 1 IGAF Oc1nc(NCc2ccccc2)c2nc(-c3cnn4cc(Br)cnc34)nc-2[nH]1 587009219 XRLUCBLFUGQGBV-UHFFFAOYSA-N 437.261 3.094 0 1 IGAF O=C(O)CNS(=O)(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587209182 MSKNVPXAWCZBSD-UHFFFAOYSA-N 444.468 3.476 0 1 IGAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)N3CCOCC3)cc1)CC2=O 587491760 NDZUJPQVJAKNOF-QHCPKHFHSA-N 445.537 3.246 0 1 IGAF CC1(C)O[C@@H]2CO[C@]3(COC(C)(C)O3)[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)[C@@H]2O1 587536081 RGKGTAYSWFPCTJ-ILEGPTGMSA-N 430.497 3.299 0 1 IGAF C[C@H]1CCCc2nc3nc(O)nc(O)c3cc2CCCCc2cc(O)cc(O)c2C(=O)O1 587562464 BDMMNSJVMHTHSC-LBPRGKRZSA-N 439.468 3.294 0 1 IGAF Cc1nn(-c2ccccc2)c(C)c1[C@]1(C(=O)O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962765844 NRZCPWHUFIXJHW-XMSQKQJNSA-N 443.425 3.463 0 1 IGAF COC(=O)c1nc(C)sc1[C@]1(c2cccs2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962891400 AQZBHXIKEYQDHP-XOBRGWDASA-N 432.498 3.330 0 1 IGAF CC(C)c1nn(C)c(N(C)C)c1[C@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963137754 GGAVAHCSVIYEAH-BBRMVZONSA-N 449.577 3.402 0 1 IGAF O=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCC(Cc2ccccc2)CC1 1857539129 KQFZVUUODSLGLZ-UHFFFAOYSA-N 449.599 3.011 0 1 IGAF COc1ccc(-c2cc3c(cn2)n(C)c(=O)n3-c2cc(OC)c(OC)c(OC)c2)cc1O 1857608498 DHAYDNWMJUPNCY-UHFFFAOYSA-N 437.452 3.131 0 1 IGAF Cc1nc(Nc2c[nH]nc2C(=O)Nc2ccc(N3CCNCC3)cc2)c2ccsc2n1 1857634794 FHYSIHGDJOWCFJ-UHFFFAOYSA-N 434.529 3.128 0 1 IGAF COc1ccc(CN2C(=O)[C@H]3C[C@@H](CN3C3CCN(C(C)=O)CC3)Oc3ccccc32)cc1 2356311741 DAFRMPUMVADHBM-LADGPHEKSA-N 449.551 3.075 0 1 IGAF OC[C@@H]1[C@H](O)C[C@H](NCC2CCCCC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 2356600426 LPZHBLYFKADUTE-NAVOZUGXSA-N 425.573 3.126 0 1 IGAF CC(C)(C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccccc1Cl)c1ccccc1 61904090 YZPQACLEOSFMAV-OAQYLSRUSA-N 434.945 3.114 0 3 IGAF CCOC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3ccccc3s2)c1 201486031 JWGUSHJTRWEJRI-UHFFFAOYSA-N 432.523 3.337 0 3 IGAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC 4049345 GKBGUGFPVZYPRO-ZTNFWEORSA-N 447.329 3.437 0 1 IGAF O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4110646 SYTAHICZQJWNGK-NIFPGPBJSA-N 434.399 3.121 0 1 IGAF COc1ccc(-c2oc3c(OC(C)=O)c(OC)cc(O)c3c(=O)c2OC)c(OC)c1OC 15271437 LGSBUEVZHHWMRT-UHFFFAOYSA-N 446.408 3.134 0 1 IGAF biogenic CCCOC(=O)N1CCCc2cc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)ccc21 72177925 GTBGPJOQAORMIF-LJQANCHMSA-N 443.525 3.441 0 1 IGAF CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1NC(=O)c1ccc(OC)cc1 73225043 QBSZQEVMVGSPFZ-UHFFFAOYSA-N 431.832 3.417 0 1 IGAF O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1)NCC1CCCCC1 95886083 LWYACWLHCWNNJE-YCAMKHIRSA-N 448.579 3.022 0 1 IGAF COc1ccnc(CN2CCCC3(CCN(c4cnc5ccccc5n4)CC3)C2=O)c1OC 96173129 BTWNHCWHTULPOK-UHFFFAOYSA-N 447.539 3.451 0 1 IGAF Cc1ccc(C(=O)NC2CCCCC2)cc1Nc1ncnc2cnc(N3CCOCC3)nc12 148244681 PLONLXFMQFKXSR-UHFFFAOYSA-N 447.543 3.371 0 1 IGAF CO[C@H]1CCN(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)C[C@@H]1N 169240184 RWRRKKBGTAZXGP-KSSFIOAISA-N 445.495 3.288 0 1 IGAF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3ccnn3C)[nH]c12 222325497 KIHJDLGCCGCROS-UHFFFAOYSA-N 441.499 3.074 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@H](O)[C@](CO)(CCCc4ccccc4)C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 253632539 HIHIEFXWVUQDNZ-MTNBIZBJSA-N 449.591 3.337 0 1 IGAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)s1 587013879 CYGNGLQARJFDEZ-ZDUSSCGKSA-N 436.559 3.113 0 1 IGAF C[C@]1(c2ccc(S(N)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369361 GMVSSKHHXKVAEQ-RBBKRZOGSA-N 427.453 3.453 0 1 IGAF CN(C)/C=C1\N(C(=O)C(F)(F)F)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587551345 ZWLCYGYXSRMRDI-DUTKWKGASA-N 448.397 3.290 0 1 IGAF COc1ccc([C@@]2(COCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587794616 OYBGPUQHURWHEU-MPBGBICISA-N 438.293 3.476 0 1 IGAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587950880 DVISJDYAXJOZHH-LZNRXBQRSA-N 428.577 3.359 0 1 IGAF CC(=O)C[C@]1(c2ccc3c(c2)OCCO3)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962671529 RTNSJRWAXNDPCP-UIOOFZCWSA-N 446.503 3.327 0 1 IGAF C=CC(=O)N1CCc2c([nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn23)C1 1772596075 HCRQKHQHICVPMB-UHFFFAOYSA-N 427.464 3.291 0 1 IGAF CC[C@@H](N[C@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc3c(c2)OCC(=O)N3)c1F 1772641681 IXUWJZNSNBEETR-IAQYHMDHSA-N 447.894 3.346 0 1 IGAF COc1ccc(-c2ccccc2)cc1[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1857637276 PTMQKZLTXAPFHO-QPXUXIHVSA-N 442.464 3.229 0 1 IGAF COc1cc2c(C(=O)N3CCCCCC3)cn(-c3ccc(C(N)=O)cc3)c(=O)c2cc1OC 1857645834 DNCYMNPQUSYAIA-UHFFFAOYSA-N 449.507 3.123 0 1 IGAF O=C(O)C[C@H]1CCN(Cc2ccccc2)C[C@@H]1CCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2356771251 SVJXCJROFMLTFM-LWSSLDFYSA-N 449.595 3.271 0 1 IGAF O=Cc1ccc([C@H](C2CCCC2)[C@@H]2[C@H]3C=C[C@H]4[N@]2[C@@]4(O)[C@@H]3[C@@H]2CC[C@@H]3[C@H](O)CC[C@H]3N2)cc1 2356779947 GTODSAFMWHFGPS-ZEFBAMSHSA-N 448.607 3.222 0 1 IGAF C[C@H](C(=O)NCc1cccnc1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@H]2[C@H]1O 2356850925 QBWXDMRVQPJUSD-MGJUIUIKSA-N 427.589 3.052 0 1 IGAF O=C(NCCN1CCOCC1)[C@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 13829096 HYAWSCSTPPFRAZ-YOGOOIESSA-N 426.479 3.106 0 3 IGAF CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@H]2C(=O)N2CCOCC2)cc1 769682 AVVPJKPJCNZQHF-PZJWPPBQSA-N 431.895 3.496 0 1 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@@H]1C(=O)NC[C@H](O)CC 4151926 GCCKXHZULUTDDJ-VZPUWSDOSA-N 426.513 3.463 0 1 IGAF COc1cccc(NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2)c1 13135790 GCTTWYAGMHOUCP-HBMCJLEFSA-N 439.487 3.115 0 1 IGAF O=c1cc(-c2ccc3c(c2)O[C@H](c2ccc(O)cc2)[C@@H](CO)O3)oc2cc(O)cc(O)c12 26638383 LGCYESMJMVCXLM-ISKFKSNPSA-N 434.400 3.450 0 1 IGAF CNC(=O)[C@@H](NC(=O)OC)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 29127862 MPYSWQNVJQKEJI-IBGZPJMESA-N 438.509 3.393 0 1 IGAF C[C@H](NC(=O)c1ccccc1)C(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ccccc1 73312395 SXOJFGMXGDJOOS-CVDCTZTESA-N 430.504 3.389 0 1 IGAF O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 95797878 HSPSDHYHFXIRHB-ZYUJDNHVSA-N 445.563 3.480 0 1 IGAF Cc1ccccc1-c1nn(-c2ccc(F)c(F)c2)cc1CNCCN1CCN(C)CC1 96938539 ZKISFLMCKNMGLB-UHFFFAOYSA-N 425.527 3.463 0 1 IGAF Cc1onc2c1C[C@]1(CC2)Cc2ccc(-c3cccc(C#N)c3)cc2[C@@]12N=C(N)N(C)C2=O 140634273 KETJJWVTEIRQBP-UIOOFZCWSA-N 437.503 3.235 0 1 IGAF CCOc1cc([C@H]2NC(=O)N[C@H](c3cnn(C)c3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O 169688232 MZVLUZLLWRFEMJ-KZNAEPCWSA-N 442.497 3.163 0 1 IGAF C/C=C(\C)C(=O)O[C@@H]1C[C@@](C)(OC(C)=O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@](C)(OC(C)=O)[C@@H]21 238778644 WXAJADWYCXGFFJ-ZKAARWLASA-N 448.512 3.036 0 1 IGAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(S)nc(S)nc2[nH]1 586939780 WYQAEHADODLJIL-JTQLQIEISA-N 429.980 3.259 0 1 IGAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3c(C)ccc(C)c3[nH]2)cc1 586940594 YDOOFDZAPQVYFT-SFHVURJKSA-N 426.542 3.130 0 1 IGAF CC[C@H](C)n1ncc(I)c1-c1nc2cc(S(C)(=O)=O)ccc2[nH]1 587179886 AVBLRVVJYYEYTD-VIFPVBQESA-N 444.298 3.406 0 1 IGAF COC1(C)CN(C(=O)c2ccc3c(N)ncc(-c4ccc(-c5cnn(C)c5)cc4)c3n2)C1 653823799 BIPBLKIGJHZBND-UHFFFAOYSA-N 428.496 3.140 0 1 IGAF CC(C)(C)OC(=O)N1CC[C@H](F)[C@@]2(C1)N[C@@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962640634 PNEWFIUDDNTTRJ-VCBZYWHSSA-N 448.413 3.358 0 1 IGAF CNC(=O)c1cccc(Nc2ncnc(N3CC(COCc4ccc(Cl)cc4)C3)n2)c1 1772586884 GFPVSLFFSHDPSE-UHFFFAOYSA-N 438.919 3.281 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CN(c4nc5cc(C)ccc5o4)C[C@@H]3C2)c1 1772602235 QLPFNAYKQHZTPZ-HDICACEKSA-N 428.496 3.234 0 1 IGAF Cc1cc([C@H]2CN(Cc3c(C)cccc3F)C[C@@H]2N(C)C)ccc1C(=O)NCCN(C)C 1772608824 JQZYUQKJNFOBTE-NOZRDPDXSA-N 440.607 3.264 0 1 IGAF C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(N2C(=O)CC[C@H]2C(=O)O)cc1 1857547151 XDBBSWVUWZTYND-QRWLVFNGSA-N 432.480 3.158 0 1 IGAF COc1cc(N2CCOCC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2 1911573106 XGGRRICOJPCUKY-UHFFFAOYSA-N 432.484 3.399 0 1 IGAF COc1ccc(/C=C/C(O)=C2\C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1OC 101739154 XHOWOIUPYSRPDA-NRRWAGCZSA-N 426.469 3.498 0 3 IGAF COc1ccc2cc(CN[C@H]3CCS(=O)(=O)C3)c(-c3ccc(OC)c(OC)c3)nc2c1 12080147 FPCWXUGASISLOA-SFHVURJKSA-N 442.537 3.204 0 1 IGAF CCC[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)cc1 28456610 VAYCUXJIBUGGKR-OAHLLOKOSA-N 435.933 3.302 0 1 IGAF 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C[C@]1(CO)[C@H](O)CC[C@]2(C)[C@@H](CC(=O)O)C3=C(C[C@@H]12)S[C](NCc1ccccc1)N3 2356859002 WGLAFNBGTRVYKD-PDFPCBJNSA-N 431.578 3.042 0 1 IGAF CS(=O)(=O)N1CCCC[C@@H]1c1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)no1 61905919 OMQZKPXINSHKAL-OAHLLOKOSA-N 432.329 3.398 0 3 IGAF C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 8690832 FAZJCISVJRFNEM-JENIJYKNSA-N 428.554 3.422 0 1 IGAF COc1ccccc1N1CCN(CCN(C)C(=O)[C@H]2CCCc3c(OC)cccc32)CC1 13757331 ZHOHSCVJNOKADU-QFIPXVFZSA-N 437.584 3.404 0 1 IGAF CCOC(=O)c1cc(CCn2cnc3c2NC=NC[C@@H]3O)c2c(c1OC(C)C)CCCC2 13861954 OPUDRWIUDPULFE-FQEVSTJZSA-N 440.544 3.456 0 1 IGAF Cc1ccccc1N1CCN(C[C@@H](O)c2ccc(O)c(C(=O)NCC(C)(C)C)c2)CC1 27074477 MTCMWLZKYJYVBZ-HSZRJFAPSA-N 425.573 3.332 0 1 IGAF O=S(=O)(c1ccc(F)cc1F)n1cc(Cl)c2cc(CN3CCNCC3)ccc21 71280703 YUKIKOBMXGRCTM-UHFFFAOYSA-N 425.888 3.215 0 1 IGAF CN[C@@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)c4c(O)nsc4n(C4CC4)c3c2OC)C1 71297070 SOJRULJEVFPUAA-WDEREUQCSA-N 432.521 3.234 0 1 IGAF 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NS(=O)(=O)c1cccc(-c2nc(N=c3cc(C4CC4)[nH][nH]3)c3cc(Cl)ccc3n2)c1 1857744348 SRLXDMXPMLHYFH-UHFFFAOYSA-N 440.916 3.364 0 1 IGAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)COc3ccccc3)[C@H](C)[C@@H]2[C@@H]1O 2356310761 JIZHSBSZGMDDPU-OAOKFLCBSA-N 442.600 3.288 0 1 IGAF CCOC(=O)[C@@H](C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCC(C)CC1 6725307 CXDCCBGUIJJKJW-GJHAAPPPSA-N 427.545 3.089 0 1 IGAF CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cc(NC(=O)/C=C/C=C/c3ccccc3)ccc2N1C 13493068 FVAXDGYVTFLTOT-LYCQKIAQSA-N 433.552 3.389 0 1 IGAF C[C@@H](N)[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1 13885184 FMCDYELTNVWSIK-ZJUUUORDSA-N 427.398 3.366 0 1 IGAF CC(C)[C@H](NC(=O)OCc1ccccc1)[P@@](=O)(O)C[C@H](C(=O)O)c1cccc(CN)c1 16052376 SFUOOKBZBVUDBC-VQTJNVASSA-N 448.456 3.492 0 1 IGAF in-vivo C[C@@H](NC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(=O)O 29126346 OJPHTSOMTCBSRQ-KGQOEIRESA-N 438.568 3.440 0 1 IGAF Nc1nc(-c2ccc3c(N)[nH]nc3c2)cc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 71277197 CQRFXINTEFATOH-HNNXBMFYSA-N 428.500 3.039 0 1 IGAF O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1cccnc1 95894609 DCPQWCYFROYRQR-WPFOTENUSA-N 446.482 3.171 0 1 IGAF O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@H]1O2 95900773 IZLHCVQHHLSMHG-HWZPKBPFSA-N 442.556 3.259 0 1 IGAF Nc1ncc(-c2cccc(OC(F)(F)F)c2)nc1C(=O)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 101503416 KACWONWCFCFZRJ-DGWQUCQBSA-N 448.445 3.294 0 1 IGAF NCCCCCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 168401782 PYKQFMTWCSFAKN-FCGDIQPGSA-N 446.389 3.461 0 1 IGAF CCOC(=O)[C@@H]1[C@@H](c2cccnc2)c2c(c3ccccc3oc2=O)O[C@@]1(O)C(F)(F)F 169292149 YWAXFLVENYPTCU-DKICVRJWSA-N 435.354 3.143 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N(C)C[C@H]4CCOC4)n3)C2)cc1 261080523 BQSTZPOZQBHLGX-JXHRLWIKSA-N 438.572 3.409 0 1 IGAF CCC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 261162713 RDKUYJBFPLYARR-YJBOKZPZSA-N 433.503 3.423 0 1 IGAF Cc1ccc(O)c2c3c(nn12)CC[C@](C)(NC(=O)c1ccc(-n2cnnc2)cc1Cl)C3 299855830 BQVKWMJDJBXRFT-QFIPXVFZSA-N 436.903 3.260 0 1 IGAF CCn1ncc(Br)c1C(=O)c1c(CO)oc2cc(Br)cnc12 587273521 KWTDYOCHUAGVEM-UHFFFAOYSA-N 429.068 3.293 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 587414542 VUIZKKBEAGQZKC-XUZZJYLKSA-N 433.416 3.258 0 1 IGAF COC(=O)c1cc([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)ccc1OC 962697925 MSTHHLTWKIBZSO-DOTOQJQBSA-N 427.350 3.328 0 1 IGAF COc1ccc(OC)c([C@]2(c3ncco3)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c1 963230134 WJFCDWDGKCDKAP-RDPSFJRHSA-N 431.448 3.131 0 1 IGAF NC[C@@H](NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F)c1ccccc1 1772602925 ZYUZJTDLWADKSL-HXUWFJFHSA-N 435.503 3.189 0 1 IGAF COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3C(=O)CS(C)(=O)=O)cc2)cc1 1857645886 SLZVJQPKZGCZCI-UHFFFAOYSA-N 444.530 3.422 0 1 IGAF CC=CC=CC[C@@H]1C[C@H](O)[C@@H]2[C@@H]3C(C)=C[C@@H]4C=C[C@H](O)[C@H](O)[C@@H]4C(C)=CC=C[C@H]3C(=O)N21 2356694763 HFNMIOGEGCXSJX-NFQGBTQSSA-N 437.580 3.072 0 1 IGAF O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1c(F)cccc1Cl 4296555 NJKISMCSQQBBOR-IEBWSBKVSA-N 441.286 3.349 0 1 IGAF COc1cc(OC)nc(O[C@@H](C(=O)O)C(OC)(c2cccc(F)c2)c2cccc(F)c2)n1 13756034 WAZSLZZZKKHKKE-IBGZPJMESA-N 446.406 3.194 0 1 IGAF COc1cc2c(c(OC)c1OC)C[C@H]1COC(=O)[C@@H]1Cc1c-2cc(OC)c(OC)c1OC 14715076 ZSPMNJCSHBZQPT-QWHCGFSZSA-N 444.480 3.293 0 1 IGAF biogenic Cc1nnsc1C(=O)N1CCOc2ccc(CN3CCN(c4ccccc4)CC3)cc2C1 14972421 GTUQMJYCYCEWIF-UHFFFAOYSA-N 449.580 3.204 0 1 IGAF O=C([C@@H]1CCCN(c2nc3ccccc3n3cccc23)C1)N1CCN(c2ccccn2)CC1 20489965 BLOUMOJWSIWBTR-HXUWFJFHSA-N 440.551 3.448 0 1 IGAF COc1c2occc2c(OC)c2c(=O)c(CN3CCN(C)CC3)c(-c3cccnc3)oc12 28712693 RRLAGHBPHZEZGF-UHFFFAOYSA-N 435.480 3.366 0 1 IGAF Cn1cc2c(nc(NC(=O)Cc3ccc(C(F)(F)F)cc3)n3nc(-c4ccco4)nc23)n1 45300238 WHPZFJZIANMYCZ-UHFFFAOYSA-N 441.373 3.471 0 1 IGAF CO[C@]12CC[C@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CCCF)[C@H]2O5 100660215 XNKPKLJCHQDNQO-GZFHFYRZSA-N 431.548 3.337 0 1 IGAF CC1(C)C[C@@H](Nc2cccc(C(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2)CCO1 217067967 DBYGPTSKSLPALC-ZEQRLZLVSA-N 437.584 3.205 0 1 IGAF CC(C)(C)CC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 473133127 XXVQFNBYTCFFOV-UHFFFAOYSA-N 429.492 3.259 0 1 IGAF NC(=O)C[C@]1(C(=O)O)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587332235 FQEAWWJRPJHCSO-VJBMBRPKSA-N 427.428 3.149 0 1 IGAF CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587435702 IHFHFRZSBVPLSX-NXHTTZLHSA-N 431.485 3.002 0 1 IGAF CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587581001 UOHJPQWVVNPVQE-IEXUWNMDSA-N 439.464 3.092 0 1 IGAF COc1ccc(CN2CCN(CC(=O)Nc3nc4ccc(OC)cc4s3)CC2)cc1 1772578892 FLKQAGAXTWXTPK-UHFFFAOYSA-N 426.542 3.070 0 1 IGAF COc1ccc(Nc2nc(Cl)nc(Nc3ccc(N4CCOCC4=O)cc3)n2)cc1 1857635831 HMLAPCMRJADLSK-UHFFFAOYSA-N 426.864 3.384 0 1 IGAF N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 1857637268 OVPJONRRWMAOIO-LGVFNWMJSA-N 431.540 3.026 0 1 IGAF COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccc(F)cc3)[C@H](O)[C@H]2[C@@H]1C 2356319449 HHGXTSXUJYDGEM-NZSRENRPSA-N 448.579 3.033 0 1 IGAF O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3ccccc3)C2)cc1)C1CC1 13859882 INULYJUFVOFQOR-FQEVSTJZSA-N 428.554 3.101 0 1 IGAF Cc1cc(O)c2c(C)c(CC(=O)N[C@H](CSCc3ccccc3)C(=O)O)c(=O)oc2c1 15956370 BOPMWIMBNJCYDZ-QGZVFWFLSA-N 441.505 3.161 0 1 IGAF biogenic COc1c(N2CCc3sc(CO)cc3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 28821934 IOPHTJCXHLSPLQ-UHFFFAOYSA-N 444.484 3.299 0 1 IGAF Fc1ccc(Cn2c(NC3CCN(CCN4CCOCC4)CC3)nc3ccccc32)cc1 29564028 PHPVGAUBBVEUOV-UHFFFAOYSA-N 437.563 3.432 0 1 IGAF O=C1NCc2c1c1c(c3c2c2ccccc2n3CCO)CCc2cc(OCCO)ccc2-1 40861741 KMDXLYPMCPQPCS-UHFFFAOYSA-N 428.488 3.167 0 1 IGAF O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)Cc4ccccc4)CC3)c(F)cc2c1=O 45285613 MCHWLYWNFPCBCG-UHFFFAOYSA-N 449.482 3.065 0 1 IGAF COC(=O)N1C[C@H]2[C@@H](N3CCCC3)CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1 49112771 OMVSGZSRXSCVQR-MNEFBYGVSA-N 440.371 3.442 0 1 IGAF CC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3cnc(-c4ccsc4)nc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 64560069 RKINBQSFJNTDGP-ADAARDCZSA-N 446.956 3.382 0 1 IGAF COc1ccc(-c2csc(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C)cc3)n2)cc1 84672427 SLDWMTDVBWFVSC-CQSZACIVSA-N 431.539 3.433 0 1 IGAF CCNc1nc(Nc2cc(F)c(C(=O)NCC(C)(C)O)cc2OC)ncc1C(F)(F)F 95575173 UYQLYSMBAALBIQ-UHFFFAOYSA-N 445.417 3.319 0 1 IGAF COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCOCC2)[C@@H](CO)N3C)cc1 95603009 JOIATRKTNHHHEU-GPUOULLFSA-N 436.552 3.489 0 1 IGAF CO[C@H](CN(C)CC1CCOCC1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO 95899195 IUSZJOKEOVUDOA-NPPFBWRTSA-N 439.572 3.050 0 1 IGAF CC(=O)Oc1ccc(/C=C/S(=O)(=O)NCCCCc2ccccc2)cc1OC(C)=O 96917402 WJOLLJXQQVRXIF-FYWRMAATSA-N 431.510 3.450 0 1 IGAF COC(CC(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)OC 100636995 NHBMMGZVRHNZSX-BGYRXZFFSA-N 445.604 3.303 0 1 IGAF COCCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2C)CC3)cn1 169702291 JCAAMQRXYNGMRD-UHFFFAOYSA-N 429.528 3.461 0 1 IGAF O=C(O)CCNC(=O)c1ncc2c(cc(-c3cccs3)c(=O)n2Cc2ccccc2)c1O 169711012 HCCGOFZKEXWTBN-UHFFFAOYSA-N 449.488 3.083 0 1 IGAF O=C(c1ccccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-c2nccs2)c1 205655437 FYEWZQAALXXWSM-LJQANCHMSA-N 431.521 3.475 0 1 IGAF Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(N3CC[C@@H](F)C3)n2)n1 223515436 JVNSJOMOSKNWOV-BRWVUGGUSA-N 432.507 3.380 0 1 IGAF CC(C)(C)Cc1nc2cc(S(=O)(=O)C3CCN(C(N)=O)CC3)ccc2n1CC1CC1 299821225 BWDNRDDPBZNHQX-UHFFFAOYSA-N 432.590 3.352 0 1 IGAF O=[S@](CCCc1nc2c(S)nc(S)nc2[nH]1)c1ccc(Br)cc1 586959128 LOKVWEQRVORNAO-HSZRJFAPSA-N 429.390 3.433 0 1 IGAF O=C(O)CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(F)cc21 587570596 LSZKZDFZRCFHET-HYBUGGRVSA-N 449.390 3.210 0 1 IGAF COc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)S[C@H]2CCN)cc1 653830233 QVOHKXJSSDTGGL-IBGZPJMESA-N 431.525 3.419 0 1 IGAF Cc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F 1857774059 XDZIJCHVYKDWOS-UHFFFAOYSA-N 428.420 3.144 0 1 IGAF CC(C)C[C@@]1(O)C[C@H](C)[C@@H]2[C@H]1C(=O)[C@H]1[C@@H]3[C@H](O)[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356703139 NXIUUQKBFNWMSY-CTTITEQZSA-N 448.644 3.170 0 1 IGAF O=C1N[C@@H]2CS[C@H](CCCCC(=O)N3CCCC[C@@H]3c3nc4ccccc4[nH]3)[C@@H]2N1 2356759965 MSZOZNMULIEBGL-SOAMZJECSA-N 427.574 3.342 0 1 IGAF CCCC(C)(C)C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccc(Br)cc1 61906782 JWQCUGIBOAVQFF-GOSISDBHSA-N 445.379 3.071 0 3 IGAF c1ccc2c(c1)c1cc[n+]2CCOCC[n+]2ccc(c3ccccc32)NCCOCCN1 3961441 QMQBICFLWMLIBB-UHFFFAOYSA-P 430.552 3.139 0 1 IGAF Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCc1cc(Cl)ccn1 13493141 XEELLDSGGACWLV-UHFFFAOYSA-N 447.873 3.120 0 1 IGAF CCC1(CC)C(=O)N(C(=O)NCc2ccc3c(c2)OCO3)[C@H]1Oc1ccc(C(=O)O)cc1 27207101 NIXWODLMZOUNNT-NRFANRHFSA-N 440.452 3.377 0 1 IGAF COC(=O)/N=c1/[nH]c2ccc([C@]3(O)c4ccccc4C(=O)N3CC3CCCCC3)cc2[nH]1 38254021 NGUVWMRBZXOIOT-DEOSSOPVSA-N 434.496 3.393 0 1 IGAF CC(=O)OCCN1C(=O)c2cc3ccc4c(c3c(-c3ccc5c(c3)OCO5)c2C1=O)OCO4 45373042 XRGFYJYDRRMNGW-UHFFFAOYSA-N 447.399 3.123 0 1 IGAF CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2cc(C(F)(F)F)cnc2C1 66260124 FMDCETZXKXBSAU-UHFFFAOYSA-N 428.432 3.447 0 1 IGAF O=S(=O)(NCCCN1CCN(c2cccc(Cl)c2)CC1)c1cnc2ccccc2c1 73274654 MUJWZHBKJMSDHD-UHFFFAOYSA-N 444.988 3.379 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3cccc(C)c3)n2)CC1 82146661 SSCNHGKLPZDYOW-RTBURBONSA-N 435.572 3.239 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@@H](C)NC[C@H]1C 95679199 UUJUQZMUGCCRQO-DRSNIGMVSA-N 446.592 3.234 0 1 IGAF COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCC5)CC(=O)N4[C@H]3CO)cc2)c1 95797781 FBPIARHAZXJNRG-CUYJMHBOSA-N 434.536 3.050 0 1 IGAF COc1cccc(NC(=O)N2CC3(C2)[C@H](c2ccccc2)[C@H](CO)N3C(=O)C2CCCC2)c1 95798372 FEUCFKRSNRQVKL-XZOQPEGZSA-N 449.551 3.459 0 1 IGAF CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 95873663 QXERRVTTWGDQIQ-GSLIJJQTSA-N 449.595 3.217 0 1 IGAF COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1N1C[C@H](C)N[C@H](C)C1 96913691 YVFFXPPCYCZALQ-OKILXGFUSA-N 438.507 3.115 0 1 IGAF COCCOc1ccc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NC3CC3)c2n1 115191522 DJADXHQZNZDUAO-LJQANCHMSA-N 439.491 3.127 0 1 IGAF CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccc(OC)cc1)[C@@H](N)CC2 142942929 RQRVBVNZUOPMLY-PKTZIBPZSA-N 432.586 3.003 0 1 IGAF COc1ccc(OC)c(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1 167433059 QHVFREQLGJYQLY-UHFFFAOYSA-N 447.535 3.229 0 1 IGAF CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2c(=O)n1-c1cccnc1 222493895 CFNXEIAWRNKDKX-UHFFFAOYSA-N 428.496 3.272 0 1 IGAF CCOC(=O)Cc1csc(NC(=O)N2CCC(N3CCc4ccc(F)cc43)CC2)n1 225006210 DIAWYPGIDKPWRP-UHFFFAOYSA-N 432.521 3.447 0 1 IGAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 587041086 VTFIUTIOLVAATG-GOSISDBHSA-N 431.539 3.253 0 1 IGAF CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc6cn[nH]c6cc5[nH]4)nc3n2)cn1 587129021 AQOUUAVBJIUFTK-UHFFFAOYSA-N 448.441 3.483 0 1 IGAF COc1cccc(C2(c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)CCCC2)c1 587932502 FQHQZSRGRZFJGY-UHFFFAOYSA-N 441.553 3.453 0 1 IGAF CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cc(N)ccc3s2)CC1 653807578 UGLNHDPIRXIGBW-KRWDZBQOSA-N 440.602 3.248 0 1 IGAF COc1cc2nccc(Oc3ccc(NC(=O)CN4CCN(C)CC4)cc3)c2cc1OC 1178951820 OOAOEPGEYNTKTR-UHFFFAOYSA-N 436.512 3.230 0 1 IGAF CN1CCc2c(C3=CCN(S(C)(=O)=O)CC3)[nH]c3nccc(c23)-c2cc(F)ccc21 1772571328 BDILYQKHTUIRIQ-UHFFFAOYSA-N 426.517 3.410 0 1 IGAF COc1cc(Cn2cc(CNC(=O)c3cn4c(n3)sc3ccccc34)nn2)cc(OC)c1 1772648716 MJOLZMIOVTVHNZ-UHFFFAOYSA-N 448.508 3.136 0 1 IGAF CCN(CC)CCCOc1cc(-c2ccc3[nH]cc(-c4cc[nH]c(=N)n4)c3c2)[nH]c(=N)n1 1857763522 IDLOXROSNVSJAW-UHFFFAOYSA-N 432.532 3.018 0 1 IGAF CC(=O)N(C[C@@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 760731 ULTJLNFYGOFNHJ-DYXWJJEUSA-N 430.545 3.225 0 1 IGAF CC(C)Oc1ccc2nc(COc3ccc(C[C@@H]4SC(=O)NC4=O)cc3)n(C)c2n1 3824020 NYZCYOCLLSTCPQ-INIZCTEOSA-N 426.498 3.229 0 1 IGAF COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 4208480 KNGITPIUNFBGFX-ZNLUXHQJSA-N 441.915 3.177 0 1 IGAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCN1CCOCC1 4310565 DLJOCENCDJKZHC-GOTSBHOMSA-N 447.576 3.166 0 1 IGAF O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1cccs1 13152803 AZVWOTWGCYDHKK-ATNYCFDYSA-N 440.908 3.449 0 1 IGAF CC[S@@](=O)CCN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1 13746886 QEYLNCFKHHSXKD-FYFNNQQJSA-N 445.537 3.034 0 1 IGAF CC(=O)OC[C@@H](Cc1ccc2c(c1)OCO2)[C@H](COC(C)=O)Cc1ccc2c(c1)OCO2 14437699 GFOPJZZAXNTRGJ-BGYRXZFFSA-N 442.464 3.288 0 1 IGAF biogenic Cc1c(CN2CCN(C)CC2)c(CN2CCN(C)CC2)c(C)n1-c1ccc(Cl)cc1 19365607 GMJGLTDBXPXVRV-UHFFFAOYSA-N 430.040 3.242 0 1 IGAF CCOc1cc(NC=O)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2ccc(F)cc2)CCO1 27705075 SHDXTHUDHKXGDP-QGZVFWFLSA-N 449.910 3.077 0 1 IGAF C[C@H]1c2nnc(C(F)(F)F)n2[C@H](C)CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 28967407 VDLQLESOGPTTOL-WCABBAIRSA-N 435.372 3.139 0 1 IGAF COc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1F 35984313 NKKHUNXEXXFYQF-UHFFFAOYSA-N 428.435 3.474 0 1 IGAF CCOC(=O)Cc1cnc(Nc2cc(OC)c(OC)c(OC)c2)nc1Nc1ccccn1 36348573 YHROPQPNDJZFTP-UHFFFAOYSA-N 439.472 3.490 0 1 IGAF O=C(NCc1ccc(C(=O)N2CCCNCC2)cc1)c1csc(Nc2ccccc2)n1 82081896 NGTZJDGTYAWROR-UHFFFAOYSA-N 435.553 3.252 0 1 IGAF O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccncc1)C[C@H](CC1CCCCC1)N2 82205223 XFGQRKXDCPDOTH-FQEVSTJZSA-N 435.528 3.423 0 1 IGAF CCCN(C)C[C@@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C 95701446 LQVSPGWVOASTFN-FGSXEWAUSA-N 436.618 3.364 0 1 IGAF Cc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@H]34)cc2)cc1 95866365 LJKKNOWVDPDCAP-MZKUHISZSA-N 426.516 3.473 0 1 IGAF C[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCc2cccc(Cl)c2Cl)n1 113941550 VVPGMKRQVPUPFK-SECBINFHSA-N 437.374 3.240 0 1 IGAF CCOc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(C(F)(F)F)c(NC)n1 169705130 PZMIZDBEOBNDRG-UHFFFAOYSA-N 425.411 3.152 0 1 IGAF C[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 205441149 LDKKRBUDFCLKNM-DYVFJYSZSA-N 445.926 3.340 0 1 IGAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 299873973 AQNNGQUXQTZZPS-FKVLARQCSA-N 442.556 3.035 0 1 IGAF O=C(c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1)N1CCN(CCO)CC1 586896584 FOFVQCDJAPJYOP-UHFFFAOYSA-N 442.519 3.353 0 1 IGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586934550 BERPPWGSALOSEO-HNNXBMFYSA-N 430.555 3.220 0 1 IGAF NC(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1 587157967 RFVNRRRGCODRRW-UHFFFAOYSA-N 430.237 3.399 0 1 IGAF CCCOc1cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br 587204876 UDSQAEVPPRDMJD-AWEZNQCLSA-N 425.327 3.193 0 1 IGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)cc1S(C)(=O)=O)CC2=O 587488866 RZEKYMOWSOMLDG-NRFANRHFSA-N 445.537 3.291 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704352 JBBPWFVLZKDFOO-VXJOIVPMSA-N 426.204 3.402 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccnn2C)(c2ccnn2C)N1 587756415 DMJRYWVKEZXDOQ-FKIZINRSSA-N 446.324 3.106 0 1 IGAF CCc1noc(CCC(=O)N2CCCCNC(=O)c3cc(Cl)ccc3OCCC2)n1 618017205 HJBFRRHWEIQLCY-UHFFFAOYSA-N 434.924 3.039 0 1 IGAF CCOC(=O)C(=O)C[C@]1(C(C)C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962921386 NMLRPJVMSVTVGA-GBXCKJPGSA-N 441.480 3.157 0 1 IGAF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(C(=O)O)c(I)c3)c3cccc1c32 963039555 YEPLBTGZXVMQSN-VOJFVSQTSA-N 448.260 3.132 0 1 IGAF COc1ccccc1OCCN1CCC(NS(=O)(=O)c2cc(Cl)ccc2F)CC1 1772597269 ZBHGJYPNQBLWFG-UHFFFAOYSA-N 442.940 3.309 0 1 IGAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C 1857533990 JUZUEPSGONCUDA-XZOQPEGZSA-N 449.551 3.142 0 1 IGAF O=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3nc4ccccc4s3)CC2)N1 1857547123 HZOYRKHBRKHQSX-GOSISDBHSA-N 437.447 3.496 0 1 IGAF COC(=O)c1ccc([C@H]2[C@H](C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 1819366 YDXVOOHFHOQPKZ-RTWAWAEBSA-N 447.443 3.227 0 1 IGAF CC[C@H]1CN(CCC(=O)N(C)Cc2n[nH]c3c2CCCC3)Cc2cc(OC)ccc2O1 11789532 UFMVWEWRMKYFDQ-SFHVURJKSA-N 426.561 3.319 0 1 IGAF Oc1ccc2c3c1O[C@H]1c4ncc(-n5cccc5)cc4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 13487527 AQPCHMHRVHPFAE-NVSKSXHLSA-N 441.531 3.277 0 1 IGAF CCOC(=O)[C@H](NC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccccc1 13745865 AVVRLCVJYHNDOL-JOCHJYFZSA-N 435.528 3.466 0 1 IGAF COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cc(C)ccc4nc3OC)CC2)c1 64453435 ARKQKFHBWGVDQL-UHFFFAOYSA-N 437.500 3.318 0 1 IGAF COc1nc(NCCc2ccc(Cl)cc2Cl)cc(N2CCC[C@@H](c3nnn[nH]3)C2)n1 66101186 WIPUKXPYAIVMNH-CYBMUJFWSA-N 449.346 3.344 0 1 IGAF NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(Br)cc3F)sc2c1 72187802 JWBBYRLEXJTXFL-UHFFFAOYSA-N 430.280 3.098 0 1 IGAF COc1cccc(NC(=O)Cn2cc(Oc3ncnc4cc(OC)cc(OC)c34)cn2)c1 73223499 XLZFINWQTYEKJR-UHFFFAOYSA-N 435.440 3.283 0 1 IGAF O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)CCN2 82204541 NYKAAJARIRHDOP-UHFFFAOYSA-N 433.295 3.108 0 1 IGAF O=C(CC1COC1)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 100636899 IIHJAGXEIYOGKI-BGYRXZFFSA-N 427.589 3.331 0 1 IGAF CCC[C@H](CC)Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 101009229 RVDURVLAKDYFMD-AWEZNQCLSA-N 440.525 3.390 0 1 IGAF CCC[C@@](C)(O)[C@H]1C[C@@]23C=C[C@@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5 101182050 LOOHQOHHYOAWOS-PEGLJNFGSA-N 425.569 3.467 0 1 IGAF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@@H]43)[C@H]2C1=O)c1ccc(COc2ccc(F)cc2)cc1 101639563 KKAREXGDOFNMHY-QANWUKQVSA-N 432.451 3.103 0 1 IGAF NC(=O)c1cccc2c(N[C@H](CN3CCC3)c3ccc(F)c(C(F)(F)F)c3)nnnc12 143364840 RXGPGJLXVSGRAU-MRXNPFEDSA-N 434.397 3.141 0 1 IGAF O=C1CCN1c1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1 144219445 AQLRDCIYISMHFI-HXUWFJFHSA-N 431.496 3.341 0 1 IGAF COc1cccc([C@@H](O)[C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1 199431530 RPKZHKUOGKQMIC-YADARESESA-N 434.540 3.425 0 1 IGAF O=C(N[C@H]1CCC[C@H](Cn2cncn2)C1)c1ccc2[nH]nc(-c3ccc4nccn4c3)c2c1 200856404 UIMXIQNXFRZZDG-LPHOPBHVSA-N 440.511 3.458 0 1 IGAF Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cc2)nc1-c1ncc(-c2ccccc2)[nH]1 202064249 OPIZUUXFDQMIEG-UHFFFAOYSA-N 432.509 3.224 0 1 IGAF O=C(Cn1cc(C[C@@H](O)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccccc1 299825965 NHPACWGBTCGWJJ-HSZRJFAPSA-N 447.516 3.270 0 1 IGAF Cc1cc([C@H](C)Nc2cc(Cl)ccc2C(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1 299831382 IPFXWGVWKQFAMJ-AWEZNQCLSA-N 442.903 3.364 0 1 IGAF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)N[C@H](C)CN(C)C 299873831 AJRZUBMESRQFRN-XMDBHEJHSA-N 448.520 3.404 0 1 IGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587201874 CRBJWCZFVHZZFI-SECBINFHSA-N 443.769 3.419 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](NC(=O)C(F)(F)F)c3cc4c(cc31)OCO4)O2 587380129 AZQSDTMNPLRHIX-XOBRGWDASA-N 434.370 3.290 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 587413068 PNRRYJSAFVVEGL-RPWUZVMVSA-N 433.416 3.415 0 1 IGAF CN(Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1)S(C)(=O)=O 587610430 XSSDRIIZJMKILX-GHTZIAJQSA-N 429.450 3.080 0 1 IGAF CCOc1ccc(OCC)c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1 587778056 IKXJQHHQISWHML-UHFFFAOYSA-N 431.514 3.048 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C[C@H]1Oc2ccccc2NC1=O 587869823 OVWOWSGKQNMEPL-OAHLLOKOSA-N 432.358 3.403 0 1 IGAF CC(C)c1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2c(O)ncnc12 653893469 UKKONWDOPQEBNH-UHFFFAOYSA-N 439.541 3.160 0 1 IGAF Cc1noc(C)c1-c1ccc2c(c1)[C@](N[C@H](CO)Cc1cnc[nH]1)(c1ccccc1)C(=O)N2 1772612960 NLSBQQQOPKFZRK-NBGIEHNGSA-N 443.507 3.070 0 1 IGAF CN1CCCC[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 1857636178 FCCLWZIWIOWYDS-RSEQLOHWSA-N 444.579 3.422 0 1 IGAF CN1CCCC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 1857636179 FCCLWZIWIOWYDS-VTZPFEBOSA-N 444.579 3.422 0 1 IGAF CC(C)=CC[C@@H](C=C(CO)CCO)C(=O)OCCC(=C[C@@H](CC=C(C)C)C(=O)O)CO 2356796121 MVXUPPHUWBRKNX-YADHBBJMSA-N 438.561 3.169 0 1 IGAF CCO[C@H]1OC(C(=O)NCc2ccccc2)=C[C@@H](c2ccc3c(c2)OCO3)[C@@H]1CCCO 13118547 UIKKXOQTYWGZBS-RLSLOFABSA-N 439.508 3.481 0 3 IGAF COc1ccc(CN2CCN(c3ncc(C(=O)NCc4ccc(F)c(F)c4)o3)C2=O)cc1 206023046 ZIDAUDVHWOXXNL-UHFFFAOYSA-N 442.422 3.334 0 3 IGAF CCOc1c(OC)cccc1[C@H]1CN2C(=O)CN(C)C(=O)[C@@]2(C)c2[nH]c3ccccc3c21 2136914 SOZNDALMAYKEFU-CRICUBBOSA-N 433.508 3.237 0 1 IGAF biogenic CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 9506988 NXVJDHHXYCWWLN-RCCFBDPRSA-N 436.574 3.260 0 1 IGAF COc1ccc(C[S@@](=O)c2ncccc2C(=O)Nc2ccncc2)c(OCCF)c1 13605342 QGJDCUDOYODYQA-PMERELPUSA-N 429.473 3.394 0 1 IGAF COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1OC 32221528 BSMSXNNOCRXXHE-UNWVZKJWSA-N 446.452 3.391 0 1 IGAF CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 43743814 WAXPCGVGHNBJHV-XQBPLPMBSA-N 449.532 3.328 0 1 IGAF biogenic COc1cc2c(cc1OC)[C@H]1CN(C(=O)c3ccc(C(F)(F)F)cc3)CC(=O)N1CC2 73218980 CFWDUKXJHSNGCT-QGZVFWFLSA-N 434.414 3.304 0 1 IGAF COc1cccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)c1 95797624 FBPIARHAZXJNRG-LSQMVHIFSA-N 434.536 3.050 0 1 IGAF O=C(Nc1ccc2c(c1)C(c1nc3cc(N4CCOCC4)ccc3[nH]1)=NC2)[C@@H]1CC1(F)F 96174724 NHWZCLNHPYCNSZ-KRWDZBQOSA-N 437.450 3.344 0 1 IGAF Cc1cccc(S(=O)(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)c1 114602247 GCISKOCCNUBHDG-UHFFFAOYSA-N 444.626 3.485 0 1 IGAF Cc1cc(C(C)(C)C)nc(N2C[C@H]3CN(C(=O)c4c(F)cccc4-n4nccn4)C[C@@H]3C2)n1 116826319 IQZVXSJDHSRKDW-IAGOWNOFSA-N 449.534 3.011 0 1 IGAF COc1ccnc(-c2nn(C)c3nc(OCC(=O)N[C@@H](C)c4ccc(C)cc4)cc(C)c23)n1 117510816 QUZUPFPNUICEFH-INIZCTEOSA-N 446.511 3.307 0 1 IGAF CC#Cc1cncc(-c2ccc3c(c2)[C@]2(N=C(N)N(C)C2=O)C2(CCC(OC)CC2)C3)c1 141955552 OYDAMQDNTXHXCX-HFYIDVTOSA-N 428.536 3.234 0 1 IGAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1c(C)nn(C)c1C 144550869 YMHYKJQEGWXPMT-KRWDZBQOSA-N 426.448 3.192 0 1 IGAF CN1CC[C@@H](C(=O)N2CC=C(c3ccc(NC(=O)N4Cc5ccccc5C4)nc3)CC2)C1 166253471 QSDSHJOYMJLHCC-JOCHJYFZSA-N 431.540 3.197 0 1 IGAF COc1cccc(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)c1 221426670 QUNXWQARSNPOHK-RKVPGOIHSA-N 445.520 3.321 0 1 IGAF NC1=N[C@](CF)(c2nc(NC(=O)c3ccc(Cl)cn3)ccc2F)C[C@@H](C(F)(F)F)O1 223558384 KABMVXFBTNXXDR-MEDUHNTESA-N 449.767 3.352 0 1 IGAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCO[C@H](C)C3)c2n1 224084315 QDRPODVXFWNFJS-OAHLLOKOSA-N 431.500 3.403 0 1 IGAF CC[C@@H](C)n1ncc(I)c1-c1nc2cnc(C(=O)OC)cc2[nH]1 587180254 FYTZLJDTYZFGMR-MRVPVSSYSA-N 425.230 3.184 0 1 IGAF COCCNC(=O)[C@H]1CCCC[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587231266 NCIQKBPYPRMIPE-OLZOCXBDSA-N 438.322 3.148 0 1 IGAF CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 587443943 NEVUKSQXIJXPSV-VOMZYHDESA-N 443.496 3.002 0 1 IGAF CN(C)S(=O)(=O)c1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587604901 AAYAHKNPZGWFLM-SIKLNZKXSA-N 425.462 3.345 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(CS(N)(=O)=O)C3(C)C)N1 587841554 RDOGBDZJIZXOPQ-LDWAOTCXSA-N 445.398 3.433 0 1 IGAF CC(=O)c1ccc2c(c1)[C@@H](c1[nH]ccc1C(=O)O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962631337 KJBKMULOMLZIMA-WMZOPIPTSA-N 428.441 3.251 0 1 IGAF C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@@H]2[C@H]1O 2356311400 MYJZSEKGGHIYKO-LNOHAOIPSA-N 436.637 3.226 0 1 IGAF CCNC[C@](O)(CCCCC[C@@H]1CC[C@H]2C[C@H]1CC[C@@]21CC[C@H](O)[C@H](C)N1)CC(=O)O 2356387107 HUWYQTFAKWTNMD-DTZKBMEYSA-N 438.653 3.450 0 1 IGAF COc1ccccc1[C@H]1CC(=O)C[C@H](c2ccccc2OC)C12C(=O)NC(=S)N=C2O 5924753 POMVPHZAPHHHIS-IAGOWNOFSA-N 438.505 3.292 0 1 IGAF O=C(O)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1 13797845 JNBNCWQZPZWAOV-NRFANRHFSA-N 439.464 3.262 0 1 IGAF CC(C)[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)NCCC1=CCCCC1 16042333 PWOZZMKLKYQHOH-ZRCGQRJVSA-N 440.588 3.008 0 1 IGAF biogenic COc1cc(Nc2nc(N(C)Cc3ccccc3)n3ccnc3c2C(N)=O)cc(OC)c1 40934955 WRTLOLDYSMFKTE-UHFFFAOYSA-N 432.484 3.225 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@@H](C)[C@](C)(O)[C@H]2O 70455338 BFELOFVXWJZJNF-IKVVWSHTSA-N 432.469 3.093 0 1 IGAF biogenic,in-vitro COc1ccccc1CN1C(=O)COC[C@@H]1[C@@H](O)c1ccc(NC(=O)c2ccco2)cc1 71289653 SYQXTINYHIPEIS-XXBNENTESA-N 436.464 3.002 0 1 IGAF biogenic O=C(NCCCN1CCCC1)[C@@H]1CCCN(C(=O)c2csc(Nc3ccccc3)n2)C1 82081473 SKMMYGKKFOCYAK-GOSISDBHSA-N 441.601 3.341 0 1 IGAF Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H](CO)Nc4ccc(Br)cc4[C@@H]32)cc1 95878148 QOAMHAVTMBZIDA-AYOQOUSVSA-N 437.359 3.296 0 1 IGAF O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cccc(N2CCC(O)(c3ccccc3)CC2)n1 139717759 HAHKGLGDVSSJMQ-SDKVMHBISA-N 447.579 3.239 0 1 IGAF CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)[C@H](C)NCCN3S(C)(=O)=O 149572716 IPKXOUYZNYYALY-LBPRGKRZSA-N 431.489 3.029 0 1 IGAF COC(=O)c1cc(Br)cnc1N1CCC(N[C@@H]2CCCC[C@H]2OC)CC1 169341938 FPOWWSVUDYAZPF-IAGOWNOFSA-N 426.355 3.147 0 1 IGAF COC1CCC2(CC1)Cc1ccc(OCCOC(C)C)cc1[C@@]21N=C(N)N(C(C)C)C1=O 169700491 QLWKSBXAUZOZAO-GATLKJJBSA-N 443.588 3.383 0 1 IGAF O=C(Cc1cccc(Cl)c1)Nc1cncc(C(=O)c2cn(C3COC3)c3ncncc23)c1 169707777 BUPDYQAQUIPIFF-UHFFFAOYSA-N 447.882 3.463 0 1 IGAF CN(C)S(=O)(=O)c1ccc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)cc1 586931671 IRCYPJRFOGQLMY-UHFFFAOYSA-N 445.726 3.203 0 1 IGAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@@H](C)O)cc1 586939305 UELMUWIZRSQNOQ-PSLIRLAXSA-N 430.313 3.279 0 1 IGAF CC1CCC(NS(=O)(=O)Cc2nc3cccc(I)c3[nH]2)CC1 586952922 NTTQUEPBXBOQEH-UHFFFAOYSA-N 433.315 3.166 0 1 IGAF CN(C)S(=O)(=O)c1ccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587042124 IBXGPEWOVPOLMF-INIZCTEOSA-N 436.946 3.122 0 1 IGAF CC[C@@H](c1nc2ccc(S(C)(=O)=O)cc2[nH]1)n1cc(I)c(C)n1 587185085 PLORITSFYOVJQY-AWEZNQCLSA-N 444.298 3.075 0 1 IGAF COc1cccc([C@@H]2[C@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)c1 587213038 SPWHDHKNNWUOOG-XZOQPEGZSA-N 430.460 3.053 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(N3CCN(CC(F)(F)F)CC3)s1)O2 587383508 XTVSLDLVOCJEMA-HNNXBMFYSA-N 426.464 3.425 0 1 IGAF CCOC(=O)c1nn(C)c2c1CCC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583400 VYJUNZJFWYRGMY-HOYKHHGWSA-N 434.448 3.496 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586929 LTECYFRSQBCMAP-RDPSFJRHSA-N 433.416 3.167 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587770592 ANQKFNLQXBAQJF-ODXCJYRJSA-N 435.293 3.283 0 1 IGAF Cc1c2c(nn1C)[C@H](c1ccc(Br)c(OC(F)(F)F)c1)N[C@H](C(=O)O)C2 962711626 MIYNRWLTBIXJAL-AAEUAGOBSA-N 434.212 3.078 0 1 IGAF CC(=O)N1N=C(c2ccc(Cl)cc2Cl)C[C@@H]1c1ccc(OS(N)(=O)=O)cc1 1857553636 WNVWUVSWXIUWQI-QGZVFWFLSA-N 428.297 3.273 0 1 IGAF Cc1c(C(=O)N(CCC(F)(F)F)CC(F)(F)F)cnn1-c1nc(O)c2c(n1)CCC2 1857600940 QQHVVISCHVBOGN-UHFFFAOYSA-N 437.344 3.122 0 1 IGAF COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2Cc2ccccc2)c1 95602066 IAVUQTKKYVDCPM-HSZRJFAPSA-N 441.491 3.484 0 3 IGAF COC(=O)[C@@H]1CCCN1C(=O)CC[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 14992689 SNTSYOZTWWAFGG-BKMJKUGQSA-N 434.536 3.489 0 1 IGAF COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)Nc1nc2cc(C)cc(C)c2c(=O)o1 27527259 QHUXMXULJOQNHV-QZTJIDSGSA-N 431.533 3.335 0 1 IGAF O=S(=O)(Nc1ccc2[nH]cc(CCN3CCOCC3)c2c1)c1ccc2ccccc2n1 28111992 PQKFQFVOESWCRV-UHFFFAOYSA-N 436.537 3.392 0 1 IGAF CCCCn1c(-c2cccc(NS(C)(=O)=O)c2)nc2cc(OC)c(OC)cc2c1=O 73220543 QYVAOQFDQFSGSU-UHFFFAOYSA-N 431.514 3.252 0 1 IGAF COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 82171891 SXYLALRKOIEVKU-QFIPXVFZSA-N 445.604 3.390 0 1 IGAF CC[C@@H](CC(=O)O)n1c(=O)c2ccncc2n(Cc2nsc3cc(C)cc(C)c23)c1=O 96170058 XWMWMZSXZMVLOD-AWEZNQCLSA-N 438.509 3.259 0 1 IGAF CCOC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=N[C@H]1c1ccccc1Cl 141341128 GHTLWGXNRBNHAY-SFHVURJKSA-N 446.960 3.037 0 1 IGAF CCN(Cc1ccccc1F)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 204961437 HIWZTEUMSAOLTJ-UHFFFAOYSA-N 444.532 3.151 0 1 IGAF O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3ccoc3)ccc1-2 219794882 PHBISUKUYFSRAF-GOSISDBHSA-N 429.432 3.340 0 1 IGAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4C[C@H](C(F)(F)F)OC(C)(C)C4)ccc23)cn1 221609722 QZPFBODOSHPVFE-LJQANCHMSA-N 447.461 3.276 0 1 IGAF CC(C)OC(=O)N1CCC(O[C@H]2CC[C@H](Oc3ccc(S(C)(=O)=O)nc3)CC2)CC1 473097133 CCJKJIRNMRHRGY-QAQDUYKDSA-N 440.562 3.201 0 1 IGAF CN(Cc1ccc2nc[nH]c2c1Cl)c1nccc(=Nc2cc([C@@H]3CCC(=O)C3)[nH]n2)[nH]1 474605830 GIAAJPPEMQIXPQ-GFCCVEGCSA-N 436.907 3.368 0 1 IGAF COc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587143316 BFGCKZICKPTOGT-UHFFFAOYSA-N 441.440 3.390 0 1 IGAF C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(-n3ncc4ccc(Cl)cc4c3=O)nc2)C1 587655023 RQSOOPOVLHPJIM-OKILXGFUSA-N 432.933 3.101 0 1 IGAF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(C)CC(N)=O 962990362 IEFNHXQGEYVGFF-HSZRJFAPSA-N 444.915 3.106 0 1 IGAF CCC(CC)O[C@@H]1C=C(C(=O)NCc2ccc(C(F)(F)F)cc2)C[C@H](N)[C@H]1NC(C)=O 1857635098 XOYIZOOOHYOUIZ-XUVXKRRUSA-N 441.494 3.058 0 1 IGAF COc1cccc(C(=O)NCCc2ccc(CNc3ccc4[nH]c(=N)[nH]c(=N)c4c3)cc2)c1 1857757166 ZKPHEJNFSKQXMA-UHFFFAOYSA-N 442.523 3.048 0 1 IGAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@@H](CO)[C@@H]1Cc1ccnc(COc2ccccc2)n1 2356350289 ZJHXJBSQXISWJE-JBXUNAHCSA-N 433.552 3.054 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(OC(C)=O)[C@@H]2CC=C(C)[C@@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@@H]21 2356467593 WXAJADWYCXGFFJ-DBUDZYSISA-N 448.512 3.036 0 1 IGAF CC1=C[C@H](C)[C@H](O)[C@H](C)[C@H](C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C=C[C@@H](C)[C@H]1O 2356482829 SQRHAWJNRYYSGK-MDZGFFNNSA-N 443.584 3.134 0 1 IGAF C[C@@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12NC[C@@H](CO)C[C@H]2O 2356745928 FBKQAVWTYDQPAB-XUVSWXCCSA-N 447.660 3.310 0 1 IGAF O=C(NC[C@@H]1CCCO1)[C@@H](c1cccnc1)N(C(=O)Cc1cccs1)c1cccnc1 8672792 AZDIDEVIEGEAEJ-SIKLNZKXSA-N 436.537 3.150 0 3 IGAF O=C(N[C@@H](Cc1ccc(OCCCN2CCCC2)cc1)C(=O)O)OCc1ccccc1 3806342 SLZPSLYPHRPPCC-QFIPXVFZSA-N 426.513 3.473 0 1 IGAF CC[C@@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC 4296454 FTIBCQZGECRODU-JJXUHFIVSA-N 432.904 3.336 0 1 IGAF C[C@@H](Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4cscn4)c3)c12)C(N)=O 29041330 RVVGPIUUCSXRDL-CYBMUJFWSA-N 445.508 3.481 0 1 IGAF COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)CC(C)(C)C)CC1 40949651 SUYIDKGFTNNXCY-UHFFFAOYSA-N 425.957 3.104 0 1 IGAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2)C1 82132946 VVBYMWNVXMWZDE-GGPKGHCWSA-N 435.572 3.496 0 1 IGAF CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(C(=O)N(C)C)cc1 84703576 HXWODBIVTGXTOT-UHFFFAOYSA-N 438.557 3.343 0 1 IGAF CCN(CC)C[C@H](O)Cn1cc(-c2cccs2)nc1CCc1nc2cccc(C)n2n1 117849079 PTKCRJBIDOWBDX-SFHVURJKSA-N 438.601 3.451 0 1 IGAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H](O)[C@](CO)(CCCc2ccccc2)C[C@H]3[C@H]1C5 169289972 MMXFDJAANNJTRD-AWCISZFLSA-N 435.564 3.034 0 1 IGAF COC(=O)C/C=C\C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 254091753 FDLAWQMKYQSKSJ-IXZDGAQJSA-N 436.932 3.059 0 1 IGAF Nc1cc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c2cn1 586956497 LZHSGZRXUULBDW-UHFFFAOYSA-N 425.901 3.612 0 1 IGAF N=c1[nH]c2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)nc-2c(Cl)[nH]1 586961695 SLPXFNXUAUMTDR-UBHSHLNASA-N 432.937 3.065 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2ccnn2C)(c2ccnn2C)N1 587756416 DMJRYWVKEZXDOQ-MPBGBICISA-N 446.324 3.106 0 1 IGAF CN1CCN(Cc2cn(S(=O)(=O)c3cccc(Br)c3)c3ccccc23)CC1 1772612753 DWXNTRPXHMRBJM-UHFFFAOYSA-N 448.386 3.388 0 1 IGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)N[C@H]3CCNC3)cc21 1857607485 VPIWQJULICWZHJ-QFIPXVFZSA-N 440.547 3.432 0 1 IGAF N[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 1857637270 OVPJONRRWMAOIO-ZFGGDYGUSA-N 431.540 3.026 0 1 IGAF Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2ccc(C(=N)N)cc2)C2CCCCC2)cc1 1857638173 PBUFMZMUQKRGQZ-HXUWFJFHSA-N 428.558 3.145 0 1 IGAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(ccc4oc(CC(C)C)nc43)nc2-1 1857646339 ZAOOCITWIAZMCB-VWLOTQADSA-N 445.475 3.419 0 1 IGAF Cc1ccc(Cn2cc(-c3ccccc3N=c3nc(O)n(O)c4ncccc34)nn2)cc1 1857758360 ZHRSFZZJFLYCFR-UHFFFAOYSA-N 425.452 3.222 0 1 IGAF OC[C@@H]1[C@H](O)C[C@@H](NC2CCC(F)(F)CC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 2356320527 OYUPCMBUIMUOBE-CIAFKFPVSA-N 447.526 3.124 0 1 IGAF CN1C(=O)[C@]2(O)c3c([nH]c4cc(Cl)ccc34)-c3[nH]c4cc(Cl)ccc4c3[C@]2(O)C1=O 2356340977 CKHKNMXVZGOUCL-OYRHEFFESA-N 442.258 3.010 0 1 IGAF COC(=O)c1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CNC(=O)CN(C)C)C=C3C)[nH]c2c1 2356613179 BVSPYFPHTWEFLJ-XUVXKRRUSA-N 440.588 3.424 0 1 IGAF CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@H]1c1cccc(OC)c1 61958819 JHFHVJSSDYTSMS-NRFANRHFSA-N 448.516 3.405 0 3 IGAF CCOc1cc(S(=O)(=O)N2CCCC3(CCCCC3)C2)c(OCC)cc1-n1cnnn1 1325360 WINFEDDVSXFILN-UHFFFAOYSA-N 449.577 3.195 0 1 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2OCC)[C@H]1C(=O)NC[C@H](O)CC 4151924 GCCKXHZULUTDDJ-HNKPZJSLSA-N 426.513 3.463 0 1 IGAF CCOC(=O)c1cnn(C[C@H](O)c2ccccc2)c1NC(=O)NCc1ccccc1F 28702151 XRNKPYBIGCAELZ-IBGZPJMESA-N 426.448 3.254 0 1 IGAF COc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCCc1ccccc1 40867290 UAWJEFMZDJBWJG-UHFFFAOYSA-N 431.535 3.049 0 1 IGAF O=C(Cc1ccccc1)NCCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1 64549666 FFWGPBIZCDVLBZ-UHFFFAOYSA-N 433.533 3.391 0 1 IGAF CCCCOCCOC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 82088150 ROOBAVSAAANSDN-QGZVFWFLSA-N 444.484 3.282 0 1 IGAF CC(=O)NCCNc1ncc(C(=O)NCc2ccccc2C(F)(F)F)c(-c2ccco2)n1 82142027 UNGQORKKYMHGAP-UHFFFAOYSA-N 447.417 3.233 0 1 IGAF Cc1c(C)c2ccc(OCc3nnc(SCCN4CCOCC4)s3)cc2oc1=O 95575003 QOJVVDRPPDBHMM-UHFFFAOYSA-N 433.555 3.265 0 1 IGAF O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 95664676 XFHPTNMTQHMBQH-OYRHQHFDSA-N 430.479 3.304 0 1 IGAF CCC(=O)N(C)C[C@H]1Oc2ncc(-c3ccccc3C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95703496 GYCTWAQMECXVCN-NJNPRVFISA-N 439.556 3.146 0 1 IGAF O=C(NCc1ccc(-n2ccnc2)nc1)Nc1ccc(S(=O)(=O)c2ccccc2)cc1 96271381 FLQDGOLWNFBEFN-UHFFFAOYSA-N 433.493 3.422 0 1 IGAF O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)s1)N1CCC(N2CCCC2)CC1 96284322 DXYZHMYQVXITLW-UHFFFAOYSA-N 444.645 3.149 0 1 IGAF NCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 168536264 MXAUXQJFMGNYJF-BSDSXHPESA-N 432.362 3.071 0 1 IGAF C[C@@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1noc(-c2ccc(Cl)cc2)n1 217382941 HQFBCUBMPLPKFP-JTNHKYCSSA-N 430.852 3.059 0 1 IGAF COc1ccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]23)cc1 227309848 WXLDDNHCXBQERH-XUJKJYMVSA-N 440.471 3.154 0 1 IGAF O=C(C[C@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1 261095489 FIMDFCHHYZMXDV-NJDAHSKKSA-N 443.588 3.172 0 1 IGAF CCS(=O)(=O)NCCCc1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 586942353 KJJUTBWRAUTPAJ-UHFFFAOYSA-N 430.246 3.096 0 1 IGAF CCOc1ccccc1[C@](N)(c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)C(F)(F)F 587091928 JDYRNRBHYSGPSL-NRFANRHFSA-N 445.445 3.482 0 1 IGAF COc1cc2c3c(c1)O[C@H](c1c(N4CCCCC4)nc4ccc(C)cn4c1=O)[C@@H](C2)C3=O 587437716 JLKOLJTZNUHBGK-SBUREZEXSA-N 431.492 3.491 0 1 IGAF Cn1nnc(Br)c1[C@@H]1NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953612 JRCRPWSGXZHUKX-CYBMUJFWSA-N 431.256 3.337 0 1 IGAF CCN1C=C(C(=O)O)[C@@]2(NCCc3cc4cccc(OC)c4nc32)c2cccc(OC)c21 963049305 BTVUWAFTCHWWKT-VWLOTQADSA-N 431.492 3.450 0 1 IGAF CC[C@@H](C)Oc1ccc([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1Cl 963213322 HLVBGYWZFKPTIB-MXDFIXEMSA-N 428.920 3.088 0 1 IGAF CS(=O)(=O)c1cc(Cl)cc(NS(=O)(=O)c2cc(Br)ccc2O)c1 1857556590 OSGUHHXXRHWXPS-UHFFFAOYSA-N 440.724 3.012 0 1 IGAF Cn1c(Cc2ccccc2C(F)(F)F)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O 1857766416 ZBQLRJMTXQMANC-UHFFFAOYSA-N 435.377 3.165 0 1 IGAF CNC[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@@H]1C 61922051 NEAMIVWIATVNNI-IXFSTUDKSA-N 435.568 3.423 0 3 IGAF O=C(O)[C@@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1ccccc1Br 13807271 WFXQCDCLSNIHRG-GOEBONIOSA-N 435.322 3.247 0 1 IGAF N=C(N)c1cccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3ccccc3F)cc2)c1 28086545 SNXKZEZFRVPPOR-UHFFFAOYSA-N 441.488 3.232 0 1 IGAF COc1cc2c(cc1OC)C(c1ccccc1)=N[C@@H](NC(=O)c1ccccc1OC)C(=O)N2 34662035 QSOFWUGUATYHBX-QHCPKHFHSA-N 445.475 3.258 0 1 IGAF O=c1c2ccccc2cc2n1Cc1c-2nc2cc3c(cc2c1CN1CCOCC1)OCCO3 58581207 MNQADWUBOBDXBC-UHFFFAOYSA-N 441.487 3.182 0 1 IGAF CC[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82208079 NNYUWFWGRNEXRJ-QGZVFWFLSA-N 430.464 3.261 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@H]1C(=O)NCCCOCCCC 82214255 RRUJHHAORJNODC-PBBAFTKJSA-N 446.588 3.471 0 1 IGAF CC1=CC(=O)O[C@@H]1CC[C@H](C)C(=O)[C@]1(O)C2=CC(C)(C)O[C@]2(O)[C@H](C)[C@@H]2CC[C@H](C)[C@H]21 85996658 CZSWARCYWCYVPW-RGXOFRSUSA-N 432.557 3.310 0 1 IGAF biogenic Cn1c(=O)ccc2c3cnc(Nc4ccc(N5CC[C@@H](O)C5)cn4)nc3n(C3CCCC3)c21 117686490 CLUCXVSOAQMMRQ-QGZVFWFLSA-N 445.527 3.108 0 1 IGAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cnn(-c2ccc(Cl)cc2)c1 221672521 GRZJNGBTAXSJAT-XWCIJXRUSA-N 446.870 3.334 0 1 IGAF CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3ncc[nH]c-3n2)CC1 586925040 BSSUCSRAUVEPFE-UHFFFAOYSA-N 443.529 3.145 0 1 IGAF COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(CNC(C)=O)cc3)C(C)C)[nH]c2cc1F 586933373 QLURUMVTVZJDRB-FQEVSTJZSA-N 448.520 3.022 0 1 IGAF CNS(=O)(=O)c1cc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)n(C)c1 586947540 RIOROVNXLXMSBR-UHFFFAOYSA-N 437.241 3.258 0 1 IGAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(Br)cc(F)c4[nH]3)c2N)C1 586956056 ZEKMIWOPLYIOTN-UHFFFAOYSA-N 439.310 3.031 0 1 IGAF CCOC(=O)C(=O)C[C@]1(c2cccc3ccccc23)NCCc2ccc(C(=O)N(C)C)cc21 962932467 PWYHAHKKTIYYCK-HHHXNRCGSA-N 444.531 3.453 0 1 IGAF CCOC(=O)N1CC[C@@]2(c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)C1(C)C 963154283 XREAACLTOOSGJQ-ZUOKHONESA-N 439.534 3.226 0 1 IGAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(CC=Cn3c2nc(Cl)cc3=O)N1 963172766 DNRVKLDMKYWMJX-DYZYQPBXSA-N 446.212 3.286 0 1 IGAF CN(C[C@H](O)c1cc2ncccc2n1S(=O)(=O)c1ccccc1)C(=O)c1ccccc1 1857545648 ACJJRKPVZVNVRC-QFIPXVFZSA-N 435.505 3.079 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@]34CCN(CC3CC3)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@](C)(CO)C2 1857767874 RKZWIZBLUWIFIU-CLPMPKECSA-N 425.569 3.302 0 1 IGAF CCOc1ccccc1CNC(=O)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 9211034 SSCBORMSOZMLHE-LJQANCHMSA-N 448.571 3.484 0 3 IGAF COC(=O)C1=C(c2cc3ccccc3s2)C[C@@H]2CC[C@H]1N2C(=O)NCC[S@](C)=O 12479474 DWSZRCSZGHPDFU-DINSCKPSSA-N 432.567 3.153 0 3 IGAF CO[C@H]1CCCN(Cc2c(C(=O)N3CCN(C4CCCCC4)CC3)nc3ccccn23)C1 55183260 ZQBKMJKUVAUQRW-NRFANRHFSA-N 439.604 3.036 0 3 IGAF C[C@]1(C(=O)Nc2ccc3c(c2)OCCO3)CCC(=O)N1C1CCN(Cc2ccccc2)CC1 199397009 YGUUPFWJMHHXLL-AREMUKBSSA-N 449.551 3.442 0 3 IGAF COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 4081408 VPAFVWRFGMKFST-SLYNCCJLSA-N 441.915 3.225 0 1 IGAF COc1ccccc1Cn1ccc2c(c1=O)c1cccc(OC)c1n2CCN1CCOCC1 13519855 YUASKJNKSPZTCR-UHFFFAOYSA-N 447.535 3.354 0 1 IGAF COc1ccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1 20138383 WXLDDNHCXBQERH-VKDGWMQASA-N 440.471 3.154 0 1 IGAF O=C(S[C@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1cccc(F)c1)c1ccccc1 27311301 WLGHXEUSLXKRDG-QZTJIDSGSA-N 429.469 3.416 0 1 IGAF CS(=O)(=O)c1ccc(C(=O)c2sc(N3CCOCC3)nc2-c2ccccc2)cc1 40845187 LOVRMOJRCGLSNC-UHFFFAOYSA-N 428.535 3.281 0 1 IGAF COc1ccc(NC(=O)Nc2cccc(C(=O)NCC[C@H]3CCCNC3)c2)cc1OC 49803602 WFABZGIOZISUAJ-MRXNPFEDSA-N 426.517 3.467 0 1 IGAF CCC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2cncn2)cc1 103244546 LNTUKAZVXMLLCV-UHFFFAOYSA-N 426.542 3.407 0 1 IGAF N=C(N)NCCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O 143881000 PUMGLRKCTPGWSJ-UHFFFAOYSA-N 439.608 3.041 0 1 IGAF O=C(N1CCc2ccc(C(F)(F)F)cc2C1)[C@]12CCO[C@H]1C[C@@H](NC1CCOCC1)C2 169706000 HBUDXPHYMVPJQY-URVUXULASA-N 438.490 3.296 0 1 IGAF CCCCc1ccc(-c2csc(N3C[C@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)cc1 299876895 GLCARHVYWQDITM-SBHAEUEKSA-N 429.586 3.388 0 1 IGAF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)ccc1Cl 586963240 GGHARQLWRDUICP-UHFFFAOYSA-N 449.327 3.155 0 1 IGAF CCOC(=O)CC[C@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599321 WTRRSKPMODHAGK-NFBKMPQASA-N 428.437 3.389 0 1 IGAF Cc1c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnc2c(C(=O)O)cnn12 587797786 TYWHSZZNLPCRKM-HOGDKLEQSA-N 433.281 3.435 0 1 IGAF CNS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587842259 TXKQTWDTOIKPFZ-ADLMAVQZSA-N 427.339 3.294 0 1 IGAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4nc5ccccc5[nH]4)CC3)cc21 653701744 ZHPJXFAZZBEUPZ-UHFFFAOYSA-N 435.459 3.062 0 1 IGAF O=C(CCN1CCN(Cc2ccccc2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 1857555870 KDOSXLXAQVBMKD-UHFFFAOYSA-N 426.992 3.197 0 1 IGAF COc1cc(=O)oc2c1[C@H](O[C@@H]1O[C@@H](C)[C@@H](C)c3oc(=O)cc(OC)c31)O[C@H](C)[C@@H]2C 2356561612 CGCDOVOCJQXOOK-RWNLFWGGSA-N 434.441 3.369 0 1 IGAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1CC1=C(N[C](NCc3ccccc3)S1)[C@H]2CC(=O)O 2356859001 WGLAFNBGTRVYKD-CCTQRRSZSA-N 431.578 3.042 0 1 IGAF COCCNC(=O)C[C@@H]1C[C@H](C(C)C)[C@@H](CNS(=O)(=O)Cc2ccccc2)C=C1C 2356860095 UBNXQVIDSUCQEO-BHDDXSALSA-N 436.618 3.113 0 1 IGAF C[C@@H](NC(=O)c1[nH]cnc1C(=O)NCCCCCNC(=O)OC(C)(C)C)c1ccccc1 61949674 DNPUXVLTCAUWNA-MRXNPFEDSA-N 443.548 3.326 0 3 IGAF Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(C(=O)C5CCCCC5)C4)nc2-3)c1 103969647 PCVZQJIWPGCDHM-LJQANCHMSA-N 448.571 3.418 0 3 IGAF O=C(CN1CCCN(Cc2ccccc2F)S1(=O)=O)Nc1ccc(F)c(Cl)c1 8594270 OCFGAGWBLIZWFV-UHFFFAOYSA-N 429.876 3.009 0 1 IGAF Cc1cc(-c2cc(-c3nc4ccc(CN5CCN(C)CC5)cc4[nH]3)c(O)nn2)cc(C)c1O 23247659 HVQKVUBZVRHAFV-UHFFFAOYSA-N 444.539 3.462 0 1 IGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)[C@@H](O)C[C@]32O)C1 26989359 IBVUJOOHHPQIOV-MDMGGEJGSA-N 432.557 3.146 0 1 IGAF COc1ccc([C@@H]2Oc3c(ccc(OC)c3OC)[C@H](OC(C)=O)[C@@H]2OC(C)=O)cc1OC 32221527 BSMSXNNOCRXXHE-IEIRFRATSA-N 446.452 3.391 0 1 IGAF biogenic CCOc1cc2nnc(C(N)=O)c(Nc3cc(C)ccc3F)c2cc1N1CCN(C)CC1 66098469 NYEZEWLNXPKHNM-UHFFFAOYSA-N 438.507 3.070 0 1 IGAF COc1ccc([C@]2(c3cccc(Br)c3)N=C(N)N3CC(F)(F)CN=C32)cc1 73313178 LVXQBMQMTVLGNH-LJQANCHMSA-N 435.272 3.379 0 1 IGAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCCCC3)N(Cc3ccccc3)[C@@H]21 95881088 LIQBEMNAEMNYJI-KDHARWARSA-N 447.579 3.058 0 1 IGAF O=C(O)C1CN(Cc2ccc(-c3noc(CCC4(c5cccnc5)CCOCC4)n3)cc2)C1 113878012 AAYNBQNCKLYKNA-UHFFFAOYSA-N 448.523 3.329 0 1 IGAF Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1C1=C[C@@H](N)[C@@H](O)CC1 140137213 WTOKEDYFEBJMDY-XLIONFOSSA-N 437.450 3.122 0 1 IGAF Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc3c(c2)CC[C@H]3NC(=O)C2(N)CC2)no1 142262530 STNBXDIHDUXATH-MRXNPFEDSA-N 427.867 3.494 0 1 IGAF Cn1cc(-c2cc(C(=O)N3CC[C@@H](O)C3)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144826752 PPDJXPVFVJUSRU-IVZQSRNASA-N 443.425 3.073 0 1 IGAF Cc1cn(-c2ccc3n(c2=O)CCN(C[C@@H]2CC[C@H](c4ccc(Cl)cc4)O2)C3=O)cn1 221541338 RMKKWFPDVWIISU-GHTZIAJQSA-N 438.915 3.372 0 1 IGAF C/C=C(/C)C(=O)O[C@]1(C)C(=O)O[C@H]2[C@@H]3C(C)=CC[C@@H]3[C@@](C)(O)C[C@H](OC(=O)/C(C)=C/C)[C@H]21 238764098 BCRODGCGQKENCQ-UVTHEXCGSA-N 446.540 3.411 0 1 IGAF COC(=O)c1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2n1 586936988 OQKFVYXLBOEWNJ-HNNXBMFYSA-N 448.570 3.134 0 1 IGAF N=c1[nH]c2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc-2c(Cl)[nH]1 587140184 IABDWKQHHBAJCS-UHFFFAOYSA-N 436.831 3.116 0 1 IGAF COc1ccc(Cl)cc1[C@]1([C@@H]2CCCN(C=O)C2=O)CC(=O)c2cc(C)cc(N)c2O1 587379969 ZIRFZNIICAPBFY-WAIKUNEKSA-N 442.899 3.495 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)N(CCC(=O)O)c1ccccc12 587772767 WIJIJXMCVDMJPN-PRWKNARSSA-N 433.277 3.187 0 1 IGAF CCc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccc(F)cc1F 1857766487 VPTNFALPOWAFFL-UHFFFAOYSA-N 442.447 3.398 0 1 IGAF COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5ccc(OC)cc5c4CCN3C[C@H]2CC[C@H]1OC(C)=O 2356501103 NTXLLYBCTDRDHP-KAMFCVTASA-N 426.513 3.227 0 1 IGAF COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)NC1CCCCC1 12480072 PBZINSIAANDJFZ-FXAWDEMLSA-N 446.569 3.296 0 3 IGAF CSc1nc2n(n1)[C@H](c1cc(Br)ccc1F)C(C(=O)N(C)C)=C(C)N2 13123727 SNWWQRITSUDZLL-CYBMUJFWSA-N 426.315 3.279 0 3 IGAF CN1[C@H](C(=O)NCc2cccc(Br)c2)C[C@H]2Cn3c(nc4ccccc43)[C@H]21 253978875 UMLIEVFDAPIGBA-JVPBZIDWSA-N 425.330 3.490 0 3 IGAF CN(C)c1ccc(C2=NO[C@@H](c3ccoc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 4045227 JOFHNBAQQSFJQI-FJIJXJHWSA-N 433.508 3.157 0 1 IGAF O=C(O)c1cccc(S(=O)(=O)NN2C(=O)CS[C@H]2c2ccc(Cl)cc2Cl)c1 5955481 IBTOSTKIDLKSIR-HNNXBMFYSA-N 447.321 3.159 0 1 IGAF CC(C)(C)CCNC(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 49055680 KZRZZKLRPGMCGD-SFHVURJKSA-N 430.520 3.090 0 1 IGAF O=C([C@H]1CCCO1)N1CCN(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)CC1 72180310 KUONYQIPPHYTPH-QGZVFWFLSA-N 425.407 3.063 0 1 IGAF C[C@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc(F)cc1 82136389 MVXSWTPDJDNECG-RIFZZMRRSA-N 439.535 3.293 0 1 IGAF O=C(Nc1ccccc1)c1cccc(CN2CCN(C(=O)n3nnc4ccccc43)CC2)c1 95577281 DCVLGQNYMNDDTI-UHFFFAOYSA-N 440.507 3.470 0 1 IGAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2-c1cccnc1 103242873 PJBBHYAGLPBHFZ-VWLOTQADSA-N 425.444 3.142 0 1 IGAF O=C(NC1CCCCCC1)c1cc(-c2ccc(F)cc2)cn(CCN2CCOCC2)c1=O 103266696 QLYLQZDQDIQXQW-UHFFFAOYSA-N 441.547 3.439 0 1 IGAF O=c1nc2scc(-c3ccccc3OCCN3CCOCC3)n2nc1Cc1ccccc1 169341225 DJCXLLKQZIGAGT-UHFFFAOYSA-N 448.548 3.120 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N4CCC(F)(F)C4)c3F)C2)cc1 261079564 BMJACTBSGRCTQK-KBXCAEBGSA-N 449.477 3.316 0 1 IGAF COc1cc(C)cc(-c2nn(C)cc2-c2cc(N3CC(O)C3)nc(-c3cccnc3)n2)c1 299840076 VLSZRXXONYVLED-UHFFFAOYSA-N 428.496 3.104 0 1 IGAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccccc5F)CC4)[C@@H]3[C@@H](O)[C@@]21C 504714236 DLPGSFRECXFFPX-GNPLTTSQSA-N 428.548 3.233 0 1 IGAF biogenic CCN1N=C(C(=O)O)[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc3c(cc21)OCO3 587518951 RIGHPGJWUYOECR-XMMPIXPASA-N 434.448 3.435 0 1 IGAF O=C(c1ccc(N2CCOCC2)cc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593128 JJNAUAODFARATK-BWKNWUBXSA-N 431.444 3.442 0 1 IGAF C=CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2OC(F)(F)F)C1 621485919 UBBMYYMRIWXWQB-LLVKDONJSA-N 426.844 3.154 0 1 IGAF Cc1cccc(N2CC[C@H]3CN(CCCSc4nnc(-c5cnccn5)n4C)C[C@H]32)c1 653723358 XLJQOKQZCYRQNN-GHTZIAJQSA-N 435.601 3.273 0 1 IGAF COc1cc([C@]2(C[C@H](C)CC(=O)O)NCCc3c2c(C(C)C)nn3C)cc(OC)c1OC 962921298 SLFSSEHMWWSJMM-MYYSRTQBSA-N 445.560 3.460 0 1 IGAF CCOC(=O)c1ncccc1[C@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963132683 CCGDXUQPVUCMGD-ZFWWWQNUSA-N 433.486 3.051 0 1 IGAF COC(=O)[C@H]1CSC[C@@]12c1ccc(C)cc1C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C 963831842 JZKPKMGRBJBPGH-ZDPZECHZSA-N 435.542 3.363 0 1 IGAF Nc1nccc(-c2cn(S(=O)(=O)c3ccc(Br)cc3)c3ncccc23)n1 1772604211 LQXPENSRYBMCCD-UHFFFAOYSA-N 430.287 3.075 0 1 IGAF COc1ccc(-c2c3c(nn2CCO)CCc2c-3cc(OC)c(OC)c2OC)cc1F 1857550313 BQPMYLCKNZZHQH-UHFFFAOYSA-N 428.460 3.482 0 1 IGAF CN[C@H]1CCCN(Cc2csc(-c3ccc(Cl)c(NC(=O)c4coc(=N)[nH]4)c3)n2)C1 1857560451 OHTWLXNDNAXMQL-ZDUSSCGKSA-N 446.964 3.300 0 1 IGAF FC(F)(F)Oc1ccc(CN2CC3(CN(Cc4ccccc4)C[C@H]4COCCN43)C2)cc1 2356606754 CXYBFKAIHPFTSE-NRFANRHFSA-N 447.501 3.356 0 1 IGAF COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccccc1)CCCC2 13608899 JQGNJUHTHIGZBR-UHFFFAOYSA-N 434.492 3.097 0 1 IGAF CCOc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CC4)CC(=O)N23)cc1OC 16032630 BENGHDNIFQVXNW-NLFFAJNJSA-N 445.519 3.423 0 1 IGAF biogenic COc1cc2nc(N3CCN(C(=O)c4ccc5ccccc5c4)CC3)nc(N)c2cc1OC 25963685 RNQYGMOUFHXINE-UHFFFAOYSA-N 443.507 3.345 0 1 IGAF O=C(NC1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)N1CC[C@H](O)C1 42989568 CTRFGUFUXSJXQG-FQEVSTJZSA-N 436.478 3.237 0 1 IGAF COc1cccc(-n2c(=O)n(Cc3c(F)cccc3OC)c3cnc(NC4CC4)nc32)c1 45496368 QCPZDWSHEPNHDV-UHFFFAOYSA-N 435.459 3.361 0 1 IGAF NS(=O)(=O)c1cc(C(=O)CSc2nc3cnc4ccccc4c3[nH]2)ccc1Cl 64512738 APUFNRAMLCSAKF-UHFFFAOYSA-N 432.914 3.387 0 1 IGAF in-vitro C[C@H](NC(=O)c1ccccc1)C(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 73298657 SXOJFGMXGDJOOS-WMZHIEFXSA-N 430.504 3.389 0 1 IGAF O=C(NC1CCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 95795594 GLQQPHVYVKRUCN-WPFOTENUSA-N 437.515 3.116 0 1 IGAF CCC(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@H]2C1 95873664 QXERRVTTWGDQIQ-MZKUHISZSA-N 449.595 3.217 0 1 IGAF Nc1nc(O)c(Br)c(-c2cc(Br)c(O)c(Br)c2)n1 100807838 HTQAPXQPFRWHIT-UHFFFAOYSA-N 439.889 3.425 0 1 IGAF CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(F)ccc3N2)c(O)c2ccccc21 101997338 SRSIQPSVGRKRHE-UHFFFAOYSA-N 429.473 3.453 0 1 IGAF Cn1nccc1[C@H]1CCC[C@@H]1Oc1ccc(S(=O)(=O)Nc2ccncn2)c(F)c1F 144346197 WMJRYBDMGFCCAB-OCCSQVGLSA-N 435.456 3.004 0 1 IGAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1 169722959 OOADVIIECQPAAP-UAGQMJEPSA-N 445.314 3.378 0 1 IGAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@]1(C)c1cc(OC)c(OC)c(OC)c1 299834326 LEYMCINOTNJMAQ-RPWUZVMVSA-N 444.480 3.285 0 1 IGAF COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@]5(C)[C@H](O)[C@H]43)CC2)c1 504294212 HDQONPFINLODRO-FQIPZWNTSA-N 440.584 3.102 0 1 IGAF biogenic N[C@@H](CP(=O)(O)O)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586921196 AEOAYTGCZAGYDF-LBPRGKRZSA-N 426.207 3.082 0 1 IGAF CCc1ccc2nc([C@@H]3CCCN3C(=O)CNS(=O)(=O)c3ccc(C)cc3)[nH]c2c1 586940580 XXVDJEBVLAYISI-FQEVSTJZSA-N 426.542 3.076 0 1 IGAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2nc(Br)c[nH]c-2n1 586983715 BRCUCOIWEYAJHB-NSHDSACASA-N 439.111 3.249 0 1 IGAF O=C(CCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024329 VSJZJVZYBWMJKM-UHFFFAOYSA-N 434.460 3.373 0 1 IGAF Cc1ccc(S(=O)(=O)NNC2=CCC[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C2)cc1 587410441 SYTCXSFZBYNTER-JOCHJYFZSA-N 427.526 3.141 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(OC)c(OC)c1)CC2=O 587484222 XEVBUOXWEOHIJO-DEOSSOPVSA-N 442.464 3.355 0 1 IGAF Nc1cc(Br)ncc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962696656 AJACMTYLBRABDC-TZMCWYRMSA-N 434.187 3.273 0 1 IGAF COc1ccc2c(c1OC)[C@@](C)(c1cnn(C)c1C(C)=O)N(C(=O)c1ccccc1N)CC2 963148983 CXZATLZYTBHCRY-RUZDIDTESA-N 448.523 3.184 0 1 IGAF O=S(=O)(NCCNC/C=C/c1ccc(-c2cccnc2)cc1)c1ccc2[nH]ncc2c1 1857571077 UYNXROOFTZJZCS-HNQUOIGGSA-N 433.537 3.206 0 1 IGAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@@]5(CCNC5)C4)cc3)sc2n1 1857581480 QQZKPZMXTUQJLK-XMMPIXPASA-N 435.597 3.349 0 1 IGAF CC(=O)OCC(=CCCC(=CCO)CO)CCC=C(CCC=C(C)CO)COC(C)=O 2356473430 FMYIRFBIXBPEGS-UHFFFAOYSA-N 438.561 3.156 0 1 IGAF Cc1c(S(=O)(=O)Nc2ccc(C(=O)O)cc2S(C)(=O)=O)sc2ccc(F)cc12 13587582 DGOMUEVSEJYCAW-UHFFFAOYSA-N 443.499 3.251 0 1 IGAF CC(C)[C@@H](NC(=O)CN1CCc2c([nH]c3ccc(Cl)cc23)C1=O)C(=O)C(F)(F)F 13740120 LQDUUYPWLMAYCF-OAHLLOKOSA-N 429.826 3.092 0 1 IGAF O=C(c1ccc(OCCCN2CC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1)C1CC1 13859884 WLLPQVLLLQINAX-FQEVSTJZSA-N 446.544 3.240 0 1 IGAF COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@@H]1[C@H]3C/C(=C/CCCC(=O)O)C[C@@H]3C[C@H]1O)O2 26144522 VKZZNADKILHZFB-MKBBXXRYSA-N 444.524 3.340 0 1 IGAF O=C1NCCN1CCN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 26382154 MYVPKBWFYFYMBK-FYYLOGMGSA-N 426.511 3.184 0 1 IGAF CC(C)C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21 28899913 JHTLAAWJQMVUGR-RBBKRZOGSA-N 426.561 3.151 0 1 IGAF Cc1nc2c(n1Cc1ccc(-n3cccc3-c3nn[nH]n3)cc1)/C(=C/C(=O)O)CCCC2 29390941 VVFWPAJOSJSVCX-GHRIWEEISA-N 429.484 3.405 0 1 IGAF CN1CC(=O)N2[C@H](c3ccc(Br)s3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 33965035 KUYGOKWGSHFXJD-FZKQIMNGSA-N 430.327 3.307 0 1 IGAF CNC(=O)c1cn(C)c2c1C(C)(C)Cc1cnc(Nc3cccc(N4CCOCC4)c3)nc1-2 64527923 DQTYIXJUPCXXJY-UHFFFAOYSA-N 446.555 3.256 0 1 IGAF CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccccc3)CC2)c(Br)c1 71281986 GRZXLXQVIXOIEI-UHFFFAOYSA-N 433.306 3.375 0 1 IGAF CS(=O)(=O)c1cccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)cc4)nn23)c1 96169603 YRCDOYLNWDMYBP-UHFFFAOYSA-N 449.536 3.380 0 1 IGAF COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)NCCN(C)C)ccc4c3c2)c1 113262148 BUIDHGWWDFRCDJ-UHFFFAOYSA-N 430.508 3.387 0 1 IGAF COCC1(COC)C[C@@H](NC(=O)Nc2ccc3c(c2)NC(=O)CC3)c2cc(F)ccc2O1 143358926 IIDZIPCPTHVKMP-LJQANCHMSA-N 443.475 3.387 0 1 IGAF O=C(NC[C@@H](O)CO)c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1 169710695 OFONJYAOQLVHJY-SJLPKXTDSA-N 426.494 3.085 0 1 IGAF CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)C[C@H](CCC(=O)O)C(=O)O 253639331 SBSLGLKCPLPONN-JLJPHGGASA-N 429.406 3.121 0 1 IGAF CCCC[C@H](CN(O)C=O)C(=O)N1[C@H](C(=O)Nc2ncc(C)s2)C[C@H]2CCCC[C@@H]21 299830357 IJANCJSUZLRSBN-BDXSIMOUSA-N 436.578 3.204 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)nn3C)c(=O)c3ccccc23)c(O)c1 587667171 IEIPFMNBDLMYDI-UHFFFAOYSA-N 431.496 3.346 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3ccccc3Sc3ccccc3)N2C(=O)[C@@H]2CCCN12 963220131 MDXDNIMAJOEQRV-CNNODRBYSA-N 430.533 3.408 0 1 IGAF CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[C@]21c2c3c(cc4c2OCCO4)CC(=O)N1CC3 963268875 AANLQOQLSNWEKJ-CCHLGUQTSA-N 426.513 3.013 0 1 IGAF CC(=O)CC[C@]1(c2ccc(C3OCCO3)s2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963507658 IVMLSPLUQVJDTH-OYHNWAKOSA-N 431.510 3.019 0 1 IGAF CO[C@@H]1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1 1772622835 UBWQXMNONAOJFA-HSZRJFAPSA-N 435.572 3.140 0 1 IGAF O=C(O)C[C@H]1CCN(C(=O)COc2ccccc2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356562675 ZXWYPKDJRVLUHV-HZPDHXFCSA-N 425.460 3.263 0 1 IGAF O=C(CCC(=O)N1Cc2ccccc2Oc2ncccc21)N1CCN(c2ccccn2)CC1 9228921 UPAKRQIYDZIGAC-UHFFFAOYSA-N 443.507 3.245 0 1 IGAF Cc1nc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2onc(C)c2Cl)c(C)n1 13801662 QJBYQUFPDVTSCC-UHFFFAOYSA-N 441.922 3.466 0 1 IGAF CC1CCN(c2c(NCC3CCC(C(=O)N[C@H]4CCCC[C@@H]4C)CC3)c(=O)c2=O)CC1 20418582 MSAFLELAJFFFRP-FVELJTHGSA-N 429.605 3.432 0 1 IGAF Nc1ncnc2c1ncn2CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 26577915 ZCUXKWSSFIAIGA-UHFFFAOYSA-N 427.556 3.206 0 1 IGAF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)c1ncc[nH]1 26827683 DFURGTGXWAWNSJ-OALUTQOASA-N 428.533 3.464 0 1 IGAF N=C(N)c1ccc2c(c1)c(CC(=O)O)cn2CC(=O)N1CCC(Cc2ccccc2)CC1 28011747 FSAOWFOCNKFJSR-UHFFFAOYSA-N 432.524 3.034 0 1 IGAF CC(C)(O)[C@@H]1Cc2c(c3c(c4c2O[C@@H](c2ccc(O)cc2)CC4=O)O[C@H](C(C)(C)O)C3)O1 34165797 MLJXXOUQWDXXEA-QYZOEREBSA-N 440.492 3.248 0 1 IGAF biogenic C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2cccc3ccccc23)cc1 40404403 PIVNGXBEHZASHC-QFIPXVFZSA-N 444.424 3.227 0 1 IGAF COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC)cc1N(C)C 66101631 JSAFTXURJJRXTD-UHFFFAOYSA-N 431.441 3.275 0 1 IGAF CCc1nc(C(=O)N2CCC[C@H]2C(=O)NC2CCN(Cc3ccccc3)CC2)cs1 82073162 DKGRXDPCZYEKSC-FQEVSTJZSA-N 426.586 3.091 0 1 IGAF O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1C(=O)NCCc1ccccc1 95872281 DXBXAKFDMQPVBU-VJBWXMMDSA-N 434.536 3.362 0 1 IGAF COc1cccc2c1OCCc1sc(N[C@H]3CC[C@H](CNS(C)(=O)=O)CC3)nc1-2 101444568 GGELRVVPIYDUJD-OKILXGFUSA-N 437.587 3.274 0 1 IGAF C[C@H](O)C(=O)N(CCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1 117287710 JBMRKAMTXGNSNR-IODBPXAYSA-N 449.595 3.296 0 1 IGAF Cc1ccc(-c2c(-c3nn(C)c4ncnc(N5CC(c6ccn(C)n6)C5)c34)cnn2C)cc1 169706073 MRPNSMNORVBWJU-UHFFFAOYSA-N 439.527 3.077 0 1 IGAF NCCCCCc1c(O)n([C@H](CC2CCCCC2)C(N)=O)c(=O)n1Cc1ccccc1 169715826 WZNJMJDASIGPCF-OAQYLSRUSA-N 428.577 3.072 0 1 IGAF CC(C)=CCc1c(O)ccc2c3c([nH]c12)C(C)(C)[C@H]1C[C@]24CCCN2C(=O)[C@@]1(C3)NC4=O 219952132 RWBYEKCUNMXINJ-PBXQCXKZSA-N 433.552 3.466 0 1 IGAF Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@H]1C(=O)Oc2ccc(O)cc2C1=O 587562680 IDXJVWOFXQMLED-RBUKOAKNSA-N 443.415 3.000 0 1 IGAF Cc1cc(C(F)(F)F)ccc1-n1nnnc1Oc1ccc([C@H]2CC[C@@H](C(N)=O)N2)cc1 1857582368 DQDCEAZZKSNBOD-CVEARBPZSA-N 432.406 3.060 0 1 IGAF COC(=O)[C@@]12C(=O)[C@@H](C)C(=O)[C@@]1(C)C(C)=C[C@@H]1[C@@]3(CO)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 2356317604 FPTYSBCRIPGIMB-WGPINCKBSA-N 446.584 3.092 0 1 IGAF CC(=O)O[C@H]1C[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1C1=CC(=O)OC1 2356384018 IWCNCUVTGOMGKG-JLKVEGBASA-N 432.557 3.146 0 1 IGAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@@H](COC(=O)CCC(=O)O)[C@]2(C)CCC1=CC(=O)OC1 2356580445 VSTUTLIQELECLS-CVOKMOJFSA-N 434.529 3.408 0 1 IGAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)C/C=C/c1ccccc1 61925952 XCBOYGOFCIXMSI-TYOLEZHBSA-N 432.929 3.239 0 3 IGAF CN1O[C@](C)(CC(=O)NCc2ccc3c(c2)OCO3)N=C1c1cccc(C(F)(F)F)c1 205233427 IPNYYYCLCXHANJ-HXUWFJFHSA-N 435.402 3.480 0 3 IGAF OCc1cc([C@@H](O)CNCCCCCCOCCOCc2ccc(O)cc2)ccc1O 3991628 OQQNKEIGGYNMRM-DEOSSOPVSA-N 433.545 3.007 0 1 IGAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@H](O)[C@@](C)(CCl)O4 13436944 NNJJOCIRDTYCJY-QTDGGUCWSA-N 446.883 3.117 0 1 IGAF biogenic CN(C(=O)CNCCN1C(=O)CC2(CCCC2)CC1=O)c1cc(Cl)ccc1Cl 13560150 JQADWKQLVHNXRA-UHFFFAOYSA-N 426.344 3.255 0 1 IGAF C[C@H]1c2nnc(C(F)(F)F)n2[C@@H](C)CN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 28967412 VDLQLESOGPTTOL-ATZCPNFKSA-N 435.372 3.139 0 1 IGAF Cc1cc(C)c2c(Cn3c(=O)n([C@H](CC(=O)O)C4CC4)c(=O)c4ncccc43)cn(C)c2c1 68244699 IRICZPDCTXBZBC-LJQANCHMSA-N 446.507 3.141 0 1 IGAF COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)no2)cc1S(=O)(=O)N1CCCC1 71928049 LEBINJOZQVQPIE-HNNXBMFYSA-N 433.530 3.149 0 1 IGAF O=C(C[C@@H](c1ccccc1)C(C(=O)O)C(=O)O)c1ccc(I)cc1 95579058 RLEQHNWKPHJQER-AWEZNQCLSA-N 438.217 3.433 0 1 IGAF CN1CCN(CCCNC(=O)[C@@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)CC1 104250934 UYXNOPDNNHCXGE-CTNGQTDRSA-N 447.004 3.247 0 1 IGAF CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1cccnc1 207106126 HWOMYDFCOYGDGD-UHFFFAOYSA-N 429.498 3.400 0 1 IGAF COC(=O)c1cc2[nH]c(-c3sccc3S(=O)(=O)NCc3ccco3)nc2cc1OC 586945723 LNNVCEZZZZYMIE-UHFFFAOYSA-N 447.494 3.158 0 1 IGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@H]2CCCC[C@H]21 586959421 KMUZOEWYGYQFLS-LPTQZCDUSA-N 449.540 3.233 0 1 IGAF CC1=C(c2ccc3[nH]c(-c4nnsc4NC(=O)OC(C)(C)C)nc3c2)NNC(=O)C1 587039890 WUNASPMPIATOLU-UHFFFAOYSA-N 427.490 3.184 0 1 IGAF COC(=O)c1ccnc2[nH]c(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)nc12 587140797 FWOHAMBYIRKYCW-UHFFFAOYSA-N 444.419 3.491 0 1 IGAF Cn1nc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(I)c1C(=O)O 587180077 KWMQJQLAUNWLEX-UHFFFAOYSA-N 436.131 3.285 0 1 IGAF CCOC(=O)C[C@@]1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 587397242 YPCOFBJGFIBSMO-IQMFZBJNSA-N 432.517 3.491 0 1 IGAF CN(C)S(=O)(=O)c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587609053 UMFGWMLVDMEQEN-SIKLNZKXSA-N 425.462 3.345 0 1 IGAF CN(C[C@H]1Cc2c(cccc2N2CCN3CCC[C@H]3C2)CN1)[C@H]1CCCc2cccnc21 1857745346 QQPRUHDPQBQAIQ-UMFSSWHCSA-N 431.628 3.390 0 1 IGAF NS(=O)(=O)c1ccc(-c2nc(=Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3[nH]2)cc1 1857748962 XUQQFBJTQJYWPD-UHFFFAOYSA-N 440.916 3.364 0 1 IGAF COC(=O)c1ccccc1NC(=O)[C@H](C)n1nc(C)c2c(C)n(-c3ccccc3)nc2c1=O 15943132 VYKUKCYBGILKIB-INIZCTEOSA-N 445.479 3.185 0 3 IGAF Cc1ccccc1S(=O)(=O)NC(=O)[C@]1(C)CCN1C(=O)Cc1ccc(C(C)(C)C)cc1 61929533 LNJDIUCFAAEHMF-DEOSSOPVSA-N 442.581 3.331 0 3 IGAF Cc1ccc(Cn2cc(CN(C)S(=O)(=O)c3ccccc3Br)nn2)cc1 96019395 PRDPTCILEXKRKC-UHFFFAOYSA-N 435.347 3.218 0 3 IGAF CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C3=C[C@]34NC(=O)[C@@]5(CCCN5C3=O)C[C@H]4C2(C)C)O1 602621 ALXLLOQTGLPCFG-FMLDBKJISA-N 445.519 3.140 0 1 IGAF C[C@@H]1CCN2C[C@@]34C[C@@]5(C(=O)Nc6c5ccc5c6C=CC(C)(C)O5)C(C)(C)[C@H]3C[C@@]12C(=O)N4 3805502 PFLGUWRTTGBMJK-ZYAJUUCBSA-N 447.579 3.460 0 1 IGAF biogenic O=C(NC1CCN(Cc2ccccn2)CC1)[C@](O)(c1ccccc1)[C@@H]1CCC(F)(F)C1 13835842 MTBIBWFHYCAYTO-DVECYGJZSA-N 429.511 3.485 0 1 IGAF CCN(CC)C(=O)CNC(=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 26392712 BSJSJGWDVZKDCR-PXYHWRQUSA-N 445.648 3.451 0 1 IGAF C[C@@H](C(=O)Nc1ccccc1)[C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23 29326915 SMNDSOQZBJYLJC-BZNIZROVSA-N 428.286 3.214 0 1 IGAF CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](C)N(C)C(=O)CCC(C)C 40873434 NKFWCEAWYLPBHG-ANULTFPQSA-N 441.657 3.104 0 1 IGAF CCN(CC)CCN(C)C(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O 49067305 BAYXBWKQTLRHKB-UHFFFAOYSA-N 429.524 3.351 0 1 IGAF CCc1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)OCCc2ccccn2)cs1 82074665 ZCMSCUHYRFRTJE-IBGZPJMESA-N 439.537 3.202 0 1 IGAF COc1cc(-c2nc(N3CCCCC3)ncc2C(=O)N2CCCC2)cc(OC)c1OC 82143886 SOAKZQBXAKZGQF-UHFFFAOYSA-N 426.517 3.396 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@@H]3C)c(-c3ccccc3F)n2)CC1 82216998 FNAJLPLUKYBXKH-KKSFZXQISA-N 439.535 3.260 0 1 IGAF CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 95885984 IQIGJWNUIWVINT-ACZWYYKOSA-N 445.387 3.019 0 1 IGAF O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[C@H](CC(=O)N2CCCCC2)O[C@H]1CO 95907712 ZCCXSOMXQVMJIM-KURKYZTESA-N 443.466 3.138 0 1 IGAF CN1CCN(CCCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)CC1 104199922 WBMUSPXXVDKBJN-TZIWHRDSSA-N 447.004 3.247 0 1 IGAF COc1ccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCc2ccccc2)cc1OC 169687187 MLZAAXOETAHQQS-VXKWHMMOSA-N 433.460 3.491 0 1 IGAF CC[C@H](c1nc2c(S)nc(S)nc2[nH]1)n1cc(I)c(C)n1 587185731 XFUZIYCFAYQRPN-SSDOTTSWSA-N 432.316 3.039 0 1 IGAF CC[C@H](c1nc2nc(Br)c[nH]c-2n1)n1cc(I)c(C)n1 587185764 NXOLVZRJTHSUTG-MRVPVSSYSA-N 447.078 3.176 0 1 IGAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@@H]2CCCO[C@@H]2C1(C)C 587238824 GJTWNJDXKJPLRE-DFFZLKDPSA-N 442.516 3.449 0 1 IGAF COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)N[C@@H](C)Cc1ccc(F)c(Br)c12 587808714 PDAFGHYOXZWXOC-VCLWLLERSA-N 428.298 3.080 0 1 IGAF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2c(Cl)nc3ccccn3c2=O)N1 962707740 YCSBBQHKIZKGOV-SWLSCSKDSA-N 441.768 3.194 0 1 IGAF O=C(NCCCCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccccn2n1 1772574848 ASYRWYXXPRLTPR-UHFFFAOYSA-N 439.535 3.015 0 1 IGAF CNC(=O)c1ccnc(OCCCCN2CCN(c3nsc4cc(F)ccc34)CC2)c1 1857760505 IPVLSOVWVUCPMD-UHFFFAOYSA-N 443.548 3.171 0 1 IGAF CC(C)(C)c1[nH]cnc1/C=c1\nc(O)/c(=C/c2cccc(Oc3ccc(F)cc3)c2)nc1O 1911576394 CALJDDPCVHTIDS-FDYZEBBJSA-N 446.482 3.497 0 1 IGAF COc1cc([C@@H]2Oc3cc4oc(=O)ccc4cc3O[C@H]2C=CCO)cc(OC)c1OC 2356451723 PJMNFKDJPUENND-NYHFZMIOSA-N 426.421 3.248 0 1 IGAF CC[C@H](C)NS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)N[C@H](C)CC)cc2)cc1 3017756 UGUUICYJPDRYEB-CALCHBBNSA-N 438.615 3.431 0 1 IGAF CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(CCO)C(=O)[C@@H]13 5226329 OIKFDHXDOGJMOI-NLFJYVJWSA-N 443.584 3.490 0 1 IGAF COc1ccc(Oc2ccc(F)cc2)cc1CCC[C@H](P(=O)(O)O)S(=O)(=O)O 45505861 RCEOJTHKSXBGNA-QGZVFWFLSA-N 434.378 3.341 0 1 IGAF COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(OC)cc2OC)CN1C/C(C)=C/c1ccccc1 59790594 FIIDTXDIZUQAPL-IIXJCWKDSA-N 438.524 3.153 0 1 IGAF Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(=O)(=O)C(C)C)cc2=O)nc1 71281958 XUWRROPUMUCUIS-IBGZPJMESA-N 431.558 3.494 0 1 IGAF CC(=O)NCCNC(=O)c1cnc(NCc2cccc(Cl)c2)nc1-c1ccc(F)cc1 82141295 POFWCTVZDTWVDY-UHFFFAOYSA-N 441.894 3.414 0 1 IGAF O=C(Nc1ccccc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO 95866789 VXOIHSRQZAPVKT-ZNLUXHQJSA-N 439.491 3.205 0 1 IGAF O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1ccccc1F 95894527 ZPDCCBMYJGFFFY-FSSWDIPSSA-N 432.455 3.242 0 1 IGAF CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@H](CO)O1 95901766 ALHQUDNRSCILRO-QXPQREGVSA-N 445.560 3.052 0 1 IGAF COc1ncccc1-c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(CO)c3)nc2n1 168723877 FJOJSNUDKPCMPH-INIZCTEOSA-N 443.507 3.480 0 1 IGAF CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C/C=C/c2ccccc2)C1 169340837 VFZHVGXQUPMIRM-WTUWHVHBSA-N 441.572 3.454 0 1 IGAF N[C@H](C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](NC(=O)c2ccccc2C(F)(F)F)CC1 253693155 VUEHRWGRIOHTDR-XEZPLFJOSA-N 433.421 3.189 0 1 IGAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)c(OC)c1 299883126 QVIRTYGBCOLAKS-GANNEPJESA-N 429.469 3.417 0 1 IGAF 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CCOc1ncccc1-c1noc([C@@H]2CCN2C(=O)c2cc(C)c(C)cc2-n2nccn2)n1 218042146 AZUOKLYRZOAHGG-SFHVURJKSA-N 445.483 3.315 0 1 IGAF CCOC(=O)Cc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587111210 CALJETBHXZIHCE-UHFFFAOYSA-N 430.390 3.389 0 1 IGAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cnc2cc(C(=O)O)nn12 587587854 QFEOBNLFTUYSER-XXBNENTESA-N 431.404 3.319 0 1 IGAF CN1CNC(=O)C12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(C)c3)cc1)CC2 653851550 MMTZCTUXVCJRSF-UHFFFAOYSA-N 436.947 3.161 0 1 IGAF COc1cc([C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ccc1OC(C)=O 962976478 ZYCHNIARLYCSKD-VBKZILBWSA-N 425.815 3.415 0 1 IGAF C[C@@H]1OCC2(CCN(c3ncc(Sc4cccnc4C(F)(F)F)c(O)n3)CC2)[C@@H]1N 1857549613 CUPNFYMVCDYJQD-SMDDNHRTSA-N 441.479 3.080 0 1 IGAF CC(C)(C)N1C(=O)C=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)S1(=O)=O 1857568240 GRGRTUINUULRTB-UHFFFAOYSA-N 444.534 3.190 0 1 IGAF COC(=O)c1cnc(Cc2cc(OC)c(OC)c(OC)c2)c(Cc2ccc(OC)cc2)n1 2356324817 UGWFTBAQGBWWLR-UHFFFAOYSA-N 438.480 3.479 0 1 IGAF C[C@@H](CC[C@@H](O)[C@@H](C)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356450419 UBCPEZWGUOSYHO-LOLZDFJCSA-N 438.649 3.106 0 1 IGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C4=CC(=O)OC4)[C@H](O)C[C@@]32O)C1 2356451506 IBVUJOOHHPQIOV-QKLWYIRSSA-N 432.557 3.146 0 1 IGAF COc1c(C)c(OC(C)=O)cc2c1C(=O)[C@H](OC(C)=O)[C@@H](c1ccc(OC(C)=O)cc1)O2 2356722256 ASHPMUOPXZTLQY-PKTZIBPZSA-N 442.420 3.102 0 1 IGAF O=S(=O)(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCc2ccccc21)c1ccc(Cl)cc1 2356750994 GJZKYBUJSXBBEE-DYXWJJEUSA-N 446.016 3.391 0 1 IGAF NC(=O)CCCn1c(C(=O)c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2[n+]1[O-] 36383474 RDNQQNGMBYMEDJ-UHFFFAOYSA-N 425.794 3.443 0 3 IGAF CN1CCCN(C(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)CC1 201486259 ASWWCRNIHRYUDO-UHFFFAOYSA-N 427.549 3.364 0 3 IGAF O=C(C1CCC(CNS(=O)(=O)c2ccc(Br)s2)CC1)N1CCCC1 2498851 HAKDJLVCERLVQF-UHFFFAOYSA-N 435.409 3.218 0 1 IGAF Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1 3060423 SFPKRZWWKFBVQA-UHFFFAOYSA-N 434.323 3.376 0 1 IGAF O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc(Br)ccc1F 4054923 SVZIUALITLJEEQ-RDJZCZTQSA-N 441.684 3.442 0 1 IGAF COC[C@@H](Cc1cc(OC)c(O)c(OC)c1)[C@@H](COC)Cc1cc(OC)c2c(c1)OCO2 14616692 RYZNPFYAGDHZDT-QZTJIDSGSA-N 448.512 3.457 0 1 IGAF biogenic CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(N(CCO)CCO)nc21 26648943 FHFHOGJPRNILRQ-UHFFFAOYSA-N 446.555 3.477 0 1 IGAF CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3[C@@H](c3ccccc3)S2)CC1 27524661 QJCQBXDZCGETSF-HXUWFJFHSA-N 425.485 3.243 0 1 IGAF CCOc1cc(NC=O)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2ccc(F)cc2)CCO1 27705080 SHDXTHUDHKXGDP-KRWDZBQOSA-N 449.910 3.077 0 1 IGAF CC(C)CCNC(=O)[C@@H](NC(=O)[C@@H](CC(=O)[C@@H](N)CC(C)C)Cc1ccccc1)C(C)C 29203305 QZUXJQWIIVGFJI-GPXNEJASSA-N 445.648 3.481 0 1 IGAF CN(CCCNC(=O)c1ccc(O)cc1)CCCNC(=O)c1ccc2cc(O)ccc2c1 45301082 XWLYCCSVQQIUBD-UHFFFAOYSA-N 435.524 3.123 0 1 IGAF CCCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)CC)C[C@H](C)[C@@H](OC)CN(C)C2=O 95688105 AIFWRYWOLLCZOS-FVJLSDCUSA-N 447.576 3.168 0 1 IGAF CCCN(C)C[C@@H]1Oc2ncc(-c3ccccc3F)cc2C(=O)N([C@H](C)CO)C[C@H]1C 95714941 CVNRQWBSKQLJPT-YVHKJVDXSA-N 429.536 3.450 0 1 IGAF CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1Cc1ccccc1 95881361 AACIVLVPWBHRQJ-HFOXQMJASA-N 447.579 3.106 0 1 IGAF CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5ccccn5)C[C@@H]3N4)cc2)c1 100101596 HASAQXOASNVTDA-UBRQYEGLSA-N 426.520 3.030 0 1 IGAF CCOP(=O)(C[C@@H](O)Cn1cc(Cn2cc(C(C)=O)c3ccccc32)nn1)OCC 103279892 JEKZBLYEYKRMBK-KRWDZBQOSA-N 434.433 3.111 0 1 IGAF CC(=O)NCCOc1cc(-c2cnn(C)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144848080 PQHOKKQZFWFNMA-OAQYLSRUSA-N 431.414 3.381 0 1 IGAF Cc1cc(CN2CC[C@H](O)C2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O 169711380 YOWMJGFEHFMNAR-QFIPXVFZSA-N 432.520 3.185 0 1 IGAF COC[C@@H](O)CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1 204150040 IVVNCQGZOKJKEC-IBGZPJMESA-N 449.511 3.193 0 1 IGAF CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2cccc(Cl)c21 220257507 JMOGMMBUEQONLC-UHFFFAOYSA-N 429.929 3.313 0 1 IGAF O[C@H]1CC[C@H](n2ccc(Nc3ncc4c(nnn4-c4ccc(Cl)c(F)c4)n3)n2)CC1 261117889 JAXREJPFRREIOP-AULYBMBSSA-N 428.859 3.419 0 1 IGAF COc1cc(N2CCN(C(=O)CN3CCc4ccccc43)CC2)ccc1-c1cnc(C)o1 299867578 QIQHJEWSZBVAAW-UHFFFAOYSA-N 432.524 3.370 0 1 IGAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587111763 AZQQPRFZWGIIRE-KRWDZBQOSA-N 427.404 3.228 0 1 IGAF CCS(=O)(=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587113318 HDPGXUQSCHZTFZ-UHFFFAOYSA-N 436.419 3.077 0 1 IGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccc(I)cc2[nH]1 587231561 PFISZOQPVUUUSV-STQMWFEESA-N 427.286 3.204 0 1 IGAF COc1cc2c(cc1OC)[C@H](C(=O)NC[C@H]1CCCO1)[C@@H](c1ccccc1F)N(C)C2=O 618005385 DOZCPGNIRTZEAI-YKAGIRRDSA-N 442.487 3.049 0 1 IGAF C[C@@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 1772578739 LDKKRBUDFCLKNM-CXAGYDPISA-N 445.926 3.340 0 1 IGAF COc1cc(-c2[nH]ncc2CN2CCN(Cc3cccs3)CC2)cc(OC)c1OC 22912998 LDSQQVOLCJYRTN-UHFFFAOYSA-N 428.558 3.482 0 3 IGAF C[C@]1(C(=O)NS(=O)(=O)Cc2cccc(Cl)c2)CCN1C(=O)C/C=C/c1ccccc1 61896749 FPFPKURRTFWSGG-MECCDNJOSA-N 446.956 3.381 0 3 IGAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O 769302 VPAFVWRFGMKFST-QFUCXCTJSA-N 441.915 3.225 0 1 IGAF COc1cc(OC)nc(O[C@@H](C(=O)O)C(OC)(c2ccccc2F)c2ccccc2F)n1 13756043 GDDNQACXSFFUGL-IBGZPJMESA-N 446.406 3.194 0 1 IGAF NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(Br)c1 13835316 KEMJOCDMOVTTNO-UHFFFAOYSA-N 445.163 3.044 0 1 IGAF COc1ccc2c3c1O[C@@]1(C)[C@@]4(OC)C=C[C@@]5(c6c(O)ccc(O)c64)[C@H](C2)N(C)CC[C@]351 17214553 QMJLOWCMXXVLQW-FUWIRAOVSA-N 433.504 3.119 0 1 IGAF CN(CCC(=O)NC1CC1)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 59050237 LIIPJRGDIBVXJX-GOSISDBHSA-N 437.584 3.451 0 1 IGAF CCCN(C)C[C@@H]1Oc2ncc(-c3ccccc3F)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95714929 CVNRQWBSKQLJPT-HOIFWPIMSA-N 429.536 3.450 0 1 IGAF O=C(C[C@H]1CC[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 95797586 BUXNMIFPDSBWFP-TZRRMPRUSA-N 445.519 3.416 0 1 IGAF O=C(Nc1ccccc1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO 95869447 VXOIHSRQZAPVKT-PIPMEXSNSA-N 439.491 3.205 0 1 IGAF NC(=O)c1cccc2c(NCc3ccc(NS(=O)(=O)c4ccccc4)cc3)ncnc12 114346933 UWAHUYQMZBLVQI-UHFFFAOYSA-N 433.493 3.142 0 1 IGAF Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc31)CCNCC2 115011440 RTHGRJZORFROEE-UHFFFAOYSA-N 439.441 3.493 0 1 IGAF O=C(Nc1cccnc1Cl)Nc1ccc(Cl)c(S(=O)(=O)C2CCNCC2)c1O 115477474 AXDQQCQGTFACRR-UHFFFAOYSA-N 445.328 3.264 0 1 IGAF COc1ccc(Cc2nc(C)nn2-c2cc([C@H]3C[C@H]3c3nc(C)no3)nc(C)n2)cc1OC 143001675 RPQIDRXPWDJNTJ-DLBZAZTESA-N 447.499 3.245 0 1 IGAF CN(C)C(=S)SCC(CSC(=S)N(C)C)C(=O)c1cnc2ccccn12 207748712 GTQHBQVEZPTXMA-UHFFFAOYSA-N 426.658 3.293 0 1 IGAF O=c1c2c(Cl)ccn2nc([C@@H]2CCCN2c2ncnc3nc[nH]c23)n1-c1ccccc1 208097838 ILHMXWRSMGUCKC-HNNXBMFYSA-N 432.875 3.146 0 1 IGAF COc1c(F)cccc1-c1noc([C@H]2CCN2C(=O)c2ccc(C)cc2-n2nccn2)n1 218125747 HJDKRWJGSBWZFK-QGZVFWFLSA-N 434.431 3.361 0 1 IGAF CNC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1N[C@@H](c1ccccc1)[C@H](O)CO 219969952 SQGHWOMLSGMJQF-KNQAVFIVSA-N 449.536 3.301 0 1 IGAF Cc1cc(N2C(=O)c3nn(C4CNC4)c(C)c3[C@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 261114313 IMUJKGKBDBVTGZ-OAQYLSRUSA-N 447.930 3.399 0 1 IGAF Cc1ccc(C)c2[nH]c(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)nc12 586957512 CGKOWKFJJHUAHS-UHFFFAOYSA-N 438.509 3.121 0 1 IGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3c(O)nc(S)nc3[nH]2)C[C@@H]2CCCC[C@H]21 586959417 KMGWTHONUAERGA-YUTCNCBUSA-N 431.543 3.042 0 1 IGAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)NC(=O)CO3 587181440 QUBSMOUBLDDBHH-MRVPVSSYSA-N 437.241 3.333 0 1 IGAF Cc1nc(C(=O)O)c([C@@]2(c3ccc(F)cc3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)s1 963467947 HVQJSJLONCCYGE-NYHFZMIOSA-N 442.468 3.194 0 1 IGAF CNC(=O)c1cccc(Nc2ncnc(N3CC(COc4ccc(Cl)cc4F)C3)n2)c1 1772584835 ASTNFFBABVWSRG-UHFFFAOYSA-N 442.882 3.283 0 1 IGAF NS(=O)(=O)Oc1ccc2cc(-c3ccc(NC(=O)c4ccccc4)cc3)c(=O)oc2c1 1772615490 FYKPBOSFXVJPFN-UHFFFAOYSA-N 436.445 3.295 0 1 IGAF Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@H]4CCCN(C(=O)c5cccs5)C4)nc2-3)c1 104179567 KCHLWNYPFITJSZ-INIZCTEOSA-N 448.552 3.213 0 3 IGAF COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CC4)CC(=O)N32)c1 26771610 OJSCJLOPQMJADX-HYBUGGRVSA-N 431.492 3.032 0 1 IGAF biogenic O=C(Cc1cccc2ccccc12)N1CCC(CNCCCCNC[C@H]2CCCN2)CC1 28254439 ZEZBGTFQOONTEG-RUZDIDTESA-N 436.644 3.332 0 1 IGAF CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCC[C@H](O)C3)c2)CC1 29564723 QIJBSROVPILMNU-QHCPKHFHSA-N 437.584 3.393 0 1 IGAF O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccc4ccccc4c3)CO[C@H]12 40956805 ZKKWDQNOQFTGCW-KAOXLYBCSA-N 433.460 3.458 0 1 IGAF c1ccc(OC2COc3ccccc3CNCCNCCNCc3ccccc3OC2)cc1 49031949 NCUOKQNNOGJLFV-UHFFFAOYSA-N 447.579 3.374 0 1 IGAF CC(=O)NCCNC(=O)c1cnc(NCCc2ccc(Cl)cc2)nc1-c1ccccc1 82134114 SMMRHLQVNRDZAZ-UHFFFAOYSA-N 437.931 3.318 0 1 IGAF CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 82196779 RSHRCSVMMBGBKC-FSSWDIPSSA-N 442.556 3.035 0 1 IGAF CCCN(C)C[C@@H]1Oc2ncc(-c3ccccc3OC)cc2C(=O)N([C@@H](C)CO)C[C@H]1C 95667902 QVNCVFKAODAXPC-STSQHVNTSA-N 441.572 3.319 0 1 IGAF CCOP(=O)(OCC)[C@@H](O)CCn1cc(Cn2cc(C(C)=O)c3ccccc32)nn1 103279794 OKISERHTLXYBOF-HXUWFJFHSA-N 434.433 3.458 0 1 IGAF CCCCNc1ncc(-c2cccc(CN3CCOCC3)n2)c(N[C@H]2CC[C@H](O)CC2)n1 261192737 ZTFAJUAGQGVBCO-KESTWPANSA-N 440.592 3.298 0 1 IGAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc(F)cc(C(=O)O)c4[nH]3)cccc12 586942136 RUWTXIVUWLPIRC-UHFFFAOYSA-N 442.472 3.098 0 1 IGAF O=S(=O)(NCCc1nc2cnc(C(F)(F)F)[nH]c-2n1)c1c(Cl)cccc1Cl 586943376 UCNFENLLNPLXOK-UHFFFAOYSA-N 440.234 3.151 0 1 IGAF COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587423759 ZDAGRNXPRBNJPX-KXBFYZLASA-N 426.412 3.402 0 1 IGAF Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N(C)C)nc12 587592432 YRGKSCLXGCNUSM-GCJKJVERSA-N 443.459 3.477 0 1 IGAF O=C1CCc2cc([C@@]3(C(=O)O)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2N1 587596698 RASKANDDKIRAEG-GBXCKJPGSA-N 431.400 3.219 0 1 IGAF C[C@]1(Nc2cnc(C(F)(F)F)cn2)CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1 1772587277 HMHQKDBOHKCIIS-KXBFYZLASA-N 431.422 3.229 0 1 IGAF O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCOC[C@H](F)C2)c1 1857560698 NGONQSFOYHIIDY-GFCCVEGCSA-N 448.850 3.230 0 1 IGAF CNC(=O)c1ccc(N(Cc2ccc(NC(C)=O)cc2)C(=O)c2ccc(O)cc2O)cc1 1857598179 PWBAIVKEQQLDNT-UHFFFAOYSA-N 433.464 3.263 0 1 IGAF CCN1CCC(N(C(=O)NCCCn2cncc2C)c2ccc(OC)c(OC)c2)CC1 1857611104 XDNAJKKQUVYBCW-UHFFFAOYSA-N 429.565 3.299 0 1 IGAF CC1(C)CN(C(=O)NCc2ccccc2)C[C@H]2CN(C(=O)CCc3ccccc3)CCN21 2356712295 XLUIVKOYTVQZEQ-HSZRJFAPSA-N 434.584 3.136 0 1 IGAF CC=C(C)C(=O)OC(C)(C)[C@]1(CC2=CCNC(N)=C2)Cc2cc3ccc(=O)oc3cc2O1 2356836854 LEKZCYREQNPIJD-VWLOTQADSA-N 436.508 3.475 0 1 IGAF Cc1nc2nc(SCC(=O)N3CCOCC3)nn2c(C)c1Cc1c(F)cccc1Cl 4436617 IAQNDHNUGXBPNG-UHFFFAOYSA-N 449.939 3.075 0 3 IGAF COc1ccc(CCNC[C@@H](O)COc2ccc(-c3nc(Cl)c[nH]3)cc2)cc1OC 26018042 XEXJIIOIDAVATL-QGZVFWFLSA-N 431.920 3.319 0 1 IGAF CCN([C@@H]1CCc2c(CC(=O)O)c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1 66104027 NIZANMQTGOOGPX-MRXNPFEDSA-N 430.501 3.433 0 1 IGAF O=S(=O)(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cncc2ccccc12 73280994 ITCVJASVKBSFRP-UHFFFAOYSA-N 444.988 3.379 0 1 IGAF CCCNC(=O)N1CC2(C1)CN(Cc1ccccc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 95865262 AWLCRMOZLFXOPY-QFIPXVFZSA-N 448.567 3.399 0 1 IGAF O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(NC[C@H]2CCCO2)nc1C1CCCC1 101585271 IHUQFLXGIKCLLM-MXRMXEEPSA-N 440.588 3.395 0 1 IGAF COc1ccc(Br)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1F 116825656 ARDNPMFDNCMLTK-ZFWWWQNUSA-N 449.324 3.355 0 1 IGAF O=C(NCc1noc(-c2c3ccccc3nn2CCn2ccnc2)n1)c1cccc(F)c1F 117047327 SAZBYTAANJACKN-UHFFFAOYSA-N 449.421 3.191 0 1 IGAF COCCn1cc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)c2cccc(F)c21 117706193 QWCWDOUEDAUFTM-UHFFFAOYSA-N 437.515 3.452 0 1 IGAF C[S@](=O)c1ncc(C(=O)Nc2ccc(CCN3CCOCC3)cc2C2=CCCCC2)[nH]1 146917472 SLUWXEBGSAIUPC-WJOKGBTCSA-N 442.585 3.232 0 1 IGAF Cc1nc2cc([C@@H]3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)nn2c(C)c1C 147356749 OMEZQWUFWXMVAW-FQEVSTJZSA-N 441.557 3.393 0 1 IGAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc[nH]n2)c1 150279407 LAOIFHGXIHOJNM-CQSZACIVSA-N 433.390 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O=C(Nc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)cc1)N1Cc2ccncc2C1 166787818 JHAWTTVVQHCFFQ-VXKWHMMOSA-N 436.512 3.178 0 1 IGAF C/C=C(/C)C(=O)O[C@H]1C[C@](C)(OC(C)=O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 169670001 WXAJADWYCXGFFJ-ORSSKFBGSA-N 448.512 3.036 0 1 IGAF COC1CCC2(CC1)Cc1ccc(OCCOC(C)C)cc1[C@]21N=C(N)N(C(C)C)C1=O 169700492 QLWKSBXAUZOZAO-GJWKQQKWSA-N 443.588 3.383 0 1 IGAF Cc1c(Br)ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c12 586954326 AFONLELBAWETKC-UHFFFAOYSA-N 435.347 3.201 0 1 IGAF COc1ccc(Cc2nc3ccc4c(c3[nH]2)CCCC4)cc1S(=O)(=O)N1CCOCC1 586957363 ZYANJYQLWIDXMG-UHFFFAOYSA-N 441.553 3.062 0 1 IGAF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587141306 OREZEGTUWDOBFF-NSHDSACASA-N 447.323 3.229 0 1 IGAF CCOC(=O)C[C@@]1(C2CN(C(=O)OC(C)(C)C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439123 UBCDREAAGRKYAW-MWTRTKDXSA-N 431.485 3.002 0 1 IGAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1S(N)(=O)=O 587841606 RWOBUVMEWAIASX-VOJFVSQTSA-N 427.339 3.342 0 1 IGAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3ccccc3OCC3OCCO3)N12 962676076 XOBWXCIOGGTWQV-RDGATRHJSA-N 434.492 3.175 0 1 IGAF Nc1ncc(C2CCOCC2)nc1-c1ccc(C(=O)N[C@H](CO)C2CCCCC2)c(F)c1 1772614613 ZTQACPHRAIAVQU-OAQYLSRUSA-N 442.535 3.430 0 1 IGAF C[C@]1(Nc2cnc(C(F)(F)F)cn2)CCC[C@@H]1NC(=O)c1cc(F)ccc1-n1nccn1 1772622844 BHMJZOUJNPVVCW-KXBFYZLASA-N 449.412 3.368 0 1 IGAF C[C@]1(C(=O)N[C@H]2CCCC[C@@H]2O)CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 1857751295 RGAAIXISKHZQJK-RZPFDVGOSA-N 446.551 3.450 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C=C(C)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3[C@H](OC(=O)C(C)=CC)C[C@@](C)(O)[C@@H]12 2356408549 ISSPHXIMQLBZGZ-KNPKQFPZSA-N 446.540 3.267 0 1 IGAF CC(C)(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c2nnn(Cc3ccccc3)c2n1 8828580 PITQDHHHZHJSFE-UHFFFAOYSA-N 445.527 3.123 0 3 IGAF CCc1nc2ccc(C(=O)NCCN3CCCC3)cn2c1N(C)Cc1ccc(OC)cc1 61926209 ODQIDGNMJXOCEN-UHFFFAOYSA-N 435.572 3.367 0 3 IGAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@@H](O)[C@](C)(CCl)O4 13436936 NNJJOCIRDTYCJY-UGTOYMOASA-N 446.883 3.117 0 1 IGAF biogenic CCOC(=O)CN1C(=O)N(CCCc2c[nH]cn2)C(=O)[C@]1(C)c1cccc2ccccc12 28571981 QHMLQIYABICDHY-DEOSSOPVSA-N 434.496 3.238 0 1 IGAF Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(S(C)(=O)=O)CC4)cc3)n2)s1 36403407 ZINARMLOUXQARO-UHFFFAOYSA-N 444.586 3.042 0 1 IGAF Cc1ccc(NC(=O)C(C)(C(F)(F)F)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 40893436 KYLMGDPJMOYDEV-UHFFFAOYSA-N 448.385 3.085 0 1 IGAF COc1cc(N2CCOCC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C 66066278 WUWXJIFZTHONGM-UHFFFAOYSA-N 446.511 3.423 0 1 IGAF CC[C@@H](CO)n1cc(C(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3F)c(OC)nc21 66101102 BFSRHWMRTBHANZ-ZDUSSCGKSA-N 434.851 3.430 0 1 IGAF COc1ccccc1CN1C(=O)COC[C@@H]1[C@@H](O)c1ccc(NC(=O)c2ccccc2)cc1 71289643 BEHDDIXIXDIQTQ-RDGATRHJSA-N 446.503 3.409 0 1 IGAF biogenic C=CC(C)(C)[C@]1(C[C@@H]2NC(=O)[C@H]3CCCN3C2=O)C(=O)Nc2c1ccc1c2C=CC(C)(C)O1 86049641 KNFZHRYXLWKRSU-DFXHWTJYSA-N 449.551 3.152 0 1 IGAF biogenic O=C(C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@@H]1CCOC1 100636794 VWEZTKBPQTVPJZ-QHAWAJNXSA-N 427.589 3.331 0 1 IGAF N[C@H](C(=O)N1CCC(F)(F)C1)[C@H]1CC[C@H](NC(=O)c2ccccc2C(F)(F)F)CC1 100988856 VUEHRWGRIOHTDR-ZENOOKHLSA-N 433.421 3.189 0 1 IGAF O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccc(F)c2n1CCC1CC1 101077807 WBPYEXYNBVYRRB-UHFFFAOYSA-N 427.457 3.207 0 1 IGAF CC(C)COC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN([C@@H](C)c4ccc(Br)cc4)C(=O)[C@@H]13)O2 102095045 DDFQFNJRRUYFJF-YMXQSAFISA-N 434.330 3.491 0 1 IGAF C/C(=C\c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N(CCO)Cc1ccccc1 144312900 VCDUEKMYTXPHEH-BMRADRMJSA-N 447.491 3.207 0 1 IGAF CCNC(=O)Nc1nc2cc(-c3cnc(C4(O)COC4)nc3)cc(-c3ccccn3)c2s1 144723150 AALKVJXFHYKNNI-UHFFFAOYSA-N 448.508 3.175 0 1 IGAF O=C(Nc1ccc(O[C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)cc1)N1Cc2ccncc2C1 166968173 QQYYGTHXDOIZPH-FCHUYYIVSA-N 436.512 3.178 0 1 IGAF CN1CC[C@H](C(=O)N2CCC(c3ccc(NC(=O)N4Cc5ccncc5C4)cc3)CC2)C1 167147592 ASJRKGNYRIKKLY-NRFANRHFSA-N 433.556 3.287 0 1 IGAF Cc1ccc(Cn2c(Nc3ccc4oc(C)cc4c3)nc(=O)n(CCCC(=O)O)c2=O)cc1 200506287 MQVCATJXUIBEEK-UHFFFAOYSA-N 448.479 3.425 0 1 IGAF CCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)Cc1noc(-c2ccc(F)cc2)n1 210434509 SSVVKBOEKJMVND-HNNXBMFYSA-N 435.463 3.253 0 1 IGAF COc1cc(Nc2nc3n(n2)CCC(=O)N3Cc2ccccc2)ccc1-n1cnc(C)c1 299835820 XPLGLLQQEDYFGW-UHFFFAOYSA-N 429.484 3.461 0 1 IGAF O[C@](CSc1nnc(-c2ccncc2)[nH]1)(Cn1cncn1)c1ccc(Cl)cc1Cl 299872045 ZTUHQHQBEAMVGS-SFHVURJKSA-N 448.339 3.445 0 1 IGAF Cn1nccc1CS(=O)(=O)Cc1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586921500 JKNZGIBVYCDFIX-UHFFFAOYSA-N 437.241 3.193 0 1 IGAF COc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587354094 TZUUYYMLJSCGIX-QPPBQGQZSA-N 440.423 3.114 0 1 IGAF Nc1ncc(-c2cc([C@@H]3[C@H]4C[C@@H](N5CCOCC5)C[C@H]43)nc(C3CC3)n2)cc1OC(F)F 653775779 HEOCBNJLAWSCAR-BMWJPVITSA-N 443.498 3.424 0 1 IGAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(C)CC(=O)Nc1nccs1 963135734 FTBJALWMDMUJCB-ADLMAVQZSA-N 438.531 3.090 0 1 IGAF CCOC(=O)c1sc2ccc([C@@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)cc2c1N 963505633 CDFQFSCOCJWURE-LIRRHRJNSA-N 426.494 3.363 0 1 IGAF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)c2ccccc2C(=O)c2ccc(N)c(Cl)c21 963526065 NJMKTJNEMBJXDN-MHECFPHRSA-N 434.879 3.371 0 1 IGAF COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=N)[C@](C)(F)CC3(F)F)c2)cn1 1772583341 HFGDZWAAFQJTRL-QZTJIDSGSA-N 425.386 3.426 0 1 IGAF COC(=O)c1cc2c(nc1O)C[C@@]13CCN(CC4CC4)C[C@@]1(Cc1ccc(OC)cc13)C2 1772601327 QCMLBRSBSVTYBS-CLJLJLNGSA-N 434.536 3.277 0 1 IGAF CC(C)(CCO)S(=O)(=O)c1c(Cl)ccc(NC(=O)N[C@@H]2CCC=C2Cl)c1O 1772602116 FLUGYHKXTGKFAD-GFCCVEGCSA-N 437.345 3.387 0 1 IGAF CC(C)(C)c1[nH]cnc1/C=c1\nc(O)/c(=C/c2cccc(Cc3ccc(F)cc3)c2)nc1O 1911579348 UTPCPRXDOWLLRW-JZTLMNBPSA-N 444.510 3.296 0 1 IGAF CC1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNS(=O)(=O)c2ccc(Cl)cc2)CC1 2356564174 KPPISELBQBSOQE-NSHGMRRFSA-N 426.026 3.061 0 1 IGAF CC1(C)C=Cc2c(ccc3c2N=C2C(C)(C)C=CN4C(=O)C5=CCCN5C(=O)[C@H]4C[C@]23O)O1 2356650573 KBFQQKDBYAQJJS-WXTAPIANSA-N 445.519 3.415 0 1 IGAF O=C(NCc1ccccc1F)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 790457 SNSRNUZDNUVTMJ-KNQAVFIVSA-N 440.519 3.112 0 1 IGAF CN(C)C(=O)c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1 13474065 RPCHETUIUZUTRF-UHFFFAOYSA-N 436.424 3.056 0 1 IGAF CC(=O)NCc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F 13759853 SXLRVUYLYFNPIP-UHFFFAOYSA-N 443.317 3.288 0 1 IGAF CCOC(=O)/C=C/[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 29125770 IXTSBNUDPQCOMY-HJGVSCFUSA-N 434.533 3.088 0 1 IGAF Cc1ccc2c(O)c(C(=O)NCCCNC(=O)c3ccc4nc(C)ccc4c3O)ccc2n1 40876838 ZXOFUGNADSLZBM-UHFFFAOYSA-N 444.491 3.361 0 1 IGAF CN1C(=O)N(c2nccc(C(F)(F)F)n2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 95565459 WKPQKNKUQXTNMT-LBPRGKRZSA-N 448.232 3.359 0 1 IGAF C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)CC1CC1 95702408 NFGXEGSNUQWLDG-BSRJHKFKSA-N 448.629 3.364 0 1 IGAF O=C(c1cccc(F)c1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO 95875726 CCWJFBVUUQTVRE-DSITVLBTSA-N 446.526 3.348 0 1 IGAF CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)cc3C)c(=O)n2[C@H]1c1ccccc1 96928406 KYJJDAUGSGPDLY-PZHBDVNGSA-N 432.545 3.415 0 1 IGAF O=C(c1nc2ccccc2[nH]1)N1CC(c2nccnc2N2CCC(C(F)(F)F)CC2)C1 145081810 BKCFHUCXNCQWSN-UHFFFAOYSA-N 430.434 3.371 0 1 IGAF O[C@@H]1CCN(Cc2cccc(Br)c2)C[C@@H]1N1CCN(c2ccccc2)CC1 169354335 KTOAHCJQSOZXQM-FCHUYYIVSA-N 430.390 3.207 0 1 IGAF COC(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 169698284 BBZILCAVYQRPSS-UHFFFAOYSA-N 432.531 3.315 0 1 IGAF CCCCCCCC(=O)NNC(=O)c1c(O)c2cc(Br)ccc2n(C)c1=O 205283605 VXLGAKWIXFBCJQ-UHFFFAOYSA-N 438.322 3.128 0 1 IGAF CCCS(=O)(=O)N[C@@H]1CC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 205483461 SRPWJWSJOXIUHJ-UQVXDKKUSA-N 448.629 3.331 0 1 IGAF CCCc1c(O)ccc2c1O[C@](c1cccs1)([C@@H](C)N1CCN(CCO)CC1)CC2=O 587495496 RKDVIFGIUWCAPY-OSPHWJPCSA-N 444.597 3.265 0 1 IGAF C[C@H](N1CCN(CCO)CC1)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587533527 WSPVJQSDMUHMRL-AVRWGWEMSA-N 440.609 3.486 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 587760459 KCCDQHIMYMOYEA-KPGGICDASA-N 443.313 3.412 0 1 IGAF Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc2cc(C(=O)O)nn12 587798319 URCGBCUGDWOELV-ZRNGKTOUSA-N 433.281 3.435 0 1 IGAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@]2(CCOc3ncc(Br)cc32)N1 962964925 KAEXWNXJFHTGNJ-SJKOYZFVSA-N 445.647 3.401 0 1 IGAF CN(Cc1ccc2c[nH]nc2c1)C(=O)CCc1cccc(-c2nc3c(N)ncnc3[nH]2)c1 1911570760 NXXVJKXSPBXVLO-UHFFFAOYSA-N 426.484 3.070 0 1 IGAF CC(=O)N[C@H](C(=O)NCc1ccc(NC(=N)N)cc1)c1ccc(OCc2ccccc2)cc1 1911570853 RQESEPAZDOYBJN-QHCPKHFHSA-N 445.523 3.065 0 1 IGAF COC(=O)c1ccc2nc(CO[C@H]3CN(C(=O)c4ccc(Cl)cc4)C[C@@H]3F)[nH]c2c1 2356299353 HBEABLGZAWDTPC-YJBOKZPZSA-N 431.851 3.382 0 1 IGAF Cc1c(NC(=O)COC(=O)CCc2c[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1C 8650202 LXCAGXJJHXXYDN-UHFFFAOYSA-N 432.480 3.080 0 3 IGAF Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2nnnn2-c2ccc3c(c2)OCCO3)cc1 95567183 NFZDSULWUQFWND-QHCPKHFHSA-N 439.475 3.487 0 3 IGAF CCCN(CCCNS(=O)(=O)c1ccc(C)cc1)[C@@H]1COc2cccc(OC)c2C1 13737103 AQJAKCNEOWYUTG-IBGZPJMESA-N 432.586 3.388 0 1 IGAF O=C1N(CCO)CN(c2ccccc2)C12CCN([C@@H]1CCc3cccc(Cl)c3C1)CC2 13806872 WYIKDGQRKDCMOA-OAQYLSRUSA-N 439.987 3.331 0 1 IGAF O=CN[C@@]12Cc3c([nH]c4ccccc34)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5 28019382 OAJBJXKXMDIMEQ-NVSKSXHLSA-N 441.531 3.326 0 1 IGAF CC(C)(CNC(=O)c1ccc(Cl)s1)NC(=O)c1ccc(-n2ccccc2=O)cc1 28822822 ICYXTILCNJUGQZ-UHFFFAOYSA-N 429.929 3.491 0 1 IGAF CN(C)CCOc1cc(-c2cn[nH]c2)c(F)cc1NC(=O)[C@H]1Cc2ccccc2CN1C 58575243 DQDGPBWHPGDZRS-JOCHJYFZSA-N 437.519 3.151 0 1 IGAF COc1ccccc1N1CCN(C[C@@H](O)CCNC(=O)c2cc3ccccc3s2)CC1 66151568 OUNYCNQDFAUREF-IBGZPJMESA-N 439.581 3.213 0 1 IGAF CCCS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F 72181119 VYNISSRXDZYNKV-UHFFFAOYSA-N 441.872 3.163 0 1 IGAF N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1cccc(F)c1 88260981 BVNAPVIOPJPIJW-PKTZIBPZSA-N 432.561 3.134 0 1 IGAF O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCCC1 95580629 WOBPMJGMMUTQIX-ARKNBDGESA-N 440.588 3.030 0 1 IGAF O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)nc12)N1CC[C@@H](O)C1 118388657 LIVISHFAOAESEN-RDTXWAMCSA-N 444.898 3.462 0 1 IGAF CNC(=O)c1c(-c2ccc(F)cc2)nc2cc3c(cn12)[C@@H](C)CCCN3S(C)(=O)=O 143370219 HZPOHZCOERSJLW-ZDUSSCGKSA-N 430.505 3.163 0 1 IGAF c1ccc([C@H](CN2CCC(N3CCCCC3)CC2)N2CCN(C[C@@H]3CCCO3)CC2)cc1 198333668 VLQWBBAISJOUST-SVBPBHIXSA-N 440.676 3.475 0 1 IGAF Cc1onc2c1C[C@]1(CC2)Cc2ccc(-c3cncc(Cl)c3)cc2[C@]12N=C(N)N(C)C2=O 201232463 RLRBLMNRTNMYGV-BJKOFHAPSA-N 447.926 3.412 0 1 IGAF COc1cc(C[C@@H](COC(C)=O)[C@H](CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC 238785482 LFUFKUFEHAHTRG-OALUTQOASA-N 446.496 3.014 0 1 IGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1 586931222 YTOPRZFGFMJDJZ-UHFFFAOYSA-N 428.558 3.093 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C)c(F)cc3[nH]2)C(C)C)cc1 586932682 IQIKFKXGBBDHSC-HXUWFJFHSA-N 432.521 3.322 0 1 IGAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586939207 RUEDESDVTNSXDA-INIZCTEOSA-N 443.934 3.139 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@@H](C)N1CCN(CCO)CC1)CC2=O 587495494 RKDVIFGIUWCAPY-MZNJEOGPSA-N 444.597 3.265 0 1 IGAF CS(=O)(=O)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587571763 PSYGQVVIHHSGIX-KNQAVFIVSA-N 428.437 3.433 0 1 IGAF COCCN1C=C(C(=O)O)[C@@]2(C=C1C)N[C@H](C)Cc1cc(Br)c(F)cc12 587758903 JQAOUOZYDONCND-WYRIXSBYSA-N 425.298 3.152 0 1 IGAF Cn1c(SCCCN2C[C@@H]3[C@H](CCN3c3ccccc3F)C2)nnc1-c1cnccn1 653728042 JRIJSUZYSFOPFI-OXQOHEQNSA-N 439.564 3.104 0 1 IGAF CC(C)(C)OC(=O)N1CCC(n2cc([C@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)cn2)CC1 962904054 ANVUSXUVQGNTLA-AZUAARDMSA-N 444.507 3.283 0 1 IGAF COc1cccc2cc3c(nc12)[C@@H](c1cc2c(cc1OCc1nc(C)no1)OCO2)NCC3 963069262 RBPGFVCQCRFRKW-XMMPIXPASA-N 446.463 3.478 0 1 IGAF C[C@@]1(Nc2ncc(C(F)(F)F)cn2)CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1 1772609708 BWQJSRQDEPJXKN-QFBILLFUSA-N 431.422 3.229 0 1 IGAF Nc1nccc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)n1 1772615755 WJCFQHWPWMBXMD-UHFFFAOYSA-N 425.395 3.487 0 1 IGAF CNC(=O)c1cccc(OCCCCN2CCN(c3nsc4cc(F)ccc34)CC2)n1 1857759371 BOUQXDHEZQGZAA-UHFFFAOYSA-N 443.548 3.171 0 1 IGAF CCCCS(=O)(=O)Nc1cc(C(C)C)c2sc(NC(=O)NC)c(C(N)=O)c2c1 1857764039 HYWPXLUZMDUDLZ-UHFFFAOYSA-N 426.564 3.417 0 1 IGAF CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccc(F)cc1 8672790 YXPQVXIGAQQXOH-IFXJQAMLSA-N 429.517 3.489 0 3 IGAF c1ccc(COc2ncnc3c2ncn3CCCN2CCN(c3ccccn3)CC2)cc1 61935978 HZIANPGDCXSQNV-UHFFFAOYSA-N 429.528 3.013 0 3 IGAF CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)NC3CCCC3)c2=O)cc1 2466826 IJOPYHSIPMJBSY-UHFFFAOYSA-N 441.553 3.288 0 1 IGAF O=C(O)C(=O)c1ccc(OCc2cccc(COc3ccc(C(=O)C(=O)O)cc3)c2)cc1 13490978 IGKPEWFTXRJBNB-UHFFFAOYSA-N 434.400 3.379 0 1 IGAF CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)Cc3ccccc32)CC1 27988150 KMZHNHUUGMCSMN-UHFFFAOYSA-N 435.568 3.500 0 1 IGAF CC1(C)O[C@@H]2[C@@H](O1)[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)O[C@@H]2[C@H]1COC(C)(C)O1 31872515 BHLPICAGQSYCKG-GAGVYUBLSA-N 432.391 3.259 0 1 IGAF O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3cccc4ccccc34)CO[C@H]12 45505834 FNQRGNSSQPUDON-KAOXLYBCSA-N 433.460 3.458 0 1 IGAF Cn1nccc1CNC(=O)c1ccc2c(CO)c(-c3cc(Cc4ccccc4)[nH]n3)[nH]c2c1 49808075 HITNCCVTPYBLBH-UHFFFAOYSA-N 440.507 3.305 0 1 IGAF CCc1nc(C(=O)N2CCC[C@@H](C(=O)NC3CCN(Cc4ccccc4)CC3)C2)cs1 82069513 HBRGGEOOKPNPNX-LJQANCHMSA-N 440.613 3.339 0 1 IGAF Cc1ccc(S(=O)(=O)NC(=O)N2[C@H]3CC[C@@H]2C[C@H](OC(=O)Cc2ccccc2)C3)cc1 100893369 CDEDFQWPEOWSMZ-PMOLBWCYSA-N 442.537 3.175 0 1 IGAF COC(=O)[C@H]1[C@@H](OC(C)=O)CC[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@@H]21 137436292 UEFILKPKYUBUOT-DUFDLUDNSA-N 426.513 3.227 0 1 IGAF O=C(COC(=O)c1ccc(-n2c(O)c3c(c2O)CC=CC3)cc1)c1ccc2c(c1)OCCO2 169718847 DWTDBXAPFWROQK-UHFFFAOYSA-N 447.443 3.354 0 1 IGAF COCCCn1nc(C)c2c(Cl)cc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21 203692596 FUZDMPHNVOBBHN-MGPUTAFESA-N 434.968 3.075 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCN(C)CC3)s2)N1 587852183 DUOIQDCLEAZIEI-PIGZYNQJSA-N 425.371 3.420 0 1 IGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](c2ccc(Br)cc2)(c2cncnc2)N1 962904932 ODRKDVPRCWXTLC-ICSRJNTNSA-N 428.261 3.269 0 1 IGAF O=C(N[C@@H]1CCc2cccnc21)c1csc(C2CN(CCc3nc4ccccc4[nH]3)C2)n1 1857619072 SHDYOCQPJBDXTH-LJQANCHMSA-N 444.564 3.474 0 1 IGAF CCCCN=c1[nH]c2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NCCOC)[C@H](O)[C@@H]1[C@H]2C 2356317946 DQMVEGCICZOUCI-ILUFXSCGSA-N 437.650 3.229 0 1 IGAF COCCN1C(=O)[C@H]2C[C@@H](CN2C(=O)c2ccc(C(F)(F)F)cc2)Oc2ccccc21 2356688437 AEWFRDDARYXXHD-FUHWJXTLSA-N 434.414 3.361 0 1 IGAF COc1ccccc1NC(=O)NC[C@@H]1O[C@@H](Cc2cc(-c3ccccn3)on2)CC[C@@H]1O 2356727249 KXGQYUBUZYWYHV-WVBUVRCRSA-N 438.484 3.018 0 1 IGAF CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]1CCCO 13656805 KXPOPZSKEYIOTO-WFXMLNOXSA-N 443.462 3.313 0 3 IGAF COC(=O)CCc1cc(OC)c2c(c1)[C@H](C(=O)OC)[C@@H](c1ccc(OC)c(OC)c1)O2 1645369 VYPDDYLRLTWJLX-LEWJYISDSA-N 430.453 3.208 0 1 IGAF O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1Cc1cccs1 4239187 XLBYGHZFWSUZEI-UHFFFAOYSA-N 438.944 3.026 0 1 IGAF COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]([C@@H](C)N2CCCC2)C1 13863719 ONEIDYFRAIKBGR-RDTXWAMCSA-N 428.360 3.299 0 1 IGAF Cn1cccc1C(=O)N[C@@H]1CCN2C(=O)c3cc(-c4ccc(Cl)cc4)ccc3NC(=O)[C@H]12 25176328 POZDUISMBVYTNO-CTNGQTDRSA-N 448.910 3.311 0 1 IGAF biogenic CCN1C(=O)c2c(nc(OC)n2Cc2ccc(OC)c(Cl)c2)N2C1=N[C@@H]1CCC[C@@H]12 28758562 QLOIWJUEFNGWMC-CABCVRRESA-N 429.908 3.175 0 1 IGAF CCOC(=O)Cc1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc(OC)c(OC)cc1-2 34395337 YSTPWGIDLJSOLD-UHFFFAOYSA-N 438.500 3.490 0 1 IGAF CN1C(=O)[C@H](OCc2ccc(C(=N)N)cc2)Oc2cc(C(=O)Nc3ccccc3)ccc21 40867002 DKLZMGFTGWKNCD-XMMPIXPASA-N 430.464 3.121 0 1 IGAF CC1=C(C(=O)N2CCC[C@H]2c2nnn[nH]2)[C@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45385318 YUPMSPVJMXWUAW-YOEHRIQHSA-N 445.314 3.356 0 1 IGAF CC(C)NC[C@@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1)c1ccc(Cl)cc1 66258869 CAICXYBBTBZAKS-QFBILLFUSA-N 443.979 3.152 0 1 IGAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)NC4CCCC4)CC(=O)N3[C@H]2CO)cc1 95795196 BZOMOBOIMROXPJ-CUYJMHBOSA-N 433.552 3.285 0 1 IGAF O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO 95905293 OMZADXYEQUCDQV-UFYCRDLUSA-N 437.968 3.457 0 1 IGAF COCCn1c(=O)nc(-c2ccc(NC(=O)CN3CCCC3)cc2)c2oc3ccccc3c21 103135400 OJUGUNXGPQGTIZ-UHFFFAOYSA-N 446.507 3.490 0 1 IGAF Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(N(C)C(=O)C3(C)COC3)c2)nc1 143378885 ZGNHUOZBXRQIDE-UHFFFAOYSA-N 445.523 3.085 0 1 IGAF Cc1ccccc1-n1c(Cn2nc(CC#N)c3c(N)ncnc32)cc2cccc(C)c2c1=O 146080454 ANILQKJMIFEDSP-UHFFFAOYSA-N 435.491 3.444 0 1 IGAF Cc1nc2cnc(Nc3ccnc(-c4cnn(S(=O)(=O)C5CC5)c4)n3)cc2n1C(C)C 222725730 NOWVRPHFPYFSDG-UHFFFAOYSA-N 438.517 3.058 0 1 IGAF in-vitro NS(=O)(=O)c1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586984684 OOTOLDYHLVCTFC-KRWDZBQOSA-N 435.347 3.158 0 1 IGAF CC1=C(c2ccc3nc(Cn4nc(C(F)(F)F)c5c4CCCC5)[nH]c3c2)NNC(=O)C1 587120087 QGYDZRQQPIQXCF-UHFFFAOYSA-N 430.434 3.461 0 1 IGAF COc1cc2c3c(c1)O[C@@]1(C(C(=O)O)=COc4ccc(Br)cc41)[C@@H](C2)C3=O 587419032 RIIWFUKDNSFSDO-RNODOKPDSA-N 429.222 3.462 0 1 IGAF CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587440374 YWLHHGZXHOMKFU-OJLQRUNKSA-N 445.512 3.392 0 1 IGAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)c(N3CCNCC3)c2c1 587650041 UZBZFTKOTOOYPC-UHFFFAOYSA-N 434.359 3.411 0 1 IGAF CCOc1ccc(-c2nn(C(=O)c3c(N)cnn3CC)c(=O)c3ccccc23)cc1OCC 587670406 SZHOXFIAZNBMCG-UHFFFAOYSA-N 447.495 3.348 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587704349 JBBPWFVLZKDFOO-ANRSDYALSA-N 426.204 3.402 0 1 IGAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)N(CC)C(=O)c1cc(OC)cc(OC)c12 962944215 HHZHZNDJWZVAME-DLUDVSRJSA-N 433.508 3.355 0 1 IGAF C[C@H](Oc1c(Cl)cccc1Cl)[C@@]1(C)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963204464 LVWRDEWLLXOUHG-QDGGFTDLSA-N 449.338 3.157 0 1 IGAF O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN(c2cc(C(F)(F)F)nc3ncnn23)C1 1772573980 VDKMKWRUHDKDKT-HNNXBMFYSA-N 430.434 3.487 0 1 IGAF NC(=O)c1c(NC(=O)c2ccc(CN3CCCCC3)cc2)sc2c1CC[C@@H](CO)C2 1772601781 XNXQXKGYYKFAPX-MRXNPFEDSA-N 427.570 3.182 0 1 IGAF COCCn1cc(-c2c(-c3ccc(Cl)cc3)nc3c(N4CCOCC4)nccn23)cn1 1857541738 TXZWJUACJCVHQE-UHFFFAOYSA-N 438.919 3.396 0 1 IGAF C[C@H]1O[C@]2(OCc3ccc(Cc4ccc(-c5ccc(F)cc5)s4)cc32)[C@H](O)[C@@H](O)[C@@H]1O 1857570062 GWLLEPSZLLMRJG-LTYVRRJOSA-N 442.508 3.329 0 1 IGAF CC(=O)c1ccc(NC(=O)NC[C@@H]2C[C@H]3CCN2C[C@H]3CN(C)CCc2ccccn2)cc1 2356307114 XYLBMNUXXDKYLO-RQTOMXEWSA-N 449.599 3.291 0 1 IGAF O=Cc1ccc([C@H](C2CCCCC2)[C@@H]2C[C@H]([C@@H]3CC[C@H]4[C@H](CC[C@H]4O)N3)[C@]3(O)C[N@@]23)cc1 2356453431 YHOOJSBJHQYHSM-PRULBDGYSA-N 438.612 3.447 0 1 IGAF CCN[C@@H]1CC[C@H](CCCC2CCC([C@@H]3CC[C@H](O)[C@@H](C)N3)CC2)C[C@]1(O)CC(=O)O 2356572168 QSIJHUJKRIYOEF-QTJDGARVSA-N 438.653 3.449 0 1 IGAF Cc1cccc(C)c1N1C(=O)c2ccccc2NC(=O)[C@H]1C(=O)NCCOc1ccccc1 95601620 SFEHUOZSWHWJLM-HSZRJFAPSA-N 443.503 3.466 0 3 IGAF O=C(NCc1ccc(F)cc1)c1[nH]c([C@@H](c2ccccc2)N2CCCCC2)nc(=O)c1O 28642857 CQSSVTXTBYQQIA-HXUWFJFHSA-N 436.487 3.120 0 1 IGAF C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@@H](C)NC1CCCCC1)C(C)(C)C)C(=O)O 49116060 JZYDUWOBEJAQEF-QQYMCGONSA-N 437.625 3.342 0 1 IGAF COc1cc2nc(N3CCC[C@@H](C(N)=O)C3)nc(NCc3cccs3)c2cc1OC 82119700 JYFVUUMEPTUTIH-CYBMUJFWSA-N 427.530 3.022 0 1 IGAF NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCC3CCCCC3)c(-c3ccc(F)cc3)n2)C1 82139328 IYUAHWPHDPXBRJ-GOSISDBHSA-N 439.535 3.295 0 1 IGAF Cc1ccc(C(=O)NC2CCCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O 84651927 OIGAZBWYYOZDQO-UHFFFAOYSA-N 445.567 3.118 0 1 IGAF CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]1C 95679649 YXTUUNAVVDQDQI-HYFFOGBASA-N 431.577 3.251 0 1 IGAF Cc1noc(-c2ccccc2C(=O)N2C[C@@H]3CN(c4nc(C)c(Cl)c(C)n4)C[C@@H]3C2)n1 116822258 ZRIOTSIYIHKQDH-IYBDPMFKSA-N 438.919 3.314 0 1 IGAF COc1ccc([C@H]2CN=C3C(=O)c4ccn(S(=O)(=O)c5ccc(C)cc5)c4C(=O)[C@H]32)cc1 169729566 BXBHAIYRHGALLG-UXHICEINSA-N 448.500 3.276 0 1 IGAF O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](COc1cnc3ccccc3n1)C2 226070582 DGNJAILYUPQIAM-QYWGDWMGSA-N 444.470 3.422 0 1 IGAF O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCN(c2noc3ccccc23)CC1 299830578 XICVVRXQROBICS-UHFFFAOYSA-N 427.404 3.237 0 1 IGAF C[C@@H]1CCN(c2nc(Cl)ncc2Cl)CCN1C(=O)c1ccccc1-n1nccn1 473111414 AZEODJNKUCFQHD-CYBMUJFWSA-N 432.315 3.105 0 1 IGAF COc1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2n1 586976792 BWYAZUNOJRUYLI-JTQLQIEISA-N 442.111 3.440 0 1 IGAF CC1=C(c2ccc3nc(C[C@](O)(c4nc(C)cs4)C(F)(F)F)[nH]c3c2)NNC(=O)C1 587094975 XHUMQXLKWNBQJZ-SFHVURJKSA-N 437.447 3.076 0 1 IGAF CC(=O)Oc1ccc2c(c1)OC1=C[C@]3(C=CC1=N2)N[C@H](C(=O)O)Cc1cc(C)c(O)cc13 963510302 PKXJMLYWCVRFJJ-CYFREDJKSA-N 432.432 3.039 0 1 IGAF COc1cccc(-n2cc(-c3ccccc3S(=O)(=O)c3ccc(N)cc3)nn2)c1OC 1857611125 CNPSRCRINBHVEL-UHFFFAOYSA-N 436.493 3.367 0 1 IGAF Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)cc1Cl 8598263 QNUDZUQLFKRRLI-OAHLLOKOSA-N 436.946 3.445 0 1 IGAF C[C@@H](O)CCCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358416 BDLDSSMAHRDDGB-VGSWGCGISA-N 427.497 3.428 0 1 IGAF COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3c(NC(=O)c3ccccc3)ccc2=O)cc1 25435839 GKCRPWIBBJGBCH-XLIONFOSSA-N 443.503 3.369 0 1 IGAF biogenic CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CF 26272128 GWMSBYDPLYYEJV-SFTDATJTSA-N 444.503 3.299 0 1 IGAF O=c1nc2oc(-c3cccc(OCCCCCCF)c3)cc2cn1[C@H]1C[C@H](O)[C@@H](CO)O1 28865029 FUHHNTVPPWJMED-CEWLAPEOSA-N 446.475 3.206 0 1 IGAF Cc1c(N2CC[C@@H]([C@@H](N)C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 29565234 OLTAEWBIFKSPJW-PIGZYNQJSA-N 427.398 3.039 0 1 IGAF CSc1sc(C(=N)N)cc1S(=O)(=O)c1cc(Br)c2[nH]cnc2c1 36330285 DPIHQSPDLAUFSG-UHFFFAOYSA-N 431.362 3.226 0 1 IGAF CCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C(F)(F)F)cc1 36488290 WGINRGMRUOSXBR-UHFFFAOYSA-N 446.429 3.450 0 1 IGAF Cc1cnc(N2CCN(CCCN3CCCC3)CC2)nc1Oc1ccc(-n2ccnc2)cc1 45228483 NOAUJJVWAMCSOS-UHFFFAOYSA-N 447.587 3.371 0 1 IGAF Nc1ncc(-c2ccc(C(=O)NC3CCNCC3)cc2)nc1Oc1ccc2cc[nH]c2c1 45244967 ZOKAHENGMGWPOX-UHFFFAOYSA-N 428.496 3.481 0 1 IGAF CCN1CCCC12CCN(C(=O)c1cc(Cc3n[nH]c(=O)c(C)c3C)ccc1F)CC2 45354854 AQCWHKJBXKYCNT-UHFFFAOYSA-N 426.536 3.207 0 1 IGAF CS(=O)(=O)N1CCC(Oc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1 84602598 BFKPZXXQVYWHKU-UHFFFAOYSA-N 434.602 3.202 0 1 IGAF COc1cccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3C(=O)c2ccccc2)c1 95893366 HWMBJNWQXXHKTF-RBZQAINGSA-N 428.488 3.325 0 1 IGAF O=C(c1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1)N1CCC(N2CCCC2)CC1 96284360 NZTCAQVBEQXBEV-UHFFFAOYSA-N 438.616 3.087 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@H](NC(=O)/C=C/c4ccccc4)C=C[C@H]4[C@@H](C2)N(C)CC[C@@]341 96932838 IVPOHUDCDNUQNG-VXOIOZJFSA-N 428.532 3.338 0 1 IGAF COc1ccc(Cc2nc(C)nn2-c2cc([C@H]3C[C@H]3c3nnc(C)o3)nc(C)n2)cc1OC 141648002 WOWREEMJTBULMO-DLBZAZTESA-N 447.499 3.245 0 1 IGAF O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)c1cccs1 195419188 AZVWOTWGCYDHKK-YJZQOORCSA-N 440.908 3.449 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-c3cccnn3)c2)c1 205653353 QZXHCJASGVSEHH-OAQYLSRUSA-N 440.507 3.116 0 1 IGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12C(=O)Nc1cc(N3CCOCC3)ccc12 587591440 FJTGAFWLNZWCKI-BWKNWUBXSA-N 444.443 3.038 0 1 IGAF O=C(c1nc(-c2cn(-c3cccc(F)c3)nn2)no1)n1nc2cc1Oc1ccc(F)cc1-2 587873464 FWJICNFGHUKGOH-UHFFFAOYSA-N 433.334 3.253 0 1 IGAF COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cc(Cl)cc(Br)c2)c1OC 587942055 YWTPKBLEZFQVBB-UHFFFAOYSA-N 446.681 3.340 0 1 IGAF COC(=O)[C@@]12C(=O)[C@H](C)C(=O)[C@@]1(C)C(C)=C[C@@H]1[C@@]3(CO)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 2356317602 FPTYSBCRIPGIMB-KZNOAZNASA-N 446.584 3.092 0 1 IGAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@]3(C)C[C@@H]12 2356542781 FDIBLSADLHBGHK-QHUZDWGKSA-N 426.513 3.370 0 1 IGAF CCCCC[C@@H](O)C[C@H](CCc1cc(OC2CCNCC2)c(O)cc1CO)OC(C)=O 2356627979 CLMAWDAECLOYPS-IRLDBZIGSA-N 437.577 3.211 0 1 IGAF CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCC(C)(C)CO 769743 RKLFOPXHYWNILM-JTHBVZDNSA-N 439.556 3.378 0 1 IGAF COC(=O)n1[nH]c(=O)c(-c2cc(OC)c(OC)c(OC)c2)c1-c1ccc(OC)c(OC)c1 49112462 WMJYVVWLBLWAFQ-UHFFFAOYSA-N 444.440 3.168 0 1 IGAF O=C(Cc1csc(-c2ccc(OCCN3CCOCC3)cc2)n1)NCc1ccccc1 72117007 WOOXRNLCCADTBR-UHFFFAOYSA-N 437.565 3.380 0 1 IGAF COc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 96270982 GQAUQWFJPZSLGA-JTQLQIEISA-N 449.426 3.040 0 1 IGAF Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccc(C)cc32)[C@H]2CCCN21 169332328 AJLWQLFSQWOCDO-MNHALERFSA-N 428.536 3.241 0 1 IGAF CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 169710814 RUNYYNOTDPSEDX-AOOOYVTPSA-N 434.431 3.412 0 1 IGAF O=C(CCCc1cn[nH]n1)NC1CCN(C(=O)OCc2ccc(Cl)cc2Cl)CC1 209495691 WBNYJNDTOYLUET-UHFFFAOYSA-N 440.331 3.352 0 1 IGAF Cc1ccc(F)c(-c2[nH]c(CNc3cccc(C(N)=O)c3)nc2-c2ccc3ncnn3c2)n1 473155314 RPJBEJCOQGUCJS-UHFFFAOYSA-N 442.458 3.340 0 1 IGAF O=C1COc2cc3nc(-c4cc5cc(Br)c(O)cc5oc4=O)[nH]c3cc2N1 587000096 MARQAEYPNNFIOH-UHFFFAOYSA-N 428.198 3.135 0 1 IGAF Cc1nc2[nH]c(Cc3nnc(NC(=O)OC(C)(C)C)s3)nc2cc1Br 587023498 DQXHKDILGNGMRQ-UHFFFAOYSA-N 425.312 3.818 0 1 IGAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)c2C1 587035372 VTSSWJLLUPCRRD-UHFFFAOYSA-N 434.543 3.232 0 1 IGAF N[C@@H](Cc1ccc(I)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587183718 HOEYRHSMEFSBRE-VIFPVBQESA-N 433.175 3.170 0 1 IGAF COC(=O)[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc2O1 587416791 FNYTXLUYYARUGR-DAESXHAQSA-N 445.265 3.425 0 1 IGAF CC(C)(CO)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5c4CNC5)ccc32)no1 1772623819 ZGAABDMRSZLIAU-UHFFFAOYSA-N 434.456 3.165 0 1 IGAF BO[C@@H](CCCCNC(=O)n1ccnc1)NC(=O)OCC1c2ccccc2-c2ccccc21 2356487504 DDOAQMJVFQNNQB-QFIPXVFZSA-N 446.316 3.041 0 1 IGAF Cc1ccccc1C(=O)N(C)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@H]1[C@H](C)O 61924217 DQPXCBDWRAAMCQ-KKPKCPPISA-N 431.536 3.444 0 3 IGAF COc1ccc([C@H]2OC(=O)C[C@@H]2C(=O)N2CCN(c3ccccc3Cl)CC2)cc1OC 201462428 PHVXCJDKJURBJB-KSFYIVLOSA-N 444.915 3.310 0 3 IGAF CC1(C)C[C@H](N(C[C@@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(N)=O)ccc2O1 758509 MLTJPOSRIJIDRJ-FPOVZHCZSA-N 438.524 3.474 0 1 IGAF COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CC2 13863044 AVJFJYZQNQJPAE-PGRDOPGGSA-N 436.552 3.373 0 1 IGAF C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C 28108064 IYDBQCZYZKQGCD-YWZLYKJASA-N 446.494 3.081 0 1 IGAF CN(C(=O)[C@H](N)CCCN)[C@H](CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 73224690 PHQBPGSGLRRVOQ-DNQXCXABSA-N 432.568 3.304 0 1 IGAF O=C(Nc1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 95894124 BTZMUYUPBGXRAY-FDFHNCONSA-N 432.455 3.242 0 1 IGAF CC(C)(CCCOCn1ccc(=O)[nH]c1=O)CS(=O)(=O)c1ccc(Cl)c(Cl)c1 96172774 DWIZSIXXJSJIPX-UHFFFAOYSA-N 449.356 3.098 0 1 IGAF CC(C)(C)ONC(=O)C(=O)Nc1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 103236747 GGDLHBYZONMZCB-UHFFFAOYSA-N 442.560 3.239 0 1 IGAF O=C(Nc1cccnc1Cl)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1O 115475013 PKYWPWXABSTTKQ-JTQLQIEISA-N 445.328 3.264 0 1 IGAF CO[C@@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@H]2O5 139261714 OIJXLIIMXHRJJH-BIFMAUSXSA-N 425.569 3.388 0 1 IGAF C[C@H]1CN(CCNC(=O)c2ccc(NC(=O)N3Cc4ccc(F)cc4C3)cc2)C[C@@H](C)O1 166876727 GMGKUQWUZNKZRH-CALCHBBNSA-N 440.519 3.212 0 1 IGAF O=C(Nc1ccccc1)Nc1ccc(-c2cnc(C(=O)N3CCC[C@H]3C(=O)O)nc2)cc1 204959830 UBKUTXIILILPFK-IBGZPJMESA-N 431.452 3.477 0 1 IGAF O=c1c2cn[nH]c2c2ccc(-c3cccc(N4CCOCC4)n3)cc2n1CC(F)(F)F 220098429 ISSPVKARXSMUCN-UHFFFAOYSA-N 429.402 3.339 0 1 IGAF CN1C(=O)[C@]2(N=C1N)c1cc(OCC(F)(F)F)ccc1CC21CCC(OC(F)F)CC1 220116172 QGYMBAZJQBMENA-JAYJBXMUSA-N 447.404 3.334 0 1 IGAF O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](Nc1ncc(C(F)(F)F)cn1)C2 221061421 OKDCFYLYBFCPIX-MAZHCROVSA-N 447.396 3.073 0 1 IGAF COC[C@@H](NC(C)=O)C(=O)NCc1ccc(Oc2cccc(OC(F)(F)F)c2)cc1 473108799 ONVRHNBKAGPMCS-GOSISDBHSA-N 426.391 3.145 0 1 IGAF COC(=O)c1cc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2cn1 586946854 UBNPSDNHPWLVFM-UHFFFAOYSA-N 434.524 3.013 0 1 IGAF CCOC(=O)[C@H](C)[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346593 JTEMFDZTGKIGHS-NOQKTNJKSA-N 430.428 3.391 0 1 IGAF C=CN1CC[C@@H]([C@]2(c3cc(OC)cc(OC)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587435325 FJOZWZRVFKCYPF-FHAGJXEFSA-N 435.476 3.347 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(Cl)ncnc2N2CCOCC2)N1 587706684 RTCYRCLRAYZKQE-QLJPJBMISA-N 441.732 3.492 0 1 IGAF COc1cc([C@]2(C[C@@H](C)CC(=O)O)NCCc3c2c(C(C)C)nn3C)cc(OC)c1OC 962921300 SLFSSEHMWWSJMM-OWJWWREXSA-N 445.560 3.460 0 1 IGAF Cc1cc(C)c([C@]2(c3ccccc3)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1C 963206645 PYOHAHQXBMDLJS-VMODYCNZSA-N 440.547 3.385 0 1 IGAF CN1C(=O)S/C(=C\c2cc(OCc3cncnc3)c(O)c(F)c2Br)C1=O 1857556844 IEANUCBEHWUTGX-JYOAFUTRSA-N 440.250 3.329 0 1 IGAF CC(C)(O)CN=c1nc(-c2cccc(C(F)(F)F)n2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1857775036 NRKSVSMTVTZXKR-UHFFFAOYSA-N 438.841 3.376 0 1 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 4153910 KPNJNVQYVALZFK-APTRMMRNSA-N 434.492 3.490 0 1 IGAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@H](C)C(=O)NC2CCCCC2)C(=O)[C@]31C 15955504 IPMVKPVQPJVLLW-SHACYNPGSA-N 438.528 3.049 0 1 IGAF biogenic CCCS(=O)(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@@H]3CS3)cc2)cc1 34776343 GODQVOUTCHZIOJ-KRWDZBQOSA-N 428.553 3.487 0 1 IGAF O=C(NCCN1CCc2cc(F)ccc21)O[C@H](CC1CCCCC1)C(=O)N1CCOCC1 45506593 GDNNTWIIBVVEBQ-JOCHJYFZSA-N 447.551 3.112 0 1 IGAF O=C(NCc1ccccc1)[C@@H](CCO)N1CCN(C(c2ccccc2)c2ccccc2)CC1 66066425 YPCXDDKHBOMGOH-AREMUKBSSA-N 443.591 3.461 0 1 IGAF CCCCOC(=O)COC(=O)[C@@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085595 PXOKDGHPAAMLAR-KRWDZBQOSA-N 431.514 3.378 0 1 IGAF COc1ccc(-c2nc3c(NCCc4ccccc4F)ncnc3n2CCNC(C)=O)cc1 82180594 MWTBETOCXCPWGU-UHFFFAOYSA-N 448.502 3.432 0 1 IGAF C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCCCC1)c1ccccc1 95794882 TWDQSYAAPGNURU-VDCFHBLUSA-N 449.595 3.270 0 1 IGAF CC(C)(CO)CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 169704236 YVJSJUUNTJSCDD-GOSISDBHSA-N 429.471 3.097 0 1 IGAF CC(=O)N1CCc2c(c(-c3ccc(F)cc3)nn2[C@@H]2c3cc(F)cc(F)c3C[C@H]2O)C1 206898862 WEICWGGKMQKLHX-FYYLOGMGSA-N 427.426 3.378 0 1 IGAF COc1ccc(NS(=O)(=O)c2ccc3nc(CSC(C)(C)C(=O)O)[nH]c3c2)cc1 586958876 HNIFAONVDSMQEO-UHFFFAOYSA-N 435.527 3.469 0 1 IGAF CN(C)S(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1 587019770 WBSFGAYOVQNVQK-UHFFFAOYSA-N 447.567 3.174 0 1 IGAF O=C(O)[C@H]1[C@@H]2C[C@@H](C[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)[C@H]1C(=O)O 587347357 AZVUXYWQUUTIDF-OVIQGNHZSA-N 426.396 3.070 0 1 IGAF CCOC(=O)CCCC(=O)NCCC[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571900 MXZCMTSVSAXLDH-AVRDEDQJSA-N 441.480 3.352 0 1 IGAF CCOC(=O)c1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc(S(C)(=O)=O)cc12 587651306 QCNCYUMBEWBZMA-ZDUSSCGKSA-N 436.530 3.473 0 1 IGAF O=C(NCc1ccc(N2CCC(F)(F)C2)nc1)c1ccn(Cc2ccc(F)c(F)c2)n1 1857641440 UFPKGRZJBZMOLS-UHFFFAOYSA-N 433.409 3.380 0 1 IGAF COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@@H]3OC(C)(C)O[C@@H]32)cc(OC)c1O 2356418305 FKECPAHWABPMES-FVJLSDCUSA-N 432.469 3.340 0 1 IGAF COCCCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccc(OC)cc1OC 4080812 GIGRBVDQGHLIBQ-JTHBVZDNSA-N 441.528 3.014 0 1 IGAF CC(C)NC(=O)N1CC[C@H]2[C@@H]1C(=O)N(c1cccc(F)c1)C(=O)N2Cc1cccs1 25229265 YGHJKTVSCUDRKX-ZWKOTPCHSA-N 430.505 3.417 0 1 IGAF biogenic CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)c1noc(C(=O)NCc2ccc(C)o2)n1 82064457 CPFIHRSSODYKPV-QGZVFWFLSA-N 440.456 3.179 0 1 IGAF CN(C)CCN(C)c1nc([C@H](N)Cc2cccc(F)c2)nc2ccc(-c3cn[nH]c3)cc12 95585981 RMLVHGIFSMSTPF-OAQYLSRUSA-N 433.535 3.399 0 1 IGAF O=C(C[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 95866664 BUXNMIFPDSBWFP-SMIHKQSGSA-N 445.519 3.416 0 1 IGAF CO[C@]12CC[C@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@@H]2O5 100308149 OIJXLIIMXHRJJH-JCAKBTTHSA-N 425.569 3.388 0 1 IGAF CSc1ncc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccn2)n1Nc1ccccc1 103171314 XCOZLOCLLYUCKX-GOSISDBHSA-N 435.513 3.142 0 1 IGAF Cc1cncc(Oc2ccc(Cn3cc(C(=O)NCc4c(C)cc(N)nc4C)cn3)cc2)n1 114079690 LMKPUGVRQMCJJU-UHFFFAOYSA-N 443.511 3.346 0 1 IGAF COC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@@H]6C[C@H]56)[C@H]4C3=O)c2)cc1 169295844 MXPJBCSKVPHJGA-YGBDOONVSA-N 442.471 3.283 0 1 IGAF N[C@H]1C[C@H]1c1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccccc2)cc1 169703299 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CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3c(Cl)cccc32)CC1 261179668 VSZCUBGVEGARJW-WKILWMFISA-N 425.982 3.298 0 1 IGAF Cn1nc(C(=O)O)c(I)c1-c1nc2c(Br)cccc2[nH]1 587179492 AXBDGZWHYZEBOC-UHFFFAOYSA-N 447.030 3.029 0 1 IGAF CC[C@@H](C)n1ncc(I)c1-c1nc2c(S)nc(S)nc2[nH]1 587180580 HEINMVOHQOXTDG-RXMQYKEDSA-N 432.316 3.369 0 1 IGAF COC(=O)[C@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445633 XDPSTNDRHXZUDB-XPGRIIKNSA-N 443.496 3.142 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CN1C(=O)CCC1=O)c1ccccc1 587580254 BGIXSQJFKFOTOH-DHLKQENFSA-N 429.428 3.398 0 1 IGAF CC(=O)N1CCC([C@@]2(c3ccc(F)cc3F)N[C@H](C(=O)O)Cc3cccc(F)c32)CC1 962891489 BOUWQGQNEBEEBC-REWPJTCUSA-N 432.442 3.205 0 1 IGAF Cc1cc2c(cc1O)[C@@](CCC(=O)O)(c1cc(F)c(F)cc1Cl)N[C@H](C(=O)O)C2 963527553 PPUSYVAMQHXLTP-JXFKEZNVSA-N 425.815 3.340 0 1 IGAF C[C@H](C1=Nc2ccccc2S(=O)(=O)N1c1ccc(F)cc1)n1cnc2c(N)ncnc21 1857534044 MEDBWGCIKDUFTE-GFCCVEGCSA-N 437.460 3.048 0 1 IGAF 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OCc1cc([C@@H](O)CNCCc2ccc(NC[C@H](O)c3ccc(F)cc3)cc2)ccc1O 73224093 PQJGOUGXSMWICU-DQEYMECFSA-N 440.515 3.035 0 1 IGAF O=C(C[C@H]1C=C[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 95794175 WWBREHKQUAGTED-SGNDLWITSA-N 443.503 3.192 0 1 IGAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1)[C@H]1CC1(F)F 169702070 FNCHOLREEKOGDL-FGTMMUONSA-N 435.515 3.258 0 1 IGAF Cc1nnc2n1CCN(c1cccc(-c3c[nH]c4ccc(-c5nnc(N)s5)cc34)n1)C2 204769388 QWCWGAZSLRLOPF-UHFFFAOYSA-N 429.513 3.251 0 1 IGAF Cc1cc(Cl)cnc1C(=O)Nc1ccc2c(c1)[C@]1(COC(N)=N1)C1(COC1)C(C)(C)O2 207168161 WTTPTTMLIGTSRC-JOCHJYFZSA-N 442.903 3.024 0 1 IGAF Cc1c(NS(=O)(=O)c2ccc3nc(C4CCC4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 586885005 USNGJQHHFSIYQL-UHFFFAOYSA-N 437.525 3.429 0 1 IGAF CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3ccc(C)nc3[nH]2)cc1 586933108 MTYXGRPKJDOBGH-UHFFFAOYSA-N 449.492 3.010 0 1 IGAF CC(C)[C@H](N)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 587259666 YMLHOHWJGFPJMP-QHCPKHFHSA-N 434.588 3.261 0 1 IGAF 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426.517 3.213 0 1 IGAF CCC1(CC)C(=O)N(C(=O)NCc2ccc3c(c2)OCO3)[C@@H]1Oc1ccc(C(=O)O)cc1 27207096 NIXWODLMZOUNNT-OAQYLSRUSA-N 440.452 3.377 0 1 IGAF COc1cc2nc(N3CCC(C(N)=O)CC3)nc(NCc3cccs3)c2cc1OC 82125320 NHZYISSOVJOFDZ-UHFFFAOYSA-N 427.530 3.022 0 1 IGAF Cc1cnc(N[C@H](CO)CC(C)C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 89469324 HPYVSMSPSSUSQV-PZJWPPBQSA-N 437.544 3.062 0 1 IGAF O=C(Cc1ccccc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO 95866258 FBOQZBKGMGNFKB-DXBVXKBHSA-N 444.506 3.233 0 1 IGAF CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(F)c(OC)c1 101162873 MZPGIPIQQNZECD-OAHLLOKOSA-N 441.459 3.145 0 1 IGAF O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1C1CCCC1 101584762 VMTZDIHMLVWUQZ-UBAAKOSRSA-N 426.561 3.004 0 1 IGAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(O[C@H]4COCC[C@H]4O)ccc3F)nnc12 145752960 NFDRPYVQPHIFFA-UXHICEINSA-N 435.459 3.193 0 1 IGAF CC(C)(O)c1coc(Cn2ncc(NC(=O)c3ncsc3-c3cccc(F)c3)n2)n1 200100771 RQMPJEIXHCSHRM-UHFFFAOYSA-N 428.449 3.057 0 1 IGAF CC(C)(O)CNc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1 221968942 GVEBDZPIKSWGAG-KRWDZBQOSA-N 448.506 3.280 0 1 IGAF CS(=O)(=O)NC[C@H]1CC[C@H](c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn32)CC1 254043273 KBMBTBITALWBQM-SHTZXODSSA-N 438.557 3.283 0 1 IGAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(Br)c(Br)cc2[nH]1 587204733 SENVAOBFNGOXGE-LBPRGKRZSA-N 446.143 3.167 0 1 IGAF COc1ccc(C(=O)n2ncc3ccc(Cl)cc3c2=O)cc1I 587652539 UMJUIPVNOPBTBS-UHFFFAOYSA-N 440.624 3.352 0 1 IGAF O[C@@](Cn1cncn1)(Cn1cnc(SCc2cccc(F)c2)n1)c1ccc(F)cc1F 1857578158 IPQJFFXCDGRHCM-FQEVSTJZSA-N 446.458 3.167 0 1 IGAF CC1=CC(=O)O[C@@H]1CC[C@]1(C)O[C@]2(CC(C)C)O[C@@H]3C[C@H](C)[C@@H]4C(=O)[C@H]1[C@@]2(O)[C@@H](C)[C@H]43 2356401161 VGGDLZPNGMJOKK-PIOGMBTBSA-N 432.557 3.407 0 1 IGAF O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)C1 4035266 LOROWHOBQMIPAH-REWPJTCUSA-N 433.556 3.170 0 3 IGAF O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCN(c2ccccc2Cl)CC1 201460600 WPCSSLHBIGVLSY-UHFFFAOYSA-N 446.960 3.372 0 3 IGAF CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCC(C)(C)CO 4045594 RKLFOPXHYWNILM-FYYLOGMGSA-N 439.556 3.378 0 1 IGAF C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)[C@@H]1C 9211511 CRQWDUKRSXCEAN-JXXFODFXSA-N 441.553 3.023 0 1 IGAF O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccs1 13152802 AZVWOTWGCYDHKK-FUOYASODSA-N 440.908 3.449 0 1 IGAF CC(=O)SC[C@H](Cc1ccccc1)C(=O)NCC(=O)SC[C@@H](N)Cc1ccccc1 26502526 KHJOQEAFEBRPHD-SFTDATJTSA-N 444.622 3.071 0 1 IGAF O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccc(Cl)c2)cc1)N1CCCCC1 26961855 HTPNCGQJAGDAHC-NRFANRHFSA-N 437.993 3.348 0 1 IGAF Cc1ccc([C@@H]2C(c3ccccc3)=NN(c3ccccc3)C23C(=O)N(C)C(=O)N(C)C3=O)o1 72118260 QMFPZFZAQHQIPX-HXUWFJFHSA-N 442.475 3.385 0 1 IGAF CCn1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccc(S(C)(=O)=O)cc1 84690749 CPHAXASSDXNLTO-UHFFFAOYSA-N 445.570 3.044 0 1 IGAF CN1CCN(c2cccc(Nc3ncc4c(n3)N(C)c3ccccc3C(=O)N4C)c2)CC1 89464792 HNXLEVKZEPXIAQ-UHFFFAOYSA-N 429.528 3.330 0 1 IGAF Cc1nnc(C[C@H]2CC[C@H](c3ccc(N4CCOc5ncnc(N)c5C4=O)cc3)CC2)[nH]1 101693150 LZSCWXMRIVANDY-IYBDPMFKSA-N 433.516 3.041 0 1 IGAF C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=O)(=O)C3CC3)cc2)ncc1C(F)(F)F 140228137 BAOWDLOLYGOWOE-GHMZBOCLSA-N 431.436 3.323 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3nc4ccccc4n3)c2)c2cncnc21 169707676 UEXLJRFOBMUOME-UHFFFAOYSA-N 440.467 3.022 0 1 IGAF NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(C(=O)N[C@H]4CCc5ccccc54)cc23)c1 204661377 QNJPPYRKUIDJSC-FQEVSTJZSA-N 432.505 3.295 0 1 IGAF CC1(COc2nc(C(=O)NC(C)(C)c3nccs3)ccc2N2CC(F)(F)C2)COC1 206688036 PRWRZHFVIKSKFL-UHFFFAOYSA-N 438.500 3.074 0 1 IGAF Cn1cnc(S(=O)(=O)N2C[C@H](c3ccc(F)cc3)[C@@H](Nc3cccc(Cl)c3)C2)c1 220716731 KAWLEQDIBOZKFD-MOPGFXCFSA-N 434.924 3.481 0 1 IGAF COc1cc2c3c(c1)O[C@](CSc1nnnn1-c1ccccc1)(c1ccc[nH]1)[C@@H](C2)C3=O 587449736 CMOHOBYDYJUMLA-SBUREZEXSA-N 445.504 3.434 0 1 IGAF CCN(c1ccc(-c2csc(/C(=C\c3ccccc3O)C(N)=O)n2)cc1)S(C)(=O)=O 587922554 DVPJDFKRNJPFNL-ATVHPVEESA-N 443.550 3.328 0 1 IGAF COc1c(C)c(OC(C)=O)cc2c1C(=O)[C@@H](OC(C)=O)[C@H](c1ccc(OC(C)=O)cc1)O2 685935601 ASHPMUOPXZTLQY-XZOQPEGZSA-N 442.420 3.102 0 1 IGAF biogenic,in-vitro O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC(O)C2)c(-c2cncnc2)c1 1772618086 CBPASGWEOSMXDT-UHFFFAOYSA-N 447.829 3.140 0 1 IGAF CCOc1ccc(S(=O)(=O)N(CCCO)c2cc(OC)c(Cl)cc2OC)cc1 1857535274 FBBFUDYMUKUPAC-UHFFFAOYSA-N 429.922 3.334 0 1 IGAF CCOC(=O)c1c[nH]c2ccc(-c3cc[nH]c(=N)c3)nc2c1=N[C@H]1CC[C@H](CN(C)C)CC1 1911582641 ZGJJMIQVKFAISS-SAABIXHNSA-N 448.571 3.235 0 1 IGAF CO[C@@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@]3(C)CCC(=O)[C@](C)(CO)[C@H]3CC[C@]12C 2356478130 UONFZXULJHDDCK-CSWNFKSESA-N 436.589 3.124 0 1 IGAF CC1(C)C=Cc2c(ccc3c2N(O)[C@@H]2C3=C[C@@]34NC(=O)[C@@]5(CCCN5C3=O)C[C@H]4C2(C)C)O1 2356852846 QUBIKEGTSZLTCD-LGZXMISNSA-N 447.535 3.122 0 1 IGAF COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)cc2OC)cc1 1795548 ZOFFNDGMQVFDHY-VXKWHMMOSA-N 449.459 3.457 0 1 IGAF CC(C)n1nc(C(=O)NC2CCN(CCNC(=O)c3ccccc3)CC2)c2ccccc21 3940819 BJYHYOYVIPQANQ-UHFFFAOYSA-N 433.556 3.241 0 1 IGAF O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(F)cc1Cl 4206607 DCLKKNBQHYQENQ-MJGOQNOKSA-N 441.286 3.349 0 1 IGAF CN[C@H](Cc1ccccc1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 13444848 NQVNEFLFZVEJSK-RUZDIDTESA-N 449.595 3.023 0 1 IGAF COc1ccccc1N1CCN(Cc2ccc(CN3C(=O)c4ccccc4C3=O)o2)CC1 13743852 FQPYQERAUASZPW-UHFFFAOYSA-N 431.492 3.407 0 1 IGAF CCOP(=O)(OCC)[C@](C)(CC)NC1=NC(C(F)(F)F)(C(F)(F)F)NC(=O)N1 17254621 BGMLAPJXCULMRW-SNVBAGLBSA-N 442.297 3.458 0 1 IGAF C[C@H](CN1CCN(C[C@H](c2ccccc2)N2CCN(C)CC2)CC1)C(=O)c1ccccc1 22927898 NRCDDSSITXKKIP-ZEQKJWHPSA-N 434.628 3.112 0 1 IGAF O=C(Nc1ccc(Cl)cc1)NC1CCN(C[C@H](O)[C@H]2COc3ccccc3O2)CC1 27994554 OJYCIFGXJFLJFX-GHTZIAJQSA-N 431.920 3.127 0 1 IGAF CCC(=O)O[C@]12CCC(C(=O)OC)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O 28966635 USXZUUGIHLNJMW-QNSGMBKMSA-N 446.496 3.261 0 1 IGAF COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)c2cccs2)CC1 40949933 CSDYSQBSRIUXRM-UHFFFAOYSA-N 437.949 3.044 0 1 IGAF CN[C@@H](C)[C@H]1CCN(c2c(F)cc3c(=O)c4c(O)nsc4n(C4CC4)c3c2OC)C1 71317896 SOJRULJEVFPUAA-QWRGUYRKSA-N 432.521 3.234 0 1 IGAF COc1ccc(C2=NO[C@H](c3ccc(C)cc3)[C@H]2S(=O)(=O)CC2=NCCS2)cc1 72118531 YZSPHQAZULQHHU-RTWAWAEBSA-N 430.551 3.408 0 1 IGAF C[C@@H]1CNc2c(NC(=O)c3ccccc3)c(=O)n(Cc3cccc4ccccc34)c(=O)n21 82212298 VXHVMGMXMODYOB-MRXNPFEDSA-N 426.476 3.450 0 1 IGAF O=C(NCCc1nc2ccccc2[nH]1)c1cc(Br)cn2nc(C3CC3)nc12 95577930 XUXVLVPJLSBZEW-UHFFFAOYSA-N 425.290 3.218 0 1 IGAF O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO 95664646 XFHPTNMTQHMBQH-CUYJMHBOSA-N 430.479 3.304 0 1 IGAF CCCNC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CCC)C[C@@H](C)[C@@H](OC)CN(C)C2=O 95688041 XSKPUOALZGMDOU-HMFYCAOWSA-N 448.608 3.434 0 1 IGAF CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2Cc1ccccc1 95879907 IPTGCJZVUZYHOP-VGCGRUFVSA-N 447.579 3.058 0 1 IGAF O=C(Nc1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 95893801 MZMOWTFDTPCNCQ-FSSWDIPSSA-N 432.455 3.242 0 1 IGAF COCC(=O)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)Cc1ccccc1 117289955 BISGQLHWYWYLHZ-BKFWDETESA-N 435.568 3.171 0 1 IGAF Cc1cc(C[C@H](N)C(=O)O)cc(C)c1Oc1ccc(O)c(I)c1 167763972 FEDBOASHFLBNPZ-AWEZNQCLSA-N 427.238 3.360 0 1 IGAF COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H]4C[C@@H]5OC(=O)[C@@H]3[C@@H]5C4)c2)c(OC)c1 169301822 RSKYRWYPOSHAMP-IDFVYPEASA-N 436.464 3.092 0 1 IGAF Cc1ccc(CN2C(=O)OC[C@H]2C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)cc1 169345811 MMNVMGZDLMGDIF-MOPGFXCFSA-N 431.533 3.079 0 1 IGAF CO[C@@H]1CCC[C@H](N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)C1 223900936 NYTYNQKRYNWVDX-IPMKNSEASA-N 430.570 3.375 0 1 IGAF CC[C@@H](NC1=N[S@](=O)N=C1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C(C)C)co1 253838962 FKEAPOKGKRZRRW-QLCIJSRNSA-N 445.545 3.353 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(N)ncc3[nH]2)c1 586931280 ZUIZKUQRYDSFKO-UHFFFAOYSA-N 428.562 3.228 0 1 IGAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(N)cc(C(=O)O)c3)[nH]c2c1 587251359 DQVXRONCHWSXFV-UHFFFAOYSA-N 438.465 3.320 0 1 IGAF C=CN1CC[C@H]([C@@]2(c3cnccn3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1=O 587581124 GHLRLDRHIBPQSE-GANZUKCXSA-N 429.432 3.031 0 1 IGAF COC(=O)/C=C/CNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)C1 621477637 RFAXPYLCTLXAIN-AUYOJAJCSA-N 430.888 3.298 0 1 IGAF COc1cc(OCCCC(=O)O)ccc1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963230972 RGUDXPTWJBACKB-NFBKMPQASA-N 436.464 3.175 0 1 IGAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCN(CCO)CC1 1772597841 RUOFTXAXZVRPMY-UHFFFAOYSA-N 446.429 3.191 0 1 IGAF COCc1ncc(Cc2ccc3cccc(OCC(N)=O)c3n2)c2cc(OC)c(OC)cc12 1772632853 MPGDMRLXGZKDOW-UHFFFAOYSA-N 447.491 3.402 0 1 IGAF C[C@@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)C[C@@H](C)N1 1772641109 VIRGBRQFVJELSV-VXGBXAGGSA-N 425.924 3.450 0 1 IGAF C[S@](=O)c1cccc(-c2ccc3ncc(Nc4cccc(S(C)(=O)=O)c4)n3n2)c1 1857603376 VNWLLTUFJRUSDY-NDEPHWFRSA-N 426.523 3.281 0 1 IGAF CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@@H]1C(=O)C[C@](C)(O)[C@H]1CC[C@@](C)(OC(C)=O)[C@H]2O1 2356804845 VAQGODVKRFPJFH-FKJWHTCZSA-N 438.561 3.200 0 1 IGAF COCC(=O)N[C@@H]1C[C@@H]2O[C@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2)cc1 95869485 QUBXIHMWQRPUCU-QVXKZJQXSA-N 439.552 3.115 0 3 IGAF O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccc(Cl)c(Cl)c1 198622336 DNDHMXSZUDACBN-UHFFFAOYSA-N 447.366 3.152 0 3 IGAF CCOc1ccccc1[C@@H]1ON=C(c2ccccc2)[C@@H]1C(=O)NCCCN1CCCC1=O 4049743 UNTNFIXAYFMABE-UPVQGACJSA-N 435.524 3.306 0 1 IGAF CC[C@H](C)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C(=O)OC)cc2)C1=O 43743310 GNESTVCFFQFVHB-BXKTYXQLSA-N 445.519 3.438 0 1 IGAF biogenic CCCCCCOc1ccc(-c2nc(C(=O)N(C)CC(=O)N3CCCNCC3)co2)cc1 82073854 CRDBVTGFMVHIFW-UHFFFAOYSA-N 442.560 3.195 0 1 IGAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccco1 82142501 XVYSKYAKQLFHOQ-LJQANCHMSA-N 447.539 3.409 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H](C)NC[C@H]1C 95689115 QIMBDCVCKXPNLA-YVHKJVDXSA-N 440.544 3.424 0 1 IGAF O=C(Nc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1 95893822 QANJHBGFGNYLKR-AKFKNWHVSA-N 428.492 3.032 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1cccnc1 95893849 SUBBDXRKAIIZIF-GPXNEJASSA-N 446.482 3.171 0 1 IGAF COc1cc(Cl)ccc1CC1(OC)CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 216304269 KKZQKMYNFDBBBA-UHFFFAOYSA-N 441.981 3.111 0 1 IGAF NC1=N[C@@](c2cc(NC(=O)c3ccc(Cl)cn3)cc(F)c2F)(C(F)F)[C@H]2C[C@H]2O1 226087833 VSAHBSNDLPIUOA-ZWRLQWNWSA-N 428.773 3.459 0 1 IGAF O=C(NS(=O)(=O)N1CC(F)C1)c1cc(C2CC2)c(OC[C@@H]2CC[C@@H]3C[C@H]3C2)cc1F 261174365 UMTGTYIFLKEQDR-BPLDGKMQSA-N 440.512 3.146 0 1 IGAF O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2ccccc2)CC1 474609473 QKAAUECANFAGOP-AREMUKBSSA-N 432.568 3.372 0 1 IGAF CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3c(C)nccc3[nH]2)cc1 586933279 KVIRHLLYHIDQFR-UHFFFAOYSA-N 449.492 3.010 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1ncc(Br)cc12 587683484 NMJIPFBRXMZYCE-VGDKGRGNSA-N 441.098 3.476 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(N3CCN(C)CC3)s2)N1 587856838 ZCCOAPTYMKWZNS-DIFFPNOSSA-N 425.371 3.420 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](C)CN1C[C@H](C)O[C@H](C)C1 587869421 IELDNDRQHAMBPO-MCIONIFRSA-N 426.439 3.358 0 1 IGAF C[C@]1(c2ccc(N3CCOCC3)s2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962624342 BUJQMFVAWMUQKW-BFUOFWGJSA-N 442.459 3.346 0 1 IGAF CCCCNC(=O)[C@@H]1[C@@H]2[C@H]1CC[C@]21NCC2(CCOCC2)c2ccc(OC)c(OC)c21 963183108 DFKBVNDJAOCNRB-ZCGKIOINSA-N 428.573 3.123 0 1 IGAF CCn1c(C2(O)c3ccccc3-c3ccccc32)nc2ccc(C(=O)NC[C@@H](C)O)cc21 1857549759 XHGPNWWSGLTRPE-MRXNPFEDSA-N 427.504 3.431 0 1 IGAF COc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(F)cn2)c1 1857613237 MESLDICLZXVBQU-UHFFFAOYSA-N 441.488 3.178 0 1 IGAF N=c1[nH]c(=N)c2cc(NCc3ccc(CCNC(=O)c4ccc(F)cc4)cc3)ccc2[nH]1 1857641801 NCNBXHWLYRNNFF-UHFFFAOYSA-N 430.487 3.179 0 1 IGAF COc1ccc(-c2cnn3c(N)c(-c4ccccc4)c(=NCCCN(C)C)[nH]c23)cc1OC 1911574234 ZHPRBIFEDSMSRL-UHFFFAOYSA-N 446.555 3.448 0 1 IGAF CCOC(=O)[C@H](C)[C@@H]1CC[C@H](C[C@H](CC)OC(=O)[C@H](C)[C@@H]2CC[C@H](C[C@@H](C)O)O2)O1 2356588683 ZVKREMVFSQFIJJ-OGZRJVFESA-N 428.566 3.400 0 1 IGAF CC(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@@H](C)[C@]23Cc2c(O)cc4c(c2O3)CNC4=O)C1(C)C 2356719859 JOLITHWHEFIGDT-MXCIXEJVSA-N 443.540 3.084 0 1 IGAF COc1cc(C[C@@H](COC(C)=O)[C@H](COC(C)=O)Cc2ccc3c(c2)OCO3)ccc1O 14437663 OHTVIXMKRHHBBH-PMACEKPBSA-N 444.480 3.273 0 1 IGAF biogenic Cc1ccc(S(=O)(=O)Cc2noc([C@@H]3C[C@@H](O)CN3CCCc3ccccc3)n2)cc1 15674551 CKIBJMGJODAHRH-CTNGQTDRSA-N 441.553 3.092 0 1 IGAF biogenic CCC[C@H](C(=O)NCc1ccccc1)N1C(=O)[C@@H](CCCN)N(Cc2ccccc2)C1=O 26390175 XQDYJKGVPIUNAB-FGZHOGPDSA-N 436.556 3.043 0 1 IGAF Cc1cc(C)c(NC(=O)OCc2ccccc2)c(C(=O)N[C@@H](CC(=O)O)C(=O)CF)c1 28825307 AIDRUUBHVQWYRZ-KRWDZBQOSA-N 430.432 3.164 0 1 IGAF COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)c2ccccc2F)CC1 40951056 LZVXNTDRSLVEJI-UHFFFAOYSA-N 449.910 3.121 0 1 IGAF Cn1c(CCC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)nc2ccccc21 49048742 YDWFSEKAZCJKNR-DEOSSOPVSA-N 443.551 3.405 0 1 IGAF CO[C@H]1CN(c2nc(C(=O)O)c(C)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl 141222728 WFMUMQMFBZBKLT-ZJUUUORDSA-N 447.344 3.117 0 1 IGAF N[C@@H]1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2[C@@H]1Cc1ccccc1Cl 143303410 OVOTWUXYGISXHK-RBBKRZOGSA-N 434.989 3.400 0 1 IGAF CN1CCN(c2nccn3c(-c4ccnc(NCc5cccc(Cl)c5)n4)cnc23)CC1 169701249 IUQJPZNIOPKDCD-UHFFFAOYSA-N 434.935 3.204 0 1 IGAF CN1CCC[C@H]2CN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(O)cc3)C[C@H]21 299805963 JBUVEDXBSJTVCV-RCDICMHDSA-N 437.471 3.064 0 1 IGAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc(Br)ccc1OC 299876873 GKBGUGFPVZYPRO-QKYXUNIQSA-N 447.329 3.437 0 1 IGAF COC(=O)c1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2c1OC 586935513 INPOEOXDSXAMGY-INIZCTEOSA-N 449.554 3.131 0 1 IGAF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4c(N)cncc4OC)nc3c2)cc1 587253951 HYJIGEDWHBJABB-UHFFFAOYSA-N 425.470 3.025 0 1 IGAF NC(=O)c1c(O)ncc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587337479 POUHEGSNBPSDED-YKSBVNFPSA-N 434.423 3.322 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OCC)(c1ccc3c(c1)OCO3)CC2=O 587486700 MJQLXXKRBCUYTO-DEOSSOPVSA-N 440.448 3.456 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587774086 LGBKGGQMERGHON-ODXCJYRJSA-N 435.293 3.283 0 1 IGAF Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(=O)O)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962765839 NRZCPWHUFIXJHW-AVRDEDQJSA-N 443.425 3.463 0 1 IGAF CC(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc1n2CCN[C@@H]1Cc1ccc(C(=N)N)cc1 1772569767 GWQOWRLVXRXXGY-OAQYLSRUSA-N 444.583 3.107 0 1 IGAF O=C(Nc1cccc2nsnc12)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O 5983623 NYRIXOYDRXFNGO-UHFFFAOYSA-N 449.926 3.495 0 3 IGAF O=C(NCc1cccnc1)c1cc([C@H]2CCCCN2S(=O)(=O)Cc2ccccc2)on1 61928878 QMWJTRJJAZYJRZ-HXUWFJFHSA-N 440.525 3.057 0 3 IGAF CNC[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C 95662580 NEAMIVWIATVNNI-BSRJHKFKSA-N 435.568 3.423 0 3 IGAF O=C(N[C@@H]1CCc2ccccc21)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 786144 BNTVAZJVHSEMDJ-BKULYWANSA-N 448.567 3.460 0 1 IGAF CCOc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2cccnc12 8659805 SNXLOPFTWNAIOP-UHFFFAOYSA-N 438.509 3.232 0 1 IGAF CCOC(=O)c1[nH]c2ccc(CCN3C(=O)c4ccccc4C3=O)cc2c1CCN(C)C 13605917 YMXWFSNFGRUCRB-UHFFFAOYSA-N 433.508 3.287 0 1 IGAF Clc1nc2c(N3CCCC3)nc(N3CCOCC3)nc2nc1NCc1ccccc1 13782035 IZFAPNYOMARFQN-UHFFFAOYSA-N 425.924 3.122 0 1 IGAF C[C@H](C(=O)NCCC(F)(F)F)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21 28824915 RNMFABUEABNDQC-ACJLOTCBSA-N 433.430 3.192 0 1 IGAF CC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(C)O[C@@H](C4=CCOC4=O)C[C@H]3[C@]2(C)CC[C@H]1OC(C)=O 28955964 GWGVFGBCUMIJFX-HSWPYSAYSA-N 434.529 3.345 0 1 IGAF CC1=CC(=O)O[C@@H]1CC[C@H](C)C(=O)[C@@]1(O)C2=CC(C)(C)O[C@]2(O)[C@H](C)[C@H]2CC[C@@H](C)[C@@H]21 38359830 CZSWARCYWCYVPW-SHWZWCJUSA-N 432.557 3.310 0 1 IGAF in-vitro N=C(N)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2s1 49792397 JRNUVWINPQSBAB-KRWDZBQOSA-N 439.541 3.427 0 1 IGAF COc1ccc(C(=O)C2CCN([C@H]3CCN(C(=O)c4ccc(F)cc4)C[C@@H]3O)CC2)cc1 72182623 BZEHXQZOWCYGFY-GOTSBHOMSA-N 440.515 3.005 0 1 IGAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2)C1 82132945 VVBYMWNVXMWZDE-BJLQDIEVSA-N 435.572 3.496 0 1 IGAF O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1)c1cc(Cl)cc(Cl)c1 95903446 BEXHONHOIJOFFZ-QRVBRYPASA-N 443.371 3.328 0 1 IGAF O=C(c1ccc2c(c1)CC[C@H]1[C@H]2CCCN1C(=O)c1ccc2[nH]cnc2c1)N1CCOCC1 117619328 SDGRPMHICWSBQB-URXFXBBRSA-N 444.535 3.370 0 1 IGAF CC[C@@H](NC(=O)c1cc(C(=O)NCc2cnccn2)n2c1[C@H](C)OCC2)c1ccccc1 143687301 OAMFUEALPHDIKW-OXJNMPFZSA-N 433.512 3.180 0 1 IGAF CC(=O)N1CCN(c2ccc(S(=O)(=O)N(Cc3ccccc3)CC(C)C)cc2)CC1 145353013 HREGAPCTZYCMHL-UHFFFAOYSA-N 429.586 3.202 0 1 IGAF O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC(O)C2)c(-c2ccn[nH]2)c1 224428952 ZYRMYJJWFWLVEN-UHFFFAOYSA-N 435.818 3.073 0 1 IGAF Cn1cnc(S(=O)(=O)N2C[C@@H](Nc3cccc(Cl)c3)[C@@H](c3ccc(F)cc3)C2)c1 225837821 KAWLEQDIBOZKFD-RTBURBONSA-N 434.924 3.481 0 1 IGAF NC(=O)c1cccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c12 586955517 ZPBVKWHJIDHGPU-UHFFFAOYSA-N 434.521 3.383 0 1 IGAF CC[C@@H]1[C@@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 587397267 ZAGXCKTUKWDQBP-WLENULPWSA-N 432.517 3.490 0 1 IGAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(CSc4nnnn4C)c1)[C@@H](C2)C3=O 587454419 YGJKOCPLCMKYNG-KSFYIVLOSA-N 438.509 3.182 0 1 IGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C(=O)O)=NN(CC)c2cc3c(cc21)OCO3 587485673 JQGPHVZTHBGSPI-HSZRJFAPSA-N 438.436 3.215 0 1 IGAF CCOC(=O)C(=O)C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586927 LTECYFRSQBCMAP-GBXCKJPGSA-N 433.416 3.167 0 1 IGAF Cc1c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cnc2cc(C(=O)O)nn12 587798317 URCGBCUGDWOELV-HOGDKLEQSA-N 433.281 3.435 0 1 IGAF COC(=O)[C@@H]1CCN(Cc2ccccc2)C[C@@]12c1c(ccc(OC)c1OC)C[C@@H](C)N2C 962623086 KPNCVWJMDJJPQI-JDITYXQVSA-N 438.568 3.471 0 1 IGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(c1cccc(F)c1)[C@@H]1CCNC1 963142892 LQDWDQKUTXUMTF-AOSWFRPUSA-N 447.532 3.382 0 1 IGAF COC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)[C@@H](O)C[C@@]4(O)[C@@H]3CC[C@@H]2C1 1857579661 HLVMTJOTGLNNPR-KTNNZSLWSA-N 448.556 3.366 0 1 IGAF O=C(NCc1ncc(F)cc1F)c1csc(CNCCCc2nc3ccccc3[nH]2)n1 1857585255 GNZRMCPQYLVRJQ-UHFFFAOYSA-N 442.495 3.345 0 1 IGAF COc1cc(C(=O)[C@@H](COC(=O)CC(C)C)c2cc(C=O)cc(OC)c2O)ccc1O 1857594725 UPBQHHRBDWWYCJ-KRWDZBQOSA-N 430.453 3.483 0 1 IGAF FC(F)c1cncc(-c2nc(=N[C@H]3CCC(F)(F)C3)[nH]c(=N[C@H]3CCC(F)(F)C3)[nH]2)n1 1857653674 IYNSADUHPNFIGN-UWVGGRQHSA-N 447.387 3.309 0 1 IGAF CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3C=C(C)C[C@H](CO)C[C@@H]1O 2356791659 IVHIYFAYONFDBJ-HJQSGZNWSA-N 447.616 3.029 0 1 IGAF CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)Nc2cccc(Cl)c2)CC1 36387740 URVBPHTYWFMQQY-UHFFFAOYSA-N 447.923 3.445 0 3 IGAF O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 4053714 HHOFWFTZXZILOM-QWFCFKBJSA-N 429.879 3.356 0 1 IGAF O=C1CCc2cc(S(=O)(=O)N[C@@H](C(=O)NC3CCCCC3)c3ccccc3)ccc2N1 9610543 OTSSAPWVVJPYKO-JOCHJYFZSA-N 441.553 3.040 0 1 IGAF CC(=O)N1CCN(CCOc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1 13588769 PNAKABLUPFQYPX-UHFFFAOYSA-N 430.508 3.219 0 1 IGAF CCc1c(CC(N)=O)cn2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c12 14954090 LVLMWYNJGBBWEX-UHFFFAOYSA-N 425.496 3.461 0 1 IGAF CC(=O)O[C@@H]1C=C2C(=O)OC[C@]23C[C@H](OC(C)=O)[C@H](C)[C@](C)(C[C@@H](O)c2ccoc2)[C@H]3C1 15197153 QNEVSNMXAPYPNG-UFKJVALWSA-N 446.496 3.102 0 1 IGAF biogenic O=C(N[C@@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@@H]2C1)c1cccnc1 25189906 GFPHDJUQZUHBMJ-XLIONFOSSA-N 432.505 3.165 0 1 IGAF biogenic COc1ccc([C@@H]2Cc3c(cccc3C(F)(F)F)N(CCN)C(=O)[C@@H]2OC(C)=O)cc1 27878820 IVJIXESHPJTUEG-OXJNMPFZSA-N 436.430 3.277 0 1 IGAF COC(=S)NC[C@H]1CN(c2ccc(Oc3ccc(NC(C)=O)cc3)c(F)c2)C(=O)O1 28375334 APZRFPFARXPIAE-INIZCTEOSA-N 433.461 3.423 0 1 IGAF CCO[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@@H]12)OCO3 29336154 XWWKNDVCCMQSIV-POHZVDBMSA-N 428.437 3.150 0 1 IGAF CO[C@@H]1/C=C/C=C/C=C/C[C@H](O)C[C@H](O)C/C=C/C=C/C=C/C(=O)O[C@@H](C[C@H](C)O)C1 42888911 SZPWNRYGTQYOLD-YJLFSFPYSA-N 432.557 3.317 0 1 IGAF CCC[C@H](N[C@H]1COc2ccccc2C1)C(=O)Nc1cn(C(C)(C)CN2CCCC2)cn1 71341941 BOFBOKLRCCXCOC-RTWAWAEBSA-N 439.604 3.415 0 1 IGAF C[C@@H](NC(=O)c1cnc(-c2ccccn2)nc1)c1cccc(-c2noc(C(C)(C)O)n2)c1 72315459 VLOHLIHCEHKFOL-CQSZACIVSA-N 430.468 3.307 0 1 IGAF COC(=O)C/C=C\C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 95554621 FDLAWQMKYQSKSJ-RMZYQXFCSA-N 436.932 3.059 0 1 IGAF C/C=C/c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)C1CCCCC1)O2 95703322 WTCHHFMVAYUPLM-DSKKDMFNSA-N 443.588 3.374 0 1 IGAF COC(=O)c1sc(Cl)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@@H]1C 103298624 CLKSTHOPZSIIER-ZETCQYMHSA-N 435.310 3.377 0 1 IGAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(Nc4cc(Cl)ccc4F)nc23)N1 117830731 MPLIXQKBZMDAJK-RZNTYIFUSA-N 427.827 3.020 0 1 IGAF O=C1CN=C(n2cnc(C3CCC3)n2)C=C2c3cccc(-c4ccc(F)nc4)c3CCN12 149090063 RTJVSODYBWREQD-UHFFFAOYSA-N 428.471 3.433 0 1 IGAF Cc1csc(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCCCCN2CCCC2)C32CC2)n1 168474422 IDCDWISZDMTKSB-FCGDIQPGSA-N 428.602 3.211 0 1 IGAF CCn1c(C2CC2)nc2c(c1=O)CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2 169711777 CDEIQUFGPQBAOJ-UHFFFAOYSA-N 445.502 3.256 0 1 IGAF CCCSc1nc(N2CCN(C)CC2)ccc1C(=O)N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2 263620496 HCCPSOBZLRHGQN-SPYNCGLJSA-N 444.645 3.005 0 1 IGAF in-vitro O=C1OCC2=C1[C@@]1(C(=O)Nc3ccc(Br)cc31)c1c(-c3ccccc3)n[nH]c1N2 299870178 VYTZSQYSEPCMRO-OAQYLSRUSA-N 449.264 3.314 0 1 IGAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4c(F)cnc(Cl)c4[nH]3)cccc12 586941633 LTYCOYKPPYNRSS-UHFFFAOYSA-N 433.896 3.448 0 1 IGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(OCCN(C)C)cc4[nH]3)CC2)cc1 586954827 JCYRKMBHMGBNMA-UHFFFAOYSA-N 442.585 3.380 0 1 IGAF CCS(=O)(=O)c1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2c1 587260442 XXBQPQCBWOEECW-KRWDZBQOSA-N 430.530 3.063 0 1 IGAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C3[C@H](C(=O)O)[C@H]3C(=O)O)[nH]c12 587969813 AFLYSJFJILISGF-KBPBESRZSA-N 433.342 3.333 0 1 IGAF O=C(C1CC1)N1CCc2c(sc3c2c2ncnn2c(=O)n3Cc2ccc(Cl)cc2)C1 1772610209 FYTZTJBBBNSPSE-UHFFFAOYSA-N 439.928 3.102 0 1 IGAF COc1cc(N2C[C@@H]3CC[C@H](C2)[C@H]3N=c2nc3n([nH]2)CCCN3c2cccc(F)c2)ccn1 1857555990 CYQUZTVMTBZINH-FAQVEIGNSA-N 449.534 3.111 0 1 IGAF CC1=CC[C@@H]2[C@H](C=C(C)[C@@H]3[C@]4(C)OCC[C@H](C)[C@@H]4O[C@H](C=CC=CC(=O)O)[C@H](O)[C@@]32O)C1 2356418658 ROAXMKARTPGXAB-AWHZJAKTSA-N 444.568 3.407 0 1 IGAF CN(C)c1ccc(-c2cc([C@@H]3CN4CC[C@H]3C[C@H]4CNC(=O)c3ccco3)n(C)n2)cc1 2356866102 VMDUHDYJIHUWAY-SESVDKBCSA-N 433.556 3.354 0 1 IGAF CCOc1cc2[nH]c(=O)n(CCCCC(=O)N3CCCCCC3)c(=O)c2cc1OCC 3958702 ZFQDTKHRVRYUEW-UHFFFAOYSA-N 431.533 3.060 0 3 IGAF O=S(=O)(c1ccc(Cl)cc1)N1Cc2cc(Br)ccc2-n2nncc2C1 72136048 KWVYYQMYPPKBAR-UHFFFAOYSA-N 439.722 3.388 0 3 IGAF CC(C)[C@@H](N)C(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl 1854926 DKOINVRWSVIASA-LJQANCHMSA-N 436.339 3.287 0 1 IGAF COc1ccc([C@@H]2CC(=O)C[C@H](c3ccc(OC)cc3)C23C(=O)NC(=S)N=C3O)cc1 1860533 OANOGOKZZAEWTE-KDURUIRLSA-N 438.505 3.292 0 1 IGAF CNc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NCc1cccs1 3841007 HFZLLPZKSYXNBO-LUAASJNPSA-N 449.642 3.368 0 1 IGAF biogenic CCOC(=O)[C@@]12[C@H]3C=C[C@H](CC3)[C@]1(C(=O)c1ccccc1)C(=O)C(=O)N2c1ccccc1 5850055 JUMRKJSOTYPWAU-LLLVADJASA-N 429.472 3.370 0 1 IGAF O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCC(N2CCSCC2)CC1 12319046 IXOCGVCZKIJQAT-UHFFFAOYSA-N 438.553 3.455 0 1 IGAF COc1cc([C@@H]2Oc3ccc(C(=O)C[C@@H]4CCCN4)cc3O[C@@H]2[C@@H]2CCCN2)ccc1O 14514034 PIIRYYAPUZGQSP-AMIJONBRSA-N 438.524 3.359 0 1 IGAF biogenic Cc1nc(-c2ccco2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)CC(C)(C)CC(=O)O)n1 15672562 VHGHGVHONVATIK-KSZLIROESA-N 440.544 3.230 0 1 IGAF biogenic O=C(CC1CCNCC1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 27992988 DTCKFVVHXZOMKV-RUZDIDTESA-N 439.003 3.457 0 1 IGAF C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4ccc(F)cc4)CC3)cc2)CCN1 34850413 KSEDDRMAVJRIFE-IBGZPJMESA-N 425.548 3.232 0 1 IGAF CCc1nc(C(=O)N[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C(C)C)cs1 82070178 WBRHKMLPZJSWDW-NRFANRHFSA-N 428.602 3.241 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)NCc3ccccc3Cl)c(-c3ccccc3)n2)CC1 82133428 OQNZCWILQRJLFL-UHFFFAOYSA-N 449.942 3.396 0 1 IGAF CC(=O)N1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)CC1 82140705 MASUSEPAQDGDHL-IAGOWNOFSA-N 439.535 3.069 0 1 IGAF CCOc1cc(O[C@H]2CC[C@H](O)CC2)cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 100387291 DEGRHQBKZOASMX-LVCYWYKZSA-N 427.501 3.289 0 1 IGAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3c(Cl)cccc32)CC1 101500656 VSZCUBGVEGARJW-IYBDPMFKSA-N 425.982 3.298 0 1 IGAF COc1ccc(Cc2nc(C)nn2-c2cc([C@@H]3C[C@@H]3c3nnc(C)o3)nc(C)n2)cc1OC 141647359 WOWREEMJTBULMO-SJORKVTESA-N 447.499 3.245 0 1 IGAF CC(C)[C@@H](CO)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 148319180 WDCXWYXCNRUVKU-RTBURBONSA-N 429.471 3.096 0 1 IGAF CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)O 169367605 YEXQQQZDCCDPJD-RQSWOZRGSA-N 431.529 3.200 0 1 IGAF CC1(C)CN(c2ccc(Nc3ncc4c5ccncc5n([C@@H]5CCOC5)c4n3)nc2)CCN1 169706884 YQFRVSSFOVLVJG-QGZVFWFLSA-N 444.543 3.268 0 1 IGAF CN1C(=O)[C@@]2(N=C1N)c1cc(Br)ccc1OC21CCc2ccccc2CC1 201210471 WFVXQWPNKYISPR-NRFANRHFSA-N 426.314 3.141 0 1 IGAF COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(CNC(C)=O)cc3)C(C)C)[nH]c2cc1C 586932208 CESURWPFSPKZTN-NRFANRHFSA-N 444.557 3.192 0 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442.541 3.077 0 1 IGAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1S(N)(=O)=O 587839614 HUWMXTZQDFSVJJ-ADLMAVQZSA-N 427.339 3.342 0 1 IGAF COC(=O)[C@]1(CC(=O)c2cccn2C)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640352 OFBLTQLKWOCQCF-AMGIVPHBSA-N 443.547 3.413 0 1 IGAF Cc1cccc(F)c1CN1C[C@H](c2ccc(-c3cnn(CC(N)=O)c3)cc2)[C@@H](N(C)C)C1 1772602388 BHCIUNLNTMWBGM-VWNXMTODSA-N 435.547 3.013 0 1 IGAF NS(=O)(=O)c1cc(-c2csc(C(=O)Nc3cccc(C(=O)O)c3)n2)ccc1Cl 1772630729 NWEBEZNDCKMTAX-UHFFFAOYSA-N 437.886 3.061 0 1 IGAF COc1ccc2[nH]c(CCN(C)C(=O)[C@H]3CCC(=O)N(Cc4cccc(F)c4)C3)nc2c1 12433567 PRRWGYCFCXHGAW-KRWDZBQOSA-N 438.503 3.150 0 3 IGAF O=S(=O)(c1cccc2cnccc12)N1CCN[C@H](COCc2ccc(Cl)cc2)C1 14958061 GPAYCCGFPFKXED-IBGZPJMESA-N 431.945 3.068 0 1 IGAF O=C(O)CCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2CC2CCCC2)c1O 169711100 UMYKKVGCNVKVCL-UHFFFAOYSA-N 435.480 3.164 0 1 IGAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1 207161475 HRJWLVQPOCRWBC-UHFFFAOYSA-N 433.452 3.168 0 1 IGAF O=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3cc(C(F)(F)F)ccn3)CC2)N1 1857597609 KJFBBMMLWXJQBZ-MRXNPFEDSA-N 449.355 3.300 0 1 IGAF O=c1cc(-c2ccc3c(c2)O[C@H](CO)[C@@H](c2ccc(O)cc2)O3)oc2cc(O)cc(O)c12 14442048 QGMULYBZWIWTIF-ISKFKSNPSA-N 434.400 3.450 0 1 IGAF biogenic C[C@]1(CN)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1 27200189 OMBXENWTQGMRPK-LJQANCHMSA-N 427.398 3.368 0 1 IGAF COC(=O)c1cc2c(cc1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)N3CCOCC3)[C@@H]1C=C2 27524645 YUEGPBINYSBFAP-ZPZUNKDASA-N 441.524 3.210 0 1 IGAF CC[C@H](O[C@H](CO)Cc1cc(OC)c(O)c(OC)c1)[C@H](OC)c1ccc(O)c(OC)c1 71296927 RYIRLFCMHRNKFU-TXBYWVTISA-N 436.501 3.210 0 1 IGAF biogenic Cn1cnc(S(=O)(=O)N2c3ccccc3CC[C@H]2C(=O)Nc2cccc(Cl)c2)c1 95564231 BWLZWMAQNQUSKI-SFHVURJKSA-N 430.917 3.222 0 1 IGAF CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]1C 95679655 YXTUUNAVVDQDQI-JLHGSKIFSA-N 431.577 3.251 0 1 IGAF O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 95871574 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3.273 0 1 IGAF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2cc(-c3ccccc3)on2)[C@H]1NC(C)=O 1857615755 RCWTZISVEURZLT-MDNUFGMLSA-N 441.528 3.293 0 1 IGAF COc1cccc2nc(C[C@H]3CN(C(=O)COc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c12 2356316262 PJEPDLLPFKEQSN-SJORKVTESA-N 437.496 3.132 0 1 IGAF Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@H](COCc3ccccc3)C(C)C)CC2)cc1 8680218 UTIBYNUQEKAUDI-HSZRJFAPSA-N 444.597 3.459 0 3 IGAF CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)Cc2cccs2)cc1 61897442 NXDRGSUVBCTTLW-NRFANRHFSA-N 434.583 3.084 0 3 IGAF Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(CC(=O)NCc3ccccc3F)cc1CC2 8588921 DZEXVZXANQIJLI-UHFFFAOYSA-N 436.487 3.242 0 1 IGAF C[C@@H]1CN(C)C[C@@H](C)N1C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(F)cc21 13796173 NKHBDYWVSJQWHJ-HUUCEWRRSA-N 443.523 3.431 0 1 IGAF COC(=O)[C@H]1[C@H]2C[C@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2CC[C@H]1OC(C)=O 14589912 UEFILKPKYUBUOT-QYYYXKJPSA-N 426.513 3.227 0 1 IGAF biogenic CSCC[C@@H](NC(=O)[C@H](CSC(=O)c1ccccc1)Cc1ccccc1)C(N)=O 26501451 ZYVRYKRQCQNQFH-RBUKOAKNSA-N 430.595 3.142 0 1 IGAF O=S(=O)(Nc1ccccc1)c1ccc(CCNC[C@@H](O)COc2ccccc2)cc1 43022526 QNCUCYDBAFMEDO-OAQYLSRUSA-N 426.538 3.059 0 1 IGAF CC(C)(C)OC(=O)Oc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 72180965 LQUWMENAOKUEHB-UQRMEHQUSA-N 441.524 3.134 0 1 IGAF COc1ccc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)N3CC(F)(F)CN=C32)cc1 73294944 VTIOIFVOIUBNKP-HSZRJFAPSA-N 434.450 3.074 0 1 IGAF COc1cccc(CNC(=O)[C@H](NC(=O)c2coc(-c3cccs3)n2)C(C)C)c1OC 82082108 CSXZEUDGUFNSKW-GOSISDBHSA-N 443.525 3.491 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](CO)Cc1ccccc1 82209236 QKVSHBIJVMCUBX-KAZRRBDTSA-N 442.600 3.239 0 1 IGAF COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1 95899994 IOCKXHBSWWFCEO-DOSUHQCWSA-N 430.432 3.027 0 1 IGAF CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1 95901769 ALHQUDNRSCILRO-LHWDRQQYSA-N 445.560 3.052 0 1 IGAF N[C@@H](CC1=NC=NC1)C(=O)N1CCC[C@@H]1P(=O)(Oc1ccccc1)Oc1ccccc1 100617747 FDRSKSGQZBCDMT-SFTDATJTSA-N 440.440 3.486 0 1 IGAF O=C1/C=C/c2ccc(O)c(c2)Oc2ccc(cc2)/C=C/C(=O)NCCCNCCCCN1 100822349 QBKGCCSZLPZTIE-INOXDZRUSA-N 435.524 3.217 0 1 IGAF endogenous,in-man CN1[C@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@H]1CN(C(=O)c1ccccc1)C2 101248820 CANADVGNBXNBJF-SFTDATJTSA-N 432.568 3.481 0 1 IGAF COC(C)(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1 147700403 RHBIYVUWPQXJFC-KDURUIRLSA-N 431.577 3.027 0 1 IGAF CC1=C[C@@]2(/C(=C/NOCc3ccc(C)cc3)C(=O)O1)c1ccsc1CCN2C(N)=O 962713255 UBNVFMPCOZUUML-JMOSNPTESA-N 425.510 3.255 0 1 IGAF COc1c(C(=O)NCc2ccccc2)nc(Cc2ccccc2C(F)(F)F)n(C)c1=O 1857774140 GWURMLVCDXDUKE-UHFFFAOYSA-N 431.414 3.329 0 1 IGAF CC(=O)C[C@@H]1CC(=O)[C@H](O)CCC=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@@H](CC(C)C)NC(=O)[C@@]32C1=O 2356798968 TVCXNWRWOPBJLM-FWYPTFGPSA-N 443.584 3.180 0 1 IGAF Cc1cccc(N2CCN(C(=O)[C@@H](C)n3nc(C)n4c(cc5occc54)c3=O)CC2)c1C 8611167 ZVPHWYCMLIEDTD-QGZVFWFLSA-N 433.512 3.077 0 3 IGAF Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(CC(=O)NCc3cccc(F)c3)cc1CC2 8588925 HFRLPSJAYFFEOA-UHFFFAOYSA-N 436.487 3.242 0 1 IGAF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)C(=O)NS(=O)(=O)c1ccc(Cl)cc1 10450401 LVIBMRDBSXDLAU-NSHDSACASA-N 431.297 3.367 0 1 IGAF COc1ccccc1N1CCN(CCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1 13475450 YSCMWEZTXQBYPQ-UHFFFAOYSA-N 443.551 3.408 0 1 IGAF O=S(=O)(c1ccc(-c2cc(C(F)(F)F)no2)s1)N1CCN(c2ccccn2)CC1 20580957 QDJUOXFEDXXACL-UHFFFAOYSA-N 444.460 3.328 0 1 IGAF CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(Br)c1OC 26160354 JNFBCMWINGLNPB-VIFPVBQESA-N 436.144 3.140 0 1 IGAF C[C@H]1CCCCN1CCCNC(=O)c1ccc2c(=O)n(C3CCCCC3)c(=O)[nH]c2c1 28641511 CVIIPJUPHIOKNG-KRWDZBQOSA-N 426.561 3.189 0 1 IGAF CS(=O)(=O)Nc1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1 49125910 DRZIYEHEFJCBRL-UHFFFAOYSA-N 425.514 3.095 0 1 IGAF COc1cc2nc(N3CCN(c4ncccn4)CC3)nc(NCCC(C)C)c2cc1OC 82130168 WDYGONMLVQNGBR-UHFFFAOYSA-N 437.548 3.222 0 1 IGAF O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95661762 XFHPTNMTQHMBQH-SONWIMMPSA-N 430.479 3.304 0 1 IGAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccccc2)Oc2c(cccc2N(C)C)C1=O 95847485 GITVYJRSHAAVMX-MSYCTHLASA-N 425.573 3.105 0 1 IGAF CO[C@]12C=C[C@]3([C@H]4[C@H](O)C(C)(C)C[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 100576352 BANTYRLFVMBWRP-RDPVXMCHSA-N 449.591 3.410 0 1 IGAF CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CC[18F])c2cnc(-c3ccccc3)nc21 101623156 DCRSPOGUAKBGJJ-FNNGWQQSSA-N 432.490 3.278 0 1 IGAF NCC1(c2ccc(OC(F)(F)F)cc2)CCN(c2ncnc3c(C(N)=O)cccc23)CC1 114344122 MKCCGKRJQDSJGW-UHFFFAOYSA-N 445.445 3.124 0 1 IGAF C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CC[C@@H](CO)CN2 255262258 RFENQHCDYDELRG-ZTVLJAPWSA-N 445.644 3.230 0 1 IGAF COc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1O 299873862 AKRZDCPMJAQCKN-QDNNMPSSSA-N 437.540 3.273 0 1 IGAF O=S(=O)(c1ccc2nc(O)cc(-c3nc4ccc(Cl)cc4[nH]3)c2c1)N1CCOCC1 586956932 KSNXPKLBARULJX-UHFFFAOYSA-N 444.900 3.158 0 1 IGAF CN(C)S(=O)(=O)c1ccc2nc(-c3cnc(N)nc3-c3ccccc3Cl)[nH]c2c1 587060554 IUAJDROUCSPLQU-UHFFFAOYSA-N 428.905 3.173 0 1 IGAF Nc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2cn1 587172735 KSCPTTBWRPTLIN-ZDUSSCGKSA-N 447.518 3.314 0 1 IGAF CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2c(O)ncnc2[nH]1 587217515 DAQWGMCPKAOBAP-AWEZNQCLSA-N 427.461 3.148 0 1 IGAF COC(=O)C[C@@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 587396638 VBJRVKAINRJBQK-NPMXOYFQSA-N 432.517 3.491 0 1 IGAF CCOc1ccc(-c2nn(C(=O)c3ccc(O)nn3)c(=O)c3ccccc23)cc1OCC 587670411 XKYVTEFQFNIXBS-UHFFFAOYSA-N 432.436 3.045 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cn2cc(C(=O)O)nn2)(C(C)(C)C)N1 587759642 LQVMWJLCODSFGU-MGNBDDOMSA-N 425.302 3.354 0 1 IGAF Cc1cccnc1NC(=O)[C@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 618006823 YRSZGLPGSCRRDF-QGZVFWFLSA-N 439.522 3.053 0 1 IGAF CC(C)(C)OC(=O)N1CC=C[C@]2(C1)N[C@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962639242 UMGIIXTVIZZULW-HNAYVOBHSA-N 428.407 3.186 0 1 IGAF CCN1CC[C@@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)[C@@H](C(=O)OC)C1 962964307 ZUPNXUBDCCLPSS-DYESRHJHSA-N 426.479 3.067 0 1 IGAF CN1CCN(c2cccc(N/C=C3\C(=O)Nc4ccc(NC(=O)c5ccc[nH]5)cc43)c2)CC1 1772594060 GBEZKPRUXUADKT-PGMHBOJBSA-N 442.523 3.424 0 1 IGAF C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@]12Cc1c(O)cc3c(c1O2)C(=O)N(CCO)C3 2356643873 JPZJNLGSNUKQJO-LNAWQTCZSA-N 429.557 3.247 0 1 IGAF COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 61921785 IOCKXHBSWWFCEO-WELBPKCISA-N 430.432 3.027 0 3 IGAF COc1cccc(-c2cnc3c(NC(C)=O)cc(-c4cccc(C(=O)NCCO)c4)cn23)c1 61926725 NCCGKBMJMGJJPG-UHFFFAOYSA-N 444.491 3.357 0 3 IGAF COc1cccc(NC(=O)C2=COC3=NC(=O)N(Cc4cccc(Cl)c4)CCN23)c1 205219842 CHEOJVKPJPSSBF-UHFFFAOYSA-N 426.860 3.453 0 3 IGAF O=C(O)CN1C(=O)[C@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2)c2cc(Cl)ccc21 14976802 ABVCZPJCOYQLBK-FQEVSTJZSA-N 437.254 3.234 0 1 IGAF COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)Nc1nc2cc(C)cc(C)c2c(=O)o1 27548948 QHUXMXULJOQNHV-ROUUACIJSA-N 431.533 3.335 0 1 IGAF COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(OC)c2OC)c(OC)c1 28965786 MLDXLYMFHZYGSI-MDZDMXLPSA-N 438.498 3.324 0 1 IGAF CC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 36403573 JWMBFLXRBZIVNF-IBGZPJMESA-N 446.931 3.213 0 1 IGAF CC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ncc(-c4ccsc4)cn3)c2)[C@H](O)[C@@H](O)[C@@H]1O 64549071 FBXUVXMFIUMXAW-VOFPXKNKSA-N 446.956 3.382 0 1 IGAF O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccncc1)[C@H](c1ccccc1)CN2 82209790 STWLTZWDSVTUGX-NRFANRHFSA-N 431.540 3.460 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCCCC1)CC31CN(C(C)=O)C1 95795980 DNJMGAOWTMANIA-QFIPXVFZSA-N 425.573 3.216 0 1 IGAF COc1cccc(CNC(=O)c2nc3cccc(CN(C)Cc4ccccc4)c3c(=O)[nH]2)c1 149749415 WCUPVTFYSGYEFZ-UHFFFAOYSA-N 442.519 3.494 0 1 IGAF O=C(N[C@H]1CC[C@@H]2CN(S(=O)(=O)c3ccccn3)C[C@@H]21)c1ccc(Cl)cc1Cl 169313608 GEFIDYGSQOOKMX-PVUWLOKVSA-N 440.352 3.218 0 1 IGAF COc1c(OC(C)=O)cc2oc(-c3ccccc3)c(OC(C)=O)c(=O)c2c1OC(C)=O 238758581 ADZINHWASHEFFV-UHFFFAOYSA-N 426.377 3.245 0 1 IGAF CCCCOc1cc2nc(C3CCN(S(=O)(=O)NC)CC3)[nH]c2cc1Br 586954432 ICQKPLKXHGKLEE-UHFFFAOYSA-N 445.383 3.148 0 1 IGAF Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2C1=O 587564115 ZJCVQGDCYOXWRQ-MSOLQXFVSA-N 443.415 3.000 0 1 IGAF CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605249 BPSUQDNHLJEZRX-VLCIQMGPSA-N 443.521 3.207 0 1 IGAF COc1ccc([C@]2(COCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587798881 ZVKGCJVCHPSCJP-YUNKPMOVSA-N 438.293 3.476 0 1 IGAF CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)N[C@H](C)Cc1cc(Br)c(F)cc12 587800192 VVGUYGGLYSIBCR-PHDHYAMOSA-N 442.325 3.470 0 1 IGAF O=c1ccc2c(N3CCN(CCCCOc4ccn5nccc5c4)CC3)ccc(O)c2o1 1772644253 FSLWZIRTOUAUNP-UHFFFAOYSA-N 434.496 3.128 0 1 IGAF COc1ccc(C(=O)Nc2ccc(F)c([C@]34COC[C@@]3(F)C[C@](C)(F)C(=N)N4)c2)nc1 1857586558 KAFPMBZSTVDIGX-PCCBWWKXSA-N 434.418 3.114 0 1 IGAF CC(=O)O[C@@H](C)[C@H]1CC[C@@]2(O)[C@]3(O)C[C@H](OC(C)=O)[C@]45C[C@@H]4CC[C@]5(C)[C@H]3CC[C@]12C 2356429472 VVZPGBWASVYVEL-QVMSSCHESA-N 434.573 3.368 0 1 IGAF Cc1c(C(=O)[C@@H]2CS[C@@H](c3cccnc3)N2)c2ccccc2n1C(=O)N1CCOCC1 13737524 YJSCNSZVHGNBAU-AVRDEDQJSA-N 436.537 3.232 0 1 IGAF O=C1Nc2cccnc2N(C(=O)CN2CCN(Cc3ccccc3)CC2)c2ccccc21 22940148 RJGGRENGKYTGDC-UHFFFAOYSA-N 427.508 3.130 0 1 IGAF COc1ccc(-c2ccc(S(=O)(=O)N[C@@](C)(C(=O)O)C3CCC(O)CC3)cc2)cc1 27657938 RMJFXTVVOBTABN-RWWKDMOOSA-N 433.526 3.035 0 1 IGAF Cc1cc(C)c2c(c1)CO[P@@](=O)(OC[C@H]1CC[C@@H](n3cnc4c(N)ncnc43)O1)O2 29391689 KUVGHHLFOMVIIJ-PWUJBNGKSA-N 431.389 3.437 0 1 IGAF COc1cc([C@@H]2Oc3ccc(C(=O)C[C@@H]4CCCN4)cc3O[C@H]2[C@@H]2CCCN2)ccc1O 85916775 PIIRYYAPUZGQSP-WBYKHBECSA-N 438.524 3.359 0 1 IGAF biogenic O=C(NC[C@@H]1CC[C@H]2[C@H](CN2Cc2cc(-c3ccccc3)on2)O1)c1ccc2c(c1)OCO2 95795535 DTAAIQNCHKUQGI-SKPFHBQLSA-N 447.491 3.232 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Cc1ccccc1)CC31CCN(C)CC1 95865308 KZEHTMJYCOHTAQ-HSZRJFAPSA-N 447.579 3.269 0 1 IGAF O=C(c1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 95893610 KFNIYFGVMZMGLA-CUYJMHBOSA-N 430.479 3.384 0 1 IGAF CC(=O)Nc1ccc(NC(=O)CSc2nc3nncc-3c(O)n2-c2ccccc2)cc1 100617814 XOCLPIVIUDAAFD-UHFFFAOYSA-N 434.481 3.162 0 1 IGAF CS(=O)(=O)c1ccccc1Cc1c(=O)[nH]c(=O)[nH]c1[C@H]1CC[C@@H](c2ccccc2)CC1 101598455 JTYCHIGHPKQYMV-IYARVYRRSA-N 438.549 3.499 0 1 IGAF C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC[C@H](c2ccc(C(=O)N(C)C)cc2)C1 145172079 TWNQBWLGAFAMIT-APWZRJJASA-N 448.571 3.487 0 1 IGAF C[C@@H](CC(=O)NC(=O)c1coc(/C=C\CCCCCCCCC(=O)O)cc1=O)C(=O)O 211433182 OKGLROPOZIVCCZ-WWRUEGTHSA-N 435.473 3.226 0 1 IGAF C[C@@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1nc(-c2ccc(C#N)cc2)cs1 221664818 XRDCVBTVNWZCPZ-PBFPGSCMSA-N 436.497 3.351 0 1 IGAF CCCCOc1ccc2cc(S(=O)(=O)N[C@@H]3CC[C@@H](C(=O)O)C[C@H]3C(=O)O)ccc2c1 299811264 ZAJDNFYQKMWEGW-NSISKUIASA-N 449.525 3.251 0 1 IGAF CN1CCN(c2ccc(-c3nc(Cl)c4c(n3)N(CCCN3CCCC3)CC4)cc2)CC1 299823707 STJYNRMIXPPOHW-UHFFFAOYSA-N 441.023 3.397 0 1 IGAF NC(=O)[C@@H]1O[C@@H]1C(=O)Nc1ccc(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1 299857922 FTAUSXYITUEDBR-UXHICEINSA-N 435.411 3.062 0 1 IGAF C[C@@]1(c2cccc(S(=O)(=O)NCCC(=O)O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587532427 MVWQJQCQWLTRBJ-QHCPKHFHSA-N 443.521 3.199 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccnn2C)(c2ccnn2C)N1 587758765 JMGIMMXYXNRSDZ-FKIZINRSSA-N 446.324 3.106 0 1 IGAF CCOC(=O)C(C[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCC 587798020 NNJGFKMFQSVGGM-JEOXALJRSA-N 430.314 3.470 0 1 IGAF COc1ccc2c(c1)sc1nc(C(=O)NCc3cn(Cc4ccc(F)cc4)nn3)cn12 1772626110 BKCPJAWJELOSRS-UHFFFAOYSA-N 436.472 3.267 0 1 IGAF CCS(=O)(=O)N1CCC[C@H](c2csc(-c3ccccc3NC(=O)c3ncc[nH]3)n2)C1 1772647424 IRWZQZIBVWVBJR-AWEZNQCLSA-N 445.570 3.315 0 1 IGAF O=C(NCc1ccccc1)c1c(NCc2ccc(-c3ccccc3)cc2)nc(O)n(O)c1=O 1772657313 IMHINPBRVBDODH-UHFFFAOYSA-N 442.475 3.395 0 1 IGAF CNC(=O)c1nnc2ccc(-c3ccc(COC)nc3)cc2c1N[C@@H](C)C1CCOCC1 1857763225 WBVVHIRAJKMRLA-HNNXBMFYSA-N 435.528 3.425 0 1 IGAF O=C(NCC1CC1)c1onc(CSc2nc3ccccc3[nH]2)c1C(=O)NCC1CC1 15936617 USVHELBQHDASAM-UHFFFAOYSA-N 425.514 3.123 0 3 IGAF COC(=O)c1cc(OC)c(OC)cc1N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2108764 OWFUEAOQMKAXFR-XMMPIXPASA-N 449.463 3.212 0 1 IGAF biogenic CC(C)(C)NC(=O)c1ccccc1CC[C@@H](O)CN1CCCC[C@@H]1C(=O)NC(C)(C)C 5885564 NLIMJYNLARWQCI-TZIWHRDSSA-N 431.621 3.278 0 1 IGAF CC(C)(C)[C@H]1C(O)=C(C2=NS(=O)(=O)c3ccccc3N2)C(=O)N1Cc1ccccc1 5992953 WZZNOPQMGHCWKR-LJQANCHMSA-N 425.510 3.469 0 1 IGAF COc1ccc(-n2nnc(-c3nsc(NC(=O)c4cccs4)n3)c2C)cc1OC 8603086 CCPMNYVXQPISQB-UHFFFAOYSA-N 428.499 3.425 0 1 IGAF C[C@@H](O)CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358414 BDLDSSMAHRDDGB-VGOFRKELSA-N 427.497 3.428 0 1 IGAF CN(C)CCCn1cc(C2=C(n3ccc4ncccc43)C(=O)NC2=O)c2ccc(F)cc21 43119815 XZEICVLBXWDBAH-UHFFFAOYSA-N 431.471 3.107 0 1 IGAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)n1 72124575 AXMMFQYWZDPEFR-UHFFFAOYSA-N 437.891 3.297 0 1 IGAF O=S(=O)(c1cccc(F)c1)N1CC[C@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@H]21 95878259 OOJQCAHERCLTRS-QGTPRVQTSA-N 441.322 3.127 0 1 IGAF CCN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(N4CCC(O)CC4)cn3)ncc21 114232488 UJDYKWMGSWQRHC-UHFFFAOYSA-N 445.527 3.324 0 1 IGAF CN1CCN(c2nccn3c(-c4cccc(N[C@H](CCN)c5ccccc5)n4)cnc23)CC1 169701244 UHBHTJKIPQTSPJ-HXUWFJFHSA-N 442.571 3.045 0 1 IGAF C[C@@H](CN1CCC2(CC1)C(=O)NC[C@@H]2c1ccc(F)cc1)NC(=O)c1ccc(F)cc1 198374205 ZRRZCDIHCHFDRR-HRAATJIYSA-N 427.495 3.079 0 1 IGAF COC1CCN(C(=O)Nc2ccc(F)c([C@]3(C)C[C@@H](C(F)(F)F)OC(N)=N3)c2)CC1 218664128 VAIOWIBYRXKPBX-YJBOKZPZSA-N 432.418 3.350 0 1 IGAF COc1cc(C[C@@H]2[C@@H](Cc3ccc(OC)c(OC)c3OC)CO[C@H]2O)cc(OC)c1OC 238736320 WTGFIYMWSDIPGO-OBWXTZQISA-N 448.512 3.104 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NC[C@@H](O)CC 299876665 GCCKXHZULUTDDJ-POCHDABASA-N 426.513 3.463 0 1 IGAF C[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1)[C@@H](O)c1ccccc1 299883677 RTRJHCUKMFRIHX-STCFVSJZSA-N 448.519 3.318 0 1 IGAF COc1ccc(S(=O)(=O)Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)cc1 586919986 BMWWHPUJOPCVON-UHFFFAOYSA-N 425.260 3.006 0 1 IGAF Brc1c[nH]c2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc-2n1 586970327 WYRBXGHZKVCQHI-UHFFFAOYSA-N 433.247 3.138 0 1 IGAF CC(=O)N[C@@H](Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1)c1ccc(Br)cc1 586984464 FVSDHENCDXJJLV-INIZCTEOSA-N 436.331 3.149 0 1 IGAF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5cncc(N)c5)[nH]c4c3)cc2)CC1 587254403 OWRGLKWODCHEMG-UHFFFAOYSA-N 441.539 3.207 0 1 IGAF CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587799633 SYSSQPHHMQCWMN-SZEPBZDZSA-N 430.314 3.470 0 1 IGAF CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3c(N)cccc3s2)CC1 653807555 MYRISMVFJAYNRM-MRXNPFEDSA-N 440.602 3.248 0 1 IGAF COC(=O)c1cn2c3c(sc2n1)[C@]1(CCC3)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962728347 DVEYKRMPSMJJKZ-ZUOKHONESA-N 449.454 3.408 0 1 IGAF COc1cc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ccc1OC(C)=O 962976475 ZYCHNIARLYCSKD-JLTOFOAXSA-N 425.815 3.415 0 1 IGAF CNC[C@@H](NC(=O)c1ccc(-c2cc(F)c(Cl)c(F)c2)[nH]1)c1ncc(CO)s1 1772612148 PKJNTOBPRNCUHY-OAHLLOKOSA-N 426.876 3.253 0 1 IGAF COc1cc(N2CC(NC(=O)c3ccc4nc(C(F)(F)F)n(C)c4c3)C2)c(Cl)cn1 1911570449 IIOVZGPJOGMNRG-UHFFFAOYSA-N 439.825 3.268 0 1 IGAF CC(=O)OC[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 2356748448 GQZLXTLYIXYZIJ-RPWUZVMVSA-N 430.504 3.448 0 1 IGAF O=C([C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12)N1CCN(c2ccccn2)CC1 2466622 SIZDSIMGIITMOV-LOSJGSFVSA-N 438.531 3.267 0 1 IGAF O=S(=O)(c1cccc(N(Cc2c[nH]cn2)Cc2c[nH]cn2)c1)N1CCCc2ccccc21 3923966 ISXBYWANZZPSKD-UHFFFAOYSA-N 448.552 3.481 0 1 IGAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NC[C@@H](O)CC 4038969 KWZQDGGXLPRYLZ-HARLFGEKSA-N 425.529 3.130 0 1 IGAF Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccccc2O)n1 13529930 PFGIYBCUVNRZKQ-UHFFFAOYSA-N 448.504 3.453 0 1 IGAF COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O 28120490 KFVUSZPWUZBAPF-AGQYDFLVSA-N 434.485 3.058 0 1 IGAF in-vivo Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1 43203219 PPJCGPOASWRIPM-UHFFFAOYSA-N 443.573 3.234 0 1 IGAF CC(=O)N(C)c1ccc(-c2nc(N3CCOCC3)c3cnn(-c4ccccc4)c3n2)cc1 49072568 FGNWNPNHRQNBPI-UHFFFAOYSA-N 428.496 3.302 0 1 IGAF COc1ccc(C(F)(F)F)cc1NC(=O)NCCc1ccc2[nH]/c(=N/C(C)=O)[nH]c2c1 71318602 JZJLHAWLPFNXMY-UHFFFAOYSA-N 435.406 3.335 0 1 IGAF CCN1CCN(c2nc(NCCc3ccc(O)cc3)c3cc(OC)c(OC)cc3n2)CC1 82128816 IKPGQWDNIXDMDM-UHFFFAOYSA-N 437.544 3.149 0 1 IGAF COCCCc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)c1ccccc1)C3 82196067 BQPOZKRNRPIIFD-UHFFFAOYSA-N 448.445 3.064 0 1 IGAF O=C(Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H]1CCCC[C@H]1N2)C1CC1 82205944 BYNUYZUHZMQKJV-WOJBJXKFSA-N 430.508 3.469 0 1 IGAF C[C@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(C(=O)O)c1 84708917 ZWYVJWLNWNOOGH-AWEZNQCLSA-N 432.542 3.474 0 1 IGAF CCOC(=O)C(C(=O)OCC)c1cc(CN2C(=O)c3ccccc3C2=O)c2ccccc2n1 95872289 BQUSHNVLMASLEK-UHFFFAOYSA-N 446.459 3.241 0 1 IGAF CC(C)C(=O)N1CCC[C@H](c2cccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1 96168880 SPMFAAOODORGCL-KRWDZBQOSA-N 447.539 3.223 0 1 IGAF Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCC[C@@H](CNC(=O)c3ccc(C)cc3)C2)cc1 169340893 KSWFERVZRNXBSA-UPVQGACJSA-N 447.579 3.463 0 1 IGAF O=C(N1CCc2ccc(C(F)(F)F)cc2C1)[C@]12CCO[C@H]1C[C@H](NC1CCOCC1)C2 221264105 HBUDXPHYMVPJQY-ONTIZHBOSA-N 438.490 3.296 0 1 IGAF CC1(C)Cc2c(c(N3CCOCC3)nc(SCCc3ccccc3)c2C(N)=O)CO1 299871944 ZNQAKFYWFJXJQJ-UHFFFAOYSA-N 427.570 3.203 0 1 IGAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 586946021 FUKWPMVUDFNQPJ-NSHDSACASA-N 427.313 3.389 0 1 IGAF Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2c(O)cccc2C1=O 587564117 ZJCVQGDCYOXWRQ-ROUUACIJSA-N 443.415 3.000 0 1 IGAF O=C(O)CCC(=O)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570540 JEXQOWXQORAVQP-DHLKQENFSA-N 447.443 3.230 0 1 IGAF COCCN1C=C(C(=O)O)[C@]2(C=C1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587762158 XIJZOZSIPIBXLY-WYRIXSBYSA-N 425.298 3.152 0 1 IGAF CN(C[C@H]1Cc2c(cccc2N2CCN3CCC[C@@H]3C2)CN1)[C@H]1CCCc2cccnc21 1857752683 QQPRUHDPQBQAIQ-PLXFJCCSSA-N 431.628 3.390 0 1 IGAF O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccccc1)N(Cc1ccccc1)C(=O)N2Cc1ccccc1 1623754 BYXCBEDSXXQRPB-GOTSBHOMSA-N 425.488 3.431 0 1 IGAF Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)OCc4cc5ccccc5cc4O3)O2)c(=O)[nH]c1=O 3596705 QSRSOGPDZUJZCE-NVDIGUCNSA-N 442.364 3.186 0 1 IGAF O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 9211555 ZGLOWAKIKVYZHY-PXNSSMCTSA-N 439.537 3.221 0 1 IGAF COC(=O)[C@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1ccc(F)cc1)CCO2 11974381 QPASGHGWKRYROQ-OAQYLSRUSA-N 426.488 3.388 0 1 IGAF C[C@H](CCn1oc(=O)[nH]c1=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 13582108 GYIFKHHUMQDLGP-YVUDBTGTSA-N 448.604 3.146 0 1 IGAF C[C@H](Cc1ccccc1)Oc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-] 43015167 CEOYNBRFIOTZIW-GFCCVEGCSA-N 446.248 3.131 0 1 IGAF CC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](c1ccccc1)CN2 82210304 XZPNBUVARLKIMP-NRFANRHFSA-N 426.476 3.185 0 1 IGAF Cc1c(C(=O)CC(=O)C(=O)Nc2c(C(C)C)cccc2C(C)C)[n+]([O-])c2ccccc2[n+]1[O-] 102919489 ZXMYTRIECTZZHI-UHFFFAOYSA-N 449.507 3.442 0 1 IGAF COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1c[nH]c2ccccc12 169355238 QFWMWBPCPSLZSV-VEYWIMSWSA-N 447.535 3.390 0 1 IGAF CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 204960553 RHQSAUNMRLFPEE-UHFFFAOYSA-N 426.542 3.012 0 1 IGAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc(S(=O)(=O)N3CCOCC3)c2)N1 962943435 GXHKMYBTCSWABK-KOSHJBKYSA-N 439.581 3.377 0 1 IGAF O=C1c2nccc3c2C[C@H]1N[C@@]31CCOc2c(Br)cc(Br)cc21 963290433 VRKWXGNYNDNPHB-DYVFJYSZSA-N 436.103 3.343 0 1 IGAF C[C@@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]2CC[C@@H]2[C@@H]3CC[C@@H]3C[C@H](O)[C@H](O)C[C@@]32C)O[C@]12CC[C@@H](CO)CO2 2356350049 TYEISUDLPPCZRD-FOURCGGDSA-N 434.617 3.347 0 1 IGAF COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N(C)Cc3ccccc3)[C@H](O)[C@@H]2[C@@H]1C 2356412804 CBXMVEAJDLOTGF-LFHNPAKQSA-N 444.616 3.236 0 1 IGAF Cc1nonc1OCCNCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12 13636886 KVMPADATGKIMCM-UHFFFAOYSA-N 446.939 3.254 0 3 IGAF CC(=O)N1CCc2c1cccc2S(=O)(=O)N[C@@H](CC(C)C)C(=O)Nc1ccccc1C 201468314 HZQPLWLBHJFWQU-FQEVSTJZSA-N 443.569 3.236 0 3 IGAF O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2nc[nH]c3nc(O)nc2-3)CC1 13528823 ZMZNIVUUSYZKIG-UHFFFAOYSA-N 431.456 3.157 0 1 IGAF CCN1CCN([C@@H](c2cccc(F)c2)c2c(O)cc(C)n(Cc3ccco3)c2=O)CC1 21098234 SLAGVSRCRVOUJS-QHCPKHFHSA-N 425.504 3.370 0 1 IGAF aggregator O=C1NCCN1CCN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 26376998 MYVPKBWFYFYMBK-JTHBVZDNSA-N 426.511 3.184 0 1 IGAF O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1NCc1c[nH]cn1 28526894 ZQLPWMOMHXDEQE-UHFFFAOYSA-N 433.512 3.145 0 1 IGAF CONC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(-n3cnc4ccncc43)nc2n1C 28822403 VKQLWIKRVRNIRP-AWEZNQCLSA-N 442.483 3.167 0 1 IGAF COc1ccc2cc3[n+](cc2c1OCCCn1cc[n+](C)c1)CCc1cc2c(cc1-3)OCO2 40972781 MMSCJIMOLGRVCE-UHFFFAOYSA-N 445.519 3.183 0 1 IGAF CN1C(=N)N[C@@](c2ccc(OC(F)(F)F)cc2)(c2ccc(F)c(-c3cncnc3)c2)C1=O 43103532 RNJTYVPMRSKRKE-FQEVSTJZSA-N 445.376 3.421 0 1 IGAF CN(c1cc2ncc(=O)[nH]c2cc1NC(=S)NC(=O)c1ccco1)C1CCCCC1 72106206 GTOZYIAGZBQQNM-UHFFFAOYSA-N 425.514 3.412 0 1 IGAF O=C(N[C@@H]1CCCCNC1=O)c1ccc(CNC(=O)c2csc(-c3ccccc3)n2)cc1 82069711 HNYNREBRVHXALE-LJQANCHMSA-N 448.548 3.139 0 1 IGAF NCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1csc(-c2ccccc2)n1 82071499 HIFITXOIWBWCLR-IBGZPJMESA-N 441.578 3.344 0 1 IGAF O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](c1ccccc1)CN2)c1ccncc1 82210210 NCQGAYGFBFANDG-HXUWFJFHSA-N 445.523 3.253 0 1 IGAF Cc1n[nH]c2c(C)cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4C)cc12 96283380 DIVWBPDXMBOOBX-UHFFFAOYSA-N 448.571 3.434 0 1 IGAF CC(C)n1cc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)cc1C(=O)N1CCOCC1 114771976 YTWYTEJBKQVNEL-UHFFFAOYSA-N 439.516 3.038 0 1 IGAF COC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1[C@]21N=C(N)N(C[C@H]2CCO2)C1=O 146781755 BOGVCEHXIZOGEN-AXOKKOEUSA-N 437.584 3.302 0 1 IGAF CCc1cccc(NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)n1 148315207 WPRKCFUUXPAYSX-ACJLOTCBSA-N 438.463 3.109 0 1 IGAF Cc1ccc(C(=O)N2CC(c3ccc(C#N)cc3)C2)cc1-c1nc(C2(O)COC2)[nH]c1C 218952020 NEPYHFDUCWYODH-UHFFFAOYSA-N 428.492 3.023 0 1 IGAF Cc1cc(-c2noc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4[C@@H](C)O)n3)n2)ccc1Cl 221680902 CTNWFAVTVAQWHU-LALPHHSUSA-N 444.879 3.368 0 1 IGAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4nc(Cl)cnc4N)[nH]c3c2)cc1 587086018 BTRWMSGHGHAWTP-UHFFFAOYSA-N 430.877 3.065 0 1 IGAF COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2n1 587167495 ONMVQLUFVODOAL-UHFFFAOYSA-N 432.458 3.413 0 1 IGAF O=C(CCS(=O)(=O)c1ccc(F)cc1)c1c(CO)oc2cc(Br)cnc12 587276519 RLCHDJBAKCJMBK-UHFFFAOYSA-N 442.262 3.268 0 1 IGAF NS(=O)(=O)c1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl 587609917 WKWDKJDRNAVOBV-PXNSSMCTSA-N 431.853 3.396 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(COC(=O)C(C)(C)C)nn2)N1 587759954 NAZIESGBJYZFPC-HWPZZCPQSA-N 425.302 3.350 0 1 IGAF CC(C)Nc1ncc2c(n1)CN(C(=O)N[C@H](CCN)c1ccc(C(F)(F)F)cc1)CC2 1772653390 WVKHCAZURZXNHZ-QGZVFWFLSA-N 436.482 3.474 0 1 IGAF COc1cc(C=O)ccc1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 1857535225 SPXYSXPNEVBBRW-UHFFFAOYSA-N 435.436 3.254 0 1 IGAF O=C(Nc1ccccc1)Nc1ccc([C@H](O)[C@H]2COCC(=O)N2Cc2cccnc2)cc1 2356295968 ZDMZUOHNNZNESS-GGAORHGYSA-N 432.480 3.187 0 1 IGAF CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC[C@H](C)[C@]23Cc2c(cc(CO)c(C=O)c2O)O3)C(C)(C)[C@@H]1O 2356324742 UDNDJMKIAPVLNW-AOSAFVJRSA-N 446.540 3.146 0 1 IGAF C[C@@H](C[C@@H](O)CCCO)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356606518 SMEKHTLVUPIQOE-IBNVEZSQSA-N 438.649 3.107 0 1 IGAF CC(C)C[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 33360209 COFHEZKAONGFAP-GWCFXTLKSA-N 441.372 3.242 0 1 IGAF in-vitro COc1ccc(CNC(=O)N[C@@H]2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)cc1 45302213 HVCBCXSPANBHQW-LJQANCHMSA-N 436.491 3.446 0 1 IGAF Cc1ccc(C(=O)Nc2ccnn2C)cc1NC(=O)c1cnn(-c2ccccc2F)c1N 64560260 AZXHIHJZWAVGAC-UHFFFAOYSA-N 433.447 3.140 0 1 IGAF CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 82196768 AQNNGQUXQTZZPS-UVUJQTEASA-N 442.556 3.035 0 1 IGAF O=C(O)COc1cc(Cl)ccc1C(=O)NCc1ccc(I)cc1 96174856 UQSRSOSZBNAGEM-UHFFFAOYSA-N 445.640 3.338 0 1 IGAF in-vitro O=C(c1ccccc1C(=O)N1CCC(N2CCCC2)CC1)N1CCC(N2CCCC2)CC1 96284374 ISABJSIQAAPABZ-UHFFFAOYSA-N 438.616 3.087 0 1 IGAF O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(NC2CCOCC2)nc1C1CCCC1 101585367 WTLFXXIUVHGLEH-IPUQRSMBSA-N 440.588 3.395 0 1 IGAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\[C@@H]3O[C@@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 101708894 MSHYYZSYRGWFES-FLEVLNCLSA-N 437.558 3.071 0 1 IGAF O=C(O)c1cc(OCCCCSc2nc(-c3ccccc3)cc(=O)[nH]2)cc(C(=O)O)n1 169327754 AVBUTSCMGJOANU-UHFFFAOYSA-N 441.465 3.180 0 1 IGAF Cn1cc(C(=O)c2cncc(NC(=O)Cc3c(F)cc(F)cc3F)c2)c2cncnc21 169707722 BABZUKOYVGYBNG-UHFFFAOYSA-N 425.370 3.193 0 1 IGAF COCCn1cc(-c2ccc3[nH]nc(-c4cc(N5C[C@H](C)O[C@H](C)C5)ncn4)c3c2)cn1 225567177 ZLEISHIGIMDCSK-IYBDPMFKSA-N 433.516 3.143 0 1 IGAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc(Cl)c2[nH]1 586960433 WVKFJBLLSGMRKK-HNNXBMFYSA-N 430.711 3.448 0 1 IGAF O=C(O)Cn1cc(I)c(-c2nc3c(Cl)cc(Cl)cc3[nH]2)n1 587185673 MNZKCYCDAMGTSO-UHFFFAOYSA-N 437.024 3.422 0 1 IGAF O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583879 VMXLWVQOXSZMPZ-NXQMDHLFSA-N 431.444 3.309 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(N2CCOCC2)cc1 587869303 GBRKEBYWYGJFMT-UHFFFAOYSA-N 432.402 3.498 0 1 IGAF C[C@@H](Nc1ncnc2ccc(NC(=O)NCCN3CCN(C)CC3)cc12)c1ccccc1 653780829 XCAQPNMNIRYZIM-GOSISDBHSA-N 433.560 3.172 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2cccnc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962719228 SUCXPVQZOJHOLI-UZUQRXQVSA-N 428.529 3.350 0 1 IGAF C[C@@]1(c2cccc(N3C(=O)c4ccccc4C3=O)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962908063 TWPBGTNZHXFGAH-OFVILXPXSA-N 430.435 3.489 0 1 IGAF CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@@H]1c1ccc(Cl)cc1Cl 1857583104 NGYGCHRHGPTEAF-QGZVFWFLSA-N 428.297 3.273 0 1 IGAF CCOC(=O)c1cccc(NC(=O)N2CC[C@H](CC(=O)N3CCC(O)CC3)[C@H](CC)C2)c1 2356865698 WDAFHNLBISNMAH-QZTJIDSGSA-N 445.560 3.117 0 1 IGAF COc1ccccc1S(=O)(=O)NCc1ccc(C(=O)N[C@H](C)c2ccccn2)cc1 9717049 BIWLSWLSEVGBCM-MRXNPFEDSA-N 425.510 3.060 0 3 IGAF COCCN1CC(=O)N2C[C@H](c3ccc(Cl)cc3)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2136389 KFICLMJTHWPZFY-HOYKHHGWSA-N 437.927 3.499 0 1 IGAF biogenic NCCC[C@@]1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCOCC1 36184689 VZEKPRMFWVRUJY-QHCPKHFHSA-N 428.483 3.461 0 1 IGAF C[C@]1(CO)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H](O)O[C@@H](C3=CC(=O)O[C@@H]3O)C[C@H]21 40954045 ILNQYSBBUXQHRX-KKLROVHHSA-N 434.573 3.143 0 1 IGAF O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 95893571 XKMDMBLXMIZAOP-BHDDXSALSA-N 432.455 3.242 0 1 IGAF COC(=O)[C@@H]1C[C@]23CCCN4CC[C@@]5(c6cccc(OC)c6N(C(=O)OC)[C@]15CC2)[C@@H]43 102204019 SBFBQBJIFGCIHE-DWXXDAGRSA-N 426.513 3.099 0 1 IGAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)C(C)C)c1C 103230637 GMXFOTZYULOWKE-PIIMJCKOSA-N 432.546 3.393 0 1 IGAF COC[C@H](O)CN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1 204150065 IVVNCQGZOKJKEC-LJQANCHMSA-N 449.511 3.193 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(OC[C@H]4CC4(F)F)ncn3)C2)cc1 261112073 IFFRGVJMYNHAID-POZUXBRTSA-N 432.471 3.365 0 1 IGAF CC(=O)NCc1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1 299859011 VHQHVAVQTHELIQ-OAQYLSRUSA-N 433.512 3.240 0 1 IGAF Cc1ccc(-c2nnc(SC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)[nH]2)cc1 299868568 RUHKOZDSZUGPIZ-FQEVSTJZSA-N 428.468 3.330 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](CO)CC(C)C 299885796 WBGCHXONIGVKOA-AUGZDFPUSA-N 430.589 3.095 0 1 IGAF N[C@@H](N=O)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 586942153 BKZCGTMOWJPBEE-INIZCTEOSA-N 428.301 3.114 0 1 IGAF Nc1nccc2nc([C@H](CC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)[nH]c12 587204228 WNRJVYVRDBDXEQ-IBGZPJMESA-N 445.479 3.641 0 1 IGAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(S(N)(=O)=O)cc1)CC2=O 587483750 FXAXGZHVJNUGHZ-NRFANRHFSA-N 426.494 3.489 0 1 IGAF Cn1c(SCCCN2C[C@H]3CCN(c4cccc(F)c4)[C@H]3C2)nnc1-c1cnccn1 653728122 UDUUCGMSUBUXNS-UZLBHIALSA-N 439.564 3.104 0 1 IGAF CCOC(=O)CC[C@@]1(c2ccccc2OC(C)=O)NC[C@H]2CC(=O)N(C)c3cccc1c32 963015990 BSEUYWWSYZXKJL-NSYGIPOTSA-N 436.508 3.252 0 1 IGAF Nc1ccc(N)c2c1C(=O)c1c(N)ccc(N)c1C21c2c(F)cccc2C[C@H]2CCCN21 963100641 IPSQXNTVUFSSQB-CYBMUJFWSA-N 429.499 3.011 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3c(Cl)sc(Cl)c3Cl)N2C(=O)[C@@H]2CCCN12 963216528 DJJQHPRRTMWCOU-UBJUHAIHSA-N 431.732 3.279 0 1 IGAF Cc1sc(CCNCCc2nc3ccccc3[nH]2)nc1C(=O)NCc1ncccc1F 1857542709 WDMDNSINMNWPRB-UHFFFAOYSA-N 438.532 3.167 0 1 IGAF Nc1ncnc2c1c(-c1ccc3c(c1)OCO3)cn2[C@H]1CCN(C(=O)c2ccccc2)C1 1857570646 NRIYAKNKHHWFMI-KRWDZBQOSA-N 427.464 3.496 0 1 IGAF CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1Cl 95569803 DANYLUIZWSMRND-QZTJIDSGSA-N 435.952 3.347 0 3 IGAF COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CC=CCC2)C1 3800875 NKZSMSGDVPNCJH-MRXNPFEDSA-N 426.344 3.077 0 1 IGAF COC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1[C@H](NC(=O)OCc1ccccc1)c1ccccc1 8020425 QIKOKVRSHHNPQV-MYGLTJDJSA-N 436.508 3.454 0 1 IGAF Cc1ccccc1CNC(=O)Cn1cc2c(n1)-c1c(oc(C(=O)N3CCCC3)c1C)CC2 8588919 XMNOYJSENADXTG-UHFFFAOYSA-N 432.524 3.411 0 1 IGAF Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)OCc4cccc(C(C)(C)C)c4O3)O2)c(=O)[nH]c1=O 13561153 UFZMRGCCVPDARB-CKVARHJQSA-N 448.412 3.330 0 1 IGAF C[C@@H](CN1CCN(C[C@H](c2ccccc2)N2CCN(C)CC2)CC1)C(=O)c1ccccc1 22927893 NRCDDSSITXKKIP-JYFHCDHNSA-N 434.628 3.112 0 1 IGAF C[C@]12C[C@@]34CCC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@H](C[C@@H]1C4)O2 35050252 XADCWKSMHQPTGH-OFBLZTNGSA-N 443.496 3.458 0 1 IGAF in-vivo CC(=O)NC1(c2ccccc2)CCN(C2CCN(C(=O)c3c(C)ccnc3C)CC2)CC1 40892405 CAQMFKINXGNGJP-UHFFFAOYSA-N 434.584 3.430 0 1 IGAF OCCN1CCN(CCCN2c3ccccc3S[C@H]3C=CC(C(F)(F)F)=C[C@@H]32)CC1 43123241 FJTKBSUCKQKZQT-FPOVZHCZSA-N 439.547 3.394 0 1 IGAF CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H]1C 95679627 LZLCXSINECTMIX-GSHUGGBRSA-N 431.577 3.251 0 1 IGAF O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 95871457 MBZDDLDSEITRDD-SONWIMMPSA-N 448.469 3.443 0 1 IGAF CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@H]21 95892777 HJRBVKTVNLVVPO-YVWKXTFCSA-N 439.468 3.186 0 1 IGAF COCC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(C(=O)OC)cc2)CC1 96318652 WYYHNVBQKJKEOX-UHFFFAOYSA-N 447.535 3.273 0 1 IGAF C[C@@H]1CN(C(=O)Nc2cnc3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nn23)CCN1 118237281 VWCONLJBMSCZJJ-RDTXWAMCSA-N 441.486 3.175 0 1 IGAF NCCCCCNC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)Nc1ccc(Br)cc1)C21CC1 168399183 PYKQFMTWCSFAKN-WJFTUGDTSA-N 446.389 3.461 0 1 IGAF C[C@H]1N[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]12 169293289 ZKLSTLYBTHUDFT-FZKJKZQRSA-N 437.499 3.226 0 1 IGAF O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 169687830 SYTAHICZQJWNGK-WFFHOREQSA-N 434.399 3.121 0 1 IGAF CN1[C@H]2CC[C@H]1[C@H](C(=O)N1CCCO1)[C@@H](c1ccc(I)cc1)C2 261156980 QCUDYJXEEDCQAN-VVLHAWIVSA-N 426.298 3.021 0 1 IGAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239657 MRUSFASQUKBSQD-JKXTWKSPSA-N 439.520 3.094 0 1 IGAF C/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21)NNC(N)=S 587703359 GNJUKHCXKKTRKN-XWVJOGQJSA-N 441.292 3.122 0 1 IGAF CCN1C=C(C(=O)O)[C@@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c2cc(OC)ccc21 962732098 WSGOZGCWSNPCBD-GCJKJVERSA-N 446.425 3.393 0 1 IGAF Oc1nc(N2CCOCC2)nc(NCCN2CCCCC2)c1-c1nc2ccccc2s1 1772631135 FQIBNJCAGYZTIG-UHFFFAOYSA-N 440.573 3.193 0 1 IGAF O=C(NCc1ncccc1F)c1csc(CCN2CCn3c(nc4ccccc43)C2)n1 1857608269 CPGXYLDRGHMZFL-UHFFFAOYSA-N 436.516 3.015 0 1 IGAF C[C@@H](O)CN=c1nc2c(ncn2[C@@H]2CCCCO2)c(Nc2ccc(Br)cc2)[nH]1 1857640064 OKHJRHFBOMASNR-DOMZBBRYSA-N 447.337 3.246 0 1 IGAF CC(C)=C[C@@H]1O[C@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@]3(O)[C@H](C)CC[C@@H]3[C@@H](C)[C@]12O 2356406342 UFFWLVBPDWIHBR-ZUQJXQDPSA-N 432.557 3.105 0 1 IGAF CSCC(=O)N[C@@H]1CCN2C(=O)c3cc(C=Cc4ccccc4)ccc3NC(=O)[C@@H]2C1 2356821852 GFJHVBMVJUSHAZ-NQIIRXRSSA-N 435.549 3.262 0 1 IGAF C[C@@H]1Sc2ccc(S(=O)(=O)NC3CCN(Cc4ccccc4)CC3)cc2NC1=O 9439568 IXRFZBVRHAKNCZ-HNNXBMFYSA-N 431.583 3.062 0 1 IGAF Cc1cn([C@H]2C=C[C@H](CO[P@]3(=O)Oc4cccc(Cl)c4[C@H](C)O3)O2)c(=O)[nH]c1=O 26731837 VNNRNHSLBICHPY-IJHNJLDSSA-N 440.776 3.247 0 1 IGAF COc1cc(NC(=O)c2cn(C(=O)CCC(=O)O)c3ccccc23)cc(OC)c1OC 45287329 UHSAYXAMMXIGHJ-UHFFFAOYSA-N 426.425 3.424 0 1 IGAF CC1=C(C(=O)N2CCC[C@H]2c2nnn[nH]2)[C@@H](c2ccc(Cl)c(Cl)c2)n2nccc2N1 45385322 YUPMSPVJMXWUAW-WMLDXEAASA-N 445.314 3.356 0 1 IGAF Cn1cnc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C(=O)Nc2cccc(Cl)c2)c1 95564230 BWLZWMAQNQUSKI-GOSISDBHSA-N 430.917 3.222 0 1 IGAF COCC(=O)Nc1cc(C(=O)N2C[C@H]3CC[C@H]2C3)c2c(c1)ncn2Cc1ccc(F)cc1 102685876 UIKQTFHMPHRGPA-LPHOPBHVSA-N 436.487 3.433 0 1 IGAF COc1ccc([C@H]2CN=C3C(=O)c4c(ccn4S(=O)(=O)c4ccc(C)cc4)C(=O)[C@@H]32)cc1 169729573 LBBIQLKPFYBHQT-WOJBJXKFSA-N 448.500 3.276 0 1 IGAF Cn1c(=O)c(S(=O)(=O)c2ccc(O)cc2)cc2cnc(Nc3ccc4[nH]ccc4c3)nc21 198725367 FCPZOGCMAQOPBZ-UHFFFAOYSA-N 447.476 3.092 0 1 IGAF CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 261099829 GBZSJPUHVOXXGF-VVOJOOEHSA-N 436.574 3.373 0 1 IGAF C[C@H](NC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1)c1ccc(F)cc1 299883083 QUAZJFGMPMQHOE-AMHTUMDSSA-N 448.498 3.293 0 1 IGAF 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Cc1noc(-c2cc3cc(-c4[nH]c(C(=O)NCc5ccnc(N)c5)nc4C)ccc3[nH]2)n1 115832457 OPWZHRGHDVTLOM-UHFFFAOYSA-N 428.456 3.132 0 1 IGAF COc1cc(C2CC2)ccc1-c1nccc2c1CCN(S(=O)(=O)Nc1ncns1)C2 147367792 ZNNMREUPBBMXRK-UHFFFAOYSA-N 443.554 3.201 0 1 IGAF C[C@@H]1CN[C@@H]([C@@H](C)[C@H]2[C@H](O)C[C@@H]3[C@@H]4CC[C@@H]5C(=O)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)[C@H](O)C1 255259925 PTLHVDMORFDUBF-AMDJQESESA-N 447.660 3.151 0 1 IGAF COc1ccc2nccc(NC(=O)[C@H]3CC[C@H](NCc4cc5c(cn4)OCCO5)CC3)c2n1 261109785 HVWFFJFLJLATFZ-WKILWMFISA-N 449.511 3.092 0 1 IGAF CS(=O)(=O)c1ccc2nc(C[C@@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587004806 YPIVWIVHAVOOHZ-SNVBAGLBSA-N 435.299 3.364 0 1 IGAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 587204890 UKTOUBZASXJXHO-LLVKDONJSA-N 435.244 3.423 0 1 IGAF CCOC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)CC(=O)c2cc(C)cc(N)c2O1 587399568 LQLUFTCEOSZSMW-HSZRJFAPSA-N 429.469 3.417 0 1 IGAF COC(=O)C1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC(OC)(OC)C1 587811104 MREKJDSEHZUCCH-DIFFPNOSSA-N 430.314 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COC(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1 20215846 VFBFEBMDXNQRDV-UHFFFAOYSA-N 429.454 3.131 0 1 IGAF NC[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H]1c1ccco1 27418470 LASMISRBDAATFV-FZMZJTMJSA-N 429.423 3.085 0 1 IGAF CCc1n[nH]c2ncnc(N3CCN(c4cc(Cl)cc(OCCN(C)C)c4C)CC3)c12 84634030 VEMYRWOPVSXONW-UHFFFAOYSA-N 443.983 3.144 0 1 IGAF O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1C1CCCC1 95572723 VMTZDIHMLVWUQZ-OGGNLIIYSA-N 426.561 3.004 0 1 IGAF O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 95795301 FCIZOZRMZMLHQR-XFAFFCHDSA-N 444.506 3.233 0 1 IGAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(=O)c3cccnc3)CC2)n1 142172859 PNIWDWJMNJTLSC-QFBILLFUSA-N 438.532 3.206 0 1 IGAF CN1C(N)=N[C@](C)(c2sc(-c3ncc(-c4ccccc4)[nH]3)cc2Cl)CS1(=O)=O 208980888 IGEQDOHPCMVRGI-SFHVURJKSA-N 435.962 3.264 0 1 IGAF COc1cc(C[C@H](COC(C)=O)c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 238766916 LMPYFOIPMHSEQD-LJQANCHMSA-N 430.453 3.444 0 1 IGAF C[C@@H]1[C@@H](NS(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)CCC[C@H]1C 248136128 CRQWDUKRSXCEAN-GUXCAODWSA-N 441.553 3.023 0 1 IGAF CCOC(=O)c1cc(C(=O)c2cc(OC)c(OC)c(OC)c2)n2ccc(N(C)C)cc12 299828648 RDPWMJCZHPCYCY-UHFFFAOYSA-N 426.469 3.439 0 1 IGAF CNS(=O)(=O)c1cc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)n(C)c1 586947291 LGZLYEOAWIPNOG-UHFFFAOYSA-N 437.241 3.258 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS(=O)(=O)N(C)c3ccccc32)N1 587844041 LPRAMEAZYNMBFS-ZMZPIMSZSA-N 425.323 3.146 0 1 IGAF COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cc(Cl)cc(Br)c1 587939985 HTKILVIVFJRIHO-UHFFFAOYSA-N 432.654 3.165 0 1 IGAF CS(=O)(=O)c1ccc2c(c1)c1c(n2S(=O)(=O)c2ccc(Cl)cc2)CCCC1=O 1857744740 NYNZAMINEWHYNQ-UHFFFAOYSA-N 437.926 3.454 0 1 IGAF C[C@@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]2CC[C@@H]2[C@@H]3CC[C@@H]3C[C@H](O)[C@H](O)C[C@@]32C)O[C@]12CC[C@H](CO)CO2 2356350051 TYEISUDLPPCZRD-KEYPKTCQSA-N 434.617 3.347 0 1 IGAF O=C(NCc1ccccc1)c1cc([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1 61929001 CCKROEYKODJIIN-INIZCTEOSA-N 431.539 3.234 0 3 IGAF COc1ccc(C(=O)N[C@@H]2CCCN(CCCOc3ccc4c(c3)OCO4)C2)cc1OC 13558916 ZHSUNHFEAUHWFP-GOSISDBHSA-N 442.512 3.096 0 1 IGAF COc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(NC(=O)NC(C)C)c2=O)cc1 25423245 JKJBVFZWGYZLCG-CVEARBPZSA-N 439.516 3.038 0 1 IGAF biogenic CC(C)[C@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N[C@H]1CCCCNC1=O 82082031 WJVKFDBBQJKVSU-RDJZCZTQSA-N 448.976 3.003 0 1 IGAF CC(=O)N1CCN(C(=O)c2cnc(NCc3ccccc3)nc2-c2cccc(C)c2)CC1 82216845 MYHZUMFKXOZFRB-UHFFFAOYSA-N 429.524 3.368 0 1 IGAF O=C(c1ccccc1F)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO 95871572 SVZWZQFMECBXMQ-GIFXNVAJSA-N 448.469 3.443 0 1 IGAF C[C@H]1CN(c2ccncc2CC(=O)c2ccc(F)c(C3CCCCC3)n2)C[C@@H](N)[C@@H]1O 96177659 AJAGXFPNCIILQO-OFJJYEOVSA-N 426.536 3.233 0 1 IGAF Cc1ccc(Cn2cc(CSC(=S)N3CCN(C(=O)OC(C)C)CC3)nn2)cc1 96285718 SLZQTABPQSVMEP-UHFFFAOYSA-N 433.603 3.316 0 1 IGAF Cc1cnc(CNc2cc(OC[C@H]3C[C@@H]3c3nn(C)c4ccccc34)nn(C)c2=O)s1 217643347 ZCOFNMPESMAKIZ-ZBFHGGJFSA-N 436.541 3.227 0 1 IGAF COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)c2c(N)nc3ccccn23)cc1OC 299871175 XZACRLYCNVPXCU-SFHVURJKSA-N 444.491 3.158 0 1 IGAF C=CC(=O)Nc1cccc(CN=c2[nH]c(Nc3cnn(CCOCC)c3)ncc2Cl)c1 473108003 KWKDNNIHHPRNPB-UHFFFAOYSA-N 441.923 3.265 0 1 IGAF CNS(=O)(=O)N1CCC(c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)CC1 586954757 OQMNXZQRXDILCS-UHFFFAOYSA-N 445.383 3.004 0 1 IGAF O=S(=O)(NCc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1ccc(F)c(F)c1F 587133798 AJSHXDULEIWENJ-UHFFFAOYSA-N 425.310 3.357 0 1 IGAF CN1CC[C@]2(CCN(c3ncc(-c4ccc5c(N=c6cncc[nH]6)ccnc5c4)cn3)C2)C1 1857582552 VOKBFPYJGFPGFD-VWLOTQADSA-N 438.539 3.179 0 1 IGAF Cc1cc(OCc2cccnc2)c(C)c2c1CC[C@H]([C@H](C)C(=O)N1CCN(C)CC1)[C@@H]2O 2356731174 DZFGLQMZNYWQDW-FKRCVWNDSA-N 437.584 3.283 0 1 IGAF COc1ccc2c(c1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)[C@@H]2CC(=O)O 13601251 FBHMTMQCCJIXDA-OAHLLOKOSA-N 436.233 3.338 0 1 IGAF O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H]1CCCC[C@H]1N2)c1ccccc1 82206053 YZAKSMURTKQPIK-RTBURBONSA-N 434.471 3.359 0 1 IGAF 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587169794 AHGKCRGPPOFCKK-UHFFFAOYSA-N 426.429 3.351 0 1 IGAF Nc1ccc(-c2ccc3nc(-c4nccnc4I)[nH]c3c2)cc1N 587186378 JVNJSWUEZPJCDC-UHFFFAOYSA-N 428.237 3.456 0 1 IGAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(Br)c(F)c2[nH]1 587227830 ZTOPPAFVSJQCCW-UHFFFAOYSA-N 435.253 3.007 0 1 IGAF COc1cc2c3c(c1)O[C@@](C)(c1cc4c(cc1Br)NC(=O)CO4)[C@@H](C2)C3=O 587420564 XVVXQQJIQUYMON-YUNKPMOVSA-N 430.254 3.451 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c(C(=O)N3CCC[C@H](CO)C3)c1)CC2=O 587480620 DRZCLGRUNYOKPL-IZHWHUGBSA-N 426.513 3.398 0 1 IGAF CCOC(=O)c1cnn2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cnc12 587589967 YYRRNGQWPDAGTL-WIYYLYMNSA-N 431.404 3.315 0 1 IGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1ccc(-n2cnnn2)cc1 587863557 NHWQKJKEZNARBB-UHFFFAOYSA-N 428.374 3.436 0 1 IGAF CCN1C(=O)C(=O)N[C@@H]2C[C@@H](C(=O)Oc3ccc4ccccc4c3Br)CC[C@@H]21 618015857 GQKPIMKYFDIJFR-IMJJTQAJSA-N 445.313 3.023 0 1 IGAF CCOC(=O)[C@@H](C)[C@]1(CC(C)=O)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962927977 QJIFJOSSUNKQKM-SJODRWRQSA-N 441.480 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O=C(NC1CCN(Cc2ccc3c(c2)OCCO3)CC1)c1cc(=O)c2ccc(F)cc2o1 36126726 UDROTHQORZMMBF-UHFFFAOYSA-N 438.455 3.098 0 1 IGAF CC(=O)OC[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 43070660 DDNABHAQYYBVSZ-VXKWHMMOSA-N 440.540 3.413 0 1 IGAF COc1ccc(C(=O)C(=O)N(C)C)cc1C(=O)N1CCC(Cc2ccc(F)cc2)CC1 45340106 SHQCBIKUCPXMJJ-UHFFFAOYSA-N 426.488 3.200 0 1 IGAF COc1cccc(CNC(=O)c2c(O)[nH]c3cc(Cc4ccc(F)cc4)cnc3c2=O)c1 73196280 CBSXIVIKLPREOK-UHFFFAOYSA-N 433.439 3.297 0 1 IGAF CCc1nc(C(=O)N[C@@H](CCCCNC(=O)OCc2ccccc2)C(=O)OC)cs1 82072588 MHPOQSOAHPSYCO-INIZCTEOSA-N 433.530 3.074 0 1 IGAF CCn1cc(-c2nc3ncc(Cl)c(N4CCN(Cc5cc(C)on5)CC4)c3[nH]2)cn1 95558408 YFCKHDARMWUHOO-UHFFFAOYSA-N 426.912 3.113 0 1 IGAF O=C(C[C@@H]1CC[C@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 95665178 BUXNMIFPDSBWFP-HJOGWXRNSA-N 445.519 3.416 0 1 IGAF CCCNC(=S)NS(=O)(=O)c1ccc(N2N=C(c3ccc(C)cc3)CCC2=O)cc1 103168321 BMRRQJGUJSIKEK-UHFFFAOYSA-N 444.582 3.089 0 1 IGAF Cc1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cn1 116880556 UNPARBQWWULNRE-GRGXKFILSA-N 449.599 3.221 0 1 IGAF CC(=O)N[C@@H](C(=O)N(C)[C@H](CC(C)C)C(=O)N/C=C\c1c[nH]c2ccccc12)C(C)C 139173381 IODNETMCEHQSGF-COZHZMBOSA-N 426.561 3.289 0 1 IGAF O=C(Nc1ccc(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1)N1Cc2ccccc2C1 166189641 BNYPQMPAKOCIPX-IBGZPJMESA-N 434.540 3.029 0 1 IGAF CO[C@@H]1/C=C\C=C/C=C\C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O[C@@H](C[C@@H](C)O)C1 169293523 SZPWNRYGTQYOLD-LUYSPOIZSA-N 432.557 3.317 0 1 IGAF CN1CCN(CC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3s2)CC1 169311807 CMSLFXNOYRDYOF-UHFFFAOYSA-N 434.928 3.413 0 1 IGAF CC(C)(O)CCn1c(Cn2nc(S(C)(=O)=O)c3ccncc32)nc2cc(Cl)ccc21 206805624 ONOKYKSBUJAQHT-UHFFFAOYSA-N 447.948 3.047 0 1 IGAF CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@H](C)CN(C)C)c1 299887918 ZQEKITPVVFZXOA-UWSIMGETSA-N 438.572 3.309 0 1 IGAF CNS(=O)(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587842685 WLFMJVUCZIOIQD-BBATYDOGSA-N 427.339 3.294 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1SCC2(CO)CO 587853539 AEQUGHKEZNPTPO-YUNKPMOVSA-N 438.362 3.443 0 1 IGAF COc1ccccc1N1CCN(c2ncnc3c2cnn3-c2cc(F)ccc2OC)CC1 653723556 SPRLNKQKOJIGIN-UHFFFAOYSA-N 434.475 3.298 0 1 IGAF Cc1onc(C(=O)O)c1COc1cccc([C@@H]2NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963015528 BOYWNVKOGGJEGD-NYHFZMIOSA-N 433.464 3.403 0 1 IGAF CC(C)(O)c1cccc(-c2nc3nc(N4CCC[C@@H](C(=O)N5CCCC5)C4)ccc3[nH]2)n1 1772606543 NVKQJZBRAFXYAU-MRXNPFEDSA-N 434.544 3.086 0 1 IGAF COc1ccc(OC2CCN(c3nc4c(nc3NC3CC3)CCN(C)C4)CC2)c(F)c1 1772616423 WWWODUMJPXCYHV-UHFFFAOYSA-N 427.524 3.234 0 1 IGAF Cn1cnc(S(=O)(=O)N2C[C@H](Nc3cccc(Cl)c3)[C@H](c3ccc(F)cc3)C2)c1 1857745491 KAWLEQDIBOZKFD-OALUTQOASA-N 434.924 3.481 0 1 IGAF CC(C)C[C@H](NC(=O)c1cccs1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 198919642 IXZQDUWJHJSIBP-OALUTQOASA-N 427.570 3.200 0 3 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCCc1ccc(OC)c(OC)c1 4547102 JEXSBVQUBGWAND-XORWPDPZSA-N 432.561 3.115 0 1 IGAF COc1cc2ncnc(N3CCN(C(=O)Nc4cncc(Cl)c4)CC3)c2cc1OC 13491526 XAIGUAJNCYCDBP-UHFFFAOYSA-N 428.880 3.050 0 1 IGAF COCCN(CCOC)c1ncnc2c1nnn2-c1ccc(C(C)C)cc1Br 13794725 CNGSXYJIBIWWGZ-UHFFFAOYSA-N 449.353 3.196 0 1 IGAF C[C@@H]1[C@@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c2c1Cl 28224251 MGBPVANPCHUGII-CLAHSXSESA-N 437.805 3.295 0 1 IGAF Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC3=O)nc1 40395080 BHUJWKLXOJFZOZ-UHFFFAOYSA-N 433.537 3.361 0 1 IGAF COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)cs2)c1 82085908 WLGHTDDZSWTAKI-SFHVURJKSA-N 442.493 3.227 0 1 IGAF CC(=O)NCCNC(=O)c1cnc(N2CCCC2)nc1-c1ccc(-c2ccccc2)cc1 82159811 BCCKQYFXLUJFGK-UHFFFAOYSA-N 429.524 3.277 0 1 IGAF Cn1c2c(c3c1[C@@H]1Oc4c(O)ccc5c4[C@]14CCN(CC1CC1)[C@H](C5)[C@]4(O)C3)CCCC2 101210807 FFTBXBGJNXJGQT-CNVJREJJSA-N 432.564 3.309 0 1 IGAF CCOP(=O)(OCC)[C@H](O)CCn1cc(Cn2cc(C(C)=O)c3ccccc32)nn1 103279791 OKISERHTLXYBOF-FQEVSTJZSA-N 434.433 3.458 0 1 IGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CN3CCOCC3)c2)cc1 117313374 PQJSNWAUFVVLKB-UHFFFAOYSA-N 440.569 3.337 0 1 IGAF COc1cc(Nc2ccc(S(=O)(=O)N3CCOCC3)c(C(F)(F)F)c2)cc(OC)c1 145249717 RKEWKOCMRYXLFC-UHFFFAOYSA-N 446.447 3.487 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(NCC(C)(C)O)c3Cl)C2)cc1 221215875 TURFAFSCSMANPJ-KBXCAEBGSA-N 447.967 3.168 0 1 IGAF COc1cnc(C(=O)Nc2ccc(Cl)c([C@@]3(C(F)F)N=C(N)O[C@@H]4C[C@@H]43)c2)c(C)c1 226071892 QLVMNEQLYPHVMA-XBHMSOGKSA-N 436.846 3.498 0 1 IGAF O=S(=O)(Nc1cc(-c2nc3c(O)nc(O)nc3[nH]2)ccc1Cl)c1ccc(F)cc1 587171710 UWEZIKCDFHVWEM-UHFFFAOYSA-N 435.824 3.024 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CN(Cc1ccccc1)C[C@H]2C(=O)O 587583873 VMXLWVQOXSZMPZ-CTIGNXTNSA-N 431.444 3.309 0 1 IGAF CCN1c2ccccc2[C@]2(CS1(=O)=O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587612948 LNUCVDPCLGLDLJ-REWPJTCUSA-N 437.473 3.419 0 1 IGAF CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)N[C@@H](C)Cc1ccc(F)c(Br)c12 587792670 BUKPZWXSSDYZMR-GAVQZSGMSA-N 442.325 3.470 0 1 IGAF CCn1ncc2c(F)cc(C(=O)Nc3nnc(C4(C)CCN(C(C)=O)CC4)s3)cc21 653850809 GZVQBPFAIJXOPP-UHFFFAOYSA-N 430.509 3.199 0 1 IGAF Cc1cccc([C@@]2(c3cccc(Cl)c3)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1 963211529 CDTPIRXAIVRBPW-STWLZBDKSA-N 446.938 3.421 0 1 IGAF COc1cc2c(cc1OC)[C@@H](C(=O)Nc1cccc(C)n1)[C@H](c1cccnc1)N(C)C2=O 3958481 YZHNTCMHCNIXKH-YADHBBJMSA-N 432.480 3.351 0 3 IGAF O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N1CCN(c2ccccc2Cl)CC1 2500391 LWBCIPUUAXXGCY-UHFFFAOYSA-N 442.972 3.339 0 1 IGAF O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1 4238557 JLUUSKMNVVFFMQ-UHFFFAOYSA-N 431.471 3.072 0 1 IGAF COc1cccc(Cn2c(=O)c(-c3cn(C)c4ccccc34)nc3cnc(OC)nc32)c1 4239180 XAPSNIAXMUMVLR-UHFFFAOYSA-N 427.464 3.411 0 1 IGAF Cc1ccnc(NC(=O)[C@H](NS(=O)(=O)c2cccc3nsnc23)c2ccccc2)c1 9692496 XNFXAGGLOMKHOC-GOSISDBHSA-N 439.522 3.053 0 1 IGAF COc1ccc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2COC(C)=O)cc1OC 13400207 UQRCZVRHEJVEMI-UYAOXDASSA-N 442.420 3.263 0 1 IGAF biogenic COc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1N1CCN(C)CC1 13782729 OZYPUQNRUYTZDI-UHFFFAOYSA-N 440.363 3.010 0 1 IGAF C[C@H](C(=O)NCc1ccc(F)cc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 15954960 ADENIIFIXSWQJV-JBEBIEQOSA-N 434.471 3.047 0 1 IGAF biogenic CC1=CC(=O)O[C@@H]1[C@@H](O)/C=C(\C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)C(=O)O[C@@H](C[C@@]1(C)O)[C@H]23 40974814 NFNKLYVALXQMTH-SUXGLGSNSA-N 432.557 3.455 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4ccccc4n3)CC[C@H]2C)c1 49036762 WFWYBEKBFWVQBF-GOSISDBHSA-N 427.512 3.260 0 1 IGAF COc1ccccc1CCNc1nc(N2CCC(O)CC2)nc2cc(OC)c(OC)cc12 82127807 OGXZJNVAZGSNRF-UHFFFAOYSA-N 438.528 3.271 0 1 IGAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 82140794 LIFDBDWKXNIRBE-JZXOWHBKSA-N 439.535 3.103 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@H]3C)c(-c3cccc(C)c3)n2)CC1 82145321 VVQICLHVMYBLAZ-XMSQKQJNSA-N 435.572 3.429 0 1 IGAF O=S(=O)(CC(F)(F)F)c1ccc2[nH]c(N3CCO[C@H](c4ccccc4)C3)nc2c1 95580094 PHIHUSKNIVVTLO-KRWDZBQOSA-N 425.432 3.477 0 1 IGAF CCCS(=O)(=O)N1CCN(C2(CNC(=O)c3ccc(Cl)cc3)CCCCC2)CC1 95581900 MQHMTCNEJOYTMM-UHFFFAOYSA-N 442.025 3.130 0 1 IGAF CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CC1)[C@@H](C)CO2 95679791 BDRXDQAKPVBUQK-PNLZDCPESA-N 431.577 3.251 0 1 IGAF CCCN(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C 95708253 OAEFJTIHAXTXFK-YYDVJCTNSA-N 446.613 3.464 0 1 IGAF C[C@H](CCn1oc(=O)[nH]c1=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 118919877 GYIFKHHUMQDLGP-GJJSJDPCSA-N 448.604 3.146 0 1 IGAF CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H](C(=O)c2ccc(Cl)cc2)N2CCC[C@H]32)cc1 137648324 SBHPYWUIZUXOQZ-PLACYPQZSA-N 436.895 3.378 0 1 IGAF COc1cc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCc2ccccc2)ccc1O 169687206 ADCXOCIGMYJKFP-FCHUYYIVSA-N 433.460 3.496 0 1 IGAF S=C1N=C2/C(=C/c3ccccc3)CN(CCN3CCOCC3)C[C@@H]2[C@@H](c2ccccc2)N1 169730308 VHMXDGHJKLMBPQ-RXHZSFAVSA-N 446.620 3.404 0 1 IGAF CCOC(=O)CNC(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@H]2CC[C@H]1N2Cc1ccccc1 299810582 LFOIYLDRFZIQIX-UBBRYJJRSA-N 427.932 3.161 0 1 IGAF Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 299879829 LHPKLWMJULROMO-BJLQDIEVSA-N 435.572 3.272 0 1 IGAF O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1)N1CCC1 586955988 XTQFFHPCTFCEPJ-UHFFFAOYSA-N 446.960 3.110 0 1 IGAF Nc1cc(-c2nc3c(I)cnc(Cl)c3[nH]2)ccc1CC(=O)O 587250714 XUPBGYYINUTWDX-UHFFFAOYSA-N 428.617 3.092 0 1 IGAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@]13Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1)N2C 587337852 MUKZLPHPDSEOOF-WIUUXKQVSA-N 425.456 3.285 0 1 IGAF O=C(O)c1cc([C@H]2N[C@H](C(=O)O)Cc3c2cnc2ccccc32)ccc1Br 963227914 HLQWXNZPEQMTIY-ZWKOTPCHSA-N 427.254 3.384 0 1 IGAF CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@H]2CN(C(=O)COc3ccccc3)CCN21 2356303035 KGJGESPVHYXWNT-HXUWFJFHSA-N 441.959 3.166 0 1 IGAF CC1(C)OC(=O)C=C[C@]2(C)[C@@H]1CC[C@@]13C[C@]4(C)C=C5C(=O)OC[C@]5(O1)[C@@](C)(C[C@@H]32)C4=O 2356493739 FJUKORDKRQJGNE-IGPLBTRMSA-N 426.509 3.291 0 1 IGAF COc1c(O)c(C(=O)O)c2c(c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@@H](C)[C@@H](C)C2 2356625183 CYOQLUBFWYSAMW-FJHFEUQMSA-N 446.452 3.374 0 1 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccoc2)[C@@H]1C(=O)N[C@H](CO)Cc1ccccc1 770890 KPNJNVQYVALZFK-KWOQKUFVSA-N 434.492 3.490 0 1 IGAF O=C(C(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1)c1c[nH]c2ccccc12 3591502 ZTPOIAUGOSIZGJ-UHFFFAOYSA-N 440.297 3.098 0 1 IGAF Cn1nc(-c2ccccc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)COc1ccccc1 8635318 WMLVNXKFXNRSPJ-XJUOHMSHSA-N 430.552 3.460 0 1 IGAF biogenic CNCC(Cl)=C1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CC1 9133313 RIFMONDGQOKULF-UHFFFAOYSA-N 449.910 3.495 0 1 IGAF COc1cc([C@@H](c2sc3nc(C)nn3c2O)N2C[C@H](C)O[C@@H](C)C2)cc(OC)c1OC 23158019 ZIQQCEIFLOXHFL-PRXAMGSTSA-N 448.545 3.029 0 1 IGAF O=C(c1cc(F)cc(F)c1)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1 28870261 NOBSINPJDRJYCC-UHFFFAOYSA-N 443.494 3.319 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)c(C)oc4n3)CC[C@H]2C)c1 43196191 KAUVENWIKOUYCS-MRXNPFEDSA-N 445.527 3.470 0 1 IGAF CCn1nccc1NC(=O)c1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2N)c1 64560416 CVMGGAWNRBFLIQ-UHFFFAOYSA-N 429.484 3.484 0 1 IGAF CCOP(=O)(CC/C=C/Cn1cc(F)c(=O)n(C(=O)c2ccccc2)c1=O)OCC 66112697 UXKCMQNYRLIDSX-RMKNXTFCSA-N 438.392 3.050 0 1 IGAF CCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)CCNC(=O)OCc1ccccc1 82199090 BALMEPLEWIOQIQ-RTWAWAEBSA-N 447.576 3.005 0 1 IGAF CC(C)[C@H]1Cn2c(c(NCc3ccccc3F)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82206328 CNYFOGBFMBCGOH-LJQANCHMSA-N 426.467 3.399 0 1 IGAF Cc1ccccc1-c1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)NC4CCCC4)C[C@@H]23)cc1 95795195 BZOMOBOIMROXPJ-LSQMVHIFSA-N 433.552 3.285 0 1 IGAF O=C(Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3ccccc3)N2)cc1)[C@@H]1CCc2cccc(=O)n21 115475905 OZXUSBILVIKYQB-GEMTWJNPSA-N 443.547 3.371 0 1 IGAF CN1CC[C@@H](C(=O)N2CC=C(c3ccc(NC(=O)N4Cc5ccccc5C4)cn3)CC2)C1 166686539 NZDDJINOVMYFHB-OAQYLSRUSA-N 431.540 3.197 0 1 IGAF CCc1cc(OC(=O)OC)c(Oc2ccc(C(=O)N3CCNC(=O)C3)cc2F)cc1F 169700182 OQKIAAOEQSZMBX-UHFFFAOYSA-N 434.395 3.037 0 1 IGAF C[C@@H]1CS[C@@H](COc2ccc(Cl)cn2)CN1C(=O)c1ccccc1-n1nccn1 207387303 HKXBHSSMEQTLRR-GDBMZVCRSA-N 429.933 3.341 0 1 IGAF CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(C(F)(F)F)c(OCC2CCOCC2)n1 207736094 SVVRYMVWCZWKKF-INIZCTEOSA-N 445.482 3.186 0 1 IGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@]4(CN)CCc5cc(F)ccc54)ncc23)ccn1 219762140 YARPDYKLNGSZDO-QHCPKHFHSA-N 431.475 3.389 0 1 IGAF Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(F)(F)CC3)cn2)cn1 224778731 PZQZZFGGVHZGBH-UHFFFAOYSA-N 431.468 3.208 0 1 IGAF CCOC(=O)[C@@H]1CCCN(Cc2cn([C@H]3CCCC[C@H]3OC(=O)c3ccccc3)nn2)C1 254194068 XHWCBKCOVCEINV-BAGYTPMASA-N 440.544 3.394 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 299882186 PHKJZWLSXPBGNC-WUMKDDEVSA-N 438.568 3.179 0 1 IGAF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 586950719 BKLSACLJHQNASH-UHFFFAOYSA-N 432.303 3.309 0 1 IGAF CCS(=O)(=O)c1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1 586969430 KSVQRRFMHRWYLQ-UHFFFAOYSA-N 444.494 3.428 0 1 IGAF COCCN1C(=O)[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)c2ccc(Br)cc21 587370189 BWGMXWUXEGYQJM-HXUWFJFHSA-N 431.286 3.193 0 1 IGAF CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581593 IHGQXRJUVLFXKM-FYINFDKHSA-N 427.453 3.358 0 1 IGAF O=C(CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O)N1CCC[C@H](F)C1 653850847 XCKOJHQDQVQSMM-INIZCTEOSA-N 439.466 3.367 0 1 IGAF N[C@H]1C[C@@H](N2Cc3cnc4nnc(C5CC5)n4c3C2)CC[C@@H]1c1cc(F)c(F)cc1F 653905732 HFUIIUHINNYZIC-KSMMKXTCSA-N 428.462 3.398 0 1 IGAF CC(C)(C)OC(=O)N1CC=C[C@]2(C1)N[C@@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962639239 UMGIIXTVIZZULW-DNVCBOLYSA-N 428.407 3.186 0 1 IGAF C[S@@](=O)c1ccc(-c2cnc3ccc(Nc4ccc(S(C)(=O)=O)cc4)nn23)cc1 1857546300 PIDJJKPBPNYUKE-MUUNZHRXSA-N 426.523 3.281 0 1 IGAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C[C@H]2CCCO2)[C@H](C)C(=O)N3C)cc1 1857746624 NJCKTHYQQQZAAB-SJLPKXTDSA-N 429.542 3.146 0 1 IGAF CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3cc(Cl)ccc3NC(=O)[C@@]12C 36387203 MUXCFTONBKZVSA-JYISGYRJSA-N 440.883 3.436 0 3 IGAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)Cc1ccc(Cl)cc1Cl 61904764 KTIIWOHCYVJTTH-LJQANCHMSA-N 441.336 3.032 0 3 IGAF Cc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)N(C[C@H]3CCCO3)CC(=O)N12 61949398 WXQYKLZXXWGYIL-AOKXXDQWSA-N 446.547 3.451 0 3 IGAF Cc1ccc(NC(=O)c2[nH]cnc2C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1 61958695 OUTMYFXVLINGNJ-UHFFFAOYSA-N 427.505 3.100 0 3 IGAF COc1cc(OC)nc(O[C@H](C(=O)O)C(OC)(c2ccc(F)cc2)c2ccc(F)cc2)n1 13756024 FTHTWZGSLVJZJB-LJQANCHMSA-N 446.406 3.194 0 1 IGAF CC1CCN(c2c(NCC3CCC(C(=O)N[C@@H]4CCCC[C@@H]4C)CC3)c(=O)c2=O)CC1 20418578 MSAFLELAJFFFRP-DCCYDQLOSA-N 429.605 3.432 0 1 IGAF O=C(O)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 27520779 PZNZBFBEAZCEQK-NRFANRHFSA-N 437.473 3.248 0 1 IGAF O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2cc(F)c(F)cc2o1 35861758 KWGHMJGFVYVORH-UHFFFAOYSA-N 442.418 3.194 0 1 IGAF Cn1c(-c2noc(N3CCN(C(=O)NC4CCC(F)(F)CC4)CC3)n2)nc2ccccc21 72180976 SRIWAHGIFFDHPA-UHFFFAOYSA-N 445.474 3.033 0 1 IGAF O=C(c1ccc(F)cc1)N1CCO[C@@H]2C[C@@H](O)[C@H](N3CCC(c4ccccc4)CC3)C[C@@H]21 73312861 PILVQYHTDSKTBX-ZFFYZDHPSA-N 438.543 3.438 0 1 IGAF COc1ccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)cc1 95798068 AMTKRMGMWFDPFB-GNKBHMEESA-N 442.515 3.174 0 1 IGAF Nc1ccc(S(=O)(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1 98082306 IUCIOVDSDOVWRZ-UHFFFAOYSA-N 440.912 3.100 0 1 IGAF Cc1nc2cnccc2nc1-c1cc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1 118908423 OAGXNAXBTGEKIH-UHFFFAOYSA-N 430.516 3.234 0 1 IGAF CCS(=O)(=O)c1ccc(O[C@H]2CC[C@H](O)CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146401268 NBRRDAGQJCKBBQ-GASCZTMLSA-N 430.526 3.010 0 1 IGAF CC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4n3)CC(C)(C)CNC5=O)cnc21 147262136 BVXJEHLFTPAGNE-UHFFFAOYSA-N 431.500 3.384 0 1 IGAF COc1cc(Cl)ccc1CC1(OC)CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 207114158 YBBIXCMTMNKKNK-UHFFFAOYSA-N 427.954 3.101 0 1 IGAF COc1ccc(S(=O)(=O)NCc2ccc(-c3ccc(CN(C)CCO)cc3)cc2)cc1 230567216 LKDNDGXZQCAEDH-UHFFFAOYSA-N 440.565 3.265 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@@H](O)CC 299881808 ORMAYFFABOHALT-VSUDMRMVSA-N 442.512 3.081 0 1 IGAF COc1ccc(-c2nc3nc(Br)c[nH]c-3n2)c(I)c1 587178809 MBGQOYOQFCIIAR-UHFFFAOYSA-N 431.031 3.347 0 1 IGAF Cn1nnnc1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587583624 UNBJKLGWRDGCKE-NZQKXSOJSA-N 430.420 3.198 0 1 IGAF COC(=O)C(=O)c1c(-c2cnn(-c3ccccc3)c2C)[nH]c2ccc(S(C)(=O)=O)cc12 587651236 PCKVCPISBLEJJX-UHFFFAOYSA-N 437.477 3.088 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(OCc3nnnn3C)c2)N1 587760998 RXQUUNKFRLEUPX-WYRIXSBYSA-N 432.297 3.314 0 1 IGAF CNS(=O)(=O)c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587842264 TXKQTWDTOIKPFZ-ZMZPIMSZSA-N 427.339 3.294 0 1 IGAF C/C=C/Cn1cc(-c2ccc(C(=O)NCc3cnccn3)c(Cl)c2)n2cncc2c1=O 1857616368 HPUSOFNQCLZTAC-NSCUHMNNSA-N 434.887 3.113 0 1 IGAF COc1c2c(cc3c1OCO3)[C@]13C=C[C@H](OC)C[C@@H]1N(C2)C[C@H]3OC(=O)c1ccccc1 1911572402 FKJKARGXIBDHQH-CCUPELQVSA-N 435.476 3.060 0 1 IGAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@@H](C)[C@@]23C[C@@](O)(COC2CCCC2)C(C(=O)O)=C3C1 2356497375 LSNZCSNGWVEELB-GFHGCJKTSA-N 443.588 3.258 0 1 IGAF CCCCN(CC)CCCNC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O 4035370 OTSUPQAIHZIBAL-UHFFFAOYSA-N 435.572 3.011 0 3 IGAF O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl 4055178 MWIBJNVGODZUBK-IEBWSBKVSA-N 441.286 3.349 0 1 IGAF COC(=O)[C@@H]1CCCN1Cc1ccc(CN2CCN(c3ccccc3OC)CC2)s1 13445391 WSVLBNNZDIDXTO-NRFANRHFSA-N 429.586 3.216 0 1 IGAF CC[C@@H]1CN2CC[C@@]3(OC)C(=Nc4cccc(OC)c43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC 13473312 HDYBGDSGVPXPCV-WXRNRAEGSA-N 428.529 3.447 0 1 IGAF Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCc3ccccc3C2)cc1 43527010 AGQMLUMCJDMVNW-YFNKSVMNSA-N 439.625 3.042 0 1 IGAF biogenic CC(C)NC[C@@H](O)COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](O)[C@H]2N(C)C 66263350 DFGVLEYIPSNYJU-WUUZVMERSA-N 430.633 3.181 0 1 IGAF CCOc1ccc2c(=O)cc(CC)oc2c1CN1CCN(C(=O)C(=O)c2ccccc2)CC1 72117005 QXNLYRVRVCUOLA-UHFFFAOYSA-N 448.519 3.281 0 1 IGAF COc1cc(=O)oc2c1[C@H](O[C@@H]1O[C@@H](C)[C@@H](C)c3oc(=O)cc(OC)c31)O[C@@H](C)[C@H]2C 72142896 CGCDOVOCJQXOOK-QTTRIFOMSA-N 434.441 3.369 0 1 IGAF CC[C@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82208424 HXGSSCWDZGAGSB-SFHVURJKSA-N 428.508 3.310 0 1 IGAF O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccccc1)[C@H](c1ccccc1)CN2 82208489 URSPKBUDJCPQOR-QFIPXVFZSA-N 440.503 3.391 0 1 IGAF C[C@]1(CO)CCC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]5O[C@H]6OC(=O)C[C@]6(O5)[C@H](O)C[C@H]4[C@]3(C)CC[C@@H]12 85643496 RMYAHSJORMLQLI-REZXIXSRSA-N 434.573 3.383 0 1 IGAF CC(C)[C@@](C)(O)[C@@H]1CN(c2ccc(C(F)(F)F)c(-c3n[nH]c4ncccc34)n2)CCN1 95581175 XCOCBCMPDCQQRX-MGPUTAFESA-N 434.466 3.224 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)NC[C@H]1C 95688531 VMZAIKVTLMIHQJ-JLHGSKIFSA-N 440.544 3.424 0 1 IGAF CC[C@@H]1[C@@H](/C(=C\OC)C(=O)OC)C[C@@H]2N(CC[C@]23C(=O)Nc2ccccc23)[C@H]1CC(C)=O 96086315 VWNYHBABHBBFQC-QFEVCRBPSA-N 440.540 3.048 0 1 IGAF Cc1ccc(NC(=S)NC[C@@]23C=C[C@H](O2)[C@H]2C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1 101390967 UAKHLGWRPMSYGS-UECWXEIQSA-N 433.533 3.103 0 1 IGAF COc1cccc(-c2cc3c(NC4[C@H]5CC6C[C@H]4CC(O)(C6)C5)c(C(N)=O)cnn3c2)c1 146096554 CZLSGBPNEBDSKP-RPXZYGHBSA-N 432.524 3.460 0 1 IGAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)C(=O)C[C@@]4(O)[C@@H]3CC[C@@H]2C1 253632935 JIOXQMJNOROPDA-CRDYANQOSA-N 430.541 3.354 0 1 IGAF CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 261184431 WXOFSOBWUSNIIJ-SAABIXHNSA-N 433.540 3.326 0 1 IGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586964661 IYTTUKKGPJVEOJ-UHFFFAOYSA-N 433.444 3.341 0 1 IGAF Cc1cc(Br)c2[nH]c(-c3nc(O)nc(O)c3I)nc2c1 587182269 NSDGWWREGBKWDR-UHFFFAOYSA-N 447.030 3.107 0 1 IGAF COC(=O)c1ccc(OCCOc2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)cc1 587558631 BBZVAIMJTSIVQK-UHFFFAOYSA-N 433.420 3.347 0 1 IGAF CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)N[C@H](C)Cc1ccc(F)c(Br)c12 587792673 BUKPZWXSSDYZMR-PHDHYAMOSA-N 442.325 3.470 0 1 IGAF COc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)c2ccccc2)c(OC)c1 618005660 YPEXKCMSNWMXAZ-IBGZPJMESA-N 432.523 3.424 0 1 IGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@H]3CCOC[C@H]3C)c2cn1)c1ccccc1 1772586720 JYSNHMORORUHFY-ZMYBRWDISA-N 425.489 3.271 0 1 IGAF Cc1nnc2n1-c1ccc(-c3ccc(=N)[nH]c3)cc1[C@H](N=c1[nH]n(C)c3ccccc13)CC2 1857551530 MUMNSNIYPROWMF-HXUWFJFHSA-N 436.523 3.458 0 1 IGAF O=C(O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](c1cccnc1)c1nnnn1C1CCCCC1 1857610935 UOULBFKHQCIAFS-VXKWHMMOSA-N 445.527 3.430 0 1 IGAF N=c1nc(N2CCC(N(CCc3ccc(Cl)cc3)Cc3cccc(O)c3)CC2)[nH][nH]1 1911576276 IRENZKMIJSGHBF-UHFFFAOYSA-N 426.952 3.290 0 1 IGAF C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@H](C)[C@@H]2[C@@H]1O 2356316693 IEWZIGXVWRHXMJ-PZMQMKGLSA-N 427.589 3.262 0 1 IGAF CC(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@H](C)[C@]23Cc2c(cc4c(c2O)[C@H](O)OC4)O3)C1(C)C 2356396608 QDGUJKIOPSEVQG-SWKCEVGBSA-N 446.540 3.362 0 1 IGAF C[C@H](C[C@H](O)CCCO)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356606517 SMEKHTLVUPIQOE-GHQJJXRISA-N 438.649 3.107 0 1 IGAF Cc1ccc(C(=O)NCCn2cc(SCC(=O)N3CCOCC3)c3ccccc32)cc1 8670444 VGGZDCXGAKWTFG-UHFFFAOYSA-N 437.565 3.331 0 3 IGAF CC(=O)Oc1ccc(CN2C(=O)[C@@H](CCc3ccccc3)ON=C2c2cnccn2)cc1 61895657 OFDRGGUCRYLZMU-JOCHJYFZSA-N 430.464 3.124 0 3 IGAF O=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)C1CCCCC1)c1ccccc1 198920813 QBMZNEAGQWDEOD-VXKWHMMOSA-N 425.573 3.415 0 3 IGAF O=C(Cn1c(=O)n(-c2cc(F)ccc2F)c(=O)c2sccc21)NCCC1=CCCCC1 2466688 ALVYSXKBOWVZTG-UHFFFAOYSA-N 445.491 3.499 0 1 IGAF CCOc1ccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NCCOCCO)cc1 2480920 BBMZWAJNZMQIFQ-UHFFFAOYSA-N 426.469 3.155 0 1 IGAF O=S(=O)(c1cccc2nsnc12)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 2926024 QXKOLQWNBIPUNB-UHFFFAOYSA-N 443.472 3.382 0 1 IGAF C[C@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccc(F)cc32)C[C@@H](C)N1 13795940 GGWNZEZHVXZIET-OKILXGFUSA-N 429.496 3.089 0 1 IGAF COc1ccc(NC(=O)N2CCN(c3c(C)cccc3C)CC2)cc1N1CCN(C)CC1 26957464 MEOFAFSHVFKVBH-UHFFFAOYSA-N 437.588 3.418 0 1 IGAF NC(=O)NCc1ccc(NC(=O)/C=C2\C[C@@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1 40712551 JCCJCTNJPWOBID-RFKZRZAASA-N 449.294 3.453 0 1 IGAF Nc1nc(NCc2ccc(-c3ccccc3)cc2)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1 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C[C@]12CC[C@@H]3c4cc(Br)c(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CCC2=O 28464529 LCTDWKXSEKLVNB-JPVZDGGYSA-N 428.348 3.457 0 1 IGAF COC(=O)c1ccccc1OC[C@H](O)CNCCNc1cc(Cl)c2ccccc2c1O 40465306 PVJLTPGFOWEHDM-OAHLLOKOSA-N 444.915 3.427 0 1 IGAF O=c1nc2n(CCC3CC3)nc(-c3ccc(Cl)c(Cl)c3)nc-2c(=O)n1CC1CC1 49088198 OSHRNSGCVBMTOL-UHFFFAOYSA-N 432.311 3.484 0 1 IGAF C[C@H]1CN(Cc2ccc(N(C)C(=O)c3ccc(N4CCC(F)CC4)nc3)cc2)CCN1 95598504 NYQIBDUGUASXTF-SFHVURJKSA-N 425.552 3.090 0 1 IGAF CC[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCCN4CCOCC4)cc3)oc2c1 168203516 VANHQVSQZMBUJF-KRWDZBQOSA-N 448.523 3.456 0 1 IGAF N[C@@H]1C[C@@H]1c1ccc(OCC[C@@H](NC(=O)c2ccc(O)cc2)C(=O)Nc2ccccc2)cc1 169308232 MZQZUCSIMIFCIC-WXFUMESZSA-N 445.519 3.413 0 1 IGAF CCCOc1cccc([C@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)c1 169688994 WLESYWXDANUSDD-SJORKVTESA-N 425.466 3.384 0 1 IGAF Nc1cc(N2CCN([C@H](CN3CCCCC3)c3cccc(C(F)(F)F)c3)CC2)ncn1 219315811 XRPOQCMAHIABMN-LJQANCHMSA-N 434.510 3.427 0 1 IGAF 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3.398 0 1 IGAF COc1cc(OC)c(-c2cn3ccc(C4=CCN(CC(N)=O)CC4)cc3n2)cc1Cl 1857585179 QWBCUJHOOMSMCF-UHFFFAOYSA-N 426.904 3.246 0 1 IGAF CC(C)CCC[C@H](C)CCc1csc(=NCC(P(=O)(O)O)P(=O)(O)O)[nH]1 1857610348 UBBGRWZEBUYSIE-LBPRGKRZSA-N 428.428 3.053 0 1 IGAF CC(C)N(CCCNC(=O)Cn1[nH]cc2c3ccccc3nc-2c1=O)Cc1ccccc1 15962634 HZBMRAIPUVKAES-UHFFFAOYSA-N 431.540 3.246 0 3 IGAF COc1ccc(C(=O)O[C@H]2C[C@H]3C[C@@H](OC(=O)c4ccc(OC)cc4)[C@@H](C2)N3C)cc1 14590305 CYYVWDCOFOKRDD-GUGJDKNPSA-N 425.481 3.321 0 1 IGAF biogenic CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccccc2Cl)C1 20511476 KDBGXBNYFAZREO-QGZVFWFLSA-N 427.998 3.178 0 1 IGAF Cc1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2cccc([C@H](O)C(N)=O)c2)c1F 26500932 IGPMEYFQLIPWOY-KRWDZBQOSA-N 428.395 3.056 0 1 IGAF O[C@@H]1CS[C@@H](n2cnc3c(NCc4cccc5ccccc45)nc(Cl)nc32)[C@@H]1O 28656151 SBJORAVUWWLBAK-IDHHARJASA-N 427.917 3.212 0 1 IGAF CC(=O)c1ccc(N2CCN(C(=O)c3cc(C)ccc3N3CCOCC3)CC2)c(F)c1 40973550 WOSATHWKIQUKKX-UHFFFAOYSA-N 425.504 3.136 0 1 IGAF CC[C@@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 82208382 JKWABFDKNRZRGM-GFCCVEGCSA-N 449.294 3.415 0 1 IGAF O=Cc1ccc([C@@H](C2CCCCC2)[C@H]2C[C@@H]([C@@H]3CC[C@H]4[C@@H](O)CC[C@H]4N3)[C@@]3(O)CN23)cc1 85547731 YHOOJSBJHQYHSM-PNCVIDCPSA-N 438.612 3.447 0 1 IGAF biogenic,in-vitro CNCCCNc1c(C(=O)NCc2ccc(F)cc2)nc(Br)c2cccnc12 95573857 ZZZJDPAUPRELIQ-UHFFFAOYSA-N 446.324 3.483 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CC2CC2)C[C@H]1C 95679953 RQRIRLWLPMSYRH-SAHWJRBASA-N 443.588 3.251 0 1 IGAF Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@H]2c2cc(Br)ccc2N[C@H]3CO)cc1 95878146 QOAMHAVTMBZIDA-SNRMKQJTSA-N 437.359 3.296 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(=O)[nH]oc4c3)c2)cc1 202064207 NMJWCQGGFPONEM-UHFFFAOYSA-N 438.509 3.463 0 1 IGAF FC(F)(F)Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCNCC3)n2)cn1 211046936 RLVWGBLSDHEDOU-UHFFFAOYSA-N 442.449 3.041 0 1 IGAF C[C@@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccn(-c2ccc(Cl)cc2)n1 221678177 RWUSZRWKGUZDBQ-PSTGCABASA-N 446.870 3.334 0 1 IGAF O[C@@H]1CN(Cc2ccccc2Br)CC[C@H]1N1CCN(c2ccccc2)CC1 253639836 VJRSTFDCSIUBGZ-FGZHOGPDSA-N 430.390 3.207 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CCCCC4)ncc3F)C2)cc1 261098286 FTXIRIRLFOXMQR-OXJNMPFZSA-N 427.524 3.461 0 1 IGAF COc1ccc(NC(=O)C2(N(C)C)CCN(c3ncnc4[nH]c5c(c34)CCCC5)CC2)cc1 653847684 ZMFPALFDOPHLTO-UHFFFAOYSA-N 448.571 3.385 0 1 IGAF Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)NC[C@H]2CC(=O)N(C)c3cccc1c32 963031915 RVJCPVBCCZXNTN-PEBXRYMYSA-N 442.441 3.333 0 1 IGAF CN(C)c1cccc(C(=O)N[C@H]2C[C@@H](n3cnc4c(NCc5cccnc5)ncnc43)C2)c1 1772588585 FUCRMKSGJIWXFQ-PUZFROQSSA-N 442.527 3.033 0 1 IGAF NC(=O)c1cccc(Nc2ncnc(N3CCc4cc(Br)ccc4C3)n2)c1 1772603599 APTRRYWTPCZNTQ-UHFFFAOYSA-N 425.290 3.039 0 1 IGAF CNC1CCN(Cc2ncc(-c3ccc(Cl)c(NC(=O)c4coc(=N)[nH]4)c3)s2)CC1 1857534359 RXOVXOYLFRFBOT-UHFFFAOYSA-N 446.964 3.300 0 1 IGAF COc1c(N2CCOCC2)c(F)cc2c(=O)c(C(=O)Nc3nccs3)cn(C3CC3)c12 1911577543 LTECFVYRRINLNA-UHFFFAOYSA-N 444.488 3.030 0 1 IGAF CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758672 KBCASKUAVNPVRA-SFHVURJKSA-N 441.528 3.289 0 1 IGAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C\C(=O)OCCN(C)C)[C@H](C)[C@@H]3[C@@H](O)C[C@@H]12 5208651 ZYHLLGTZEZUWFJ-VTFKXBHRSA-N 435.605 3.430 0 1 IGAF CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1nc(C)nnc1C(=O)O 13832806 HTAYJNQOXVXHQD-UHFFFAOYSA-N 430.472 3.142 0 1 IGAF COc1cc2c(cc1OC)[C@]1(O)C(=O)c3cc(OC)c4c(c3O[C@H]1CO2)C=CC(C)(C)O4 14721545 VSSFKDAMVNYAEJ-YADARESESA-N 440.448 3.121 0 1 IGAF biogenic CCCCOc1ncc(C(C)=O)cc1-c1nc(O)c2nn(Cc3nccn3C)c(CC)c2n1 14955589 KXBOKGPWEVCLQK-UHFFFAOYSA-N 449.515 3.320 0 1 IGAF CCOc1ccc(OCC)c(NC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)c1 20137030 XCCOPXVIPZPXGC-GOSISDBHSA-N 426.560 3.487 0 1 IGAF CCOc1nc2c(n1Cc1ccc(O)c(Cl)c1)C(=O)N(CC)C1=N[C@@H]3CCC[C@@H]3N12 28265307 UAJQAVJNONLDIT-CABCVRRESA-N 429.908 3.262 0 1 IGAF O=C(Nc1ccc2c(c1)NC(=O)[C@@H](CCO)O2)C1CCN(c2cc(F)c(F)c(F)c2)CC1 34642941 OSJROQUTACPGAR-LJQANCHMSA-N 449.429 3.041 0 1 IGAF COc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5ccccn5n4)CC3)c2c1 45193382 SQWLCFYTDDXVHA-VWLOTQADSA-N 431.540 3.179 0 1 IGAF COc1ccccc1-c1cc(-c2c(OC)cc(OC)c([C@@H]3CCN(C)[C@H]3CO)c2O)n[nH]1 58554576 MHNKWPGDCBTYDT-QAPCUYQASA-N 439.512 3.255 0 1 IGAF COc1ccccc1/C(Br)=C(/NC(=O)c1ccccc1)C(=O)N1CCOCC1 72177559 YXYQGBYOUUTELE-HNENSFHCSA-N 445.313 3.048 0 1 IGAF C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(OC(F)(F)F)c3)c3c(N)ncnc32)C1 95576933 WUKALNWRWWDHBY-CYBMUJFWSA-N 432.406 3.324 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)NC[C@@H]1C 95690651 NMVKSNPKIBDAFP-WJONJSRFSA-N 443.519 3.172 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(C)=O)C1 95868878 DRPGIQCZMLLXMK-OAQYLSRUSA-N 441.478 3.104 0 1 IGAF COC(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@H]1C 95872925 CPFCVXYAQBATNY-STSQHVNTSA-N 440.540 3.410 0 1 IGAF COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@@H](CO)N3C)cc1 95878421 JOIATRKTNHHHEU-NQHRYMMQSA-N 436.552 3.489 0 1 IGAF COc1ccn2cc(-c3cccc(-c4cncc(O[C@H]5CCOC5)c4)c3)nc2c1C(N)=O 96916068 NNGALNNNCIJMGT-SFHVURJKSA-N 430.464 3.339 0 1 IGAF CCC(CC)Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 101004883 QXRQLEMWOUOOLR-UHFFFAOYSA-N 426.498 3.000 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3C[C@H]2CN3c2ncc3cc(F)ccc3n2)c1 101334674 ZSZAGDVIYLYNLE-OALUTQOASA-N 443.486 3.151 0 1 IGAF Cc1nc[nH]c1Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1 144858475 WJTXKDYGVWYTNT-GOSISDBHSA-N 440.866 3.455 0 1 IGAF COc1cccc(CNC(=O)c2nc3scc(CC(=O)Nc4ccccc4)c3c(=O)[nH]2)c1 202716897 CJGGFMKXKLWKKP-UHFFFAOYSA-N 448.504 3.104 0 1 IGAF COc1cc(C(=O)O[C@H]2C[C@H]3C[C@H](OC(=O)c4ccccc4)[C@@H](C2)N3C)cc(OC)c1O 238747303 XPJROVPMNASAKM-OKYOBFRVSA-N 441.480 3.027 0 1 IGAF COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 261187965 YCMWGPTZFZCEKS-YOEHRIQHSA-N 435.475 3.253 0 1 IGAF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 586945875 NEXREQKNKYTMEO-UHFFFAOYSA-N 429.405 3.123 0 1 IGAF COc1cc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2cc1OC 586946034 MZNMYQVDBYSUOT-AWEZNQCLSA-N 431.514 3.013 0 1 IGAF Nc1ncnc2[nH]c([C@H](CC(=O)OCc3ccccc3)NC(=O)OCc3ccccc3)nc12 587201743 BYRJNQSDTYMLQT-KRWDZBQOSA-N 446.467 3.036 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 587216361 AHBHILQNLNCNEB-FQEVSTJZSA-N 428.558 3.322 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H]1[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]2[C@@H]5C2(OCCO2)[C@H]41 587837763 KYPCDSQAEWZUTK-GHIHMOFMSA-N 432.333 3.449 0 1 IGAF Nc1cccc(-c2c(OCc3cccnc3)ccc3c(=O)nc(N4CCOCC4)oc23)c1 1772657391 OWACVJBRUVBRRL-UHFFFAOYSA-N 430.464 3.248 0 1 IGAF CNC(=O)Nc1sc2c(C(C)C)cc(NS(=O)(=O)c3ccco3)cc2c1C(N)=O 1857656143 ZCDNXGMEWHEEGC-UHFFFAOYSA-N 436.515 3.269 0 1 IGAF CN1CC(=O)N2[C@H](c3sccc3Br)c3[nH]c4ccccc4c3C[C@@H]2C1=O 1857765974 XLOMBPZCCYWZSX-PBHICJAKSA-N 430.327 3.307 0 1 IGAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)N[C@@H](CO)C(=O)OC 2356734184 XDFZRFBIZJREOQ-ANULTFPQSA-N 439.593 3.070 0 1 IGAF CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](NCC5CCCCC5)CO[C@H]34)n2)cc1 2356851314 QGFQEHPPKKLHLD-MOUTVQLLSA-N 437.588 3.326 0 1 IGAF C=CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)cc2OC)C1=O 26771995 DTZIPHXAKGKTSN-HYBUGGRVSA-N 431.492 3.056 0 1 IGAF biogenic CCOC(=O)CCCCOc1ccc(OC)cc1Cc1cnc2nc(N)nc(N)c2c1C 58660775 BHQORMWWDFDSIW-UHFFFAOYSA-N 439.516 3.209 0 1 IGAF in-vitro O=S(=O)(NC[C@H](NC12CCC(CC1)CNC2)c1ccccc1)c1ccc(Cl)cc1 64277721 MRZOLFKPZOCHHE-LPBNZCGVSA-N 434.005 3.481 0 1 IGAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@H]1CN(C)C(=O)C1CCC1 95701280 STOWNMHVDAONBA-YVHKJVDXSA-N 441.572 3.128 0 1 IGAF CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(C[C@H]3Cc4ccccc4[C@@H]3O)C[C@H]21 101473514 BRMAAOWSKNFCJL-JCTDHXFVSA-N 426.582 3.173 0 1 IGAF COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCCC4)nc3n2)cc1CO 139009993 QBLHOGFZBFUVBU-INIZCTEOSA-N 435.528 3.018 0 1 IGAF COC(=O)c1cc(OCc2ccc(NC(=O)Cc3ccccc3)cc2)cc(C(=O)OC)n1 169327777 RWARRMQNPVIGFQ-UHFFFAOYSA-N 434.448 3.415 0 1 IGAF COCn1c(=O)[nH]c(CC(COCc2ccccc2)COCc2ccccc2)c(C)c1=O 169353936 CUACBKAHTCYLJL-UHFFFAOYSA-N 438.524 3.041 0 1 IGAF COc1cccc([C@@H](O)[C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1 199431495 RPKZHKUOGKQMIC-NTKDMRAZSA-N 434.540 3.425 0 1 IGAF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@@H]1C(=O)NC[C@@H](O)CC 299885694 VVSQMMMBWHPYBY-CJMONDIMSA-N 435.477 3.225 0 1 IGAF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(C5=COCC5)[nH]c4c3)cc2)CC1 586912591 ISITUGYEXJGZFV-UHFFFAOYSA-N 431.540 3.366 0 1 IGAF CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3cncc(C)c3[nH]2)cc1 586933656 VCSVMUBHNSRAPG-UHFFFAOYSA-N 449.492 3.010 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C(=O)O)=NN(CC)c2cc3c(cc21)OCO3 587485676 JQGPHVZTHBGSPI-QHCPKHFHSA-N 438.436 3.215 0 1 IGAF COC(=O)[C@@]1(c2ccc(Cl)cc2)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962637164 QTYAHBBAFBDJNZ-ACJLOTCBSA-N 429.778 3.254 0 1 IGAF CC(=O)N1N=C(c2ccc(Cl)cc2Cl)C[C@H]1c1cccc(OS(N)(=O)=O)c1 1857564564 JWUXXLXQXJBQIY-KRWDZBQOSA-N 428.297 3.273 0 1 IGAF CCn1c2c(c(=O)n(Cc3ccc(F)cc3)c1=O)CN(Cc1cccc(Cl)c1)CC2 1857608658 JTUODWRPJKESBG-UHFFFAOYSA-N 427.907 3.429 0 1 IGAF C[C@H](O)CC=CC=CC=CC(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 2356443805 ZHQUHDHFPDBIHU-INQUTFDASA-N 430.541 3.398 0 1 IGAF Cc1ccccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)C1(c2ccccc2)CCCC1 61928750 KNTUNPDPDCEIFU-HSZRJFAPSA-N 440.565 3.303 0 3 IGAF Cc1ccc(CNC(=O)[C@@H](C)N2C(=O)N3CCc4c([nH]c5ccccc45)[C@@]3(C)C2=O)cc1 15953975 QFKOZHNKLSMVDN-CPJLOUKISA-N 430.508 3.217 0 1 IGAF biogenic COc1cccc(CC(=O)N[C@@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)c1 26375702 OROBBIIDFVAOPI-XMMPIXPASA-N 431.467 3.333 0 1 IGAF CC(=O)N1CCCc2cc(S(=O)(=O)N[C@@H](C(=O)NC3CCCCCC3)C(C)C)ccc21 33834492 POVXHFKAGPKPQM-JOCHJYFZSA-N 449.617 3.128 0 1 IGAF COc1cc(-n2ccnc(NCCc3ccccc3)c2=O)ccc1OCCN1CCCC1 40895851 KJCBAAYRHXGRON-UHFFFAOYSA-N 434.540 3.370 0 1 IGAF COc1ccc(C(=O)N[C@H](CN2CCN(c3cccc(O)c3)[C@@H](C)C2)C(C)C)cc1OC 96910131 CCOVLPXCEUWDFZ-PGRDOPGGSA-N 441.572 3.375 0 1 IGAF Cc1cccc(N2CCN(CCCNC(=O)c3nc(C)n(-c4ccccn4)c3C)CC2)c1C 115181666 MKONVJWMCLCPCH-UHFFFAOYSA-N 446.599 3.443 0 1 IGAF CCN(CC)C(=O)CNC(=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 299819500 BSJSJGWDVZKDCR-DFBXWJCISA-N 445.648 3.451 0 1 IGAF CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)cc1 299882969 QPHDJLROPATLOF-RVCNYPJRSA-N 443.496 3.425 0 1 IGAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)cc2)[C@]12C(=O)Nc1ccc(Br)cc12 473148703 HEFYKBXSIVFZMN-LZJOCLMNSA-N 444.281 3.340 0 1 IGAF COc1nccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c12 586978091 LIGHWEUXBWPIAG-JTQLQIEISA-N 442.111 3.440 0 1 IGAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(Br)ccc(Br)c2[nH]1 587204727 SABNUVWWUHVZSR-SNVBAGLBSA-N 446.143 3.167 0 1 IGAF CCOC(=O)CNc1ccc(-c2nc3cc(S(=O)(=O)C(F)(F)F)ccc3[nH]2)cc1 587227588 PIIUUCMISUARPC-UHFFFAOYSA-N 427.404 3.498 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OCCCO3 587792879 MYNGNDCCKHWWAH-FVINQWEUSA-N 433.277 3.479 0 1 IGAF CCS(=O)(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(=O)NC 1857554997 GZJUTIBRGWTYKA-UHFFFAOYSA-N 429.477 3.256 0 1 IGAF Cn1ccc2cc(CC(=O)Nc3ccc(-n4c5c(c6nc[nH]c(=N)c64)CCC5)cc3)cnc21 1857561463 KHSBOVVYZUUSPA-UHFFFAOYSA-N 437.507 3.390 0 1 IGAF COc1cc(C(=O)N(C)C)ccc1N=c1nc(O[C@H]2CCOC(C)(C)C2)c2cc[nH]c2[nH]1 1857598507 OMAFPTQIFRHSPZ-HNNXBMFYSA-N 439.516 3.170 0 1 IGAF CN(Cc1ccccc1)Cc1cn(C[C@@H]2C[C@H]3CCN2C[C@@H]3C(=O)Nc2ccccc2)nn1 2356307716 MWJQNZUMAHMKEY-ZODMCCGTSA-N 444.583 3.259 0 1 IGAF Cc1ccc2nc(O)c(CN(Cc3cccnc3)Cc3nnnn3C[C@H]3CCCO3)cc2c1 6281521 YXANOUPCQVZBNH-OAQYLSRUSA-N 445.527 3.012 0 3 IGAF CCNc1c2c(nc(NC(=O)Nc3ccc(OC)cc3)n3nc(-c4ccco4)nc23)nn1C 13493998 HVOOLKXFKGSNFT-UHFFFAOYSA-N 447.459 3.355 0 1 IGAF C[C@@H](n1cnc2c(Cl)cccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 29552461 SLWLEXPMAGFIRA-MPBGBICISA-N 431.830 3.069 0 1 IGAF O=S(=O)(c1nccs1)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 36382069 WJGVUTOBZVXTBL-UHFFFAOYSA-N 443.579 3.326 0 1 IGAF CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NCC(F)(F)F)C(=O)OC(C)(C)C 73298935 LHWGAUTUTGYVJN-JQFCIGGWSA-N 432.483 3.328 0 1 IGAF CC(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 82196777 RSHRCSVMMBGBKC-FKBYEOEOSA-N 442.556 3.035 0 1 IGAF O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCCCC2)O1)NCc1ccc(F)cc1 95887199 CEWCLCSAKAWIOS-UARRHKHWSA-N 448.579 3.022 0 1 IGAF O=C(C1CCOCC1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2Cc1ccccc1Cl 95893395 OSVYJHOJTLHNKI-ZLNRFVROSA-N 426.944 3.442 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1cccnc1 95894774 MQVNAEKMMMLYGK-FDFHNCONSA-N 432.455 3.242 0 1 IGAF Cc1ncccc1Oc1ncnc(O[C@H]2C[C@@H]3C[C@@H](F)[C@@H](C2)N3S(=O)(=O)C2CC2)c1C 101417668 JEMAKXAATWANMD-CYGHRXIMSA-N 448.520 3.095 0 1 IGAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@@H](O)CC1 102929037 AGCBXJNKHQWJMV-JOCQHMNTSA-N 431.489 3.116 0 1 IGAF CCNc1nc(Cl)c(Cl)c(N2CCN(CCC3CCC(NC(C)=O)CC3)CC2)n1 114958576 NTEASVXKHYIMOF-UHFFFAOYSA-N 443.423 3.422 0 1 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CC(C)Oc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 653695859 ZVGHDLSDCKYYQR-UHFFFAOYSA-N 436.549 3.435 0 1 IGAF Cc1cc(C)nc(NS(=O)(=O)c2ccc(-n3c(C)nc4ccc(F)cc4c3=O)cc2)n1 653864149 NHNNSBMYVXTBHX-UHFFFAOYSA-N 439.472 3.041 0 1 IGAF COC(=O)[C@]1(CC(=O)c2ccco2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963188127 LTLLHDKDVUBKSP-ADLMAVQZSA-N 445.777 3.192 0 1 IGAF CCN1CCN(c2ccc([C@H]3CN(Cc4c(C)cccc4F)C[C@@H]3N(C)C)cc2)CC1=O 1772602126 GEHKBXSBIMMDPB-NOZRDPDXSA-N 438.591 3.332 0 1 IGAF N=C1NC(=N)N(OCCCOc2cc(Cl)c(Cl)cc2Cl)C2(CCOCC2)N1 1772615136 HEBHUMBSDKUOST-UHFFFAOYSA-N 436.727 3.218 0 1 IGAF CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1cc(N2CCC(O)CC2)nc2ccc(OC)cc12 1772616178 HHNCOZMCXMDPQN-OCSVEGAWSA-N 425.573 3.358 0 1 IGAF O=C(Nc1cnn([C@H]2CCNC2)c1)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 1857541239 MUFFNLSSBZMKEA-INIZCTEOSA-N 432.311 3.187 0 1 IGAF NC(=O)c1cc(-c2ccc(F)cc2)n2nc(COc3ccnc(Br)c3)cc2n1 1857588588 VEIVGBLYCNEWTO-UHFFFAOYSA-N 442.248 3.371 0 1 IGAF O=C(NC[C@@H](Cc1ccccc1)N1CCC(O)(C(F)(F)F)CC1)C1(C(F)(F)F)CC1 1857760859 IIBDKCBCABDETE-OAHLLOKOSA-N 438.412 3.446 0 1 IGAF COc1c(O)c2c3c(c(O)c(CC=C(C)C)c(C)c3c1OC)C(=O)[C@](O)(CC(C)=O)C2=O 2356376282 PYRBNXCKHYFKKU-XMMPIXPASA-N 442.464 3.175 0 1 IGAF CCOC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)CCC(C)C 13488655 TZMDKHIHZYZUIC-JAXLGGSGSA-N 440.625 3.333 0 1 IGAF Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@@H](c2cccc(F)c2F)O1 28974496 ZETKNYMMYZRTLX-YBKRRLQSSA-N 425.332 3.032 0 1 IGAF Cc1ccccc1-n1nc(-c2c(-c3ccc(F)cc3)nn3c2N[C@@H](CO)CC3)ccc1=O 35278194 VBXYJTRDAAYDCJ-GOSISDBHSA-N 431.471 3.387 0 1 IGAF N[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1c1ccc(F)cc1 40492219 CBKGLSWJJCVAAM-YJBOKZPZSA-N 443.425 3.383 0 1 IGAF Cc1cnc(NCc2ccccn2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 89469370 HWPAANNHUOPDBR-OAQYLSRUSA-N 428.496 3.251 0 1 IGAF CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(OC(C)C)cc21 96282233 USVZZTXBOZNNSA-RJGXRXQPSA-N 448.510 3.274 0 1 IGAF Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5 101266695 KMCQRXAYWIILLB-PCWWUVHHSA-N 429.520 3.155 0 1 IGAF COc1ncc2cc(C(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)c(=O)[nH]c2n1 103250294 FOGSRCKIVNMUSS-UHFFFAOYSA-N 449.854 3.485 0 1 IGAF O=C(Nc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C2)cc1)N1Cc2ccncc2C1 166787700 JHAWTTVVQHCFFQ-YADHBBJMSA-N 436.512 3.178 0 1 IGAF O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1 195362319 SYTAHICZQJWNGK-AAXDQBDMSA-N 434.399 3.121 0 1 IGAF CCN(Cc1cccc(C)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 204962042 ZBTKEBHBIWOSGL-UHFFFAOYSA-N 440.569 3.321 0 1 IGAF Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OCC(=O)N6)n3c2)cn1 220173334 ZTJLCACQNPNSHN-UHFFFAOYSA-N 447.455 3.299 0 1 IGAF COc1ccccc1N1CCN(C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@]4(C)[C@H](O)[C@@H]32)CC1 504176473 ZXBPYNJHTIRHRM-BFTZWTAXSA-N 440.584 3.102 0 1 IGAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCNCC1)(c1ccc(Br)cc1)O2 587374910 ZXEYOVLRCQPWNV-NRFANRHFSA-N 430.346 3.106 0 1 IGAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1CSc1nnnn1C 587409554 MIRIPOYAMWTARW-OAQYLSRUSA-N 425.514 3.282 0 1 IGAF CNS(=O)(=O)c1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)o2)cc1 587449030 OGHKUCUCMLIDHZ-ZHRRBRCNSA-N 425.462 3.352 0 1 IGAF CC(C)(C)OC(=O)N1CCOC[C@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586271 IHGQXRJUVLFXKM-KLHJMIIUSA-N 427.453 3.358 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(CS(N)(=O)=O)C3(C)C)N1 587841549 RDOGBDZJIZXOPQ-CLWWGOANSA-N 445.398 3.433 0 1 IGAF COc1ccc(C(=O)C2CCN(C(=O)CCCc3cn4cc(F)cc4c(=O)[nH]3)CC2)cc1 653905728 GMBPALAESNNJFY-UHFFFAOYSA-N 439.487 3.220 0 1 IGAF CCOC(=O)[C@H](C)[C@@]1(CC(C)=O)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962927975 QJIFJOSSUNKQKM-OQHVVPOVSA-N 441.480 3.157 0 1 IGAF CCN1C=C(C(=O)O)[C@]2(NCCc3cc4cccc(OC)c4nc32)c2cccc(OC)c21 963049301 BTVUWAFTCHWWKT-RUZDIDTESA-N 431.492 3.450 0 1 IGAF COc1ccc(CCC(=O)N2CCN(Cc3ccc(O)c4ncccc34)CC2)cc1OC 1857757479 KWLCSVLKPHEPJX-UHFFFAOYSA-N 435.524 3.235 0 1 IGAF COc1ccc(C=CC(=O)O[C@@H]2CCC(C)(C)[C@@H]3[C@H](O)C=C4CO[C@H](O)[C@@H]4[C@@]32C)cc1 2356621670 MMSGKHKMLLCENK-CLKYHPIZSA-N 428.525 3.328 0 1 IGAF O=C(Nc1ccc2c(c1)OCO2)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 205213826 DSEZCLQAIKLHGJ-UHFFFAOYSA-N 440.843 3.173 0 3 IGAF COC[C@@H](C(N)=O)N(C)Cc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC 34642910 LJNUYDJKKBIGJB-KRWDZBQOSA-N 447.898 3.107 0 1 IGAF COC(=O)[C@@H]1C[C@@]2(Br)c3cc(Br)ccc3N3C(=N)C(C)(C)N1[C@H]32 40937134 NYSDFMKKZDPIDT-HZUKXOBISA-N 443.139 3.202 0 1 IGAF Cc1cc(C(=O)NC2CCN([C@@H](c3cncnc3)c3ccc(Cl)cc3F)CC2)[nH]n1 72184906 VXOPEXHNHPAYSO-FQEVSTJZSA-N 428.899 3.284 0 1 IGAF COc1cc(-c2nc3c(NCC(C)C)ncnc3n2CCCN2CCCC2=O)ccc1O 82177829 KEERLJJQWQMAGF-UHFFFAOYSA-N 438.532 3.288 0 1 IGAF Cc1cccc(S(=O)(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3C(=O)c2ccccc2)c1 95893894 LSMGEOPFLFHPJR-SMIHKQSGSA-N 448.544 3.173 0 1 IGAF O=C(C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@H]1CCCO1 100636795 RVMUTQVCKCPIEP-JXALWOEJSA-N 427.589 3.473 0 1 IGAF OCCCCOc1cc(-c2cnn(CCO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143504017 CRCDFUWXQOAWRL-QFIPXVFZSA-N 448.441 3.472 0 1 IGAF NC1=N[C@@](c2cccc(NC(=O)c3cnc(OCCF)cn3)c2)(C(F)(F)F)CCS1 147121091 VMTMMFRWDONPDM-KRWDZBQOSA-N 443.426 3.286 0 1 IGAF CN(C)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 169073352 KXPJEGNVGVZNGX-PUZFROQSSA-N 435.634 3.146 0 1 IGAF CC(C)CS(=O)(=O)N1C[C@@H](C)C[C@H](Nc2ncccc2-c2cnc3[nH]ccc3n2)C1 169142782 AEYKDHHKLLLVCG-HOTGVXAUSA-N 428.562 3.128 0 1 IGAF Cc1c(N)cccc1-c1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2nc[nH]c2n1 169341178 AOGMMPLPRHJTED-UHFFFAOYSA-N 429.484 3.127 0 1 IGAF CS(=O)(=O)Nc1ccccc1Cc1nc2ccc(I)cc2[nH]1 586949841 CMQNYGGLTAODBX-UHFFFAOYSA-N 427.267 3.130 0 1 IGAF COC(=O)C1([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC(OC)(OC)C1 587812739 RWSSMNDQJQPRNM-PIGZYNQJSA-N 430.314 3.280 0 1 IGAF CCOc1cc(CC(C)=O)c(OCC)n1-c1nn(-c2ncccn2)cc1Br 587939267 JKLADENHKXLBRF-UHFFFAOYSA-N 434.294 3.144 0 1 IGAF COc1cc2c(cc1OC)[C@](CC(=O)C(F)(F)F)(c1cnn(C)c1C)N(C)[C@H](C)C2 962622011 IWABXJVAECPLOT-MPBGBICISA-N 425.451 3.387 0 1 IGAF C[C@@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnccc21 1772600960 WHCSVSPVWLJJKT-AWEZNQCLSA-N 449.898 3.445 0 1 IGAF CCN1CCN(Cc2cn(S(=O)(=O)c3ccc(F)cc3)c3ccc(OC)cc23)CC1 1772634553 IUHLPKFOTNBELV-UHFFFAOYSA-N 431.533 3.164 0 1 IGAF O=C1CN(c2ccccc2)C(=O)[C@@H](Cc2c([C@H](O)c3ccccc3)[nH]c3ccccc23)N1 1857540759 IATIFMFDFGBFBA-RCZVLFRGSA-N 425.488 3.324 0 1 IGAF O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 766940 YBWXNVICHDUORZ-PZJWPPBQSA-N 431.895 3.019 0 1 IGAF CC(C)(C)c1ccc(N2C(=O)[C@@H]3C[C@@H](NC(=O)[C@@H](O)c4ccccc4)CCN3C2=O)cc1 3841264 MFAMIYQHFMRVFF-JBACZVJFSA-N 435.524 3.134 0 1 IGAF biogenic Cc1cc2c(F)c(Oc3ncnn4cc(OCCN5CC[C@H](O)C5)c(C)c34)ccc2[nH]1 13684252 QGLWIDUCGVENCV-HNNXBMFYSA-N 425.464 3.204 0 1 IGAF Cc1ccc(S(=O)(=O)NCCC2CCN(C[C@H]3COc4ccccc4O3)CC2)cc1 13813632 KZCXDHLCHUSVLI-FQEVSTJZSA-N 430.570 3.215 0 1 IGAF COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN(C)[C@H]1CCNC1=O 34800019 MOFYSSKDMWISNA-KRWDZBQOSA-N 429.883 3.495 0 1 IGAF O=S(=O)(NC1CCN([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1)c1ccccc1 72101095 UFJHHSDBKBLCCD-JOCHJYFZSA-N 444.507 3.287 0 1 IGAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccco2)C1 82142356 ZRAHNJWHYBAVCY-IKGGRYGDSA-N 425.533 3.089 0 1 IGAF Cc1ncsc1CCn1c(=O)c(NCc2ccoc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82208594 DCZJWLWUWHTSKY-GOSISDBHSA-N 449.536 3.238 0 1 IGAF O=C(C1CCCCC1)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@@H]21 95605428 CFXSFUPMRVHHHN-YTFSRNRJSA-N 440.565 3.131 0 1 IGAF O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1Nc1cccc(OCCCn2ccnc2)c1 103271361 PCRCFPMHQKVAMW-UHFFFAOYSA-N 427.464 3.313 0 1 IGAF CCOC(=O)[C@H](C#N)[C@@H](c1cc2ccccc2n2nnnc12)P(=O)(OCC)OCC 140059499 UKEVZTPESGYJIL-NVXWUHKLSA-N 431.389 3.288 0 1 IGAF CC(C)[C@@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1 147715707 SEQLXXRHDQNPMX-MRXNPFEDSA-N 439.463 3.466 0 1 IGAF Cc1csc([C@H](O)[C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)n1 199435725 KHCAGJNGBONXHY-OXJNMPFZSA-N 425.558 3.181 0 1 IGAF CCOC(=O)[C@]1(CC(N)=O)CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586987923 VIYKQEUVOSVMFZ-VWLOTQADSA-N 430.460 3.164 0 1 IGAF CN(C)S(=O)(=O)c1ccc2nc(C[C@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c2c1 587042125 IBXGPEWOVPOLMF-MRXNPFEDSA-N 436.946 3.122 0 1 IGAF O=C(O)CCN(CCc1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)Cc1ccccc1 587193420 KRIJNFGBVPTZSB-UHFFFAOYSA-N 427.814 3.496 0 1 IGAF CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587799631 SYSSQPHHMQCWMN-LCCAYYTGSA-N 430.314 3.470 0 1 IGAF C[C@@H](c1ccc2nc(-c3cnn(C)c3)ccc2c1)n1nnc2ncc(-c3cnn(C)c3)nc21 1772578117 BURAXRCWILWDCS-AWEZNQCLSA-N 436.483 3.180 0 1 IGAF CC(C)=CCc1c(O)ccc2c3c([nH]c12)C(C)(C)[C@@H]1C[C@@]24CCCN2C(=O)[C@@]1(C3)NC4=O 1772646219 RWBYEKCUNMXINJ-YZYNAAERSA-N 433.552 3.466 0 1 IGAF CC(C)COc1ncc(-c2c3ccc(C(=O)NS(C)(=O)=O)cc3nn2C)cc1Cl 1857549578 LKOQKBPGCHTLFJ-UHFFFAOYSA-N 436.921 3.013 0 1 IGAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCC[C@@]3(C)[C@@H](O)O[C@@H](C[C@@]1(C)O)[C@H]23 2356501541 DOMUYBKPZYQPSE-OLXGMCPUSA-N 434.573 3.246 0 1 IGAF O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc(F)c(Cl)c1)NC1CCCCC1 15936102 QBMBXKRPOPFDEH-UHFFFAOYSA-N 435.883 3.284 0 3 IGAF C[C@@H](OC(=O)c1nc[nH]c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 61958682 JOLKYCVJYRIEKT-OAHLLOKOSA-N 428.489 3.021 0 3 IGAF CCS(=O)(=O)Nc1cc(C(=O)NCCSC)c2c(c1)nc(-c1ccccc1)n2C 12151385 JUMGHMLROYRDLX-UHFFFAOYSA-N 432.571 3.095 0 1 IGAF CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OCC(C)(C)C)CC1 13822799 MYPFKLFJEKBBHF-UHFFFAOYSA-N 432.561 3.417 0 1 IGAF Cc1ccccc1-n1c(CN2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1=O 36382824 LNZVADYKHFXTQO-UHFFFAOYSA-N 428.492 3.245 0 1 IGAF NC(=O)c1ccn(-c2cccc(OC(=O)NCCOCCOc3ccc(F)cc3F)c2)c1 95552075 HJDXXEYRDCOVRG-UHFFFAOYSA-N 445.422 3.038 0 1 IGAF CCOCCN1CC[C@]23Cc4nc5ccccc5cc4C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 103257203 FLSYAXDCNKMVBY-ZONZVBGPSA-N 430.548 3.375 0 1 IGAF COc1ccc(NC(=O)C2CCC(C/N=c3/c(N4CCCC4)c(O)c3=O)CC2)cc1Cl 103902791 NTMPSGMDRUWWRO-PLRJNAJWSA-N 445.947 3.236 0 1 IGAF CN1CCN(CCCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2)CC1 104198483 KLWDHCIQYDSELG-JTHBVZDNSA-N 440.975 3.186 0 1 IGAF Cn1c(=O)c2c(-c3cccc(Cl)c3)n3c(c2n(C)c1=O)[C@@H](c1ccc(Cl)o1)NCC3 209533377 AQRRSZYKWWEJTD-MRXNPFEDSA-N 445.306 3.298 0 1 IGAF CCCCS(=O)(=O)N[C@@H](c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C(C)C 586932510 GLGDNYMHRWSAHZ-OAHLLOKOSA-N 432.550 3.039 0 1 IGAF N=C(N)c1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1 587108471 QVFIGMFCWCLZNK-HNNXBMFYSA-N 437.447 3.392 0 1 IGAF COC(=O)c1ccnc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@H]4C3(C)C)nc12 587239936 OYCZTKSGMVOVOF-ZIACGZRISA-N 430.505 3.300 0 1 IGAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1cc(OC)ccc1OC)CC2=O 587480140 NKJKANFGJLQDSS-XMMPIXPASA-N 442.464 3.355 0 1 IGAF O=C(CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)NCc1ccc(F)cc1 653725552 ILUUXEPPRBUCGF-UHFFFAOYSA-N 431.467 3.328 0 1 IGAF COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCCN1CCNCC1 653849295 NHJZZRYIRFTMKI-UHFFFAOYSA-N 441.507 3.209 0 1 IGAF CCOC(=O)[C@@]1(c2cccc(OC)c2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962715826 PMTFFNMGTGUXGH-XLIONFOSSA-N 441.377 3.259 0 1 IGAF O=C(Nc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1 1857549581 OVHVOYDFVSHVCG-UHFFFAOYSA-N 430.917 3.427 0 1 IGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NCCCO)cc21 1857588409 JEUVWFHZZRISJE-UHFFFAOYSA-N 429.520 3.453 0 1 IGAF O=C([C@@H](O)c1ccc(Br)cc1)N1CCC(Nc2ccc3[nH]ncc3c2)CC1 28891709 NQYWUAZXGFMIIN-IBGZPJMESA-N 429.318 3.462 0 3 IGAF Cc1cc(OCC(=O)NCC2CCC(C(=O)O)CC2)c2c3c(c(=O)oc2c1)CCCC3 2116693 AGHHOCGNUNFUKT-UHFFFAOYSA-N 427.497 3.366 0 1 IGAF biogenic O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4049376 QYUSMFCYDKLBPK-ZCYQVOJMSA-N 429.520 3.380 0 1 IGAF O=C(S[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1cccc(F)c1)c1ccccc1 27311313 WLGHXEUSLXKRDG-MSOLQXFVSA-N 429.469 3.416 0 1 IGAF N[C@H](C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1ccc(Br)cc1 28891749 LBKUIYUPKQWTEX-IBGZPJMESA-N 428.334 3.428 0 1 IGAF CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1C[C@@H](O)COc1ccccc1OC 40763371 GWPHMGZIJLZJPK-QGZVFWFLSA-N 426.469 3.184 0 1 IGAF CCOc1cc(C[C@H]2CO[C@H](O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc2c1OCO2 40936641 PPKABVGOUVBEEX-SRGWNRLKSA-N 446.496 3.206 0 1 IGAF in-vivo C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(-n2cc(Cl)cn2)s1)C(=O)O 48999878 GRSFKJZRDUZQPW-ONUMYQOESA-N 437.930 3.122 0 1 IGAF CCOCCN(CCOCC)C(=O)c1cnc(NCCCOC)nc1-c1ccccc1F 82151213 GOBXLOKRBSEQCR-UHFFFAOYSA-N 448.539 3.246 0 1 IGAF O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccncc1)C[C@H](Cc1ccccc1)N2 82205077 QVIVZSGHLPOFIU-FQEVSTJZSA-N 445.548 3.164 0 1 IGAF CCOCCN(CCOCC)C(=O)c1cnc(NCCCOC)nc1-c1cccc(C)c1 82216779 SPBHLLFXZHBDDD-UHFFFAOYSA-N 444.576 3.416 0 1 IGAF CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)c2csc3c(N)ncnc23)c1Cl 84669481 CUWNPOADOIEKMP-UHFFFAOYSA-N 443.913 3.470 0 1 IGAF O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 95871573 SVZWZQFMECBXMQ-OYRHQHFDSA-N 448.469 3.443 0 1 IGAF Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)nc4-c4ccccc4)C3=O)CC2)n1 96285057 WULGBJRECIPVCK-UHFFFAOYSA-N 445.571 3.298 0 1 IGAF CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@@H]2O5 100660525 OIJXLIIMXHRJJH-FRYCSSCMSA-N 425.569 3.388 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2cnccn2)C1 104554034 UKOVKZHZXBQLHA-KKIGLAAZSA-N 428.577 3.304 0 1 IGAF CC(C)c1cccc(NC(=O)[C@@H]2C[C@H](N)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 205038708 WACJGFHSNNAKPZ-KKSFZXQISA-N 448.527 3.264 0 1 IGAF CCOC(=O)[C@H](C)[C@@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346590 JTEMFDZTGKIGHS-DOYUUMQYSA-N 430.428 3.391 0 1 IGAF Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4sccc34)CC1)CCC[C@]2(C)O 1772582350 FIIKFPYCOKYZNU-DEOSSOPVSA-N 438.597 3.132 0 1 IGAF COc1ccc(S(=O)(=O)N2CCOC[C@@H](Oc3ccc(C(F)(F)F)cc3)C2)cc1 2356595226 XYNDWMRFWDGKLK-KRWDZBQOSA-N 431.432 3.183 0 1 IGAF O[C@@H]1[C@@H](NCc2ccc(OC(F)(F)F)cc2)[C@H]2CO[C@@H](O2)[C@@H]1Sc1ccccc1 2356843268 NKDUGCIXJWXTPJ-ZRSRNVLSSA-N 427.444 3.320 0 1 IGAF CCCCc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)Cc2ccccc2)cc1 61896202 MWCJXQPVVGWISV-QHCPKHFHSA-N 428.554 3.068 0 3 IGAF O=C(NCc1ccc(Cl)cc1)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(S)nc2c1 3631961 NWQDDUHCTMPDDX-INIZCTEOSA-N 429.929 3.448 0 1 IGAF CN(C)c1ccc(C2=NO[C@H](c3ccc(F)cc3Cl)[C@@H]2C(=O)N2CCOCC2)cc1 4045541 AVVPJKPJCNZQHF-TZIWHRDSSA-N 431.895 3.496 0 1 IGAF COCCCNC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccc(OC)cc1OC 4080811 GIGRBVDQGHLIBQ-GGAORHGYSA-N 441.528 3.014 0 1 IGAF COc1ccc(OC2CCN(C(=O)CC[C@@]3(Cc4ccco4)CCC(=O)N3)CC2)cc1 11783322 JZJVGKUWTGAYTH-XMMPIXPASA-N 426.513 3.330 0 1 IGAF CC(=O)N[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)Cc1ccccc1 14637975 UBQCFEASTTXIKB-DQEYMECFSA-N 444.531 3.318 0 1 IGAF biogenic COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1 20586795 CTIVVQXJCPHESZ-HNNXBMFYSA-N 431.539 3.493 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@H](O)[C@@](/C=C/Cc4ccccc4)(CO)C[C@H]4[C@H](C2)N(C)CC[C@]341 26003494 ZWVDVCFMIUCNEM-QDVQFFAASA-N 447.575 3.113 0 1 IGAF COc1cc2c(c(OC)c1O)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CC(C)=O)CC2 29466719 WHCRDQXQNLIIDN-INIZCTEOSA-N 443.521 3.241 0 1 IGAF Cc1cc2c(cc1Cl)SC(NS(=O)(=O)c1ccc(Cl)cc1)=NS2(=O)=O 31910007 FSPSDFKNKUSJDP-UHFFFAOYSA-N 437.351 3.431 0 1 IGAF N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1cccc(F)c1 88260983 BVNAPVIOPJPIJW-DHIUTWEWSA-N 432.561 3.134 0 1 IGAF COc1cc(CO)c(-c2c(C[C@H](C)C(C)=O)cc3c(c2OC)OCO3)c(OC)c1OC 96922558 PNXAJTMQLCCLIC-LBPRGKRZSA-N 432.469 3.377 0 1 IGAF CCOc1cc(CN2CCC3(CC2)NC(=O)NC3=O)cc(OCC)c1-c1ccc(F)cc1 118864373 WILOTRUGSQCRHL-UHFFFAOYSA-N 441.503 3.464 0 1 IGAF CCNC(=O)c1cccc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)c1 142118263 OSYMQEGRXNSZOH-MDWZMJQESA-N 435.505 3.316 0 1 IGAF CCc1nn(Cc2cccc(=O)n2C)c2cccc(NC(=O)c3cnc4ccccn34)c12 169706560 XWABRABCHYJPNA-UHFFFAOYSA-N 426.480 3.246 0 1 IGAF c1ccc(CNCC[C@]23O[C@@]4(CCNCc5ccccn5)[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@@H]2[C@@H]6[C@@H]4[C@@H]23)nc1 253673269 GMOUWTUTWWZURS-GGGCOAOOSA-N 428.580 3.032 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2cnn(-c3ccccc3)c2C)CC(=O)c2cc(C)cc(N)c2O1 587392676 VJDBOTUNUSMOKU-XMMPIXPASA-N 433.464 3.064 0 1 IGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H]1CCCN1S(C)(=O)=O 587860403 VCGUBYZREFFCFG-OAHLLOKOSA-N 432.329 3.320 0 1 IGAF COC(=O)C(=O)C[C@]1(c2ccc3c(c2)OCCO3)c2cc(OC)ccc2CCN1C(C)C 962088917 GXMASYKCZCFHDR-VWLOTQADSA-N 439.508 3.109 0 1 IGAF C[C@H](Oc1ccccc1[C@@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C)C(=O)O 963152165 UMQOWULSAHRNCY-SGIREYDYSA-N 448.497 3.331 0 1 IGAF Cc1[nH]c(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2OC(C)C)c(Cl)c1Cl 1857759862 TZRVMOGDHOAVRQ-UHFFFAOYSA-N 428.272 3.484 0 1 IGAF CC(=O)O[C@@H](C)[C@@H]1CC[C@@]2(O)[C@]3(O)C[C@H](OC(C)=O)[C@]45C[C@@H]4CC[C@]5(C)[C@H]3CC[C@]12C 2356429470 VVZPGBWASVYVEL-DZDSNZNMSA-N 434.573 3.368 0 1 IGAF COc1ccc(CCNC(=O)CCS(=O)(=O)c2ccc3nc(C)sc3c2)cc1OC 15943525 QRMREINOWPQJDU-UHFFFAOYSA-N 448.566 3.145 0 3 IGAF S=C(Nc1ccccc1)N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(C4CCCC4)n3)CO[C@H]12 36368821 LRJNBOKMHVJHHD-MTQWCTHYSA-N 425.558 3.068 0 1 IGAF biogenic COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(OCCF)cc2)CC1 66166620 KIAANALRJGLJFT-UHFFFAOYSA-N 429.536 3.376 0 1 IGAF C[C@@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)NC(=O)c1ccccc1 73297126 OLPSTWWOAPXNKC-CVDCTZTESA-N 430.504 3.389 0 1 IGAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 82196770 AQNNGQUXQTZZPS-QESAQDPVSA-N 442.556 3.035 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)c2ccco2)C1 82199410 PSMFLIKABBLIGO-WOJBJXKFSA-N 444.528 3.056 0 1 IGAF CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)CC)[C@H](C)CO2 95686838 CGCJCZBVFKVEDJ-LZJOCLMNSA-N 447.576 3.168 0 1 IGAF O=C(NC1CCCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3cncnc3)cc1)[C@@H]2CO 95874320 DFXDBLKOJGNHJX-SGNDLWITSA-N 435.572 3.020 0 1 IGAF CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H]2O[C@H](CC(=O)O)CC[C@@H]21 95892772 HJRBVKTVNLVVPO-QRFRQXIXSA-N 439.468 3.186 0 1 IGAF O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(N2CCOCC2)nc1C1CCCCC1 101550087 WOBPMJGMMUTQIX-SKXOYMKRSA-N 440.588 3.030 0 1 IGAF Cn1cc(-c2cc(S(N)(=O)=O)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O 146670964 BNEBGINTLSPUFO-UHFFFAOYSA-N 431.420 3.252 0 1 IGAF COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CC(F)(F)C5)c34)cnn2C)cc1F 169697331 VSPGOIXURXXZFC-UHFFFAOYSA-N 429.406 3.103 0 1 IGAF O=c1[nH]c(Cc2ccccc2-n2ccc(C(F)(F)F)n2)nc2c1cnn2C1CCOCC1 169699894 YPAWAGDXVLAJSB-UHFFFAOYSA-N 444.417 3.266 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)[C@H](CO)c3ccccc3)c2)c2cncnc21 169707885 AHPUHOSKSZCLGY-OAQYLSRUSA-N 429.480 3.353 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@H]4N=C(C(=O)OCC(C)C)[C@@H](C)[C@@H]4C[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169715922 ASPBBPVAKRSZTC-GGPAFYHASA-N 438.568 3.249 0 1 IGAF CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587234989 KIYLRNVYGZPZQJ-ZIAGYGMSSA-N 438.431 3.232 0 1 IGAF O=C1c2ccc(O)cc2O[C@@]2(CNS(=O)(=O)c3ccsc32)[C@H]1c1ccc(F)cc1 587371601 CHZARNKPQQXZDL-PXNSSMCTSA-N 431.466 3.139 0 1 IGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1ncc(Br)cc12 587544818 KTHWFZLFXRGOPX-FOIQADDNSA-N 439.221 3.359 0 1 IGAF COC(=O)[C@H](C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N=O 587588026 RGPVWWNLUQIBCE-XKDCRVNJSA-N 434.404 3.342 0 1 IGAF CCOC(=O)C[C@]1(c2cc(F)c(F)cc2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963223521 BGIBUSXAKBYORV-NFBKMPQASA-N 444.409 3.448 0 1 IGAF Cn1nncc1[C@@H](CC(=O)O)c1ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)cc1 1857775045 OSPCTENLXSMJAS-SJORKVTESA-N 429.860 3.294 0 1 IGAF C[C@]12C[C@@]34C=C[C@H](O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@H](C[C@@H]1C4)O2 1857775213 QONRWVIUXAPTFE-XRLKDISHSA-N 443.496 3.026 0 1 IGAF CCO[C@@H]1OC(=O)C=C1[C@]1(OCC)C[C@]2(C)[C@H](C)C[C@@H]3OC(=O)C4=CCC[C@]2(O1)[C@]43C 2356626695 GLYCHOIOWACMHC-KLQBXDMJSA-N 432.513 3.422 0 1 IGAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@H](NCc2ccccc2F)C[C@H]1O 2356680698 QZYVRJIVZQTLLN-BZRIBIQUSA-N 425.479 3.112 0 1 IGAF CC(=O)N[C@H](Cc1ccc(C(C)C)cc1)C(=O)NC1CCN(c2nc(C)cc(C)n2)CC1 4399669 KSGRTNQHGYGTKP-HSZRJFAPSA-N 437.588 3.049 0 3 IGAF CC(C)(C)CNC(=O)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O 61948782 XWLKZOZRHOEJAP-UHFFFAOYSA-N 426.538 3.440 0 3 IGAF COC(=O)[C@@H]1CCCCN1Cc1ccc2c(c1)CN(C(=O)c1ccc(F)cc1)CCO2 11974374 QPASGHGWKRYROQ-NRFANRHFSA-N 426.488 3.388 0 1 IGAF Cc1ccc(C[C@]2(CCC(=O)N3CCC[C@@H](C(=O)c4cccnc4)C3)CCC(=O)N2)cc1 12217255 VBQKGLSALBODJZ-ATIYNZHBSA-N 433.552 3.483 0 1 IGAF Cn1c(O)c(C2=NN=C(O)/C2=N\Nc2ccc(Br)cc2)c(=O)c2ccccc21 13409444 INJLJTFKDLSXKC-UHFFFAOYSA-N 440.257 3.149 0 1 IGAF biogenic CCC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]([C@@H](C)N2CCCC2)C1 13863715 MTYYYARFZLUVMG-DNVCBOLYSA-N 426.388 3.470 0 1 IGAF COCCCNC(=O)c1ccccc1N1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](C)N2C1=O 15959261 PEEIQSSZPLVYRT-QVKFZJNVSA-N 446.507 3.389 0 1 IGAF biogenic O=C(OCc1ccccc1)[C@H]1CC[C@H]2[C@H]1CC(=O)N2S(=O)(=O)/C=C/c1ccccc1 27518107 MJZSGIMAFAFHOR-XHTVIRLASA-N 425.506 3.358 0 1 IGAF CCN(CC)c1ccc2c(cc1=O)[C@@H](NC(C)=O)CCC1=C[C@H](OC)[C@H](OC)C(OC)=C12 27711415 LIJMGLFRJYNQAJ-APTRMMRNSA-N 442.556 3.192 0 1 IGAF O=C1c2ccccc2OC=C(Cl)N1CCCCN1CCC(O)(c2ncccn2)CC1 28524742 DWLQYHYYOMAXBF-UHFFFAOYSA-N 428.920 3.113 0 1 IGAF Cn1c(CN2CCNCC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc21 40568230 FRYATLNPJMUXSZ-UHFFFAOYSA-N 447.461 3.015 0 1 IGAF COc1ccc(C2=NO[C@@H](c3ccc(C)cc3)[C@H]2S(=O)(=O)CC2=NCCS2)cc1 72118532 YZSPHQAZULQHHU-SFTDATJTSA-N 430.551 3.408 0 1 IGAF CCc1nc(C(=O)N2CCC[C@H](C(=O)NC3CCN(Cc4ccccc4)CC3)C2)cs1 82069512 HBRGGEOOKPNPNX-IBGZPJMESA-N 440.613 3.339 0 1 IGAF O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 100679435 SAHCFCFOKRFDAF-UKIRVEGOSA-N 439.987 3.295 0 1 IGAF O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1ccccc1 101077634 TZGXXSCQCVEASE-UHFFFAOYSA-N 431.473 3.316 0 1 IGAF NC(=O)CCNc1nc2ccccc2n(C2CCN(C3CCCCCCC3)CC2)c1=O 114764627 KFZYMUJMCWXREL-UHFFFAOYSA-N 425.577 3.434 0 1 IGAF COc1cc2c(cn1)nc(-c1cn3c(C)nnc3c(NC(C)C)n1)n2Cc1ccccn1 209315625 UQEASOOHOYLOSE-UHFFFAOYSA-N 429.488 3.117 0 1 IGAF O=S(=O)(NCCc1nc2cc(F)cc(Br)c2[nH]1)c1ccc(Cl)nc1 586942912 SXQOWIJCTAEHPH-UHFFFAOYSA-N 433.690 3.034 0 1 IGAF COc1ccc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c(C(F)(F)F)c1 587098651 WGVMLUTURBGSFN-UHFFFAOYSA-N 448.445 3.007 0 1 IGAF COc1cc2c3c(c1)O[C@@H](c1nc(Br)cnc1Br)[C@@H](C2)C3=O 587416730 DCLMJPPLGALPJG-RMLUDKJBSA-N 426.064 3.499 0 1 IGAF CCCc1c(O)ccc2c1O[C@](CNC(=O)CCC(=O)O)(c1ccc(OC)cc1)CC2=O 587469621 JHZBOYPDGWWWPF-XMMPIXPASA-N 441.480 3.195 0 1 IGAF CCc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)C(=O)N2CC(=O)O 587599058 YXQCSWRCWQHGIA-SQJMNOBHSA-N 445.427 3.243 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794190 GBUCUBJWIWGUSG-WLRWDXFRSA-N 430.314 3.470 0 1 IGAF Nc1c([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)ccnc1Br 962676232 YEZOVBUKXYTNGZ-OXJNMPFZSA-N 427.302 3.163 0 1 IGAF CC(=O)O[C@@H]1[C@H](OC(C)=O)C23CCC(CC2)C[C@@H]3[C@@]23CCC[C@@](C)(C(=O)N4CCO[C@H]42)[C@H]13 2356433318 GZHPXFIYJDGMKK-RFCJUXHASA-N 445.556 3.051 0 1 IGAF COc1ccc(C(=O)O[C@@H]2CC(C)=C[C@H](OC(C)=O)[C@]3(C)[C@H](O)C[C@](O)(C(C)C)[C@@H]23)cc1 2356445638 IVMAFAABATUTOV-PNYBCODSSA-N 446.540 3.277 0 1 IGAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C[C@H](O)[C@H]3[C@@H](C)C(=CC(=O)N(C)CCO)CC[C@H]32)C1(C)C 2356505039 OYEDMBPKXCONKF-WCDCLIKGSA-N 435.605 3.165 0 1 IGAF CC(=CCO)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O 2356568496 MMJYNAIFRKURTQ-KPRKPODVSA-N 440.621 3.162 0 1 IGAF O=C(NCc1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 198623631 GCOANKAZCIXKEI-NHCUHLMSSA-N 439.943 3.252 0 3 IGAF CCSc1[nH]c(Nc2nc(-c3ccccc3)n(-c3ccccc3)n2)c(C(N)=O)c1C(N)=O 1638062 RRGUACWYPKCYKA-UHFFFAOYSA-N 447.524 3.316 0 1 IGAF COc1cc([C@H]2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)c(OC)c(OC)c1OC 15271357 IRGHIHOWMUMHJU-CYBMUJFWSA-N 434.441 3.453 0 1 IGAF biogenic Cc1nc(N2CC[C@@H](NC(=O)c3[nH]c(C)c(Cl)c3Cl)[C@@H](F)C2)sc1C(=O)O 43207354 ZMNDHMPTUZNZRB-DTWKUNHWSA-N 435.308 3.440 0 1 IGAF in-vivo Cn1c(=O)c2c(ccn2CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n(C)c1=O 82154834 DAYPISIIPYEWDK-UHFFFAOYSA-N 446.551 3.145 0 1 IGAF C[S@@](=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12 95595895 RSYSXDBUOKOFIE-HKBQPEDESA-N 436.537 3.291 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H](C)NC[C@@H]1C 95687830 UZOQLJHIBIDYRE-WCJKSRRJSA-N 443.519 3.172 0 1 IGAF Nc1ccccc1NC(=O)c1ccc(N2C[C@H]3C[C@H]2CN3C(=O)CCc2ccccc2)nc1 101144928 OZIQEHMZAWLRBB-LEWJYISDSA-N 441.535 3.338 0 1 IGAF O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](CO)c1ccccc1Cl 144967023 NWUCBNLBJRAMFX-FQEVSTJZSA-N 426.904 3.131 0 1 IGAF CCN1CCCN(C[C@](C)(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S1(=O)=O 223906471 YXBYGUQDLVHTCA-NRFANRHFSA-N 437.512 3.096 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N4CCC[C@@H]4C)c3F)C2)cc1 261186735 XRGRRTSGDHMTQZ-TWOQFEAHSA-N 427.524 3.459 0 1 IGAF O=C(O)[C@H](Cc1ccccc1)N1C(=O)N[C@@H](Cc2ccc(-c3ccnc(F)c3)cc2)C1=O 473153127 YZWUBQSDMIHUDT-PMACEKPBSA-N 433.439 3.047 0 1 IGAF NCCCCN(C[C@H]1CN(C(=O)Nc2ccccc2)CCN1)[C@H]1CCCc2cccnc21 473159817 XQGSBOFMVILXJJ-GOTSBHOMSA-N 436.604 3.006 0 1 IGAF CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587774896 QGDZXSSOLOPQLU-BIBXISHDSA-N 437.309 3.159 0 1 IGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C1=NN/C(=C\c2ccccc2)C(=O)N1 587863513 MJRAWVDJQHMLBU-BOPFTXTBSA-N 427.386 3.457 0 1 IGAF Cc1ccc(C)c(SC[C@@H]2NC(=O)[C@H]3[C@H](C)[C@@H](C(=O)NCc4ccco4)S[C@H]3N2)c1 618013058 NJMAPVCJNQGQRY-IWCLSRSZSA-N 445.610 3.044 0 1 IGAF COc1ccc(-c2nn(C3CCN(C(=O)C4(c5ccc(OC)cc5)CC4)CC3)c(=O)o2)cc1 653729600 QOPFKCRIYYZZHN-UHFFFAOYSA-N 449.507 3.416 0 1 IGAF Cc1ccc(OC2CN([C@H](C)c3nc(O)c4cnn(C5CCOCC5)c4n3)C2)c(F)c1F 1772583809 LSYQDXVHIRJKEF-CYBMUJFWSA-N 445.470 3.294 0 1 IGAF CC(C)Cc1cc(C(=O)Nc2csc([C@@]34CO[C@@H](C)C[C@H]3CSC(=N)N4)n2)nn1C 1772599536 KIDCVTNWJYBYFJ-KQHSUYLTSA-N 448.618 3.219 0 1 IGAF Cc1cc(C)c(CNc2nc(-c3cccc(N4CCOCC4)c3)[nH]c3ncnc2-3)c(O)n1 1857540690 QMOXFEWDDCJBNU-UHFFFAOYSA-N 431.500 3.138 0 1 IGAF COC1=CN(c2ccc(-n3cccn3)cc2F)N=C(c2ccnn2-c2ccccc2)[C@H]1O 1857546889 BDQGYAZWECUVIL-QHCPKHFHSA-N 430.443 3.270 0 1 IGAF CCCc1noc(C2=C(C)CS[C@@H]3[C@H](NC(=O)Cc4ccc(Cl)cc4)C(=O)N23)n1 1857563246 PHGYGLRKQGYFCL-OXQOHEQNSA-N 432.933 3.049 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@H]2Cn2ccc(-c3ccc(F)cn3)n2)c1 1911582939 OMTCPGOATBMMKY-SFHVURJKSA-N 431.475 3.278 0 1 IGAF CC(C)CCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12 2464771 GRICRXVURNRHFV-UHFFFAOYSA-N 433.574 3.257 0 1 IGAF Cc1oc(-c2cccs2)nc1C[S@](=O)CC(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 12469313 QGYSEQCMSZKWQJ-GZRVVXPKSA-N 437.631 3.444 0 1 IGAF COc1cccc(C(=O)NCCCCN2CCN(c3nsc4ccccc34)CC2)c1N 13747191 MDAWBIVBCZPWJB-UHFFFAOYSA-N 439.585 3.219 0 1 IGAF Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cc(F)ccc2F)O1 28974536 XHVBOPHNTXLXJC-MLNJSSBLSA-N 425.332 3.032 0 1 IGAF COc1ccc(-c2cc(C(=O)N3CCN(C(C)=O)CC3)n(-c3cccc(C)c3)n2)c(OC)c1 33668440 NSCJVYFNYAOWEQ-UHFFFAOYSA-N 448.523 3.169 0 1 IGAF CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(Br)s2)C1=O 33989541 KUYGOKWGSHFXJD-ACJLOTCBSA-N 430.327 3.307 0 1 IGAF O=C1CSc2cc(Cl)ccc2N1C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 45339364 RFTVMINYXHUSQZ-LJQANCHMSA-N 436.871 3.236 0 1 IGAF CCOc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)NC2 62224891 JAPRDKNCYQPDDQ-QHCPKHFHSA-N 449.555 3.069 0 1 IGAF Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(=O)C3CC3)CC2)cc1 66136524 QUZXWQMDELKGNV-GOSISDBHSA-N 439.581 3.194 0 1 IGAF CCCCOc1ccc2cc(S(=O)(=O)N[C@H]3CC[C@H](C(=O)O)C[C@@H]3C(=O)O)ccc2c1 72112276 ZAJDNFYQKMWEGW-VDGAXYAQSA-N 449.525 3.251 0 1 IGAF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 82208465 FKYANUQPMHROCJ-FKBYEOEOSA-N 440.540 3.309 0 1 IGAF CCC(=O)N1CC2(C1)CN(Cc1ccc(OC)cc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 95661027 UCDBBRPZLXDMLM-QFIPXVFZSA-N 449.551 3.224 0 1 IGAF CCC(=O)N(C)C[C@@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95708550 KEUFNJAMWLSPPG-SPEDKVCISA-N 439.556 3.146 0 1 IGAF COc1cc(-c2ncoc2-c2ccc(OC)c3c2ncn3CCO)cc(OC)c1OC 96932382 BZSQTXACBIQUHE-UHFFFAOYSA-N 425.441 3.385 0 1 IGAF COc1ccc(CN(C(=O)c2cn(C)cn2)[C@@H]2C[C@@H]3CNC[C@@H]3C2)cc1OC1CCCC1 101322120 CRMAUZQHGCAUDQ-ACDBMABISA-N 438.572 3.391 0 1 IGAF CC(C)N(C(=O)CN1C(=O)[C@@H](N)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 137185921 SNGMAIJHCWVIEO-XMMPIXPASA-N 442.519 3.467 0 1 IGAF CCCS(=O)(=O)Nc1ccc(OC2CCOCC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146788390 BMHGLMHJVWJKHW-UHFFFAOYSA-N 445.541 3.243 0 1 IGAF O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3ccc(F)c(-c4cccnc4F)c3CCN12 149295896 WDNHPVBODHITJV-UHFFFAOYSA-N 432.434 3.182 0 1 IGAF CN(C)Cc1ccc(-c2ccc(-n3c(C[C@@H]4CCN(C(=O)C5CC5)C4)n[nH]c3=O)cc2)cc1 169704597 GQCSMNUCGMSULW-IBGZPJMESA-N 445.567 3.090 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@@H]4N=C(C(=O)OCC(C)C)[C@@H](C)[C@@H]4C[C@@H]4[C@@H](C2)N(C)CC[C@@]314 169715920 ASPBBPVAKRSZTC-BLKPAZIMSA-N 438.568 3.249 0 1 IGAF Cc1ccc(-c2csc(Cn3nc(C[C@H](O)C[N+](=O)[O-])c4ccccc4c3=O)n2)cc1 209647420 ATIVLFNJLUYBNE-INIZCTEOSA-N 436.493 3.057 0 1 IGAF Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)CC3CCOCC3)cc2F)cn1 224788258 BBHNCPDZJIJULW-UHFFFAOYSA-N 428.489 3.127 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCC(C(N)=O)CC1)(c1ccc(Cl)cc1)O2 587379927 YLOIRMNUFNCIFJ-QHCPKHFHSA-N 427.932 3.289 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1O 587407608 DDPCSTGCFQDTKL-BJKOFHAPSA-N 449.415 3.120 0 1 IGAF COc1cccc(C[C@]2(C(=O)O)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963189030 VMOSKVXTGFNPCG-KUHUBIRLSA-N 443.805 3.489 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3cc(Cl)c(Cl)c(Cl)c3)N2C(=O)[C@@H]2CCCN12 963217197 PBYCMIDFGFLONG-HEHGZKQESA-N 425.703 3.217 0 1 IGAF CC(=O)N1CCN(c2ccc([C@H]3CN(Cc4c(C)cccc4F)C[C@@H]3N(C)C)cc2)CC1 1772583294 DLECKXZKHFEHCC-RSXGOPAZSA-N 438.591 3.332 0 1 IGAF COc1ccccc1Cn1cnc2sc3c(c2c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c1cc(CNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc(OC)c1 12479913 DPCQJRAUURASGZ-UHFFFAOYSA-N 437.473 3.011 0 3 IGAF COc1ccccc1N1CCN(C(=O)Cc2c(C(=O)O)[nH]c3ccc(Cl)cc23)CC1 13521901 MOTOTQUKQKHMDB-UHFFFAOYSA-N 427.888 3.419 0 3 IGAF O=C(NCc1ccccc1)c1cc([C@H]2COCCN2C(=O)c2ccc(Cl)cc2)on1 61906555 SPRBITYZGXXSOW-LJQANCHMSA-N 425.872 3.472 0 3 IGAF COc1ccc(OC)c(NC(=O)c2sc3ncnc(N4CCN(C)CC4)c3c2C)c1 9742547 WFYOFUXUJMLSPS-UHFFFAOYSA-N 427.530 3.021 0 1 IGAF COc1ccc(C2=Cc3cc(OC(C)=O)c(OC(C)=O)cc3OC2)c(OC)c1OC(C)=O 14645860 YYEMJFHBOITAIF-UHFFFAOYSA-N 442.420 3.413 0 1 IGAF biogenic COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1CC[C@@H](C)CO 14648354 XILGLRLCQZPKFI-GFCCVEGCSA-N 430.453 3.458 0 1 IGAF biogenic Cc1cc(OCC(=O)N[C@H](CSCc2ccccc2)C(=O)O)c2c(C)cc(=O)oc2c1 15956453 JIRASXDGTYBKEL-QGZVFWFLSA-N 441.505 3.291 0 1 IGAF biogenic CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@@H]1CC(=O)Nc1cccc(O)c1 25432859 BFODQKICPLHSFZ-DLBZAZTESA-N 432.542 3.466 0 1 IGAF biogenic N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N(CCc2cccnc2)CC2CC2)c1 27205505 GTTFLAYZZSTXGU-UHFFFAOYSA-N 445.951 3.013 0 1 IGAF COC(=O)c1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(I)c2)cc1 45229507 SIBBJKDLPOEAMV-FZKQIMNGSA-N 439.293 3.332 0 1 IGAF O=C(c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccc(F)cc1)N1CCOCC1 82139337 DJBBDTHZVHVCHI-UHFFFAOYSA-N 436.443 3.096 0 1 IGAF NC1=N[C@@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@H]1OC[C@H](OCC3CC3)C[C@@H]12 95578271 ZPBOQODCXCRRAT-DYJCROTPSA-N 441.915 3.492 0 1 IGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc5ccccc5c4-n4nccn4)C[C@@H]3C2)n1 116828141 ZQBRHQPBVCQLQD-WOJBJXKFSA-N 439.523 3.036 0 1 IGAF CO[C@@H]1CCC[C@@H](N(C[C@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)C1 223901028 NYTYNQKRYNWVDX-GUDVDZBRSA-N 430.570 3.375 0 1 IGAF CCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 261162710 RDKUYJBFPLYARR-MAUKXSAKSA-N 433.503 3.423 0 1 IGAF COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587398387 GBAWFWLFSHUUND-GWYVQWMCSA-N 430.501 3.242 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2C(=O)c2cc(C(=O)O)c(C(=O)O)cc21 587406086 FLBBKJBEWVWDJC-VWLOTQADSA-N 443.411 3.427 0 1 IGAF COC(=O)[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc2O1 587416792 FNYTXLUYYARUGR-FNXXIHLHSA-N 445.265 3.425 0 1 IGAF COC(=O)C1([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC(OC)(OC)C1 587812736 RWSSMNDQJQPRNM-APPDUMDISA-N 430.314 3.280 0 1 IGAF Cc1nn(C)c(SCC(=O)O)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587848019 VWGBRUTWYWUVJP-ZKANADHPSA-N 428.327 3.430 0 1 IGAF CC(=O)Nc1nc2c(s1)[C@@]1(CC(C)(C)C2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963235999 SMXDNQVCSVFUQS-SBUREZEXSA-N 436.537 3.465 0 1 IGAF CCOC(=O)[C@]1(C[C@H]2OCCc3ccccc32)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963237788 UOVNVGSPYRQBQN-PPJWLVRDSA-N 446.503 3.296 0 1 IGAF CN(Cc1ccccc1)Cc1cn(C[C@@H]2C[C@H]3CCN2C[C@H]3C(=O)Nc2ccccc2)nn1 2356307714 MWJQNZUMAHMKEY-IEZKXTBUSA-N 444.583 3.259 0 1 IGAF CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@H]3C=C(C)C[C@H](CO)CC1=O 2356797517 OAOOMDJOUWPNCG-VBHRESNJSA-N 445.600 3.238 0 1 IGAF Cc1cccc2c1N(C(=O)N1C[C@H](C)N[C@H](C)C1)Cc1c(C(=O)OC(C)(C)C)ncn1-2 13796032 DOQMHNQYZUWGOY-IYBDPMFKSA-N 425.533 3.258 0 1 IGAF NCCNC(=O)[C@H](CNCc1ccc2ccccc2c1)NCc1ccc2ccccc2c1 22924629 QZPYDAAHESFSIR-SANMLTNESA-N 426.564 3.316 0 1 IGAF C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)NCC(C)(C)C)cs4)cc3n21 29127921 JGNZTJUQNULPSL-GFCCVEGCSA-N 439.541 3.430 0 1 IGAF COc1cccc(CNC(=O)N[C@H]2CCN(c3ccnc(Nc4ccc(F)cc4)n3)C2)c1 45324907 BZNPGRGVZQQYTM-IBGZPJMESA-N 436.491 3.446 0 1 IGAF Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCCN3Cc4ccccc4C3)cc2)c1 66136262 NZUAOVNQGWISMA-UHFFFAOYSA-N 449.576 3.219 0 1 IGAF CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)OCCc2ccccn2)cs1 82074125 LHDWWGSXOIFQRZ-UHFFFAOYSA-N 425.510 3.462 0 1 IGAF CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@H](CC)N3)cc1 82208011 FSKRRRJPUJIUKI-IBGZPJMESA-N 438.503 3.412 0 1 IGAF Cc1nn2c(C(=O)O)cc(N3CCOCC3)nc2c1Cc1cccc(C(F)(F)F)c1C 95584465 WKIXYWMHCOJATQ-UHFFFAOYSA-N 434.418 3.491 0 1 IGAF CCC(=O)N(C)C[C@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95708557 KEUFNJAMWLSPPG-NJNPRVFISA-N 439.556 3.146 0 1 IGAF CC(=O)N1CCC(CN2CCC(CNC(=O)c3cccc4[nH]c(C(C)C)nc34)CC2)CC1 96272862 LPYIFDLQYWSXGD-UHFFFAOYSA-N 439.604 3.387 0 1 IGAF O=C(Nc1cc(F)ccc1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1 169701912 YLSGPWDDLCVBAL-UHFFFAOYSA-N 433.447 3.125 0 1 IGAF COCCN1CCCN([C@@H](CN2CCC(N3CCCCC3)CC2)c2ccccc2)CC1 198336662 BSWQGLFZMNZOHI-SANMLTNESA-N 428.665 3.332 0 1 IGAF Cc1onc2c1C[C@@]1(CC2)Cc2ccc(-c3cncc(Cl)c3)cc2[C@@]12N=C(N)N(C)C2=O 201232564 RLRBLMNRTNMYGV-RPWUZVMVSA-N 447.926 3.412 0 1 IGAF COc1cccc(CNC(=O)c2nc(=O)c3c(OCCc4ccccc4)cccc3[nH]2)c1 204232910 LRDPWSZONBEJTO-UHFFFAOYSA-N 429.476 3.483 0 1 IGAF CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)[C@@H]3CC(=O)[C@@H]4c5ccoc5C[C@@H]([C@H]43)[C@@]12C 238773130 SIIXQBYEKXJFAK-BRFJAMOZSA-N 444.524 3.175 0 1 IGAF N[C@@H]1C[C@@H]1c1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccccc2)cc1 261086530 CRXLMFBVWJGNTJ-SMIHKQSGSA-N 429.520 3.246 0 1 IGAF O=C(O)C[C@H]1CC[C@H](c2ccc(C(=O)Nc3nnc(N4CCOCC4)s3)cc2)CC1 261192036 ZNZAQUFTDGTURA-SHTZXODSSA-N 430.530 3.376 0 1 IGAF COc1cccc(CN2C[C@@]34C[C@H](c5ccc(C(C)=O)cc5)[C@@H](C[C@H]3S2(=O)=O)O4)c1 299847664 ADNNVBDJEBAWRS-ODAXIHTASA-N 427.522 3.127 0 1 IGAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Br)cccc3[nH]2)cc1 586945532 INGGYVQEAWXPMF-CYBMUJFWSA-N 436.331 3.450 0 1 IGAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 586946257 IFDRXPREZFYPAL-AWEZNQCLSA-N 436.331 3.450 0 1 IGAF Fc1cccc(Cn2nnc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)c2Cl)c1 587161297 MLLZRAGFNAOKNC-UHFFFAOYSA-N 426.883 3.494 0 1 IGAF CN(C)S(=O)(=O)c1ccc2nc(-c3cc(I)ccc3F)[nH]c2c1 587183347 XIEGMCTZKAYMHN-UHFFFAOYSA-N 445.257 3.224 0 1 IGAF CC[C@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)n1cc(I)c(C)n1 587184632 KAGJHMBZCAFCMD-OAHLLOKOSA-N 437.285 3.374 0 1 IGAF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)cc1 587245179 PVWXQFIGGMUVAK-UHFFFAOYSA-N 430.512 3.454 0 1 IGAF COc1cc2c3c(c1)O[C@H](c1nc(Br)c(Br)n1C)[C@@H](C2)C3=O 587419732 YSFSJGBLUQMXDH-UFBFGSQYSA-N 428.080 3.442 0 1 IGAF CCOC(=O)[C@@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587706215 PHRYXNUREGDFGK-GLEZIHRCSA-N 426.204 3.402 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)NCCNC(=O)OC(C)(C)C 587867794 BJUBGSPNFHNFDJ-UHFFFAOYSA-N 429.399 3.055 0 1 IGAF COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(OC2CCC2)c(Cl)c1 1857605383 DGHAHFNJROJTII-UHFFFAOYSA-N 428.869 3.170 0 1 IGAF N=C(N)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1 1857637540 JQXWHSPGFYOVPN-LJQANCHMSA-N 448.976 3.490 0 1 IGAF CC(C)=C[C@@H]1O[C@@]2(C)CC[C@]3(OC(=O)C=C3C)O[C@]13[C@H]2C(=O)[C@]1(O)[C@@H](C)CC[C@H]1[C@H]3C 2356630864 HKFGMTLUOBHJIK-PFCYYYTESA-N 430.541 3.471 0 1 IGAF C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)O[C@]12CC[C@H](CO)CN2 2356737083 RFENQHCDYDELRG-OZWJFYQTSA-N 445.644 3.230 0 1 IGAF Cc1nn([C@H](C)C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(=O)c2cc3occc3n12 8611165 JCRNRWQQVWLBAP-CQSZACIVSA-N 439.903 3.114 0 1 IGAF Cc1nnc(N2CCN(C(=O)NC(C)C)CC2)c2nn(-c3ccc(Cl)cc3)c(C)c12 9642490 UWMXIHZPLOFKGI-UHFFFAOYSA-N 427.940 3.326 0 1 IGAF Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)OCc4c(ccc5ccccc45)O3)O2)c(=O)[nH]c1=O 26736162 KGWFETRZCYQEIS-PFUDXUENSA-N 442.364 3.186 0 1 IGAF COc1ccc(-c2oc(=O)oc2COC(=O)NCCc2ccc(OC)c(OC)c2)cc1 27550928 LTKYIMJMPTZADB-UHFFFAOYSA-N 429.425 3.395 0 1 IGAF CC(C)(Cc1ccc(F)cc1)NCC(=O)N1C[C@@H](F)C[C@H]1C(=O)c1nnc(C(C)(C)C)o1 28823416 BZVRQLZAQWLPMV-IRXDYDNUSA-N 448.514 3.239 0 1 IGAF N=C(N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(c31)[C@H]1Cc3ccccc3N21 40913557 XAOYRTHHGGFHKY-GOSISDBHSA-N 443.532 3.313 0 1 IGAF CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(=O)N(C)[C@H]2c1ccc(Cl)cc1)C(=O)OC 58506603 WZWCQAIOXPCSJI-WBAXXEDZSA-N 435.952 3.233 0 1 IGAF O=S(=O)(Nc1cncc(-c2ccc3ncc(N4CCOCC4)n3c2)c1)c1ccccc1 71316929 POFAWQBJNGTGFN-UHFFFAOYSA-N 435.509 3.034 0 1 IGAF O=C(NCCN1CCC(C(=O)NCCc2ccccn2)CC1)c1ccc2ccccc2c1 72141673 YAEGUNOFXRRUIP-UHFFFAOYSA-N 430.552 3.036 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3cccc(C)c3)n2)CC1 82145315 VVQICLHVMYBLAZ-PGRDOPGGSA-N 435.572 3.429 0 1 IGAF CCN1CCCN(C[C@@](C)(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S1(=O)=O 148546323 YXBYGUQDLVHTCA-OAQYLSRUSA-N 437.512 3.096 0 1 IGAF Cc1nc(-c2cn3c(n2)-c2cc([C@@H](O)C4CCN(C)CC4)ccc2OCC3)n(C(C)C)n1 204426027 YMOTYUIOSQSYTR-QFIPXVFZSA-N 436.560 3.466 0 1 IGAF Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCC(F)(F)C4)nn3C)nn12 210580105 UNVGETXXYQFUKG-UHFFFAOYSA-N 449.815 3.469 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CCC(F)(F)C4)ncc3F)C2)cc1 261070878 AAJPDTRAHHHONY-KBXCAEBGSA-N 449.477 3.316 0 1 IGAF COc1ccc2c(c1)sc1nc(C(=O)N3CCN(C4CCCC4)C(=O)C3)c(Cl)n12 299852446 SEHAYBDKEXFWEJ-UHFFFAOYSA-N 432.933 3.438 0 1 IGAF CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@H]3CCCO3)cc21 299884789 ULTJLNFYGOFNHJ-SVFBPWRDSA-N 430.545 3.225 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 299887877 ZOWMNIBQMRXVET-NMNUPHIUSA-N 440.540 3.376 0 1 IGAF CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c1Br 586979943 YUOFTQIRIVAXBS-UHFFFAOYSA-N 439.213 3.408 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2c(O)cccc2C(=O)c2cc(C(=O)O)cc(O)c21 587405388 WNYHBAGBCDHUOP-XMMPIXPASA-N 431.400 3.140 0 1 IGAF CN(Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1)S(C)(=O)=O 587610441 XSSDRIIZJMKILX-NQIIRXRSSA-N 429.450 3.080 0 1 IGAF COC(=O)C[C@]1(C(OC)OC)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961750908 QCRMAWVIPRDPBK-HSZRJFAPSA-N 434.533 3.215 0 1 IGAF CC(=O)[C@H](O)[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2[C@]12NCCc1c(C)ccnc12 963086159 JGTJXVZSWLGIHB-INADMSBESA-N 442.515 3.048 0 1 IGAF Cc1cc2c(cc1O)[C@]1(CCCc3ccc(I)cc31)N[C@H](C(=O)O)C2 963490603 LEACXIMUDCJBPS-FXAWDEMLSA-N 449.288 3.484 0 1 IGAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1C[C@H](O)C[C@H]1CO 1772574664 JMLHMSXQNJBYJG-LSDHHAIUSA-N 433.386 3.009 0 1 IGAF COc1ccc2cc3[n+](cc2c1OCCCCO[N+](=O)[O-])CCc1cc2c(cc1-3)OCO2 1772590439 ITVCYDYDYOTTTP-UHFFFAOYSA-N 439.444 3.455 0 1 IGAF COc1cc2nc(NC(=O)CN3CCN(Cc4ccc(F)cc4)CC3)sc2cc1OC 1772648070 FLRCPYHCKKZOHI-UHFFFAOYSA-N 444.532 3.209 0 1 IGAF COc1ccc(C2=NN(c3ccccc3)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1OC 1857649683 SCYCGDJLUWNTQA-JTHBVZDNSA-N 427.460 3.486 0 1 IGAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@H](NCc2ccc(F)c(F)c2)C[C@H]1O 2356416694 BYFWZYIZSOUBFE-ZRGHVXQMSA-N 443.469 3.251 0 1 IGAF CCOc1cc(CCNC(=O)[C@@]2(C)CON=C2c2ccc(N(C)C)cc2)ccc1OC 770246 FFWLRAWJPASZGV-DEOSSOPVSA-N 425.529 3.259 0 1 IGAF COC(=O)[C@@H](NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3)C(C)C 13817472 RWMMCDPDRMGRQF-AOMKIAJQSA-N 437.540 3.475 0 1 IGAF O=[N+]([O-])/C=C(\NC1CCCCCC1)NS(=O)(=O)c1cnccc1NC1CCCCC1 26959469 IJOGTPJHAYUIAZ-HMMYKYKNSA-N 437.566 3.493 0 1 IGAF C[C@@H](N1CNc2cc(Cl)ccc2C1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 29545927 YNQWZACNRFIDSV-MPBGBICISA-N 433.846 3.011 0 1 IGAF COc1cc(C(=O)c2c(N)sc3c2CCN(C(=S)NC(C)C)C3)cc(OC)c1OC 40424930 WKZOOMKQSLIEAM-UHFFFAOYSA-N 449.598 3.228 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@H](CO)CC(C)C 82197088 WBGCHXONIGVKOA-RLLYEXNISA-N 430.589 3.095 0 1 IGAF O=Cc1ccc([C@@H](C2CCCC2)[C@@H]2[C@@H]3C=C[C@@H]4N2[C@]4(O)[C@@H]3[C@@H]2CC[C@@H]3[C@@H](O)CC[C@H]3N2)cc1 85547728 GTODSAFMWHFGPS-SCVOMFPOSA-N 448.607 3.222 0 1 IGAF biogenic,in-vitro CCOC(=O)[C@@]1(C(=O)NCCc2ccc(F)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95597291 QCJXDDFKQKWSRI-KOSHJBKYSA-N 445.487 3.247 0 1 IGAF O=C(Cn1nc(Cl)ccc1=O)Nc1ccc(SC[C@H]2CCCN3CCCC[C@@H]23)nc1 504447832 WKKUCTQQHQCIHS-WBVHZDCISA-N 447.992 3.287 0 1 IGAF biogenic CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccnc(N)c2[nH]1 587219911 PWZQQLZUUWMTQW-MRXNPFEDSA-N 425.489 3.630 0 1 IGAF Cc1nc2nc(O)nc(O)c2cc1[C@@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2C1=O 587562724 JNKSNEZFZQLSPH-RTBURBONSA-N 443.415 3.000 0 1 IGAF Cc1ccc(S(N)(=O)=O)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605351 CFARRWRAVGUDRS-SIKLNZKXSA-N 425.462 3.225 0 1 IGAF COc1ccc(C2CCN(CCc3cnn(-c4nccc5c(O)ncnc45)c3)CC2)cc1 653735583 XAXOYJMMDIYHQF-UHFFFAOYSA-N 430.512 3.347 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccn(-c2ccc(Cl)cc2)n1 1772590064 KVRCKPJAUVKNSX-OGHNNQOOSA-N 428.880 3.195 0 1 IGAF CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCOC)cc1 4041964 IAQAWJHWEVIIPW-GMAHTHKFSA-N 425.529 3.396 0 1 IGAF COc1ccccc1[C@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O 4081407 VPAFVWRFGMKFST-YFVAEKQCSA-N 441.915 3.225 0 1 IGAF CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(CC)c1=O 13678820 BDLFZJSJPYPKOZ-UHFFFAOYSA-N 432.480 3.216 0 1 IGAF CCCCCOC(=O)CC[C@H](NC(=O)c1nccc(OC)c1O)C(=O)OCCCCC 40565733 HHJNVRGETVTDBT-INIZCTEOSA-N 438.521 3.141 0 1 IGAF O=C(Cc1cccc(Cl)n1)Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1 40880313 ONPJRGJAQQIRSO-NRFANRHFSA-N 439.943 3.488 0 1 IGAF Cc1cnc(Nc2nc(-c3ccc(N4CCOCC4)cc3)cc3ncn(C)c(=O)c23)s1 115625106 YBVNULOPVSOQAH-UHFFFAOYSA-N 434.525 3.341 0 1 IGAF CC(C)Oc1ccc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)cn1 142939164 WDXDBZNLHDATCD-FQEVSTJZSA-N 449.507 3.110 0 1 IGAF COC1CCC2(CC1)Cc1ccc(OC(F)(F)C(F)F)cc1[C@@]21N=C(N)N(C)C1=O 201210721 DTCACHDQBPBQGE-QNMGIUOZSA-N 429.414 3.037 0 1 IGAF COc1cc2c3c(c1)O[C@H](c1cn(CC(N)=O)c4ccc(Br)cc14)[C@@H](C2)C3=O 587417485 LCTIUABFODWBHL-QKKBWIMNSA-N 441.281 3.386 0 1 IGAF CCOC(=O)[C@]1(CC(=O)C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587706212 PHRYXNUREGDFGK-ANRSDYALSA-N 426.204 3.402 0 1 IGAF CCOC(=O)c1c(C(=O)OCC)c(OCC)n(-c2cc(O)cc(C(=O)O)c2)c1OCC 587926844 QRCVYASXXTZVFE-UHFFFAOYSA-N 435.429 3.032 0 1 IGAF C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)c3coc(C(F)F)n3)cs2)CO1 1772571220 JVQDIEFSJNEVEV-UFIJUMAVSA-N 429.474 3.212 0 1 IGAF CC(=O)N1CCC[C@H](CNc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)C1 1772647392 FDLMAPIOZIFPBT-GFCCVEGCSA-N 446.957 3.407 0 1 IGAF CCOC(=O)[C@@H]1CCc2c(sc3ncn(CCc4cc(OC)ccc4OC)c(=O)c23)C1 1857597540 YESOMKWNPIOVSW-OAHLLOKOSA-N 442.537 3.386 0 1 IGAF CN[C@H](C(=O)N(C)[C@H](Cc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12)C(C)C 2356715420 JWACXIROMWTVRE-RPWUZVMVSA-N 434.584 3.140 0 1 IGAF COCC(=O)N[C@H]1C[C@@H]2O[C@@H](CO)CC[C@@H]2O[C@@H]1CCc1ccc(-c2ccccc2)cc1 95797178 QUBXIHMWQRPUCU-KJWQXZETSA-N 439.552 3.115 0 3 IGAF CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCOC)cc1 4041958 IAQAWJHWEVIIPW-GGAORHGYSA-N 425.529 3.396 0 1 IGAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccc(Cl)c2)cc1CO 13589016 IJECKDLUGKNGCI-UHFFFAOYSA-N 431.823 3.351 0 1 IGAF COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2C(=O)O)c(C(=O)O)c1 26579444 YWLLEUSTBASKAE-UHFFFAOYSA-N 444.440 3.238 0 1 IGAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc([C@@H](O)C(=O)O)cc1 27870168 RMZFEJHUEFKIBK-WIYYLYMNSA-N 426.469 3.068 0 1 IGAF COc1ccc2cc([C@H](C)C(=O)OCCCCOC(=O)CN3CCN(C)CC3)ccc2c1 29318734 YWODZLCRMGQTGJ-IBGZPJMESA-N 442.556 3.066 0 1 IGAF O=C(O)CCCCCCCCCCC(=O)OC[C@H]1CC[C@@H](n2cnc3c(=O)[nH]cnc32)O1 45283769 QQSZQVOHLVGLES-SJORKVTESA-N 448.520 3.326 0 1 IGAF COC[C@H](Cc1cc(OC)c2c(c1)OCO2)[C@H](COC)[C@H](O)c1ccc(OC)c(OC)c1 85883476 UZBPYMBHWJYLKZ-IUKKYPGJSA-N 448.512 3.242 0 1 IGAF biogenic CC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 95589965 MQFZZRAWHHBMEC-IBGZPJMESA-N 432.467 3.133 0 1 IGAF CCOC(=O)[C@]1(C(=O)NCc2ccc(OC)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95597898 OLSAKKGEDBWFLQ-HOYKHHGWSA-N 443.496 3.074 0 1 IGAF O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 95899364 CUTMPUHEHQEQIE-HJBWUJCXSA-N 442.556 3.259 0 1 IGAF O=C1C[C@H](c2ccccc2Br)C(=O)N1CN1CCN(c2ccccc2F)CC1 103015459 ZJWLDOIFABHKNV-MRXNPFEDSA-N 446.320 3.210 0 1 IGAF CCOc1cccc([C@@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCn2ccnc2)c1 169690259 GMIKCUFMVOKNQU-NHCUHLMSSA-N 435.480 3.225 0 1 IGAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O)[C@](CO)(CCCc2ccccc2)C[C@@H]3[C@@H]1C5 194853211 MMXFDJAANNJTRD-WZCMJXDXSA-N 435.564 3.034 0 1 IGAF CS(=O)(=O)C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360130 LSKULYOJAMRCGZ-UNMCSNQZSA-N 427.453 3.225 0 1 IGAF CCOC(=O)C[C@@]1([C@H]2CCN(C(=O)OC(C)(C)C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437940 MDKJWZFIYXKDAG-ICKUNSISSA-N 445.512 3.392 0 1 IGAF CCCc1c(O)ccc2c1OC1(CC2=O)c2c(N)ccc(N)c2C(=O)c2c(N)ccc(N)c21 587473409 UEVBCKIXCXURDX-UHFFFAOYSA-N 444.491 3.127 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2 587481341 BPLPJVNCLDDSTN-IQWFGDOHSA-N 434.485 3.078 0 1 IGAF COC(=O)C1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC(OC)(OC)C1 587599997 JYALRSSWGKZJPX-UTKZUKDTSA-N 428.437 3.055 0 1 IGAF C[C@@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2ccc(F)c(F)c2F)C1 1772600609 MLYRTIRLHVBHSK-NSHDSACASA-N 449.433 3.125 0 1 IGAF Cc1cnc2c(N3CCOC[C@@H]3C)cc(-c3ccc(NC(=O)N=c4cc[nH]cc4)cc3)nn12 1772656621 MFTQEHAZGRBIEK-KRWDZBQOSA-N 443.511 3.391 0 1 IGAF C=CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(=NCc3ccncc3)[nH]1)COCC2 1857611797 HKDYKERBBRAAQS-UHFFFAOYSA-N 440.507 3.355 0 1 IGAF Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](C(C)C)N2CCc3ccccc3C2)cc1 19211184 KXNUISJJBNGNMP-NRFANRHFSA-N 425.558 3.168 0 3 IGAF CC(C)(C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 61895453 GCDBWYGLLGXESB-NRFANRHFSA-N 434.945 3.114 0 3 IGAF CCOc1cc(OC2CCN(C)CC2)c(F)c([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 3817458 UJHGDHHSUXVKDH-OAQYLSRUSA-N 444.507 3.219 0 1 IGAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 4081409 VPAFVWRFGMKFST-LMNJBCLMSA-N 441.915 3.225 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)NCCOCCO 4152521 CLDRQDDZFLIAFD-ILBGXUMGSA-N 448.519 3.455 0 1 IGAF COc1cc(C[C@H](COC(C)=O)[C@H](COC(C)=O)Cc2ccc(O)c(OC)c2)ccc1O 14694416 DZADNPBYQBBZIK-BGYRXZFFSA-N 446.496 3.259 0 1 IGAF biogenic CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc([C@H](O)C(=O)O)cc1 27870183 RMZFEJHUEFKIBK-GHTZIAJQSA-N 426.469 3.068 0 1 IGAF COc1cc2c(cc1OC)[C@](C)(c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2C 40900417 LYFXEMOEIJEDAX-DEOSSOPVSA-N 441.480 3.296 0 1 IGAF Cc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)cc1 95866363 LJKKNOWVDPDCAP-BFLUCZKCSA-N 426.516 3.473 0 1 IGAF CCN1CC[C@@H](C(=O)Nc2cccc([C@@H](C)Nc3ncnc4c(C(N)=O)cccc34)c2)C1 114345133 SQGDXPPAXDZIBA-NVXWUHKLSA-N 432.528 3.182 0 1 IGAF C[C@]1(F)COC(N)=N[C@]1(C)c1cc(NC(=O)c2nn(CC(F)F)cc2Cl)ccc1F 169702978 FFTNLDBKNPISTD-ZWKOTPCHSA-N 447.820 3.481 0 1 IGAF COc1ccc([C@@]23OC[C@H](Cc4cc(OC)c(OC)cc42)[C@@H]3COC(C)=O)cc1OC 195497864 GVZPMSFHNAIPPW-TVVUZDRGSA-N 428.481 3.346 0 1 IGAF COc1cc(C#N)ccc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 220175418 BCCZTFIOURKUIO-UHFFFAOYSA-N 428.495 3.355 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(Br)c(F)c1F 221676640 RTMNGYGISOLNCX-YGOYTEALSA-N 443.248 3.396 0 1 IGAF COc1ccc(-c2oc(-c3ccncc3)nc2C)cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1 299832414 LVGVNKRRPGAJGC-IYARVYRRSA-N 443.525 3.302 0 1 IGAF CC(C)(C)OC(=O)N(Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C[C@H]1CCCO1 587196990 FYLBYZXWTOSHMB-GOSISDBHSA-N 430.549 3.311 0 1 IGAF CCO[C@@H]1C[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@]12CCCN(C(=O)C(F)(F)F)C2 587423672 YMNZQGOQPVAWGM-CPUXHMLJSA-N 439.430 3.161 0 1 IGAF Cc1nc2n(c(=O)c1CCN1CCN(c3nsc4ccccc34)CC1)CCC[C@@H]2F 1772628828 KQBMPESAVRFKMZ-SFHVURJKSA-N 427.549 3.331 0 1 IGAF C[C@H](Nc1ncnc2[nH]cnc12)C1=Nc2ccccc2S(=O)(=O)N1c1ccc(F)cc1 1857551825 KFTLBCMVGMKBHX-LBPRGKRZSA-N 437.460 3.232 0 1 IGAF C[C@H](NCc1ccc(OCc2ccc(OCCCN3CCCCC3)cc2)cc1)C(N)=O 1857636955 RLRWESOKAYEDTM-FQEVSTJZSA-N 425.573 3.484 0 1 IGAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)NCCN1CCOCC1 2356665216 YJCNHKJGOMEMRR-RBZQAINGSA-N 441.616 3.110 0 1 IGAF O=C(c1ccc(Cn2cnnn2)cc1)N1CCOc2ccc([C@H](O)C3CCCCC3)cc2C1 12077977 USVKWMDHGUBCIC-XMMPIXPASA-N 447.539 3.370 0 1 IGAF COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1OC 14437769 BFDODNWEBMWJIS-JKSUJKDBSA-N 430.453 3.024 0 1 IGAF endogenous,in-man COc1cc([C@@H](O)[C@@H](C)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc(OC)c1OC 26263393 YFUCUIJREZMSCX-QRQCRPRQSA-N 441.528 3.114 0 1 IGAF COc1ccc(/C=C(C(=C/c2ccc(OC)c(OC)c2)/N(C)C=O)\N(C)C=O)cc1OC 28639142 XXDISKZJNUFEHG-YZLQMOBTSA-N 440.496 3.279 0 1 IGAF CN1CCN(C(=O)c2ccc(NC(=O)Nc3cccc(C(=O)N4CCCCC4)c3)cc2)CC1 98085132 ZPDBJFUZOTUALE-UHFFFAOYSA-N 449.555 3.344 0 1 IGAF CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)[C@H](C)OCCN3S(C)(=O)=O 149556962 JCAVFAXJSKCARJ-LBPRGKRZSA-N 432.473 3.456 0 1 IGAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC/C(=C\C(=O)N(C)CCO)[C@H](C)[C@@H]3[C@H](O)C[C@H]2C1(C)C 238746816 OYEDMBPKXCONKF-HRNUJTIVSA-N 435.605 3.165 0 1 IGAF COC(=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 586951235 RNFSAAPMNQXWMD-UHFFFAOYSA-N 428.514 3.282 0 1 IGAF CCOC(=O)CNC(=O)N1CCC(c2nc(C3=NO[C@@H](c4ccccc4)C3)cs2)CC1 653851972 MFZBPEUZFAVYER-LJQANCHMSA-N 442.541 3.461 0 1 IGAF C=CC(=O)N1CC[C@H]2Nc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn3C[C@H]2C1 1772649375 MLNUYJRXHKLHOE-YLJYHZDGSA-N 443.507 3.270 0 1 IGAF CCN1CCCN(c2ncc(-c3ccc4c(N=c5cncc[nH]5)ccnc4c3)cn2)CC1 1857552415 UTKMGUYBIDQSEZ-UHFFFAOYSA-N 426.528 3.179 0 1 IGAF FC(F)c1cncc(-c2nc(=N[C@@H]3CCC(F)(F)C3)[nH]c(=N[C@@H]3CCC(F)(F)C3)[nH]2)n1 1857653673 IYNSADUHPNFIGN-NXEZZACHSA-N 447.387 3.309 0 1 IGAF O=C(NC[C@@H]1OC[C@H](N(Cc2cccs2)Cc2cccs2)[C@H]1O)c1ccccc1 2356302746 XHEICOJWJNPMHY-PCCBWWKXSA-N 428.579 3.370 0 1 IGAF CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC[C@H](C)[C@@]23Cc2c(cc(CO)c(C=O)c2O)O3)C(C)(C)[C@H]1O 2356324799 UDNDJMKIAPVLNW-UFFJORDPSA-N 446.540 3.146 0 1 IGAF Cn1nc(-c2cccs2)cc1[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)CC(C)(C)CC(=O)O 2356862170 UXOIRRYNLNDUSC-GVDBMIGSSA-N 444.601 3.334 0 1 IGAF O=C(NCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@@H]1CCCO1 8716827 OSIKBDFHNSRJFV-FQEVSTJZSA-N 449.507 3.190 0 3 IGAF Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCCN(Cc5ccccc5)CC4)c3c2c1 206492809 QHYLUCDICMKGTI-UHFFFAOYSA-N 430.508 3.186 0 3 IGAF CNC(=S)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 2487776 LTJXKOYCHHRRNX-MJGOQNOKSA-N 449.617 3.040 0 1 IGAF COc1cc(-c2cc(=O)c3ccc(OC[C@H](O)CNC(C)C)cc3o2)cc(OC)c1OC 35861823 VZQTYWGGWGEXAC-MRXNPFEDSA-N 443.496 3.224 0 1 IGAF CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C\c3ccc4ccccc4n3)C(=O)O2)cc1 40401678 QKLKBJXBLVSOJG-JFJNVINNSA-N 432.476 3.219 0 1 IGAF C[C@H]1NCCn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@H](C(=O)O)C4=O)cc21 45257029 CGMMFXNMEFVXNL-BZNIZROVSA-N 431.439 3.287 0 1 IGAF CC[C@H](CO)N1C(=O)N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73224247 ADMQPLKCCKQMAJ-MPCDZSKCSA-N 431.492 3.363 0 1 IGAF CN1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCCCC1 95881244 NGBOBFVXNOLSRZ-NOYUKZMVSA-N 447.579 3.061 0 1 IGAF Cc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)on1 96273469 BDYKSMUJMZUBJL-MZNJEOGPSA-N 433.464 3.321 0 1 IGAF NC(=O)c1nn(CCF)c2c1CCc1cnc(Nc3ccccc3OC(F)(F)F)nc1-2 169687798 ZPROSCYPYBVWCA-UHFFFAOYSA-N 436.369 3.149 0 1 IGAF O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](CO)c1cc(F)cc(Cl)c1 169701517 DZKFJBACCWTQSQ-FQEVSTJZSA-N 444.894 3.270 0 1 IGAF Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1CC[C@H](O)CCO1 205635167 KCJBGIOCTZLHAV-IINYFYTJSA-N 449.483 3.259 0 1 IGAF Cc1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC(O)C2)n[nH]1 224373629 LMPOYJYSFOSTFK-UHFFFAOYSA-N 449.845 3.381 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3nnnn3C)cc2)N1 587761436 UIDKZWZADAPBEW-NSPYISDASA-N 432.297 3.314 0 1 IGAF Cn1cc(-c2cnc(Nc3cccc(Cn4nc(-c5ccncc5)ccc4=O)c3)nc2)cn1 653688581 ZEUQTNFIAHACIS-UHFFFAOYSA-N 436.479 3.288 0 1 IGAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@]21N[C@H](N)N(C(C)(C)C)C1=O 1772571647 PCGPUVWHHPVZPY-DOFKUTCQSA-N 436.394 3.249 0 1 IGAF CCN1CCC[C@H]1CNc1nc(N2CCOCC2)nc(O)c1-c1nc2ccccc2s1 1772635007 ITQKKRAQPIFLFB-HNNXBMFYSA-N 440.573 3.192 0 1 IGAF COC(=O)c1c[n+](Cc2ccccc2)ccc1C[C@@H]1Cc2cc(OC)c(OC)cc2C1=O 1772642125 SZDZCRACSHIWOZ-HXUWFJFHSA-N 432.496 3.424 0 1 IGAF [C-]#[N+]c1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C4(CCC4)C(=N)N3)c2)nc1 1772649765 YVSTWCVYZLMQQU-FQEVSTJZSA-N 441.488 3.157 0 1 IGAF Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5ccc(F)c(F)c5)C4)sc3n2n1 1857593156 AGTDFHKXZUTBAZ-UHFFFAOYSA-N 428.468 3.040 0 1 IGAF COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(/C=C/C(=O)O)c3ccccc23)cc1 1911584091 ILNONRRNTOXPKM-NTUHNPAUSA-N 441.461 3.226 0 1 IGAF COCCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NC3CCCCC3)[C@H](O)[C@@H]2[C@@H]1C 2356313216 VIGZXIACYLGSOA-FBWXYLTKSA-N 436.637 3.416 0 1 IGAF C[C@H](C(=O)N1CCCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@H](C)[C@@H]2[C@@H]1O 2356422245 KJAKCBZONDTXTR-AAFHCCFRSA-N 442.604 3.047 0 1 IGAF CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3C=C(C)C[C@@H](CO)C[C@@H]1O 2356791661 IVHIYFAYONFDBJ-QVRXKZOISA-N 447.616 3.029 0 1 IGAF O=C(Nc1ccc(F)cc1)N1CCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1 8604488 WOLSHNAIICIHSF-UHFFFAOYSA-N 435.438 3.424 0 3 IGAF C[C@@]1(C(=O)NS(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)C/C=C/c1ccccc1 61907515 XCRSFSYYOYPNON-OWLMGLOSSA-N 432.929 3.239 0 3 IGAF COc1cc(NC(=O)c2[nH]cnc2C(N)=O)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 61949452 GGZVCUKMAATQIX-UHFFFAOYSA-N 447.373 3.041 0 3 IGAF CC(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3C(=O)C[C@]12C 27518963 UHWOAYITUVVFCV-GYMVGTFWSA-N 434.529 3.226 0 1 IGAF Cn1c2c(c3cc(C(=O)NCCCC(=O)NC4CC4)ccc31)C[C@@H](C1CCOCC1)CC2 59051184 TUAPMXUWLPZNSB-SFHVURJKSA-N 437.584 3.498 0 1 IGAF O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 100679424 SAHCFCFOKRFDAF-RCQJKQRMSA-N 439.987 3.295 0 1 IGAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2Cl)CCN1C(=O)Cc1ccccc1Cl 61927263 DEHQOPAEELHVCB-LJQANCHMSA-N 441.336 3.032 0 3 IGAF CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C/C=C/c2ccccc2)CC1 72137806 XKYROLPIONQLOC-MECCDNJOSA-N 446.555 3.216 0 3 IGAF C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@H]1CN(C)C 95850695 CUCZIJHOBJDKMN-JKSBSHDWSA-N 440.544 3.112 0 1 IGAF Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1C1=C[C@H](N)[C@@H](O)CC1 140137065 WTOKEDYFEBJMDY-PXNSSMCTSA-N 437.450 3.122 0 1 IGAF CC(C)C[C@H]1COc2cc(N3CCN(Cc4ccccc4F)CC3)ccc2S(=O)(=O)N1 95600075 ULPIJLCFOAXEDZ-IBGZPJMESA-N 447.576 3.233 0 3 IGAF CC(C)n1cnc2c(NCc3ccc(-n4cccn4)nc3)nc(N[C@H]3CC[C@H](N)CC3)nc21 253652062 VVXLHYKOWIXRSV-IYARVYRRSA-N 446.563 3.282 0 1 IGAF C[C@@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 299879847 LIFDBDWKXNIRBE-JFIYKMOQSA-N 439.535 3.103 0 1 IGAF O=C(CCCCCCCc1cn(-c2ccc(N3CCOCC3)cc2)nn1)N=c1cc[nH]cc1 653768453 NEHDMLCPZPOTLC-UHFFFAOYSA-N 448.571 3.443 0 1 IGAF CNS(=O)(=O)c1sccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587838107 BFJANFFNKLEBOT-ABKXIKBNSA-N 433.368 3.356 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)N(CCN(C)C)c2ccc(Br)cc21 587373346 UHKIQZZJGZWEEV-OAQYLSRUSA-N 444.329 3.109 0 1 IGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(S(C)(=O)=O)cc1N1CCOCC1)CC2=O 587490849 ZCKQWAFVZCTFKZ-QFIPXVFZSA-N 445.537 3.291 0 1 IGAF COC(=O)C1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC(OC)(OC)C1 587599995 JYALRSSWGKZJPX-DYESRHJHSA-N 428.437 3.055 0 1 IGAF CC(C)(C)OC(=O)NCCNC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657123 VYVHBVVNOYJPEJ-UHFFFAOYSA-N 444.438 3.424 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N1CCCc3cc(C(=O)O)cc2c31 587793188 QPVPPTWWYIWSPN-LADRHHBVSA-N 445.288 3.357 0 1 IGAF CS(=O)(=O)N1Cc2ccccc2[C@@]2(C1)c1ccsc1CCN2Cc1cccnc1 962998317 VAWURIQYDYGIOM-QFIPXVFZSA-N 425.579 3.220 0 1 IGAF C[C@H](c1ccc(S(C)(=O)=O)cc1)[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962995770 OTUMIVQOYYNDOS-GSNHRHSFSA-N 429.872 3.465 0 1 IGAF COc1ccc(CNS(=O)(=O)c2ccc(N3C[C@H](CC(C)C)NC3=O)cc2)cc1OC 1772572201 RCXFPGBOIOWQIX-KRWDZBQOSA-N 447.557 3.127 0 1 IGAF CN(C)[C@H]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)C1 12162118 SVIVSAFVELBSOP-IBGZPJMESA-N 428.540 3.081 0 1 IGAF COc1cc(C[C@@H]2COC(=O)[C@@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1OC 14437767 BFDODNWEBMWJIS-HZPDHXFCSA-N 430.453 3.024 0 1 IGAF endogenous,in-man CCCCNC(=O)[C@H](C(C)=O)N(Cc1ccccc1Cl)C(=O)C(=O)c1ccccc1 205859848 FTEFHUUNWIXJQR-FQEVSTJZSA-N 428.916 3.425 0 3 IGAF CC(C)CS(=O)(=O)N[C@H]1CC[C@H](Nc2ncc3c(Oc4ccccc4)n[nH]c3n2)CC1 1857574585 RSZGNYLFDBYFMJ-WKILWMFISA-N 444.561 3.444 0 1 IGAF COc1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N2CCOCC2)c(OC)c1 4296605 DOLNNEWACGBJEV-CTNGQTDRSA-N 430.888 3.308 0 1 IGAF COc1ccccc1-c1ccnc(N[C@@H]2CO[C@@H]3[C@@H](NCCCc4ccccc4)CO[C@@H]23)n1 25434448 CDKJSSINNXKKLB-AICRDVKUSA-N 446.551 3.321 0 1 IGAF biogenic CCOCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)CN(Cc1ccccc1OC)C(C)=O 29395042 RXPUNYWZUXXVCS-NRFANRHFSA-N 437.540 3.289 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)NC[C@H]1C 95679394 ZOCREZASRFSTET-HYFFOGBASA-N 431.577 3.299 0 1 IGAF CN(C)C(=O)c1ccc(Nc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)cc1 96282534 HVEMOANMBXRPOK-UHFFFAOYSA-N 435.509 3.245 0 1 IGAF CCC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3cc(C)c4[nH]nc(C)c4c3)CC1)C2 96283398 KZVSHOSTAJTYOA-UHFFFAOYSA-N 448.571 3.482 0 1 IGAF COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 101520951 HCTQTECZEUHBBS-FDFHNCONSA-N 444.443 3.445 0 1 IGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)C(=O)C[C@@]32O)C1 118926749 JIOXQMJNOROPDA-QDZJJDHXSA-N 430.541 3.354 0 1 IGAF CNC(=O)[C@@H](NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1)C(C)(C)C 166728178 JSNQFSXSAGZLRL-LJQANCHMSA-N 426.492 3.264 0 1 IGAF COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(C)c2)CC3)n1 169702310 LWQUHXAZSAMKHS-UHFFFAOYSA-N 429.528 3.461 0 1 IGAF CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 221285964 WMFAWWROFRIALP-UHFFFAOYSA-N 425.510 3.023 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCC(F)(F)C4)n3)C2)cc1 261095465 FHTBWGJEBKBRPF-HNAYVOBHSA-N 431.487 3.177 0 1 IGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(C4=C(C)CC(=O)NN4)ccc3[nH]2)cc1 586937548 GJFVJRZBMFOSKT-CQSZACIVSA-N 439.541 3.062 0 1 IGAF FC(F)c1c(-c2nc3c(I)cnc(Cl)c3[nH]2)cnc2ncnn12 587128855 RUQDOAKFNOEOTG-UHFFFAOYSA-N 447.574 3.258 0 1 IGAF NS(=O)(=O)c1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 587166192 PAAFBPDNGKMEHB-UHFFFAOYSA-N 427.486 3.316 0 1 IGAF CN1CCN(c2ccc3nc(CN(C[C@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c3c2)CC1 587197533 QKWDWCIYVRSGJI-GOSISDBHSA-N 429.565 3.231 0 1 IGAF COc1cccc([C@@H]2[C@@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)c1 587213027 SPWHDHKNNWUOOG-DHIUTWEWSA-N 430.460 3.053 0 1 IGAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(NCC(=O)OCC)cc3)nc2c1 587225238 OCIDTJHRNVDLJJ-UHFFFAOYSA-N 430.530 3.283 0 1 IGAF NC(=O)c1c(O)ncc2c1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587337476 POUHEGSNBPSDED-RDPSFJRHSA-N 434.423 3.322 0 1 IGAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1S(=O)(=O)N1CCOCC1)CC2=O 587491580 LTGJBPRIMUNHOE-HXUWFJFHSA-N 431.510 3.072 0 1 IGAF Cc1c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc2cc(C(=O)O)nn12 587798318 URCGBCUGDWOELV-UGZDLDLSSA-N 433.281 3.435 0 1 IGAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cnc3ccnn3c2)N1C(=O)c1ccccc1 963416189 NHLPKFWWMXXERE-REWPJTCUSA-N 437.459 3.452 0 1 IGAF CN1C[C@H](N=c2[nH]c3cc[nH]c3c(=O)n2C)C[C@H](c2ccc(Cl)c(C(F)(F)F)c2)C1 1857583657 POPPPIOICRXWNP-QWHCGFSZSA-N 439.869 3.256 0 1 IGAF Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOCC4)nc4c3ccn4C)cc2)n1 1857651106 QHGCOSQBGKCSTA-UHFFFAOYSA-N 429.524 3.473 0 1 IGAF CC1(C)C=Cc2c(ccc3c2N=C2C(C)(C)C=CN4C(=O)C5=CCCN5C(=O)[C@@H]4C[C@@]23O)O1 2356650572 KBFQQKDBYAQJJS-QYBDOPJKSA-N 445.519 3.415 0 1 IGAF CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@@H]2[C@@H]1C(=O)C[C@@](C)(O)[C@H]1CC[C@@](C)(OC(C)=O)[C@H]2O1 2356804847 VAQGODVKRFPJFH-HPJVZDRWSA-N 438.561 3.200 0 1 IGAF O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCN4CCC3CC4)c(F)cc2c1=O 13650318 QPRZPTIWPFZPEH-UHFFFAOYSA-N 425.435 3.252 0 1 IGAF CCCCOc1ncc([C@H](C)O)cc1-c1nc(O)c2nn(C3CN(CC)C3)c(CC)c2n1 13973463 RLMYIBANPYJYTP-AWEZNQCLSA-N 440.548 3.265 0 1 IGAF CCC(=O)N(c1ccccc1)C1(COC)CCN(CCN2C(=O)c3ccccc3C2=O)CC1 27988002 XRUWVGMEGYVABH-UHFFFAOYSA-N 449.551 3.207 0 1 IGAF Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2ccc(F)cc2F)O1 28974531 VOCYHUBFCKNORO-ONSXPEOJSA-N 425.332 3.032 0 1 IGAF CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2cc[n+](C)c(F)c2)n2c1CCC2 29408979 URGYHKBZIDYRLG-UHFFFAOYSA-O 447.531 3.334 0 1 IGAF CC(=O)O[C@H]1C[C@@H](CN(C)C)[C@]2(C)CC(=O)[C@H]3CO[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O 40810733 RUUVSDJOLFLHAT-IEKGVNQYSA-N 431.529 3.041 0 1 IGAF O=S(=O)(c1ccccc1Br)n1ccc2c(CN3CCNCC3)cccc21 43196744 KZPBHYJYXRXJHV-UHFFFAOYSA-N 434.359 3.046 0 1 IGAF O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCNCC1 72176369 WFASZPBKHLDUHV-HXUWFJFHSA-N 434.367 3.132 0 1 IGAF COc1ccc(C(=O)N2CC[C@H](N3CCC(C(=O)c4ccc(F)cc4)CC3)[C@@H](O)C2)cc1 72182613 YURPUYMRNJWRML-GOTSBHOMSA-N 440.515 3.005 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@H](C)N(C)C[C@@H]1C 95668407 PKUVVKWKOXMSIX-HOIFWPIMSA-N 431.577 3.251 0 1 IGAF O=C(NCCCn1ccc(=O)[nH]c1=O)C(c1ccccc1)(c1ccccc1)c1ccccc1 96283125 ACHGSTRZZKBPEE-UHFFFAOYSA-N 439.515 3.078 0 1 IGAF O=C(NC1(C(F)(F)F)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cncc(F)c3)nc12 169704194 NRXYESAXZCGGAF-OAHLLOKOSA-N 434.397 3.430 0 1 IGAF COCCN1CCN([C@H](CN2CCC(N3CCC(C)CC3)CC2)c2ccccc2)CC1 198330073 BYWHUJJZGCVXDG-AREMUKBSSA-N 428.665 3.188 0 1 IGAF Cn1cnc(S(=O)(=O)N2C[C@H](c3ccccc3F)[C@@H](Nc3cccc(Cl)c3)C2)c1 220539857 QRJOWYRVEKGFJV-MJGOQNOKSA-N 434.924 3.481 0 1 IGAF COc1ccc2c(c1)O[C@@H](C)CN(CC(=O)NC[C@H](c1cccnc1)N1CCCCC1)C2 299872916 HTPZQLPQZUCOBI-WMZHIEFXSA-N 438.572 3.017 0 1 IGAF CC(C)Cc1ccc(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)cc1 299881847 OTLFXMCHEADTJH-ZVDOUQERSA-N 429.586 3.243 0 1 IGAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586936131 HJWWIHGZVIZYGC-SFHVURJKSA-N 434.905 3.223 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C(=O)OC)CN(C(=O)OC(C)(C)C)C1 587473953 AVBPCPYDZMEDPO-FATZIPQQSA-N 433.501 3.479 0 1 IGAF CCCc1c(O)ccc2c1O[C@](CC)(c1c(C)nn(CCS(C)(=O)=O)c1C)CC2=O 587485881 JTUKNOWHBKHAOP-QFIPXVFZSA-N 434.558 3.473 0 1 IGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)C(O)O 587548449 URFNYEOQPGFTEL-UTKZUKDTSA-N 443.249 3.323 0 1 IGAF O=C(NCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)c1cccs1 587658228 MGTJYBMMLNHTDH-UHFFFAOYSA-N 425.416 3.473 0 1 IGAF O=C(O)COc1ccccc1CN1C[C@@H](c2ccc(F)cc2)[C@@]2(CCCCC(=O)N2)C1 618016764 ADKKUUBZEMZEQL-GBXCKJPGSA-N 426.488 3.318 0 1 IGAF COC(=O)[C@]1(CC(=O)c2ccco2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963188135 LTLLHDKDVUBKSP-BBATYDOGSA-N 445.777 3.192 0 1 IGAF O=C(NCc1ccc(Cl)cc1Cl)N1C[C@H]2CN(S(=O)(=O)c3ccccc3)[C@@H]2C1 1772624464 SNDOPLDGRCNUQN-KBXCAEBGSA-N 440.352 3.208 0 1 IGAF CC1=C[C@H](CNC(=O)COCC(=O)O)[C@@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 2356286638 JRDAHUAIZVVCGE-IPMKNSEASA-N 427.545 3.188 0 1 IGAF CCOC(=O)[C@H](C)[C@@H]1CC[C@H](C[C@H](CC)OC(=O)[C@H](C)[C@@H]2CC[C@H](C[C@H](C)O)O2)O1 2356588679 ZVKREMVFSQFIJJ-GAJPOIFQSA-N 428.566 3.400 0 1 IGAF CCOC(=O)N(C)c1c(CC)nc2c(OCc3ccc(S(C)(=O)=O)cc3)cccn12 61928975 LAFDJHUACZCSLH-UHFFFAOYSA-N 431.514 3.472 0 3 IGAF O=C([C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12)N1CCN(c2ccccn2)CC1 2466628 SIZDSIMGIITMOV-JWQCQUIFSA-N 438.531 3.267 0 1 IGAF O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(F)cc1Cl 4055181 MWIBJNVGODZUBK-HKUYNNGSSA-N 441.286 3.349 0 1 IGAF N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H]1c1ccccc1 9132722 FJHKBXPXIQCCFE-CRAIPNDOSA-N 425.435 3.244 0 1 IGAF O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1 13560122 ZWLNTIYBKQAWAA-UHFFFAOYSA-N 434.378 3.281 0 1 IGAF O=C(NCCc1c[nH]c2ccc(O)cc12)N1CCN(Cc2ccc3ccccc3n2)CC1 49051354 SWLPZDSHBZDWFT-UHFFFAOYSA-N 429.524 3.492 0 1 IGAF CC(=O)Oc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1 72125186 JJVIZYYWELEUHH-UHFFFAOYSA-N 425.388 3.131 0 1 IGAF CC[C@@H](C)NC(=O)c1cnc(NCCCOC)nc1-c1cc(OC)c(OC)c(OC)c1 82144183 DZSVDKBOLSWXOJ-CQSZACIVSA-N 432.521 3.146 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCc1ccc(OC)c(OC)c1 82199152 JEXSBVQUBGWAND-XGJJRQPBSA-N 432.561 3.115 0 1 IGAF CCCN(C)C[C@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C 95708251 OAEFJTIHAXTXFK-DNVFCKCGSA-N 446.613 3.464 0 1 IGAF CCCN(C)C[C@H]1Oc2ncc(-c3ccccc3F)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95714943 CVNRQWBSKQLJPT-GSHUGGBRSA-N 429.536 3.450 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)c2ccccc2)C1 95795967 XLGOHORRQDQTSC-JOCHJYFZSA-N 431.536 3.329 0 1 IGAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@@H]1CN(C)Cc1ccccc1 95838457 GITVYJRSHAAVMX-DNVFCKCGSA-N 425.573 3.105 0 1 IGAF CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CC2)[C@H](CO)N3C)cc1 95877402 UPHFDVAFUAXKMK-OYDLWJJNSA-N 433.552 3.166 0 1 IGAF CC(C)(O)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1 96175487 POHQUUOCKVNYNZ-UHFFFAOYSA-N 429.484 3.263 0 1 IGAF CN1CCN(C(=O)c2cccc(N3C(=O)N[C@H]4C[C@@]3(C)Oc3ccc(Cl)cc34)c2)CC1 101379597 VHMFWWFEMPQDBZ-WMZHIEFXSA-N 440.931 3.497 0 1 IGAF COc1c(CF)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 103300682 GTBDWQOMSPIXPG-KRWDZBQOSA-N 431.460 3.341 0 1 IGAF Cn1cc(-c2cc(C(=O)N3CC[C@H](O)C3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144826937 PPDJXPVFVJUSRU-NYHFZMIOSA-N 443.425 3.073 0 1 IGAF NC(=O)COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12 219011840 MMAACNMLSNUPDF-UHFFFAOYSA-N 439.479 3.027 0 1 IGAF COc1cc(C)cc(-c2c(-c3cc(N4CC(O)C4)nc(-c4cccnc4)n3)cnn2C)c1 299839994 UILRIZCBFLTRJL-UHFFFAOYSA-N 428.496 3.104 0 1 IGAF COc1ccc([C@H]2[C@@H]3COc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)cc1 299869882 VOHLZLMXJGAAHT-OFNKIYASSA-N 435.505 3.317 0 1 IGAF O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 299875643 DFWPLFRCNNLWHX-QRFRQXIXSA-N 429.879 3.356 0 1 IGAF CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3cc(C)cnc3[nH]2)cc1 586933360 QDCVQJSOJIZZMW-UHFFFAOYSA-N 449.492 3.010 0 1 IGAF O=C1CCc2cc3nc(CCNS(=O)(=O)c4c(Cl)cccc4Cl)[nH]c3cc2N1 586943121 WBDZXQWOOGDGBB-UHFFFAOYSA-N 439.324 3.275 0 1 IGAF COc1ccc([C@H]2[C@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)cc1 587212241 MFVVLEOQHOOKCB-GOTSBHOMSA-N 430.460 3.053 0 1 IGAF COC(=O)[C@H](C[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N=O 587776843 YQCBBEYLGSWLJN-AHYKXKOGSA-N 436.281 3.459 0 1 IGAF CCOC(=O)C1C[C@H]2CC3(C[C@@H](C1)N2)N[C@@H](C)Cc1cc(Br)c(F)cc13 587794725 PJMARYBVAJWCTG-WCLSURKFSA-N 425.342 3.411 0 1 IGAF CCS(=O)(=O)N1CCC(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)CC1 587863194 DTJYAXHITGFKKK-UHFFFAOYSA-N 445.463 3.279 0 1 IGAF Cc1cc(C)n(CC(=O)N2CCC3(CCCCCOc4ccccc4C(=O)NC3)CC2)n1 618017319 OEIXPFRPHXJXGH-UHFFFAOYSA-N 438.572 3.492 0 1 IGAF CCOC(=O)COc1ccccc1[C@@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972514 JCFNRQGSJJBTRB-YCRPNKLZSA-N 439.842 3.423 0 1 IGAF 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COc1ccc(CCNc2ncc(C(=O)N3CCOCC3)c(-c3ccccc3F)n2)cc1 82151232 LSTONHIBMZKRRV-UHFFFAOYSA-N 436.487 3.418 0 1 IGAF CC(C)S(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CC1 95582617 ZPPSVALBWXRRHU-UHFFFAOYSA-N 426.542 3.274 0 1 IGAF O=C(c1ccccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO 95871571 SVZWZQFMECBXMQ-CUYJMHBOSA-N 448.469 3.443 0 1 IGAF O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO 95906935 MUASOPIRAYEFMY-LSTHTHJFSA-N 449.910 3.329 0 1 IGAF CS(=O)(=O)NC1CCN(c2cc(-c3ccc(C(F)(F)F)cn3)c(Cl)cn2)CC1 145297720 XIYMYBJMZYKIQW-UHFFFAOYSA-N 434.871 3.334 0 1 IGAF CCOc1cc([C@H]2NC(=O)N=C(c3cnn(C)c3)[C@H]2c2ccsc2)cc(C(=O)O)c1O 169702737 DPYAPXGKXDSLIM-DLBZAZTESA-N 440.481 3.322 0 1 IGAF O=C(NCCN1CCC2(CC1)C(=O)NC[C@H]2c1ccc(F)cc1)c1cnc2ccccc2c1 198378364 BAHMBPJZGYBLIO-QFIPXVFZSA-N 446.526 3.100 0 1 IGAF CC(C)(O)c1coc(Cn2ncc(NC(=O)c3ncoc3-c3cccc(Cl)c3)n2)n1 200098736 KAVTXLDNQVIPDJ-UHFFFAOYSA-N 428.836 3.103 0 1 IGAF COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC2(Cc3ccccc3C2)c2ccc(Cl)cc21 219001720 LSUUOTSIQAKOJE-DYESRHJHSA-N 439.987 3.032 0 1 IGAF CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 261171817 TWTKUCSHDGYPHU-IRJFHVNHSA-N 447.567 3.321 0 1 IGAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC 299887986 ZSKGJGGEKNTERH-UGVFLIPWSA-N 439.556 3.376 0 1 IGAF O=C(c1ccccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](COc1cnc3ccccc3n1)C2 473180300 JXQOMGQEVBBYNR-WWMYMODYSA-N 426.480 3.283 0 1 IGAF Nc1ccccc1-c1ccc(-c2nc3cc(C(=O)N4CCN(CCO)CC4)ccc3[nH]2)cc1 587249109 HCBWMROGGYEKES-UHFFFAOYSA-N 441.535 3.229 0 1 IGAF COC[C@@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 2356286404 RAJQQJRACXRLIA-QIJZPMMNSA-N 439.522 3.256 0 1 IGAF O=C(Nc1ccsc1)O[C@@H]1CO[C@@H]2[C@H](Nc3nccc(-c4cccs4)n3)CO[C@@H]12 2356815118 COXPQKUYBDXOFQ-SRABZTEZSA-N 430.511 3.462 0 1 IGAF COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2cccnc2)cc1 13443054 JZCHSDMDWRLIOG-OPAMFIHVSA-N 430.508 3.183 0 1 IGAF 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CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 587486342 XKSSOAGDUCOMBO-GBHDBEGYSA-N 434.485 3.077 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C(O)O)N1 587676696 FLHLZODNSZODFP-XLFHBGCDSA-N 445.126 3.439 0 1 IGAF CCCN1CCN(c2ncc(-c3ccc4c(N=c5cncc[nH]5)ccnc4c3)cn2)CC1 1857540274 LVVGHCDDFRBTEX-UHFFFAOYSA-N 426.528 3.179 0 1 IGAF O=C1c2ccccc2S(=O)(=O)N1CCCCCCN1CCN(c2ccccc2)CC1 1857592323 QVJYNGNHBJDXQY-UHFFFAOYSA-N 427.570 3.214 0 1 IGAF CCO[C@@]12C[C@H]3[C@@H](CC[C@H]4[C@]5(C(=O)OC)CCC[C@@]34[C@@H](OC)OC5)[C@@H](C)C1=CC(=O)O2 1857743414 WEBYMNDFYQNFAA-IJVCVWLASA-N 434.529 3.217 0 1 IGAF O=C(Cc1ccc(OCC(F)(F)F)nc1)N=c1ccn(Cc2ccc(F)c(F)c2)[nH]1 1857760510 JQAPPDSVWXLUJA-UHFFFAOYSA-N 426.345 3.149 0 1 IGAF COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1 8690889 WYHNJWWUOQMQFU-UHFFFAOYSA-N 436.533 3.372 0 3 IGAF O=C(NCc1ccccc1F)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 790455 SNSRNUZDNUVTMJ-DENIHFKCSA-N 440.519 3.112 0 1 IGAF CCc1ccc([C@H]2CN3C(=O)CN(CCOC)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 2132233 USICYNKDAKWPGV-FQRUVTKNSA-N 431.536 3.408 0 1 IGAF biogenic CCOc1cccc(-c2onc(-c3ccc(OC)cc3)c2C(=O)NCCOCCO)c1 2480997 BSKBCDZHOJPFKR-UHFFFAOYSA-N 426.469 3.155 0 1 IGAF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC 4045178 ZSKGJGGEKNTERH-LZCSOMGFSA-N 439.556 3.376 0 1 IGAF CC(C)=CCc1ccc(O)c(C=O)c1C(=O)c1cc(C)cc(OC[C@@H](O)C(C)(C)O)c1O 14721441 AXMCRMUBMNEKLN-OAQYLSRUSA-N 442.508 3.469 0 1 IGAF biogenic,in-vivo Cc1cc(NC(=O)C2CCN(C(=O)c3cnn(-c4ccccc4)c3-n3cccc3)CC2)no1 20416047 PKJMQEMCLXBDRM-UHFFFAOYSA-N 444.495 3.450 0 1 IGAF CN1C(=N)N[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cncnc3)c2F)C1=O 45245101 GYXAUJZSDKKZRQ-FQEVSTJZSA-N 445.376 3.421 0 1 IGAF CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OC[C@H]2CCCN2C)cs1 82071856 VZEBYHVCVVCANJ-IEBWSBKVSA-N 447.626 3.375 0 1 IGAF CNc1c(Br)cnc2[nH]c(-c3ccc(OCCN4CCOCC4)cc3)nc12 84633990 RGFQESUIRAABIE-UHFFFAOYSA-N 432.322 3.140 0 1 IGAF Cc1cn(CCCCCCSCCCCC(F)(F)P(=O)(O)O)c(=O)[nH]c1=O 84653250 UAAYWCSMROQACZ-UHFFFAOYSA-N 428.438 3.079 0 1 IGAF COc1ccc([C@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC 110824942 QHNMPJQHFQIHHW-CVEARBPZSA-N 443.506 3.081 0 1 IGAF COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1 139405228 RPCDSEFBTAUOHG-IRXDYDNUSA-N 435.528 3.151 0 1 IGAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CNCCC(=O)O)cc2C)ncn1 143311770 UBPZNFKIENWXRN-UHFFFAOYSA-N 425.533 3.228 0 1 IGAF CCOC(=O)Cc1csc2nc(-c3cccs3)nc(NN3C(=O)C=C(C)C3=O)c12 169349386 VWZSYXDONRXWOK-UHFFFAOYSA-N 428.495 3.167 0 1 IGAF Nc1ccccc1[C@@]1(C[C@@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329960 AZIAVXBQOFNHGJ-ZILOHOTNSA-N 436.439 3.170 0 1 IGAF CCOC(=O)CC[C@@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599331 WTRRSKPMODHAGK-OFNKIYASSA-N 428.437 3.389 0 1 IGAF CCOC(=O)C(=O)NC[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587753477 HGCCFTCABRNAKF-YEJXKQKISA-N 449.320 3.045 0 1 IGAF CC(C)c1nn(C)c2c1[C@@H](c1ccc(N3CCN(Cc4ccccc4)CC3)nc1)NCC2 962923220 YPGNUVLQEMBWGI-AREMUKBSSA-N 430.600 3.496 0 1 IGAF C=CC(=O)N1CC[C@@H]2[C@H](CNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)C1 1772612748 STKAJAXFRAFMLO-YLJYHZDGSA-N 443.507 3.442 0 1 IGAF Cn1c([C@@](O)(c2ccccc2)c2cccc(C(=O)NCCO)c2)nc2ccc(Cl)cc21 1857594475 YLKSZBOSGZRUGF-XMMPIXPASA-N 435.911 3.233 0 1 IGAF COc1cc(Nc2ncc3c(n2)N(C)c2ccccc2C(=O)N3)ccc1N1CCN(C)CC1 1911577626 PQYJKOZIGSXQBB-UHFFFAOYSA-N 445.527 3.314 0 1 IGAF CC=C(C)C(=O)O[C@H](C)[C@](C)(O)C(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 2356461205 YDSKNOVPIQXATI-OSDILXSKSA-N 444.480 3.067 0 1 IGAF CC(=O)OC[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 2356748446 GQZLXTLYIXYZIJ-BJKOFHAPSA-N 430.504 3.448 0 1 IGAF Cc1cccc(NC(=O)c2[nH]cnc2C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)c1 36387742 XOENTYLVYGIGJM-UHFFFAOYSA-N 427.505 3.100 0 3 IGAF CCCn1c(-c2ccc(F)cc2)nc2c(N3CCN(CCn4ccnc4)CC3)nc(C)nc21 36384596 AFJLUOMRJGCNEK-UHFFFAOYSA-N 448.550 3.370 0 1 IGAF O=C(Nc1cnc2[nH]ccc2c1)c1c(F)ccc(NS(=O)(=O)CC(F)(F)F)c1F 72179318 SKBJYHCBLQOWPM-UHFFFAOYSA-N 434.346 3.397 0 1 IGAF NCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 82080934 KVXRQDNLCZWDTM-NRFANRHFSA-N 429.476 3.338 0 1 IGAF CC(=O)N1CCN(C(=O)c2cnc(NCc3ccc(C)o3)nc2-c2ccc(F)cc2)CC1 82140367 BYVIMFQTLAIOIP-UHFFFAOYSA-N 437.475 3.101 0 1 IGAF Cc1nn(C)c(C)c1-c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(CO)c3)nc2n1 142426819 DBULZPGRICTSBL-HNNXBMFYSA-N 444.539 3.427 0 1 IGAF O=C(Nc1ccc(F)cc1C(=O)N1CCC1)c1nc(C2CC2)cnc1Nc1cncnc1 169701915 BXTXRBORNVEZHZ-UHFFFAOYSA-N 433.447 3.125 0 1 IGAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCO[C@@H](Cc5noc(C(F)F)n5)C4)c23)c1 224889020 MACFGBHDXKXMCB-AWEZNQCLSA-N 437.410 3.265 0 1 IGAF N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 261073917 ANMYGYZKOMNFMD-XEZPLFJOSA-N 446.495 3.126 0 1 IGAF CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587574104 ARKJIAYIQSGZHG-LVJZWUNYSA-N 448.475 3.417 0 1 IGAF CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587581590 IHGQXRJUVLFXKM-FPDPHYFHSA-N 427.453 3.358 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cccc(S(C)(=O)=O)c1 587869531 JWDUBTUVTZNYCO-UHFFFAOYSA-N 425.388 3.065 0 1 IGAF C[C@H]1C[C@H]2CSC(=N)N[C@@]2(c2nc(NC(=O)c3nc(C(F)F)co3)cs2)CO1 1772611072 AUFMLGTWSVZIJK-UFIJUMAVSA-N 429.474 3.212 0 1 IGAF CC(=O)N1CCN(C(=O)c2ccc(-c3cn4c(-c5ccc(O)cc5)cnc4cn3)cc2)CC1 1857639496 KJZWOUQMPQCYIK-UHFFFAOYSA-N 441.491 3.073 0 1 IGAF O=Cc1ccc([C@H](C2CCCC2)[C@@H]2[C@H]3C=C[C@H]4[N@]2[C@@]4(O)[C@@H]3[C@@H]2CC[C@@H]3[C@@H](O)CC[C@@H]3N2)cc1 2356779948 GTODSAFMWHFGPS-ZVFBMFAVSA-N 448.607 3.222 0 1 IGAF COc1ccccc1NC(=O)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1 4956486 OQOIRLLAYYSGJJ-UHFFFAOYSA-N 425.529 3.139 0 3 IGAF CCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C\c2ccc(OC)cc2)CC1 8828545 PQRNBESGVYPMHS-YFHOEESVSA-N 447.557 3.089 0 3 IGAF COc1ccc(NC(=O)[C@]2(C)Cc3c(-c4cccc(C(N)=O)c4)ccnc3O2)cc1OC 61931003 RRSHRXQWPOIXFE-DEOSSOPVSA-N 433.464 3.197 0 3 IGAF O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccc(F)cc1 95599495 RQROTRKTOCJPTC-JOCHJYFZSA-N 443.438 3.318 0 3 IGAF O=C(Nc1ccc(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2)cc1)c1ccc(F)cc1 1618921 IOEALHKIPHQKEL-LJQANCHMSA-N 428.441 3.182 0 1 IGAF CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@H](O)CC)cc1 4039085 IYROSSQKHJXFCZ-LSWJPFSZSA-N 425.529 3.130 0 1 IGAF CC1=C(C(=O)N2CCOc3ccc(CN4CCN(c5ccccc5)CC4)cc3C2)OCCO1 12243116 HNVLGSSUPYSVKO-UHFFFAOYSA-N 449.551 3.008 0 1 IGAF CC(=O)c1c(C)c2cnc(Nc3ccc(N4CC[C@H](N)C4)cn3)nc2n(C2CCCC2)c1=O 13641699 SOBJZSYZGDDPBD-INIZCTEOSA-N 447.543 3.094 0 1 IGAF CC(C)C[C@@H](NC(=O)OCc1ccccc1)[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O 25110211 OGPNNUIBMRADRA-CVEARBPZSA-N 429.406 3.121 0 1 IGAF NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccc(F)cc1F 45497857 YOFVIRHWXDICMQ-UHFFFAOYSA-N 440.454 3.046 0 1 IGAF COc1cc2c(cc1OC)-c1c(-c3cnc(CN4CCCOCC4)s3)ncn1CC2 84618424 FDVCQTUMHBUUBK-UHFFFAOYSA-N 426.542 3.469 0 1 IGAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@@H](NS(=O)(=O)C2CC2)C1 142583439 FWJWVPBTYVDACG-UAWIAZDRSA-N 446.613 3.084 0 1 IGAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccc(F)c(Cl)c4)nc23)N1 205035804 HGNZZERUXOSBIR-RZNTYIFUSA-N 427.827 3.020 0 1 IGAF COc1ccc2[nH]cc(C(=O)O)c(=Nc3ccc(NCCCN4CCOCC4)cc3)c2c1 473149170 ILIQEYWZNWIGTR-UHFFFAOYSA-N 436.512 3.241 0 1 IGAF CCCCS(=O)(=O)N[C@@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(C)C 586933752 XEPKKZGYULRLGF-CYBMUJFWSA-N 432.340 3.440 0 1 IGAF CNS(=O)(=O)c1sccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587838008 ARPNQJRAAJCVHG-JDNHERCYSA-N 433.368 3.356 0 1 IGAF COc1ccc(CCNc2c(C)nc3c(N4CCOCC4)nccn23)cc1Br 1772577201 ZWZHMUNRVMLZRK-UHFFFAOYSA-N 446.349 3.300 0 1 IGAF CC(C)(C)NCC(=O)NC(C)(C)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1 1857635153 MRZOSLNCBVUEPV-UHFFFAOYSA-N 432.468 3.416 0 1 IGAF O=C(c1nccs1)N1CCN([C@H]2CC(=O)N(c3cccc(Oc4ccccc4)c3)C2)CC1 1857641011 WSBQMOSUOWVSFA-IBGZPJMESA-N 448.548 3.499 0 1 IGAF COCCN=c1[nH]c2c(s1)C=Cc1cc(Cl)ccc1[C@@H]2c1cn(C)c(=O)nc1S 1857750727 NKFRCIGMTNNXMA-MRXNPFEDSA-N 446.985 3.323 0 1 IGAF CNC(=N)N1C=CC[C@]2(C1)[C@H]1CC[C@@H](C)[C@@]23C[C@](O)(COC2CCCC2)C(C(=O)O)=C3C1 2356497374 LSNZCSNGWVEELB-FVCJGQAISA-N 443.588 3.258 0 1 IGAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NCc3ccccc3C(F)(F)F)C[C@@H](O)[C@H]2CO)n1 2356730797 HXWPJXFTLYPZAL-RAUXBKROSA-N 437.506 3.483 0 1 IGAF CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C/C=C/c2ccccc2)CC1 72137805 XKYROLPIONQLOC-OUZREKFBSA-N 446.555 3.216 0 3 IGAF COC(=O)CCc1cc(OC)c2c(c1)[C@@H](C(=O)OC)[C@@H](c1ccc(OC)c(OC)c1)O2 1645371 VYPDDYLRLTWJLX-NHCUHLMSSA-N 430.453 3.208 0 1 IGAF O=C(O)CCCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358384 KHLBKUCUEUCPCK-HXUWFJFHSA-N 427.453 3.132 0 1 IGAF COC(=O)NCCc1cc(Br)c(OCCCN(C)C)c(Br)c1 14594684 JDJDJZOZXACFJD-UHFFFAOYSA-N 438.160 3.441 0 1 IGAF biogenic CC(=O)N1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3ccc(-c3ccccc3CN(C)C)c2=O)CC1 25409918 QVHOHUDBAQYGMR-IRLDBZIGSA-N 448.611 3.007 0 1 IGAF biogenic CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O 28524442 UPFVFWZGNRKYFG-FZBHTNNTSA-N 446.496 3.390 0 1 IGAF O=C1CNC(=O)N1CCCN1CC[C@H]2c3cc(F)ccc3N(c3ccc(F)cc3)[C@@H]2C1 36093056 IQHJJFKDRDMNJP-GHTZIAJQSA-N 426.467 3.216 0 1 IGAF CC1=C(C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)OCc3ccccc3)[C@H]2SC1 36382884 XZDSRXAOIKCNFP-WIYYLYMNSA-N 438.505 3.214 0 1 IGAF CCOc1ccccc1-c1nc(C(=O)N2CCC[C@H](C(=O)OCCN(C)C)C2)cs1 82069684 XEILVWDISXBFLB-INIZCTEOSA-N 431.558 3.166 0 1 IGAF COc1ccc(-c2nc3c(NCCc4cccc(F)c4)ncnc3n2CCNC(C)=O)cc1 82179443 AYRZRTHBHWKDMI-UHFFFAOYSA-N 448.502 3.432 0 1 IGAF O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccncc1)[C@H](c1ccccc1)CN2 82209029 AJIPUXWRPMGCJY-NRFANRHFSA-N 425.492 3.080 0 1 IGAF NS(=O)(=O)c1cc2c(cc1NS(=O)(=O)CCc1ccc(-c3ccco3)cc1)CCC2 147836363 TULPKMPSRGSYIM-UHFFFAOYSA-N 446.550 3.067 0 1 IGAF CN1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(F)cc3F)n2)CC1 204755773 QESKTLYWWOEMJK-UHFFFAOYSA-N 437.454 3.255 0 1 IGAF COc1cc(C(=O)c2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ncnc(N)c12 261134124 LTBKWKQMVQWTPL-ONEIWYMKSA-N 429.480 3.242 0 1 IGAF O=C(N[C@H]1CC[C@@H](C(=O)Nc2ccn(-c3ccccc3F)n2)CC1)c1cccc(F)n1 261138718 MQIKJQQQDIIXLP-GASCZTMLSA-N 425.439 3.473 0 1 IGAF O=C(Cn1cc(C[C@H](O)c2ccc(S(=O)(=O)c3ccccc3)cc2)nn1)c1ccccc1 299825968 NHPACWGBTCGWJJ-QHCPKHFHSA-N 447.516 3.270 0 1 IGAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4nnn(C)c4C(F)F)[nH]c3c2)cc1 587129311 WMBSZGRTCMYOJC-UHFFFAOYSA-N 434.428 3.105 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(O)nc3)c(=O)c3ccccc23)c(O)c1 587666055 YXHSNMCRLLPIHC-UHFFFAOYSA-N 430.464 3.404 0 1 IGAF COc1ccc2c(c1OC)[C@@](C)(CN1CCN(C(=O)OC(C)(C)C)CC1)N(C)[C@H](C)C2 962565510 HOQSEEQAPVDCKJ-MZNJEOGPSA-N 433.593 3.348 0 1 IGAF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@](C)(c1ccnc(N)n1)N2C(=O)OC(C)(C)C 962722362 YVSQZBDXGWGMMP-DHIUTWEWSA-N 442.491 3.113 0 1 IGAF CCOC(=O)C[C@H](C[C@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21)C(=O)OCC 962759106 AOWXSVNOYXQTEU-IIMJZQEZSA-N 429.435 3.070 0 1 IGAF CCCCN(CCCC)c1cc2c(cc1NC(C)=O)NC(=O)[C@@H](CCC(=O)OC)NC2=O 1772582500 QHUZWQDSPXNPMG-QGZVFWFLSA-N 446.548 3.055 0 1 IGAF COc1ccc(OC)c(CCn2cnc3ccc(-c4cccc(C(N)=O)c4)cc3c2=O)c1 1857557598 DZEVZXZRKBIXAR-UHFFFAOYSA-N 429.476 3.422 0 1 IGAF Oc1nc(=Nc2cccc(-c3cn(CCc4ccccc4)nn3)c2)c2cccnc2n1O 1857644334 HGCIROZSRNROLU-UHFFFAOYSA-N 425.452 3.108 0 1 IGAF O=C(O)c1ccc(CNC[C@@H]2Cn3cc(-c4ccc5c(c4)OCCCO5)nc3CO2)cc1 2356539330 KODISRFIJVJZNU-LJQANCHMSA-N 435.480 3.098 0 1 IGAF COc1cccc(-c2ccc3c4c2O[C@H]2C(=O)CC[C@@]5(O)[C@@H](C3)N(CC3CC3)CC[C@]425)c1 1658764 ALKJHIRJEJQZCJ-LHIMOPHOSA-N 431.532 3.495 0 1 IGAF CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCC(C)(C)CO)c1 4046307 CRLKSFBBOAJOAB-GGAORHGYSA-N 439.556 3.378 0 1 IGAF COc1ccc(COCC(=O)N2C(=O)C[C@H]3[C@@H](C(=O)OCc4ccccc4)CC[C@@H]32)cc1 27517855 LRJSPTKYYNPJBG-FKBYEOEOSA-N 437.492 3.109 0 1 IGAF Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cc(F)cc(F)c2)O1 28974600 GNFAFBVSLUZXIL-ONSXPEOJSA-N 425.332 3.032 0 1 IGAF CN1CCN(CCOc2ccc(-c3cnc4c(-c5ccncc5F)cnn4c3)cc2)CC1 40395586 NZQQJFKFNKHJRT-UHFFFAOYSA-N 432.503 3.224 0 1 IGAF O=C(O)c1ccc(Cn2nnc(-c3ccnc(C(=O)NCc4ccc(Cl)cc4)c3)n2)cc1 45364749 ZJTQSZOSAUVIRT-UHFFFAOYSA-N 448.870 3.065 0 1 IGAF O=C(CSc1nnc(-c2ccc(NC(=S)NCCO)cc2)o1)c1ccc(F)cc1 73161397 HWTBJNCWIZJNMB-UHFFFAOYSA-N 432.502 3.129 0 1 IGAF COc1ccc(Cc2nc(-c3ccc(OCCCN4CCOCC4)cc3)c[nH]c2=O)cc1 96921939 FHUDXIRSVNXMPC-UHFFFAOYSA-N 435.524 3.137 0 1 IGAF CCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21 103184341 XCNJVFYVDGAXRS-KRWDZBQOSA-N 432.398 3.466 0 1 IGAF CCCCNc1ncc(-c2cccc(CN3CCOCC3)n2)c(N[C@H]2CC[C@H](O)CC2)n1 103242229 ZTFAJUAGQGVBCO-PUZFROQSSA-N 440.592 3.298 0 1 IGAF Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)nc31)CN1CCC[C@H]1C2 113109823 BUOGVIVMZAPZIY-SFHVURJKSA-N 445.498 3.358 0 1 IGAF Cc1nc2cc(C#N)ccc2n1[C@H]1CCN(C(=O)OC2[C@H]3CC4C[C@H]2CC(C(N)=O)(C4)C3)C1 147341015 FKBOORPZGSTEFE-PBWVCCIYSA-N 447.539 3.280 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC[C@@H]4CCCO4)c3)C2)cc1 169709818 RBJMJNOTWFLGAI-IMRHEYAYSA-N 425.529 3.494 0 1 IGAF O=C(N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CCCC1 263621130 VMTZDIHMLVWUQZ-GHHWWOHGSA-N 426.561 3.004 0 1 IGAF in-vitro CS(=O)(=O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587017431 LWNNIWJRLYAAKP-UHFFFAOYSA-N 427.507 3.452 0 1 IGAF C[C@@H]1CC[C@@H]2N[C@@H](C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)CC(=O)[C@H]2C1 618014867 KBYRKXRCNYEWKQ-GUYJKWIASA-N 426.344 3.126 0 1 IGAF CCOC(=O)[C@@H]1CCOCC[C@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963170045 HSZASFLNIDBLQP-GYOIFBIXSA-N 435.826 3.143 0 1 IGAF CCOC(=O)c1cc2c(n1C)-c1nc(O)c(S(=O)(=O)c3ccccc3)cc1CCC2 1857628291 WCJBYTBDVPMGSP-UHFFFAOYSA-N 426.494 3.291 0 1 IGAF C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@H]2[C@@H]1O 2356311402 MYJZSEKGGHIYKO-SVAOELHLSA-N 436.637 3.226 0 1 IGAF COc1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](OC(=O)Nc5ccccc5)CO[C@@H]43)n2)cc1 2356824620 GWNZPUMWZODYJM-GXRSIYKFSA-N 448.479 3.348 0 1 IGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NC[C@@H](O)CC)c1 4152402 XEYQPSSYQUXTHG-LXBDKUERSA-N 426.513 3.463 0 1 IGAF COc1cc([C@@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(O)c1OC 13462837 AEHBVQHJSNELOD-VHPWJVAPSA-N 432.469 3.376 0 1 IGAF CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)CF 13606567 HFRHUAYUFHVXNZ-RTWAWAEBSA-N 427.520 3.167 0 1 IGAF CCCN(C)C(=O)CN1C[C@H](c2ccc(OC)cc2)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 13760913 BVNZXNOMGWQSDJ-JRFVFWCSSA-N 440.540 3.414 0 1 IGAF Cc1ccc(CNC(=O)[C@@H](C)N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1 15953976 QFKOZHNKLSMVDN-PUAOIOHZSA-N 430.508 3.217 0 1 IGAF biogenic Cc1ccc(NC(=O)C[C@@H]2CCc3cc(Br)cc4[nH]c(=O)c(=O)n2c34)cc1 29323022 HDFGVPGJSIBDOL-HNNXBMFYSA-N 428.286 3.277 0 1 IGAF CCN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@H]2c2cn(C)c3ccccc23)CC1 33591106 KJONCJWNGHJLMU-ZEQRLZLVSA-N 430.552 3.253 0 1 IGAF C[C@@H]1CCN(c2cnc3cc(F)c(F)cc3n2)CCN1C(=O)c1ccccc1-n1nccn1 49036724 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COc1cc([C@@]2(OC)OC[C@@H]3[C@H]2CO[C@H]3c2ccc3c(c2)OCO3)cc(OC)c1OC 238763781 RQWOTJIYANUWKC-FLBJFFONSA-N 430.453 3.274 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N4CC[C@@H](C)C4)c3F)C2)cc1 261107378 HPNJVVFDQATTNT-GQIGUUNPSA-N 427.524 3.317 0 1 IGAF CN(C)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4c3CCO4)CC2)CC1 261130009 KXPJEGNVGVZNGX-KESTWPANSA-N 435.634 3.146 0 1 IGAF COc1cc(-c2nc([C@H]3C[C@@](C)(O)C3)n3ncnc(N)c23)ccc1C(=O)c1ccccc1 261168278 SJBOBVCCLWCCIT-ONEIWYMKSA-N 429.480 3.242 0 1 IGAF CN(C)C(=O)[C@@H]1CN(c2ncccn2)CCN1C(=O)c1ccc(-c2cccc(Cl)c2)cc1 299834276 RTTLZSSZKSRTED-NRFANRHFSA-N 449.942 3.216 0 1 IGAF O=C(N[C@@H](CO)c1ccccc1)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1 299845085 KLRKVNKANBJQPN-ZJOUEHCJSA-N 445.523 3.061 0 1 IGAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586936125 HJWWIHGZVIZYGC-GOSISDBHSA-N 434.905 3.223 0 1 IGAF CN1CCN(c2ccc3[nH]c(-c4cc(Cn5ccc(C(F)(F)F)n5)on4)nc3c2)CC1 587119802 FUNZZOOAWFIEMN-UHFFFAOYSA-N 431.422 3.233 0 1 IGAF CCn1nc(C(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)c2ccccc2c1=O 587869866 PRWURUBWOGWJFL-UHFFFAOYSA-N 443.385 3.391 0 1 IGAF CN1CCC(SC(=S)NCCCCNC(=O)Nc2ccc3c(c2)OCCO3)CC1 1857603234 VJOYKJINYPEUNX-UHFFFAOYSA-N 438.619 3.061 0 1 IGAF CC(C)Cc1n[nH]c2nc(N[C@H]3CC[C@H](NS(=O)(=O)Cc4ccccc4)CC3)ncc12 1857606591 UQAWPRITVQCMDD-IYARVYRRSA-N 442.589 3.394 0 1 IGAF O=C([C@H](NS(=O)(=O)c1cccs1)c1ccccc1)N1CCN(c2ccccc2)CC1 4057241 PVZJYXXPEOJTDW-OAQYLSRUSA-N 441.578 3.117 0 3 IGAF aggregator C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 61903742 OTQSZMLNYYLPML-NRFANRHFSA-N 446.956 3.258 0 3 IGAF CCCCOc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2cccc(F)c2)cc1 61908615 PMCLBFYLXXWUBY-QFIPXVFZSA-N 448.516 3.114 0 3 IGAF CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1 61926060 XWQMVTBSJDWCHF-INIZCTEOSA-N 438.493 3.007 0 3 IGAF Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)OCc4c(ccc5ccccc45)O3)O2)c(=O)[nH]c1=O 3596701 KGWFETRZCYQEIS-BEPTXZQMSA-N 442.364 3.186 0 1 IGAF O=C(O)C[C@@](O)(CSCCCCC[S@](=O)c1ccc(Cl)cc1Cl)C(=O)O 13758202 POIIQGILWYWXHQ-AKJBCIBTSA-N 443.370 3.295 0 1 IGAF COC(=O)CCC(=O)Nc1ccc(Br)cc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 29044619 IXBPOPOGNRYKSB-BETUJISGSA-N 425.323 3.459 0 1 IGAF COc1cccc2c1CC[C@H]1CN(CCn3c(O)nc4c([nH]c5ccccc54)c3=O)C[C@H]21 29345951 WIRHRVAPDHCAEN-KXBFYZLASA-N 430.508 3.254 0 1 IGAF COc1ccccc1N1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 72176177 HUULRXKFXMSFSP-LJQANCHMSA-N 447.576 3.200 0 1 IGAF COc1cccc(Cc2ccnn(CC(=O)Nc3ccc(Br)cc3)c2=O)c1 96271821 KQXIVNGFJGYBKE-UHFFFAOYSA-N 428.286 3.244 0 1 IGAF CN1CCN(c2nc(Nc3ccccc3)nc(Oc3cc(=O)oc4ccccc34)n2)CC1 103207330 LAPOUAYUXJEMOU-UHFFFAOYSA-N 430.468 3.266 0 1 IGAF O=C(Nc1ccc(C2CCN(C(=O)[C@@H]3COCCO3)CC2)cc1)N1Cc2ccccc2C1 166607175 INQOGRFDXHLMHI-QHCPKHFHSA-N 435.524 3.356 0 1 IGAF CCn1cc(-c2cc3c(-c4cccc(N5CCN[C@@H](C(F)(F)F)C5)n4)n[nH]c3cn2)cn1 205256607 OYBHRXWHGRKFFA-GOSISDBHSA-N 442.449 3.244 0 1 IGAF Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1CC[C@H](O)CCO1 205635158 KCJBGIOCTZLHAV-HZMBPMFUSA-N 449.483 3.259 0 1 IGAF CNc1cc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc2cn1 261141066 NCPNBPONILPIIB-UHFFFAOYSA-N 446.555 3.189 0 1 IGAF CC(C)COc1cc2nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br 587202045 BCGMHVCOEILLBE-HNNXBMFYSA-N 439.354 3.439 0 1 IGAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(O)c1 587239898 AXUBJPINZAXGTC-UHFFFAOYSA-N 436.493 3.073 0 1 IGAF COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccccc4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O 587456425 VIGOEQYISSBUMQ-GVHPLLPZSA-N 430.412 3.452 0 1 IGAF COCCN1C=C(C(=O)O)[C@]2(C=C1C)N[C@@H](C)Cc1ccc(F)c(Br)c12 587762156 XIJZOZSIPIBXLY-WLRWDXFRSA-N 425.298 3.152 0 1 IGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)O 587871654 LXPLLAJIOUWYFL-VFNWGFHPSA-N 441.459 3.404 0 1 IGAF Nc1cccc(-c2c(OCc3ccccn3)ccc3c(=O)nc(N4CCOCC4)oc23)c1 1772610736 TXNDFRNEDYOVPK-UHFFFAOYSA-N 430.464 3.248 0 1 IGAF Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)cn1 1857554037 WOVXYXLODMXKPA-IFXJQAMLSA-N 431.874 3.289 0 1 IGAF COC(=O)[C@@H](Cc1cn(CC=C(C)C)c2ccccc12)NC(=O)[C@@H](O)Cc1ccccc1 2356806964 WBOHBEKRKYUFEW-VWNXMTODSA-N 434.536 3.411 0 1 IGAF CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccc(C)cc3)C(=O)[C@@]21C 15936623 DLKMPAOBEXBBKV-KYCQWFEFSA-N 431.492 3.207 0 3 IGAF COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1 61921576 YVFPRJXGACQPOR-QDTKGZOSSA-N 430.432 3.027 0 3 IGAF Cc1ccccc1Cn1nnc2c(=O)[nH]c([C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)nc21 8611585 NOLAIFFHFWRPFY-GOSISDBHSA-N 446.486 3.030 0 1 IGAF COCCNCCOc1cccc(-n2cc(-c3cccc(OC)c3)c3c(N)ncnc32)c1 40404644 LZSLTYSIFLFNPT-UHFFFAOYSA-N 433.512 3.293 0 1 IGAF CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2C(F)(F)F 53314047 GFJDQCXUYSZPNK-OAQYLSRUSA-N 446.381 3.194 0 1 IGAF CC(C)S(=O)(=O)NCCOCCNc1nc2c(s1)CCCc1ccc(F)cc1-2 72122997 FEOJWKNLVWAOGQ-UHFFFAOYSA-N 427.567 3.194 0 1 IGAF COc1ccc(C(=O)O[C@H]2CC(C)=C[C@@H](O)[C@@]3(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]23)cc1 72140983 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435.505 3.317 0 1 IGAF O=P(O)(O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F 299869542 UXVRWSBRRRIFQG-SBBZOCNPSA-N 435.371 3.445 0 1 IGAF O=S(=O)(c1ncccc1-c1nc2c(Br)ncc(F)c2[nH]1)C(F)(F)F 587127401 SLZWXIIQYKHPPI-UHFFFAOYSA-N 425.161 3.215 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](NC(=O)C(F)(F)F)c3cc4c(cc31)OCO4)O2 587380127 AZQSDTMNPLRHIX-VBKZILBWSA-N 434.370 3.290 0 1 IGAF CCOc1ncc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc1Cl 653700805 NKKFYBSWGXNTAK-SNVBAGLBSA-N 443.262 3.342 0 1 IGAF COC(=O)[C@]1(CC(=O)c2cccnc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962645759 RUUPFXCRUIZBAS-HOFKKMOUSA-N 441.531 3.470 0 1 IGAF Cc1cn(CCC(=O)O)c(C)c1[C@]1(C)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971242 HHIDZKHDXHLQMJ-VLIAUNLRSA-N 426.847 3.374 0 1 IGAF CCOC(=O)COc1ccccc1[C@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972509 JCFNRQGSJJBTRB-BTYIYWSLSA-N 439.842 3.423 0 1 IGAF CCOC(=O)c1cnc([C@@H]2c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)s1 963137104 HHFKPIJLWMWKHB-JQWIXIFHSA-N 439.515 3.112 0 1 IGAF CC(C)(C)c1ccc(CC[C@@H]2CCN[C@H](C(=O)N[C@H](CO)[C@H](O)c3ccccc3)C2)cc1 1911585385 IEIJSPZXPCULLF-HKTJVKLFSA-N 438.612 3.496 0 1 IGAF C[C@@]1(C(=O)Nc2cccc(NS(C)(=O)=O)c2)CCN1Cc1ccccc1OC(F)F 61897275 YUPJZKMMVSJLCV-FQEVSTJZSA-N 439.484 3.263 0 3 IGAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CCN1C(=O)CC1CCCCC1 61902880 ZLNCYBDJLLYWIY-LJQANCHMSA-N 446.491 3.472 0 3 IGAF CCCCOc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2cccc(F)c2)cc1 61908616 PMCLBFYLXXWUBY-JOCHJYFZSA-N 448.516 3.114 0 3 IGAF O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)c1nc2ccccc2[nH]1 13589837 VDPOBWCVGSGQNQ-FQEVSTJZSA-N 428.448 3.241 0 1 IGAF CC(C)(C)OC(=O)c1ncn2c1CN(C(=O)N1C[C@@H]3CC[C@H](C1)N3)c1cc(Cl)ccc1-2 13796240 SIBIJNXNBQFNMM-GASCZTMLSA-N 443.935 3.357 0 1 IGAF Cc1cc(N)nc(C[C@@H]2CNC[C@@H]2OCCNCC(F)(F)c2cc(F)cc(Cl)c2)c1 72180949 WCMZHGFWPJYQKM-KUHUBIRLSA-N 442.913 3.293 0 1 IGAF in-vitro COc1cc2nc(N3CCC(C(N)=O)CC3)nc(NCCc3ccccc3)c2cc1OC 82128534 LMWAWLOGMJNIHR-UHFFFAOYSA-N 435.528 3.003 0 1 IGAF CC(C)CN(CC(C)C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1 82143064 JPYYGKOGWJETST-KRWDZBQOSA-N 427.549 3.193 0 1 IGAF CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]1C 95679652 YXTUUNAVVDQDQI-DRSNIGMVSA-N 431.577 3.251 0 1 IGAF COc1cccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3C(=O)c2ccccc2)c1 95893368 HWMBJNWQXXHKTF-SMIHKQSGSA-N 428.488 3.325 0 1 IGAF O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(N[C@H]2CCC[C@H]2O)nc1C1CCCC1 101584708 YKQCVLCYKQLBRQ-CULQFQMFSA-N 440.588 3.129 0 1 IGAF O=C(c1c(F)ccc(NS(=O)(=O)CCC(F)(F)F)c1F)c1c[nH]c2ncncc12 113513904 YDCUMQYWHIIQBG-UHFFFAOYSA-N 434.346 3.161 0 1 IGAF N[C@@H]1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2[C@H]1Cc1ccccc1Cl 143303788 OVOTWUXYGISXHK-IFMALSPDSA-N 434.989 3.400 0 1 IGAF O[C@@](CSc1nnc(-c2ccc(F)cc2)[nH]1)(Cn1cncn1)c1ccc(F)cc1F 299858950 FHFVOAYJJAZHTM-LJQANCHMSA-N 432.431 3.161 0 1 IGAF NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587026620 LRDDCDPFFBFMAT-ZMYBRWDISA-N 444.582 3.347 0 1 IGAF COC(=O)c1cc2[nH]c(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)nc2cc1OC 587111244 CXTUYNSHZFGXGZ-UHFFFAOYSA-N 432.362 3.079 0 1 IGAF O=C(O)c1nn(Cc2nc3cccc(C(F)(F)F)c3[nH]2)cc1I 587186543 XMQCKVHVQLUAIF-UHFFFAOYSA-N 436.131 3.129 0 1 IGAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)nc2c1 587201919 DDKYHMVZTFPIQF-OAHLLOKOSA-N 431.832 3.445 0 1 IGAF CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587342508 FCWQZSOHPBPWNI-NRYAXDJKSA-N 441.455 3.059 0 1 IGAF Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605352 CFARRWRAVGUDRS-UGKGYDQZSA-N 425.462 3.225 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2cccnc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962719221 SUCXPVQZOJHOLI-GAJHUEQPSA-N 428.529 3.350 0 1 IGAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2c[nH]c3ncc(Br)nc23)N1 962971022 SBEVBYCUELZNQA-NOZJJQNGSA-N 443.635 3.340 0 1 IGAF COc1cccc(OC)c1[C@]1(c2ccc(C)cn2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963491371 MWDMQGAFSKJKNG-SSOJOUAXSA-N 434.492 3.312 0 1 IGAF O=C([C@@H]1CCCN(c2ccc3nc(C4(Cc5ccccc5)COC4)[nH]c3n2)C1)N1CCCC1 1772615853 RDDYZRZRMPMCGQ-HXUWFJFHSA-N 445.567 3.307 0 1 IGAF O=C(NCc1ccccc1)O[C@@H]1CO[C@@H]2[C@H](Nc3nccc(-c4ccccc4)n3)CO[C@@H]12 2356512200 VSJPMJFJRYHYHM-YSFYHYPLSA-N 432.480 3.017 0 1 IGAF CCOC(=O)C(C=Cc1cccc(C=CC(C(=O)OCC)C(=O)OCC)c1)C(=O)OCC 3844934 NYOXUXBLUVOESY-UHFFFAOYSA-N 446.496 3.198 0 1 IGAF biogenic CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CNC[C@H](O)COc1cccc2[nH]ccc12 4394095 XEIJXVBJVUYOEK-ISJBWFOZSA-N 435.568 3.324 0 1 IGAF CN(C)[C@@H]1CCN(C(=O)c2cnn(-c3ncc4c(n3)-c3ccccc3CC4)c2C2CC2)C1 12162110 SVIVSAFVELBSOP-LJQANCHMSA-N 428.540 3.081 0 1 IGAF Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCN1CCOCC1 14974515 DKJQJJXMNYJZFE-UHFFFAOYSA-N 447.977 3.155 0 1 IGAF CN(CCc1ccccn1)CC[C@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)O 20462983 DCJZFUJFLMLBRN-PMACEKPBSA-N 430.593 3.401 0 1 IGAF biogenic COc1ccccc1N1CCN(CCN2C(=O)[C@@H]3Sc4ccccc4[C@H]3N=C2C)CC1 40943730 YTUVCBHWXNZHCJ-DHIUTWEWSA-N 436.581 3.293 0 1 IGAF O=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)nn1 95595553 UPRHRDVCISBLNY-UHFFFAOYSA-N 448.354 3.276 0 1 IGAF CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)CC)[C@@H](C)CO2 95686833 CGCJCZBVFKVEDJ-LLGFUMIMSA-N 447.576 3.168 0 1 IGAF O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCCC1 95796437 BSIGSQJJGCVKJX-XZOQPEGZSA-N 426.582 3.080 0 1 IGAF CCN1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)N[C@@H](C)c1ccccc1)[C@@H]2CO 95880670 MGIUHMWLUBABPT-ZSHMTCMZSA-N 447.579 3.277 0 1 IGAF CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccccn5)C[C@@H]3N4)cc2)c1 100101574 HASAQXOASNVTDA-BKFWDETESA-N 426.520 3.030 0 1 IGAF COC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C 101500494 CPGPEVNIOCXOPN-QXGSTGNESA-N 435.532 3.130 0 1 IGAF CC1(C)NC(=O)c2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc(F)c2NC1=O 103298362 YQMPRSFJKXDUSU-UHFFFAOYSA-N 445.394 3.106 0 1 IGAF Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)nc31)CNCC2 142041579 PVIOJKYJXQKGQG-UHFFFAOYSA-N 425.414 3.451 0 1 IGAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN[C@@H](C)C(=O)O)cc2C)ncn1 144528648 OOKCAAOELPGEMD-INIZCTEOSA-N 425.533 3.226 0 1 IGAF COC[C@@H]1C[C@H](N(C)C(C)C)CC[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1 150186805 OZSUEZWETKBTTF-UHOSZYNNSA-N 443.510 3.075 0 1 IGAF CC1(C)OC[C@H]([C@@H]2O[C@H](OC(=O)c3ccc(C(F)(F)F)cc3)[C@@H]3OC(C)(C)O[C@@H]23)O1 254074067 BHLPICAGQSYCKG-RUCLQGLUSA-N 432.391 3.259 0 1 IGAF O=C(c1nc2ccccc2cc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](COc1ccccn1)C2 473180265 AYJHDWGNHNBJBV-HBFSDRIKSA-N 426.480 3.283 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@]1(CC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587794182 GBUCUBJWIWGUSG-JEOXALJRSA-N 430.314 3.470 0 1 IGAF C[C@@H](Oc1c(Cl)cccc1Cl)[C@]1(C)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963204467 LVWRDEWLLXOUHG-QHKHEEJVSA-N 449.338 3.157 0 1 IGAF Cc1cc(-c2nc3cnc(O[C@@H]4CCOC4)cc3n2[C@@H](C)c2ccccn2)cn(C)c1=O 1772605953 JNFUINPRLOXQRI-FUHWJXTLSA-N 431.496 3.277 0 1 IGAF C[C@H](c1ccc2ncc(-c3cnn(C)c3)cc2c1)n1nnc2ncc(-c3cnn(C)c3)nc21 1772614113 FALAPGQSNREIHR-CQSZACIVSA-N 436.483 3.180 0 1 IGAF Cc1cc(=O)c2c(OCc3nnc(SCCN4CCOCC4)o3)c3ccoc3cc2o1 1857579928 YEQOBLWABXVDTJ-UHFFFAOYSA-N 443.481 3.234 0 1 IGAF CN1[C@H]2CC(NC(=O)N3CC(C)(C)c4ccccc43)C[C@@H]1CN(C(=O)c1ccccc1)C2 606706 CANADVGNBXNBJF-SEJPIABJSA-N 432.568 3.481 0 1 IGAF NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCc4ccccc4)cc32)cn1 12153009 GUYYFMCFEPDDFL-OAQYLSRUSA-N 445.523 3.132 0 1 IGAF in-vivo CN(Cc1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)N1C(=O)C[C@@H]1Cc1ccccc1 13780508 SOKYORDDVNWLNW-INIZCTEOSA-N 440.443 3.376 0 1 IGAF O=C(O)CN1C(=O)[C@@H](NC(=O)c2cc3sc(Cl)c(Cl)c3[nH]2)Cc2ccccc21 28818240 VZFLYUUKLKQOKA-JTQLQIEISA-N 438.292 3.309 0 1 IGAF NC(=O)Cc1ccc(NC(=O)/C=C2\C[C@H](C(=O)O)Nc3cc(Cl)cc(Cl)c32)cc1 40718600 GPVLGJBGKMXGQG-AYAUWGRQSA-N 434.279 3.312 0 1 IGAF COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)Nc2cccc(Cl)c2)cc1OC 40915759 NRHWNPMAXZZLFZ-JEJOPICUSA-N 446.887 3.359 0 1 IGAF O=C(Nc1ccccc1)C1=C(O)c2ccccc2S(=O)(=O)N1CC(=O)c1ccccc1 45357971 SIXHKGMUKXQHRJ-UHFFFAOYSA-N 434.473 3.439 0 1 IGAF O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1 49089020 IARDVIOHDKSEPI-XMMPIXPASA-N 438.959 3.246 0 1 IGAF O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(Cl)cc1 95904819 RXKHTODQLXZGSD-FFZOFVMBSA-N 449.910 3.216 0 1 IGAF Nc1nc2c(CCNCC3CCCC3)c3[nH]c(NCCc4ccccc4)nc3cc2c(=O)[nH]1 95920854 RDFXKIVPJRMHKW-UHFFFAOYSA-N 445.571 3.359 0 1 IGAF in-vitro O=C(c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@H]3C2=O)c1)N1CCN(c2ccc(F)cc2)CC1 195472749 MWQZSEVCUHJSHP-UOGRCSNTSA-N 445.494 3.100 0 1 IGAF O=C(O)CN(Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(C(=O)O)c(C(=O)O)c1 473089063 QRFSTCHRTXQNIQ-UHFFFAOYSA-N 427.331 3.068 0 1 IGAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Br)c(F)cc3[nH]2)cc1 586931914 POXYJDCQWJJNKM-UHFFFAOYSA-N 428.283 3.294 0 1 IGAF CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587435700 IHFHFRZSBVPLSX-CKNGIIGNSA-N 431.485 3.002 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1cc(OC)ccc1OC)CC2=O 587480136 NKJKANFGJLQDSS-DEOSSOPVSA-N 442.464 3.355 0 1 IGAF COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccc(F)cc12 1772626863 QNIKWNNEVISCTO-WSZRMNBISA-N 425.460 3.118 0 1 IGAF CC(C)COc1ccc(-c2nn(C)c3cc(C(=O)NS(=O)(=O)C4CC4)c(F)cc23)cn1 1857560408 FJKQUKONXVRWFW-UHFFFAOYSA-N 446.504 3.031 0 1 IGAF O=C(NCc1ncc(F)cc1Cl)c1csc(CCNCc2nc3ccccc3[nH]2)n1 1857585869 YICCVQPHFFXLCS-UHFFFAOYSA-N 444.923 3.469 0 1 IGAF OC[C@@H]1[C@H](O)C[C@@H](NCc2ccc(F)c(F)c2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356388198 WEVBJGQAMZPVBS-IYRWYFENSA-N 425.479 3.112 0 1 IGAF C[C@H]1CCCC[C@H]1NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12 8661323 BFNFHGTVNJDHIX-OXJNMPFZSA-N 445.585 3.401 0 1 IGAF CCCN(CCC)C(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O 9725155 FXIHKMCDMCUWEY-UHFFFAOYSA-N 447.601 3.221 0 1 IGAF O=C(O)CCc1cc(CCNS(=O)(=O)c2ccc(F)cc2)cc(Cc2cccnc2)c1 13765915 KLQPDNUPUFPWKN-UHFFFAOYSA-N 442.512 3.350 0 1 IGAF N[C@@H](C(=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)C(c1ccccc1)c1ccccc1 25970686 NYKDSKBIFUEWIT-ILBGXUMGSA-N 427.548 3.453 0 1 IGAF CS(=O)(=O)N1CCN(Cc2ccnc(Nc3ncc(-c4ccccc4)s3)c2)CC1 28636518 YFVAGXCBQNGTOV-UHFFFAOYSA-N 429.571 3.026 0 1 IGAF CCOC(=O)/C=C/[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC 29125829 WMPVTNJPHJKDAZ-DSQVKDCXSA-N 448.560 3.478 0 1 IGAF Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 35849155 PRAHYBHEVROCIX-UHFFFAOYSA-N 426.416 3.442 0 1 IGAF CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CCF)c2cnc(-c3ccccc3)nc21 40405819 DCRSPOGUAKBGJJ-UHFFFAOYSA-N 433.487 3.278 0 1 IGAF CCC[C@H](NC(=O)[C@H](CC(C)C)NCC(F)(F)F)C(=O)c1nnc(-c2ccco2)o1 40566202 LDQAOERTIHJZOI-STQMWFEESA-N 430.427 3.364 0 1 IGAF CCOC(=O)[C@]1(C(=O)NCCc2ccc(F)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95597290 QCJXDDFKQKWSRI-HOYKHHGWSA-N 445.487 3.247 0 1 IGAF CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]1C 95679654 YXTUUNAVVDQDQI-YVHKJVDXSA-N 431.577 3.251 0 1 IGAF Cc1c(CC(=O)O)c(-c2ccccc2)nn1C[C@H]1CCCN1S(=O)(=O)c1ccccc1 96922298 CDTNWQNNCJVJMP-LJQANCHMSA-N 439.537 3.339 0 1 IGAF COCCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@H]1CC[C@H]3N1 100633432 ZNMNVYFOHQUMMT-DNVCBOLYSA-N 426.538 3.386 0 1 IGAF CN(C)c1cccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)n1 114347136 NESRKEKGRKLXJB-UHFFFAOYSA-N 441.495 3.054 0 1 IGAF Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3ccc(F)c(O)c3)C(C)(C)C2=O)cn1 115732884 ZYGOVQAPGYCHHB-UHFFFAOYSA-N 427.436 3.128 0 1 IGAF COc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2F)nc1-c1cccnc1OC 144393391 XZIYCNZLVQEDCP-KRWDZBQOSA-N 425.416 3.246 0 1 IGAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(O[C@@H]4COC[C@@H]4O)ccc3Cl)nnc12 145778584 BMHAOZUJNXVLNI-RBUKOAKNSA-N 437.887 3.317 0 1 IGAF COc1cc(Nc2nc3n(n2)CC[C@H](O)N3Cc2ccccc2)ccc1-n1cnc(C)c1 299834945 SVZUXFAZHKXJHN-NRFANRHFSA-N 431.500 3.253 0 1 IGAF COC(=O)c1cc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2cn1 587155311 WYAORIXUGZORKD-UHFFFAOYSA-N 426.429 3.351 0 1 IGAF COC(=O)c1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2cn1 587238033 AFRBOMLJTDFTHJ-KFVPTDEHSA-N 430.505 3.300 0 1 IGAF COCCN1C=C(C(=O)O)[C@@]2(C=C1C)N[C@H](C)Cc1ccc(F)c(Br)c12 587762154 XIJZOZSIPIBXLY-NSPYISDASA-N 425.298 3.152 0 1 IGAF Cc1cccc([C@]2(CS(C)(=O)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587852280 ZMTJKYZJXPIOBE-SGTLLEGYSA-N 427.339 3.114 0 1 IGAF CCN1C=C(C(=O)O)[C@]2(NCCc3cnc4c(OC)cccc4c32)c2cc(OC)ccc21 963061865 VUHAYZGYFIVNRT-RUZDIDTESA-N 431.492 3.450 0 1 IGAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C3(O)CCCC3)nc([C@H](C)O)c12 1772603253 AEXKHMSREBAGCO-DJJJIMSYSA-N 425.489 3.188 0 1 IGAF O=C(CCc1ccc(-c2c[nH]c3nccc-3c2)cc1)NCCNS(=O)(=O)c1ccccc1 1857605582 LSFUYDDDSYMIOU-UHFFFAOYSA-N 448.548 3.209 0 1 IGAF CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)N1Cc2cn(-c3ccccc3F)nc2C1 1857754570 ZHRPTNIIEOQLIM-UHFFFAOYSA-N 443.500 3.358 0 1 IGAF O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)N[C@H](c1ccccc1)c1nc2ccccc2[nH]1 2356484180 LDPNVUXAOIPTBV-SEIRJHJZSA-N 449.580 3.494 0 1 IGAF CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NC[C@@H](O)CC)c1 4040753 GEBDCBMLGVPXIR-WPYKKVEZSA-N 425.529 3.130 0 1 IGAF 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CS(=O)(=O)NC[C@H]1CC[C@H](c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn32)CC1 102845441 KBMBTBITALWBQM-GASCZTMLSA-N 438.557 3.283 0 1 IGAF COc1cc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)ccc1F 115731464 SPRPPVUFTRTVCM-UHFFFAOYSA-N 441.463 3.431 0 1 IGAF CCCCNS(=O)(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586913817 PRLCKMLMQZRDPW-UHFFFAOYSA-N 429.542 3.443 0 1 IGAF CCOC(=O)C(C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)OCC 587599711 ZCNJFVUXUNYXSZ-FDDCHVKYSA-N 428.437 3.245 0 1 IGAF COc1ccc2c(c1OC)[C@@](C)(CN1CCN(C(=O)OC(C)(C)C)CC1)N(C)[C@@H](C)C2 962565509 HOQSEEQAPVDCKJ-BXKMTCNYSA-N 433.593 3.348 0 1 IGAF COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cc3[nH]cnc3C)sc21 1857594345 DFZCPUZPUSPEGQ-UHFFFAOYSA-N 438.553 3.045 0 1 IGAF CCCCC[C@@H](C(=O)NCNC(=O)c1cc2cccc(OC)c2o1)[C@@H](CC)N(O)C=O 1857646729 CXJYUNWTZNVKKT-IAGOWNOFSA-N 433.505 3.068 0 1 IGAF O=C(Cn1cnc2c(OCc3ccccc3)ncnc21)NCCc1c[nH]c2ccccc12 61947324 KIBSHNYONMEAOY-UHFFFAOYSA-N 426.480 3.246 0 3 IGAF CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)C1 4051796 RNAVSDJTXBOALP-LRQRDZAKSA-N 429.879 3.308 0 1 IGAF O=C(c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)N1CCN(c2ccc(F)cc2)CC1 9490075 MWQZSEVCUHJSHP-TXKCWOHGSA-N 445.494 3.100 0 1 IGAF NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H]2CC(c3cccs3)=NO2)cc1 12355005 RAFHHQTYCHDRHG-KRWDZBQOSA-N 427.507 3.194 0 1 IGAF O=c1c2cccn2c2ccccc2n1CCNC(=S)Nc1ccc(Br)cn1 13861554 XULBSRLCPNINGW-UHFFFAOYSA-N 442.342 3.398 0 1 IGAF CCOC(=O)c1cc(NC(=O)Cc2cccs2)ccc1OC[C@@H](O)CNC(C)(C)C 25978656 ZAQLPNKRXZFNTM-INIZCTEOSA-N 434.558 3.234 0 1 IGAF Cc1cc(C)cc(Sc2c(CNC=O)c(C)[nH]c(=O)c2I)c1 45284481 XTRUWSUOFJNHTJ-UHFFFAOYSA-N 428.295 3.302 0 1 IGAF O=C(C[C@H]1CC[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 95907281 XVXZKVDXPZSGFW-TZRRMPRUSA-N 436.552 3.185 0 1 IGAF N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)OCc2cccc3ccccc23)CC1 103228803 KPULQFRFEHKYJN-DSKINZAPSA-N 427.570 3.485 0 1 IGAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(O[C@@H]4COCC[C@@H]4O)ccc3F)nnc12 145752376 NFDRPYVQPHIFFA-VQTJNVASSA-N 435.459 3.193 0 1 IGAF CC(C)[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2C)n2c1COCC2)c1ccc(C#N)nc1 146091298 YRHHEBJLQUMPMV-KSFYIVLOSA-N 435.528 3.037 0 1 IGAF Cc1nn(C)cc1-c1cc(C(N)=O)nc2cc(CN3C[C@@H](C)O[C@@H](C(F)(F)F)C3)ccc12 221618369 IENGTFIKQCTJCK-MPBGBICISA-N 447.461 3.194 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@@H]4NC(C(=O)OCC(C)C)=C(C)[C@H]4C[C@@H]4[C@@H](C2)N(C)CC[C@]314 253671779 LCIWAGQFSNMYED-GSKOOZMFSA-N 438.568 3.035 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CC[C@](C)(O)C4)c3F)C2)cc1 261118514 JEJHGTGJXRSAFY-GANZUKCXSA-N 442.535 3.037 0 1 IGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586935990 KYSCKBFCCRWVTR-LLVKDONJSA-N 431.465 3.096 0 1 IGAF COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(N)nccc5[nH]4)[nH]c23)cc1 586952774 HNXADWPCMJNCKZ-UHFFFAOYSA-N 434.481 3.498 0 1 IGAF Cc1ccc(NC(=O)CSCCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 586971080 SQNWSNONWHWKQC-UHFFFAOYSA-N 432.571 3.036 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(CC)C(=O)c2cc(OC)cc(OC)c21 587475243 KRDHLTKSKJQETR-DEOSSOPVSA-N 439.464 3.225 0 1 IGAF CN(C)C(=O)c1ccc2c(c1)[C@](c1ccc(Br)cc1)(c1ncc[nH]1)NCC2 962926420 CEPMTTKKGWKSEF-OAQYLSRUSA-N 425.330 3.312 0 1 IGAF CCCCN1C(=O)c2cccc3c(NC(=O)CNCCCCNCCCCN)ccc1c23 1857537650 LALPATIEFKXYHA-UHFFFAOYSA-N 439.604 3.237 0 1 IGAF COc1ccc(CNC(=O)[C@H]2CCC[C@@H](NCc3ccc(F)cc3)CN(C)C(=O)C2)cc1 2356300115 UHOZCPJQORIQDG-RBBKRZOGSA-N 441.547 3.258 0 1 IGAF CN1C[C@@H](NC(=O)c2ccccc2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356337467 ZDVKSJGUCXZASU-NQIIRXRSSA-N 443.494 3.028 0 1 IGAF C/C=C(/C)C(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@@H](C(N)=O)N(C(=O)CCCCC)C3)c1 13478810 XGZARNPQDIWNCE-FNMOCFJKSA-N 440.544 3.121 0 3 IGAF Cc1ccccc1CN1C(=O)c2ccccc2[C@@H]1c1nnnn1-c1ccc2c(c1)OCCO2 95568864 HWZIMQSJVGNQHV-HSZRJFAPSA-N 439.475 3.487 0 3 IGAF CCOC(=O)[C@]12CCC=C1N(Cc1ccccc1)C(=O)[C@H](CC(=O)N1CCSCC1)C2 199205774 SCLCXMHGXLHDFF-DVECYGJZSA-N 442.581 3.228 0 3 IGAF CNC(=S)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCOC)cc21 2487774 LTJXKOYCHHRRNX-IEBWSBKVSA-N 449.617 3.040 0 1 IGAF O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 4053674 FVIUAAZRWXIEGY-GGPKGHCWSA-N 429.879 3.356 0 1 IGAF N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N(CCc2ccncc2)CC2CC2)c1 27205501 LFWOVSQZHINOHK-UHFFFAOYSA-N 445.951 3.013 0 1 IGAF O=C(O)c1cn(C2CC2)c2c(F)c(N3CCO[C@@H](CN4CCCCC4)C3)c(F)cc2c1=O 28767124 KDZTYCCPDHHCCV-HNNXBMFYSA-N 447.482 3.004 0 1 IGAF CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1Cl 43016418 QUCCPIOKDMLPGG-UHFFFAOYSA-N 449.400 3.352 0 1 IGAF CC(C)(O)Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCOCC3)nc21 71317620 OEDPZABCSWCOMJ-UHFFFAOYSA-N 446.454 3.224 0 1 IGAF CS(=O)(=O)c1ccc(OCC[C@@H]2C[C@@H]2C2CCN(c3ncc(Cl)cn3)CC2)nc1 71341518 XFJBGINZIMNZBW-CRAIPNDOSA-N 436.965 3.250 0 1 IGAF in-vitro CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccccc2F)C1 82151735 FTKXZRUQWUWUDC-DOTOQJQBSA-N 427.524 3.481 0 1 IGAF Cc1ccc(C(=O)NC2CC2)cc1-c1cc2nnc(-c3c(C)cccc3F)n2n(C)c1=O 82155984 VZDQDZPUDMWPCP-UHFFFAOYSA-N 431.471 3.410 0 1 IGAF Cc1cccc([C@@H](CO)NC(=O)C2=NC=C(c3nc(NCC(F)(F)F)ncc3C)C2)c1 87613041 FEIYFUAIFAKRID-QGZVFWFLSA-N 433.434 3.103 0 1 IGAF CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 95604628 ZAHXKZOKOUSJMC-ACXDTAFXSA-N 433.596 3.170 0 1 IGAF CCN1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)N[C@H](C)c1ccccc1)[C@@H]2CO 95880669 MGIUHMWLUBABPT-QEZVQXRLSA-N 447.579 3.277 0 1 IGAF O=C(c1cccc(C(=O)N2CCC(N3CCCC3)CC2)c1)N1CCC(N2CCCC2)CC1 96284376 UGRLOOWORYVTGW-UHFFFAOYSA-N 438.616 3.087 0 1 IGAF CCNC(=O)[C@H](C)Oc1cc(F)ccc1Nc1ncnc2sc(C(=O)NC)c(C)c12 118826221 GZIFXFMISJHDRJ-NSHDSACASA-N 431.493 3.145 0 1 IGAF O=C(c1cc(-c2cnn(CCO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 143498763 BHUGFIHRYIOPPC-QFIPXVFZSA-N 443.425 3.167 0 1 IGAF c1ccc([C@@H](CN2CCC(N3CCCCC3)CC2)N2CCN(C[C@@H]3CCCO3)CC2)cc1 198333660 VLQWBBAISJOUST-RRPNLBNLSA-N 440.676 3.475 0 1 IGAF COc1cc(C(=O)N[C@@H](C)c2cccc(CN3CCN(C)CC3)c2)ccc1-c1cn[nH]c1 213990838 PGUYFODZDWZZGB-SFHVURJKSA-N 433.556 3.324 0 1 IGAF CCC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1 221276241 KJHMWFZSWCDTQF-UHFFFAOYSA-N 439.537 3.413 0 1 IGAF CCS(=O)(=O)N1CC(Oc2cncc(N3C(=O)c4ccc(Cl)cc4C3(C)C)c2)C1 223977816 SJINSMXRIOLHPI-UHFFFAOYSA-N 435.933 3.043 0 1 IGAF C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)/C(C)=C/C)[C@H]12 238764116 BCRODGCGQKENCQ-NDPFNJIQSA-N 446.540 3.411 0 1 IGAF CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@@H](CC(C)C)NC(=O)CC[C@H](C)Cc1ccccc1 261155810 PWUXNAGOBAFCRC-SESVDKBCSA-N 446.588 3.203 0 1 IGAF CCOC(=O)CN(C)c1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cn1 587739190 GJMNBUDXPFJPTK-ADLMAVQZSA-N 437.313 3.001 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(S(=O)(=O)N(C)C)cc2)N1 587839892 JEMCODWHEZXLOH-BBATYDOGSA-N 427.339 3.462 0 1 IGAF CN(C)C(=O)c1ccc2c(c1)[C@@]1(NCC2)c2ccccc2COc2ccc(CC(=O)O)cc21 962927274 PQNBGVABGVGVIE-MHZLTWQESA-N 442.515 3.346 0 1 IGAF CN1CCN(c2ccc(CCNC(=O)c3sc4nc(Cl)ccc4c3N)cc2)CC1 1857618851 BKYXQYOKUBCGOW-UHFFFAOYSA-N 429.977 3.256 0 1 IGAF COc1ccc2c(c1)CC[C@]21NC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O 1857751089 VOSYQSJSTNXTKX-QLXKLKPCSA-N 447.535 3.216 0 1 IGAF O=S(=O)(NCC1COC1)c1cccc(-c2ccc3nccc(-c4ccncc4)c3n2)c1 1857753116 LPHUWULBWOOYDL-UHFFFAOYSA-N 432.505 3.284 0 1 IGAF N=C(N)NCC(=CC(=O)O)[C@H](CCCCCCCCCCCCCO)N=c1cc[cH-][nH]1 2356311717 BKCRQYHWNMFRGS-FQEVSTJZSA-N 434.605 3.170 0 1 IGAF COc1ccc(CNC(=O)[C@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1OC 61926436 NFZPVCYINDURLZ-JOCHJYFZSA-N 434.448 3.114 0 3 IGAF COc1ccc(Nc2nccc(N3CC[C@@H](NC(=O)c4cccc(NC(C)=O)c4)C3)n2)cc1 45230127 QRDNFVZGPFEZCY-HXUWFJFHSA-N 446.511 3.196 0 1 IGAF CC(C)[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N[C@H]1CCCCNC1=O 82082199 RLEKYEVLSOOJGV-PZJWPPBQSA-N 448.523 3.034 0 1 IGAF COc1ccc(CCNc2ncc(C(=O)N3CCOCC3)c(-c3ccc(F)cc3)n2)cc1 82139508 WRDGTKBOPQYWBI-UHFFFAOYSA-N 436.487 3.418 0 1 IGAF CC[C@H](CO)NC(=O)Nc1ccc(Cc2ccc(NC(=O)N[C@H](CC)CO)cc2)cc1 96909347 KKQIQCYQVBQSAI-RTBURBONSA-N 428.533 3.062 0 1 IGAF CC/C=C\C=C/C(=O)N/C=C/C[C@H]1C[C@H]2C[C@H](O)C[C@H](Cc3cccc(O)c3C(=O)O1)O2 101028594 MVOORUCGKRDJFW-ZZBSXQHZSA-N 441.524 3.315 0 1 IGAF COc1ccnc(CN2CCOc3cnc(-c4ccc(OC(F)(F)F)cc4)cc3C2=O)n1 206196578 YVPWHTVHQASGEU-UHFFFAOYSA-N 446.385 3.481 0 1 IGAF CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)cc1F 261162197 RASHHQCIWFZESH-WLEJMLQUSA-N 430.929 3.219 0 1 IGAF CS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(-c2cnc(C3CC3)o2)cc1 299818800 APMYXKPIQQXHRZ-UHFFFAOYSA-N 444.534 3.374 0 1 IGAF COc1cc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2N)cc(OC)c1OC 653897396 AVZDSDVKJVSKSA-UHFFFAOYSA-N 434.905 3.313 0 1 IGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CC2OCCO2)(c2ccc(Br)cc2)N1 962905252 ZDCDQDGQJVDIHQ-PXNSSMCTSA-N 436.277 3.194 0 1 IGAF CSc1ncc2c(n1)CCc1cnc(Nc3ccc(C(=O)N(C)CCN(C)C)cc3)nc1-2 1857775104 HQYBJDBTJVHYKB-UHFFFAOYSA-N 449.584 3.131 0 1 IGAF OC[C@H]1[C@H](Cc2ccnc(COc3ccccc3)n2)[C@H](NCC2CCCCC2)C[C@H]1O 2356600425 LPZHBLYFKADUTE-CJRSTVEYSA-N 425.573 3.126 0 1 IGAF COC(=O)c1ccc(OC)c(OC)c1NC(=O)c1ccccc1NC(=O)c1cccnc1 2356836194 KYAGPABBQVDXHR-UHFFFAOYSA-N 435.436 3.390 0 1 IGAF C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)Cc1cccc2ccccc12 61927436 ZZJOOJAIIZFCSG-HSZRJFAPSA-N 440.496 3.018 0 3 IGAF C[C@]1(C(=O)NS(=O)(=O)Cc2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 61927976 WNKVKVLKSPRXJR-OAQYLSRUSA-N 446.956 3.009 0 3 IGAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cccc(Br)c12 3591453 CYIVBPAYCCHZOQ-UHFFFAOYSA-N 440.297 3.098 0 1 IGAF COc1c(N2CCC(=C(Cl)CN)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 9133469 CDXWJZWZGZTZCF-UHFFFAOYSA-N 435.883 3.234 0 1 IGAF COC(=O)c1ccc(C(=O)NC[C@H]2Cc3cccc(-c4ccc(C(=O)OC)cn4)c3O2)cc1 12079537 PBLOOOHGRYHKEY-LJQANCHMSA-N 446.459 3.055 0 1 IGAF COc1c(Br)cc(Br)c(CCNC[C@H](C)O)c1Br 13407385 NPRBTDVEJQEGKD-ZETCQYMHSA-N 445.977 3.496 0 1 IGAF biogenic Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)NC(=O)CO5)CC3)cccc2n1 22933643 JXYPPXBLBAOPFD-UHFFFAOYSA-N 432.524 3.071 0 1 IGAF CSc1nc(N)cc(-c2c(-c3ccc(F)cc3)ncn2CCCN2CCOCC2)n1 26833863 LULSKQMAZNSTDS-UHFFFAOYSA-N 428.537 3.173 0 1 IGAF CCn1nnc(-c2ccc(OCC[C@H](C)CCN3CCN(c4ccncc4)C3=O)cc2)n1 28474897 QHRKYRPAFCRBPM-GOSISDBHSA-N 435.532 3.492 0 1 IGAF Nc1nc(-c2cccc(C(=O)NCCc3ccc(O)cc3)c2)cn2nc(-c3ccco3)nc12 28524111 HSIJAPBQLXLZLC-UHFFFAOYSA-N 440.463 3.312 0 1 IGAF COc1cc(C2=NN(C(=O)COc3ccccc3)[C@@H]3CCC[C@@H]23)c(C)cc1OCC(=O)O 35003058 AJRNDBRFBAKLFK-IEBWSBKVSA-N 438.480 3.261 0 1 IGAF CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 40863656 KFTJUHRBTZLHBL-NHCUHLMSSA-N 430.504 3.497 0 1 IGAF C[C@H](Oc1cccc2nc(N(C)C)ccc12)C(=O)N1CCN(C(=O)c2ccccc2)C[C@H]1C 45261059 RTDHPLYJBCQAII-MOPGFXCFSA-N 446.551 3.441 0 1 IGAF COc1ccc([C@@]2(c3cccc(-c4cncnc4)c3)N=C(N)N3CC(F)(F)CN=C32)cc1 73294942 VTIOIFVOIUBNKP-QHCPKHFHSA-N 434.450 3.074 0 1 IGAF COc1cccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@@H](c2ccc(C4=CCCC4)cc2)[C@@H]3CO)c1 95797595 CXDBYTLNSJYCTB-GIFXNVAJSA-N 447.535 3.466 0 1 IGAF O=C(C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1(O)CCC1 100637031 SYCJEJIEIUMVKX-BGYRXZFFSA-N 427.589 3.209 0 1 IGAF CN(C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(CCCO)c4n3)nc2)CC1 169706800 COWADZBACSGMBW-UHFFFAOYSA-N 446.559 3.031 0 1 IGAF Cc1nc(N2CC(c3nc4c(C(F)(F)F)cccc4n3C)C2)cc(-n2nc(C)nc2C)n1 205351712 LRGBBJWLJGKDPB-UHFFFAOYSA-N 442.449 3.492 0 1 IGAF CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)Cc1noc(-c2ccc(F)cn2)n1 210460652 WRTKUBDGKZTJTN-HNNXBMFYSA-N 435.463 3.253 0 1 IGAF CCCSc1nc(N2CCN(C)CC2)ccc1C(=O)N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](O)(C3)C2 263620495 HCCPSOBZLRHGQN-JSBPFWTDSA-N 444.645 3.005 0 1 IGAF in-vitro CCOC(=O)c1nc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)nc2nn(C)cc12 299856362 BOYCMKKNTHYKDC-UHFFFAOYSA-N 429.436 3.027 0 1 IGAF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(F)c(Br)c3[nH]2)cc1 586931449 CSEWIQWDANXPOX-UHFFFAOYSA-N 428.283 3.294 0 1 IGAF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 586937517 FXBLSJKNCZJBHV-INIZCTEOSA-N 428.558 3.139 0 1 IGAF 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434.529 3.437 0 1 IGAF Cc1ccc(C(=O)OC[C@H]2CC[C@@H](n3cc(N(C)C4CCCCC4)c(=O)[nH]c3=O)O2)cc1 6004899 SCHMNKOTJDIBKS-CTNGQTDRSA-N 441.528 3.149 0 1 IGAF COc1ccc([C@@H]2Sc3ccccc3N(CCOC(C)=O)C(=O)[C@@H]2OC(C)=O)cc1 28221763 YLUJWLVIMYSNGT-RTWAWAEBSA-N 429.494 3.370 0 1 IGAF Cc1cc2nc(CO[C@H]3CN(Cc4ccc(S(C)(=O)=O)cc4)C[C@@H]3F)[nH]c2cc1C 2356527068 VNRGVYUPZWBZSU-RXVVDRJESA-N 431.533 3.322 0 1 IGAF O=C1C[C@]2(CCc3ccccc3C2)C(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1 64245778 WZOMICPSISNAGQ-RUZDIDTESA-N 437.971 3.396 0 1 IGAF CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@]34O)[C@@]2(C)C[C@@H]1O 2356695140 VGRYHTNZVZAKPS-OWNBGVBUSA-N 432.557 3.146 0 1 IGAF CCCn1ccc(-c2cc(-c3ncc(C)cn3)n3cc(NC(=O)NCC)nc3c2)cc1=O 45300972 GYWZWAMVOFEQQF-UHFFFAOYSA-N 431.500 3.480 0 1 IGAF COc1ccc(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)c(OC)c1 220235202 RTYLJDUZJLKAPJ-UHFFFAOYSA-N 433.511 3.492 0 1 IGAF CN1CCC[C@H]1COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2cccs2)n1 82081068 QOCJBDGICMTQKF-ZWKOTPCHSA-N 439.537 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3.068 0 1 IGAF O=C1NCCN1CCN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1 26375730 MYVPKBWFYFYMBK-GGAORHGYSA-N 426.511 3.184 0 1 IGAF CC(C)(O)[C@@H]1Cc2c3c(c4c(c2O1)C(=O)C[C@H](c1ccc(O)cc1)O4)C[C@H](C(C)(C)O)O3 34165798 MLJXXOUQWDXXEA-QRVBRYPASA-N 440.492 3.248 0 1 IGAF NC(=O)Nc1ccc(F)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 38945744 AIBNCLLVENCCGP-KRWDZBQOSA-N 449.910 3.179 0 1 IGAF CSc1nc(C)cc(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)n1 64527595 QGSXAJBDTYUXEY-UHFFFAOYSA-N 440.400 3.366 0 1 IGAF CCN(C)C(=O)c1ccc([C@H](c2ccccn2)N2CCN(Cc3ccccn3)CC2)cc1 73167460 JOLPIXRXMOTJNT-RUZDIDTESA-N 429.568 3.476 0 1 IGAF CC(=O)c1cccc(Nc2ncnc3cc4oc(=O)n(CCCN5CCOCC5)c4cc23)c1 84711832 RAEOEBBAAKUVNC-UHFFFAOYSA-N 447.495 3.206 0 1 IGAF O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(NC2CCOCC2)nc1C1CCCC1 101585372 WTLFXXIUVHGLEH-OHQUYELGSA-N 440.588 3.395 0 1 IGAF CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NCCCO)n3)cc2C)CC1 115625967 JRCGMSRJMZHIRM-UHFFFAOYSA-N 435.572 3.298 0 1 IGAF 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O=C(Cc1ccc(Cl)cc1)OC[C@H](O)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 1857745951 WMJSZSKLYVDEPK-BZMUBCNJSA-N 447.896 3.190 0 1 IGAF COc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@H](NC(=O)c4ccco4)C[C@@H]2C(=O)N3)cc1 2356814921 CMMSJIYCPLMQLY-LAUBAEHRSA-N 445.475 3.311 0 1 IGAF C1=CC(c2noc([C@H]3CCCN3Cc3cnc4ccccc4c3)n2)=C[C](N2CCOCC2)N1 2356867253 WBLYMKZIHREACW-JOCHJYFZSA-N 443.531 3.277 0 1 IGAF CC(=O)Nc1ccc2nc(CN3CCN(Cc4ccc(F)cc4)[C@H](CCO)C3)ccc2c1 36385758 LQXUYHLMQREKPR-XMMPIXPASA-N 436.531 3.401 0 3 IGAF CC(C)[C@H](NC(=O)CN1CCc2c([nH]c3ccc(Cl)cc23)C1=O)C(=O)C(F)(F)F 13740121 LQDUUYPWLMAYCF-HNNXBMFYSA-N 429.826 3.092 0 1 IGAF Cc1c2c(nn1-c1ccc(F)cc1)CCN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)C2 14948948 NSQJUUYMGHASTO-GOSISDBHSA-N 428.458 3.443 0 1 IGAF CCN1CCN(CCCNC(=O)c2ccc3nc(Cc4ccc(OC)cc4)oc3c2)CC1 22795524 KBFGOWZCZYESIQ-UHFFFAOYSA-N 436.556 3.185 0 1 IGAF Cn1c(Cc2ccc(F)cc2)nc2ccc(C(=O)NCc3ccc(F)cc3)c(O)c2c1=O 84655346 YTIQCVCYEVXWOB-UHFFFAOYSA-N 435.430 3.438 0 1 IGAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@H](CN)CC1 101464535 HAMKBSLGCXVDLO-OKILXGFUSA-N 444.532 3.330 0 1 IGAF CCCSc1nc(N2CCOCC2)ccc1C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 101550244 BWHZRRPXQJJVEO-KUSGPHIASA-N 431.602 3.090 0 1 IGAF CC(C)N1CCCN(C[C@@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S1(=O)=O 148507828 PGRZZVALMKITRN-QGZVFWFLSA-N 437.512 3.095 0 1 IGAF CN(CCOc1ccc([C@@H]2N(Cc3ccccc3)C(=O)C[S@@]2=O)cc1)c1ccccn1 169300293 NZCFSJWZAWEWED-XJFCNFDWSA-N 435.549 3.387 0 1 IGAF NC(=O)C1(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CCCC1 224726401 GZUMKUDADZDHMJ-UHFFFAOYSA-N 440.500 3.104 0 1 IGAF COC(=O)C(=O)c1c(-c2c(C)nn(C)c2C)[nH]c2c1c(Br)cc1n[nH]cc12 587622932 KFOYYXVLZDJDLF-UHFFFAOYSA-N 430.262 3.180 0 1 IGAF Cn1c(=O)n(CC(C)(C)C)c2ccc(N3C[C@H]4CC[C@H]3CN4C(=O)OC(C)(C)C)nc21 653867737 FYQHOZQRGLULQN-JKSUJKDBSA-N 429.565 3.369 0 1 IGAF Brc1ccc(C2=CSc3nnc(Cn4nnc5ccccc54)n3N2)cc1 957877265 DJPFGWZVIIMIAH-UHFFFAOYSA-N 426.303 3.481 0 1 IGAF CCN1CCCN(c2ncc(-c3cc4nccc(N=c5cncc[nH]5)c4cc3C)cn2)CC1 1857534302 BOVLQOMOCXPOAG-UHFFFAOYSA-N 440.555 3.488 0 1 IGAF C[C@H]1CO[C@H](c2cnc(N)c(O)c2)CN1C[C@@H]1C[C@H]1CCNC(=O)c1cc2ccccc2[nH]1 1857578268 CWMXNQGPSNVWGK-KOCGSJPCSA-N 449.555 3.069 0 1 IGAF COc1ccc2nccc(CC[C@H]3OC[C@H](NCc4cc5c(cn4)OCCC5)CO3)c2c1 1857652497 XSXONJWDSRZBAF-WBANQOEISA-N 435.524 3.427 0 1 IGAF O=C(NCCN1CCCC1)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1 6577284 AXLLKSKINQEWDL-UHFFFAOYSA-N 431.341 3.386 0 3 IGAF aggregator CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NC[C@H](O)CC 4296721 ORMAYFFABOHALT-AECOYVPUSA-N 442.512 3.081 0 1 IGAF O=C(c1cccc(Cl)c1)N1CCC2(CC1)C[C@H]2C(=O)N1CCN(c2ccccn2)CC1 12098500 OGWGOKRLZIALKV-FQEVSTJZSA-N 438.959 3.326 0 1 IGAF COc1ccc(CN2CCN(Cc3ccc(OC)c(OC)c3)C(=S)NC2=O)cc1OC 13652011 OELDXMGNVUAFEZ-UHFFFAOYSA-N 445.541 3.033 0 1 IGAF CCn1c(=O)c2c(nc(NC3CCCC3)n2Cc2ccc(OC)c(Cl)c2)n(CC)c1=O 13860293 IJDDORRYFPXKTK-UHFFFAOYSA-N 445.951 3.464 0 1 IGAF CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCC5CCCCC5)CO[C@@H]34)n2)cc1 25435416 QGFQEHPPKKLHLD-KEZOAJOQSA-N 437.588 3.326 0 1 IGAF biogenic CCCCC(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 28099843 YACZNKYXRHXWGF-UHFFFAOYSA-N 434.606 3.109 0 1 IGAF CN(C)c1ccc(C(=O)N[C@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)cc1 29408933 MKTBEDGUTVRUNF-FQEVSTJZSA-N 437.540 3.172 0 1 IGAF CCCCCCNC(=O)COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1 29470447 WNLMZJVRDURYKZ-OAQYLSRUSA-N 444.572 3.170 0 1 IGAF CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CC1 32016800 OCWHBDMTSZBIIF-UHFFFAOYSA-N 431.414 3.248 0 1 IGAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCCCCC(=O)NO 43194442 IOQWCOJYWWKHOW-ATVHPVEESA-N 442.491 3.449 0 1 IGAF O=C(NC[C@H](O)c1ccccc1)c1ccc(N2CCC3(CC2)Cc2ccccc2CO3)nn1 45351452 BCQSGWNKFDAIOL-QHCPKHFHSA-N 444.535 3.052 0 1 IGAF COc1ccc2cc3[n+](cc2c1OCC[n+]1ccccc1)CCc1cc2c(cc1-3)OCO2 49808142 SZJVMXBUMGSKBI-UHFFFAOYSA-N 428.488 3.454 0 1 IGAF Cc1cccc([C@@H](CO)NC(=O)C2=NC=C(c3nc(NOCC(F)(F)F)ncc3C)C2)c1 89469406 PBIYJSSDQYKPRM-QGZVFWFLSA-N 449.433 3.035 0 1 IGAF C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)CCN1 95598467 JWVLOVCLYNMIKB-FQEVSTJZSA-N 438.591 3.494 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)NC[C@@H]1C 95688232 XIVHHYMBMNMMDK-DMPWYTOCSA-N 443.519 3.172 0 1 IGAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1CC1CCCCC1 95880014 DKKPZMFVJHFNGY-CJTFWIGWSA-N 436.552 3.232 0 1 IGAF COc1ncc(Nc2ncc([C@H](C)N3CCOCC3)cc2-c2cc(N)nc(C)n2)cc1F 113152831 DODICWVNTJJJPT-ZDUSSCGKSA-N 439.495 3.109 0 1 IGAF NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5[nH]cnc5c4)c3)ncnc12 114348605 QQCDNHWVJDMTCC-UHFFFAOYSA-N 437.463 3.469 0 1 IGAF O[C@@](CN1CCC(OCc2ccccc2)CC1)(Cn1cncn1)c1ccc(F)cc1F 169323115 SSMCDZQDGVPZSD-QHCPKHFHSA-N 428.483 3.125 0 1 IGAF CO[C@]12C=C[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 169347764 XVYOYDMPQDIKGL-NISPYUBJSA-N 425.569 3.410 0 1 IGAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCCc3cc(Cl)ccc32)CC1 253992235 TXZMCETXZQEIQB-RUCARUNLSA-N 442.025 3.095 0 1 IGAF Cc1cc2c(cc1Cl)C(=O)[C@H]([C@@H]1N[C@H](C(=O)O)Cc3c1cnc1ccccc31)C(=O)O2 963222098 GGHSKGPLXRJMLQ-YSIASYRMSA-N 436.851 3.255 0 1 IGAF O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1Cc2ccccc2N(Cc2ccc(-n3cccn3)cc2)C1 1857753151 VXOUBYZFEWVLOA-VTZPFEBOSA-N 430.552 3.471 0 1 IGAF CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc(OCC)c2)o1 1857761827 UMZLRSIZOHTFQA-GOSISDBHSA-N 445.516 3.193 0 1 IGAF CC1=CCCc2cc(O)cc(c2)NC(=O)C[C@H](O)C=CC=CC=CC[C@H](O)[C@H](C)[C@@H]1O 2356794094 KXWDPYXMNSFEBO-RPRUZRNSSA-N 427.541 3.391 0 1 IGAF CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 59860185 PKCCKZIQHMGGEH-FUHWJXTLSA-N 427.578 3.125 0 3 IGAF COc1cc([C@@H]2c3cc4c(cc3[C@@H](C(=O)O)[C@H]3COC[C@H]32)OCO4)cc(OC)c1OC 64539091 CUGSLRQYJLSAJU-IALDWUNLSA-N 428.437 3.017 0 1 IGAF C=CC(=O)N1CCC[C@H](Nc2nc(Nc3ccc(N(C)C(=O)CC)cc3)nc3[nH]cnc23)C1 66099691 OTPQDXLFXQGSHS-INIZCTEOSA-N 448.531 3.058 0 1 IGAF O=S(=O)(C1CCCCC1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72101323 KYCIETWEYJWSRD-OAQYLSRUSA-N 434.993 3.500 0 1 IGAF COc1ccc(C2=NO[C@H](c3ccc(C)cc3)[C@@H]2S(=O)(=O)CC2=NCCS2)cc1 72118529 YZSPHQAZULQHHU-NHCUHLMSSA-N 430.551 3.408 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 82199942 NJHQPRWWXFCBSU-XSFGACHCSA-N 432.561 3.115 0 1 IGAF COc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 95797631 XZTHWMVTNWXISA-SONWIMMPSA-N 434.536 3.050 0 1 IGAF COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 95899995 IOCKXHBSWWFCEO-ICSUOEFDSA-N 430.432 3.027 0 1 IGAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2C[C@@H]3CNC[C@@H](C2)O3)ccc1Cl 101094913 YVDKBJBYBPODBK-MUWWIBJMSA-N 444.019 3.459 0 1 IGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@H]2CC3C[C@H]1CC(c1noc(=O)[nH]1)(C3)C2 101095882 BQNOGCJLFJZJQU-YVGCSWRCSA-N 431.920 3.436 0 1 IGAF O=C(c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1F)c1c[nH]c2ncncc12 113490478 WZVXQYZKRZTNMS-UHFFFAOYSA-N 432.383 3.407 0 1 IGAF NC(=O)n1cc(NC(=O)N2[C@H](C(=O)NCc3ccccc3F)C[C@H]3C[C@H]32)c2ccccc21 143936956 LLGWWLNMCYRYTI-XMCHAPAWSA-N 435.459 3.018 0 1 IGAF CCCCN1CCN(C(=O)N2Cc3c(NC(=O)c4ccccn4)n[nH]c3C2(C)C)[C@@H](C)C1 149359993 KWJVYDRHURRDLJ-INIZCTEOSA-N 439.564 3.034 0 1 IGAF C/C=C/C=C\C[C@@H]1C[C@H](O)[C@H]2[C@@H]3/C(C)=C/[C@H]4C=C[C@@H](O)[C@@H](O)[C@@H]4/C(C)=C/C=C\[C@@H]3C(=O)N12 255214800 HFNMIOGEGCXSJX-RNZBSSMFSA-N 437.580 3.072 0 1 IGAF Cc1cc(N2CCN(CCCCNC(=O)c3cn4ccccc4n3)CC2)nc(C(C)(C)C)n1 299827776 HWNDEDIZZJRHGF-UHFFFAOYSA-N 449.603 3.062 0 1 IGAF COc1ccccc1N1CCN(C[C@@H]2C(=O)O[C@@]34[C@@H](CC[C@@]5(C)O[C@H]53)[C@@H](C)CC[C@@H]24)CC1 299884231 SRNHEUPEANGIAG-OJPHBQGPSA-N 440.584 3.343 0 1 IGAF COCCN1C(=O)[C@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2cc(Br)ccc21 587416800 FSGIIIIBGZIVTK-VFNWGFHPSA-N 444.281 3.094 0 1 IGAF O=C(/C=C/c1ccccc1)N[C@@H](COC(=O)Cc1ccccc1)C(=O)NC1CCCCC1 653797813 LJICRVMDNLHFCZ-OFYULWLWSA-N 434.536 3.419 0 1 IGAF C[C@H](c1ccc(S(C)(=O)=O)cc1)[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962995771 OTUMIVQOYYNDOS-OETHJERPSA-N 429.872 3.465 0 1 IGAF Cn1c(=O)n(CCC(C)(C)O)c2cc(N=c3[nH]c(N4CCCCC4)ncc3Cl)ccc21 1857568553 FSFVNNLHBQGJID-UHFFFAOYSA-N 444.967 3.100 0 1 IGAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C[C@H]2CCCO2)[C@@H](C)C(=O)N3C)cc1 1857746623 NJCKTHYQQQZAAB-FUHWJXTLSA-N 429.542 3.146 0 1 IGAF c1ccc(Cn2c(Cn3cnc4c(N5CCOCC5)ncnc43)nc3ccccc32)cc1 1857756186 OJVHHUAFQWJHAA-UHFFFAOYSA-N 425.496 3.109 0 1 IGAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2NC(=O)[C@@H](N)Cc1c[nH]cn1 61946708 MGSCSNZRAARZBH-DKXQRPFASA-N 426.605 3.088 0 3 IGAF O=C(NCc1ccc2c(c1)OCO2)c1cccn2c(=O)c3c4c(sc3nc12)CCCC4 9677769 ZUINSSMINRFHAR-UHFFFAOYSA-N 433.489 3.447 0 1 IGAF O=C(c1cccc(Cl)c1)N1CCC2(CC1)C[C@@H]2C(=O)N1CCN(c2ccccn2)CC1 12098499 OGWGOKRLZIALKV-HXUWFJFHSA-N 438.959 3.326 0 1 IGAF CCCc1nc(C)n2c(=O)n(C)nc2c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13737983 CJCGCOGXWYIGGD-UHFFFAOYSA-N 440.511 3.127 0 1 IGAF O[C@H]1CCN(Cc2ccccc2Br)C[C@H]1N1CCN(c2ccccc2)CC1 38156628 NXSBLNXROUIMTM-YADHBBJMSA-N 430.390 3.207 0 1 IGAF O=C1NCc2[nH]c3c(ccc4cnc(-c5cccc(OCCN6CCOCC6)c5)cc43)c21 72140834 TUZYUHMHEXTLNB-UHFFFAOYSA-N 428.492 3.338 0 1 IGAF CCOc1ccccc1-c1nc(C(=O)N[C@@H](COCc2ccccc2)C(N)=O)cs1 82074518 VBEMROVONYXIPM-KRWDZBQOSA-N 425.510 3.009 0 1 IGAF CSc1ccccc1Nc1nc(N2CC3(CNC3)C2)nc2c(NCC3CC3)ncnc12 84596502 HWRXWXISYHCNJM-UHFFFAOYSA-N 434.573 3.117 0 1 IGAF in-vitro C[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccc(F)c(Cl)c2)C1 95579804 RPQPNGLFYHFUKB-GFCCVEGCSA-N 447.898 3.088 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)NC[C@H]1C 95680016 XIYJWSRTRLXHAA-DRSNIGMVSA-N 425.529 3.033 0 1 IGAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@@H]1CN(C)C(=O)C1CCC1 95701276 STOWNMHVDAONBA-DRSNIGMVSA-N 441.572 3.128 0 1 IGAF Cc1cc(C(=O)NC2CC2)ccc1N1CCN(Cc2cc(C)c3c(c2)NC(=O)[C@H](C)O3)CC1 96274107 FTXDIDQGGXAUGE-SFHVURJKSA-N 448.567 3.237 0 1 IGAF O=C(NC1CCC2(CC1)NC(=O)N(CCOc1ccc(F)cc1)C2=O)c1ccc(F)cc1 103187723 KYGUQACIWIYFFI-UHFFFAOYSA-N 443.450 3.007 0 1 IGAF COCCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCCOC)[C@@H]1/C=C/c1ccccc1OC 138234945 HYMYCQDHJAFMQD-XYURJSSKSA-N 445.512 3.069 0 1 IGAF CC(C)C[C@H](Nc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O 142422319 KTRXYGOCHJLGDE-SFHVURJKSA-N 437.475 3.486 0 1 IGAF CCOC[C@H](NC(=O)[C@@H]1CNC[C@H](C(=O)N(c2ccc(C(C)C)cn2)C2CC2)C1)C(C)C 144064809 FCXMKGICWADYMY-VWPQPMDRSA-N 444.620 3.103 0 1 IGAF FC1(F)CC[C@@H](Nc2nc(N[C@@H]3CCNC3)nc(-c3cccc(C(F)(F)F)n3)n2)C1 223137193 IXFTZPSJWXQNPG-GHMZBOCLSA-N 429.397 3.326 0 1 IGAF C[C@@]12CC[C@H]3[C@@](C)(CO)CCC[C@]3(C)[C@H]1CC[C@@H]1[C@@H](O)O[C@@H](C3=CC(=O)O[C@H]3O)C[C@@H]12 238767901 ILNQYSBBUXQHRX-LIRWJDAKSA-N 434.573 3.143 0 1 IGAF C[C@H](NC(=O)CC(F)(F)F)c1nc2c(I)cnc(Cl)c2[nH]1 587092708 AKBVCTRNAKHEMK-BYPYZUCNSA-N 432.571 3.346 0 1 IGAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587171341 NBIUNWYTGCEOIP-MRXNPFEDSA-N 442.560 3.348 0 1 IGAF CCOC(=O)C(=O)C[C@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587586928 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COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCCCC4)cc3C(=O)N2C)O1 203473696 PPMQZELLNPJBNM-YFVAEKQCSA-N 444.528 3.149 0 3 IGAF Cc1cc(=O)n([C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c2c1c(C)nn2-c1ccccc1 9645325 HSHIRSYICOEBBH-QGZVFWFLSA-N 444.491 3.410 0 1 IGAF COc1ccc([C@H]2/C=C/CN(S(C)(=O)=O)[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 15962584 UNBTUEBHVWATPH-ZAHAJLKSSA-N 432.517 3.124 0 1 IGAF COc1ccc(CCNCCCN2C=Cc3cc(OC)c(OC)cc3CC2=O)cc1OC 26404504 WOFZLEHLIVJVSP-UHFFFAOYSA-N 440.540 3.299 0 1 IGAF COc1ccc2cc([C@@H](C)C(=O)OCCCCOC(=O)CN3CCN(C)CC3)ccc2c1 29318729 YWODZLCRMGQTGJ-LJQANCHMSA-N 442.556 3.066 0 1 IGAF CC(C)(O)[C@@H]1Cc2c(c3c(c4c2O[C@H](c2ccc(O)cc2)CC4=O)O[C@H](C(C)(C)O)C3)O1 34165795 MLJXXOUQWDXXEA-FHWLQOOXSA-N 440.492 3.248 0 1 IGAF biogenic O=C1OC(c2ccccc2)(c2ccccc2)N2CCN(C(=O)NCc3ccc(F)cc3)C[C@H]12 36381389 OFXXHUFGFRCOAG-HSZRJFAPSA-N 445.494 3.480 0 1 IGAF COc1cc(CCN2C=CC=C3C2=Nc2ccccc2OS3(=O)=O)cc(OC)c1OC 40846795 JAWMMBQUPGXUDK-UHFFFAOYSA-N 442.493 3.421 0 1 IGAF O=C(N[C@H]1CCc2ccccc21)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 82219526 BNTVAZJVHSEMDJ-SSPYTLHUSA-N 448.567 3.460 0 1 IGAF COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 95899997 IOCKXHBSWWFCEO-ZWVMGRIOSA-N 430.432 3.027 0 1 IGAF COc1cc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc(OC)c1O 98083668 BJESKFMGMHBOAL-DXRVJIQQSA-N 427.497 3.492 0 1 IGAF CC[C@@]1(c2cccc(NS(C)(=O)=O)c2)[C@H]2CN(C[C@@H]3Cc4ccccc4[C@@H]3O)C[C@H]21 101473513 BRMAAOWSKNFCJL-QTTGFBFGSA-N 426.582 3.173 0 1 IGAF O=C(CCc1cc(=O)[nH]o1)NC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1 217412264 CJQTVHPJCIVSKK-UHFFFAOYSA-N 442.299 3.125 0 1 IGAF O=C(NCCN1C[C@@H]2CC(n3c(=O)[nH]c4ccccc43)C[C@H]2C1)[C@@H]1C[C@H]1c1ccccc1 299840108 UMHGFJLIEZATMX-BLKABHOGSA-N 430.552 3.132 0 1 IGAF O=S(=O)(c1ccc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2c1)N1CCOCC1 587080645 RWXCESRMOGTYFS-UHFFFAOYSA-N 430.917 3.240 0 1 IGAF C[C@H](NC(=O)[C@@H]1C[C@H]2C(=O)CC(C)(C)C[C@@H]2NC1=O)c1noc(-c2ccc(Cl)cc2)n1 618014598 HOMMZIGEHJGCKC-MWNCTCPHSA-N 444.919 3.077 0 1 IGAF C[C@H](Oc1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1)C(=O)O 962713243 OADYUZKLPSBNNV-OCAXQNDTSA-N 427.350 3.385 0 1 IGAF C[C@H](Oc1cccc([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)c1)C(=O)O 962713246 OADYUZKLPSBNNV-QUEBZJCTSA-N 427.350 3.385 0 1 IGAF COc1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)ccc1-n1nc(C)cc1C 1772643015 VXEWXGDRFKSZJF-UHFFFAOYSA-N 440.525 3.208 0 1 IGAF CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)c(-c2cn(C)c(=O)c3cncn23)c1 1857588389 BMFTZYCSTVPXQP-UHFFFAOYSA-N 442.472 3.393 0 1 IGAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1)c1ccc(C(F)(F)F)cc1 2356298530 JLAADIUSTBPTDX-LMMKCTJWSA-N 427.536 3.194 0 1 IGAF COc1ccc(NC(=O)c2ccc3c(=O)n(C[C@@H]4CCCO4)c(S)nc3c2)c(OC)c1 3631973 GALXMHNCUFRQJX-HNNXBMFYSA-N 441.509 3.134 0 1 IGAF COc1ccc(S(=O)(=O)N2C[C@H]3C[C@@H](C2)c2ccc(-c4cccs4)c(=O)n2C3)cc1 25232596 XQSAWRCDTNVWPE-CVEARBPZSA-N 442.562 3.393 0 1 IGAF biogenic COC(=O)C/C=C/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 27627059 FDLAWQMKYQSKSJ-HAHIBVEXSA-N 436.932 3.059 0 1 IGAF CC(C)CCNC(=O)[C@@H](NC(=O)[C@H](CC(=O)[C@@H](N)CC(C)C)Cc1ccccc1)C(C)C 29203387 QZUXJQWIIVGFJI-FIXSFTCYSA-N 445.648 3.481 0 1 IGAF CC(C)(Cc1ccc(Br)cc1)NC[C@@H](O)c1cc(O)cc2c1OCC(=O)N2 34630845 CUTPRGMUKBUUQS-QGZVFWFLSA-N 435.318 3.130 0 1 IGAF COc1ccc(Nc2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)nn1 40976188 KDCLKSQWABSKKF-UHFFFAOYSA-N 438.513 3.280 0 1 IGAF COc1ccc(C(=O)NCc2cccc(C(=O)NCC[C@@H]3CCCN(C)C3)c2)cc1OC 45385929 AQYDBKYCZFZNAF-SFHVURJKSA-N 439.556 3.096 0 1 IGAF CC[C@@H](CO)N1C(=O)N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73224244 ADMQPLKCCKQMAJ-CEYNDMKZSA-N 431.492 3.363 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c(-c3cccc(C)c3)n2)CC1 82146659 SSCNHGKLPZDYOW-OALUTQOASA-N 435.572 3.239 0 1 IGAF CS(=O)(=O)c1ccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CC(O)C2)cc1 118260352 XUDCDMCLLSZLIV-OALUTQOASA-N 428.337 3.118 0 1 IGAF O=S(=O)(c1ccccc1)N1CCN(c2nc3ccccc3nc2Nc2cccnc2)CC1 144384382 CRAUPLUIQQOCSH-UHFFFAOYSA-N 446.536 3.279 0 1 IGAF NC(=O)C12CC3C[C@@H](C1)C(OC(=O)N1CC[C@@H](c4nccc(C(F)(F)F)n4)C1)[C@@H](C3)C2 147279337 KLGWUQXUIBHPGO-RMHUESLMSA-N 438.450 3.102 0 1 IGAF O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 194944932 SAHCFCFOKRFDAF-PPMYUTJDSA-N 439.987 3.295 0 1 IGAF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586938263 PQSNFMCJWXUSBT-KRWDZBQOSA-N 441.962 3.295 0 1 IGAF COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cnc(N)cc5[nH]4)[nH]c23)cc1 586952382 CMPLONFZDKTHLO-UHFFFAOYSA-N 434.481 3.498 0 1 IGAF CS(=O)(=O)c1ccc2nc(C[C@H]3CC(=O)Oc4cccc(Br)c43)[nH]c2c1 587004804 YPIVWIVHAVOOHZ-JTQLQIEISA-N 435.299 3.364 0 1 IGAF CNS(=O)(=O)c1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587611053 ZFTBJBUCHCDGOW-KNQAVFIVSA-N 425.462 3.177 0 1 IGAF C[C@@H]1CC[C@@H]2N[C@H](C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)CC(=O)[C@@H]2C1 618014870 KBYRKXRCNYEWKQ-MPTQWLOMSA-N 426.344 3.126 0 1 IGAF Fc1ccc(CNc2ccnc(N3CCC4(CCN(C[C@@H]5CCCN5)C4)CC3)n2)c(F)c1 653847484 FSDWNJPKSHXSJP-FQEVSTJZSA-N 442.558 3.411 0 1 IGAF Nc1c([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)ccnc1Br 962709765 RTUJYFZCIQHZPP-AAEUAGOBSA-N 434.187 3.273 0 1 IGAF COC(=O)[C@H]1CN(Cc2ccccc2)CC[C@@]12NCCc1cnc3c(OC)cccc3c12 963042046 ZUHFMMWBMXAQPN-QFQXNSOFSA-N 431.536 3.280 0 1 IGAF CCOC(=O)C[C@@]1(c2cc(F)c(F)cc2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963223527 BGIBUSXAKBYORV-REWPJTCUSA-N 444.409 3.448 0 1 IGAF COc1cc(CN2C[C@@H](F)[C@H](OCc3nc4ccc(F)cc4[nH]3)C2)cc(OC)c1OC 2356299695 MNNOVQHKSJIVMZ-FOIQADDNSA-N 433.455 3.467 0 1 IGAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)c3ccccc3F)CC2)cs1 2356324465 JBPABXIMMPETFU-INIZCTEOSA-N 433.549 3.017 0 1 IGAF CCC(=O)O[C@@H]1[C@H](OC(C)=O)O[C@@H]2O[C@@H]3OC(=O)C(=CC=C4CCCC(C)(C)C4)[C@@H]3[C@@H]21 2356647952 JCWZFOPWRPXHOD-GOLQWDRCSA-N 434.485 3.152 0 1 IGAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@]23OC(=O)C=C[C@H](O)C[C@@H](CO)CC1 2356790723 FXEKGZBREDRTQE-CSDCJJAJSA-N 445.600 3.297 0 1 IGAF Cc1cc(C)c2nc(N3CCC[C@H](C(=O)N4CCN(c5ncccn5)CC4)C3)sc2c1 8671866 NQVXHWYUWWTGOD-SFHVURJKSA-N 436.585 3.268 0 3 IGAF O=C1c2ccccc2S(=O)(=O)c2cc(N3CCC(C(=O)N4CCCCC4)CC3)ccc21 12479934 OHOAVZWKGZHXNU-UHFFFAOYSA-N 438.549 3.293 0 3 IGAF COc1cc(C[C@@H]2CO[C@H](O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 13411706 PIYHDSUVUSVLGU-OJLQRUNKSA-N 448.512 3.104 0 1 IGAF endogenous,in-man CCN(CCCN1CCN(c2ccccc2OC)CC1)S(=O)(=O)c1ccc(C)cc1 13584483 PODGMXBKKUXOJB-UHFFFAOYSA-N 431.602 3.227 0 1 IGAF O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 20558114 ZGLOWAKIKVYZHY-XLIONFOSSA-N 439.537 3.221 0 1 IGAF COc1ccc(OC)c(-c2nnc3n2ccc2nnc(-c4cc(OC)ccc4OC)n23)c1 28712773 YUSBQJZAOIILIK-UHFFFAOYSA-N 432.440 3.140 0 1 IGAF CC(C)c1cc(C(=O)N2Cc3cccc(OCCCN4CCOCC4)c3C2)c(O)cc1O 43132779 RKWHYDXSPNNDBR-UHFFFAOYSA-N 440.540 3.478 0 1 IGAF CCC(CC)O[C@@H]1C[C@H](C(=O)O)C=C(n2cc(CCc3ccccc3)nn2)[C@H]1NC(C)=O 64526931 LPDGAXHDUXJNCT-SXSPYAJSSA-N 440.544 3.087 0 1 IGAF COc1ccc(-c2cnc3nc(N)nc(N4CCN(c5ccccc5)CC4)c3n2)cc1OC 66258902 DENPTXVPDLTOBD-UHFFFAOYSA-N 443.511 3.013 0 1 IGAF COc1cc2nc(N3CCC[C@H](CO)C3)nc(NCCc3ccc(O)cc3)c2cc1OC 82127950 XJBTUUKFFPGDEL-KRWDZBQOSA-N 438.528 3.216 0 1 IGAF CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC)C[C@@H](C)[C@@H](OC)CN(C)C2=O 95688039 XSKPUOALZGMDOU-FGSXEWAUSA-N 448.608 3.434 0 1 IGAF COCCn1c(=O)nc(-c2ccc(NC(=O)[C@@H](C)N(C)C)cc2)c2oc3ccccc3c21 103135388 RDMKROAACRJCPT-OAHLLOKOSA-N 434.496 3.345 0 1 IGAF COc1ccc(C2=NN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)C[C@H]2C)c(OC)c1 103211393 MBKLFZYRORURQR-GFCCVEGCSA-N 437.905 3.112 0 1 IGAF CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(-c3ccccc3)c2C)cc1 142280594 MCFYSPBESUIDOY-DFLSAPQXSA-N 448.559 3.330 0 1 IGAF Cc1ccc(-n2nc(-c3cncc(CO)c3)cc2NC(=O)c2cnn3cccnc23)cc1 145868022 TWMZXIVORBXYFP-UHFFFAOYSA-N 425.452 3.030 0 1 IGAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(COc2ccc(F)cc2)cc1 169290460 KKAREXGDOFNMHY-RMCTWAPLSA-N 432.451 3.103 0 1 IGAF COc1cnc2c(Nc3cc(Cl)c(F)c([C@@]4(CF)N=C(N)O[C@@H]5C[C@@H]54)c3)nccc2n1 226088124 AIRVVSQMKHTADB-NOPHNCEQSA-N 446.845 3.468 0 1 IGAF NS(=O)(=O)c1ccc(N2C(=O)C(Cl)=C(Nc3ccc(Cl)c(Cl)c3)C2=O)cc1 473108269 LVBZAODOAZRVQJ-UHFFFAOYSA-N 446.699 3.077 0 1 IGAF CN(Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1)S(C)(=O)=O 587610444 XSSDRIIZJMKILX-RXVVDRJESA-N 429.450 3.080 0 1 IGAF COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NC[C@H]2CCCO2)C4)c1 1772577815 OLFFXISJVSENKJ-SJLPKXTDSA-N 425.554 3.141 0 1 IGAF C=CC(=O)N1CCc2[nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn3c2C1 1772585767 SEEJRWBTNZCBHF-UHFFFAOYSA-N 427.464 3.291 0 1 IGAF O=C(CCCC1=NS(=O)(=O)c2ccccc2N1)N1CCN(c2ccc(Cl)cc2)CC1 6577868 AHVBUXOSCUORFG-UHFFFAOYSA-N 446.960 3.372 0 3 IGAF aggregator CC1CCN(c2c(NCc3ccc(C(=O)N4CCc5ccccc54)cc3)c(=O)c2=O)CC1 20414681 VSACCLAPFNSVAW-UHFFFAOYSA-N 429.520 3.334 0 3 IGAF aggregator COc1cc(-c2noc(C)c2C(=O)N[C@@H](CO)Cc2ccccc2)cc(OC)c1OC 61969112 FDPOHGBARVQSKN-QGZVFWFLSA-N 426.469 3.009 0 3 IGAF COCCCN(C(=O)COc1ccccc1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 2491953 WWWCLFNJOYCIAR-HXUWFJFHSA-N 426.513 3.332 0 1 IGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 4049815 VYHWBENKUHVAAZ-UPVQGACJSA-N 435.524 3.306 0 1 IGAF COc1ccc(NC(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)N3CCCC[C@H]23)cc1OC 9777027 QUVTUUOYJAZNKQ-VGSWGCGISA-N 440.496 3.452 0 1 IGAF COc1cccc2c1CC[C@H]1CN(CCn3c(O)nc4c([nH]c5ccccc54)c3=O)C[C@@H]21 13807862 WIRHRVAPDHCAEN-HNAYVOBHSA-N 430.508 3.254 0 1 IGAF COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1OC 28522777 NSAZUOVLMZKJRI-RTBURBONSA-N 449.459 3.199 0 1 IGAF CC(C)(C)c1ccc(N2C(=O)[C@@H]3C[C@@H](NC(=O)[C@H](O)c4ccccc4)CCN3C2=O)cc1 34914122 MFAMIYQHFMRVFF-SESVDKBCSA-N 435.524 3.134 0 1 IGAF biogenic CC(=O)CCCCC[C@H](NC(=O)CN1CCN(C)CC1)c1ncc(-c2ccccc2)[nH]1 40422262 DVRMJBBYHFIUML-NRFANRHFSA-N 425.577 3.021 0 1 IGAF CCCCCCOc1ccc2cc(S(=O)(=O)N[C@H](CCC(=O)O)C(=O)O)ccc2c1 40866982 JGFNANFHPWZKBK-LJQANCHMSA-N 437.514 3.395 0 1 IGAF Cc1ccc(NS(=O)(=O)c2cc3c(cc2N2CC[C@H](N(C)C)C2)NC(=O)CC3)cc1C 73223383 NFXGFWJXAFTFGK-IBGZPJMESA-N 442.585 3.129 0 1 IGAF CCCN(C)C[C@@H]1Oc2ncc(-c3ccccc3OC)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95726432 QVNCVFKAODAXPC-BSRJHKFKSA-N 441.572 3.319 0 1 IGAF CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(F)cc(F)c3)C3CC3)c(=O)c2=O)c1O 101135419 YRIRIKSPUSIVKI-QGZVFWFLSA-N 441.434 3.275 0 1 IGAF COC1CN(C(=O)Nc2cnc3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nn23)C1 118236788 OFPUYTXFSMNQPA-QGZVFWFLSA-N 428.443 3.212 0 1 IGAF O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 168182000 MJBIRGVCYZCANP-UHFFFAOYSA-N 444.535 3.328 0 1 IGAF Cn1nnc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)SC[C@@H]3NC(=O)C2(N)CC2)n1 169697156 YCYBPINOGLKAOI-HNNXBMFYSA-N 444.923 3.091 0 1 IGAF CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)[C@H]3CCO)nn2-c2ccccc2)c1 169707054 CNPAHLXSVZWKDD-LEWJYISDSA-N 432.524 3.175 0 1 IGAF COC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(OC)nc5)cc4c32)CC1 203415535 NRCHETGDZOLUIQ-UHFFFAOYSA-N 447.495 3.362 0 1 IGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cncc(Br)c2[nH]1 586938558 WHPNFUJUTZAUHV-ZDUSSCGKSA-N 441.376 3.493 0 1 IGAF COC(=O)c1cc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2cn1 587170939 WCKFJWXGTVZBOG-UHFFFAOYSA-N 432.458 3.413 0 1 IGAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(C2CC2)n1 587232358 REABNZCLZODZMM-UHFFFAOYSA-N 443.529 3.174 0 1 IGAF CCOC(=O)[C@H](C)[C@]1(C(=O)OCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346592 JTEMFDZTGKIGHS-DPOVEGGPSA-N 430.428 3.391 0 1 IGAF CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587440372 YWLHHGZXHOMKFU-HOZJOUCCSA-N 445.512 3.392 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ncnc4c3cnn4C)CC2)N1 587765465 CIRBYSPFXVRKPA-LBPRGKRZSA-N 445.340 3.295 0 1 IGAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](C(=O)O)(c2cccnc2)N1C(=O)c1ccccc1 963441336 CLVKVDBTXACOPR-CPJSRVTESA-N 441.443 3.043 0 1 IGAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4C[C@@H]5CC[C@H](C4)N5)cc3F)sc2n1 1857618821 XQFXSKPPFDBZAP-IYBDPMFKSA-N 439.560 3.239 0 1 IGAF COc1ccc(NC(=S)NCCCn2cncc2C)cc1OCCC1CCNCC1 1857638516 BVPYMBDFKWACIV-UHFFFAOYSA-N 431.606 3.345 0 1 IGAF CC1=C[C@H](CN2CCC(C(N)=O)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356588069 HNQWBEHXAJTWHA-XUVXKRRUSA-N 440.592 3.065 0 1 IGAF COCCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccc3)[C@H](O)[C@H]2[C@H]1C 2356871824 YLMZDLCXQSMJKK-FZLOMCDISA-N 444.616 3.284 0 1 IGAF COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O 772773 ZJJUCJBBHZTDIR-QFUCXCTJSA-N 441.915 3.225 0 1 IGAF C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccccc2)nc(SCc2ccccc2)n1 3819838 RQVBICARYCQZPB-OAHLLOKOSA-N 430.555 3.362 0 1 IGAF CCN(CC)CCNC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@@H]1c1ccccc1OC 4041070 OGCCYSYFTNONGM-LADGPHEKSA-N 438.572 3.311 0 1 IGAF Cc1ccc(O)cc1Nc1cc(NCCN2CCOCC2)nc(-n2cnc3ccccc32)n1 28604179 LEJLOLDFFUBEFB-UHFFFAOYSA-N 445.527 3.317 0 1 IGAF CN1CCN(C(=O)c2ccc(C[S@](=O)c3cccc(Cl)c3)c(Cl)c2)CC1=O 40411714 MGPUWOBDBGFEMR-HHHXNRCGSA-N 425.337 3.215 0 1 IGAF O=C1CN(Cc2ccnc3ccccc23)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1 71318977 RNULMYCFESFLCX-UHFFFAOYSA-N 449.410 3.497 0 1 IGAF CC(=O)S[C@@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)[C@@H]2C1=O)C(C)C 72190159 RNXWIPULSBRWKV-GQUPQBGVSA-N 431.554 3.185 0 1 IGAF investigational COc1cc2nc(NCc3ccc(F)cc3)nc(N[C@@H]3CCCCNC3=O)c2cc1OC 82130459 BHXQGUWHORCDCA-QGZVFWFLSA-N 439.491 3.479 0 1 IGAF COc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1N1C[C@H](C)N[C@H](C)C1 95598524 BTZIFFTVNYFUFV-IYBDPMFKSA-N 426.542 3.231 0 1 IGAF O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@H]1CO 95906933 MUASOPIRAYEFMY-VDGAXYAQSA-N 449.910 3.329 0 1 IGAF COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(C(=O)O)cc3)C(=O)[C@@H]2ON1c1ccccc1 101520970 UZQXSLFMIBBIJF-FDFHNCONSA-N 444.443 3.445 0 1 IGAF Cc1ccccc1N1CCN(C[C@H](O)COCCOc2ccc(Br)cc2)CC1 103254508 VNFPKFYCBOMNSW-FQEVSTJZSA-N 449.389 3.336 0 1 IGAF COCCNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1 114767948 XJCOBLPEAJZIGO-UHFFFAOYSA-N 444.499 3.094 0 1 IGAF COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nn1CC(F)(F)F 148072414 AABAXIVPJBDKGD-ATCWAGBWSA-N 449.399 3.400 0 1 IGAF NS(=O)(=O)c1ccc(Cl)cc1NS(=O)(=O)CCc1ccc(Cl)c(Cl)c1 149056911 KERGBMOKJBJGJS-UHFFFAOYSA-N 443.761 3.279 0 1 IGAF COC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@@H]56)[C@H]4C3=O)c2)cc1 169295845 MXPJBCSKVPHJGA-JOLMYRCBSA-N 442.471 3.283 0 1 IGAF CCCC[C@]1(C(=O)OCC)N[C@@H](c2ccc(O)cc2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169365523 BZTWKTRXVDPWHM-HSGJQSDISA-N 436.508 3.334 0 1 IGAF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](N)Cc3cscn3)[nH]c2c1 587030070 ZSOVWRMAGVIOJD-CQSZACIVSA-N 429.527 3.071 0 1 IGAF CC1=C(c2ccc3nc(CN(C[C@@H]4CCCO4)C(=O)OC(C)(C)C)[nH]c3c2)NNC(=O)C1 587197971 YFBQFKYRZUNXCY-INIZCTEOSA-N 441.532 3.235 0 1 IGAF O=S(=O)(c1ccccc1Br)n1cc(CN2CCNCC2)c2ccccc21 1772575528 ZKNJWUNKULTZLZ-UHFFFAOYSA-N 434.359 3.046 0 1 IGAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2C[C@H](O)[C@@H](O)C2)c(-c2ccc[nH]2)c1 1772605334 UOOINAACKFTYJA-PMACEKPBSA-N 447.413 3.374 0 1 IGAF NC(=O)c1cccc(N[C@H]2C(=O)NCc3cccc(c3)NC(=O)OCCc3ccc2cc3)c1 1772606815 PZXFIUXZXJXYDG-JOCHJYFZSA-N 444.491 3.360 0 1 IGAF COc1ccc(NS(=O)(=O)c2ccc3c(c2)c2ccc(CO)cc2n3C)c(OC)n1 1772611156 HOYMPXZJSYCGNU-UHFFFAOYSA-N 427.482 3.037 0 1 IGAF Nc1c(C(=O)NCCc2ccc(N3CCNCC3)cc2)sc2nc(C(F)(F)F)ccc12 1857597536 XRIQUIJXTJTTFY-UHFFFAOYSA-N 449.502 3.279 0 1 IGAF COc1ccccc1N1CCN(CN2C(=O)c3c(c(C)n(-c4ccccc4)c3C)C2=O)CC1 1857602855 PTNGQUVJNJDFSL-UHFFFAOYSA-N 444.535 3.478 0 1 IGAF CC[C@H](C)[C@H](NC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O)C(=O)O 1857649908 DOWCBSLGSNICEW-GSZASRHSSA-N 433.501 3.264 0 1 IGAF O=C(Cc1ccc(N2CCC(F)(F)C2)nc1)N=c1ccn(Cc2ccc(F)c(F)c2)[nH]1 1857760645 WRNOOHMVZMXYDO-UHFFFAOYSA-N 433.409 3.053 0 1 IGAF CC(C)(C)c1nccc(C[C@@H]2[C@H](NCc3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@H]2CO)n1 2356288439 DJSDTXDDIHJYDT-VNTMZGSJSA-N 437.506 3.483 0 1 IGAF CC=C(C)C(=O)OC(C)(C)[C@@]1(CC2=CCNC(N)=C2)Cc2cc3ccc(=O)oc3cc2O1 2356836853 LEKZCYREQNPIJD-RUZDIDTESA-N 436.508 3.475 0 1 IGAF O=C(N[C@H]1CCN2C(=O)c3cc(C=Cc4ccc(O)cc4)ccc3NC(=O)[C@@H]12)C1CCCC1 2356846129 OKKIVLJVJPFIJI-XZOQPEGZSA-N 445.519 3.404 0 1 IGAF O=C(NCc1ccccc1)C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCCCCO)O1 13118615 ZNMXAZGJBVGHTM-WMZHIEFXSA-N 425.481 3.235 0 3 IGAF CONC(=O)c1cc(Nc2ncnn3cc(-c4nnco4)c(C(C)C)c23)c(F)cc1F 13645309 MMHADELJVDMSNQ-UHFFFAOYSA-N 429.387 3.216 0 1 IGAF COc1ccccc1N1CCN(CCN(C(=O)c2ccc(N)cc2)c2ccccn2)CC1 13740004 QGHPJAYYKBFAQZ-UHFFFAOYSA-N 431.540 3.141 0 1 IGAF CN1CCN([C@H](CN2CCN(CCC(=O)c3ccccc3)CC2)c2ccc(F)cc2)CC1 22928090 XJGAPXSPECFBHF-RUZDIDTESA-N 438.591 3.005 0 1 IGAF CCOC(=O)NC[C@H]1CN(c2ccc3c(c2)CCCc2c(-c4ccno4)n[nH]c2-3)C(=O)O1 28949345 DUROHNMRNFFGON-HNNXBMFYSA-N 437.456 3.292 0 1 IGAF Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cc(F)ccc2F)O1 28974553 XHVBOPHNTXLXJC-ONSXPEOJSA-N 425.332 3.032 0 1 IGAF CNS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(C(N)=O)cc3)c3ccccc23)cc1 40847764 ONTAAJMWGBTCAR-UHFFFAOYSA-N 433.493 3.047 0 1 IGAF C[C@@H](NC(=O)c1ccccc1)C(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ccccc1 73298655 SXOJFGMXGDJOOS-XXBNENTESA-N 430.504 3.389 0 1 IGAF CC[C@H](CC(=O)O)n1c(=O)c2ccncc2n(Cc2nsc3cc(C)cc(C)c23)c1=O 96170054 XWMWMZSXZMVLOD-CQSZACIVSA-N 438.509 3.259 0 1 IGAF CN1CCN(CCCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@@H]2c2ccccc2)CC1 104249186 CQAQDONUIPXBGH-JTHBVZDNSA-N 440.975 3.186 0 1 IGAF O=C(Nc1ccc(C2CCN(C(=O)[C@H]3COCCO3)CC2)cc1)N1Cc2ccccc2C1 166607287 INQOGRFDXHLMHI-HSZRJFAPSA-N 435.524 3.356 0 1 IGAF Cn1c(=O)n(CC(C)(C)C)c2ccc(C3=C[C@H]4CC[C@H]3CN4C(=O)c3cccnc3)nc21 204960032 IEVCDTZGMXQVPI-ZWKOTPCHSA-N 431.540 3.494 0 1 IGAF Cc1ccc([C@H](NC2=N[S@@](=O)N=C2Nc2cccc(C(=O)N(C)C)c2O)C(C)(C)C)o1 253869752 HNQKLXTUDLBLDQ-MYGHRHJXSA-N 445.545 3.174 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCN(C)CC3)s2)N1 587856837 ZCCOAPTYMKWZNS-APPDUMDISA-N 425.371 3.420 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccc(S(C)(=O)=O)cc1 587869157 CWLSFDVNPADUMZ-UHFFFAOYSA-N 425.388 3.065 0 1 IGAF CN1CCN(Cc2ccnc(NC(=O)Nc3cccc4c3[C@@H]3CCCCN3C4=O)c2)CC1 653733706 MWMTZLUYNDSKJP-FQEVSTJZSA-N 434.544 3.154 0 1 IGAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(C)c1cnc2ccc(Cl)nn12 963136287 DWFZVIZDFCAEKF-NSPYISDASA-N 449.920 3.349 0 1 IGAF Cc1nc([C@@H](NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)[C@H]2CCCCN2)[nH]c1CO 1772576000 LMBSXERDWURCBW-XLIONFOSSA-N 427.936 3.472 0 1 IGAF CCOCCOc1ccnc2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12 1772643976 RBCCFMSYLJQRBC-UHFFFAOYSA-N 442.537 3.338 0 1 IGAF O=C(NCc1ncccc1F)c1cnn(C2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 1857544729 DSFQWBBKPSWJKD-UHFFFAOYSA-N 433.491 3.061 0 1 IGAF CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccccc1F 13086226 JZOPEMBVMHINIY-LIRRHRJNSA-N 429.517 3.489 0 3 IGAF N[C@H](CC1CCCCC1)C(=O)N1CCN(CCCOc2ccc(C(=O)C3CC3)cc2)CC1 13444838 SIFNBTNSQZZNNX-XMMPIXPASA-N 441.616 3.490 0 1 IGAF COc1ccc([C@@H](CC(=O)O)Cc2nc(CCCc3ccc4c(n3)NCCC4)no2)cn1 28568683 YEEBBNWKQGDACU-QGZVFWFLSA-N 437.500 3.203 0 1 IGAF COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)CN(C)[C@@H]1C2 28950424 XKMXJZUDLOFARU-VDKIKQQVSA-N 433.596 3.075 0 1 IGAF O=C(c1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95866271 YVTZPJABQANEHK-SONWIMMPSA-N 430.479 3.304 0 1 IGAF O=C(c1cccnc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO 95871386 OHGDZNWQBVURKC-OBFCFGOSSA-N 439.515 3.063 0 1 IGAF COc1cc2c(cc1OC)CN(CCCN1CCc3cc(OC)c(OC)cc3C1=O)CC2 96285653 WMABPBDYDMOPQK-UHFFFAOYSA-N 440.540 3.168 0 1 IGAF CCNc1nc(Nc2cc(OC)c(C(=O)N3CCOCC3)cc2F)ncc1C(F)(F)F 169705143 XTJADGHTDPRYFZ-UHFFFAOYSA-N 443.401 3.291 0 1 IGAF CCCn1c2nc(C34CCC(O)(CC3)CC4)nc-2c2n(c1=O)C[C@@H](Cc1ccccc1)N2 169719755 VYQLPVCXWCTRIV-SGAUDOEVSA-N 433.556 3.328 0 1 IGAF CC[C@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)cc1OC 299875745 DKMBSKXNNVIXPU-PAXLWEDBSA-N 432.904 3.336 0 1 IGAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccco2)C1 299887960 ZRAHNJWHYBAVCY-GVDBMIGSSA-N 425.533 3.089 0 1 IGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)c1 586931209 YPJFPYIQSBNADS-UHFFFAOYSA-N 439.541 3.016 0 1 IGAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 587047843 AHKLIDIHYOJTSY-UHFFFAOYSA-N 436.303 3.334 0 1 IGAF CN(C)S(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587604900 AAYAHKNPZGWFLM-KNQAVFIVSA-N 425.462 3.345 0 1 IGAF CCN1C(=O)c2cccc3c(S(=O)(=O)N[C@@H]4CCN(C(=O)OC(C)(C)C)C4)ccc1c23 653733680 GDJLUVGLDOEVCC-CQSZACIVSA-N 445.541 3.108 0 1 IGAF CCn1c(=O)n(O)c(=O)c2cc(-c3cn(Cc4c(Cl)cccc4Cl)nn3)ccc21 1772637450 XFOSYGHCXOMSLN-UHFFFAOYSA-N 432.267 3.034 0 1 IGAF Cc1sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n2c1-c1cncnc1 1772640790 ZMXDMQPSSRDDMZ-UHFFFAOYSA-N 426.811 3.438 0 1 IGAF CCCCNC(=O)[C@@H](C(C)=O)N(CCc1ccccc1F)C(=O)C(=O)c1cccs1 205862701 CYEYVVMFKSBUSC-LJQANCHMSA-N 432.517 3.015 0 3 IGAF Cc1sc2nc(COC(=O)CNC(=O)c3c(Cl)cccc3Cl)[nH]c(=O)c2c1C 206493946 YVNDTFXQELVTFC-UHFFFAOYSA-N 440.308 3.381 0 3 IGAF COc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3ccsc3c2=O)cc1 2925267 JOYZJCFVMJVPRQ-UHFFFAOYSA-N 428.495 3.483 0 1 IGAF COc1cc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC)cc(OC)c1OC 14616668 QANVEMJNIGBOOO-UHFFFAOYSA-N 448.424 3.226 0 1 IGAF biogenic COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@H]2O 15262600 BFELOFVXWJZJNF-JHWMDXGOSA-N 432.469 3.093 0 1 IGAF biogenic Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(N[C@H](CO)Cc4ccccc4)cc[nH]c3=O)nc12 28703656 QYHQSWFHKDOPJR-SFHVURJKSA-N 440.507 3.428 0 1 IGAF O=C1NC(=O)C(c2ccc(Cl)cc2)=C1Nc1cccc(S(=O)(=O)C(F)(F)F)c1 45201909 SIKSIYHUNQPDMV-UHFFFAOYSA-N 430.791 3.113 0 1 IGAF CC[C@@H](CO)N1C(=O)N[C@@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73224246 ADMQPLKCCKQMAJ-OSWQYVSFSA-N 431.492 3.363 0 1 IGAF CCOC(=O)C1CCN(c2nc(NC[C@@H]3CCCO3)c3cc(OC)c(OC)cc3n2)CC1 82125209 RTYBZMHPUWOISZ-INIZCTEOSA-N 444.532 3.017 0 1 IGAF CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc(O)cc(O)c2)cs1 82195047 MFAHEPANQJGDMT-DJKXOVBDSA-N 433.574 3.494 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)NC[C@H]1C 95680010 XIYJWSRTRLXHAA-HYFFOGBASA-N 425.529 3.033 0 1 IGAF CN(C[C@H]1[C@@H](c2ccc(C3=CCCC3)cc2)[C@@H](CO)N1CCC(F)(F)F)S(C)(=O)=O 95798287 FKAVQVSZOQTIKZ-XUVXKRRUSA-N 446.535 3.226 0 1 IGAF CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(F)cc(F)c1 101135416 GVXHPTZRUCVIHJ-OAHLLOKOSA-N 429.423 3.275 0 1 IGAF CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cnccn2)C1 104554131 NGVKRWVDXLJUMD-VSOYCCJCSA-N 428.577 3.063 0 1 IGAF CN(C)S(=O)(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1 141779380 GQJDRCAZZLPXQO-UHFFFAOYSA-N 430.555 3.146 0 1 IGAF O=C(c1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CCC1 143498970 BHUGFIHRYIOPPC-JOCHJYFZSA-N 443.425 3.167 0 1 IGAF CN(C)c1ccnc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)c1 145485839 PGQUWZXMFPXHSD-JXFKEZNVSA-N 432.503 3.095 0 1 IGAF Cc1nc([C@H](O)[C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)sc1C 199435654 RTBVETUBOURPJC-LAUBAEHRSA-N 439.585 3.490 0 1 IGAF O=S(=O)(O)c1ccc2nc(Cc3csc(-c4ccc5c(c4)OCCO5)n3)[nH]c2c1 587016994 GKLSVCVQFDZNRA-UHFFFAOYSA-N 429.479 3.295 0 1 IGAF COc1cc(OC)c2[nH]c(-c3cc(I)c(N)cc3OC)nc2c1 587179116 QFHQXQCEJVROTO-UHFFFAOYSA-N 425.226 3.443 0 1 IGAF COc1ccc([C@@H]2[C@H](c3cc4c5c(cccc5n3)CC4)C(=O)C(=O)N2CCC(=O)O)cc1 587212245 MFVVLEOQHOOKCB-XZOQPEGZSA-N 430.460 3.053 0 1 IGAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587227370 LNQLDGUFOFITAT-UHFFFAOYSA-N 442.475 3.337 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(C=C(C(=O)NCCC(=O)O)Oc3ccccc31)CC2=O 587472184 YOFJOVPUYDTSKE-DEOSSOPVSA-N 437.448 3.073 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](c1cccs1)([C@H](C)N1CCN(CCO)CC1)CC2=O 587495491 RKDVIFGIUWCAPY-BXKMTCNYSA-N 444.597 3.265 0 1 IGAF CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(N)=O 587746860 ILGASOYBYFNOGZ-BIBXISHDSA-N 437.309 3.475 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ncnc4c3cnn4C)CC2)N1 587765454 CHSCQIWEHKTPCQ-LBPRGKRZSA-N 445.340 3.295 0 1 IGAF O=C(c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1)N1CCN(c2ccc(F)cc2)CC1 9490074 MWQZSEVCUHJSHP-XFDIAKHOSA-N 445.494 3.100 0 1 IGAF CCCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OCC 13833735 YKHIXAGPCBUIAJ-MOPGFXCFSA-N 434.533 3.135 0 1 IGAF Cc1cccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)c1 13859892 QAPJOZONDSMYPF-NRFANRHFSA-N 442.581 3.409 0 1 IGAF O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]2C1)c1cccnc1 25189900 GFPHDJUQZUHBMJ-FXAWDEMLSA-N 432.505 3.165 0 1 IGAF biogenic C[C@H](CCCNS(N)(=O)=O)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C 49807571 XDFUCQBRVHAWOS-RSRWNDFGSA-N 440.650 3.171 0 1 IGAF CNC(=O)c1nc2ccc(CCNC(=O)Nc3cc(C(F)(F)F)ccc3OC)cc2[nH]1 71329651 BFCLSCZXIZAQPT-UHFFFAOYSA-N 435.406 3.314 0 1 IGAF COc1cc2nc(N3CCN(C)CC3)nc(NCCc3ccc(F)cc3)c2cc1OC 82130125 QPKJEKBBRPEQSD-UHFFFAOYSA-N 425.508 3.193 0 1 IGAF CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)Cc2ccccc2OC)C1 82198165 PUXHPSCVUDKXLC-RBBKRZOGSA-N 442.531 3.479 0 1 IGAF O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@](F)(C3)C2 100065997 RUBWTVFAHWBQIP-NKIIOANBSA-N 440.485 3.255 0 1 IGAF O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1Nc1ccc(OCCCn2ccnc2)cc1 103271371 MHRPDZTYNYCVEB-UHFFFAOYSA-N 427.464 3.313 0 1 IGAF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC/C=C/S(=O)(=O)c1ccccc1 205802273 BZDPCYFUTIAHCA-QGRTWZNFSA-N 444.553 3.226 0 1 IGAF CS(=O)(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 587118135 KPNLXVCIIIPEBK-UHFFFAOYSA-N 437.241 3.187 0 1 IGAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c1 587148002 XLFFFODZIHHZBI-UHFFFAOYSA-N 441.440 3.390 0 1 IGAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](NC(=O)C(F)(F)F)c4cc5c(cc41)OCO5)[C@@H](C2)C3=O 587423814 ZMMGJIDCAMBIOQ-PXIJXODZSA-N 447.365 3.190 0 1 IGAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O[C@@H](C)C(=O)N(C)C 587427365 DHDMQDAWZUIPFU-IWBYOKNISA-N 425.481 3.438 0 1 IGAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4ccc(C(=O)O)c(N)c41)[C@@H](C2)C3=O 587434806 ZXWDIXDZXUFHQP-GKVSMKOHSA-N 427.412 3.211 0 1 IGAF COc1cc2c3c(c1)O[C@@](C)(c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H](C2)C3=O 587450744 UQFAVQMWTUGDSX-VOJFVSQTSA-N 428.293 3.312 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 587486365 XKSSOAGDUCOMBO-PUIBNRJISA-N 434.485 3.077 0 1 IGAF CCOC(=O)CCOCCCOCCc1nc2c(Br)cnc(Cl)c2[nH]1 587566384 KCKKUTMNRFXXJY-UHFFFAOYSA-N 434.718 3.293 0 1 IGAF COc1nc(N)nc(N2CCCC2)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587768717 VXHZPZIJRFACBK-QFYYESIMSA-N 436.329 3.193 0 1 IGAF COC(=O)C[C@@]1(c2c(F)cccc2Cl)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228093 HYKASMAMYAMBDT-XMSQKQJNSA-N 428.847 3.433 0 1 IGAF Cc1cc2c(cc1O)[C@]1(CCc3cc(I)ccc31)N[C@H](C(=O)O)C2 963466540 DHHLIKHVJHMHBE-QFBILLFUSA-N 435.261 3.094 0 1 IGAF CC1=C[C@H](CNS(=O)(=O)Cc2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356307699 LRJONMLWMPKLCQ-YTFSRNRJSA-N 448.629 3.210 0 1 IGAF O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 627438 FPTQRJBKCMEAEU-UXHICEINSA-N 433.508 3.255 0 3 IGAF CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@H]1CSC(=O)C1)c1ccc(F)cc1 8672788 YXPQVXIGAQQXOH-AUUYWEPGSA-N 429.517 3.489 0 3 IGAF CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3ccc(Cl)cc3NC(=O)[C@@]12C 36387202 GGNXPBORIIIXHK-JYISGYRJSA-N 440.883 3.436 0 3 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CCOCC1 773177 BOJHUWFILUGBKF-GMAHTHKFSA-N 440.496 3.053 0 1 IGAF CCCc1nc([C@@H](C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13745661 XHOWFCWWVKXYFG-CQSZACIVSA-N 432.484 3.483 0 1 IGAF CC(=O)Nc1ccc(CCOCCOc2ccc(OC[C@H](O)CNC(C)C)cc2)cc1 29348076 VXZHGZIHSLAWSW-JOCHJYFZSA-N 430.545 3.021 0 1 IGAF CC(C)C(=O)N(Cc1nccn1C)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1 36184779 ZOPDTZDAOOCUGI-UHFFFAOYSA-N 430.374 3.378 0 1 IGAF COC(=O)[C@@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1C(=O)OC(C)(C)C)C(C)C 40916469 UTWIXABRNLDNEN-OALUTQOASA-N 429.517 3.144 0 1 IGAF CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4C)cc3)[C@H]2C1 95874364 RSSVIUFKDKHCDB-SMIHKQSGSA-N 428.598 3.236 0 1 IGAF O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1OCCCN1CCN(c2cccc3ccccc23)CC1 101422232 RUFAUUMYKFPZQN-NVXDSCFRSA-N 431.536 3.091 0 1 IGAF O=c1cc(-c2ccnc(Nc3cc[nH]n3)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1 145015423 JTXMIZCNADXADW-QGZVFWFLSA-N 426.839 3.146 0 1 IGAF COC1CCC2(CC1)Cc1ccc(C(=O)O)cc1[C@]21N=C(N)N(Cc2ccccc2)C1=O 150067410 BMTRMIWZJLGIAV-GJWKQQKWSA-N 433.508 3.069 0 1 IGAF O=C(Nc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1)N1Cc2ccc(F)cc2C1 166182113 PPJADNKOAMVKMG-UHFFFAOYSA-N 446.486 3.126 0 1 IGAF COC(=O)/C=C\C/C=C\C[C@H]1[C@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 169292709 FNAMRDZHKYQEBA-ORDXAHMESA-N 436.932 3.059 0 1 IGAF in-man CN1C(N)=N[C@](C)(c2sc(-c3cnn(-c4ccccc4)c3)cc2Cl)CS1(=O)=O 208970026 XKLYFNQUOQRSQC-SFHVURJKSA-N 435.962 3.059 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(Cl)c(C)n3)CC[C@H]2C)c1 473117763 ZYPOYCFNYHNGOZ-OAHLLOKOSA-N 425.924 3.069 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1 586913784 ONYPGAJNTXJCKT-UHFFFAOYSA-N 429.542 3.396 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2c(N3CCNCC3)cccc21 587397498 BCFKDHOIBQJHKS-HHHXNRCGSA-N 439.515 3.440 0 1 IGAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC(=O)N3CCOCC3)cc1)CC2=O 587475204 NBMBVRMZCZITTL-VWLOTQADSA-N 439.508 3.463 0 1 IGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H]2OC(C)(C)O[C@@H]2CO[C@]12COC(C)(C)O2 587481339 BPLPJVNCLDDSTN-GNRVTEMESA-N 434.485 3.078 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2cnn(C)c2)(c2cnn(C)c2)N1 587763133 IIGLVBRRZPDTQA-MPBGBICISA-N 446.324 3.106 0 1 IGAF O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N(Cc1ccncc1)C[C@@H]1CCCO1 13596792 BSKMVQSJPKCQKE-SFHVURJKSA-N 436.468 3.001 0 3 IGAF CCCN1CC(=O)N2[C@@H](c3ccc(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 15955362 MMLKOAJNSYQTPE-DVECYGJZSA-N 433.508 3.280 0 1 IGAF biogenic CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(NC[C@H](O)CO)nc21 26664440 PLJOJDPNUGVHAF-FQEVSTJZSA-N 432.528 3.451 0 1 IGAF O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 95875722 CCWJFBVUUQTVRE-ISJGIBHGSA-N 446.526 3.348 0 1 IGAF Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1C1=C[C@@H](N)[C@H](O)CC1 96177734 MQPBLTYDXWTNQU-TZIWHRDSSA-N 436.462 3.295 0 1 IGAF O=C(O)CCC/C=C\C[C@@H]1[C@H](SC[C@@H](O)COc2cccc(Cl)c2)[C@@H](O)C[C@H]1O 100453830 KFUDFIMHDRJVLV-XFPUXHEVSA-N 444.977 3.124 0 1 IGAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(Cl)ccc32)CC1 101500655 WEBMMUHCVJHRCV-RHNCMZPLSA-N 425.982 3.298 0 1 IGAF CC1(C)NC(=O)c2c(ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)c2F)NC1=O 103298359 ZDVUHWLVMSINFE-UHFFFAOYSA-N 445.394 3.106 0 1 IGAF COc1cc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)ccc1N1CC[C@@H](O)C1 140559526 CSUYOWVTAHGJSU-LJQANCHMSA-N 436.899 3.385 0 1 IGAF O=c1cc(-c2ccnc(NC(CF)CF)n2)ccn1[C@H](CO)c1ccc(Cl)c(F)c1 144837827 QEHQYWPWDIMKOU-GOSISDBHSA-N 438.837 3.399 0 1 IGAF O=C(N[C@H]1CC[C@H](O)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 169704122 WTGWCKJMZHWOAA-GQIGUUNPSA-N 441.482 3.382 0 1 IGAF O=C(c1c(F)cccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](Nc1cnc(C(F)(F)F)cn1)C2 221042100 HEDNFKMOWILOKK-YUTCNCBUSA-N 447.396 3.073 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3C[C@H](Nc4ccc(C(F)(F)F)cn4)[C@H]2C3)n1 261093122 DUSWDGIUZGEZMC-JLJPHGGASA-N 443.433 3.100 0 1 IGAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=N)N)cc2[nH]1 586938116 UZZJVOBDGYHULX-MRXNPFEDSA-N 431.587 3.237 0 1 IGAF CCn1cc(Br)c([C@]2(/C=C\N(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587416515 CIUJXKPQWKZZHH-HSUXVVMDSA-N 432.318 3.392 0 1 IGAF CNS(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587839484 HHWQVUGKYJBRBM-VOJFVSQTSA-N 427.339 3.294 0 1 IGAF COC(=O)[C@@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962639428 UYOOMKWSVNFYCW-YJBOKZPZSA-N 429.778 3.254 0 1 IGAF CCN1C=C(C(=O)O)[C@@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c2cc(OC)ccc21 962732097 WSGOZGCWSNPCBD-AVRDEDQJSA-N 446.425 3.393 0 1 IGAF CN1C(=O)C[C@@H]2CN[C@](CCC(=O)O)(c3ccc4c(c3)C(C)(C)C(=O)N4)c3cccc1c32 963035061 WFANZNNIZVIZBS-DLUDVSRJSA-N 433.508 3.078 0 1 IGAF NC(=O)N1CCCc2cc(-c3cncc(-c4ccc(C(=O)N5CCOCC5)cc4)c3)cnc21 1772599176 HIZLJFVMOPVQSJ-UHFFFAOYSA-N 443.507 3.114 0 1 IGAF CCn1ccc(-n2nnc3c2C[C@H](C)N(C(=O)c2ccnc(C(F)(F)F)c2Cl)C3)n1 1772599698 ZOJCNUSMYFQWPW-JTQLQIEISA-N 439.829 3.138 0 1 IGAF C[C@H]1[C@H](O)[C@H](O)[C@H](C)N1C(=O)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772631018 CFHSTJILBNRLRV-HKKFXGGESA-N 447.413 3.396 0 1 IGAF CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(/C=C/C(=O)NC4CC4)cc3)c(F)c2)C(=O)O1 1857609627 YDEVQDOHIBNDMD-FZBXERKRSA-N 437.471 3.246 0 1 IGAF C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@H](C)[C@@H]2[C@@H]1O 2356551575 LEBCFQBYEGVFRS-HIMUFMBCSA-N 448.648 3.370 0 1 IGAF O=S(=O)(c1ccccc1Br)N(Cc1cn(Cc2ccccc2)nn1)C1CC1 96019405 MFZCRZIHHKCUKR-UHFFFAOYSA-N 447.358 3.442 0 3 IGAF O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc(Br)ccc1F 4205851 KYRXFZUOWNKWLZ-RDJZCZTQSA-N 441.684 3.442 0 1 IGAF CC(=O)N(C[C@H]1CCCO1)[C@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 5070517 ULTJLNFYGOFNHJ-ZVDOUQERSA-N 430.545 3.225 0 1 IGAF COc1cc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 32053325 QZKQNQVSTSAEEP-RBUKOAKNSA-N 442.464 3.129 0 1 IGAF CC(C)(C(=O)Nc1nnc([C@@]2(C)CCOC2)s1)S(=O)(=O)c1ccc(Cl)cc1 40845737 RZVOLNBRSAOMJA-KRWDZBQOSA-N 429.951 3.061 0 1 IGAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2C1CCCC1 43012393 PIQYAEAGBUUHCL-VWLOTQADSA-N 432.476 3.443 0 1 IGAF NC1=N[C@@](c2cccc(-c3cccnc3F)c2)(c2ccc3c(c2)OCCO3)C2=NCCCN12 45245270 WDVQMWDSGDTYIB-VWLOTQADSA-N 443.482 3.335 0 1 IGAF CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(Cl)c(Cl)c2)O1 95885987 IQIGJWNUIWVINT-YAJHFMINSA-N 445.387 3.019 0 1 IGAF Nc1ncc(-c2cccc(OC(F)(F)F)c2)nc1C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 101503413 KACWONWCFCFZRJ-PWAYVFETSA-N 448.445 3.294 0 1 IGAF COc1cc(OC)c(C(=O)CC(=O)c2cc(OC)c(OC)c(OC)c2OC)cc1OC 102943586 CHVACGOOXOYUAE-UHFFFAOYSA-N 434.441 3.203 0 1 IGAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccc5ccccc5c4-n4ccnn4)C[C@H]3C2)n1 167132573 FMMDXCLXFKEZTO-PMACEKPBSA-N 439.523 3.036 0 1 IGAF O=C(O)CCC/C=C\C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1SC[C@@H](O)COc1cccc(Cl)c1 169293021 KFUDFIMHDRJVLV-GTUPNMCBSA-N 444.977 3.124 0 1 IGAF in-man COc1cc2nc(/C=C/c3ccc4c(c3)OCO4)n(CCCN(C)C)c(=O)c2cc1OC 299854898 APJWMJOWAVBMTJ-VQHVLOKHSA-N 437.496 3.265 0 1 IGAF O=C1NCN(c2ccccc2)C12CCN([C@H]1CC3(CCNCC3)Oc3ccccc31)CC2 473127291 VNXWOQPUACCHRN-QFIPXVFZSA-N 432.568 3.061 0 1 IGAF CC[C@@H](c1nc2ccc(C(=O)N(C)C)cc2[nH]1)n1cc(I)c(C)n1 587184631 KAGJHMBZCAFCMD-HNNXBMFYSA-N 437.285 3.374 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](C)(Cn1nc(C(=O)OCC)cc1C(=O)OCC)CC2=O 587476250 QXPUUAFQLCWEBU-HSZRJFAPSA-N 444.484 3.319 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)c3cn(C)nc3C)c(=O)c3ccccc23)c(O)c1 587667697 QHPCACBSDPHWRG-UHFFFAOYSA-N 431.496 3.346 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C(O)O)N1 587685060 XHFUNIQHMGXGNG-XYZCENFISA-N 445.126 3.439 0 1 IGAF CCS(=O)(=O)N1CCC[C@@H](C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)C1 587863939 UAFLSRHPGSTLND-CYBMUJFWSA-N 445.463 3.279 0 1 IGAF COc1cccc(C2(c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)CCCC2)c1 587933808 VPQPEMXPLQGLOM-UHFFFAOYSA-N 448.567 3.182 0 1 IGAF CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cccc(O)c3s2)CC1 653807569 QNNZVYXKHPICLO-INIZCTEOSA-N 441.586 3.372 0 1 IGAF COc1ccc(Cn2c(=O)c(C(=O)NCCc3ccncc3)cc3c(N)cccc32)cc1 1772651874 RLOVNGVENRFTGD-UHFFFAOYSA-N 428.492 3.008 0 1 IGAF O=C1N=C(c2ccccc2Cl)NC12CCN(S(=O)(=O)c1cccc(Cl)c1)CC2 1857754659 WLEZOZKQRVLWDA-UHFFFAOYSA-N 438.336 3.093 0 1 IGAF COCC=Cc1cc(OC)c(O[C@H](CO)[C@H](OC)c2cc(O)cc(OC)c2)c(OC)c1 2356416833 HIENHJXRSIJBSM-FGZHOGPDSA-N 434.485 3.205 0 1 IGAF CCOc1ccc2[nH]c(=O)c([C@H](c3nnnn3Cc3ccco3)N3CCC[C@@H](C)C3)cc2c1 8034322 LZHNMKDOHFOONY-OPAMFIHVSA-N 448.527 3.376 0 3 IGAF COC(=O)[C@H]1C[C@@]2(c3ccccc3)c3ccccc3N(S(=O)(=O)c3ccccc3)[C@H]2N1 203471109 PDQSSKNLICZLCB-AGILITTLSA-N 434.517 3.043 0 3 IGAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NC2CCCCC2)C(=O)[C@@]31C 2114469 IPMVKPVQPJVLLW-LFPIHBKWSA-N 438.528 3.049 0 1 IGAF biogenic CC(C)(C)CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NS(=O)(=O)c2ccccc2)c1=O 25209694 ITOMRMZQFQIAML-SJORKVTESA-N 443.569 3.031 0 1 IGAF biogenic COc1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1N1CCN(C)CC1 28526326 OHBRURMYVYWCLY-UHFFFAOYSA-N 443.979 3.455 0 1 IGAF C[C@H]1CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)[C@H](C)c2nnc(C(F)(F)F)n21 28967422 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COc1nc(N)nc(N2CCCC2)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587768718 VXHZPZIJRFACBK-QLJPJBMISA-N 436.329 3.193 0 1 IGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CC2OCCO2)(c2ccc(Br)cc2)N1 962905249 ZDCDQDGQJVDIHQ-FXAWDEMLSA-N 436.277 3.194 0 1 IGAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3)n2)[C@H](NCc2ccc(F)c(F)c2)C[C@H]1O 2356388195 WEVBJGQAMZPVBS-BZRIBIQUSA-N 425.479 3.112 0 1 IGAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)c3cccc(F)c3)CC2)cs1 2356533755 RMWCYDZREWTNIZ-SFHVURJKSA-N 433.549 3.017 0 1 IGAF COc1ccc(NC(=O)[C@@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)cc1F 13831775 VRVGTPHHMPYMON-QFIPXVFZSA-N 436.439 3.487 0 3 IGAF CCOC(=O)[C@H]1[C@H]2COc3ccc(C)cc3[C@@H]2N2C(=O)c3ccc(C)cc3NC(=O)[C@@]12C 36387231 LEOIMPLHYWDXBN-CCIIEHSASA-N 434.492 3.399 0 3 IGAF CCCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)CC(C(=O)N(C(C)C)C(C)C)=C1C 95569074 YAMIGKNZDIEGHQ-FQEVSTJZSA-N 436.641 3.012 0 3 IGAF O=C(OCCc1ccccn1)[C@@H]1CCCN(C(=O)c2coc(-c3ccc4c(c3)OCO4)n2)C1 82087039 OBNGTQOXAPHKEY-QGZVFWFLSA-N 449.463 3.103 0 1 IGAF CCOC(=O)[C@]1(C(=O)Nc2ccc(OC)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95593134 IFDZUAKZGYYTSV-GAJHUEQPSA-N 429.469 3.397 0 1 IGAF COC(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95678616 CPFCVXYAQBATNY-IUKKYPGJSA-N 440.540 3.410 0 1 IGAF CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCC(O)CC4)cn3)nc2n1C1CCCC1 117733349 YCPKTALJJYQCLR-UHFFFAOYSA-N 449.559 3.348 0 1 IGAF COc1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1 139596197 CYTLHIHNUQEDEK-IRXDYDNUSA-N 435.528 3.151 0 1 IGAF COCCN1CCN([C@@H](CN2CCC(N3CCCCC3)CC2)c2ccc(C)cc2)CC1 203807861 KWFQAQWMBYBVJG-SANMLTNESA-N 428.665 3.250 0 1 IGAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@H](CN)CC1 254113593 HAMKBSLGCXVDLO-HDJSIYSDSA-N 444.532 3.330 0 1 IGAF C[C@@H]1CCCC[C@H]1NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc(C#N)cc1 299879224 KJSXTADYYLKQCS-OZOXKJRCSA-N 446.555 3.025 0 1 IGAF CCCCO[C@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2cnccn2)C1 299884763 UKOVKZHZXBQLHA-DUFJIPPSSA-N 428.577 3.304 0 1 IGAF CC(C)Oc1cc2nc(CN(C)S(=O)(=O)c3cccnc3)[nH]c2cc1Br 586929617 YXDDEJHHFILYDY-UHFFFAOYSA-N 439.335 3.328 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)c3ccncc3N)c(=O)c3ccccc23)c(O)c1 587667366 KHRHGBTWSZPYGZ-UHFFFAOYSA-N 429.480 3.281 0 1 IGAF CCOC(=O)C(=O)C[C@]1(c2c(F)cccc2F)NCCc2cc3cccc(OC)c3nc21 963062863 XSURAMNVSHLJCQ-XMMPIXPASA-N 440.446 3.433 0 1 IGAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(C)c1cnc2ccc(Cl)nn12 963136292 DWFZVIZDFCAEKF-WYRIXSBYSA-N 449.920 3.349 0 1 IGAF COc1ccc([C@@]2(c3cc(C)ccn3)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1OC 963521128 ARPDAKMTZLLLNZ-BVZFJXPGSA-N 434.492 3.312 0 1 IGAF CC(C)c1cc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(=N)N4)n2)n(C)n1 1772578153 NLXQVVUOVUDGPI-ZKTNFTSUSA-N 434.591 3.144 0 1 IGAF C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4ncsc4C3)c2cn1)c1ccccc1 1772618765 YBHIXJVAXABNNY-ZUOKHONESA-N 449.540 3.221 0 1 IGAF COc1ccc(C(=O)[C@H](C(=O)O)[C@@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772644344 LRVPTXGFQYAIDG-FPOVZHCZSA-N 449.525 3.038 0 1 IGAF Cn1nncc1[C@H](CC(=O)O)c1ccc(OC[C@H]2COc3ccc(Cl)cc3O2)cc1 1857775042 OSPCTENLXSMJAS-DLBZAZTESA-N 429.860 3.294 0 1 IGAF COc1ccccc1C(=O)N1CCN2[C@@H](CN(C(=O)c3ccc(Cl)cc3)CC2(C)C)C1 2356307542 AWIXNWYZWQILON-LJQANCHMSA-N 441.959 3.410 0 1 IGAF CCc1cc2ccc(OC)cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 13150914 KCJRWZWIKIAGGJ-UHFFFAOYSA-N 439.537 3.476 0 3 IGAF CCCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)CC(C(=O)N(C(C)C)C(C)C)=C1C 95569073 YAMIGKNZDIEGHQ-HXUWFJFHSA-N 436.641 3.012 0 3 IGAF O=C(N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)c1ccccc1)c1cccs1 198919465 ALMHLLWKAKAGRC-ICSRJNTNSA-N 425.554 3.269 0 3 IGAF C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NC[C@@H](c1ccco1)N1CCCCC1)C2=O 4167165 RNIRNQSBSOEUSI-XFAGBWLFSA-N 444.576 3.060 0 1 IGAF O=C(NCCCOc1cccc(CN2CCCCC2)c1)NCCNC(=O)c1ccccc1 13456624 YCWPEJPHPWIOSJ-UHFFFAOYSA-N 438.572 3.171 0 1 IGAF CCOC(=O)[C@H](CC(=O)N1CCC(Cn2c(C)nc3cnccc32)CC1)c1ccc(N)cc1 13863946 GPXMHLKBVVKXLO-OAQYLSRUSA-N 449.555 3.298 0 1 IGAF COc1cc([C@@H](O)[C@@H](C)Oc2c(OC)cc(/C=C\CO)cc2OC)cc(OC)c1OC 14611836 QHYPOKHWZKVCEW-LSLIGYIQSA-N 434.485 3.236 0 1 IGAF endogenous,in-man CN(C)C(=O)c1cccc(-c2cc(N3C[C@@H](N)[C@@H](c4cc(F)c(F)cc4F)C3)ncn2)c1 28899854 LUCRWOVIRFVMSM-OXQOHEQNSA-N 441.457 3.194 0 1 IGAF COc1ccccc1N1CCN(CCN2C(=O)[C@H]3Sc4ccccc4[C@H]3N=C2C)CC1 40943726 YTUVCBHWXNZHCJ-PKTZIBPZSA-N 436.581 3.293 0 1 IGAF O=C(Cc1ccsc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 43024725 CIJDMIDDQAIQKY-NRFANRHFSA-N 426.538 3.207 0 1 IGAF Cc1nc2nc(C(=O)Nc3ccnn3C)cn2c(-c2ccc(Cl)cc2Cl)c1CN 58575178 ZSANYRQZXIRJRH-UHFFFAOYSA-N 430.299 3.456 0 1 IGAF CNC(=O)c1cnc(N2CCN(C3CCN(Cc4cccs4)CC3)[C@@H](C)C2)c(Cl)c1 66076692 CJJZUZJVZHNJER-INIZCTEOSA-N 448.036 3.331 0 1 IGAF CN1c2ccc(Br)cc2[C@H]2[C@H](CCN2S(=O)(=O)c2ccccc2)[C@H]1CO 95878240 AOOQOKXOFHROHM-ATZDWAIDSA-N 437.359 3.012 0 1 IGAF CC[C@H](C)CNC(=O)[C@H](CC(C)C)N[P@](=O)(O)CNC(=O)OCc1ccccc1 98208165 BHKZMZPMRWFXJX-WMZOPIPTSA-N 427.482 3.222 0 1 IGAF in-vitro O=C(Cn1ncc2ccccc21)N1CCN(c2scnc2-c2nc3ccccc3[nH]2)CC1 143666314 FDBZJTIFWNJTHR-UHFFFAOYSA-N 443.536 3.385 0 1 IGAF O=C([C@@H]1CCCN(c2nc3nc(-c4ccnc(C5CC5)n4)[nH]c3cc2F)C1)N1CCCC1 221410224 AGETWKPMONJSMN-OAHLLOKOSA-N 435.507 3.270 0 1 IGAF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)cc2F)C1 299875018 CIILRPTZCQSRSC-LKUPVBHCSA-N 429.879 3.308 0 1 IGAF Cc1cc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125824 SKBPGKINCVNHED-UHFFFAOYSA-N 435.405 3.047 0 1 IGAF N[C@@H](N=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 587169946 LQWOVFQOUQXEDH-UXHICEINSA-N 439.472 3.494 0 1 IGAF CN(Cc1nc2ccc(I)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587171348 WPTNGJNELHJNIL-UHFFFAOYSA-N 445.257 3.127 0 1 IGAF COC(=O)c1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@H]4C3(C)C)[nH]c2cn1 587238032 AFRBOMLJTDFTHJ-DTJNWYTMSA-N 430.505 3.300 0 1 IGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CN1C(=O)CCC1=O)c1ccccc1 587580255 BGIXSQJFKFOTOH-RCZVLFRGSA-N 429.428 3.398 0 1 IGAF CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605245 BPSUQDNHLJEZRX-LLMIVBOJSA-N 443.521 3.207 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CSc1nc(O)cc(O)n1)C1CC1 587609393 VIYOFNFXOGAEHL-PGRDOPGGSA-N 438.461 3.496 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)c3cnn(C)c3C)c(=O)c3ccccc23)c(O)c1 587667965 XDBRQKQODKYIHO-UHFFFAOYSA-N 431.496 3.346 0 1 IGAF C[C@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963096926 DZPCLZALSRIOSH-CVDCTZTESA-N 430.545 3.131 0 1 IGAF CCOc1ccccc1[C@@]1(CCC2OCCCO2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963487931 FJUSWCFTQFSWOO-UQBPGWFLSA-N 441.524 3.485 0 1 IGAF CCOC(=O)[C@]1(c2ccccc2C2OCCCO2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963613616 VCNBCNRYFSLQCQ-PUAOIOHZSA-N 441.524 3.480 0 1 IGAF O=C(NCc1ncccc1F)c1coc(C2CN(CCCc3nc4ccccc4[nH]3)C2)n1 1857545025 RSJPKWVREVVWEK-UHFFFAOYSA-N 434.475 3.047 0 1 IGAF O=C(NCc1ccco1)[C@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 1857634286 MKIRXVMRZBTHAK-GOSISDBHSA-N 426.856 3.228 0 1 IGAF C[C@@H](CC(=O)NC(=O)c1coc(C=CC=CCCCCCCC(=O)O)cc1=O)C(=O)O 2356751887 VXFQAPGOPXEMPB-HNNXBMFYSA-N 433.457 3.002 0 1 IGAF CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1cccc(F)c1 13150668 GRIJHYHYGPHKFU-IFXJQAMLSA-N 429.517 3.489 0 3 IGAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2ccc(Br)cc12 3591480 OLEQTQPSKHWASS-UHFFFAOYSA-N 440.297 3.098 0 1 IGAF COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-n3ccnc3)cc2)CC1 13679123 NTASTGHPPLINPW-UHFFFAOYSA-N 433.556 3.213 0 1 IGAF in-vitro COc1ccc([C@H](O)[C@@H]2CO[C@@H](c3ccc(OC)c(OC)c3)[C@@H]2COC(C)=O)cc1OC 14435844 NKLSPZQYPWFUIO-LFVIRAHLSA-N 446.496 3.321 0 1 IGAF biogenic CS(=O)(=O)Nc1cc([C@H](O)CNC(Cc2ccccc2)Cc2ccccc2)ccc1O 26819692 SAOLMWVZETVVJP-XMMPIXPASA-N 440.565 3.241 0 1 IGAF O=C(O)C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)CCc1ccc(-c2ccccc2)cc1 27519641 XTRJAENNSAJIAU-QHCPKHFHSA-N 449.528 3.307 0 1 IGAF CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3cnc4ccccc4c3)C(=O)O2)cc1 40407035 DEQHLCSNLCBPHA-OMWANQMDSA-N 432.476 3.219 0 1 IGAF O=C(c1ccc(-c2ccc3nnc(-c4ccc5c(c4)OCO5)n3c2)cc1)N1CCOCC1 82081872 ICESXZZMFCJJDZ-UHFFFAOYSA-N 428.448 3.264 0 1 IGAF O=S(=O)(NC[C@@H]1CC[C@H]2[C@H](CN2Cc2cccc(-c3ccccn3)c2)O1)c1ccccc1 95797348 AZDNVLJOZOQLMI-TUSQITKMSA-N 449.576 3.459 0 1 IGAF COc1ccc2c(=O)c(Cc3c(OC(C)=O)ccc4ccc(=O)oc34)c(N(C)C)oc2c1 101142720 DHZDWYNMNUJDSM-UHFFFAOYSA-N 435.432 3.490 0 1 IGAF C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/[C@@H]3O[C@@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 169293471 MSHYYZSYRGWFES-WUIGZUEDSA-N 437.558 3.071 0 1 IGAF Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)N(CCN)Cc2ccc(Cl)cc2)c1 205404602 PVHLWFONRVJDKW-DEOSSOPVSA-N 427.976 3.478 0 1 IGAF CN1C(N)=N[C@](C)(c2cc(-c3nnc(-c4ccc(Cl)cc4)o3)ccc2F)CS1(=O)=O 209007443 WHQWMFSQEQLSFH-IBGZPJMESA-N 449.895 3.001 0 1 IGAF O=C1COc2ccc(-c3cccc(OC[C@H](O)CN4CCc5ccccc5C4)c3)cc2N1 218394072 XWWCODUZDKAVJC-JOCHJYFZSA-N 430.504 3.483 0 1 IGAF CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](C)[C@]2(C[C@H](c3ccoc3)O[C@@H]2O)[C@H]2CC[C@@H]3O[C@]3(C)[C@]12C 299816840 UIEULHLNJMJHQZ-YQXRJXSFSA-N 448.512 3.133 0 1 IGAF O=C(NC[C@H](O)c1ccccc1)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1ccco1 299876307 FKYANUQPMHROCJ-FSSWDIPSSA-N 440.540 3.309 0 1 IGAF COC(=O)c1ccnc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)nc12 587239933 OYCZTKSGMVOVOF-LIEFOEBCSA-N 430.505 3.300 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@]1(CC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594719 HZVMKVPTFCVZNN-GAJHUEQPSA-N 428.437 3.245 0 1 IGAF CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3sc(N4CCOCC4)c(C)c23)C1=O 1772622854 CCJCBPDHMNENII-UHFFFAOYSA-N 441.538 3.207 0 1 IGAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)c(Cl)c3)sc2n1 1857589120 QUTSMVSACBSFHS-UHFFFAOYSA-N 429.977 3.222 0 1 IGAF COCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CO)cc2)n1 1857637989 QVUHDJDKAUJCPM-UHFFFAOYSA-N 437.283 3.197 0 1 IGAF O=C1CCCC[C@@H]1NC(=O)[C@H]1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 1857638574 KNGBLOGTTSNSDD-GBXCKJPGSA-N 430.508 3.268 0 1 IGAF CCCc1ccc(CCC(=O)c2c(O)cc(O[C@@H](CCC(=O)O)C(=O)O)cc2O)cc1O 27429485 FXGNWHUYPBTNEK-FQEVSTJZSA-N 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3.195 0 1 IGAF Cc1n[nH]c(CN2C(=O)[C@H](NC(=O)c3cc4cc(Cl)ccc4[nH]3)Cc3ccccc32)n1 13587932 IUQPIQITRCMSQR-GOSISDBHSA-N 434.887 3.136 0 1 IGAF O=C(NCCc1ccc(O)c(I)c1)C(=O)c1c[nH]c2ccccc12 14676734 LYSQOZZYHKCETK-UHFFFAOYSA-N 434.233 3.020 0 1 IGAF biogenic COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)N(C(=O)CN1CCOCC1)CC2 35034009 FZGGBUJXFKMSOR-HSZRJFAPSA-N 430.932 3.164 0 1 IGAF CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C[C@H]1O 39034242 LSZYEBCGEREENJ-VDCJICNISA-N 432.557 3.146 0 1 IGAF CCCC[C@@H](CC)CNC(=O)[C@@H]1C[C@H](O)CN1c1nc(-c2cc(O)cc(O)c2)cs1 82195042 MFAHEPANQJGDMT-WNYOCNMUSA-N 433.574 3.494 0 1 IGAF CCOC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1cn(CCc2ccccc2)nn1 84739698 UYEVKMXQOQFADK-RBBKRZOGSA-N 436.537 3.340 0 1 IGAF COc1nc(N)ncc1-c1ccc(Cl)c(S(=O)(=O)Nc2cccc(F)c2F)c1 95578308 OPIOWYFBJZWXNE-UHFFFAOYSA-N 426.832 3.467 0 1 IGAF CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@@H]4CN[C@@H]4C3)c2c1Cl 95587981 JVBZZZXIXXRWOJ-IINYFYTJSA-N 438.948 3.071 0 1 IGAF NC(=O)[C@H](NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1)c1ccccc1 166544883 CFQNWHMLAYNWBI-OAQYLSRUSA-N 432.455 3.330 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@H](O)[C@@](/C=C/Cc4ccccc4)(CO)C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169365273 ZWVDVCFMIUCNEM-XRGCVBDWSA-N 447.575 3.113 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3C[C@@H](Nc4ccc(C(F)(F)F)cn4)[C@H]2C3)n1 261093123 DUSWDGIUZGEZMC-YSVLISHTSA-N 443.433 3.100 0 1 IGAF COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2ccnnc2)nc1OC 299828471 RFGLOWYLXMEGML-UHFFFAOYSA-N 442.479 3.251 0 1 IGAF [C-]#[N+]c1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CCS(=O)(=O)C(C)(C)C(=N)N3)c2)nc1 473228753 CYCLJRCGHAMVBG-NRFANRHFSA-N 443.504 3.403 0 1 IGAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(S(N)(=O)=O)cc4[nH]3)ccc12 586918885 RZBQFZOBUDYWKQ-UHFFFAOYSA-N 427.482 3.238 0 1 IGAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cccc(S(N)(=O)=O)c3[nH]1)N2 587030820 IWWZUEXYHFJNPM-SRMXYGTFSA-N 449.583 3.337 0 1 IGAF Ic1ccc(-c2nc3cncnc3[nH]2)cc1I 587178793 LTODYHBIZKWOJH-UHFFFAOYSA-N 448.005 3.229 0 1 IGAF CN1CCN(c2ccc3nc(C4(NC(=O)OC(C)(C)C)CCC(=O)CC4)[nH]c3c2)CC1 587234447 MOYFZNPDPQXDPS-UHFFFAOYSA-N 427.549 3.178 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccc(O)cc2)Oc2cc(O)cc(O)c21 587414534 VUIZKKBEAGQZKC-QPPBQGQZSA-N 433.416 3.258 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2ccc(OC(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587422027 BPTMFJVHPGPULS-QRQCRPRQSA-N 432.375 3.072 0 1 IGAF C[C@@H]1CCc2cc(C(=O)N(C)Cc3cnn(C)c3)ccc2N1C(=O)c1ccc(O)cc1O 653683863 ZVFIHSAIQWKOAE-OAHLLOKOSA-N 434.496 3.085 0 1 IGAF COc1ccc(-n2c(CN3NC(c4ccccc4)=CCC3=O)nnc2SCC(C)=O)cc1 957852772 DJHPUQWJVWGITI-UHFFFAOYSA-N 449.536 3.235 0 1 IGAF Nc1nc(Cl)c([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(N2CCOCC2)n1 962696830 GWYQHXCCIIMZDD-ACJLOTCBSA-N 449.983 3.141 0 1 IGAF CC(C)Nc1ncc2c(n1)CN(C(=O)N[C@@H](CCN)c1ccc(C(F)(F)F)cc1)CC2 1772653389 WVKHCAZURZXNHZ-KRWDZBQOSA-N 436.482 3.474 0 1 IGAF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@@H]3CCNC3)[nH]c3ccc(Cl)cc23)c1 1857593229 LCDMCSOTUWCGIZ-OAHLLOKOSA-N 431.945 3.363 0 1 IGAF Cn1c(=O)c(-c2ccccc2)c(O)c2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c21 704366 MEPNPPLCHPXERF-UHFFFAOYSA-N 437.455 3.213 0 1 IGAF COc1cc2ncnc(N3CCN(C(=O)NCc4ccc(Cl)cc4)CC3)c2cc1OC 13491498 FFDNBPMZHAVDKK-UHFFFAOYSA-N 441.919 3.332 0 1 IGAF COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc(OC)cc2OC)CN1Cc1cccc2ccccc12 14970436 FVKBGMPPTQVRJN-CVDCTZTESA-N 448.519 3.403 0 1 IGAF COc1ccc(NC(=O)Nc2cccc(C(=O)NCC[C@@H]3CCCNC3)c2)cc1OC 49803601 WFABZGIOZISUAJ-INIZCTEOSA-N 426.517 3.467 0 1 IGAF C[C@H](c1ccncc1)N1CCC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 58583624 QIOPJCKBSIHRGX-GOSISDBHSA-N 433.556 3.361 0 1 IGAF CCn1cc([C@H](NC2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)c2cccnc2)cn1 72102195 BQXPLSLDXAOCDJ-HSZRJFAPSA-N 439.585 3.050 0 1 IGAF CCOC(=O)[C@H]1CCCN(Cc2cn([C@@H]3CCCC[C@@H]3OC(=O)c3ccccc3)nn2)C1 73199799 XHWCBKCOVCEINV-NNWRFLSQSA-N 440.544 3.394 0 1 IGAF CCOc1ccccc1-c1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)OCCN)cs1 82069145 FLKPVSVUFUKSLG-GOSISDBHSA-N 439.537 3.052 0 1 IGAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccccc1F 82150927 LSLRJNHDHBXKAJ-FTRWYGJKSA-N 439.535 3.293 0 1 IGAF O=C(c1cnc(NCc2ccc3c(c2)OCO3)nc1-c1ccccc1F)N1CCOCC1 82151131 CNDDEGIVEIPKLW-UHFFFAOYSA-N 436.443 3.096 0 1 IGAF CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(-c3ccccc3F)nn2)CC1 95587336 DIMVXZPKRAVJHI-UHFFFAOYSA-N 437.566 3.477 0 1 IGAF CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@@H]1CO 95878242 AOOQOKXOFHROHM-SNRMKQJTSA-N 437.359 3.012 0 1 IGAF CN(C)c1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1 114345246 RKSDWJBFBPKMFN-UHFFFAOYSA-N 441.495 3.054 0 1 IGAF Cc1cccc2cc(Cn3nc(C#N)c4c(N)ncnc43)n(-c3ccccc3F)c(=O)c12 146063367 MPLCQEUUJAOLFE-UHFFFAOYSA-N 425.427 3.080 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1noc(-c2ccc(Cl)cc2)n1 226108138 HQFBCUBMPLPKFP-MISXGVKJSA-N 430.852 3.059 0 1 IGAF O=C1[C@H]2[C@@H]3c4ccccc4[C@H]([C@@H]4C(=O)N(c5ccccc5)C(=O)[C@H]34)[C@H]2C(=O)N1c1ccccc1 254080391 VOAQZUPZPIBDPI-XYSVYJLPSA-N 448.478 3.493 0 1 IGAF 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3.232 0 1 IGAF C[C@@]12C(=O)N(C[C@H]3CCCO3)CC(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 36389047 HZRVIHWEIRSQNK-FJDRFRCWSA-N 432.520 3.142 0 3 IGAF Cc1nc2ccc(C(=O)NCCCn3ccnc3)cn2c1N(C)C(=O)CCc1ccccc1 61904223 CFVBLRHEBXORER-UHFFFAOYSA-N 444.539 3.255 0 3 IGAF O=C(NCc1ccccc1)c1cc([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)on1 61928998 CCKROEYKODJIIN-MRXNPFEDSA-N 431.539 3.234 0 3 IGAF O=C(c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1)N1CCN(c2ccccc2F)CC1 9490080 DPPCDERPQRCHKO-XFDIAKHOSA-N 445.494 3.100 0 1 IGAF O=CNCCCCOc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1 13832057 HQWXWRKHMDXFBT-UHFFFAOYSA-N 449.551 3.176 0 1 IGAF C[C@H](C(=O)NCc1ccc(F)cc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 15954959 ADENIIFIXSWQJV-SHACYNPGSA-N 434.471 3.047 0 1 IGAF biogenic COc1ccc(C(=O)N[C@H]2CCN(Cc3ccc(OCCCN(C)C)cc3)C2)cc1OC 28470604 OTVOCVOBLQFMNX-NRFANRHFSA-N 441.572 3.039 0 1 IGAF CON(C)C(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)Cc1ccccc1 29560712 GLVBKGIWEPFSAW-VXKWHMMOSA-N 445.604 3.235 0 1 IGAF O=C1C[C@@H](c2ccccc2C(F)(F)F)C(=O)N1CN1CCN(c2ccccc2F)CC1 40411697 FIEJTGFHBAOSFC-INIZCTEOSA-N 435.421 3.467 0 1 IGAF C[C@]1(CO)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H](O)O[C@@H](C3=CC(=O)O[C@@H]3O)C[C@H]21 40954047 ILNQYSBBUXQHRX-WYQYDCGCSA-N 434.573 3.143 0 1 IGAF COc1cc(N(C(C)=O)[C@H](C)CCCN2C(=O)CN(C(C)=O)C2(C)C)c2ncccc2c1 45316759 VGINQQNRFGRYCP-MRXNPFEDSA-N 440.544 3.192 0 1 IGAF COc1ccc(CCNc2nc(N3CCN(c4ccccn4)CC3)ncc2C)cc1OC 82204393 PQIHOAWSQFNEMK-UHFFFAOYSA-N 434.544 3.178 0 1 IGAF O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccncc2)[C@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 95869370 BUXNMIFPDSBWFP-VXNXHJTFSA-N 445.519 3.416 0 1 IGAF C[C@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4cccc(O)c4)nc3n2)C[C@@H](C)O1 139485524 WLHRCVDODYFTBL-YESZJQIVSA-N 435.528 3.236 0 1 IGAF CCCc1[nH]nc2c1[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)[C@@H](C(=O)OC)C(=N)O2 169691180 LTCCOPMKGOMORD-NLFFAJNJSA-N 444.491 3.354 0 1 IGAF CN(C)C(=O)c1ccc(-c2noc([C@@H]3[C@@H]4C[C@H]4CN3C(=O)COc3ccccc3)n2)cc1 299857255 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COC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@H](C3=O)[C@@H]3C=C[C@H]4[C@@H]4C[C@H]34)c2)cc1 13617877 MXPJBCSKVPHJGA-OBHIHTNZSA-N 442.471 3.283 0 1 IGAF COc1ccc([C@@H](O)CO[C@@]2(c3ccccc3)c3ccccc3C(=O)N2CCCO)cc1 35064392 ZNAMHLZEYQNLAS-AHWVRZQESA-N 433.504 3.485 0 1 IGAF Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)COCc1ccccc1)CC3 82196040 WOFWNAYLYPDZMX-UHFFFAOYSA-N 448.548 3.015 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2ccco2)C1 82199408 MNAAZWILBCHUJW-MOPGFXCFSA-N 444.528 3.056 0 1 IGAF O=C(CCC1CCCC1)Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H]1CCCC[C@H]1N2 82206004 KDIWMWMCNIVUBC-RTBURBONSA-N 437.544 3.271 0 1 IGAF Cc1cccc(-c2c3c(nn2C)CCc2cnc(Nc4ccn(CCN(C)C)n4)nc2-3)c1 141180081 PPLBWEJYORMOAE-UHFFFAOYSA-N 428.544 3.453 0 1 IGAF C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C[C@@H](O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 169290703 RIJQQQOGGXBOKH-RPYBJVLYSA-N 439.574 3.054 0 1 IGAF C[C@@H](O)Cn1c2cnccc2c2cnc(Nc3ccc(N4CCC(N(C)C)CC4)cn3)nc21 169706807 GLEPOVWXFFRWSW-MRXNPFEDSA-N 446.559 3.029 0 1 IGAF C[C@H]1Cn2c(nnc2[C@H]2CCCNC2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl 219206448 DONQFFVGQPNRLB-RYUDHWBXSA-N 427.858 3.462 0 1 IGAF N#Cc1nc(-c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc(N2CCOCC2)n1 221211455 NOVDRUURHFEDJD-UHFFFAOYSA-N 428.374 3.453 0 1 IGAF COC(=O)c1cccc(-c2nc3nc(N4CCC[C@@H](C(=O)N5CCCC5)C4)ccc3[nH]2)c1 221403432 ICYBLNQEIOVQIH-GOSISDBHSA-N 433.512 3.250 0 1 IGAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(-c2cn[nH]c2)cc1F 221675413 ZSTVKHUONQKLGP-WVQJBOLRSA-N 430.415 3.024 0 1 IGAF O=C(NS(=O)(=O)N1CC(F)C1)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3C[C@H]3C2)cc1F 261174369 UMTGTYIFLKEQDR-VHDGCEQUSA-N 440.512 3.146 0 1 IGAF COCCOCCOCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444149 YLFRDCWCBZONRD-HYBUGGRVSA-N 428.481 3.242 0 1 IGAF COc1ccc([C@]2(CS(C)(=O)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587848795 IVSMMEYTMBPNCG-BUXKBTBVSA-N 442.350 3.419 0 1 IGAF O=C(c1ccco1)c1c(C(F)(F)F)[n+](=O)c2cc(Cl)c(N3CCOCC3)cc2n1O 653702259 HJSJYTQQHKSNOM-UHFFFAOYSA-N 444.773 3.126 0 1 IGAF CN1CCN(c2cccc([C@@H]3c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)c2)CC1 962661419 HXOJDOLMNIQYBG-ZEQKJWHPSA-N 430.552 3.175 0 1 IGAF COc1ccc([C@@]2(CCC3OCCCO3)N[C@H](C(=O)O)Cc3cccc(F)c32)c(OC)c1 962894050 HCRKRKBETKBQAE-YADARESESA-N 445.487 3.229 0 1 IGAF C[C@@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2c(F)cccc2C[C@@H]2CCCN21 963096932 DZPCLZALSRIOSH-WMZHIEFXSA-N 430.545 3.131 0 1 IGAF O=C(O)c1cccc(S(=O)(=O)NN2C(=O)CS[C@@H]2c2ccc(Cl)cc2Cl)c1 1642141 IBTOSTKIDLKSIR-OAHLLOKOSA-N 447.321 3.159 0 1 IGAF CCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cc(OC)ccc1OC 4500159 ULXQGMMBOAHALT-IFMALSPDSA-N 440.540 3.420 0 1 IGAF COC(=O)[C@@H]1CCCCN1Cc1nc(N2CCCCC2)c2cc(OC)c(OC)cc2n1 11973974 RYPDSTPCOZBKBD-SFHVURJKSA-N 428.533 3.165 0 1 IGAF O=C(C1CCN(c2ccncc2)CC1)N1CCN(Cc2ccc(Br)cc2)CC1 13835774 KIZDFPRICPPHRN-UHFFFAOYSA-N 443.389 3.405 0 1 IGAF CCSc1ccc(OCc2nnc3n2N=C(NC(=O)c2ccccc2O)CS3)cc1 28709031 CLPDTASQVIURMO-UHFFFAOYSA-N 441.538 3.372 0 1 IGAF CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3cnc4ccccc4c3)C(=O)O2)cc1 40895565 DEQHLCSNLCBPHA-QSOCIONNSA-N 432.476 3.219 0 1 IGAF O=S(=O)(c1ccccc1)N1CCC(N[C@H](c2cnccn2)c2ccc(F)cc2F)CC1 72103299 OJBNUNIITYUMIO-QFIPXVFZSA-N 444.507 3.287 0 1 IGAF COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)CCCCN(C)C)cc2)cc1 73199735 URGUDGNLTYLMEQ-UHFFFAOYSA-N 428.558 3.492 0 1 IGAF O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NC1CCCCC1 95899361 CUTMPUHEHQEQIE-YCYVKTGYSA-N 442.556 3.259 0 1 IGAF CCCS(=O)(=O)Nc1ccc(O[C@H]2CCCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146765612 OITYKYVNANOBFD-INIZCTEOSA-N 445.541 3.243 0 1 IGAF COC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(OCC4CC4)c3F)C2)cc1 221187268 UMZYTPFHRCFECV-KBXCAEBGSA-N 430.480 3.479 0 1 IGAF COc1cc(C[C@@H]2CO[C@@H](O)[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 238738183 PIYHDSUVUSVLGU-XVTZWQNCSA-N 448.512 3.104 0 1 IGAF endogenous,in-man CC(=O)OC[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@]12O 255200272 BMTLRDYVZOBQND-GGZHOOHDSA-N 432.557 3.148 0 1 IGAF Clc1ncc(Br)c2nc(-c3nccnc3I)[nH]c12 587186008 DAWGWPUTFFVVAD-UHFFFAOYSA-N 436.438 3.435 0 1 IGAF CCOC(=O)c1cnn2cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cnc12 587799331 XZKNWFTVYFWISN-DYZYQPBXSA-N 433.281 3.431 0 1 IGAF Nc1ncc(-c2cc(C3C[C@@H]4CC[C@H](C3)N4CC(F)(F)F)nc(N3CC4CC3C4)n2)cn1 653663044 FAZLUWZDUUIPOU-FHFCWBRESA-N 445.493 3.387 0 1 IGAF COc1cc(N2Cc3cn(-c4cccc(S(C)(=O)=O)c4)nc3[C@H]2C(C)C)nc(C)n1 1772610074 VSLBVBOGQLFVOY-OAQYLSRUSA-N 427.530 3.100 0 1 IGAF O=S(=O)(Nc1ccncn1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F 1772627341 IATOIMGOUCQDRU-UHFFFAOYSA-N 425.917 3.110 0 1 IGAF CC(=O)NCCN[C@H]1CCc2c(sc3ncn(Cc4ccc5ccccc5c4)c(=O)c23)C1 1772655168 KKXJYRGIGFFFCG-FQEVSTJZSA-N 446.576 3.243 0 1 IGAF CCCCNC(=O)c1cc(S(N)(=O)=O)c(Br)cc1NCc1ccccc1 1857748024 BCMBBMOZXLTCFQ-UHFFFAOYSA-N 440.363 3.239 0 1 IGAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CNC(=O)N4CCOCC4)C=C3C)[nH]c2n1 2356286646 JXBYXAHPKLAVOV-GBESFXJTSA-N 441.576 3.405 0 1 IGAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@H](NCCO)C[C@H](c3ccc(F)cc3)N12 2356301999 JORKWFURZIKOEA-DZWOVHDNSA-N 437.515 3.233 0 1 IGAF O=C(NCCc1nc2cc(Cl)ccc2[nH]1)[C@@H]1CCC(=O)N(Cc2cccc(F)c2)C1 15936457 ZRDYACMNVVGNLE-OAHLLOKOSA-N 428.895 3.453 0 3 IGAF COc1cccc(C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2ccccc2)c1 95571404 DWEQWSPWHBLGLF-TZYHBYERSA-N 449.551 3.168 0 3 IGAF COc1ccc2cc(CN[C@@H]3CCS(=O)(=O)C3)c(-c3ccc(OC)c(OC)c3)nc2c1 12080146 FPCWXUGASISLOA-GOSISDBHSA-N 442.537 3.204 0 1 IGAF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C 13298515 PXQRJZNDFRAFTF-XGTMRVCYSA-N 448.556 3.003 0 1 IGAF CN[C@H](C)[C@H]1CCN(c2c(F)cc3c(=O)c4c(O)nsc4n(C4CC4)c3c2OC)C1 34946067 SOJRULJEVFPUAA-MNOVXSKESA-N 432.521 3.234 0 1 IGAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccco2)C1 82142355 ZRAHNJWHYBAVCY-ZACQAIPSSA-N 425.533 3.089 0 1 IGAF CCCCNC(=O)c1cnc(NCCCOC)nc1-c1cc(OC)c(OC)c(OC)c1 82143154 MERISGRJVOXYNC-UHFFFAOYSA-N 432.521 3.148 0 1 IGAF O=C(Cc1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO 95866259 FBOQZBKGMGNFKB-ONBPZOJHSA-N 444.506 3.233 0 1 IGAF O=C(C[C@@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 95866941 BUXNMIFPDSBWFP-RBZQAINGSA-N 445.519 3.416 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cnccn2)C1 104554124 NGVKRWVDXLJUMD-XVBWWKTGSA-N 428.577 3.063 0 1 IGAF CCCS(=O)(=O)N1CC(COc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N)CC3)C1 142532436 QESOFHQCDQDCQF-ZEQRLZLVSA-N 428.598 3.337 0 1 IGAF O=C(CCCc1cn[nH]n1)NC1CCN(C(=O)CCc2cc(Cl)cc(Cl)c2)CC1 209495835 SXIBMPKSTCBOCJ-UHFFFAOYSA-N 438.359 3.174 0 1 IGAF O=C(CCc1nc2ccc(Br)nc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024409 ZAJFAAMMOOVBKA-UHFFFAOYSA-N 430.291 3.205 0 1 IGAF CCCc1nc(-c2nc3c(S(=O)(=O)N(C)C)cccc3[nH]2)nn1-c1ccccc1F 587155579 MMQKOFXFGAARKW-UHFFFAOYSA-N 428.493 3.153 0 1 IGAF CCOC(=O)c1nn(C)c2c1CCC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587583401 VYJUNZJFWYRGMY-KOSHJBKYSA-N 434.448 3.496 0 1 IGAF N=C(N)Nc1ccc(CNc2cnc3cc(C(=O)NCc4cccc(F)c4)ccn23)cc1 653780330 BAVFOOICDJSBIZ-UHFFFAOYSA-N 431.475 3.321 0 1 IGAF CNC(=O)c1c(F)ccc(Nc2ncnc(N3CC(Oc4ccc(Cl)cc4)C3)n2)c1F 1772651985 HQGHNYBIIOJDOC-UHFFFAOYSA-N 446.845 3.174 0 1 IGAF Clc1ccc(-c2cnc3cnc(-c4ccc(=NCCN5CCOCC5)[nH]c4)cn23)cc1 1857608273 GMEDQCIQSSQTMX-UHFFFAOYSA-N 434.931 3.278 0 1 IGAF O=S(=O)(NC1CCN(CCOc2ccccc2)CC1)c1cccc(Br)c1 1857643671 SHDZNKNWMDTZTL-UHFFFAOYSA-N 439.375 3.271 0 1 IGAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1ccc(-n2cccn2)cc1 2356311829 JUTYZJNJCIJUSH-JQVVWYNYSA-N 426.634 3.211 0 1 IGAF O=C(O)c1ccc(CN2C[C@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)cc1 2356383375 KNWOVNHKTHVUBI-IRLDBZIGSA-N 429.476 3.349 0 1 IGAF COc1ccc(CN2C(=O)c3ccnn3C[C@@]2(C)c2nnnn2-c2c(C)cccc2C)cc1 203465769 WQLWBRJMDOVLTQ-DEOSSOPVSA-N 443.511 3.056 0 3 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCC(C)(C)CO 771460 YIVLXAWFHHBPBW-UNMCSNQZSA-N 426.513 3.320 0 1 IGAF Cc1c(N2CC[C@H](NCC(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 27408622 MEMSRXGUYYACBM-LBPRGKRZSA-N 427.398 3.053 0 1 IGAF CCc1nc2cccc(C(=O)OC)c2n1Cc1ccc(-n2cccc2-c2nnn[nH]2)cc1 28885317 ADNLDCNKXXQYRA-UHFFFAOYSA-N 427.468 3.404 0 1 IGAF CN(CCO)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1 72177125 YIHFFXWGJWZDBZ-VGOFRKELSA-N 430.508 3.091 0 1 IGAF COc1cc(OC)c(S(=O)(=O)NCc2ccccc2N2CCCCC2)cc1NC(C)=O 73293836 LDJDHSINBFNMFS-UHFFFAOYSA-N 447.557 3.131 0 1 IGAF in-vitro CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccco2)C1 82142332 ULGWTLORZDCUFJ-AEFFLSMTSA-N 425.533 3.056 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@@H](C)NC[C@H]1C 95679197 UUJUQZMUGCCRQO-YVHKJVDXSA-N 446.592 3.234 0 1 IGAF CCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)Nc1ccccc1 95879488 AQRWZKVPUNYSAP-CJTFWIGWSA-N 429.520 3.138 0 1 IGAF CCCOc1ccc(NS(C)(=O)=O)cc1-c1nc(C(C)C)c(Br)c(=O)[nH]1 96916033 ABPWYKOHDNIBTQ-UHFFFAOYSA-N 444.351 3.483 0 1 IGAF COC1CN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)C1 118398944 NCVSHGGYLNCYNQ-GOSISDBHSA-N 428.443 3.212 0 1 IGAF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]c(N)nc32)cc(Br)c1OC 137056287 PCVOIBMTJBGAFQ-AWEZNQCLSA-N 442.273 3.143 0 1 IGAF C=CC(=O)Nc1cc2c(Nc3ccc(Cl)nc3)ncnc2cc1OCCNC(C)=O 143181610 LZAXPBKXHBEHAS-UHFFFAOYSA-N 426.864 3.061 0 1 IGAF COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@H]1CCCCNC1=O 299887757 ZJJUCJBBHZTDIR-DSKINZAPSA-N 441.915 3.225 0 1 IGAF CN(Cc1nc2c(F)cnc(Br)c2[nH]1)S(=O)(=O)c1ccc(Cl)cc1 586928711 HWSVKKUSDQUNDO-UHFFFAOYSA-N 433.690 3.334 0 1 IGAF CC[C@H](c1nc2ccc(S(C)(=O)=O)cc2[nH]1)n1cc(I)c(C)n1 587185086 PLORITSFYOVJQY-CQSZACIVSA-N 444.298 3.075 0 1 IGAF CCOC(=O)C(=O)C[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587704350 JBBPWFVLZKDFOO-AYVTZFPOSA-N 426.204 3.402 0 1 IGAF Cc1ccc(S(=O)(=O)N2CC3(C2)N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 587840144 JTCKTMJYAFMWJU-CYBMUJFWSA-N 439.350 3.331 0 1 IGAF O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1cc(-c2ccccc2O)[nH]n1 1772599962 AZUAQCXOAPEYBS-UHFFFAOYSA-N 438.465 3.106 0 1 IGAF COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cc(N)c(F)c(C)c2Cl)c1 1772630395 PLRPRYDOPJNKDZ-UHFFFAOYSA-N 434.899 3.160 0 1 IGAF COCCN1CCCN([C@H](CN2CCC(N3CCCCC3)CC2)c2ccccc2)CC1 1857588287 BSWQGLFZMNZOHI-AREMUKBSSA-N 428.665 3.332 0 1 IGAF CCn1c([C@@](O)(c2ccccc2)c2ccccc2O)nc2ccc(C(=O)NC[C@@H](C)O)cc21 1857611136 FPOBWFJIZMMSJW-WGDIFIGCSA-N 445.519 3.157 0 1 IGAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@H](CO)[C@@H]1Cc1ccnc(COc2ccccc2)n1 2356350290 ZJHXJBSQXISWJE-LIONHTAISA-N 433.552 3.054 0 1 IGAF C[C@@H]1C=C(C(=O)N2CCN(Cc3ccccc3)CC2)O[C@H](OCc2ccc(CO)cc2)C1 13634755 MOBRIWPYBFXAMB-NLFFAJNJSA-N 436.552 3.306 0 3 IGAF CN(Cc1cn(CC2CCCCC2)nn1)S(=O)(=O)c1ccccc1Br 96019394 KNLWBOKRUMKYLY-UHFFFAOYSA-N 427.368 3.442 0 3 IGAF COCCN1CC(=O)N2C[C@@H](c3ccc(Cl)cc3)c3c([nH]c4ccccc34)[C@]2(C)C1=O 2136394 KFICLMJTHWPZFY-MHECFPHRSA-N 437.927 3.499 0 1 IGAF biogenic CNC[C@H]1Cc2cccc3c(C4=C(c5c[nH]c6cc(F)ccc56)C(=O)NC4=O)cn(c23)C1 26829844 PZKTZYRRWDJGOH-CYBMUJFWSA-N 428.467 3.221 0 1 IGAF CC(C)(Cc1ccc(OC(F)(F)F)cc1)NC[C@@H](O)c1ccc(O)c2c1OCC(=O)N2 45261240 LSTBXVZQFKQYRO-MRXNPFEDSA-N 440.418 3.266 0 1 IGAF O=S(=O)(c1ccc(F)cc1)N(CCCN1CCN(c2ccccc2)CC1)CC1CC1 45373098 IKAPDKMVJPPGFU-UHFFFAOYSA-N 431.577 3.439 0 1 IGAF CC[C@@H]1[C@@H](/C(=C/OC)C(=O)OC)C[C@@H]2N(CC[C@]23C(=O)Nc2ccccc23)[C@H]1CC(C)=O 66076696 VWNYHBABHBBFQC-DSJWJIGVSA-N 440.540 3.048 0 1 IGAF O=C(CCc1ccc(F)cc1)N(Cc1nc2c(c(=O)[nH]1)COCC2)Cc1cccs1 96283575 WMOFKDNPUXQKFI-UHFFFAOYSA-N 427.501 3.205 0 1 IGAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N[C@H](CC(C)C)C(=O)O)C(=O)OC2 96937310 LSJYQLWMSSUPMX-JIOITTSWSA-N 433.501 3.264 0 1 IGAF CN1CCN(CCCNC(=O)[C@@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccccc2)CC1 104198487 KLWDHCIQYDSELG-FYYLOGMGSA-N 440.975 3.186 0 1 IGAF CCc1ncc(Cc2cnc3ccc(NC(=O)C(N)=O)cc3c2)c2cc(OC)c(OC)cc12 145107963 WACUBOMPNMKYEJ-UHFFFAOYSA-N 444.491 3.377 0 1 IGAF COc1cc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)ccc1[S@](C)(=N)=O 169694324 JQLOWVFMFQYNIP-CCKRJNCRSA-N 445.339 3.175 0 1 IGAF CCCN1CCC(c2cc(NC(=O)c3cnn4cccnc34)n(-c3ccc(C)cn3)n2)CC1 204782006 KOIZXTBNZQNUMV-UHFFFAOYSA-N 444.543 3.460 0 1 IGAF Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)OCc4cc(Cl)ccc4O3)O2)c(O)nc1=O 299806469 RVLRBHLDPAIIAN-JRJBARMQSA-N 426.749 3.098 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccnc(N)c3[nH]2)c1 586929987 FNFVOUQADJRDGC-UHFFFAOYSA-N 428.562 3.228 0 1 IGAF COC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416491 CEKRIOQVPSRHEK-QVKFZJNVSA-N 445.265 3.233 0 1 IGAF CCCc1c(O)ccc2c1O[C@H](c1c(N3CCOCC3)nc3ccc(C)cn3c1=O)CC2=O 587486186 SYROITCQBJKPID-FQEVSTJZSA-N 449.507 3.204 0 1 IGAF COC(=O)[C@H](C[C@@]1(c2cccnc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)N=O 587588024 RGPVWWNLUQIBCE-QUZZAMIASA-N 434.404 3.342 0 1 IGAF CCOC(=O)CN(C)c1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cn1 587739180 GIQLSTHJJFXCMU-ADLMAVQZSA-N 437.313 3.001 0 1 IGAF COc1ccc(OC)c(C(=O)C[C@]2(C(F)(F)F)N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962906774 ZBURSZXSJYOKHN-YWZLYKJASA-N 441.377 3.472 0 1 IGAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(S(=O)(=O)NCCC(=O)O)cc2)N1 962963804 XAWJPRFUQZANDF-WAIKUNEKSA-N 441.553 3.109 0 1 IGAF CC[C@H](C)[C@H](NS(=O)(=O)c1ccc2oc(=O)n(C)c2c1)C(=O)Nc1cccc(C)c1C 1857543691 JJDHBDIFPQWJGK-RBZFPXEDSA-N 445.541 3.080 0 1 IGAF Cc1cccc(-c2cc(Nc3cc(O)cc(O)c3C(=O)N3Cc4c[nH]nc4C3)n(C)n2)c1 1857587526 PJUDTYOQRPVVEH-UHFFFAOYSA-N 430.468 3.429 0 1 IGAF CC(=O)Nc1sc2c(c1-c1nc3cnccc3s1)CCN(CCN1CCOCC1)C2 1857614066 KNMVWDKZRAGQGT-UHFFFAOYSA-N 443.598 3.069 0 1 IGAF CN(C)CCn1cc(-c2ccc(CO)cc2)c2c(N[C@H](CO)c3ccccc3)ncnc21 1857747040 ZZSCZFCDDWTMES-JOCHJYFZSA-N 431.540 3.298 0 1 IGAF Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1[C@H](c2ccc(C(F)(F)F)nc2)C[C@H](O)[C@H]1O 2356286715 MVWCMZQHOBYDSA-IQGAEYHTSA-N 447.413 3.072 0 1 IGAF COCCNC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CCCCC3)[C@H](C)[C@@H]2[C@@H]1O 2356403947 YQKWXNNIEVPNJE-OZHQLPIDSA-N 436.637 3.274 0 1 IGAF COc1ccc(CN2C(=O)[C@H](CC(=O)NC3CCCCC3)CC(C(=O)N(C)C)=C2C)cc1 61923388 UOKVGZMMNJBBJI-IBGZPJMESA-N 441.572 3.245 0 3 IGAF CCOC(=O)[C@]12CCCC=C1N(Cc1ccc(OC)cc1)C(=O)[C@@H]2CC(=O)N1CCCC1 203455972 AQVHXIWARMMJFJ-CPJSRVTESA-N 440.540 3.283 0 3 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OC[C@@H]1CN(Cc2ccc(F)cc2)C[C@H](n2cnc3c(Nc4ccccc4)ncnc32)O1 61929762 OJSGXQVAKDEIRY-VQTJNVASSA-N 434.475 3.101 0 3 IGAF O=C(NCc1ccco1)c1cccc2c1C(=O)c1ccc(N3CCCC3)cc1S2(=O)=O 61948769 IZAUNFAEUTXXFR-UHFFFAOYSA-N 436.489 3.187 0 3 IGAF Cc1ccc(C)c(N2CCN(C(=O)Cn3[nH]cc4c5cc(C)ccc5nc-4c3=O)CC2)c1 100544786 SARNVEPNAZZJJU-UHFFFAOYSA-N 429.524 3.103 0 3 IGAF CN1CCN(C(=O)c2ccc(N3C[C@H]4C(c5c(F)cccc5Cl)=NO[C@H]4C3)cc2)CC1 263590237 AXGVINOSAWLKIN-XLIONFOSSA-N 442.922 3.106 0 3 IGAF COC(=O)N1C[C@@H]2[C@@H](N3CCCC3)CC[C@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1 49111173 OMVSGZSRXSCVQR-ZYSHUDEJSA-N 440.371 3.442 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccncc1 95893584 RMTLAHMEHRPBNI-WPFOTENUSA-N 446.482 3.171 0 1 IGAF COc1nc2ccccc2cc1CN(Cc1ccc(C)cc1)C[C@@H](O)CN1CCOCC1 96939084 ZXOFLVYXBOZRGG-DEOSSOPVSA-N 435.568 3.247 0 1 IGAF O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC1[C@@H]2CC3C[C@@H]1CC(F)(C3)C2 100065994 RUBWTVFAHWBQIP-SVKDUQLLSA-N 440.485 3.255 0 1 IGAF CCOC(=O)C[C@@H](Nc1ccco1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 103295182 PULFWRXGHUFZKO-RECXWPGBSA-N 431.485 3.475 0 1 IGAF O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3Cl)nc12)N1CC(O)C1 118394057 CIOUDHJPRJGNCX-QGZVFWFLSA-N 430.871 3.072 0 1 IGAF C[C@H](CCn1oc(=O)[nH]c1=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 299847840 GYIFKHHUMQDLGP-QEAYIKNTSA-N 448.604 3.146 0 1 IGAF NS(=O)(=O)c1c[nH]c(-c2nc3c(C(=O)Nc4ccc(C(F)(F)F)cc4)cccc3[nH]2)c1 586929739 HZOATUUJPKMSCT-UHFFFAOYSA-N 449.414 3.477 0 1 IGAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Cl)ncc(Cl)c3[nH]2)cc1 586946020 FUKWPMVUDFNQPJ-LLVKDONJSA-N 427.313 3.389 0 1 IGAF O=C(c1c(CO)oc2cc(Br)cnc12)[C@@H]1CN(Cc2ccccc2)CCO1 587275513 CMTJDOMSOHQUGB-INIZCTEOSA-N 431.286 3.166 0 1 IGAF CC(C)(C)OC(=O)N1CCO[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587583084 QCURHOGALPPHPG-BBTUJRGHSA-N 427.453 3.358 0 1 IGAF COc1cccc(C(=O)N(CCN2CCC(OCC(=O)O)CC2)c2ccc(C)cc2)c1 653853267 CDWDHZUKNTWPFU-UHFFFAOYSA-N 426.513 3.216 0 1 IGAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]12CCN(c1ccccc1)C(=O)C2 963146944 ORYJAXHEEQLEER-OPAMFIHVSA-N 443.525 3.412 0 1 IGAF C[C@@H](Nc1nccc(N2C(=O)OC[C@H]2[C@@H](C)O)n1)c1nc(-c2cccc(Cl)c2)no1 1772655000 VDEXLVZLFHDDEG-GYSYKLTISA-N 430.852 3.059 0 1 IGAF CN1[C@H](C(=O)NCc2cccc(Br)c2)C[C@@H]2Cn3c(nc4ccccc43)[C@@H]21 13660583 UMLIEVFDAPIGBA-MDASCCDHSA-N 425.330 3.490 0 3 IGAF CCCCN1C(=N)N([C@@H](C)CN2CCC[C@H]2CN2C(N)=NC[C@H]2C(C)C)C[C@H]1[C@H](C)CC 61947355 KQHKKXWMEOLBKT-QCBQRGATSA-N 447.716 3.261 0 3 IGAF CNC(=O)N(CCc1ccc(OC)c(OC)c1)[C@@H]1CC(C)(C)Oc2ccc(C(N)=O)cc21 758671 KBCASKUAVNPVRA-GOSISDBHSA-N 441.528 3.289 0 1 IGAF CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)n1nc(C)n2c(cc3occc32)c1=O 8965076 JHEOCIZDQBCZBN-XJKSGUPXSA-N 436.468 3.150 0 1 IGAF COc1cc2nc(N3CCC(C(=O)N4[C@H](C)CCC[C@H]4C)CC3)nc(N)c2cc1OC 29222587 BNELLZJFEBVBPQ-HUUCEWRRSA-N 427.549 3.235 0 1 IGAF COC(=O)[C@@H]1C[C@@H](NC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 36221581 JBDNNHQZUREDCQ-MNGRFEMPSA-N 431.529 3.435 0 1 IGAF COc1cccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)c1 40866712 PSAYAIMNVLJKEM-UHFFFAOYSA-N 448.483 3.210 0 1 IGAF O=C(c1cccn2cc(Br)nc12)N1CCN(CCc2ccc(F)cc2F)CC1 73311337 HIONYOLIXOOIAZ-UHFFFAOYSA-N 449.299 3.376 0 1 IGAF CCOC(=O)[C@]1(C(=O)Nc2ccc(OC)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95593132 IFDZUAKZGYYTSV-UZUQRXQVSA-N 429.469 3.397 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(Cc2cccnc2)CC1 95868785 QPDINYDXVCXHJN-HSZRJFAPSA-N 448.567 3.011 0 1 IGAF O=C(Nc1ccccc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO 95869227 VXOIHSRQZAPVKT-WEYGHZABSA-N 439.491 3.205 0 1 IGAF COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCc1ccccc1 95880439 HDZKUCRJJNOXRS-VLYJIQRVSA-N 448.563 3.185 0 1 IGAF O=C(C[C@@H]1CCCNC1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1 96177839 BGMHIWFUGKPDAB-YJBOKZPZSA-N 434.548 3.001 0 1 IGAF CN(C)C(=O)N[C@H]1CC[C@@H](CCN2[C@H]3CC[C@@H]2C[C@H](Oc2cccc(C(N)=O)c2)C3)CC1 101363729 ZNKQZQCGGXGVRU-WAESHZATSA-N 442.604 3.380 0 1 IGAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(O[C@H]4COC[C@H]4O)ccc3Cl)nnc12 145779182 BMHAOZUJNXVLNI-MOPGFXCFSA-N 437.887 3.317 0 1 IGAF CC(=O)c1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)nn3)c2)cc1 169311706 BVPQYDSTTGVDEC-UHFFFAOYSA-N 444.900 3.410 0 1 IGAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(N(O)N=O)cc2)cc1 169723816 TYTRMFMIXQRUDF-UHFFFAOYSA-N 427.364 3.083 0 1 IGAF C[C@H]1CN(Cc2ccc(Cl)cc2)C[C@@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 205450815 MFVLKKRBSDNESU-KSSFIOAISA-N 427.936 3.201 0 1 IGAF COC(=O)c1cc2[nH]c(-c3ccc4ncc(I)n4c3)nc2cc1OC 587186987 ACWSIWOWZWETKR-UHFFFAOYSA-N 448.220 3.277 0 1 IGAF C[C@]1(c2ccc(S(=O)(=O)NCCCC(=O)O)cc2)c2ccc(F)cc2C[C@H]2CCCN21 963109207 UPALDQHVBMZUIP-XXBNENTESA-N 446.544 3.253 0 1 IGAF COc1cc(-c2nnc(-c3cc(OC(F)(F)F)ccc3-n3cncn3)o2)cnc1OC 1857554958 AWOCZGDZTBWFLA-UHFFFAOYSA-N 434.334 3.295 0 1 IGAF COc1ccc(NC(=O)c2coc3ccc(/C=C/C(=O)OCCN(C)C)cc3c2=O)cc1 1857657009 RWWUPRRLFJLESJ-VZUCSPMQSA-N 436.464 3.172 0 1 IGAF COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)[C@@H]1c1c[nH]c2ccccc12 8016822 QFWMWBPCPSLZSV-CQLNOVPUSA-N 447.535 3.390 0 3 IGAF CC[C@H](C)Sc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1 36386511 LSQCZRUKUQGAAE-STEVZKDNSA-N 430.570 3.261 0 3 IGAF COCCN1C(=O)c2ccccc2[C@@H](C(=O)NC[C@@H]2CCCO2)[C@H]1c1c[nH]c2ccccc12 4034796 QFWMWBPCPSLZSV-PKKBDPGCSA-N 447.535 3.390 0 1 IGAF CN([C@@H]1CCc2c(c3ccccc3n2CCC(=O)O)C1)S(=O)(=O)c1ccc(F)cc1 13608912 XKWVLGMVINJGLP-MRXNPFEDSA-N 430.501 3.433 0 1 IGAF CC(=O)OC[C@@]1(C)[C@H]2CCC3=CO[C@@H](C4=CCOC4=O)C[C@H]3[C@]2(C)CC[C@H]1OC(C)=O 28382744 ZDZWOGPGACJWQL-HZJABYRTSA-N 432.513 3.470 0 1 IGAF CNc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)N1CCC(C)CC1 43553594 VHUZPWURBICHEP-CXXPOSQYSA-N 435.634 3.249 0 1 IGAF biogenic CCCc1nc(-c2ccc(F)cc2)oc1C(=O)N[C@H](C)CN1CCN(C(=O)OCC)CC1 45365724 SAIFICJIWMDAQI-MRXNPFEDSA-N 446.523 3.326 0 1 IGAF CNC(=O)CCCN(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 59051412 LYYAOAAEQUTERQ-GOSISDBHSA-N 425.573 3.308 0 1 IGAF O=C(Nc1cccc(OCCCC(=O)N2CCNCC2)c1)NC12CC3CC(CC(C3)C1)C2 66259232 YWGKWAROKSZASK-UHFFFAOYSA-N 440.588 3.368 0 1 IGAF CC[C@H](NC(=O)[C@@H](CC(C)(C)C)OC(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1 82065558 PIAODZKWCOVJLG-MAUKXSAKSA-N 445.516 3.179 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccc(F)cc3)n2)CC1 82214906 UUSWINPMPNMCHT-HRAATJIYSA-N 439.535 3.260 0 1 IGAF Cc1cccc2cc([C@H](C)Nc3ncnc4n[nH]c(C(N)=O)c34)n(-c3ccccc3)c(=O)c12 88345840 BYQDKHLXAMUVTA-AWEZNQCLSA-N 439.479 3.237 0 1 IGAF CNC(=O)c1ccc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 103241863 MEXVTOYJNHFFDY-UHFFFAOYSA-N 432.503 3.069 0 1 IGAF CCc1cccc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3N2C(=O)Nc2cn(C(N)=O)c3ccccc23)n1 205048034 HEZGYSLGTOIDLQ-AGRHKRQWSA-N 432.484 3.159 0 1 IGAF COc1cnc2c(Nc3ccc(F)c([C@@]4(C(F)F)N=C(N)O[C@@H]5C[C@@H]54)c3)nccc2n1 220654159 HVNGREMHJZGVTN-GZNWPSJOSA-N 430.390 3.110 0 1 IGAF Cc1nnc(C[C@H]2CC[C@H](c3ccc(N4CCOc5ncnc(N)c5C4=O)cc3)CC2)n1C 261093777 DZFDAVIXIIKXSW-QAQDUYKDSA-N 447.543 3.051 0 1 IGAF CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cnncc3[nH]2)CC1 586926144 NFZLDFDLQMHXAU-UHFFFAOYSA-N 443.529 3.193 0 1 IGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cncc(Br)c2[nH]1 587121146 VBTOMJKPAYOGFC-UHFFFAOYSA-N 441.211 3.144 0 1 IGAF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2ccncc2)([C@H]2CCNC2)N1 963190829 XVEZORKIRRKURW-RFUYNDQBSA-N 425.838 3.206 0 1 IGAF Cc1nc([C@@H](NC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)[C@@H]2CCCCN2)[nH]c1CO 1772575999 LMBSXERDWURCBW-PXNSSMCTSA-N 427.936 3.472 0 1 IGAF C/C=C/Cn1cc(-c2cc(OC)c(C(=O)N3CCOCC3)cc2OC)c2cc[nH]c2c1=O 1911576588 PMWIFIWWNULSSP-SNAWJCMRSA-N 437.496 3.062 0 1 IGAF Cc1ccc(Nc2nc(NN/C=C3\C=Nc4ccccc43)nc(N3CCOCC3)n2)cc1 13119064 CDKWCUOWCYTKBK-BMRADRMJSA-N 428.500 3.434 0 3 IGAF COc1cccc(-n2c(SCC(=O)NC3CCCCC3)nc3nnc(C)c-3c2N)c1 101507815 UAPHTKXJTXNWGI-UHFFFAOYSA-N 426.546 3.207 0 3 IGAF Cn1cccc1C(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(Cl)cc4)ccc3NC(=O)[C@H]12 3839507 POZDUISMBVYTNO-FPOVZHCZSA-N 448.910 3.311 0 1 IGAF biogenic COc1ccccc1N1CCN(CCN(C)C(=O)[C@@H]2CCCc3c(OC)cccc32)CC1 13757333 ZHOHSCVJNOKADU-JOCHJYFZSA-N 437.584 3.404 0 1 IGAF Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Oc2ccc3c(c2)OCO3)c1Cl 13815640 JBQRAWXTTIKPRD-UHFFFAOYSA-N 442.858 3.447 0 1 IGAF Cc1c(N2CC[C@@](CN)(C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 27422538 DUJZHWAIAPRENU-IBGZPJMESA-N 427.398 3.040 0 1 IGAF CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccoc1)n2CCC(N)=O 40863119 IRMXYUDLJRENSZ-UHFFFAOYSA-N 431.452 3.034 0 1 IGAF COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4ccc(F)cc4)C[C@@H]3O)CC2)cc1 72177180 UIWSYEZPNUYTKA-ZEQRLZLVSA-N 426.532 3.364 0 1 IGAF COc1cc2nc(N3CCC(O)CC3)nc(NCCc3ccc(F)cc3)c2cc1OC 82130322 GZYOPUWWTVEPLB-UHFFFAOYSA-N 426.492 3.402 0 1 IGAF CCOC(=O)[C@@H]1CS[C@@]2(C(=O)N(C)c3ccccc32)N1C(=O)c1ccc(Cl)cc1 96908990 FVRNYJSKRFPGLE-UWJYYQICSA-N 430.913 3.290 0 1 IGAF O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1C1CCCC1 101584750 VMTZDIHMLVWUQZ-OOVGFAMASA-N 426.561 3.004 0 1 IGAF O=Cc1ccc(OCc2cn(CCCCN3C(=O)C(=O)c4cc(Cl)ccc43)nn2)cc1 103265207 YLSYTRYBGAQALD-UHFFFAOYSA-N 438.871 3.333 0 1 IGAF Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccccc2)cc1N 299854558 AFFIXHMSBIOQPX-QHCPKHFHSA-N 428.492 3.417 0 1 IGAF O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2cncnc2[nH]1)OCc1ccccc1 587203720 RYPVMVJLAFHEMI-SFHVURJKSA-N 431.452 3.454 0 1 IGAF CN1CCN(Cc2ccc(NC(=O)c3ccc4[nH]c(/C=C/C=C\C(=O)O)nc4c3)cc2)CC1 587969365 RRAYHEOTHJPSLT-HZDAAVBUSA-N 445.523 3.217 0 1 IGAF C[C@]1(CC(=O)Nc2ccc3c(c2)OCO3)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962956936 LSGMVIKOMCKKDS-RNODOKPDSA-N 438.814 3.190 0 1 IGAF Cc1ccc2nc(O)c(CN(Cc3cccnc3)Cc3nnnn3C[C@@H]3CCCO3)cc2c1 6281518 YXANOUPCQVZBNH-NRFANRHFSA-N 445.527 3.012 0 3 IGAF COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCCOc1ccccc1 36384313 JTMFNAQPJIYEHC-QFBILLFUSA-N 425.485 3.243 0 3 IGAF CN1CCN(C(=O)c2ccc(N3C[C@H]4ON=C(c5c(F)cccc5Cl)[C@H]4C3)cc2)CC1 206057356 AXGVINOSAWLKIN-FXAWDEMLSA-N 442.922 3.106 0 3 IGAF COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)NCC(C)(C)CN(C)C)c3C)nc1-2 11839566 LYYLKVGYOKHSHK-UHFFFAOYSA-N 448.571 3.063 0 1 IGAF COc1ccc([C@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@@H]2OC(=O)c2ccc(Cl)cc2)cc1 13830917 AUWPSWVHPMLLIK-HSALFYBXSA-N 433.913 3.290 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](CO)[C@H](C)CC 82197081 QQQQLTKCRKONKD-WNPCDVGASA-N 430.589 3.095 0 1 IGAF COC(=O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CCC1(COc2ccccc2)OCCO1 95786276 KXVSITQINMBIJC-FUGMMIETSA-N 448.556 3.236 0 1 IGAF CCc1sc(C(=O)CCc2cc(C)c(OC[C@@H](O)CO)c(C)c2)c2c1C[C@@H](O)CC2 103258572 CXIRFGJKMZZVKK-ROUUACIJSA-N 432.582 3.324 0 1 IGAF CN1CCC(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1 145569097 UWKVKWLSOMBHTE-UHFFFAOYSA-N 432.500 3.466 0 1 IGAF COc1ccccc1-c1csc2nc(N3CC[C@@H](O)C3)nc(N3[C@H]4CC[C@H]3COC4)c12 146515639 NOWYEZGFXJFUIU-HRCADAONSA-N 438.553 3.306 0 1 IGAF CN[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(F)cc1 199681415 WWQMJMXWEMVOMB-ZEQRLZLVSA-N 446.588 3.394 0 1 IGAF Cc1[nH]ncc1CNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1 222325892 VYPDKXVZSAZFPT-UHFFFAOYSA-N 441.499 3.372 0 1 IGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1CN(C(=O)OC(C)(C)C)C1 222411325 CNGZGBQVACJCTJ-UHFFFAOYSA-N 448.527 3.250 0 1 IGAF CC(C)N1CCCN(C[C@H](O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S1(=O)=O 223903513 PGRZZVALMKITRN-KRWDZBQOSA-N 437.512 3.095 0 1 IGAF O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1C[C@@H]31 253674317 SAHCFCFOKRFDAF-RCTKEMKKSA-N 439.987 3.295 0 1 IGAF COc1cc(CNCCCCN2CCN(Cc3ccccc3)CC2)cc(OC)c1OC 299858366 QXYZKJMGHWZKST-UHFFFAOYSA-N 427.589 3.400 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(NS(C)(=O)=O)c2)N1 587841137 PXONZEFNNGCVQN-MLCYQJTMSA-N 443.338 3.463 0 1 IGAF COC(=O)[C@]1(CC(=O)c2cccnc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962645761 RUUPFXCRUIZBAS-KCWPFWIISA-N 441.531 3.470 0 1 IGAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1cn(Cc2ccccc2)nn1 963131705 AXURXWPRVSVOPN-IAGOWNOFSA-N 441.513 3.119 0 1 IGAF COc1cccc(C[C@@]2(C(=O)O)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963189029 VMOSKVXTGFNPCG-IFXJQAMLSA-N 443.805 3.489 0 1 IGAF O=C(Cc1ccc(F)cc1F)Nc1cc(C(=O)c2cn(CCO)c3ccncc23)ccn1 1772603286 DFXYWQKILFUDSG-UHFFFAOYSA-N 436.418 3.114 0 1 IGAF CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(C)[C@@H]1CCc1ccccc1 61958821 VORNODFZSMKVJY-OAQYLSRUSA-N 432.517 3.266 0 3 IGAF COc1ccc([C@@H]2CC(=O)C[C@H](c3ccco3)C23C(=O)OC(C)(C)OC3=O)cc1OC 28893274 NOTVJCILNKPCSK-JKSUJKDBSA-N 428.437 3.350 0 1 IGAF O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1)OCc1c[nH]cn1 29566116 CJQBVEGZKWGXGA-QFIPXVFZSA-N 431.496 3.087 0 1 IGAF CCOC(=O)CN1C(=O)N(CCCn2ccnc2)C(=O)[C@]1(C)c1cccc2ccccc12 36330418 RZOJUYACASNMGU-DEOSSOPVSA-N 434.496 3.169 0 1 IGAF COc1ccc2c(CN3CCN(c4cccc(Cl)c4)CC3)cn(CCNC(C)=O)c2n1 71318225 YZKFXOIWOSSUEC-UHFFFAOYSA-N 441.963 3.157 0 1 IGAF COc1cc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c(F)c3C)CC2)ccc1Cl 95583384 GPFGZPXVTNEPLN-UHFFFAOYSA-N 434.821 3.360 0 1 IGAF COc1ccccc1CN1[C@H](CO)[C@H](c2ccccc2)C12CN(C(=O)Cc1ccccc1)C2 95796404 GFMCJIGILYDRQM-SQHAQQRYSA-N 442.559 3.479 0 1 IGAF COc1cccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)c1 95797596 CXDBYTLNSJYCTB-ARNLJNQMSA-N 447.535 3.466 0 1 IGAF c1ccc2nc(N3CC(Oc4nccnc4N4CCC(N5CCCC5)CC4)C3)ccc2c1 96168750 SXSHBILCSCBYED-UHFFFAOYSA-N 430.556 3.357 0 1 IGAF O=C(Nc1cccc2c1C(c1nc3ccc(N4CCOCC4)cc3[nH]1)=NC2)[C@H]1CC1(F)F 96174711 FXHXFDLLFAXDQC-OAHLLOKOSA-N 437.450 3.344 0 1 IGAF CCC(F)(F)c1cccc(-c2cc(NC(=O)[C@H]3CNC(=O)C3)nn2C2CCOCC2)c1 169707094 KGZSTIJLVVBQLH-OAHLLOKOSA-N 432.471 3.478 0 1 IGAF C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C[C@H](O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 195116234 RIJQQQOGGXBOKH-RLFVHRHYSA-N 439.574 3.054 0 1 IGAF N[C@@H]1[C@@H]2CN(c3ccc(Nc4ncc5c6ccncc6n(C6CCCC6)c5n4)nn3)C[C@@H]21 261112046 IELILXSXGFXHAH-UPHUGPLXSA-N 427.516 3.022 0 1 IGAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586938264 PQSNFMCJWXUSBT-QGZVFWFLSA-N 441.962 3.295 0 1 IGAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4cc(CCO)ccc4[nH]3)cc2)cc1 586945115 WXAQPKOJSIVCGJ-UHFFFAOYSA-N 449.532 3.446 0 1 IGAF Cc1cc2nc(-c3nc(O)nc(O)c3I)[nH]c2cc1Br 587183190 WJIJUEMKLKDFJO-UHFFFAOYSA-N 447.030 3.107 0 1 IGAF NC(=O)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540399 OFEGJVVVDBPCKY-UTKZUKDTSA-N 440.249 3.497 0 1 IGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CC(=O)C[C@@H](c2ccccc2)[C@@H]1n1cncn1 963636082 OSTIIZDBEMXYFN-PSRFTFJXSA-N 432.524 3.413 0 1 IGAF COc1cc(C(=O)NS(C)(=O)=O)c(F)cc1-c1cnc(OCC2(C)CC2)c(Cl)c1 1857558530 BQKXHBXBKVZFPO-UHFFFAOYSA-N 442.896 3.418 0 1 IGAF O=C(NCc1ccc(F)c(F)c1)C1=COC2=NC(=O)N(Cc3cccc(Cl)c3)CCN12 205207470 BXYHDYWBCMAXFG-UHFFFAOYSA-N 446.841 3.400 0 3 IGAF Cc1ccc(C)c(CC(=O)N2CCOC[C@@H]2c2cc(C(=O)NCc3ccccc3)no2)c1 205234628 APDXNGPXMSCPLC-JOCHJYFZSA-N 433.508 3.364 0 3 IGAF C[C@@H]1CCCCN1CCCNC(=O)c1ccc2c(=O)n(C3CCCCC3)c(=O)[nH]c2c1 28641509 CVIIPJUPHIOKNG-QGZVFWFLSA-N 426.561 3.189 0 1 IGAF CC(=O)NCc1nc(-c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)NC6=O)CCC5)cs1 28897070 KWDPLAMGADHVLV-UHFFFAOYSA-N 430.489 3.453 0 1 IGAF Cc1ccc2nc(CCCCN3CCN(c4ccc5ccccc5n4)CC3)n(N)c(=O)c2c1 64448684 GSEARIWHWZTSPV-UHFFFAOYSA-N 442.567 3.112 0 1 IGAF COc1ccc(NC(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3Cc2ccccn2)cc1 95569225 NQYQWYBLZOGQEU-KMDXXIMOSA-N 430.508 3.471 0 1 IGAF O=c1c(C(c2cccnc2)c2c(O)oc3cc(O)ccc3c2=O)c(O)oc2cc(O)ccc12 100788518 VPZSZSLEYIXZRA-UHFFFAOYSA-N 445.383 3.297 0 1 IGAF COc1ccc(C)cc1NC(=O)C1CCC(C/N=c2/c(N3CCCCC3)c(O)c2=O)CC1 103902881 VUZBWBMLINIGQZ-QLYXXIJNSA-N 439.556 3.281 0 1 IGAF C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cnc4[nH]ccc4c3)nc2n1 144143333 JBHQUVSFYPISGI-HOTGVXAUSA-N 445.527 3.018 0 1 IGAF CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2cc(Cl)ccc21 220296253 CPPVZYYUTPWQKU-UHFFFAOYSA-N 429.929 3.313 0 1 IGAF COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5nccc(N)c5[nH]4)[nH]c23)cc1 586952374 CKFZBHUFMYJRPC-UHFFFAOYSA-N 434.481 3.498 0 1 IGAF O=C(O)c1cccc2nc([C@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c12 587171384 YBDKYDGSZRVFLF-GOSISDBHSA-N 425.441 3.468 0 1 IGAF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 587202538 JIKNTRMVSXCUGU-LLVKDONJSA-N 437.225 3.302 0 1 IGAF Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c(N(C)C)nc12 587592437 YRGKSCLXGCNUSM-XMSQKQJNSA-N 443.459 3.477 0 1 IGAF COc1cc([C@@]2(C[C@@H](C)CC(=O)O)NCCc3c2c(C(C)C)nn3C)cc(OC)c1OC 962921279 SLFSSEHMWWSJMM-IZHWHUGBSA-N 445.560 3.460 0 1 IGAF COC1=CC=C2C[C@H]3N(C(=O)C4CC4)CC[C@]45[C@H]2[C@H]1O[C@H]4c1[nH]c2ccccc2c1C[C@@]35O 1911576990 OJUMJLFYDFEYFQ-VUIXKVIHSA-N 444.531 3.383 0 1 IGAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@@H](CO)CNC)[C@H](O)C1 2356425809 SOCUTXCGCKGNTM-WSJQOYCOSA-N 427.626 3.350 0 1 IGAF CC[C@H](C)N1CC(=O)N2[C@@H](c3ccc(C(=O)OC)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 16032733 GNESTVCFFQFVHB-HXKVFGNASA-N 445.519 3.438 0 1 IGAF biogenic CCCCc1c(OC(C)=O)c2cccnc2n(-c2ccc(OC(C)=O)c(C(=O)O)c2)c1=O 26189883 BVRJTHYSGHBUEB-UHFFFAOYSA-N 438.436 3.277 0 1 IGAF Cn1nnnc1-c1cccc(NC(=O)NC[C@H]2CCCN(CCc3ccc(F)cc3)C2)c1 28332087 VJZFYTPWAOAASO-GOSISDBHSA-N 437.523 3.092 0 1 IGAF COc1cc(-c2nnc(S(=O)(=O)Cc3ccc(Cl)nc3)s2)cc(OC)c1OC 28648967 FBVSWEJOHUBGAW-UHFFFAOYSA-N 441.918 3.253 0 1 IGAF CNC(=O)N[C@@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(SC)c(=O)cc21 29223959 ZTNJOBDPFNTJGQ-OAHLLOKOSA-N 430.526 3.378 0 1 IGAF CNc1nc2cnc(Nc3ccc(C(N)=O)cc3)cc2n1-c1cc(OC)c(OC)c(OC)c1 82082896 WTLXZIGTCDKGHN-UHFFFAOYSA-N 448.483 3.331 0 1 IGAF CCOC(=O)[C@@H]1[C@@H]2NC(=S)N(C)[C@@]1(COCc1ccc(OC)cc1)Oc1ccccc12 95783863 HYRYGCUFWXHNFO-MZKRTTBSSA-N 442.537 3.041 0 1 IGAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2ccncc2)nc2sc(C)cn12 96906075 JETJHJYMHICOEU-UHFFFAOYSA-N 438.509 3.347 0 1 IGAF CN(C)C1=C(N(CCC2CC2)S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc21 115234039 BWNSYWDSBHLYJN-UHFFFAOYSA-N 432.567 3.153 0 1 IGAF O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 169303382 SAHCFCFOKRFDAF-PTROGCMSSA-N 439.987 3.295 0 1 IGAF O[C@@H]1CN(Cc2ccc(Br)cc2)CC[C@@H]1N1CCN(c2ccccc2)CC1 169361029 WUDJZGQDYHJRLI-FCHUYYIVSA-N 430.390 3.207 0 1 IGAF NC[C@H](c1ccc(C(F)(F)F)cc1)C1CCN(c2ncnc(N)c2-c2cn[nH]c2)CC1 206939865 CBGPEGDCORSVLT-QGZVFWFLSA-N 431.466 3.427 0 1 IGAF CC(C)(O)COC(=O)N1CCC(N(C(=O)c2ccc(-c3cnco3)cc2)C2CC2)CC1 207676229 UWKMJXHNYGQKCD-UHFFFAOYSA-N 427.501 3.318 0 1 IGAF COc1cccc(CN2C[C@@]34C[C@@H](c5ccc(C(C)=O)cc5)[C@@H](C[C@H]3S2(=O)=O)O4)c1 299847659 ADNNVBDJEBAWRS-AFXVXQJMSA-N 427.522 3.127 0 1 IGAF O=C(Nc1nc(Cc2nc3nc(Br)c[nH]c-3n2)cs1)c1cccc(O)c1 587018955 CGNJYJRNYZGKCE-UHFFFAOYSA-N 431.275 3.072 0 1 IGAF CC(=O)CC(=O)N(C(=O)c1c(C)[nH]c2ccc(S(C)(=O)=O)cc12)c1ccccc1C 587650425 LDGIIMQJEDVSDD-UHFFFAOYSA-N 426.494 3.341 0 1 IGAF Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587841569 RFHZHFDPCJMGFV-ZMZPIMSZSA-N 427.339 3.342 0 1 IGAF CCOC(=O)C[C@]1(COc2ccccc2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962970360 GNIDEAPFYIJFNP-IIBYNOLFSA-N 439.842 3.445 0 1 IGAF CCOC(=O)[C@@H]1CCOCC[C@@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963170043 HSZASFLNIDBLQP-GEWABHDNSA-N 435.826 3.143 0 1 IGAF CC(C)(C)c1ccc(OC[C@@H](O)CN(CCO)C[C@@H](O)Cn2ccc3ccccc32)cc1 13572432 VAEVNYQICFQOPN-PKTZIBPZSA-N 440.584 3.034 0 3 IGAF COc1ccccc1N1CCN(CCCCNC(=O)/C=C/c2cccc3c2OCO3)CC1 13526345 UGPOUXCBUMYZLN-VAWYXSNFSA-N 437.540 3.156 0 1 IGAF COc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(NC(=O)c3ccco3)c2=O)cc1 25423207 NTEPYSVMTWJCIE-CVEARBPZSA-N 448.479 3.353 0 1 IGAF biogenic C/C=C(\C)C(=O)O[C@H]1C[C@@H](C)[C@@]2(OC)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 34651848 CIBBPLMBWXKCDP-ZEMYBHFKSA-N 434.485 3.116 0 1 IGAF O=S(=O)(c1ccc(Cl)cc1)[C@]12CCO[C@H](CCO)[C@H]1COc1c(F)ccc(F)c12 95573191 OIAYKSYVOPWLJU-WIBUTAKZSA-N 444.883 3.467 0 1 IGAF CN(C)CCNC(=N)c1nc2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2s1 96270433 ATHDBSAJUOZJIK-UHFFFAOYSA-N 435.513 3.188 0 1 IGAF CC1(C)O[C@@H]2[C@@H](O1)[C@@H](OC(=O)c1ccccc1)[C@@H]1OC(C)(C)O[C@@H]1[C@@H]2O[C@@H]1CCCCO1 100033842 KDAUNBWBYRLNDG-BUAHTRFOSA-N 448.512 3.178 0 1 IGAF COC(=O)c1nc2n(n1)[C@H](c1cc(OC)c(OC)c(OC)c1)C=C(c1cccs1)N2 102805472 OAADBOATVACFOQ-ZDUSSCGKSA-N 428.470 3.208 0 1 IGAF COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccc(C)cc2)C(C#N)(C#N)[C@@H]1c1ccccc1 137925751 MBDXTRFJOWFABZ-BQJUDKOJSA-N 430.460 3.057 0 1 IGAF CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)[C@H](C)N(C)CCN3S(C)(=O)=O 143228867 FBUXXVMAYBMPQM-ZDUSSCGKSA-N 445.516 3.371 0 1 IGAF O=C1N[C@@H](Cc2ccccc2)C(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 146813865 MABYOWXNECJXOA-NRFANRHFSA-N 446.482 3.046 0 1 IGAF Cc1nc(/C=C/c2c(-c3ccc(F)cc3)nnn2C)sc1C(=O)NC1CCOCC1 149284291 RCKWDBSHJQKLSK-BQYQJAHWSA-N 427.505 3.465 0 1 IGAF CCOc1ccc(-c2nn(C(=O)c3ccnc(NN)c3)c(=O)c3ccccc23)cc1OCC 587668516 CTPRVKMFLDCEKH-UHFFFAOYSA-N 445.479 3.230 0 1 IGAF CCOC(=O)c1cnn2cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cnc12 587790557 CSBAFXYLONRFSK-BMLIUANNSA-N 433.281 3.431 0 1 IGAF C=CC(=O)N1CCc2[nH]c3c(C(N)=O)c(-c4ccc(OCc5ccccc5)cc4)nn3c2C1 1772635878 DQSSSEBNRLMCIQ-UHFFFAOYSA-N 441.491 3.078 0 1 IGAF 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CCOC(=O)[C@H]1CCN(Cc2ccccc2)CC[C@@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962900140 HZWKMVHVJIGIPH-FZOAFFARSA-N 440.515 3.095 0 1 IGAF COc1cccc2c3c(cnc12)CCN[C@]31CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 963050021 CJHSPDJZJVUPOR-DNQXCXABSA-N 425.529 3.384 0 1 IGAF COC[C@H]1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(c2cccc(C(=N)N)c2)C1 1772606896 QYGNVWAMIWRSDZ-QFIPXVFZSA-N 449.599 3.387 0 1 IGAF COC(=O)CS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2cc3cc(Cl)ccc3n2C)cc1 1857585835 MVUXQRUVIQNHEW-CYBMUJFWSA-N 448.928 3.269 0 1 IGAF CC(=O)N[C@@H](CSC(=S)NCCCCP(=O)(OC(C)C)OC(C)C)C(=O)O 1857651356 LWONPIQGWOGKQA-AWEZNQCLSA-N 442.540 3.007 0 1 IGAF C[C@H](C(=O)NC1CCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@H](C)[C@H]2[C@@H]1O 2356319345 AAZQACYYAIHREO-VVHJEBLUSA-N 442.604 3.093 0 1 IGAF CCCNC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC(=O)N3CCCCC3)[C@H](O)CC[C@H]2[C@@]1(C)CO 2356464163 ZWQLBFGGCAPBOK-RHEDTODXSA-N 438.609 3.080 0 1 IGAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@@H]2OC(=O)[C@]3(C)CCC[C@]1(C)[C@@H]23 2356482458 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0 1 IGAF C[C@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccc(CO)cc4)nc3n2)C[C@@H](C)O1 142917263 BMPMOFIKRWQSBW-OKZBNKHCSA-N 449.555 3.023 0 1 IGAF CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)C(=O)CCCN3S(C)(=O)=O 149553108 LTAFEXWDIARIIR-UHFFFAOYSA-N 430.457 3.341 0 1 IGAF COc1ccc(-c2c(-c3nc(C)n4ncnc(N5CC(F)C5)c34)cnn2C)c(Cl)c1 169697380 BXFYXUFELPTDMH-UHFFFAOYSA-N 427.871 3.320 0 1 IGAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(=O)OCC)cc3c2)ncn1 202745360 YLWSJVSBDQVZFO-UHFFFAOYSA-N 436.516 3.268 0 1 IGAF COc1ccc([C@@H](CCO)Nc2ccc(C(=O)NCc3cc(F)cc(F)c3)nn2)cc1 207417381 JKDJARSKMBHDFS-LJQANCHMSA-N 428.439 3.229 0 1 IGAF O=C(OCc1cc(Cl)cc(Cl)c1)N1CCC(CCNc2c(O)c(=O)c2=O)CC1 217397789 BPZLMCMEFYFVHQ-UHFFFAOYSA-N 427.284 3.146 0 1 IGAF CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(O)cc1 299882968 QPHDJLROPATLOF-NKHOYCFXSA-N 443.496 3.425 0 1 IGAF Brc1cc(/C=C\c2nc3ccc(-n4cnnn4)cc3[nH]2)cc2c1OCCO2 586999831 CGKYOZVIVRAVBQ-RJRFIUFISA-N 425.246 3.243 0 1 IGAF N[C@H](Cc1ccc(I)cc1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587184739 VHQYXVNYXWLTMR-GFCCVEGCSA-N 425.201 3.247 0 1 IGAF COc1cc2c3c(c1)O[C@@H](c1cn(CC(N)=O)c4ccc(Br)cc14)[C@@H](C2)C3=O 587417482 LCTIUABFODWBHL-LHSJRXKWSA-N 441.281 3.386 0 1 IGAF CCOC(=O)c1cnn2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cnc12 587589966 YYRRNGQWPDAGTL-RXVVDRJESA-N 431.404 3.315 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@@H]1[C@H]3C[C@H]4[C@@H]5[C@@H]3[C@@H]2[C@@H]5C2(OCCO2)[C@H]41 587606179 CATMXHSSNSKQBL-YNHCUHLASA-N 430.456 3.223 0 1 IGAF COc1cc2c(cc1OC)C1(CCOCC1)CN[C@@H]2c1c(Br)c(C)nn1C 963185929 JHCGXKBXCGYSGO-SFHVURJKSA-N 436.350 3.249 0 1 IGAF COc1cccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2NC(N)=O)c1 1857581222 ABWCFPHJZOPDTK-UHFFFAOYSA-N 436.472 3.348 0 1 IGAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC[C@H]1[C@]3(C)[C@@H](O)C[C@H]2OC(C)(C)OC[C@@]12C 2356326684 ZMLHWLZKCQDODU-AAPCAPHQSA-N 436.589 3.426 0 1 IGAF C[C@H](CC[C@H](O)CCO)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 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LYONOHCLPBJQRT-IEKZBVHVSA-N 431.485 3.002 0 1 IGAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1S(N)(=O)=O 587841604 RWOBUVMEWAIASX-ADLMAVQZSA-N 427.339 3.342 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(NS(C)(=O)=O)c2)N1 587843361 YZWFMGUJOLCYNR-MLCYQJTMSA-N 443.338 3.463 0 1 IGAF CCn1cc(-c2cc3c(-c4cccc(N5CCC[C@@H](NC(C)=O)C5)n4)n[nH]c3cn2)cn1 1772575671 ONWLFVVWPAHRLC-QGZVFWFLSA-N 430.516 3.008 0 1 IGAF N=c1[nH]c2cc(-c3ccccc3)cc(-c3ccc(C(N)=O)cc3)c2c(=O)n1C[C@H]1CCCO1 1857653217 YJVGGOHDMVXVFX-HXUWFJFHSA-N 440.503 3.421 0 1 IGAF CC(C)=CC[C@@H](C=C(CO)CCOC(=O)[C@H](C=C(CO)CCO)CC=C(C)C)C(=O)O 2356796120 MVXUPPHUWBRKNX-VXKWHMMOSA-N 438.561 3.169 0 1 IGAF CC(C)(O)C=CC[C@](C)(O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 2356800877 REVFMDKHADKHIU-DTKFVQFXSA-N 448.644 3.336 0 1 IGAF O=C(NC[C@@H]1CCCO1)C1=C(Cl)C2=N[C@@H](c3ccc(F)cc3)C[C@H](C(F)(F)F)N2N1 104010583 YADWOZJNAVULSE-BFHYXJOUSA-N 446.832 3.166 0 3 IGAF Nc1nc2c(s1)CC[C@H]2C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1 43208261 HMWUTLVINMJYPK-JZJXAQOMSA-N 449.580 3.186 0 1 IGAF CN[C@H]1[C@H](O)C[C@H]2[C@@H]3CCc4cc(OC[C@H](O)CNC(C)(C)C)ccc4[C@H]3CC[C@@]21C 66058942 WSCRKYFIJAKSPG-PLRMLGKISA-N 430.633 3.229 0 1 IGAF CC(C)[C@@H](NC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(=O)N[C@@H]1CCCCNC1=O 82082030 WJVKFDBBQJKVSU-NVXWUHKLSA-N 448.976 3.003 0 1 IGAF COc1cc2nc(N3CCC(O)CC3)nc(NCc3c(F)cccc3F)c2cc1OC 82129154 ZNVDDARLUYBFKY-UHFFFAOYSA-N 430.455 3.498 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CN(C)C1 95868702 GPNMEXOZQNVNTB-HXUWFJFHSA-N 438.503 3.090 0 1 IGAF O=C(Cc1ccncc1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 95873746 SDSXGZBNTFUEJJ-ZWEKWIFMSA-N 442.563 3.137 0 1 IGAF C[C@@H]1CN(Cc2cccc(-c3cccc(CNC(=O)c4ccc5c(c4)OCO5)c3)n2)CCN1 96248488 KGIOAIQTLWUAAN-GOSISDBHSA-N 444.535 3.201 0 1 IGAF CS(=O)(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3)C2)c1 96907618 HCXRGSPOLYPBLT-OAHLLOKOSA-N 435.933 3.202 0 1 IGAF 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448.397 3.290 0 1 IGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CSc1nc(O)cc(O)n1)C1CC1 587609392 VIYOFNFXOGAEHL-GCJKJVERSA-N 438.461 3.496 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 587759248 FLSBKWBXSILELQ-CYKIYJRWSA-N 443.313 3.412 0 1 IGAF Cc1cccc(N2CC[C@@H]3CN(CCCSc4nnc(-c5cnccn5)n4C)C[C@H]32)c1 653723361 XLJQOKQZCYRQNN-WIYYLYMNSA-N 435.601 3.273 0 1 IGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(c1cccnc1)c1ccccn1 963141741 KMUSYOWLUWCXHQ-KSFYIVLOSA-N 438.509 3.471 0 1 IGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4nn(C)cc4C3)c2cn1)c1ccc(F)cc1 1772633312 RZFZKOBAVYXNRT-CYBMUJFWSA-N 434.479 3.276 0 1 IGAF CNC(=O)c1c2cc3c(cc2nn1-c1ccc(F)cc1)N(S(C)(=O)=O)CCC[C@H]3C 1857644763 CSTFUCLICZHRBT-CYBMUJFWSA-N 430.505 3.188 0 1 IGAF Cc1c(C(=O)Nc2c(F)cccc2F)sc2ncn(CC(=O)N3CCCCC3)c(=O)c12 2922350 KMEJKAFEPIFWRI-UHFFFAOYSA-N 446.479 3.309 0 3 IGAF Cc1ccc(N(CC(=O)N[C@H](C)c2ccccc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 9837933 BIMDWWKWELRPKV-MRXNPFEDSA-N 426.542 3.408 0 3 IGAF CC(C)(N)C(=O)N[C@H](CCc1ccccc1)C(=O)N1CCC2(CCc3ccccc32)CC1 13687641 WTWDWTRJQGNBBD-HSZRJFAPSA-N 433.596 3.348 0 1 IGAF COc1ccc(CSCC2(CSCc3ccc(OC)cc3)NC(=O)NC2=O)cc1 27182046 MDARUFYRRIQPHF-UHFFFAOYSA-N 432.567 3.449 0 1 IGAF CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)CC1 29564718 QIJBSROVPILMNU-HSZRJFAPSA-N 437.584 3.393 0 1 IGAF C/C=C/c1oc(=O)c(COCc2c(OC)c(C=O)c(/C=C/C)oc2=O)c(OC)c1C=O 38655031 JVZZGVWFZOLMKX-KQQUZDAGSA-N 430.409 3.018 0 1 IGAF Cc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H]2CCCN2[C@@]2(C(=O)Nc3ccc(C)cc32)[C@@H]2CCCN21 49072757 AJLWQLFSQWOCDO-CEWHCAETSA-N 428.536 3.241 0 1 IGAF NC(=O)[C@@H](CCC(F)(F)F)N(C[C@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)cc1 73163398 VBMYTMZKJLTLPO-UKRRQHHQSA-N 442.887 3.096 0 1 IGAF COc1cc(-c2csc(N3CCC[C@H]3C(=O)NCC(F)(F)F)n2)cc(OC)c1OC 82195569 YNVKKTVEFIVGRE-ZDUSSCGKSA-N 445.463 3.483 0 1 IGAF O=C(COCC(=O)Nc1ccc(Cl)cc1C(=O)O)Nc1cccc(-c2ccno2)c1 115038415 XDYKTFYVBGHQFC-UHFFFAOYSA-N 429.816 3.287 0 1 IGAF CN(C)C(=O)C1=CC[C@]2(CC1)Cc1ccc(-c3cccc(C#N)c3)cc1[C@@]21N=C(N)N(C)O1 201229717 IJSUOCAFBJGIAV-UIOOFZCWSA-N 441.535 3.311 0 1 IGAF CCCn1cnc(CCNC(=O)Nc2nc3c(s2)CN(c2cncc(OC)c2)CC3)c1 473135633 QICBTLRUKJIQBR-UHFFFAOYSA-N 441.561 3.080 0 1 IGAF O=C(c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1)N1CCN(CCO)CC1 586894867 WYZSJRWJQPABMJ-UHFFFAOYSA-N 444.620 3.359 0 1 IGAF COc1cc2c3c(c1)O[C@]1(c4c(O)cc(C)cc4C(=O)c4cc(O)cc(O)c41)[C@@H](C2)C3=O 587449310 IZYGDSCFWOICQD-LMKMVOKYSA-N 430.412 3.356 0 1 IGAF CCCc1c(O)ccc2c1O[C@H]([C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)CC2=O 587474224 CYDQUTNLWZDRLT-QRWLVFNGSA-N 446.544 3.442 0 1 IGAF CC(=O)O[C@@H]1COC(=O)/C1=C/C[C@@H]1[C@@]2(CC[C@H]3[C@@]1(C)CC[C@H]1O[C@H](C)OC[C@@]31C)CO2 653808101 JYJVKKKTUNFTIH-UIOMBFFJSA-N 434.529 3.154 0 1 IGAF COc1ccc([C@@H](O)[C@]2(c3ccc(OC)cc3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963552214 OTTOEDHYNSHDAS-GGBSJPMNSA-N 449.503 3.294 0 1 IGAF COc1c(O)ccc(C[C@H](CO)[C@@H](CO)c2cc(O)cc(O)c2)c1-c1ccc(O)cc1 2356421097 AAJUUUMILGODNM-UTKZUKDTSA-N 426.465 3.112 0 1 IGAF CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)CC[C@]32O)C[C@H]1O 2356699263 LSZYEBCGEREENJ-VQSINMCYSA-N 432.557 3.146 0 1 IGAF COc1ccccc1-c1ccnc(N[C@@H]2CO[C@@H]3[C@H](NCCCc4ccccc4)CO[C@H]23)n1 2356813093 CDKJSSINNXKKLB-WMMXXEOUSA-N 446.551 3.321 0 1 IGAF C/C=C(\C)C(=O)NCCN1C2=NC[C@H](Cc3ccccc3)N2C[C@@H]1Cc1ccc(OC)cc1 12727116 SRVIMZJNCBNYKP-WWWHHKCXSA-N 446.595 3.287 0 3 IGAF CN1CCN(C(=O)c2ccc(N3C[C@@H]4ON=C(c5c(F)cccc5Cl)[C@H]4C3)cc2)CC1 263590236 AXGVINOSAWLKIN-PXNSSMCTSA-N 442.922 3.106 0 3 IGAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)cc1OC 4296180 KYROUZKORBPBOT-FYYLOGMGSA-N 425.529 3.254 0 1 IGAF OC[C@H](NC1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1 13765983 OTAVQVGDKQYPNZ-SANMLTNESA-N 444.583 3.469 0 1 IGAF COc1ccc(COC[C@@H](Cn2ccnc2)OCc2ccc(S(C)(=O)=O)cc2)cc1 29343059 ZQZRGZFOACUHDJ-OAQYLSRUSA-N 430.526 3.097 0 1 IGAF CCN(C[C@@H]1C[C@@H](F)CN1)C(=O)c1ccc(-c2cnc3ccc(NCC4CC4)nn23)cc1 66099093 TWEYJMZZQBJMDD-UXHICEINSA-N 436.535 3.380 0 1 IGAF O=C(Nc1ccc(-c2nnc(NCCCN3CCOCC3)o2)cc1)c1ccccc1F 84619396 MUIPFQAYLPYEPC-UHFFFAOYSA-N 425.464 3.262 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)NC[C@@H]1C 95668611 YSGNECPMBZHEAJ-WCJKSRRJSA-N 443.519 3.172 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(CC2CC2)C[C@@H]1C 95679955 RQRIRLWLPMSYRH-QQMNAOGKSA-N 443.588 3.251 0 1 IGAF COc1cc(F)ccc1OC(C)(C)C(=O)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](S(C)(=O)=O)(C3)C2 101102436 OXJFVFXQQOZVHD-CAPPBMCFSA-N 439.549 3.100 0 1 IGAF O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CCCC1 101584719 VMTZDIHMLVWUQZ-LUHRYSRFSA-N 426.561 3.004 0 1 IGAF Cc1ccc(S(N)(=O)=O)cc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605346 CFARRWRAVGUDRS-DENIHFKCSA-N 425.462 3.225 0 1 IGAF CCS(=O)(=O)C[C@@]1(c2ccccc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962656415 AOILWKWRAXQDFY-DNQXCXABSA-N 438.549 3.012 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2ccc(Cl)cc2Cl)NCCc2ccc(C(=O)N(C)C)cc21 962930370 XUBBSRBGAWMOAA-QFIPXVFZSA-N 449.334 3.217 0 1 IGAF COc1nc(Br)cnc1NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 1260818391 QCQWCTMTHNOGCD-UHFFFAOYSA-N 427.107 3.496 0 1 IGAF COC(=O)C(=Cc1ccc(OC)c(OC)c1)C(=Cc1ccc2c(c1)OCO2)C(=O)OC 2356391487 YCQZYDUMZXNVBX-UHFFFAOYSA-N 426.421 3.246 0 1 IGAF COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H]3OC(C)(C)O[C@@H]32)cc(OC)c1O 2356418306 FKECPAHWABPMES-LZJOCLMNSA-N 432.469 3.340 0 1 IGAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@@H](NCc2ccc(F)cc2)C[C@H]1O 2356539701 XKYGASBEGCVMDD-BAMDZGJYSA-N 425.479 3.112 0 1 IGAF Cc1ccc(S(=O)(=O)NCCCC[C@@H](C(=O)O)N(C)C(=O)OCc2ccccc2)cc1 2356810818 BBUPOADCKQFWBJ-FQEVSTJZSA-N 448.541 3.165 0 1 IGAF Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)OCc4ccc5ccccc5c4O3)O2)c(=O)[nH]c1=O 3596706 ZHKOLIRMRROCEX-RKMYSURESA-N 442.364 3.186 0 1 IGAF CC[C@]1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(C[C@H]2COc3ccccc3O2)C1=O 12026557 KQYKLQASQVGJEY-YADARESESA-N 439.512 3.032 0 1 IGAF C[C@@H]1CCN2C[C@@]34C[C@@]5(C(=O)Nc6c5ccc5c6C=CC(C)(C)O5)C(C)(C)[C@@H]3C[C@@]12C(=O)N4 13896585 PFLGUWRTTGBMJK-TXIRLHSBSA-N 447.579 3.460 0 1 IGAF biogenic O=C(N[C@@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]2C1)c1cccnc1 25189895 GFPHDJUQZUHBMJ-YLJYHZDGSA-N 432.505 3.165 0 1 IGAF biogenic CC(C)[C@H](NC(=O)[C@H](C)NC(C)(C)c1ccccc1)C(=O)N(C)c1cccc(C(=O)O)c1 49037390 QXCWXCUYCDTBBS-UWJYYQICSA-N 439.556 3.402 0 1 IGAF CC(=O)N1CCN(C(=O)c2cnc(NCc3ccccc3)nc2-c2ccc(F)cc2)CC1 82140981 RSZLKCHYGFRFEY-UHFFFAOYSA-N 433.487 3.199 0 1 IGAF O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1cccnc1 95894607 DCPQWCYFROYRQR-AKFKNWHVSA-N 446.482 3.171 0 1 IGAF O=C1N=C2C=CC=C[C@H]2N1CCCN1CCC(N2C(=O)N=C3C=C(Cl)C=C[C@H]32)CC1 102314896 FVLUPQQGKCGHMN-WOJBJXKFSA-N 425.920 3.150 0 1 IGAF COc1ccc2c3c1O[C@@]1(C)[C@@]4(OC)C=C[C@@]5(c6c(O)ccc(O)c64)[C@@H](C2)N(C)CC[C@]351 102977512 QMJLOWCMXXVLQW-ABNLYDASSA-N 433.504 3.119 0 1 IGAF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1NC(=O)OC1CCC1 199860832 GQXJJVBYCOZSSH-UHFFFAOYSA-N 448.462 3.341 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3ccc4cn[nH]c4n3)c2)c2cncnc21 221758868 KVTDEFAKFLXLAH-UHFFFAOYSA-N 426.440 3.162 0 1 IGAF N[C@H](Cc1ccc(I)cc1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587185760 NPNBFQOGECQDHR-CYBMUJFWSA-N 432.265 3.295 0 1 IGAF O=C(N[C@@H](Cc1nc2cc(Br)cc(F)c2[nH]1)C(=O)O)OCc1ccccc1 587201681 AUIYGWJFSBOGEX-AWEZNQCLSA-N 436.237 3.387 0 1 IGAF O=C(CCCN1C(=O)c2ccccc2C1=O)c1c(CO)oc2cc(Br)cnc12 587274386 UNNQEUVVRRQTNS-UHFFFAOYSA-N 443.253 3.342 0 1 IGAF Nc1ccccc1[C@]1(C[C@@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329954 AZIAVXBQOFNHGJ-IZIIKQMZSA-N 436.439 3.170 0 1 IGAF COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)N[C@H](C)Cc1cc(Br)c(F)cc12 587809404 RHPKMKWXJKHLOC-CZSWHFQBSA-N 428.298 3.080 0 1 IGAF O=C(NCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)c1ccccn1 1857537032 OKODSFKDPWCAAS-UHFFFAOYSA-N 436.506 3.497 0 1 IGAF O=C(COc1cc(=O)oc2ccccc12)OCc1cn(Cc2ccccc2Cl)nn1 1857616833 SIOZGCLDAYJXIF-UHFFFAOYSA-N 425.828 3.208 0 1 IGAF Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)c3c[nH]ccc3=N)cc2c1 1857629252 JEKKOJCVVWFSED-GMAHTHKFSA-N 425.492 3.110 0 1 IGAF CCCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O 4435552 ZNBHFDHNRVIPLX-UHFFFAOYSA-N 430.526 3.436 0 3 IGAF Cn1c(C(=O)N2CCC[C@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc2sccc21 6577148 JAOFEKZQJPHLNB-HNNXBMFYSA-N 425.510 3.137 0 3 IGAF CN(C)CCN(Cc1cccs1)C(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O 3026007 HQHNCWXKLPNNER-UHFFFAOYSA-N 430.961 3.216 0 1 IGAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NC[C@H](O)CC 4038981 KWZQDGGXLPRYLZ-AAIMPIBUSA-N 425.529 3.130 0 1 IGAF CC(C)[C@@H](C(=O)O)N(C(=O)CC[C@@H](C)O)c1ccc(-c2ccccc2-c2nnn[nH]2)cc1 26384568 WIQNTCSSBLTCDW-VFNWGFHPSA-N 437.500 3.137 0 1 IGAF CCOC(=O)[C@@H]1[C@@H]2CC[C@@H]3C[C@]4(CCC=C[C@@H](CC)O4)NC(=N[C@]14CCC[C@H](C)O4)N23 39065527 TUPLOUKUQUZSMN-FAYUQCSZSA-N 431.577 3.488 0 1 IGAF O=C(OCCCN1CCN(CCCOC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 95755463 AJQPHVXSFPAJDZ-UHFFFAOYSA-N 446.494 3.376 0 1 IGAF COc1cccc(Nc2ccnc3[nH]c4ccc(S(=O)(=O)N5CCNCC5)cc4c23)c1 103297566 GRLLIPLZODJAQA-UHFFFAOYSA-N 437.525 3.062 0 1 IGAF Cc1nccc(Nc2n[nH]c3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)n1 117603309 HEYDCDKYVGFDOG-GOSISDBHSA-N 434.548 3.315 0 1 IGAF COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@]13[C@H]1CO[C@@H]2[C@H]13 194898892 UKKISEARMRFGRE-NRABAHDRSA-N 426.465 3.321 0 1 IGAF COc1cccc(NC(=O)[C@@H]2C[C@@H]3C[C@@H]3N2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 205048415 PGJSYZRUDFHSSL-MRFFXTKBSA-N 433.468 3.210 0 1 IGAF Cc1cc(C)cc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCN[C@H]3c2ccc(Cl)o2)c1 209534743 RHRHBYVGFCOHOU-SFHVURJKSA-N 438.915 3.262 0 1 IGAF Cc1cc([C@H](NC2=N[S@@](=O)N=C2Nc2cccc(C(=O)N(C)C)c2O)C(C)C)oc1C 253666869 GEWHNBHOBDABRZ-INZIPBBXSA-N 445.545 3.092 0 1 IGAF COCCC1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn([C@H]4CCOC4)c23)CC1 261174343 UMIQYRZUIYRXSP-KRWDZBQOSA-N 438.528 3.449 0 1 IGAF COc1cc(Br)c([C@H](N)c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1OC 586975360 NDGMULXKRJPDSU-SFHVURJKSA-N 431.290 3.275 0 1 IGAF COC(=O)c1ccc(Oc2ccc3nc([C@H](CC(N)=O)NC(=O)CC(C)C)[nH]c3c2)cc1 587203779 MEKKTHHFTFFRPO-IBGZPJMESA-N 438.484 3.221 0 1 IGAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(=O)N1CCC(O)CC1)CC2=O 587475862 QLSYUQHPEYIOEU-QHCPKHFHSA-N 439.508 3.413 0 1 IGAF Cc1cccc2c1[C@]1(CN=CNc3[nH]cnc31)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963854318 NVSUPFLZBFFXAD-QRQCRPRQSA-N 425.489 3.052 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(C4CC4)nn3)c2)c2cnccc21 1772642815 UYPQHBNKCWTBCF-UHFFFAOYSA-N 429.484 3.351 0 1 IGAF CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@@H]1c1c(Cl)cccc1Cl 1857588867 XDPKIQYCGBZKLX-MRXNPFEDSA-N 428.297 3.273 0 1 IGAF COc1ccc(-c2ccc3[nH]cc(-c4nnc(C)o4)c(=NCCN4CCOCC4)c3c2)cc1 1857608304 POQMMYBPDFBLGW-UHFFFAOYSA-N 445.523 3.435 0 1 IGAF COc1c2c(cc3c1OCO3)[C@]13C=C[C@H](OC)C[C@@H]1N(C2)C[C@H]3OC(=O)c1cccc(C)c1 1911577255 RWPMOFHNKBIUEY-OHBSULSQSA-N 449.503 3.368 0 1 IGAF Cc1cc(CNC(=O)[C@H]2CCC[C@@H](NCc3cccc(Cl)c3)CN(C)C(=O)C2)no1 2356585764 BEMARWLTVWZRPP-PKOBYXMFSA-N 432.952 3.060 0 1 IGAF O=C1c2ccccc2S(=O)(=O)c2cc(N3CCN(C(=O)c4ccccc4)CC3)ccc21 12479398 RSUICRXXTZQBQS-UHFFFAOYSA-N 432.501 3.026 0 3 IGAF Cc1nn(CCCC(=O)NCc2cccc(F)c2)c(=O)c2nn(-c3ccccc3)c(C)c12 8593333 RZGMRYDNKFVPEB-UHFFFAOYSA-N 433.487 3.435 0 1 IGAF COc1cc([C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2COC(=O)[C@@H]2C)cc(OC)c1O 13462847 VGMOUMWYTMZSAT-RAJNIJHNSA-N 432.469 3.376 0 1 IGAF Cc1ccc(S(=O)(=O)c2nnn3c2nc(NC[C@H]2CCCO2)c2ccccc23)cc1C 20355945 JLYFQKZDJUNDGV-MRXNPFEDSA-N 437.525 3.318 0 1 IGAF CCNC[C@@H]1CCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OCC)C1 27519519 IMLLLOYBXZAGOC-AWEZNQCLSA-N 431.508 3.398 0 1 IGAF O=C(Nc1nc(Cc2nnc(S)n2NC(=O)c2ccccc2)cs1)c1ccccc1 28712129 AWGZLVOZDDBKNB-UHFFFAOYSA-N 436.522 3.250 0 1 IGAF C[C@H](N)C(=O)Nc1cccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2)c1 49803611 RVJBKLQZRWUDEF-ZDUSSCGKSA-N 431.418 3.107 0 1 IGAF CC(=O)Oc1cccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)c1 72125783 NUPUXBPWNYDLDR-UHFFFAOYSA-N 425.388 3.131 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(OC(C)=O)c(OC)cc3c1[C@H](CC2)N(C)CC3=O 84759169 YBBKENRVEVDKSZ-HNNXBMFYSA-N 441.480 3.429 0 1 IGAF CCOP(=O)(OCC)[C@@H]1C[C@H](C(=O)Nc2cc(OC)c(OC)cc2C(C)=O)ON1C 95588920 DWNMKDORNDWOJA-QZTJIDSGSA-N 444.421 3.073 0 1 IGAF COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCC1 95878936 DHAYCTXCJNGNAW-KZKAQZJJSA-N 426.557 3.133 0 1 IGAF O=C(Cc1ccc(Cl)cc1)Nc1cncc(C(=O)c2cn(C3COC3)c3ncncc23)c1 169707776 GMYOFNIZAORQOV-UHFFFAOYSA-N 447.882 3.463 0 1 IGAF Cc1cc(N2CCC[C@@H](C(=O)N3CCCC3)C2)nc2nc(-c3ccnc(C4CC4)n3)[nH]c12 221405799 YBQDSCICHJNZMN-QGZVFWFLSA-N 431.544 3.440 0 1 IGAF CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587599241 WQIXNCZWVOOZPE-KWCZIXHQSA-N 440.448 3.245 0 1 IGAF CCOc1ccc(-c2nn(-c3ccc4nncn4n3)c(=O)c3ccccc23)cc1OCC 587670973 XECYZHXWRYGPAD-UHFFFAOYSA-N 428.452 3.288 0 1 IGAF O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587971098 SMWKQSZXDWERLJ-MUJYYYPQSA-N 431.242 3.403 0 1 IGAF COc1ccc2c(c1)[C@H](c1c(CCN(C)C(C)=O)cc3c(c1OC)OCO3)N[C@H]1CC[C@@H]21 962996290 OXJDHNCUAGDTLL-GREBRCKQSA-N 438.524 3.392 0 1 IGAF CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963034233 YGQMLEYEDQIGDW-SHACYNPGSA-N 435.455 3.336 0 1 IGAF COc1cccc2c3c(cnc12)CCN[C@]31C[C@H]2COC[C@@H](C1)N2C(=O)OC(C)(C)C 963062953 YJAOEPGNNMNGPT-XHNJZIHCSA-N 425.529 3.383 0 1 IGAF CCC(=O)N1N/C(=C2/C(=O)N=c3ccc(Cl)cc3=C2c2ccccc2)C[C@@H]1c1ccco1 100537812 XSLRVPOZEWRYCO-FIPQWBAWSA-N 445.906 3.434 0 3 IGAF CCCN(CCC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1 102765588 SKGADZYZDPINCO-UHFFFAOYSA-N 428.562 3.407 0 3 IGAF C=CCNC(=O)c1ccccc1N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]2(C)C1=O 2111771 UQCZEJFMDVEECK-RUZDIDTESA-N 444.491 3.332 0 1 IGAF biogenic COC(=O)c1c(O)cccc1OC/C=C/c1cccc(-c2onc(C(=O)O)c2CO)c1 14954269 DQSRCEFDWMQCCV-GQCTYLIASA-N 425.393 3.117 0 1 IGAF in-vivo COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(NC(=O)c3ccccc3)c2=O)cc1 25208410 FMAHDCMMHDCEDX-XLIONFOSSA-N 443.503 3.369 0 1 IGAF biogenic CCN(CC)C(=O)CNC(=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 26392716 BSJSJGWDVZKDCR-IYAKQEHESA-N 445.648 3.451 0 1 IGAF COC(=O)c1cc2c(cc1C(=O)OC)[C@@]1(C)CCC[C@](C)(C(=O)N3CCOCC3)[C@H]1C=C2 27524644 YUEGPBINYSBFAP-AMDXRBSFSA-N 441.524 3.210 0 1 IGAF OC[C@H]1CC=C[C@@H]1n1cnc2c(NCc3ccccc3I)ncnc21 29132058 HNEJDCMBAFNXAC-HIFRSBDPSA-N 447.280 3.153 0 1 IGAF Oc1ccc2c3c1O[C@H]1c4[nH]c5c(O)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 29410000 HOGHXUGIFWBWRC-UAZYKBCHSA-N 430.504 3.278 0 1 IGAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNC(C)(C)C3)cc2F)n1 72122654 LDQVLKOHPKFODX-UHFFFAOYSA-N 448.506 3.135 0 1 IGAF COc1ccc(C(=O)O[C@H]2CC(C)=C[C@H](OC(C)=O)[C@@]3(C)[C@@H](O)C[C@@](O)(C(C)C)[C@H]23)cc1 72125138 IVMAFAABATUTOV-JKNIEJROSA-N 446.540 3.277 0 1 IGAF CNc1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)cc2OC)ncc1C(F)(F)F 72318666 SQQAOZWYVYRYGL-UHFFFAOYSA-N 438.454 3.113 0 1 IGAF O=C(O)[C@H]1CCCC[C@H]1C(=O)NC[C@@H]1c2ccccc2CCN1C(=O)Cc1ccccc1 95872214 RAGDYQYPVCJBHC-XPWALMASSA-N 434.536 3.362 0 1 IGAF Oc1ccc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCCC3)c2n1 117683407 WAOFSGJFQLXAOO-UHFFFAOYSA-N 430.516 3.348 0 1 IGAF Cc1ccc(-n2nc(C3CCC(NC=O)CC3)cc2NC(=O)c2cnn3cccnc23)cc1 143362801 CKHUQKDSAVRQFX-UHFFFAOYSA-N 443.511 3.248 0 1 IGAF O=C(Nc1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)C2)N[C@@H]1CC[C@H](c2ccccc2)C1 169704995 ONAHFNVLVGMRIM-JXHRLWIKSA-N 434.540 3.340 0 1 IGAF O=C1NC[C@@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3ccccc3)n2)O1 169707184 FTBCZFHNYLIAKI-INIZCTEOSA-N 432.358 3.485 0 1 IGAF COc1cccc([C@H](O)[C@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1 199431511 RPKZHKUOGKQMIC-CYFREDJKSA-N 434.540 3.425 0 1 IGAF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(=O)n(CC(F)F)c2)nc1 209435264 MCMZQJPCYGYZJI-WBVHZDCISA-N 428.439 3.465 0 1 IGAF Cc1nc(-c2cnc(N)nc2C(F)(F)F)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 221281790 UUPKZABTIVGODI-CQSZACIVSA-N 428.418 3.473 0 1 IGAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)c(OC)c1 299883127 QVIRTYGBCOLAKS-HJYKFWGYSA-N 429.469 3.417 0 1 IGAF COc1ccc2cc3n(cc-2c1=NCCCN1CCOCC1)CCc1cc2c(cc1-3)OCO2 377815870 QGDGBICPAFNIPN-UHFFFAOYSA-N 447.535 3.176 0 1 IGAF O=[S@](CCCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(Br)cc1 586959205 JQMLNOIKXDCAOO-AREMUKBSSA-N 431.319 3.042 0 1 IGAF CN(C)S(=O)(=O)c1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587167797 DZWWAOVZUWOGMU-UHFFFAOYSA-N 426.477 3.077 0 1 IGAF Cn1nc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(I)c1C(=O)O 587179630 CQXOITZABQIJKF-UHFFFAOYSA-N 438.559 3.198 0 1 IGAF CCOC(=O)C1=C(C)NC2=C(c3nc4nc(O)nc(O)c4cc3CC2)[C@@H]1c1ccccc1 587554278 HVXJGWIWLOPPQD-GOSISDBHSA-N 430.464 3.317 0 1 IGAF CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)N[C@H](C)Cc1ccc(F)c(Br)c12 587792674 BUKPZWXSSDYZMR-VPPZWFAISA-N 442.325 3.470 0 1 IGAF CCNC(=O)[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCC(F)(F)C4)n3)C2)cc1 1772636950 MKOOZHAOPPEXPG-QFBILLFUSA-N 445.514 3.219 0 1 IGAF CC1(C)C[C@@H]2OC(=O)[C@H](Cc3c[nH]c4ccccc34)N=C2[C@]23C(=O)O[C@@H]4OCC(=CC[C@@H]12)[C@@H]43 2356692759 KJGOXXYRSAWVEF-KPVIIHFVSA-N 446.503 3.337 0 1 IGAF COC(=O)C=C[C@H](O)CCCC(C)=C[C@@H]1C=C(C)[C@H](C)[C@@H]2[C@@H](CC(C)C)NC(=O)[C@@]12O 2356842541 MVKLCSLMWIZPQJ-SYCYZMRYSA-N 433.589 3.297 0 1 IGAF CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1cccc(F)c1 13150667 GRIJHYHYGPHKFU-LIRRHRJNSA-N 429.517 3.489 0 3 IGAF O=c1[nH]c2ccc(N3CCC(O)(Cc4ccccc4)CC3)nc2nc1Cc1ccccc1 766686 PLDUNWBWBTYONR-UHFFFAOYSA-N 426.520 3.483 0 1 IGAF NC(N)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccc(F)cc4)[C@H](C(F)F)[C@H]3[C@@H]3CCCN32)cc1 38444302 VPNYXOTTXAXSIH-SXYSDOLCSA-N 444.501 3.169 0 1 IGAF in-vivo CCOC(=O)[C@](Cc1ccco1)(NC(C)=O)C(=O)Nc1nc2c(Cl)cccc2s1 39107740 LTQNKWCULFPBEF-LJQANCHMSA-N 435.889 3.162 0 1 IGAF COc1cc2c(cc1OC)CN(Cc1coc(=O)c(CN3CCCCCC3)c1O)CC2 79188801 WIXSWIMZWXPLTD-UHFFFAOYSA-N 428.529 3.297 0 1 IGAF biogenic COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N[C@H](C)CO)cs1 82070547 ZGVJYJIVJZNPTQ-OAHLLOKOSA-N 440.525 3.310 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@@H](C)NC[C@@H]1C 95690029 DKOCUBLREHHOPE-DMPWYTOCSA-N 443.519 3.172 0 1 IGAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2ccccc2)[C@@H](C(=O)NC2CCCC2)[C@@H]1CO 95879861 FGNUGVLPHSMYFW-IFPSDORXSA-N 447.579 3.104 0 1 IGAF S=C1NC2=C(CN(CCN3CCOCC3)C/C2=C\c2ccccc2)[C@H](c2ccccc2)N1 96282921 DBWZUCCIKZXVMG-INOOMSPWSA-N 446.620 3.191 0 1 IGAF NC(=O)[C@H]1CCCN1CCn1c(=O)nc(-c2ccccc2)c2oc3ccc(Cl)cc3c21 96909999 JTGYMZWEWLSGMM-QGZVFWFLSA-N 436.899 3.413 0 1 IGAF Cn1ccc(-c2cccc(S(=O)(=O)NCc3ccc(C(=O)Nc4cccnc4)cc3)c2)n1 103225411 DWOXNOCAQGIQHR-UHFFFAOYSA-N 447.520 3.213 0 1 IGAF COc1cc(C[C@H]2[C@@H](Cc3cc(OC)c(OC)c(OC)c3)CO[C@H]2O)cc(OC)c1OC 238735524 PIYHDSUVUSVLGU-WOGXIUBCSA-N 448.512 3.104 0 1 IGAF COc1cc(C[C@@H]2CO[C@H](O)[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 257512395 PIYHDSUVUSVLGU-KCYKTTMJSA-N 448.512 3.104 0 1 IGAF endogenous,in-man CCOC[C@H]1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)C1 261191109 ZFQKMWRZWKKMCS-INIZCTEOSA-N 438.528 3.449 0 1 IGAF COC(=O)c1cc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2cn1 586934938 DKKNYOJLXNUXTE-CQSZACIVSA-N 448.570 3.134 0 1 IGAF O=C1c2ccccc2-c2cc(CN3C(=O)c4ccccc4S3(=O)=O)nc3ccc(O)c1c23 586992923 BCORMSOPSWENHY-UHFFFAOYSA-N 442.452 3.497 0 1 IGAF O=S(=O)(Nc1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(F)cc1 587169813 AVZDDGVHXOGLIF-UHFFFAOYSA-N 435.444 3.146 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)O2 587391656 OBXWBSSXHFHZEW-JXFKEZNVSA-N 428.533 3.337 0 1 IGAF CNS(=O)(=O)c1sccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611039 ZCHQQYMYMNYDTG-OXQOHEQNSA-N 431.491 3.239 0 1 IGAF O=C(Cc1ccc(-n2cnnn2)cc1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656992 OWRKFCIGEOGYFS-UHFFFAOYSA-N 444.401 3.200 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)c3c(N)cnn3CC)c(=O)c3ccccc23)c(O)c1 587666346 ADICGAKROPCYMZ-UHFFFAOYSA-N 446.511 3.102 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CNC(=O)CCC(=O)O)(c2ccccc2)N1 587756242 QKNMYLLYXWKGDI-ASSNKEHSSA-N 449.320 3.347 0 1 IGAF Cn1c(SCCCN2C[C@@H]3[C@H](CCN3c3ccc(F)cc3)C2)nnc1-c1cnccn1 653728091 OACVKINMDRORAI-OXQOHEQNSA-N 439.564 3.104 0 1 IGAF COc1cccc(CC2CCN(CCc3cnn(-c4nccc5c(O)ncnc45)c3)CC2)c1 653742661 LHYVGHNYNLLNOV-UHFFFAOYSA-N 444.539 3.422 0 1 IGAF CC(C)(O)c1csc(-c2nc3nc(N4CCC[C@@H](C(=O)N5CCCC5)C4)ccc3[nH]2)n1 1772615824 AVMWWTOIPJUVDS-CQSZACIVSA-N 440.573 3.148 0 1 IGAF O=C(NCc1ccc(F)cc1)[C@H]1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F 3454046 ZBMXFVBRBQOKOL-MRXNPFEDSA-N 430.423 3.314 0 3 IGAF Cc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 13544137 PHWFUOBMUZKVKW-GOTSBHOMSA-N 430.504 3.148 0 3 IGAF O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 4295746 DFWPLFRCNNLWHX-YVWKXTFCSA-N 429.879 3.356 0 1 IGAF CCOC(=O)N1C=N[C@@]23[C@@H](c4ccccc4)[C@@H](c4ccccc4)[C@@]12C(=O)N(C)C(=O)N3C 31842279 XKDZKJAXJPSBMV-RJADORODSA-N 432.480 3.027 0 1 IGAF O[C@H]1CCN(Cc2ccc(Br)cc2)C[C@@H]1N1CCN(c2ccccc2)CC1 40564188 MLPKOPXBTFTBAZ-VXKWHMMOSA-N 430.390 3.207 0 1 IGAF O=c1nc2n(CCC3CC3)nc(-c3cccc(OC(F)(F)F)c3)nc-2c(=O)n1CC1CC1 49088363 GHWOIZDEIKOYGC-UHFFFAOYSA-N 447.417 3.076 0 1 IGAF CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 72118146 GYYXMDRMZFGFQG-OAQYLSRUSA-N 438.487 3.484 0 1 IGAF COCCOc1ncccc1[C@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169696356 VVUKDICEGXZZHS-MOPGFXCFSA-N 442.537 3.327 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(OCC(C)(C)O)c3Cl)C2)cc1 221201910 KLOBRSISDYSJBO-KBXCAEBGSA-N 448.951 3.135 0 1 IGAF FC1(F)CC[C@H](Nc2nc(N[C@H]3CCNC3)nc(-c3cccc(C(F)(F)F)n3)n2)C1 223137367 IXFTZPSJWXQNPG-QWRGUYRKSA-N 429.397 3.326 0 1 IGAF C[C@H](NC(=O)N(C)C)c1ccc(O[C@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 261148911 OLWMAXKMBYVYPU-YJBOKZPZSA-N 448.518 3.168 0 1 IGAF Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cncc(C)c3[nH]2)cc1 586953683 XPYGQEHJSFLQPC-KRWDZBQOSA-N 445.545 3.119 0 1 IGAF COc1cc2nc(-c3cc(S(=O)(=O)N4CCc5ccccc54)ccc3OC)[nH]c2cn1 586956303 DYBXKDIVKMJHOM-UHFFFAOYSA-N 436.493 3.394 0 1 IGAF CC1=C(c2ccc3nc([C@@H](N)Cc4cccc(Br)c4)[nH]c3c2)NNC(=O)C1 586983377 BNOMKPPCWNHENG-HNNXBMFYSA-N 426.318 3.323 0 1 IGAF COC(=O)C1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC(OC)(OC)C1 587812737 RWSSMNDQJQPRNM-DIFFPNOSSA-N 430.314 3.280 0 1 IGAF CC(C)(O)CC[C@H](O)[C@](C)(O)[C@@H]1CCC2=C3C=C[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356552262 KRFLAYQSUAPTKX-JBEIFVDISA-N 448.644 3.480 0 1 IGAF CCCCCC[C@H](O)C=CCO[C@@H]1[C@H](C)[C@H](O)[C@@]2(C)O[C@@]1(C)[C@@]1(C)OC(=O)[C@H](C)[C@H]2O1 2356747958 IWOGBRLVZBYBFT-NETFHCHWSA-N 440.577 3.112 0 1 IGAF Cc1c(C(=O)N2CCCC2)oc2c1-c1nn(CC(=O)NCc3ccc(F)cc3)cc1CC2 9441677 SXFRYJQPYSEWJI-UHFFFAOYSA-N 436.487 3.242 0 1 IGAF O=C(c1cncs1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 13738816 AVZYBGUUMIGDKC-OALUTQOASA-N 425.554 3.331 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](O)[C@](C)(O)[C@H](C)C2 15262618 RENKUVKNQJCSQP-NJDYNZTKSA-N 448.512 3.382 0 1 IGAF biogenic Cc1c(CC(=O)NCCCO[N+](=O)[O-])c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1 28862780 QJJDMVZYFRBIHO-UHFFFAOYSA-N 445.859 3.254 0 1 IGAF COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)N(C(=O)C(=O)N1CCCC1)CC2 29124119 LKHHBJGPCCWJGU-OAQYLSRUSA-N 428.916 3.454 0 1 IGAF Cc1ccc(O)c(Cn2c(NC3CCN(C[C@@H](N)C(C)C)CC3)nc3c(C)ccnc32)n1 29134083 AVBWOONGZWBZQI-LJQANCHMSA-N 437.592 3.057 0 1 IGAF CC(C)(C)c1ocnc1/C=c1\[nH]c(=O)/c(=C/c2c3ccccc3cc3ccccc23)[nH]c1=O 34987204 BINFJFZWJIHSPO-SJZPPUTKSA-N 437.499 3.313 0 1 IGAF O=C1c2ccccc2[C@](OCCN2CCNCC2)(c2ccccc2)N1Cc1ccccc1 35064345 XKJRGWIKSJTTGT-HHHXNRCGSA-N 427.548 3.466 0 1 IGAF CC(=O)N1CCC(NC[C@H]2C[C@H]3CCN2C[C@@H]3c2cc(C3CCCC3)nc(C)n2)CC1 43528214 DJSGAERVONBMNU-MZYLBHOOSA-N 425.621 3.221 0 1 IGAF biogenic O=C1OCC2=C1[C@H](c1cc(Br)cc(Br)c1O)c1cn[nH]c1N2 71280632 HEWOOYRHTDFCIG-SNVBAGLBSA-N 427.052 3.009 0 1 IGAF CCc1nnc(NC(=O)CCc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)s1 73162589 DTEPFGMDAGMACG-UHFFFAOYSA-N 444.582 3.193 0 1 IGAF Cc1ncsc1CCn1c(=O)c(NCCC(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 82209314 HUMPXZUCOLOSCM-SFHVURJKSA-N 439.585 3.491 0 1 IGAF COCCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@H]1CC[C@@H]3N1 96175369 ZNMNVYFOHQUMMT-BEFAXECRSA-N 426.538 3.386 0 1 IGAF CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@H]4C(N)[C@@H]4C3)c2c1Cl 103096742 CKLGHQVIDIYYPC-GHMZBOCLSA-N 438.948 3.056 0 1 IGAF COc1cc(C2=NN(C(C)=O)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC 169351925 TUGKKFWJBICBLS-QGZVFWFLSA-N 444.484 3.436 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587174952 TYDGWRXVUMFBGA-OAQYLSRUSA-N 431.489 3.361 0 1 IGAF COc1ccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c(I)c1 587179914 IWJNBCQQKVYISG-UHFFFAOYSA-N 428.251 3.247 0 1 IGAF O=C(O)[C@H]1[C@@H]2C[C@@H](C[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)[C@H]1C(=O)O 587347354 AZVUXYWQUUTIDF-DENWQAOXSA-N 426.396 3.070 0 1 IGAF COc1cc2c3c(c1)O[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)[C@@H](C2)C3=O 587431700 LSUUJKDDSITKAA-SGXKBVARSA-N 441.528 3.237 0 1 IGAF CC(C)(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1-n1nnn(-c2ccccc2Cl)c1=O 587649293 PBVFJVROMPTHRS-UHFFFAOYSA-N 445.932 3.254 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774087 LGBKGGQMERGHON-YUNKPMOVSA-N 435.293 3.283 0 1 IGAF CCN1C=C(C(=O)O)[C@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c2cc(OC)ccc21 962732100 WSGOZGCWSNPCBD-XMSQKQJNSA-N 446.425 3.393 0 1 IGAF O=C(N[C@H]1CCC[C@@H]1Nc1ccc(Br)cn1)c1ccccc1-n1nccn1 1772638276 ZXUXEWOUFJCMGR-HOTGVXAUSA-N 427.306 3.188 0 1 IGAF Cc1cc(-c2ccc3c([C@@H]4CCCC[C@H]4C(=O)Nc4cn(C)nc4C(N)=O)noc3c2)n[nH]1 1857571482 FMIWONHNHRKYFC-HUUCEWRRSA-N 447.499 3.271 0 1 IGAF COCC=Cc1cc(OC)c(O[C@@H](CO)[C@H](OC)c2cc(O)cc(OC)c2)c(OC)c1 2356416832 HIENHJXRSIJBSM-FCHUYYIVSA-N 434.485 3.205 0 1 IGAF CCN1C[C@@]2(C)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@]1(OC)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O 2356548822 GRAZPJAHYZSUQO-BQAIBWAHSA-N 447.616 3.130 0 1 IGAF CCN[C@@H]1CC[C@H](CCCC2CCC([C@@H]3CC[C@H](O)[C@@H](C)N3)CC2)C[C@@]1(O)CC(=O)O 2356572166 QSIJHUJKRIYOEF-IQKMUCOZSA-N 438.653 3.449 0 1 IGAF CC(C)C(=O)N1CCC2(CC1)Oc1ccc(F)cc1C(=O)[C@@]21CC(c2cccnc2)=NO1 13660450 BHMSHEFNEMQWIK-DEOSSOPVSA-N 437.471 3.376 0 3 IGAF COc1ccc(CN2C(=O)[C@@H](C)Nc3ncnc(N4CCN(c5ccccc5)CC4)c32)cc1 61959653 HMPYPOPFYABUHW-GOSISDBHSA-N 444.539 3.159 0 3 IGAF NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(c3cccs3)=NO2)cc1 12355008 RAFHHQTYCHDRHG-QGZVFWFLSA-N 427.507 3.194 0 1 IGAF COc1cc([C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2COC(=O)[C@@H]2C)cc(O)c1OC 13462839 AEHBVQHJSNELOD-RAJNIJHNSA-N 432.469 3.376 0 1 IGAF CC1(C)Cc2c(c(N3CCOCC3)nc3oc4c(NCc5cccnc5)ncnc4c23)CO1 34986641 DFDQXLVQMVNGEE-UHFFFAOYSA-N 446.511 3.466 0 1 IGAF NC[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1c1ccccc1 40491974 WOQXJNGTAUWRIE-YOEHRIQHSA-N 439.462 3.492 0 1 IGAF N[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1)Cc1ccccc1 40917366 QSUZGVQUQKRNKF-RPBOFIJWSA-N 429.564 3.033 0 1 IGAF CNc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NCc1cccs1 43553221 HFZLLPZKSYXNBO-XJPOOGSMSA-N 449.642 3.368 0 1 IGAF biogenic COc1ccc(C[C@@]2(c3ccc(F)cc3)N=C(N)N(CCCc3cccnc3)C2=O)cc1 45201775 ZEACWDJAGNNWAB-VWLOTQADSA-N 432.499 3.457 0 1 IGAF CN(C)CC(=O)N[C@@H]1CCC[C@@H](Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)C1 63539769 RGOPHVZLEMGMBZ-ZIAGYGMSSA-N 427.940 3.074 0 1 IGAF CC(=O)N[C@H](Cc1ccccc1)C(=O)OC[C@H](Cc1ccccc1)NC(=O)c1ccccc1 73297368 PKHMXEAHOIRBKO-LOSJGSFVSA-N 444.531 3.318 0 1 IGAF C[C@H]1CNc2c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c(=O)n21 82212587 NUEXKLLOLJZIEH-JTQLQIEISA-N 435.267 3.197 0 1 IGAF CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CC1)C[C@H](C)[C@H](OC)CN(C)C2=O 95679794 COVYADPIWOIZBH-GSHUGGBRSA-N 431.577 3.251 0 1 IGAF CCCSc1nc(N2CCN(C)CC2)ccc1C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 95921233 HCCPSOBZLRHGQN-RWPHOMLFSA-N 444.645 3.005 0 1 IGAF in-vitro CC1(C)NC(=O)c2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)c(F)cc2NC1=O 103298364 JTAJLKDRHDJRHT-UHFFFAOYSA-N 445.394 3.106 0 1 IGAF CNc1ccc(C(=O)N[C@H](CCCCCNC(=O)OCc2ccccc2)C(=O)O)cc1 138710906 JFZKHTQYVYNUBG-HXUWFJFHSA-N 427.501 3.398 0 1 IGAF O=C(Cc1nnc(Cc2nc3ccc(-c4ccc(F)cc4)cc3s2)o1)NC1(CO)CC1 149866927 QYLQPAPRRTUDQS-UHFFFAOYSA-N 438.484 3.260 0 1 IGAF O=C(Nc1ccc(OC2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1)N1Cc2ccncc2C1 166268647 UDEHVJMKJWNBSQ-QFIPXVFZSA-N 436.512 3.178 0 1 IGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CNCCN(C)C)c2)cc1 199947127 WEUWKQFEDRGDCN-UHFFFAOYSA-N 441.601 3.156 0 1 IGAF O=C(NC[C@@H](c1cnc(C(F)(F)F)nc1)N1CCOCC1)c1cccc(F)c1Cl 207649573 ALSLWZGLVVGBKG-AWEZNQCLSA-N 432.805 3.091 0 1 IGAF COc1cc2c(cc1OC)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1cccc(Br)c1 299822132 HCWCIVYKNNZRLS-LJQANCHMSA-N 446.297 3.221 0 1 IGAF CC(C)=CCOc1ccc(C2=C(CC(C)C)C(=O)N([C@@H](CCOCO)C(=O)O)C2=O)cc1 473240741 WBPJIPHAJKEZBY-FQEVSTJZSA-N 445.512 3.010 0 1 IGAF CCOc1ccccc1[C@@](N)(c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C(F)(F)F 587092890 OOJYOQMQIMABLW-OAQYLSRUSA-N 433.478 3.478 0 1 IGAF C=CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](C(F)(F)F)C1 618017407 KLLQTOQJMIYFRY-RYUDHWBXSA-N 432.342 3.107 0 1 IGAF CC(C)(O)CN1C[C@@H]2[C@H](c3cc(-c4cnc(N)c(OC(F)F)c4)nc(C4CC4)n3)[C@@H]2C1 653754874 DEJYDZZKKHKIFO-ZSBFGKGUSA-N 431.487 3.016 0 1 IGAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2nn(-c3ccc(OC)cc3)c(=O)nc2O)N1 962954666 XKDDOIUIZPEWHG-LFPIHBKWSA-N 431.496 3.011 0 1 IGAF CC(C)n1c(/C=C2\SC(=O)N(CC(=O)N3C[C@H](C)O[C@@H](C)C3)C2=O)nc2ccccc21 1772616530 QCKSKGALQNXSMJ-AVHMQZRNSA-N 442.541 3.289 0 1 IGAF CCOC(=O)C(CC(=O)O)=C(c1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 2356865892 WMVDOAMIXHHYPY-UHFFFAOYSA-N 443.521 3.456 0 1 IGAF Cc1ccc(S(=O)(=O)N2CCC(=O)N([C@@H](COCc3ccccc3)C(C)C)CC2)cc1 8680217 UTIBYNUQEKAUDI-QHCPKHFHSA-N 444.597 3.459 0 3 IGAF O=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1nccs1)NCc1ccccc1 13501614 NCDDUAXWTSNCJS-UHFFFAOYSA-N 436.537 3.207 0 3 IGAF CNC[C@H]1CCn2c(c(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc32)C1 13861125 GOIGMLFGWCXFQS-INIZCTEOSA-N 438.531 3.482 0 1 IGAF N[C@@H](C(=O)N1CCC[C@@H]1C(=O)NCc1cccc(O)c1)C(c1ccccc1)c1ccccc1 25967975 JSMLVEIFZKFEAG-ILBGXUMGSA-N 443.547 3.159 0 1 IGAF O=C(NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)c1ccc(Cl)nc1 49066816 KREKZWAPZKPSCR-UHFFFAOYSA-N 437.809 3.099 0 1 IGAF Cc1cc(C(=O)NC2CCN([C@H](c3cncnc3)c3ccc(Cl)cc3F)CC2)[nH]n1 72184905 VXOPEXHNHPAYSO-HXUWFJFHSA-N 428.899 3.284 0 1 IGAF COCCNC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2c1CCOC2 95563986 STRRJWGQVOFPKF-UHFFFAOYSA-N 428.432 3.468 0 1 IGAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cccs4)C[C@@H]23)cc1 95873820 DXNXIBCUAKIKFC-YNCKODKJSA-N 432.611 3.395 0 1 IGAF Cn1c(N2CCO[C@H](c3cccc(-c4cncnc4)c3)C2)nc(-c2ccncc2F)cc1=O 113089821 SYQULNHRUDPHDU-QFIPXVFZSA-N 444.470 3.016 0 1 IGAF O=C(N[C@H]1CCC[C@@H](Cn2cncn2)C1)c1ccc2[nH]nc(-c3ccc4nccn4c3)c2c1 200856474 UIMXIQNXFRZZDG-APWZRJJASA-N 440.511 3.458 0 1 IGAF Cc1cccc(Cl)c1CNc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205029069 OAMIWGUGYIHMQW-APSNUPSMSA-N 437.891 3.058 0 1 IGAF COc1cc(Nc2nc3n(n2)C[C@](C)(O)CN3Cc2ccccc2)ccc1-n1cnc(C)c1 299831178 IDMXMELTUKEKII-XMMPIXPASA-N 445.527 3.296 0 1 IGAF CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(O)cc1 299882967 QPHDJLROPATLOF-CVCGSLCWSA-N 443.496 3.425 0 1 IGAF O=S(=O)(Cc1nc2c(I)cnc(Cl)c2[nH]1)C1CCCC1 586923979 CJMQOGJTEVPZIW-UHFFFAOYSA-N 425.679 3.073 0 1 IGAF CCc1ccc2nc([C@@H](NS(=O)(=O)c3ccc(CNC(C)=O)cc3)C(C)C)[nH]c2c1 586933058 MAZLRYROHCTTDU-NRFANRHFSA-N 428.558 3.437 0 1 IGAF COC(=O)c1cc(Br)c2[nH]c(Cc3ccccc3NS(C)(=O)=O)nc2c1 586950248 SHHZRONIKQRFTM-UHFFFAOYSA-N 438.303 3.074 0 1 IGAF Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cccc(O)c3[nH]2)cc1 586953284 RDSXBOYMEDMKAJ-INIZCTEOSA-N 446.529 3.121 0 1 IGAF N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2c(Cl)ncnc2[nH]1 586976704 BMMCXOQCFJFLPY-QMMMGPOBSA-N 447.518 3.479 0 1 IGAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](N1CCS(=O)(=O)CC1)CCC3 586993454 IHYWYGDTGQDAST-GOSISDBHSA-N 434.517 3.260 0 1 IGAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c2C1 587035036 SQVXJFPHUSUAMF-UHFFFAOYSA-N 434.543 3.232 0 1 IGAF Cc1nc2[nH]c([C@H](CC(=O)O)NC(=O)OCc3ccccc3)nc2cc1Br 587202625 KAYZJZXCXJOHOZ-AWEZNQCLSA-N 433.262 3.471 0 1 IGAF CCCc1c(O)ccc2c1O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OC)CC2=O 587476315 OIYWSXSGKDPCSS-MWTRTKDXSA-N 433.501 3.479 0 1 IGAF CNS(=O)(=O)c1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587842684 WLFMJVUCZIOIQD-ADLMAVQZSA-N 427.339 3.294 0 1 IGAF C[C@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)C[C@H](C)N1 1772641107 VIRGBRQFVJELSV-RYUDHWBXSA-N 425.924 3.450 0 1 IGAF C[C@H](O)C[C@@H]1CC[C@H](C)CCCCC(=O)N(C)[C@@H](Cc2ccc(OCCO)cc2)C(=O)O1 1857595149 ZBOFYBWAWKQHPK-FUKQBSRTSA-N 449.588 3.100 0 1 IGAF CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3cccnc32)cc2cc(Cl)ccc21 1857613957 VWZIWLRCCMTSEG-UHFFFAOYSA-N 429.929 3.313 0 1 IGAF COc1cc2c(cn1)Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc1[C@@]21COC(=N)N1 1857654936 AVEZNGUMQADLGB-NRFANRHFSA-N 437.843 3.295 0 1 IGAF CCOc1cc(CCNC(=O)[C@]2(C)CON=C2c2ccc(N(C)C)cc2)ccc1OC 770247 FFWLRAWJPASZGV-XMMPIXPASA-N 425.529 3.259 0 1 IGAF CCN(CC)C(=O)[C@H]1CCCN(C(=O)CC[C@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)C1 11783527 IMCMYMXMRPKPPZ-CYFREDJKSA-N 448.007 3.419 0 1 IGAF O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(O)cccc2[C@@H]1CN1CC[C@H](O)C1 13737729 FWOHZFVTZAFRGX-YWZLYKJASA-N 435.351 3.434 0 1 IGAF COc1c(N2CC[C@@H](C3(N)CC3)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 34894597 FUIWHAOIPKPCER-SNVBAGLBSA-N 430.505 3.117 0 1 IGAF CC(C)NC(=O)N1CCN(C(=O)CO[C@H](c2cccs2)c2cccnc2Cl)CC1 45302653 MXMYDYCTSKPUFF-SFHVURJKSA-N 436.965 3.165 0 1 IGAF Cc1nc2ccccc2n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccccc2)c1=O 45385858 NIDUKJJGNGSXIT-QFIPXVFZSA-N 440.503 3.071 0 1 IGAF COC(=O)[C@@H]1C[C@@H](OC(C)=O)C(=O)[C@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@@]12C 60027366 OBSYBRPAKCASQB-AOSTWQBWSA-N 432.469 3.000 0 1 IGAF C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)C1CCCCC1)O2 95703321 WTCHHFMVAYUPLM-KMBOMGKYSA-N 443.588 3.374 0 1 IGAF CCCCO[C@H]1C[C@@H](C(=O)N[C@@H]2C[C@@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cnccn2)C1 104554145 NGVKRWVDXLJUMD-UMOCMGHHSA-N 428.577 3.063 0 1 IGAF CC[C@H](O[C@@H](CO)Cc1ccc(O)c(OC)c1)[C@@H](OC)c1cc(OC)c(O)c(OC)c1 169347501 IXDWWAKFBJRMEW-QSAZIKIQSA-N 436.501 3.210 0 1 IGAF COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCC[C@H]4C)nc3n2)cc1CO 210901262 LCHCDTGNRAZBMR-SJORKVTESA-N 449.555 3.407 0 1 IGAF FC1(F)CC[C@H](Nc2nc(N[C@@H]3CCNC3)nc(-c3cccc(C(F)(F)F)n3)n2)C1 223137308 IXFTZPSJWXQNPG-WDEREUQCSA-N 429.397 3.326 0 1 IGAF CC[C@@H](C)n1ncc(I)c1-c1nc2cc(S(=O)(=O)O)ccc2[nH]1 587179973 BMNZWYFSOQNTJW-MRVPVSSYSA-N 446.270 3.249 0 1 IGAF CCN1C(=O)C(=O)N[C@@H]2C[C@H](C(=O)Oc3ccc4ccccc4c3Br)CC[C@H]21 618015856 GQKPIMKYFDIJFR-FVQBIDKESA-N 445.313 3.023 0 1 IGAF COc1ccc2c(c1)[C@H](c1cn(C)nc1CN1C(=O)c3ccccc3C1=O)N[C@H]1CC[C@H]21 962999528 YMWVYIOXKGRSGL-XORNHQRDSA-N 428.492 3.164 0 1 IGAF CC(=O)c1ccc(NC(=O)CN(C(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 1772604186 KLDUCSXXQQAEDM-UHFFFAOYSA-N 436.489 3.359 0 1 IGAF COc1ccc(-n2cc(-c3ccccc3S(=O)(=O)c3ccc(N)cc3)nn2)c(OC)c1 1857552709 MADFKHOJLGQIAC-UHFFFAOYSA-N 436.493 3.367 0 1 IGAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(-n4ncc5c4CNC5)cc3F)sc2n1 1857612142 MWMYFKMTFGVTJT-UHFFFAOYSA-N 436.516 3.087 0 1 IGAF O=C(N[C@H]1CN(C(=O)Nc2ccc(F)cc2)CCC[C@H]1O)c1ccc(OCC2CC2)cc1 2356876222 ZIORYZOVQXFRSA-FCHUYYIVSA-N 441.503 3.402 0 1 IGAF COc1cc2c(cc1OC)Oc1c(oc3c4c(ccc3c1=O)OC(C)(C)[C@@H](O)[C@@H]4O)CO2 14440875 XVIAGVPVBYPUQJ-KNQAVFIVSA-N 442.420 3.060 0 1 IGAF biogenic COc1cc2c(cc1OC)[C@]1(O)C(=O)c3cc(OC)c4c(c3O[C@@H]1CO2)C=CC(C)(C)O4 14721547 VSSFKDAMVNYAEJ-NTKDMRAZSA-N 440.448 3.121 0 1 IGAF biogenic Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1CCc1ccccn1 26381118 XVXMFWIQPSKFSS-QHCPKHFHSA-N 444.510 3.462 0 1 IGAF CN[C@H](C)[C@@H]1CCN(c2c(F)cc3c(=O)c4c(O)nsc4n(C4CC4)c3c2OC)C1 34946065 SOJRULJEVFPUAA-GHMZBOCLSA-N 432.521 3.234 0 1 IGAF CCOc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)[C@@H]2CCCC[C@H]2N3)cc1 82205873 UZPSKOVXSFOAOM-NHCUHLMSSA-N 447.539 3.373 0 1 IGAF CC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H](c1ccccc1)CN2 82210638 QHRJIWCPLQQVEI-QGZVFWFLSA-N 445.306 3.338 0 1 IGAF CCC(=O)N1c2c(cc(OC)c(OC)c2O)[C@@]23CCN4CCC[C@@]5(CCO[C@]452)CC[C@@H]13 85741308 BJYVZJQGRUSSBS-TXCSNJEZSA-N 428.529 3.169 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccccc1F)CC31CN(C)C1 95661727 JDRLDWVJZSVXJL-HXUWFJFHSA-N 438.503 3.090 0 1 IGAF COc1ccc(S(=O)(=O)NC(=O)OC(C)(C)C)c(-c2ccc(Cn3cncn3)cc2)c1 103244568 VCRONSXPSIAQLV-UHFFFAOYSA-N 444.513 3.215 0 1 IGAF C[C@H](Oc1cc(C(=O)N[C@@H](c2nnn(C)n2)C(C)(C)C)ncc1C1CC1)C(F)(F)F 146247831 IOQQQQVNNDAJFX-BONVTDFDSA-N 426.443 3.329 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4c(c3)OCCO4)c2)c2cncnc21 169707968 RWLMCARAFUOUOB-UHFFFAOYSA-N 444.451 3.057 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCCO[C@@H]2Cc2noc(-c3ccc(F)cc3)n2)c1 210628567 XIBNNBMLUUIACY-OAQYLSRUSA-N 448.458 3.196 0 1 IGAF COc1cc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1OC 586941725 NLCRIGRINHKVQZ-UHFFFAOYSA-N 440.525 3.278 0 1 IGAF CCOC(=O)CCCC(=O)NCCC[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571901 MXZCMTSVSAXLDH-GCJKJVERSA-N 441.480 3.352 0 1 IGAF COC(=O)C1=C2CCCCCN2C(=O)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587589463 OYMZWNFBCBRQOH-PXDATVDWSA-N 449.459 3.326 0 1 IGAF COC(=O)C1CCN(C(=O)C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587765493 CQKCWHYZSCFVQS-YUNKPMOVSA-N 441.341 3.139 0 1 IGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O 587862927 LRGREMMCTAFCMT-BZNIZROVSA-N 443.422 3.492 0 1 IGAF COc1cc2c(cc1OC)[C@@]1(CCC[C@H]2C(=O)O)NCCc2ccc(C(=O)N(C)C)cc21 962931053 ZJRLSYFOBQTEPY-NSYGIPOTSA-N 438.524 3.147 0 1 IGAF Cc1ccc2c(c1)[C@]1(NCCc3nc4ccccn4c31)C(=O)[C@H](c1ccc3c(c1)OCO3)O2 962984398 DCDOGQSRJDXCSV-JYFHCDHNSA-N 439.471 3.464 0 1 IGAF C=CC(=O)Nc1ccccc1[C@@H]1CCNc2c(C(N)=O)c(-c3ccc(C)c(OC)c3)nn21 1772606076 PBPKJBZMRXWDIR-SFHVURJKSA-N 431.496 3.496 0 1 IGAF O=C1NC[C@@H]2CN(C(=O)c3ccc4cc(Oc5ccc(C(F)(F)F)cn5)ccc4n3)C[C@H]12 1772620527 RAEMQBPGBLQRJY-CJNGLKHVSA-N 442.397 3.259 0 1 IGAF CCCOC(=O)N1CCN(C(=O)c2ccc3c(Cl)c4c(nc3c2)CC[C@@H](CN)C4)CC1 1857562837 OQGPIBAXUWGLGU-OAHLLOKOSA-N 444.963 3.256 0 1 IGAF CC=C(C)C(=O)OC[C@](C)(O)[C@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)CC(C)C 2356383051 XECDMXMTNJQFPP-GPXNEJASSA-N 444.480 3.445 0 1 IGAF C[C@@H](CC[C@@H](O)[C@H](C)O)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356450420 UBCPEZWGUOSYHO-URVPHZSZSA-N 438.649 3.106 0 1 IGAF COc1ccc(C(=O)N2CC[C@H](CC(=O)O)[C@H](Cc3nc4cccc(OC)c4[nH]3)C2)cc1 2356609134 OZLMMOIILTYSNS-IAGOWNOFSA-N 437.496 3.376 0 1 IGAF COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)NCCCOC(C)C 12479502 IYMTUZCFLGYAPD-QFBILLFUSA-N 446.544 3.392 0 3 IGAF CN(Cc1nc2c(s1)CCCC2)C(=O)CCc1nnc(-c2ccc3c(c2)OCO3)o1 13636612 HCUCJTMRTDIWJS-UHFFFAOYSA-N 426.498 3.392 0 3 IGAF O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(c2nsc3ccccc23)CC1 1542241 RJSZSZMMKYSISN-UHFFFAOYSA-N 442.585 3.449 0 1 IGAF CN1CCN=C1c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1 1911692 RFXKVRQVMAZJNN-UHFFFAOYSA-N 447.451 3.046 0 1 IGAF COc1cc(C[C@@]2(CCC(=O)N(C)Cc3n[nH]c4c3CCCC4)CCC(=O)N2)ccc1F 11789929 QCCDWKOIXGJQHW-DEOSSOPVSA-N 442.535 3.066 0 1 IGAF CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)SC[C@@H](N)Cc1ccccc1 26502524 KHJOQEAFEBRPHD-RTWAWAEBSA-N 444.622 3.071 0 1 IGAF Cc1c(C)c2c(c(C)c1OC(=O)[C@H](N)C(C)C)C[C@H](CCn1ccc(=O)c(O)c1C)O2 26994335 NLIHGRROPOICNL-FXAWDEMLSA-N 428.529 3.070 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]3C[C@@H]2CN3c2ncc3cc(F)ccc3n2)c1 49071990 ZSZAGDVIYLYNLE-RBUKOAKNSA-N 443.486 3.151 0 1 IGAF Cc1nc2nc(C(=O)NC3CCOCC3)cn2c(-c2ccc(Cl)cc2Cl)c1CN 58590793 MKQAIAUZISXSET-UHFFFAOYSA-N 434.327 3.379 0 1 IGAF CN(C(=O)[C@H](N)CCCN)[C@@H](CCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 73224689 PHQBPGSGLRRVOQ-RPWUZVMVSA-N 432.568 3.304 0 1 IGAF CCc1nc(C(=O)N[C@@H](C(=O)NC2CCN(Cc3ccccc3)CC2)C(C)C)cs1 82070179 WBRHKMLPZJSWDW-OAQYLSRUSA-N 428.602 3.241 0 1 IGAF O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)c1coc(-c2ccc3c(c2)OCO3)n1 82080865 KXPQWWHWPGBWLL-LJQANCHMSA-N 447.491 3.424 0 1 IGAF COC(=O)/C=C\C/C=C\C[C@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 84759253 FNAMRDZHKYQEBA-HXVRGXFHSA-N 436.932 3.059 0 1 IGAF in-man C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2cc(/C=C/c3ccccc3)ccc2S1(=O)=O 95715720 NDWRSXXPENLXNY-YIPPQBNLSA-N 444.597 3.187 0 1 IGAF O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)Nn1c(S)nc2ccccc2c1=O 102938332 JYUCHGILZFOTDM-UHFFFAOYSA-N 442.806 3.066 0 1 IGAF COc1ccc(C(=O)N2C[C@H]3CN(c4nccc(-c5ccccc5)n4)C[C@@H]3C2)c(OC)c1 116822730 JRSCYAUGGGFBGL-OALUTQOASA-N 430.508 3.369 0 1 IGAF CCOC(=O)[C@@H](C#N)[C@@H](c1cc2ccccc2n2nnnc12)P(=O)(OCC)OCC 140059333 UKEVZTPESGYJIL-DOTOQJQBSA-N 431.389 3.288 0 1 IGAF COc1nc(-c2nnc(C(=O)c3nc4ccc(-c5ccccc5)cc4s3)o2)c(O)c(=O)[nH]1 147086498 KTPGVMICGMWNPE-UHFFFAOYSA-N 447.432 3.042 0 1 IGAF Cn1cnc(S(=O)(=O)N2C[C@H](c3cccc(F)c3)[C@@H](Nc3cccc(Cl)c3)C2)c1 220519121 IURCBZDASMYZAD-MOPGFXCFSA-N 434.924 3.481 0 1 IGAF O=S(=O)(Nc1ccncn1)c1ccc2c([C@@H]3CCCN3C3CCOCC3)nccc2c1 225052580 GCFOAVRRLQBKKC-FQEVSTJZSA-N 439.541 3.142 0 1 IGAF COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc(OC2CCOCC2)cc1 473160631 YTHDWSBLXLRNGO-UHFFFAOYSA-N 445.907 3.033 0 1 IGAF CC(C)(CO)[C@@H](O)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 586901628 UQEJPIFZPFXZCZ-INIZCTEOSA-N 443.447 3.434 0 1 IGAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587067727 MUEGSZQQQDOEDZ-MRXNPFEDSA-N 442.947 3.415 0 1 IGAF COc1ccc(Cn2c(=O)c(C(=O)NCCc3ccc(O)cc3)cc3c(N)cccc32)cc1 1772638065 QWZQVQHQZHWKTN-UHFFFAOYSA-N 443.503 3.319 0 1 IGAF Cn1ccc2c(Cc3ccc(-c4nccs4)cc3)cc(C(=O)N[C@@H]3CCOC[C@H]3O)nc21 1857651504 AUKATKSQEIQIBB-TZIWHRDSSA-N 448.548 3.167 0 1 IGAF COc1ncc(-c2cc3c(C)[nH]c(=N)nc3s2)cc1NS(=O)(=O)c1ccc(F)cc1 1857757956 PZZLYBFEQUTEIT-UHFFFAOYSA-N 445.501 3.423 0 1 IGAF CCc1cnc(N2CC=C(c3nc(COc4ccc(-n5cnnn5)cc4)cs3)CC2)nc1 1911584428 RQSQFFCUYPEOCD-UHFFFAOYSA-N 446.540 3.344 0 1 IGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(=CC(=O)OCCN(C)C)[C@H](C)[C@@H]3[C@@H](O)C[C@@H]12 2356413519 ZYHLLGTZEZUWFJ-ONLZGLJLSA-N 435.605 3.430 0 1 IGAF O=C(NCC1CCN(C(=O)C(=O)c2cc3ccccc3o2)CC1)c1ccc2c(c1)OCC2 199720110 YJLBIYNZRUYDKM-UHFFFAOYSA-N 432.476 3.219 0 3 IGAF CCCCOC(=O)NC(Nc1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F 1644576 IPFXEXVXQZROPJ-UHFFFAOYSA-N 437.362 3.093 0 1 IGAF COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(Oc3ccc(OC)cc3)nc21 4238268 YNBSOKMIPWYFOA-UHFFFAOYSA-N 434.452 3.309 0 1 IGAF COc1ccc(-c2noc(CN3CCC[C@@H](C(=O)NC4CCCCC4)C3)n2)cc1OC 6738712 JNHWHNCWPPJBKW-QGZVFWFLSA-N 428.533 3.415 0 1 IGAF COc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@@H]4C[C@@H]5OC(=O)[C@@H]3[C@@H]5C4)c2)c(OC)c1 12470398 RSKYRWYPOSHAMP-MFSCSNGFSA-N 436.464 3.092 0 1 IGAF COc1cc(OC)c(OC)cc1C[S@@](=O)c1ncccc1C(=O)Nc1ccncc1 13605312 QYPWHSRHSWAEJL-PMERELPUSA-N 427.482 3.063 0 1 IGAF NS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2cccs2)cc1Oc1ccccc1 39378682 DYJNTYXMBIWJND-UHFFFAOYSA-N 440.524 3.047 0 1 IGAF Cc1ccc([C@H](O)CNc2ccc(CCNC[C@@H](O)c3ccc(O)c(CO)c3)cc2)cc1 73222666 YUXMBKARGZWIKE-CLJLJLNGSA-N 436.552 3.204 0 1 IGAF COCCCNc1ncc(C(=O)N2CCCCC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82144063 RJCUUHJXQGFYBH-UHFFFAOYSA-N 444.532 3.244 0 1 IGAF CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2ccco2)C1 82199395 GNCMIMKLNOQTKM-RBUKOAKNSA-N 430.501 3.013 0 1 IGAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2CCc1ccccc1 95880438 HDZKUCRJJNOXRS-VGCGRUFVSA-N 448.563 3.185 0 1 IGAF COc1ccc(C(=O)N2C[C@@H]3CN(c4nccc(-c5ccccc5)n4)C[C@H]3C2)c(OC)c1 116822732 JRSCYAUGGGFBGL-RTBURBONSA-N 430.508 3.369 0 1 IGAF C[C@H]1CN(C(=O)Nc2cnc3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nn23)CCN1 118237289 VWCONLJBMSCZJJ-KBXCAEBGSA-N 441.486 3.175 0 1 IGAF CCOCCN1CCN([C@H](CN2CCC(N3CCCCC3)CC2)c2ccccc2)CC1 198331863 RVRCAYOXPHBNOJ-AREMUKBSSA-N 428.665 3.332 0 1 IGAF Cc1cnc(C(=O)N2[C@H]3CC[C@H]2[C@@H](Nc2ccc(C(F)(F)F)cn2)C3)c(-n2nccn2)c1 473170707 KYHVYSOATOWKIT-JYJNAYRXSA-N 443.433 3.242 0 1 IGAF COC(=O)c1cc2[nH]c([C@H](CCSC)NS(=O)(=O)c3ccccc3)nc2cc1OC 586938190 VJJDVUQBAZRREQ-HNNXBMFYSA-N 449.554 3.131 0 1 IGAF NS(=O)(=O)c1ccc2nc(-c3ccc(=O)n(Cc4ccc(Cl)cc4Cl)c3)[nH]c2c1 587058827 RTFRYZPUUCWBOC-UHFFFAOYSA-N 449.319 3.394 0 1 IGAF O=C(C[S@@](=O)Cn1cc(Cl)cn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662228 YCYPSLXEYUVEFD-SSEXGKCCSA-N 444.875 3.099 0 1 IGAF COc1cc2c(cc1OC)[C@H](c1ccnc3nccnc13)N(C(=O)c1ccccc1N)CC2 963146712 AAPCBLBPTVWUNA-QHCPKHFHSA-N 441.491 3.412 0 1 IGAF CCn1c(=O)cc(N2CCOCC2)c2cc(-n3c(-c4ccc(C)cc4)cn(C)c3=O)ccc21 1857566197 MVGQLEBAHQORPL-UHFFFAOYSA-N 444.535 3.323 0 1 IGAF COc1cc(Nc2nccc(-c3ccc(N4CCN[C@H](C)C4)nc3)n2)cc(OC)c1OC 3828778 GIOJCQJQBGTVBI-OAHLLOKOSA-N 436.516 3.106 0 1 IGAF COc1cc([C@@H]2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)c(OC)c(OC)c1OC 15271361 IRGHIHOWMUMHJU-ZDUSSCGKSA-N 434.441 3.453 0 1 IGAF biogenic CCC(=O)O[C@@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O 36221549 UPFVFWZGNRKYFG-CKYUGBRGSA-N 446.496 3.390 0 1 IGAF O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccc(Cl)c(Cl)c1)CCN2 82204537 QRZNECUSHXTGFP-UHFFFAOYSA-N 433.295 3.108 0 1 IGAF O=c1c(NCc2ccsc2)c2n(c(=O)n1Cc1ccncc1)[C@H](c1ccccc1)CN2 82209062 DNOZTUWMUMEOSU-IBGZPJMESA-N 431.521 3.142 0 1 IGAF Cc1cnc(NN2CCCC2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1 87613032 QOHVMMAFQYYDHW-LJQANCHMSA-N 440.935 3.320 0 1 IGAF O=C(O)C(=O)Nc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1 95554745 UIPQUPAUXQPGNS-ZDUSSCGKSA-N 439.394 3.080 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@H](C)NC[C@H]1C 95691517 WWIWLTDSUPVNED-HYFFOGBASA-N 431.577 3.299 0 1 IGAF O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 95866044 BTSNKRNUIDLFIL-OFTBERMSSA-N 439.515 3.063 0 1 IGAF CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1 95900155 QBSUFJTZYVNGJZ-LHWDRQQYSA-N 439.512 3.241 0 1 IGAF COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@H]3C[C@H]2OC(=O)c2ccc(Cl)cc2)cc1 140195314 AUWPSWVHPMLLIK-ZCNNSNEGSA-N 433.913 3.290 0 1 IGAF NC(=O)c1ccc(N[C@H]2CNCC[C@@H]2c2ccc(C(F)(F)F)c(F)c2)c2cncnc12 143783728 QFZWBDDVPDKVEO-XIKOKIGWSA-N 433.409 3.444 0 1 IGAF COC(=O)Nc1nc2ccc([C@]3(O)c4ccccc4C(=O)N3c3cccc(N)c3)cc2[nH]1 230561925 PADJXXVNKOEZEG-QHCPKHFHSA-N 429.436 3.177 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O)cc21 587403902 NBDMLEJWFGZYFH-DEOSSOPVSA-N 431.400 3.140 0 1 IGAF Cc1c(O)ccc2c1[C@@](Cc1ccc(OCc3ccccc3)cc1)(C(=O)O)N[C@H](C(=O)O)C2 963511058 SKFLNHWNSBAFIL-LVXARBLLSA-N 447.487 3.401 0 1 IGAF O=c1nc([C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)[nH]n2c(C3CCOCC3)ncc12 1772583051 BYOLYWQLPISLQI-IRXDYDNUSA-N 447.461 3.090 0 1 IGAF COc1cc(C[C@H](COC(C)=O)[C@@H](CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC 2356412243 LFUFKUFEHAHTRG-RTBURBONSA-N 446.496 3.014 0 1 IGAF COc1ccc2nc(C[C@@H]3CN(C(=O)COc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356735166 ACAMGJRYBQJFGL-IAGOWNOFSA-N 437.496 3.132 0 1 IGAF O=C(Nc1ccsc1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccs4)n3)CO[C@@H]12 25433223 COXPQKUYBDXOFQ-ABFRBSLYSA-N 430.511 3.462 0 1 IGAF biogenic O=C(Nc1ccc2cnn(S(=O)(=O)c3cccc4ccccc34)c2c1)[C@@H]1CCCNC1 40938589 NDTCTCKVFXXKQH-GOSISDBHSA-N 434.521 3.365 0 1 IGAF C[S@](=O)Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12 95595896 RSYSXDBUOKOFIE-WJOKGBTCSA-N 436.537 3.291 0 1 IGAF C[C@H]1N[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 103008195 ZKLSTLYBTHUDFT-UOWZRNCZSA-N 437.499 3.226 0 1 IGAF COc1cc(Cl)ccc1[C@H]1CN(c2nc(-c3ccncc3F)cc(=O)n2C)CCO1 113089759 UACZLSWDKQXBIF-LJQANCHMSA-N 430.867 3.221 0 1 IGAF Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cn5)cc4=O)nc31)CCNCC2 115011210 DUZLTGRITDJCLT-UHFFFAOYSA-N 435.915 3.040 0 1 IGAF CCOc1cc([C@H]2NC(=O)N[C@@H](c3cnn(C)c3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O 169688230 MZVLUZLLWRFEMJ-KURKYZTESA-N 442.497 3.163 0 1 IGAF CCOC(=O)[C@@H]1C(=O)/C(=C/c2c[nH]c3ncccc23)O/C1=N\c1ccc(NCCO)cc1C 221218316 HIYZTWSPZHDMJU-JKNYDDDMSA-N 448.479 3.125 0 1 IGAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccccc5F)CC4)[C@@H]3[C@@H](O)[C@]21C 504714238 DLPGSFRECXFFPX-LIZNTVNKSA-N 428.548 3.233 0 1 IGAF biogenic CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Cl)ncnc2[nH]1 586936917 OTHZFYILFVDPNA-LBPRGKRZSA-N 425.967 3.396 0 1 IGAF CNS(=O)(=O)c1cc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)n(C)c1 586947547 RUNKMHWFVBKEGT-UHFFFAOYSA-N 437.241 3.258 0 1 IGAF O[C@H](c1ccc(Br)cc1)c1nc2cc(I)cnc2[nH]1 586997304 PUHAKHOZIIAPIO-LLVKDONJSA-N 430.043 3.407 0 1 IGAF COC(=O)[C@@H]1CC(=O)[C@H](C(=O)OC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587097268 KNCLHJWHNWIYSS-BEFAXECRSA-N 429.428 3.241 0 1 IGAF COC(=O)[C@@H]1C(=O)C[C@@H](C(=O)OC)c2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587097271 KNCLHJWHNWIYSS-DNVCBOLYSA-N 429.428 3.241 0 1 IGAF FC(F)(F)c1nn(CCc2nc3c(S)nc(S)nc3[nH]2)cc1Br 587117529 FGNVJLWLNAQUCA-UHFFFAOYSA-N 425.259 3.151 0 1 IGAF CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587745626 GELIEYFHUSSAIF-NXXCRTJYSA-N 441.341 3.317 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CC(=O)c2cnn(C)c2)(c2cnn(C)c2)N1 587763134 IIGLVBRRZPDTQA-ODXCJYRJSA-N 446.324 3.106 0 1 IGAF CC(C)c1nn(C)c2c1[C@]1(CC(=O)[C@@H](n3cncn3)[C@@H](c3cc(F)ccc3F)C1)NCC2 962921405 SYFBFFNDWRPFIZ-XARZLDAJSA-N 440.498 3.142 0 1 IGAF COc1ccc(NC(=O)C2=C(c3ccc(C)cc3)C[C@@](C)(C(=O)NCC(C)C)NC2=O)cc1 1772579898 UISITWQSRCBVMV-SANMLTNESA-N 449.551 3.447 0 1 IGAF CN(C)c1ccccc1CNC(=O)c1csc(CCNCc2nc3ccccc3[nH]2)n1 1857547273 HKOMMPJSDHNDCW-UHFFFAOYSA-N 434.569 3.348 0 1 IGAF CNC(=N)N[C@@H]1CCCC[C@@H]1CC[C@@H](O)C[C@H](CCc1ccc(O)c(OC)c1)OC(C)=O 2356542681 ZZZMBMVXJJSIBR-MXEMCNAFSA-N 449.592 3.099 0 1 IGAF O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc(Br)ccc1F 4205849 KYRXFZUOWNKWLZ-DOTOQJQBSA-N 441.684 3.442 0 1 IGAF O=C1CC2(CCCC2)CC(=O)N1OCCCN1CCN(c2ccc3ccccc3n2)CC1 13820857 BYFYQDNROZOLIH-UHFFFAOYSA-N 436.556 3.388 0 1 IGAF CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12 26500074 VPOBJMVQYLVDFZ-GOSISDBHSA-N 443.297 3.404 0 1 IGAF Cc1cc(N2C[C@H](C)N[C@H](C)C2)c2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCO2 28948491 KBGCRLAPUXASJS-IYBDPMFKSA-N 435.977 3.423 0 1 IGAF Cc1cc(OC[C@@H](O)CNCCc2ccc(Cl)c(Cl)c2)ccc1NS(C)(=O)=O 40429770 VWBZRYYMWZMKLF-HNNXBMFYSA-N 447.384 3.245 0 1 IGAF CCCS(=O)(=O)N1CCC(CNC(=O)c2cccc(Cl)c2)(c2ccccn2)CC1 40872544 SBRZAQYMJLCFIR-UHFFFAOYSA-N 435.977 3.238 0 1 IGAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccccc1 82134075 UFUPVCRYMBRBAV-UHFFFAOYSA-N 443.551 3.474 0 1 IGAF COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205011 YHTDIOFQZHDTTM-IBGZPJMESA-N 446.507 3.052 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H](C)NC[C@@H]1C 95689113 QIMBDCVCKXPNLA-PNLZDCPESA-N 440.544 3.424 0 1 IGAF O=C(c1cccc(F)c1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 95871456 MBZDDLDSEITRDD-LSQMVHIFSA-N 448.469 3.443 0 1 IGAF C[C@@H](c1nc2nc(N3CCC[C@@H](C(=O)N4CCCC4)C3)ccc2[nH]1)n1cc(Cl)cn1 205304260 NOSUIOGIJKVTAO-LSDHHAIUSA-N 427.940 3.256 0 1 IGAF C=CN1CC[C@H]([C@@]2(c3cnccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587768823 MSWCBMQEHZTNRS-VQZRKKFQSA-N 431.309 3.148 0 1 IGAF NC[C@H]1CC[C@H](C(=O)N2CCc3ccccc3[C@H]2C(=O)Nc2ccc(C(=O)O)cc2)CC1 1772582589 VVENGVCWAPTCEF-ZJBJCVSYSA-N 435.524 3.214 0 1 IGAF COc1ccc(C(=O)[C@@H](C(=O)O)[C@@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772644343 LRVPTXGFQYAIDG-CTNGQTDRSA-N 449.525 3.038 0 1 IGAF COC(=O)[C@]1(c2ccccc2)OC(=O)c2c1ccc1c2N(C)c2cccc(C(N)=O)c2N1 2356717645 DFGUDCVWSOKLAH-XMMPIXPASA-N 429.432 3.197 0 1 IGAF O=C(Nc1cccc2c1CCCC2)[C@H]1CCCN(S(=O)(=O)c2cccc3nonc23)C1 2469230 COMKAOQZQSWILB-INIZCTEOSA-N 440.525 3.141 0 3 IGAF Cc1ccc(S(=O)(=O)C[C@@H]2O[C@H]3CCCC[C@H]3N2S(=O)(=O)c2ccc(C)cc2)cc1 95603760 UQBVUWIFGBRGGC-FSSWDIPSSA-N 449.594 3.436 0 3 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3.406 0 1 IGAF CCOC(=O)C[C@@]1(CNC(=O)OCc2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587384956 AKMONXSINSSQOA-HSZRJFAPSA-N 426.469 3.161 0 1 IGAF COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21CC(=O)c2cc(C)cc(N)c2O1 587398390 GBAWFWLFSHUUND-WKHXIAAESA-N 430.501 3.242 0 1 IGAF O=C(O)CCNC(=O)C1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2O1 587511671 MWSFPMHEBHCIFU-RUZDIDTESA-N 433.460 3.293 0 1 IGAF COc1ccc([C@]2(CCC3OCCCO3)N[C@H](C(=O)O)Cc3cccc(F)c32)c(OC)c1 962894049 HCRKRKBETKBQAE-CYFREDJKSA-N 445.487 3.229 0 1 IGAF CN[C@H](C)C(=O)Nc1cc(-c2c(C)ccc3ncccc23)cc(NC(=O)c2cn(C)cn2)n1 1772624601 IGXOXIRLVRMMJI-OAHLLOKOSA-N 443.511 3.137 0 1 IGAF CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3cccc4c3OCO4)c2)on1 1857580161 IKMDOBBXNCCKDU-UHFFFAOYSA-N 446.437 3.056 0 1 IGAF OC[C@@H]1[C@H](O)C[C@H](NCc2ccc(F)c(F)c2)[C@@H]1Cc1ccnc(-c2ccccc2)n1 2356388196 WEVBJGQAMZPVBS-CQIJRDABSA-N 425.479 3.112 0 1 IGAF COc1ccc2[nH]c(CCN(C)C(=O)[C@@H]3CCC(=O)N(Cc4cccc(F)c4)C3)nc2c1 12433566 PRRWGYCFCXHGAW-QGZVFWFLSA-N 438.503 3.150 0 3 IGAF CN1CCN(C(=O)c2ccc(N3C[C@H]4ON=C(c5c(F)cccc5Cl)[C@@H]4C3)cc2)CC1 206057332 AXGVINOSAWLKIN-YLJYHZDGSA-N 442.922 3.106 0 3 IGAF CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCN2C(=O)Cc3ccccc32)CC1 3784753 SSKYVFQDOKANDP-UHFFFAOYSA-N 449.551 3.027 0 1 IGAF COc1ccc(-c2oc3cc(O)c(OC)c(OC)c3c(=O)c2O)cc1CC[C@H](C)CO 14648360 WLKFOJZKYWLYJJ-LBPRGKRZSA-N 430.453 3.458 0 1 IGAF biogenic C[C@H](C(=O)NCCCc1ccccc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 15955179 KFBQSOSJSGXHKX-WGDIFIGCSA-N 444.535 3.341 0 1 IGAF biogenic COC(=O)CCc1cc(OC)c(O)c([C@@H](Cc2ccc(OC)c(OC)c2)C(=O)OC)c1 17258118 GYPNOLWZMZCOFY-QGZVFWFLSA-N 432.469 3.023 0 1 IGAF CNC[C@H](c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 22939249 QWIGHXLBCAYGOR-AREMUKBSSA-N 443.599 3.260 0 1 IGAF Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O 26716140 YBHBUGPAORYSHF-CETKFACHSA-N 448.412 3.330 0 1 IGAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 82140797 LIFDBDWKXNIRBE-BQFCYCMXSA-N 439.535 3.103 0 1 IGAF Cc1nc(Cl)nc(NC2=NCC3=C2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 96172418 NUQKRVBDMGUCCC-WMLDXEAASA-N 437.935 3.314 0 1 IGAF C[C@@H](Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)NOCC(=O)O 103198170 ZKYDFQPKGNZSQV-SECBINFHSA-N 434.754 3.446 0 1 IGAF CCN(CC)C(=O)C1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 144746670 QZGHXPYESMEKRT-JOCHJYFZSA-N 432.442 3.406 0 1 IGAF CS(=O)(=O)c1ccc(C(=O)NCCCCCCNC(=O)N2Cc3ccccc3C2)cc1 166142068 KIAZCIWCJCDLMA-UHFFFAOYSA-N 443.569 3.106 0 1 IGAF O=C(Nc1ccc(OC2CCN(C(=O)c3cccnn3)CC2)cc1)N1Cc2ccncc2C1 166805072 WBFDGGAXQVQQSC-UHFFFAOYSA-N 444.495 3.103 0 1 IGAF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@H](C(=O)OC)[C@H]1c1ccccc1OC(F)F 169712716 NCMOAYIUGGKZPF-ZWKOTPCHSA-N 447.438 3.349 0 1 IGAF CN(C)CCn1cc(-c2nc([C@@](C)(c3ccc(-c4cnc(N)nc4)cc3)C3CC3)no2)cn1 200168348 KDIHNMYGWTUGIV-DEOSSOPVSA-N 444.543 3.250 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)N(CCN(C)C)c2ccc(Br)cc21 587373338 UHKIQZZJGZWEEV-NRFANRHFSA-N 444.329 3.109 0 1 IGAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1c(C)nn(CC)c1C)CC2=O 587474692 GSVBZDRLNACYGU-HSZRJFAPSA-N 428.485 3.171 0 1 IGAF CN1C(=O)C[C@H]2CN[C@@](CCC(=O)O)(c3ccc4c(c3)C(C)(C)C(=O)N4)c3cccc1c32 963035064 WFANZNNIZVIZBS-SXBQZSJRSA-N 433.508 3.078 0 1 IGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1ccc(N2CCC(O)CC2)o1 963132501 BNHBTNWSKXEIAV-WMLDXEAASA-N 449.529 3.033 0 1 IGAF CCOC(=O)CC[C@]1(c2ccccc2OCC)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963465443 CNUQDUMGGQGKTG-YADARESESA-N 427.497 3.285 0 1 IGAF CC(C)Cc1cc(C(=O)Nc2csc([C@@]34CO[C@@H](C)C[C@H]3CSC(=N)N4)n2)no1 1772571490 RONGFOZZCCZHJR-SYTFOFBDSA-N 435.575 3.473 0 1 IGAF C[C@H](CC(=O)N1CCC(O)(Cn2cnc(Cc3ccccc3)cc2=O)CC1)c1ccccc1 1857771457 UKCUCPXBHFHGSE-OAQYLSRUSA-N 445.563 3.381 0 1 IGAF COc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2nnnn2Cc2ccccc2)cc1OC 95600828 AJRZZUXPGWOPID-HSZRJFAPSA-N 441.491 3.484 0 3 IGAF CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(CCCc2ccccc2)CCO1 27704650 KPZROYHABPDRTN-GOSISDBHSA-N 431.964 3.384 0 1 IGAF Cc1cc(C)n(-c2cc(NC(=O)COc3cccc(CN)c3)nc(-c3ccc(C)o3)n2)n1 29041680 RFVFHMYNJHWNDI-UHFFFAOYSA-N 432.484 3.324 0 1 IGAF CCCn1c(=O)c2[nH]c(-c3cnn(Cc4ccccc4Cl)c3)nc2n(CCC)c1=O 36124083 ARWUBYOBJLESLG-UHFFFAOYSA-N 426.908 3.272 0 1 IGAF NS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2ccco2)cc1SC1CCCCC1 39346356 NUVIWHFDMZNPEW-UHFFFAOYSA-N 446.572 3.211 0 1 IGAF Cc1ccc(-c2nc(C(=O)N[C@H](CSCc3ccccc3)C(=O)OCCN)co2)cc1 82071532 ZOXLASNXUSPFKW-HXUWFJFHSA-N 439.537 3.184 0 1 IGAF CCCNC(=O)N1CC2(CCN(CC3CC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO 95666660 KMNXFDVGZOTSST-NRFANRHFSA-N 440.588 3.389 0 1 IGAF O=C(C1CCOCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 95668396 JLFWYUZXXXGVIM-DHIUTWEWSA-N 440.971 3.308 0 1 IGAF NC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2OS(=O)(=O)O)c1 96273117 DPVWUGWSZJOOFF-UHFFFAOYSA-N 434.470 3.055 0 1 IGAF CCc1ccc(-n2c(SCc3cc(=O)n4ccccc4n3)nc3nncc-3c2O)cc1 103976769 KFSKJVBBUNJCBM-UHFFFAOYSA-N 430.493 3.335 0 1 IGAF Cc1nc2ccc(C(F)(F)F)nc2n2c(-c3cc([C@@]4(O)CCOC4)ccc3F)nnc12 145783069 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CS(=O)(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cc(F)c(CN)s2)c1 1857551345 RISGJWHZGCNANC-UHFFFAOYSA-N 425.528 3.249 0 1 IGAF N=c1[nH][nH]c2cc(-c3ccc(C(=O)N4CCN(C(=O)c5ccc(F)cc5)CC4)cc3)ccc12 1857566969 KUKLFDNMJFSFJI-UHFFFAOYSA-N 443.482 3.380 0 1 IGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@H]2C[C@@H]3C[C@H]1C[C@@](c1nc(=O)o[nH]1)(C2)C3 1857622019 BQNOGCJLFJZJQU-WAXVDGOESA-N 431.920 3.436 0 1 IGAF CN(Cc1ccccc1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccs1 198838121 CSYJHWZOABNLCH-OALUTQOASA-N 425.554 3.002 0 3 IGAF CC(C)CCn1c(Cn2c(=O)n(CCCc3nnn[nH]3)c3ccccc32)nc2ccccc21 28569862 AJHFVSKGKOJDQT-UHFFFAOYSA-N 444.543 3.393 0 1 IGAF COc1cc([C@@H]2c3cc4c(cc3[C@H](OC)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC 34290185 XQXXTTFZQSPXBR-MGNXDGSBSA-N 428.437 3.063 0 1 IGAF CC(=O)N[C@@H](Cc1ccccc1)C(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 73297371 PKHMXEAHOIRBKO-RPBOFIJWSA-N 444.531 3.318 0 1 IGAF COc1cc2nc(NCCCN3CCN(C)CC3)nc(NCCC(C)C)c2cc1OC 82130759 YGBYYYTYVUCDOM-UHFFFAOYSA-N 430.597 3.154 0 1 IGAF CC(C)OC(=O)N1CCC(n2cc(CNc3ccc(S(C)(=O)=O)cc3F)cn2)CC1 95597935 XJVPRZSPEQOTEH-UHFFFAOYSA-N 438.525 3.220 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@@H](C)NC[C@H]1C 95688235 XIVHHYMBMNMMDK-MCFFVMPBSA-N 443.519 3.172 0 1 IGAF COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)cc1 95798067 AMTKRMGMWFDPFB-BFLUCZKCSA-N 442.515 3.174 0 1 IGAF CN1c2ccc(Br)cc2[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2)[C@H]1CO 95878239 AOOQOKXOFHROHM-IPELMVKDSA-N 437.359 3.012 0 1 IGAF Cc1c(C(=O)CC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)[n+](=O)c2ccccc2n1O 138310461 LRZMCZYXJDEOLW-UHFFFAOYSA-O 435.243 3.189 0 1 IGAF Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1C1=C[C@H](N)[C@H](O)CC1 140136777 WTOKEDYFEBJMDY-FXAWDEMLSA-N 437.450 3.122 0 1 IGAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC(C(=O)N2CCCC2)C1 143491438 MTSFUMWUCMZZCL-QFIPXVFZSA-N 430.426 3.160 0 1 IGAF Cc1cnc(NCC2CCOCC2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 169693455 DLWXSBSYYZQIKK-OAQYLSRUSA-N 435.528 3.082 0 1 IGAF NC1[C@@H]2CN(c3ccc(Nc4ncc5c6ccncc6n(C6CCCC6)c5n4)nn3)C[C@H]12 169706734 IELILXSXGFXHAH-QRTHJKPMSA-N 427.516 3.022 0 1 IGAF COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@]13[C@@H]1CO[C@@H]2[C@H]13 194898857 UKKISEARMRFGRE-RGSJLKOQSA-N 426.465 3.321 0 1 IGAF CN(C)S(=O)(=O)c1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 202013380 ACNARRABYLPZKC-UHFFFAOYSA-N 441.538 3.118 0 1 IGAF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCCOCC3)[nH]c12 222322249 YGMGSVAWSNIPEX-UHFFFAOYSA-N 431.500 3.273 0 1 IGAF COC1(CCO)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1 222755609 KGZAVBXWUBVOQO-UHFFFAOYSA-N 425.537 3.222 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc(Cl)nc1N1CCOCC1 587551101 CWGHPLDRRVATCV-PXNSSMCTSA-N 439.855 3.375 0 1 IGAF COc1cc2c(cc1OC)[C@H](C(=O)NC[C@H]1CCCO1)[C@H](c1ccccc1F)N(C)C2=O 618005378 DOZCPGNIRTZEAI-GBSMKCJWSA-N 442.487 3.049 0 1 IGAF O=C1C[C@@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3ccc4ccccc4n3)CC2)N1 1857571346 VPAYUEPNTGNAHG-FQEVSTJZSA-N 431.418 3.434 0 1 IGAF O=C1c2sc(N3CCOCC3)nc2N(Cc2ccccc2)C(=O)CN1Cc1ccccc1 1857590343 AXTUNBBLGHNSPT-UHFFFAOYSA-N 448.548 3.169 0 1 IGAF CC1=CC(=O)O[C@@H]1CC[C@]1(C)O[C@]2([C@@H]3C[C@@H]3C)O[C@@H]3C[C@H](C)[C@@H]4C(=O)[C@H]1[C@@]2(O)[C@@H](C)[C@H]43 2356422594 FAENNAPQJGMWNW-PIXMHHKDSA-N 430.541 3.017 0 1 IGAF CCN1C[C@@]2(C)CC[C@H](OC)[C@@]34[C@H]2C[C@@H]([C@@H]13)[C@@]1(OC)C[C@@H](OC)[C@@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O 2356548823 GRAZPJAHYZSUQO-HPDJUWHNSA-N 447.616 3.130 0 1 IGAF CCOC(=O)[C@@H](c1nnnn1-c1cc(C)c(C)cc1NC(=O)OC(C)(C)C)N1CCCC1 205859598 JMXIPEHSXAWQII-GOSISDBHSA-N 444.536 3.326 0 3 IGAF COc1ccccc1C(=O)N1[C@@H](CC(=O)Nc2ccccc2C)C(=O)N[C@H]2CCCC[C@H]21 2433704 FIGDOCNLWXUSOK-HBMCJLEFSA-N 435.524 3.284 0 1 IGAF O=C(Cc1csc2ccccc12)Nc1ccsc1-c1nc(C(=O)O)c(O)c(=O)[nH]1 3583400 YAVCDOHXIACIMS-UHFFFAOYSA-N 427.463 3.298 0 1 IGAF Cc1cccc2c1-c1sc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc1CO2 9970094 TWOOREGTBDALAN-UHFFFAOYSA-N 428.535 3.236 0 1 IGAF CCN(CC)C(=O)CNc1nc2cc3nc(NCC(=O)N(CC)CC)sc3cc2s1 27181880 JMQOYVSOPFSUOK-UHFFFAOYSA-N 448.618 3.467 0 1 IGAF CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](CO)c1ccc(F)cc1F 40565684 VFUCISRJYLDARP-XPWALMASSA-N 442.506 3.155 0 1 IGAF CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2C)([C@H]2CCCCN2C)CC1 40865704 SWVVSDXPKAMGBO-OAQYLSRUSA-N 435.634 3.031 0 1 IGAF CCN(CC)c1ccc(C2=NN(C(=O)CO)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)cc1 58583934 WJZOODGPEUXWRA-FQEVSTJZSA-N 441.528 3.229 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)NCc1ccccc1N 82197953 WHGHZZXFFBGAPD-JUADFYSCSA-N 435.568 3.470 0 1 IGAF COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccco3)C[C@]21C 84619358 BTVVVOJWIIFSJS-GRTRAUACSA-N 432.469 3.000 0 1 IGAF CNC(=O)Cc1ccc(-c2cc(C)cc(-c3ccc(CC(=O)NC)cc3)c2OCCO)cc1 95585331 ZEGUVNVZCCMBEF-UHFFFAOYSA-N 446.547 3.277 0 1 IGAF CCCC1=C(/C=C/C(=O)O)C(=O)[C@H](C(C)(C)[C@@H]2OC(CCC)=C(/C=C/C(=O)O)C2=O)O1 104683009 KWMYIEZXXJZBPU-MYOPHAJQSA-N 432.469 3.338 0 1 IGAF O=C(O[C@@H]1CCNC1)c1ccc2c(c1)-c1cc(Cl)c3cccnc3c1NS2(=O)=O 141824205 HHHISKQATYFMSQ-GFCCVEGCSA-N 429.885 3.188 0 1 IGAF O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(C2CCCC2)CC1 148940509 YGKHSGWGLRGYDC-UHFFFAOYSA-N 438.547 3.079 0 1 IGAF CC(=O)n1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O 200526334 TZVHQOORWPGESA-UHFFFAOYSA-N 446.866 3.437 0 1 IGAF C[C@H](CF)Nc1ncc2c(n1)CN(C(=O)N[C@H](CO)c1ccc(Cl)c(Cl)c1)CC2 209317547 NKNUQZHMMQRLME-PIGZYNQJSA-N 442.322 3.355 0 1 IGAF O=C(CN(Cc1ccccn1)Cc1ccccn1)NCc1ccc(-c2csnn2)cc1 230559034 HCEAXMJYIVXTCO-UHFFFAOYSA-N 430.537 3.314 0 1 IGAF CCOC(=O)CNC(=O)C(=O)c1[nH]c2cc(OC)cc(OC)c2c1-c1ccc(Cl)cc1 299865375 NOWMEQYXODYIEE-UHFFFAOYSA-N 444.871 3.368 0 1 IGAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 586946555 RLVZFRFQEISKNG-LLVKDONJSA-N 425.432 3.413 0 1 IGAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(Br)c(F)c4[nH]3)c2N)C1 586954882 IGBUVXAXEPPLHB-UHFFFAOYSA-N 439.310 3.031 0 1 IGAF CCc1ccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2c1 586960574 NGEPICDRFIDXCJ-UHFFFAOYSA-N 438.509 3.067 0 1 IGAF CCCCc1c(CC(=O)N[C@H]2CCOC2=O)[nH]c2c1c(Br)cc1n[nH]cc12 587622711 FNVCVBKZHSNXCK-ZDUSSCGKSA-N 433.306 3.124 0 1 IGAF O=C(O)c1nc[nH]c1[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962698532 MYYDMRYHDWVZHE-YWZLYKJASA-N 449.360 3.157 0 1 IGAF Nc1ccc2c(c1N)[C@]1(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc31)c1ccccc1C2=O 962769530 SDAMFPCSUHWPSL-WZONZLPQSA-N 437.421 3.333 0 1 IGAF CCOC(=O)c1nocc1[C@@]1(c2ccc(F)cc2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963034226 YGQMLEYEDQIGDW-BSEYFRJRSA-N 435.455 3.336 0 1 IGAF O=C(NCc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCO3)cc1)c1ccc(F)cc1 1857574898 VIESHQCLNWQZKM-UHFFFAOYSA-N 440.496 3.169 0 1 IGAF COCCN[C@H]1CC[C@H](Nc2cc(-c3csc(=NCC4CCOCC4)[nH]3)ccn2)CC1 1857648736 DEWAJJDQBSQETK-MXVIHJGJSA-N 445.633 3.425 0 1 IGAF Cc1c(C(=O)NCc2cccnc2)oc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc12 2459686 MQCPVKMVVLSFJW-OAHLLOKOSA-N 427.526 3.487 0 3 IGAF O=C(NCCn1ccc2ccccc21)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12 9406997 KTJWYVANAYHBMT-UHFFFAOYSA-N 442.519 3.218 0 1 IGAF COc1cc2oc(C)cc(=O)c2c(O)c1Cc1c(O)c(C)c(O)c2c1C[C@H](C)OC2=O 13385318 UHMOSKKGJKWQDG-VIFPVBQESA-N 426.421 3.227 0 1 IGAF biogenic CO[C@H]1CCCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)n2)C1 40567225 OEEUMPNQAQQLCE-NRFANRHFSA-N 433.508 3.452 0 1 IGAF O=C(CN1CCN(Cc2c(Cl)cccc2Cl)CC1)Nc1ccc2c(c1)OCC(=O)N2 43080439 MKERKRJWVKVELC-UHFFFAOYSA-N 449.338 3.081 0 1 IGAF O=S(=O)(NC[C@@H](NC12CCC(CC1)CNC2)c1ccccc1)c1ccc(Cl)cc1 58512575 MRZOLFKPZOCHHE-PDRFFQIWSA-N 434.005 3.481 0 1 IGAF O=C(Nc1ccccc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO 95866986 VXOIHSRQZAPVKT-XJABCFGWSA-N 439.491 3.205 0 1 IGAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cccc(C(=O)N3CCCCC3)c2)c1 114078405 BVBHSYHAYCYSAG-UHFFFAOYSA-N 446.555 3.082 0 1 IGAF C/C1=C/[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)/C=C/[C@@H](C)[C@@H]1O 139772505 SQRHAWJNRYYSGK-AHYNVWOCSA-N 443.584 3.134 0 1 IGAF COC1CCC2(CC1)Cc1ccc(-c3cnc(C)nc3)cc1[C@@]21N=C(N)N(C(C)C)C1=O 146798451 NMLXZDVITXVSBZ-VZTJNBFISA-N 433.556 3.344 0 1 IGAF Cc1nc([C@](C)(NC(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)C2CC2)no1 206693678 LMOUOSYDRNXILO-HXUWFJFHSA-N 433.459 3.072 0 1 IGAF CCOc1ncccc1-c1noc([C@@H]2CCN2C(=O)c2ccc(C)cc2-n2nccn2)n1 218079631 STXGYVJCUCFQQD-KRWDZBQOSA-N 431.456 3.007 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)N[C@H](C)CN(C)C 299875167 COQYUVRGJNTWRM-FQQGMQMYSA-N 425.529 3.252 0 1 IGAF Nc1ccnc2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc12 586978056 KRLAZKUARGKXBF-JTQLQIEISA-N 427.100 3.013 0 1 IGAF NS(=O)(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587026602 LRDDCDPFFBFMAT-CCKFTAQKSA-N 444.582 3.347 0 1 IGAF CCS(=O)(=O)c1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c1 587182175 MKVRHKBEJFGZGV-JTQLQIEISA-N 444.298 3.075 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cccc(O)c2C(=O)c2c(O)cc(C(=O)O)cc21 587403903 NBDMLEJWFGZYFH-XMMPIXPASA-N 431.400 3.140 0 1 IGAF CC[C@H](C)c1ccc2[nH]c(-c3ccc4c(c3)CCC4)c(-n3c(=O)n(C)c(=O)n(C)c3=O)c2c1 587643756 XGVPUSUJSSXTAW-HNNXBMFYSA-N 444.535 3.385 0 1 IGAF Cc1cccc([C@]2(CS(C)(=O)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587851919 YHPPFDYJXCRUND-KPZWWZAWSA-N 427.339 3.114 0 1 IGAF O=S(=O)(c1ccc(-c2ccc3nccc(N=c4cc[nH]cc4)c3c2)cc1)N1CCOCC1 1772634324 NYYKTTAJWIPWBK-UHFFFAOYSA-N 446.532 3.483 0 1 IGAF Nc1ccc2c(c1)C[C@H](n1nc(-c3cc(F)c4c(c3)NCCO4)c3c(N)ncnc31)CC2 1772650094 UZGODYPLGUGUMS-MRXNPFEDSA-N 431.475 3.331 0 1 IGAF CN1[C@H](C(=O)NCc2cccc(Br)c2)C[C@H]2Cn3c(nc4ccccc43)[C@@H]21 36378228 UMLIEVFDAPIGBA-ZOCIIQOWSA-N 425.330 3.490 0 3 IGAF COc1cc(NCc2ccc3nc(N)nc(N)c3c2)c(Br)c(OC)c1OC 3814869 OEBQVPWTSLNEPJ-UHFFFAOYSA-N 434.294 3.195 0 1 IGAF O=C(O)c1cc(CCn2cnc3c2NC=NC[C@@H]3O)c2cc(Br)ccc2c1 13861924 AJEMOPXEMMOAAC-INIZCTEOSA-N 429.274 3.227 0 1 IGAF COc1ccc(C(=O)O[C@@H]2C[C@H]3C[C@@H](OC(=O)c4ccc(OC)cc4)[C@@H](C2)N3C)cc1 14590304 CYYVWDCOFOKRDD-ZHNGQKSSSA-N 425.481 3.321 0 1 IGAF biogenic COc1cc([C@H]2c3c(cc(OC)c(OC)c3OC)[C@H](O)[C@H]3COC[C@H]23)cc(OC)c1OC 15161066 LFNWRGIHYDICIR-VDKWYEAUSA-N 446.496 3.180 0 1 IGAF COc1ccc([C@H]2Oc3c(OC)c(Cl)c4ccc(=O)oc4c3O[C@@H]2CO)cc1OC 64448523 LLYVZFICRTUAKA-RHSMWYFYSA-N 434.828 3.346 0 1 IGAF CN([C@@H]1CCc2c(CC(=O)O)c3ccc(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 66101604 LUSAWDRMCLUELC-OAHLLOKOSA-N 434.464 3.182 0 1 IGAF COc1cc2nc(NCCc3cccc(OC)c3OC)nc(NC[C@H](C)O)c2cc1OC 82129049 VLDCPMIJAIQCLE-AWEZNQCLSA-N 442.516 3.112 0 1 IGAF COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)NCC2CC2)cc(OC)c1OC 82143686 IOUNPVROHOEJOV-UHFFFAOYSA-N 428.533 3.401 0 1 IGAF COc1ccc(CN([C@@H](C(N)=O)C(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1F 95552145 NQHKHZHYKGXHLY-GOSISDBHSA-N 428.913 3.189 0 1 IGAF COc1ccc(NS(=O)(=O)c2ccc(-c3cnco3)s2)cc1N1C[C@H](C)N[C@H](C)C1 95598516 MSZOPBLHRJWRNK-OKILXGFUSA-N 448.570 3.399 0 1 IGAF C[C@@]1(C(=O)Cc2cnccn2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1 96177857 WWZQVGWSBMOLRD-QHCPKHFHSA-N 443.515 3.034 0 1 IGAF O[C@H]1[C@@H](O)CS[C@H]1n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc21 98186606 SBJORAVUWWLBAK-URLQWDBASA-N 427.917 3.212 0 1 IGAF CCCC1=C(/C=C/C(=O)O)C(=O)[C@@H](C(C)(C)[C@H]2OC(CCC)=C(/C=C/C(=O)O)C2=O)O1 104683007 KWMYIEZXXJZBPU-SGLPVQHDSA-N 432.469 3.338 0 1 IGAF O=C(NCC1CCOCC1)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1 114869036 HXHWHRCDMIUTPR-UHFFFAOYSA-N 448.567 3.349 0 1 IGAF CC(=O)Nc1ccccc1OC[C@@H](O)CNC1CCN(Cc2ccc(Cl)cc2)CC1 137015782 XZZZCTNRNINFIV-NRFANRHFSA-N 431.964 3.292 0 1 IGAF Cc1ccc(-c2ccc(C3(c4nnc5n4CCS[C@@](C)(CO)C5)CC3)c(F)c2)nn1 148325198 ABSVLPXNRBAQSC-OAQYLSRUSA-N 425.533 3.303 0 1 IGAF C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccc(Cl)cc1 205048437 WNCMCKUNOCFBER-FSKGUYTJSA-N 437.891 3.310 0 1 IGAF Cc1ccc(O)c2c3c(nn12)CC[C@](C)(NC(=O)c1ccc(-n2nccn2)cc1Cl)C3 299863138 OMNCSXVADOUVLQ-QFIPXVFZSA-N 436.903 3.260 0 1 IGAF CCS(=O)(=O)c1cccc(Cc2nc3cc(C(=O)OC)cc(Br)c3[nH]2)c1 586922474 OPKYXLJGUIKICH-UHFFFAOYSA-N 437.315 3.496 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(C(C)=O)cc3[nH]2)C(C)C)cc1 586933116 MWDONTYCJVXGHB-NRFANRHFSA-N 442.541 3.077 0 1 IGAF N=C(N)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2c1 586949906 GEHIAMSZXKTQIM-UHFFFAOYSA-N 449.492 3.086 0 1 IGAF O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2cnncc2[nH]1)OCc1ccccc1 587203498 KBEWGTKGYXZWDU-GOSISDBHSA-N 431.452 3.454 0 1 IGAF COC(=O)C(=O)C[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587372682 QQDXPHSVRNBLSX-FQEVSTJZSA-N 432.270 3.333 0 1 IGAF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)cc4)Oc4cc(O)cc(O)c41)[C@@H](C2)C3=O 587455269 LDVWWJPNHMUJLQ-KXXXHFJOSA-N 446.411 3.158 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(Cl)ncnc1N1CCOCC1 587551670 IIARQGFVZHNWFI-OXJNMPFZSA-N 439.855 3.375 0 1 IGAF CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587580995 UOHJPQWVVNPVQE-CTUHWIOQSA-N 439.464 3.092 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ncnc2N2CCOCC2)N1 587701717 CHTBTWOWAVLZAZ-MGPLVRAMSA-N 441.732 3.492 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3nnnn3C)cc2)N1 587761130 SGOMKDAOSOPXBH-WYRIXSBYSA-N 432.297 3.314 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\NC(=O)CS2)(c2cccnc2)N1 587858252 POJHKSSJXBJSFB-IXSIOTROSA-N 434.334 3.465 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 587869085 APLPSEQDEIYQLA-CYBMUJFWSA-N 434.374 3.254 0 1 IGAF Cc1nc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)ccc1OC(C)C 653700796 LODKFRSVYBHSRD-GFCCVEGCSA-N 436.871 3.385 0 1 IGAF CCCCOc1cc(/C=C/c2ccc(OS(=O)(=O)O)cc2)cc(OS(=O)(=O)O)c1 1857537086 HRDAIHSBSBJMDM-SNAWJCMRSA-N 444.483 3.399 0 1 IGAF CC(C)C[C@H]1CN(C2CCN(c3nc(=N)[nH][nH]3)CC2)[C@@H](Cc2ccc(Cl)cc2)CN1C 1857754971 RCGRIXXPKNDBJW-SFTDATJTSA-N 446.043 3.113 0 1 IGAF O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1cccc(F)c1 95603376 OWCSYIOKNKVFDI-JOCHJYFZSA-N 443.438 3.318 0 3 IGAF COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@@H]2C)cc(OC)c1O 15044812 VGMOUMWYTMZSAT-ASNKJTAVSA-N 432.469 3.376 0 1 IGAF biogenic O=C(O)c1cn2c3c(c(N4CCNCC4)c(F)cc3c1=O)S[C@H](c1ccc(F)cc1)C2 27096853 JMCREIZBJCLMSJ-KRWDZBQOSA-N 443.475 3.235 0 1 IGAF O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1CCCNC1CCN(Cc2ccccc2)CC1 28525670 RSSDKVYHDBOIDB-DEOSSOPVSA-N 432.568 3.020 0 1 IGAF COc1ccc2c(c1)c(CC(=O)NOCCCO)c(C)n2C(=O)c1ccc(Cl)cc1 28862892 IKHHVQRHKWOTPI-UHFFFAOYSA-N 430.888 3.273 0 1 IGAF COc1cc(COC(C)=O)c(-c2cc3c(cc2COC(C)=O)OCO3)c(OC)c1OC 40407658 GVHNTBMCAMRCGV-UHFFFAOYSA-N 432.425 3.234 0 1 IGAF Cc1ccc(CNC(=O)c2cn(C)c3oc(CN(C)C[C@@H](O)c4ccco4)cc3c2=O)cc1 40935966 NTTFVKRQYOIKFA-OAQYLSRUSA-N 449.507 3.128 0 1 IGAF CN(CCN(C)S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C)c1ccc(C(F)(F)F)cn1 40936675 TXLTUHDWULHKNP-AUUYWEPGSA-N 447.523 3.194 0 1 IGAF CCOC(=O)[C@@H](C)c1nnc2c(C(=O)N(CC)CC)c(NCC(C)C)c3cccnc3n12 40957128 QXABQLDOIDLDGI-HNNXBMFYSA-N 440.548 3.494 0 1 IGAF CC(C)NC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC(=O)N3CCCCC3)[C@H](O)CC[C@H]2[C@]1(C)CO 43553812 JNURGVMCVLQXQM-ZWALLPKMSA-N 438.609 3.078 0 1 IGAF biogenic CCC(CC)C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 95575998 MEYSMMXCFXKLCG-UHFFFAOYSA-N 429.492 3.259 0 1 IGAF C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@@H]1CN(C)C(=O)C1CCC1 95701282 STOWNMHVDAONBA-GSHUGGBRSA-N 441.572 3.128 0 1 IGAF COc1ccccc1N1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccccc2[18F])CC1 101737523 HUULRXKFXMSFSP-SCADIAGYSA-N 446.579 3.200 0 1 IGAF C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cncc(Cl)c3)nc2n1 139441681 CTVFNCUSGYADEL-GJZGRUSLSA-N 440.935 3.190 0 1 IGAF O=C1C(=O)N(Cc2ccncc2)[C@@H](c2ccccc2F)[C@@H]1C(=O)c1ccc2c(c1)OCCO2 169693856 IDEQCACINOYXNU-YADHBBJMSA-N 446.434 3.144 0 1 IGAF Cc1c(C(=O)NCCO)sc2ncnc(Nc3ccc(F)cc3OC(CF)CF)c12 169708366 BRAXAQCMBMIKJL-UHFFFAOYSA-N 440.447 3.291 0 1 IGAF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3c(F)cnc(Br)c3[nH]2)s1 587023476 CJAILQZZOXVYMN-UHFFFAOYSA-N 429.275 3.649 0 1 IGAF Cc1cccnc1NC(=O)[C@@H](NS(=O)(=O)c1cccc2nsnc12)c1ccccc1 618006816 YRSZGLPGSCRRDF-KRWDZBQOSA-N 439.522 3.053 0 1 IGAF Cc1ccccc1N1CC[C@H]2CN(CCCSc3nnc(-c4cnccn4)n3C)C[C@@H]21 653723239 ANTOILZBKKIMIM-RXVVDRJESA-N 435.601 3.273 0 1 IGAF COc1cc2c(cc1OC)[C@@](CC(=O)C(F)(F)F)(c1cnn(C)c1C)N(C)[C@@H](C)C2 962622024 IWABXJVAECPLOT-YUNKPMOVSA-N 425.451 3.387 0 1 IGAF Cc1c([C@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)c(N2CCOCC2)nc2ccccc12 962925766 QUYUQKOZHDZZPO-HHHXNRCGSA-N 444.579 3.491 0 1 IGAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@]2(N1)C(=O)Nc1c(F)cc(F)cc12 963206836 YXZQQRGLDWARDF-SUMWQHHRSA-N 432.732 3.432 0 1 IGAF NC(=O)c1cccc(N[C@@H]2C(=O)NCc3cccc(c3)NC(=O)OCCc3ccc2cc3)c1 1772606816 PZXFIUXZXJXYDG-QFIPXVFZSA-N 444.491 3.360 0 1 IGAF CN(C)C(=O)CN1c2cc(C(F)(F)F)ccc2CC12CCN(CC1CCOCC1)CC2 1911583348 FWJIHFPMDSFJRI-UHFFFAOYSA-N 439.522 3.417 0 1 IGAF O=C(Nc1ccccc1)Nc1ccc([C@H](O)[C@@H]2COCC(=O)N2Cc2cccnc2)cc1 2356295969 ZDMZUOHNNZNESS-GMAHTHKFSA-N 432.480 3.187 0 1 IGAF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CCC(=CC(=O)N(C)CCO)[C@H](C)[C@@H]3[C@@H](O)C[C@H]2C1(C)C 2356505038 OYEDMBPKXCONKF-WATXDQAOSA-N 435.605 3.165 0 1 IGAF COc1cc(OC)c(OC)cc1C[C@@H]1CO[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]1CO 2356562142 OKRRXOVJIJGNAZ-SEPYTNNBSA-N 448.512 3.277 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC(C)=O)C[C@@H]2CC[C@H](OC(C)=O)[C@@H](C)[C@@]21C 2356670283 JCLSIIMGJPBTMP-ABUNESQKSA-N 448.512 3.385 0 1 IGAF O=C(CCc1nnc(-c2ccc3c(c2)OCO3)o1)N(Cc1ccncc1)C[C@H]1CCCO1 13596796 BSKMVQSJPKCQKE-GOSISDBHSA-N 436.468 3.001 0 3 IGAF COC(=O)[C@@H]1N=C(c2ccc(OC)cc2)O[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 95571172 ARNMTNVRGTVIPV-NVQXNPDNSA-N 442.471 3.456 0 3 IGAF CC1=C(C(=O)N(C)C)C[C@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(F)cc1 95600241 WFDVSVFZJXOZLS-QGZVFWFLSA-N 443.544 3.304 0 3 IGAF C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCc1ccccc1N 4202090 WHGHZZXFFBGAPD-VQPSNUGVSA-N 435.568 3.470 0 1 IGAF N=C(N)c1ccc2[nH]c(-c3cc([C@@H](CC(=O)O)C(=O)O)cc(Br)c3O)cc2c1 14955456 OQKMBFOTVQYDAF-LLVKDONJSA-N 446.257 3.230 0 1 IGAF O=C(c1ccc(F)cc1)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1 28870253 USOQNEJBIDGMCF-UHFFFAOYSA-N 425.504 3.179 0 1 IGAF C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1 29125695 CSUBHSWAYVZCDK-GOSISDBHSA-N 446.473 3.051 0 1 IGAF COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(OC)cc4)c(=O)c3c2)cc1 29133334 DOADCMDDDNIBIH-UHFFFAOYSA-N 429.476 3.392 0 1 IGAF O=C(NC[C@@H](O)c1ccccc1)c1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nn1 43203062 RSPGODWWHKNLIZ-JOCHJYFZSA-N 448.498 3.178 0 1 IGAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)c1cc(CC)on1 73221182 HGVIRYRWXZFDIP-UHFFFAOYSA-N 428.445 3.429 0 1 IGAF COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)c2coc(-c3cccs3)n2)c1OC 82085176 OXVSKBLRLOBZOQ-INIZCTEOSA-N 441.509 3.341 0 1 IGAF O=C(Cc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 95866262 FBOQZBKGMGNFKB-NLJOTIRTSA-N 444.506 3.233 0 1 IGAF Cc1n[nH]c2c(C)cc(C(=O)N3CCC4(CC3)Cc3cn(C5CCC5)nc3C(=O)N4)cc12 96283393 XWOUDZDOYRSZQK-UHFFFAOYSA-N 432.528 3.062 0 1 IGAF O=C(c1nn(C2CCCCCC2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 112942631 WZZHWENRCZGMLE-UHFFFAOYSA-N 429.542 3.205 0 1 IGAF COc1ncc(Nc2ncc([C@@H](C)N3CCOCC3)cc2-c2cc(N)nc(C)n2)cc1F 113152829 DODICWVNTJJJPT-CYBMUJFWSA-N 439.495 3.109 0 1 IGAF C[C@H]1CN(CCNC(=O)c2ccc(NC(=O)N3Cc4ccc(F)cc4C3)cc2)C[C@H](C)O1 166876840 GMGKUQWUZNKZRH-IRXDYDNUSA-N 440.519 3.212 0 1 IGAF CN1CC[C@@H](C(=O)N2CCC(c3ccc(NC(=O)N4Cc5ccncc5C4)cc3)CC2)C1 167147696 ASJRKGNYRIKKLY-OAQYLSRUSA-N 433.556 3.287 0 1 IGAF O=C([C@@H]1CCCN1C(=O)CCCc1ccc(I)cc1)N1CCCC1 169313156 LGGATUIPMFLLJI-KRWDZBQOSA-N 440.325 3.227 0 1 IGAF c1ccc(CNCC[C@@]23O[C@]4(CCNCc5ccccn5)[C@H]5[C@H]6C[C@H]([C@@H]7[C@@H]6[C@@H]4[C@@H]72)[C@H]53)nc1 195369144 GMOUWTUTWWZURS-IFJGKPPBSA-N 428.580 3.032 0 1 IGAF Cn1cnc2c(-c3cnc(OCCC4CCNCC4)c(C(F)(F)F)c3)nc(C#N)nc21 205775558 SJKIGKXSOQCXFK-UHFFFAOYSA-N 431.422 3.084 0 1 IGAF CCO[C@@H]1OC(=O)C=C1[C@]1(OCC)C[C@]2(C)[C@@H](C)C[C@H]3OC(=O)C4=CCC[C@]2(O1)[C@]43C 238787022 GLYCHOIOWACMHC-TVTTUONRSA-N 432.513 3.422 0 1 IGAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@]1(C)c1cc(OC)c(OC)c(OC)c1 299834324 LEYMCINOTNJMAQ-BJKOFHAPSA-N 444.480 3.285 0 1 IGAF CCCOc1cc2[nH]c(-c3cc(S(=O)(=O)NC)cn3C)nc2cc1Br 586947014 IHZQWMLIHMYIJB-UHFFFAOYSA-N 427.324 3.028 0 1 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CC[C@@H](CO)Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1 71788638 GFHDSVUCETUKHU-PKOBYXMFSA-N 443.935 3.080 0 1 IGAF in-vitro C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2c(NC(=O)Nc3ccccc3)cccc2C1=O 95833677 SSJJWSMGDNAKCS-LLGFUMIMSA-N 440.544 3.112 0 1 IGAF CCCCOc1nc(N)c2c(n1)N(Cc1cccc(CN3CCCC3)c1)C1(CC1)C(=O)N2 96932464 FJNQASORKJGDLW-UHFFFAOYSA-N 436.560 3.325 0 1 IGAF C=CC(=O)Nc1c(OC)cc(O)c2c(=O)n(-c3cccc(C(=O)N4CCCCC4)c3)ccc12 96938029 WATSYYTVDIXSBK-UHFFFAOYSA-N 447.491 3.456 0 1 IGAF Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(-c3ccc(CO)s3)c2c1=O 115625738 OPYANGKLEXGFCM-UHFFFAOYSA-N 434.521 3.053 0 1 IGAF c1ccc(CNCC[C@]23O[C@@]4(CCNCc5ccccn5)[C@H]5[C@@H]6[C@H]([C@@H]7C[C@@H]6[C@@H]4[C@@H]72)[C@H]53)nc1 169300150 GMOUWTUTWWZURS-IZSHRCOMSA-N 428.580 3.032 0 1 IGAF CCNC(=O)Nc1nc2cc(-c3cncc(OC)c3)c(OC[C@@H]3CCOC3)nc2s1 169340124 MNPQWORSSDHHJZ-GFCCVEGCSA-N 429.502 3.319 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@H](O)[C@@](/C=C/Cc4ccccc4)(CO)C[C@H]4[C@@H](C2)N(C)CC[C@]341 169365275 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CCDHLWIXWILVTP-CYBMUJFWSA-N 446.964 3.300 0 1 IGAF COc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccccc3F)N[C@](CC(C)C)(C(=O)O)[C@@H]2C1=O 9598154 LIFXIPQMDMQOBN-XHOYROJHSA-N 440.471 3.154 0 1 IGAF COc1ccc2c(c1)O[C@H](C)CN(CC(=O)NC[C@H](c1cccnc1)N1CCCCC1)C2 12457454 HTPZQLPQZUCOBI-AUSIDOKSSA-N 438.572 3.017 0 1 IGAF O=C1C[C@@]2(C(=O)N1)C(=O)N(Cc1ccc(Br)cc1F)c1c(Cl)cccc12 13651425 AJENNFYNQIQZAC-GOSISDBHSA-N 437.652 3.073 0 1 IGAF C[C@H](C(=O)NCc1ccccc1)C(=O)N[C@H]1C(=O)N(C)c2ccccc2-c2ccccc21 13977427 VRYUYXCAJGNNHF-UZUQRXQVSA-N 427.504 3.440 0 1 IGAF CCOC(=O)C(C(C)=O)=C1SC(N)=C2C(=O)Oc3ccccc3[C@H]2N1c1ccccc1 24718423 DLGTUDJFAMTDFY-LJQANCHMSA-N 436.489 3.434 0 1 IGAF biogenic CCCc1cc([S@](C)=O)cc(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28253310 ORNFQJMFUAJWMO-WJOKGBTCSA-N 433.537 3.434 0 1 IGAF CN1C(=O)N(C)C(=O)C2(C1=O)[C@@H](c1ccccc1)C(c1ccccc1)=NN2c1ccccc1 72118147 GYYXMDRMZFGFQG-NRFANRHFSA-N 438.487 3.484 0 1 IGAF O=c1ccnc2c(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cccn12 73311973 FNQOJOQCHZMFGH-UHFFFAOYSA-N 430.512 3.352 0 1 IGAF C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(F)(F)CC1 95561106 KUXSHWPWVWCPLO-SFHVURJKSA-N 437.487 3.012 0 1 IGAF COc1ccccc1NC(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2CC1CCOCC1 95893679 NRQOHMLKUFDDGV-WPFOTENUSA-N 437.540 3.303 0 1 IGAF CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1 95901764 ALHQUDNRSCILRO-FTJYFCJYSA-N 445.560 3.052 0 1 IGAF C[C@H]1CN(C(=O)[C@@H]2CNC[C@H]2c2ccc(F)cc2F)C[C@@H](C)[C@]1(O)c1cccc(F)c1 101338141 QFSCTVSQKUFCDY-PPPLJYFMSA-N 432.486 3.409 0 1 IGAF C[C@H]1COCCN1c1nc(N2CCN(C)CC2)nc2nc(-c3ccc(Cl)cc3)ccc12 169051292 HOZQURZJWIMNGH-INIZCTEOSA-N 438.963 3.322 0 1 IGAF C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\[C@@H]3O[C@@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 169293470 MSHYYZSYRGWFES-KJEZDJGOSA-N 437.558 3.071 0 1 IGAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](O)c4cccc(O)c4)[nH]c3c2)cc1 586892539 ROMOZISJOYDXRH-HXUWFJFHSA-N 425.466 3.160 0 1 IGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)cnc2[nH]1 586964309 ACVOXNNVLLKCFT-UHFFFAOYSA-N 433.339 3.177 0 1 IGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cncc(Br)c2[nH]1 586965442 WXNAMMWTIVGPDT-UHFFFAOYSA-N 433.339 3.177 0 1 IGAF O=C(O)CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587594620 NGIJGCGDEHOUIT-GBXCKJPGSA-N 431.400 3.071 0 1 IGAF CCOC(=O)c1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc(S(C)(=O)=O)cc12 587651305 QCNCYUMBEWBZMA-CYBMUJFWSA-N 436.530 3.473 0 1 IGAF N=c1nc(-c2ccccn2)[nH]n1-c1ncnc2cc(OCC3CC3)c(OCC3CC3)cc12 653700251 CUBJYDGEQVCROH-UHFFFAOYSA-N 429.484 3.263 0 1 IGAF COc1ccc([C@@H]2Oc3ccccc3[C@]3(N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)C2=O)cc1 963475015 YSZGJFNDQSLFFB-FPDDQMOCSA-N 445.471 3.255 0 1 IGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@@H]3CCO[C@H](C)C3)c2cn1)c1ccccc1 1772611803 DAQQYHPLOGPNDW-IDHHARJASA-N 425.489 3.413 0 1 IGAF C=CC(=O)N1CC[C@H]2[C@H](CNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)C1 1772612746 STKAJAXFRAFMLO-XLIONFOSSA-N 443.507 3.442 0 1 IGAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ncc[nH]2)c1 1772647597 WHWPZIDXSPEKNR-CQSZACIVSA-N 433.390 3.194 0 1 IGAF Cc1cc(=O)oc2cc(OCCOCCN3C(=O)C(=O)c4cc(Cl)ccc43)ccc12 1857610608 MZMXEJDZEKSNOZ-UHFFFAOYSA-N 427.840 3.380 0 1 IGAF CN1C(=O)[C@@H]2CN(C(=O)c3ccc(-c4ccccc4)cc3)CCN2C(=O)c2ccccc21 1857763081 GMPURMGTZNUOAL-QHCPKHFHSA-N 425.488 3.297 0 1 IGAF COc1ccc(-c2cc(=O)oc3cc(O[C@@H](C)C(=O)NCCCN4[CH]NC=C4)ccc23)cc1 2356867236 QUZHUXJVEWXELI-KRWDZBQOSA-N 448.499 3.238 0 1 IGAF CSc1nsc(SC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C 3959383 TWZLWAYQEBGYCY-GFCCVEGCSA-N 443.641 3.388 0 3 IGAF O=C1NCCCC[C@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 4053671 FVIUAAZRWXIEGY-QWFCFKBJSA-N 429.879 3.356 0 1 IGAF CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)Nc3ccc(C)cc3C)C(C)C)ccc21 8595926 ZIJIEKOMEIVLEQ-QFIPXVFZSA-N 443.569 3.154 0 1 IGAF O=C(CC[C@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)Nc1ccccc1 13739771 VGVGASMPXUSQSB-OAHLLOKOSA-N 428.286 3.359 0 1 IGAF O=C([C@@H]1CCCNC1)N1CCN(c2nccc(NCc3ccc(Cl)cc3Cl)n2)CC1 28566472 IXTOKIZPRAETKJ-MRXNPFEDSA-N 449.386 3.044 0 1 IGAF Cc1ccc2c(OCCN3CCN(Cc4ccc5c(c4)N(C)C(=O)CO5)CC3)cccc2n1 28954158 UDXAWWYJIGJLRA-UHFFFAOYSA-N 446.551 3.095 0 1 IGAF CN(C/C=C/c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2)CCO 36178080 JCYHJGUWBFKOMS-RMKNXTFCSA-N 444.553 3.002 0 1 IGAF CCCCOCCCNC(=O)CN(C)C(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82085647 PINRHMCMCBSXJX-UHFFFAOYSA-N 449.573 3.222 0 1 IGAF CC(=O)NCCc1ccccc1-c1cc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)no1 84616306 PNONWZINZRBQGI-DVECYGJZSA-N 441.478 3.263 0 1 IGAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CC1CCCCC1 95879397 HRSCONXGQIRHGD-LGKPFJOYSA-N 426.557 3.133 0 1 IGAF c1cc(-c2nc3nc(N4CCC[C@H](c5nnc6n5CCC6)C4)ccc3[nH]2)nc(C2CC2)n1 221092014 SKKVAJZGOPULRX-HNNXBMFYSA-N 427.516 3.214 0 1 IGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cnc(OC)nc3)c2cn1)c1ccc(F)cc1 261162817 RENVUFGCACNMIV-QGZVFWFLSA-N 437.435 3.072 0 1 IGAF COC(=O)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 586943367 SXUCPFCXNCTHEU-UHFFFAOYSA-N 428.297 3.177 0 1 IGAF NS(=O)(=O)c1cccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586985404 WFNSSKVKVPIPOY-KRWDZBQOSA-N 435.347 3.158 0 1 IGAF CCOC(=O)[C@]1(c2cnc(OC)nc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333207 BOCZTDCUWMTCFZ-WMZHIEFXSA-N 438.411 3.147 0 1 IGAF COC(=O)C(=O)C[C@]1(c2cc(C)on2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587351256 ZZHYVYQZZFQHBN-NFBKMPQASA-N 439.395 3.214 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C)C1)O2 587392993 ANPSTHCMSYTJRJ-MAXOOXIKSA-N 443.544 3.159 0 1 IGAF Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@H]1C(=O)Oc2cc(O)ccc2C1=O 587562722 JNKSNEZFZQLSPH-RBUKOAKNSA-N 443.415 3.000 0 1 IGAF CCOC(=O)C1(C(=O)OCC)CC2(C1)N[C@H](C)Cc1ccc(F)c(Br)c12 587798459 OLRUTWPPJMRZCU-LLVKDONJSA-N 428.298 3.224 0 1 IGAF Cc1ccc(N2CC[C@@H]3CN(CCCSc4nnc(-c5cnccn5)n4C)C[C@H]32)cc1 653723357 WXPNHKQJDJARLG-WIYYLYMNSA-N 435.601 3.273 0 1 IGAF C=CC(=O)N1CC[C@H](N=c2ccc(C(N)=O)c(Oc3ccc(Oc4ccccc4)cc3)[nH]2)C1 1857767930 MFATYZSMVUHWMA-KRWDZBQOSA-N 444.491 3.386 0 1 IGAF CC1=CC(=O)O[C@@H]1CC[C@]1(C)O[C@]2(CC(C)C)O[C@@H]3C[C@H](C)[C@@H]4C(=O)[C@@H]1[C@@]2(O)[C@@H](C)[C@H]43 2356401162 VGGDLZPNGMJOKK-TYRNNRNESA-N 432.557 3.407 0 1 IGAF CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)n1nc(C)n2c(cc3occc32)c1=O 8965077 JHEOCIZDQBCZBN-CJNGLKHVSA-N 436.468 3.150 0 1 IGAF COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C[C@@H]3CCCO3)CC(=O)N21 15954803 HKLGISQMVMYWNK-XUMWYHAOSA-N 445.519 3.040 0 1 IGAF biogenic Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4C[C@H](C)N[C@@H](C)C4)cc32)c(F)c1 26753268 CXSFFUFHKWSZFZ-KBPBESRZSA-N 427.451 3.462 0 1 IGAF CC(C)[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N21 26950108 JGYXFAVLGHCXQK-WFXMLNOXSA-N 425.529 3.239 0 1 IGAF OCCNCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12 28817117 OYULNTIUXDXAGV-UHFFFAOYSA-N 431.475 3.092 0 1 IGAF CN1CCC[C@@H](n2cc(S(=O)(=O)c3c(Cl)nc4sccn34)c3cccnc32)C1 38513721 USGWILIMLVFFGV-GFCCVEGCSA-N 435.962 3.498 0 1 IGAF Nc1ncc(-c2ccc(C(=O)NC[C@H]3CCNC3)cc2)nc1Oc1ccc2cc[nH]c2c1 45287890 UIQYGXADJQWKAB-HNNXBMFYSA-N 428.496 3.339 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CN(Cc2cccc(F)c2)C1 95666071 CTYGJNYXVZWFLR-QFIPXVFZSA-N 449.526 3.355 0 1 IGAF O=C(Cc1ccccc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 95893796 DBXXTOOOPQPQGK-CLCZQPDDSA-N 426.516 3.174 0 1 IGAF Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Cc1cnccc1[C@@H]1CC[C@H](O)[C@@H](N)C1 96177747 JCNURAMKZQTKGE-XFPJRNFQSA-N 438.478 3.385 0 1 IGAF O=C(NC[C@H]1CN(c2ccc3c(c2)OCc2nccn2-3)C(=O)O1)c1ccc(Cl)s1 113086173 IVDILMMHQWFRRE-LBPRGKRZSA-N 430.873 3.235 0 1 IGAF Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CCNCC2 115014325 YZQWAUZVKUVSLH-UHFFFAOYSA-N 439.441 3.493 0 1 IGAF COc1cc(OC)c([C@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccc(F)cc2)[nH]n1 169339833 LFGATCGYVQHAHD-MAUKXSAKSA-N 427.476 3.386 0 1 IGAF O=C(Nc1cnccc1C(=O)N1CCCC1)c1nc(C2CC2)ccc1Nc1cncnc1 169701675 UZYSPHDFZZFZPA-UHFFFAOYSA-N 429.484 3.376 0 1 IGAF Oc1nc(O)c2cc(CCN3CCN(c4ccccn4)CC3)c(-c3ccc(F)cc3)nc2n1 587370433 WSRJVWLTTGFEAM-UHFFFAOYSA-N 446.486 3.002 0 1 IGAF CCOC(=O)C[C@]1(CNC(=O)OCc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428203 IJUJRSJVSOUVSS-HOYKHHGWSA-N 439.464 3.061 0 1 IGAF C=CN1CC[C@H]([C@@]2(c3cc(OC)cc(OC)c3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)C1=O 587435328 FJOZWZRVFKCYPF-WZOHSFFVSA-N 435.476 3.347 0 1 IGAF CCOC(=O)C[C@@]1(C(OCC)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591897 FMVZONNRGFFCGS-AUSIDOKSSA-N 430.453 3.445 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C=C2\NC(=O)CS2)(c2cccnc2)N1 587858253 POJHKSSJXBJSFB-RAEZNYBXSA-N 434.334 3.465 0 1 IGAF CC(C)c1nn(C)c2c1[C@]([C@@H]1CCN(C(=O)OC(C)(C)C)CC1=O)(C(F)(F)F)NCC2 962914144 CLVYTIGZQHLTIQ-ZUOKHONESA-N 444.498 3.273 0 1 IGAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@]5(CCNC5)C4)cc3)sc2n1 1857581479 QQZKPZMXTUQJLK-DEOSSOPVSA-N 435.597 3.349 0 1 IGAF O[C@@H]1[C@@H](NCc2c[nH]c3ccccc23)[C@H]2CO[C@@H](O2)[C@@H]1N1CCC(Cc2ccccc2)CC1 2356301566 MDSXLKYRMNOMNR-NTYGKXENSA-N 447.579 3.065 0 1 IGAF CCO[C@H]1OC(C(=O)N2CCN(C)CC2)=C[C@@H](c2csc3ccccc23)[C@@H]1CCCO 13656863 SYQRGPGMLHBYGB-GLDPYIMESA-N 444.597 3.424 0 3 IGAF O=C(c1csc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)n1)N1CCOCC1 205219197 RDXDRWHEACPXHX-UHFFFAOYSA-N 440.447 3.077 0 3 IGAF O=C(NCc1ccc(F)cc1)[C@@H]1[C@@H]2C(=O)N(Cc3ccccc3Cl)C[C@]23C=C[C@H]1O3 9673057 BDICFONTWMELFH-VLVHOKLOSA-N 426.875 3.078 0 1 IGAF COc1cc2c(c(OC)c1OC)C[C@@H]1COC(=O)[C@H]1Cc1c-2cc(OC)c(OC)c1OC 14715078 ZSPMNJCSHBZQPT-OLZOCXBDSA-N 444.480 3.293 0 1 IGAF biogenic CCNC[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccccc4)c3c2F)C1 25963202 JFFJIAZEFCOBMB-AWEZNQCLSA-N 427.451 3.403 0 1 IGAF CCOC(=O)CNC(=O)[C@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@H]1N2Cc1ccccc1 27436650 LFOIYLDRFZIQIX-GKJHBJHPSA-N 427.932 3.161 0 1 IGAF O=C(OCc1ccccc1)[C@@H]1CC[C@H]2[C@H]1CC(=O)N2S(=O)(=O)/C=C/c1ccccc1 27518108 MJZSGIMAFAFHOR-XOULLUGXSA-N 425.506 3.358 0 1 IGAF C[C@@H]([C@H](O)c1ccc2c(c1)CCC(=O)N2)N1CCC(O)(c2ccc3c(c2)COCC3)CC1 28952095 XYESQXUVTLGLPS-GKVSMKOHSA-N 436.552 3.050 0 1 IGAF CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccc5c(c4)OCO5)c(C)c23)c1 72177540 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IGAF CN(C)S(=O)(=O)CCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586932174 VOKFCROOTVAANT-UHFFFAOYSA-N 440.447 3.268 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599231 DHSSFFDJDXTNDE-OFVILXPXSA-N 448.427 3.390 0 1 IGAF CCOC(=O)[C@]1(CC(N)=O)CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587745629 GELIEYFHUSSAIF-TVNIXMEMSA-N 441.341 3.317 0 1 IGAF Cc1cccc([C@@]2(CS(C)(=O)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587852278 ZMTJKYZJXPIOBE-KPZWWZAWSA-N 427.339 3.114 0 1 IGAF COC(=O)C(C(=O)OC)c1cc(OC)n(-c2ccc(O)c(-c3ccccc3)c2)c1OC 587925057 DXHKBNFYTHWGQB-UHFFFAOYSA-N 425.437 3.297 0 1 IGAF COc1cc(-c2ccc3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3n2)ccc1O 653751495 ALWZBBYENDJVJY-UHFFFAOYSA-N 431.496 3.069 0 1 IGAF COc1cc(OC)cc(C(=O)Nc2nc(-c3ccccn3)c(N3CCN(C)CC3)s2)c1 1857600175 XIXFQZJLSGBHRU-UHFFFAOYSA-N 439.541 3.226 0 1 IGAF Cn1c([C@H](CCCNC(=N)CF)NC(=O)c2ccccc2C(=O)O)nc2ccccc21 1857756359 HLPYZCISEQHNAY-KRWDZBQOSA-N 425.464 3.059 0 1 IGAF Cn1cccc1C(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(C=Cc4ccccc4)cc3C(=O)N2C1 2356315977 SLCBWGVGVVUKJJ-CVDCTZTESA-N 440.503 3.161 0 1 IGAF CCOC(=O)c1cc2c(c(-c3ccccc3)n1)[C@H](CCO)N(S(=O)(=O)C(C)(C)C)C2 61943318 HQWNYLANZZFTSP-SFHVURJKSA-N 432.542 3.293 0 3 IGAF CCOC(=O)C1=C(c2ccccc2)Nc2nnnn2[C@@H]1c1ccc(Br)cc1 950991 IAGOHWZLUKLLKD-QGZVFWFLSA-N 426.274 3.425 0 1 IGAF CN(Cc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc2c3c(cccc13)C(=O)N2 13450171 DWTAJESQOVCLMA-UHFFFAOYSA-N 437.521 3.063 0 1 IGAF CC1(C)C=Cc2c(ccc3c4c([nH]c23)C(C)(C)[C@H]2C[C@@]35CCCN3C(=O)[C@]2(C4)NC5=O)O1 14856966 YCWBTRJVYADFLQ-IAIFEWERSA-N 431.536 3.436 0 1 IGAF Cc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@@H]2C(=O)NC[C@@H]2CCCO2)cc1 20069176 BWRUXSNWOZBRPG-ZCNNSNEGSA-N 435.553 3.308 0 1 IGAF CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(N3CCCC3)cc2)cc1)P(=O)(O)O 28643124 HTKNWYDCBWYORK-HXUWFJFHSA-N 438.486 3.392 0 1 IGAF C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)COc1cccc(C(=O)c2ccccc2)c1 40434552 PDIWSWUTUXPEGR-GXDHUFHOSA-N 442.297 3.469 0 1 IGAF COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 100272822 LGJORJHUCGZWEW-WOJBJXKFSA-N 436.489 3.312 0 1 IGAF O[C@@](CN1CCC(OCc2ccccc2F)CC1)(Cn1cncn1)c1ccc(F)cc1F 169323146 SIDDYGBTXYZSEN-QHCPKHFHSA-N 446.473 3.264 0 1 IGAF O=c1n(CCCCN2CCN(c3cccc(Br)c3)CC2)c(O)c2n1CCCC2 169716671 SKLLLPUWHJHWAI-UHFFFAOYSA-N 449.393 3.057 0 1 IGAF C[C@@H](CN1CCC2(CC1)C(=O)NC[C@H]2c1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1 198380514 CUBHHKRMIJNNFB-UWJYYQICSA-N 448.542 3.421 0 1 IGAF CC[C@H](C)C[C@H](C)C(=O)O[C@@]1(C)C(=O)c2c(cc(O)c3c2C[C@@H](O)C[C@H]3C)[C@](C)(O)C1=O 473101896 LCCGEVUWWBLMGC-KVAMKNMZSA-N 446.540 3.150 0 1 IGAF O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2cncnc2[nH]1)OCc1ccccc1 587203719 RYPVMVJLAFHEMI-GOSISDBHSA-N 431.452 3.454 0 1 IGAF CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3ccc(N)cc3s2)CC1 653803572 AZEICCGYZLLMMB-QGZVFWFLSA-N 440.602 3.248 0 1 IGAF COc1ccc2c(c1OC)[C@]1(CCCN(CCNC(=O)OC(C)(C)C)C1)N(C)[C@@H](C)C2 962568293 FFPSAVKYCHZCIE-BXKMTCNYSA-N 433.593 3.396 0 1 IGAF CC(=O)c1ccc2c(c1)[C@]1(C[C@H]3CCCN(C3)C1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962616706 AGAIOWCBWNJREP-AAORUROXSA-N 428.529 3.447 0 1 IGAF COc1cccc(OC)c1Cc1cc(C)nn(CC(=O)Nc2ccc(Cl)cc2)c1=O 1857575106 QZXNEBXLWBNQTM-UHFFFAOYSA-N 427.888 3.452 0 1 IGAF O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1CN(Cc2ccc(Br)nc2)c2ccccc2O1 1857638334 PYJRFKCKHAGXAT-VDZJLULYSA-N 446.345 3.031 0 1 IGAF CCCCc1nnc2c(NC(=O)OCC)cc(-c3ccc(C)c(NS(C)(=O)=O)c3)nn12 1911572902 DBVIUZJOKVYKNR-UHFFFAOYSA-N 446.533 3.382 0 1 IGAF Cc1c2cnn(CC(=O)NCCCN3CCCC[C@@H]3C)c(=O)c2c(C)n1Cc1ccccc1 8965389 PGFIKVNLZZNKPS-IBGZPJMESA-N 449.599 3.244 0 3 IGAF Cc1nn(CCCC(=O)NCCc2ccccc2)c(=O)c2nn(-c3ccccc3)c(C)c12 15943034 RXPCHQNHHKFIBL-UHFFFAOYSA-N 429.524 3.338 0 3 IGAF COc1cccc([C@@H]2CN3C(=O)CN(C4CC4)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)c1OC 2136807 HMWQBUPTQYVTNM-HFJWLAOPSA-N 445.519 3.379 0 1 IGAF biogenic COCCCNC(=O)c1sc2ncnc(N3CCN(c4ccccc4)CC3)c2c1C 2931405 DDHPOGGNSOFCFC-UHFFFAOYSA-N 425.558 3.093 0 1 IGAF CCN(CC)CCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)cc1OC 4296179 KYROUZKORBPBOT-JTHBVZDNSA-N 425.529 3.254 0 1 IGAF CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O 13678826 XKJVLEUGGMTMES-UHFFFAOYSA-N 432.480 3.123 0 1 IGAF Cc1c(C(=O)[C@@H]2CS[C@H](c3cccnc3)N2)c2ccccc2n1C(=O)N1CCOCC1 13737525 YJSCNSZVHGNBAU-PGRDOPGGSA-N 436.537 3.232 0 1 IGAF CC(C)[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)Nc1cccc(Cl)c1 16042579 CNOURMPNACFXJB-VWKPWSFCSA-N 442.947 3.294 0 1 IGAF biogenic O=C(c1ccc(F)cc1)N1CCO[C@@H]2C[C@@H](O)[C@H](N3CCC(c4ccccc4)CC3)C[C@H]21 73312858 PILVQYHTDSKTBX-ZGFBMJKBSA-N 438.543 3.438 0 1 IGAF O=C(NCc1ccc(F)cc1)c1c(C(F)(F)F)nn(-c2ccc(F)cc2)c(=O)c1O 84710082 WMQNWHSKKFLXLP-UHFFFAOYSA-N 425.313 3.165 0 1 IGAF CC(C)c1cc2c(-c3ccc(S(=O)(=O)NC4CCS(=O)(=O)CC4)cc3)ccnc2[nH]1 95556783 QBYYCHRRPPTEBG-UHFFFAOYSA-N 447.582 3.209 0 1 IGAF in-vitro O=C(Nc1ccccc1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO 95797341 VXOIHSRQZAPVKT-AGHHOFFYSA-N 439.491 3.205 0 1 IGAF O=C(C[C@@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 95867996 WWBREHKQUAGTED-RBZQAINGSA-N 443.503 3.192 0 1 IGAF CC(C)=C[C@H]1O[C@@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@@]3(O)[C@@H](C)CC[C@H]3[C@H](C)[C@]12O 143397559 UFFWLVBPDWIHBR-LEZZJNMPSA-N 432.557 3.105 0 1 IGAF Cc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 146476461 XHPDYNCFOGPIPZ-JTQLQIEISA-N 433.427 3.339 0 1 IGAF Cc1nc(-c2cnc(N)nc2C(F)(F)F)cc([C@H]2CCN(C(=O)c3ccccc3)C2)n1 221281849 UUPKZABTIVGODI-AWEZNQCLSA-N 428.418 3.473 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3[nH]nc4ncccc34)c2)c2cncnc21 221759196 JRXOZFLFAIDJFJ-UHFFFAOYSA-N 426.440 3.162 0 1 IGAF Oc1nc(NCc2ccccc2)c2nc(-c3cncc(I)c3)nc-2[nH]1 587185014 OSRBESLGTHGSRI-UHFFFAOYSA-N 444.236 3.289 0 1 IGAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc3c(c1)OCCO3)CC2=O 587494133 XHKDHCBQUFSBQF-XMMPIXPASA-N 440.448 3.109 0 1 IGAF CCOc1ccc(-c2nn(C(=S)NCCOC)c(=O)c3ccccc23)cc1OCC 587672028 XAAZFUBEUCKUBI-UHFFFAOYSA-N 427.526 3.230 0 1 IGAF O=C(N1CCC(N2C[C@H](c3ccc(F)cc3)[C@H]2c2ccc3c(c2)OCO3)CC1)n1cncn1 653736000 IWSLFABPEBZJJD-NFBKMPQASA-N 449.486 3.419 0 1 IGAF CCOC(=O)[C@]1(c2ccc(OC)cc2OC)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962625529 JEUIUPYMGZZWQR-MYYSRTQBSA-N 429.513 3.404 0 1 IGAF COc1cccc2c3c(cnc12)CCNC31CCN(c2ncc(Br)cn2)CC1 963029459 CRBFRSKNGZOXNK-UHFFFAOYSA-N 440.345 3.437 0 1 IGAF Cc1cc(C(N)=O)c(-c2cccc(OC(=O)NCCN3CCN(c4ccccc4)CC3)c2)o1 1857570294 IPVZGUMYDUWBRS-UHFFFAOYSA-N 448.523 3.265 0 1 IGAF CCOC(=O)CNCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 1857602248 QADVEDPPSVAKSJ-UHFFFAOYSA-N 444.582 3.152 0 1 IGAF Fc1ccccc1Cn1c(Cn2cnc3c(N4CCOCC4)ncnc32)nc2ccccc21 1857757209 JLSSMHYXKUCZKP-UHFFFAOYSA-N 443.486 3.248 0 1 IGAF COc1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@H](CCN(C)CCc3ccccn3)C2)cc1 2356380334 BDQQCCKUPDWVKU-LEWJYISDSA-N 439.556 3.208 0 1 IGAF CC(=CCO)CC[C@@H]1[C@](C)(O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)CC[C@H]2C(C)(C)CCC[C@]21C 2356568499 MMJYNAIFRKURTQ-SNLWOGJTSA-N 440.621 3.162 0 1 IGAF CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccccc1F 13086228 JZOPEMBVMHINIY-IFXJQAMLSA-N 429.517 3.489 0 3 IGAF COc1cc(Nc2nccc(-c3ccc(N4CCN[C@@H](C)C4)nc3)n2)cc(OC)c1OC 3828777 GIOJCQJQBGTVBI-HNNXBMFYSA-N 436.516 3.106 0 1 IGAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC 4296990 DKMBSKXNNVIXPU-VMRPVKRXSA-N 432.904 3.336 0 1 IGAF CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccccc3Cl)ccc21 8595305 IOTMHILONJOUSD-UHFFFAOYSA-N 434.945 3.119 0 1 IGAF COc1cc(C[C@@H]2C(=O)OC[C@@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1OC 14437776 AIIBKXWZZGYRAR-HOTGVXAUSA-N 430.453 3.024 0 1 IGAF biogenic O=C(Nc1cccc2c(S(=O)(=O)c3cccc4ccccc34)n[nH]c12)[C@H]1CCCNC1 35277692 YOAQEPCUBHMMFC-INIZCTEOSA-N 434.521 3.487 0 1 IGAF CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(F)c(C)c1 101135393 POWWYPHZCLIFJG-INIZCTEOSA-N 425.460 3.444 0 1 IGAF CO[C@@H](C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1)C(C)C 147705370 IWGVABNVNOQFPY-ZRCGQRJVSA-N 445.604 3.273 0 1 IGAF O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)NC[C@@H]1CCCN1)C21CC1 168538559 RHPAZATYVIIADQ-ZWJWXYIHSA-N 444.373 3.084 0 1 IGAF COc1cc(OC)cc(C(=O)N2CC(C(=O)NCCc3cccc4ccc(OC)cc34)C2)c1 169351173 IVGTTZOTYZESRQ-UHFFFAOYSA-N 448.519 3.297 0 1 IGAF COC(=O)c1ccc(NC(=O)Cc2c(O)n(-c3ccc(C)cc3)c(=O)n2CC(C)C)cc1 169686786 TZAVFDQJRQJMPH-UHFFFAOYSA-N 437.496 3.277 0 1 IGAF O=C(NCCCNC(=O)c1cc(Br)ccc1O)c1cc(-c2ccccc2)on1 201711390 YUMCVQWRHSZZTD-UHFFFAOYSA-N 444.285 3.360 0 1 IGAF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3c(Cl)ccnc3[nH]2)c1 586950757 CHXVYOQHDOTBID-UHFFFAOYSA-N 427.711 3.482 0 1 IGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 586965192 TVQOTWBJVDLSSO-UHFFFAOYSA-N 445.936 3.460 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC(=O)N(c3cccc(C(F)(F)F)c3)N=C1C(=O)O)O2 587382739 RQFJDTIGCRVSHT-FQEVSTJZSA-N 447.369 3.178 0 1 IGAF CCCc1c(O)ccc2c1O[C@](CF)([C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CC2=O 587466554 OOXMKTOBBLWLPG-HTAPYJJXSA-N 439.480 3.475 0 1 IGAF COc1nc(N)nc(N2CCCC2)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587768714 VXHZPZIJRFACBK-HWPZZCPQSA-N 436.329 3.193 0 1 IGAF NC(=O)C1CC2(C1)c1[nH]c3ccccc3c1C[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1 963020790 NONCALNHEOUGLA-XJCQOYGMSA-N 437.883 3.064 0 1 IGAF CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)C(F)(F)CN(C)C)c1O 1772652433 PKRCLNSGCJCCMS-GFCCVEGCSA-N 437.896 3.204 0 1 IGAF CN1C(=O)S/C(=C\c2cc(OCc3cc[nH]c(=N)c3)c(O)cc2Br)C1=O 1857543876 WRMBSUABYMTNHV-NSIKDUERSA-N 436.287 3.207 0 1 IGAF COCCC[C@@H]1Oc2ccc(OC)cc2[C@H](O)[C@@H]1[C@@H]1COc2ccc(OC)cc2[C@H]1O 2356440501 DMYFUDDBZJBVLC-UYVZPMHFSA-N 430.497 3.283 0 1 IGAF Cc1cc(=O)n([C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c2c1c(C)nn2-c1ccccc1 9645322 HSHIRSYICOEBBH-KRWDZBQOSA-N 444.491 3.410 0 1 IGAF CCCC[C@@]1(C(=O)OCC)N[C@H](c2ccc(O)cc2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 19502187 BZTWKTRXVDPWHM-UWHHFBIGSA-N 436.508 3.334 0 1 IGAF CCN1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)Nc1ccccc1)[C@@H]2CO 95879483 YMDGHPQKZAVTPA-AZOUXBGGSA-N 429.520 3.138 0 1 IGAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@H](C)c3ccccc3)[C@@H]2N1CC1CC1 95880229 HWDXJZFTBKIHHT-NXWMAWTISA-N 447.579 3.132 0 1 IGAF Cc1ccc(C(=O)N2C[C@H]3CNC[C@H](C2)O3)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 101787040 XYNNEMHCLNODBL-PSVYDJGESA-N 437.584 3.353 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 104639076 PHKJZWLSXPBGNC-CTUHWIOQSA-N 438.568 3.179 0 1 IGAF Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC[C@@](C)(N)CC1 169699458 GONYHJQSOXLCTM-OAQYLSRUSA-N 443.552 3.225 0 1 IGAF O=c1nc(OC[C@H]2CCCO2)cc2n1CCc1cc(OCCOc3ccccc3)ccc1-2 209703247 MJRBGFMSZOVKPD-OAQYLSRUSA-N 434.492 3.482 0 1 IGAF C[C@@H](Nc1cccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1)C1CCOCC1 217060573 LWKMKLFQRMXXAY-CLOONOSVSA-N 437.584 3.063 0 1 IGAF CC(=O)OC/C(=C\CC/C(=C\CO)CO)CC/C=C(/CC/C=C(\C)CO)COC(C)=O 238780605 FMYIRFBIXBPEGS-DXDOXGPKSA-N 438.561 3.156 0 1 IGAF COc1ccccc1N1CCN(C[C@H]2COC3(CCN(Cc4ccccc4)CC3)O2)CC1 299835784 LRLMUKKGKWCSTQ-QHCPKHFHSA-N 437.584 3.225 0 1 IGAF CN1CCC2(CC1)C[C@H](N1CCC3(CC1)C(=O)NCN3c1ccccc1)c1ccccc1O2 473126702 ULLMPZYUKITVGP-QHCPKHFHSA-N 446.595 3.403 0 1 IGAF CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(Nc3cc(C)nn3C)nc21 473134045 BIAKCAIUXMWBPY-UHFFFAOYSA-N 432.532 3.495 0 1 IGAF CC(=O)OCCN(CCOC(C)=O)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587388275 ZMXJKCAANWETTD-HSZRJFAPSA-N 440.496 3.216 0 1 IGAF C[C@]1(Cn2c(=O)oc(=O)c3ccccc32)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588774 SBIITVMLUJSPIZ-YADARESESA-N 431.400 3.081 0 1 IGAF CCOC(=O)CN1C(=O)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587773232 XUFMHVNMRPNXFK-QKVFXAPYSA-N 447.304 3.276 0 1 IGAF COC(=O)[C@H](C[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21)N=O 587776845 YQCBBEYLGSWLJN-RDBACFOTSA-N 436.281 3.459 0 1 IGAF C=CC(=O)N(C)C[C@H]1CCNc2c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn21 1772625674 FUXMCFCWNGCXDD-QGZVFWFLSA-N 431.496 3.442 0 1 IGAF COC1CCN(c2nc(O)c(-c3nc4ccccc4s3)c(N[C@@H]3CCCNC3)n2)CC1 1772626335 XWKGXWPDYNPGQA-CQSZACIVSA-N 440.573 3.238 0 1 IGAF Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2ccc(C(=N)N)cc2)C2CCCCC2)cc1 1857636853 PBUFMZMUQKRGQZ-FQEVSTJZSA-N 428.558 3.145 0 1 IGAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2cccc3scnc23)CC1 1857654620 JPIZEYQLWAJSNQ-BTYSMDAFSA-N 436.581 3.006 0 1 IGAF O=c1ccnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4F)c3)cn12 1857764211 PIJWJUDLEGVDMY-UHFFFAOYSA-N 448.838 3.489 0 1 IGAF CC1=C[C@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCOCC1 2356315869 OFASEQUHJPVEQB-VWPQPMDRSA-N 434.602 3.068 0 1 IGAF COc1ccc(NC(=O)CSc2nc(O)c3cnn(-c4ccc(F)cc4)c3n2)cc1 2457634 ZXFBOPHJOLHTKS-UHFFFAOYSA-N 425.445 3.400 0 1 IGAF Cc1oc(-c2ccccc2NC(=O)c2ccccc2)nc1CNC(=O)[C@@H]1CSC(=O)N1 12150661 OUMWZNVUTYWTNU-SFHVURJKSA-N 436.493 3.344 0 1 IGAF Cc1c(S(=O)(=O)Nc2ccc(C=O)cc2S(C)(=O)=O)sc2ccc(F)cc12 13587583 IEDZVQZMBKBDGW-UHFFFAOYSA-N 427.500 3.366 0 1 IGAF COc1cc(C[C@@H](COC(C)=O)[C@@H](COC(C)=O)Cc2ccc3c(c2)OCO3)ccc1O 14437659 OHTVIXMKRHHBBH-VQTJNVASSA-N 444.480 3.273 0 1 IGAF biogenic COc1cc([C@H](O)[C@@H](C)Oc2c(OC)cc(/C=C\CO)cc2OC)cc(OC)c1OC 14611834 QHYPOKHWZKVCEW-SCQDKCEXSA-N 434.485 3.236 0 1 IGAF endogenous,in-man CC(C)(O)[C@H]1Cc2cc(-c3coc4cc5c(c(O)c4c3=O)C[C@H](C(C)(C)O)O5)ccc2O1 38991864 IKQKRLWGUMCUMA-WOJBJXKFSA-N 438.476 3.314 0 1 IGAF biogenic Cc1ccccc1[C@@H]1CCc2c(C(=O)NCC[S@@](C)=O)cc3c(nc(C)n3C)c2O1 49089042 YSWMLQAQLGTDOK-WRGVRERRSA-N 425.554 3.365 0 1 IGAF CCC(CC)O[C@@H]1C[C@@H](C(=O)O)C=C(n2cc(CCc3ccccc3)nn2)[C@H]1NC(C)=O 64526932 LPDGAXHDUXJNCT-CDNPAEQRSA-N 440.544 3.087 0 1 IGAF O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2)c1ccccc1OC(F)F 95561863 ABPNWDCSONFZFL-UHFFFAOYSA-N 438.452 3.147 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(C(=O)c2ccc(F)cc2)CC1 95796499 QQXVFLACFWUXCU-FQEVSTJZSA-N 437.515 3.137 0 1 IGAF CC1=Nc2ccnn2[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1 169722962 OOADVIIECQPAAP-XIRDDKMYSA-N 445.314 3.378 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C)ncc3Br)C2)cc1 261133205 LOKRDVCJVPAQSO-SUMWQHHRSA-N 448.365 3.160 0 1 IGAF CN1CCN(c2ccc(Nc3ncc(Br)c(NC[C@H]4CCCO4)n3)cc2)CC1 299851760 JLTSNIOKQHWJQS-QGZVFWFLSA-N 447.381 3.325 0 1 IGAF COC(=O)c1ccnc2[nH]c([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)nc12 587239934 OYCZTKSGMVOVOF-QOAZOABKSA-N 430.505 3.300 0 1 IGAF COc1cc2c3c(c1)O[C@]1(C(=O)c4c(O)cc(O)cc4O[C@H]1c1ccc(O)cc1)[C@@H](C2)C3=O 587455048 IEQYXHFPLNXPEF-BBBIZMJLSA-N 446.411 3.315 0 1 IGAF Cc1ccccc1[S@](=O)C1CCN(c2ccc(C(=O)NCc3ccccc3)nn2)CC1 1772601476 LRLBTTMLCQKVCS-WJOKGBTCSA-N 434.565 3.492 0 1 IGAF CCCCN=c1[nH]c2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)N3CCOCC3)[C@H](O)[C@@H]1[C@@H]2C 2356315998 UGPFCDZUYKBHID-XKHYVITISA-N 449.661 3.325 0 1 IGAF O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1cccc(F)c1 95603377 OWCSYIOKNKVFDI-QFIPXVFZSA-N 443.438 3.318 0 3 IGAF C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)[C@@H]1C 20558073 CRQWDUKRSXCEAN-QINHECLXSA-N 441.553 3.023 0 1 IGAF C[C@@H](Oc1cccc2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)c12)C(N)=O 29041305 RGTLKPMCFJUHDZ-OAHLLOKOSA-N 439.479 3.419 0 1 IGAF COc1ccc(-c2cc(C(=O)N[C@H]3CCCCNC3=O)n3nc(C(C)(C)C)cc3n2)cc1 34833524 ZMKKHNFRFYVGBA-KRWDZBQOSA-N 435.528 3.101 0 1 IGAF CCC[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNC(C)C)cn1 38254635 DLEUNUNOIADUGD-IBGZPJMESA-N 449.546 3.361 0 1 IGAF O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1cc2ccccc2s1 40896795 WFSVIFFWDRTKKQ-UHFFFAOYSA-N 434.565 3.060 0 1 IGAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C[C@H](O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 45495148 RIJQQQOGGXBOKH-FSSPHFRTSA-N 439.574 3.054 0 1 IGAF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(C(=O)CNc2ccccc2N)c2ccccc12 73220128 AYLLPGXNIUFCIM-JOCHJYFZSA-N 447.495 3.167 0 1 IGAF COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)CCN3)c1 82204549 RYIQDGLSHQMZHE-UHFFFAOYSA-N 447.322 3.411 0 1 IGAF CCOc1ccc(Nc2ncnc3cc4oc(=O)n(CCCN5CCOCC5)c4cc23)cc1 84710301 IVYMBPMGUJIIIK-UHFFFAOYSA-N 449.511 3.402 0 1 IGAF O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCN(c2ccc(F)cc2)CC1 169196378 UEMNDGOVXHPBJR-UHFFFAOYSA-N 446.526 3.341 0 1 IGAF Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4c(n3)CCC4)nn(C)c2=O)c(C)n1 218525798 SKICPCSDIPQKPP-UXHICEINSA-N 431.540 3.470 0 1 IGAF Nc1nn2cccnc2c1C(=O)NCc1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 219870394 FKLKDNDVFASNQN-UHFFFAOYSA-N 444.882 3.199 0 1 IGAF Cc1ccc(F)cc1-c1cnc([C@H](C)Nc2nccc(N3C(=O)OC[C@@H]3[C@@H](C)O)n2)nc1 221662461 DBKNSMNYFOEUNI-PMUMKWKESA-N 438.463 3.260 0 1 IGAF c1ccc(Cn2c(SCc3nc4ccc(-n5cnnn5)cc4[nH]3)nnc2C2CC2)cc1 586966240 KKTIMEQUECZICK-UHFFFAOYSA-N 429.513 3.348 0 1 IGAF CCOC(=O)C1=C(C)NC2=C(c3nc4nc(O)nc(O)c4cc3CC2)[C@H]1c1ccccc1 587554311 HVXJGWIWLOPPQD-SFHVURJKSA-N 430.464 3.317 0 1 IGAF C[C@H]1CCc2cc3c(O)nc(O)nc3nc2CCCCCc2cc(O)cc(O)c2C(=O)O1 587563334 RHITWINXOXSGCD-LBPRGKRZSA-N 439.468 3.294 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cnn(Cc2ccccc2)c1N 587869392 HTHPFLNQBCPJJF-UHFFFAOYSA-N 442.401 3.488 0 1 IGAF CCN1C(=O)c2cccc3c(S(=O)(=O)N[C@H]4CCN(C(=O)OC(C)(C)C)C4)ccc1c23 653733679 GDJLUVGLDOEVCC-AWEZNQCLSA-N 445.541 3.108 0 1 IGAF COC(=O)C(=O)C[C@]1(c2cn(C)c3ccccc23)NCCc2cc3cccc(OC)c3nc21 963033898 KOVALGNSRODKIY-AREMUKBSSA-N 443.503 3.257 0 1 IGAF O=C1c2cnccc2[C@]2(N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c2c(F)ccc(F)c21 963223382 ALIDILHQLJBQFB-NBGIEHNGSA-N 443.409 3.343 0 1 IGAF CS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(CN)s2)cc1-c1ccc(F)cc1 1857614489 ZXGMIVJVCQDCMV-UHFFFAOYSA-N 425.528 3.249 0 1 IGAF CC(=O)O[C@H]1C[C@@H](C)[C@@](C)(C[C@@H](OC(C)=O)C2=CC(=O)OC2)[C@H]2CCC=C(C)C[C@]12O 2356472059 KBSIJJNXWPDPEA-OMZRZULQSA-N 434.529 3.247 0 1 IGAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](CO)C(=O)OC 2356734186 XDFZRFBIZJREOQ-MHTWAQMVSA-N 439.593 3.070 0 1 IGAF COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)cc2OC)cc1 1795546 ZOFFNDGMQVFDHY-FGZHOGPDSA-N 449.459 3.457 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2ccco2)C1 4202214 BUVVNLIQBXKVHL-RTWAWAEBSA-N 427.545 3.322 0 1 IGAF O=C(CSc1ccc(-c2ccc3c(c2)OCO3)nn1)N1CCN(c2ccccc2)CC1 9519378 SUUDLSHNGHPWKA-UHFFFAOYSA-N 434.521 3.313 0 1 IGAF O=C(O)[C@@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1ccccc1Br 13807273 WFXQCDCLSNIHRG-HOCLYGCPSA-N 435.322 3.247 0 1 IGAF C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Oc4cccc(F)c4)CC3)cc2)CCN1 34850414 ZOBLQKIECISDQA-IBGZPJMESA-N 425.548 3.232 0 1 IGAF Cc1cnc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2F)s1 43200595 NOLJFJNOWXBGKG-NSHDSACASA-N 434.476 3.063 0 1 IGAF CNc1ccc2c(O[C@@H](C)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cccc2n1 45299117 PZGGIQGQXRBYTL-MSOLQXFVSA-N 432.524 3.417 0 1 IGAF O=C(NC1CCCCC1)c1cccc(CN2CCN(C(=O)n3nnc4ccccc43)CC2)c1 95574301 REMFBSJNHDVKJY-UHFFFAOYSA-N 446.555 3.280 0 1 IGAF C[C@H](c1nc2nc(N3CCC[C@@H](C(=O)N4CCCC4)C3)ccc2[nH]1)n1cc(Cl)cn1 205304296 NOSUIOGIJKVTAO-HUUCEWRRSA-N 427.940 3.256 0 1 IGAF CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)c(C(=O)O)n2)c(F)c1 224758302 SSQNZWCCOJVWRU-UHFFFAOYSA-N 444.488 3.307 0 1 IGAF O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 299876518 FVIUAAZRWXIEGY-NSHGMRRFSA-N 429.879 3.356 0 1 IGAF NC(=O)Cc1ccc(NC(=O)Cn2c3c(c4cc(Cl)ccc42)CC[C@@H](C(=O)O)C3)cc1 473133996 AKHYHZLJFYSVFO-CQSZACIVSA-N 439.899 3.151 0 1 IGAF CCOC(=O)Cc1ccc2nc([C@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2c1 586936378 MCPWEHHWCDDAIH-SFHVURJKSA-N 447.582 3.441 0 1 IGAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3cc(Br)ccc3[nH]2)cc1 586946258 IFDRXPREZFYPAL-CQSZACIVSA-N 436.331 3.450 0 1 IGAF O=S(=O)(c1ccc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c1)N1CCOCC1 587020745 ARASRCZEDMNEOU-UHFFFAOYSA-N 440.550 3.298 0 1 IGAF COC(=O)c1cc2[nH]c([C@@H](C)n3ncc(I)c3C)nc2cc1OC 587183138 VYPQHIXYLGYPCU-SECBINFHSA-N 440.241 3.077 0 1 IGAF Cn1c(SCCCN2C[C@@H]3CCN(c4ccccc4F)[C@@H]3C2)nnc1-c1cnccn1 653728040 JRIJSUZYSFOPFI-OXJNMPFZSA-N 439.564 3.104 0 1 IGAF CNCCNC(=O)CN1C(=O)Cc2c([nH]c3ccc(C(F)(F)F)cc23)-c2ccccc21 653880689 VUGQPBZKOGGYCA-UHFFFAOYSA-N 430.430 3.078 0 1 IGAF Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3F)c2=O)nnn1-c1ccc(Cl)cc1 1772655898 SQLLXHARKNGURD-UHFFFAOYSA-N 440.866 3.418 0 1 IGAF COc1c(O)c2c3c(c(O)c(CC=C(C)C)c(C)c3c1OC)C(=O)[C@@](O)(CC(C)=O)C2=O 2356376280 PYRBNXCKHYFKKU-DEOSSOPVSA-N 442.464 3.175 0 1 IGAF C[C@]1(C(=O)NS(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1cccc2ccccc12 61895773 WASDRRWSGYXMFU-JOCHJYFZSA-N 426.469 3.089 0 3 IGAF CCN1C(SCC(=O)N2CCN(c3ccccc3)CC2)=NN/C1=C1\C=Nc2ccccc21 103918386 DVSCYAYYSGNPMX-ATJXCDBQSA-N 446.580 3.349 0 3 IGAF O=C(CNC(=O)c1ccccc1)O[C@H](C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 13831758 FCAHXJUFTOBKKG-QFIPXVFZSA-N 432.432 3.068 0 1 IGAF CC(C)OC[C@H](O)CN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 28119781 BNHVGZWYAQDQAN-GOSISDBHSA-N 435.952 3.108 0 1 IGAF COc1ccc(-c2nc3c(cc4c5c(cccc53)C(=O)N(CCN(C)C)C4=O)[nH]2)cc1O 28825864 LVZSCDVPRSLSLZ-UHFFFAOYSA-N 430.464 3.255 0 1 IGAF O=C(OCc1c(-c2ccccc2)no[n+]1[O-])c1ccccc1N1C(=O)c2ccccc2C1=O 95556171 DYGDFRSMSRRCRG-UHFFFAOYSA-N 441.399 3.133 0 1 IGAF CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)CC)[C@@H](C)CO2 95686839 CGCJCZBVFKVEDJ-XGHQBKJUSA-N 447.576 3.168 0 1 IGAF COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCCC1 95880013 JFRHLGBMXDPXSL-IQFVJIFQSA-N 436.552 3.232 0 1 IGAF NC(=O)c1cc(F)cc2c1C(=O)N(C1CCN(C3CCC(Cl)(Cl)CC3)CC1)C2 117413684 CXTSPYBVOJLLFL-UHFFFAOYSA-N 428.335 3.461 0 1 IGAF COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cnccn2)nc1OC 118427220 OJJNSRCTOROYOQ-UHFFFAOYSA-N 442.479 3.251 0 1 IGAF Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CC[C@@H](N)C6)cc5c4)n3c2)cn1 205070531 OBLFFFKSZZMQJH-GOSISDBHSA-N 442.552 3.367 0 1 IGAF Cc1cn([C@@H]2C=C[C@@H](CO[P@]3(=O)OCc4c(Cl)cccc4O3)O2)c(O)nc1=O 253636422 IMUOYDBGQMLQRT-DWPHXYGXSA-N 426.749 3.098 0 1 IGAF CCCCNc1ncc(-c2ncccc2CN2CCOCC2)c(N[C@H]2CC[C@H](O)CC2)n1 261095972 FKDZRIQJGKWTDB-MXVIHJGJSA-N 440.592 3.298 0 1 IGAF O=C(COc1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1)Nc1ccccc1F 587154499 QWNOYWJAGADFIP-UHFFFAOYSA-N 429.415 3.362 0 1 IGAF COc1cc2c3c(c1)O[C@]1(c4cccc(O)c4C(=O)c4c(O)cc(C(=O)O)cc41)[C@@H](C2)C3=O 587448245 BLIQMOVBSSWQMT-MQNRADLISA-N 444.395 3.040 0 1 IGAF CCOC(=O)C[C@@]1(C(OCC)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591929 FMVZONNRGFFCGS-WMZHIEFXSA-N 430.453 3.445 0 1 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O 4204592 QYBBOYVJOOSRBJ-KPFFTGBYSA-N 427.526 3.024 0 1 IGAF O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21 4971507 VQTABEWHQMHZNG-UHFFFAOYSA-N 431.602 3.015 0 1 IGAF CCn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccc(O)c(F)c2)n(CC)c1=O 13860289 UIOJQKMNQRYQJJ-UHFFFAOYSA-N 429.496 3.037 0 1 IGAF COc1cc(C[C@@H]2C(=O)OC[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1O 14437749 RSRURHUUEQLLQS-HOTGVXAUSA-N 432.469 3.010 0 1 IGAF biogenic O=S(=O)(N[C@H]1CN[C@H](COCc2ccc(Cl)cc2)C1)c1cccc2cnccc12 14958069 FWFZQDNRACYPBR-MOPGFXCFSA-N 431.945 3.114 0 1 IGAF CC(C)C[C@H](C(N)=O)N(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1 29129801 CIBGRKWVIVNYFE-QGZVFWFLSA-N 438.933 3.160 0 1 IGAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12NC[C@@H](CO)C[C@@H]2O 43194283 FBKQAVWTYDQPAB-HBDLFPIVSA-N 447.660 3.310 0 1 IGAF in-vitro CC(C)NCc1cn(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)nc1C(F)(F)F 64540287 WJSGSVHZTQIGQB-UHFFFAOYSA-N 443.495 3.078 0 1 IGAF CCOC(=O)[C@]1(C(=O)NCCc2cccc(F)c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95598291 FGYGZZYLVLLNNY-MHECFPHRSA-N 445.487 3.247 0 1 IGAF c1cc2cc(-c3cnc(-c4cc5ccc(C6=NCCN6)cc5[nH]4)cn3)[nH]c2cc1C1=NCCN1 103251406 VJLYBTSDFDKGIZ-UHFFFAOYSA-N 446.518 3.473 0 1 IGAF Cn1c2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)cc31)CCNCC2 115011277 UZIDFLCCYOHIQV-UHFFFAOYSA-N 436.987 3.411 0 1 IGAF Cc1cc(C)c(-c2[nH]c(CO)nc2C#N)cc1C(=O)N1CC(F)(c2ccc(C#N)cc2)C1 142698693 NMWHAPPRKRVPJF-UHFFFAOYSA-N 429.455 3.250 0 1 IGAF Cn1ncc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(F)cc34)CC2)c1C(F)(F)F 169351686 SMGBGMPOHKGIJY-UHFFFAOYSA-N 437.397 3.136 0 1 IGAF N#C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc(N)c2Br)CC1 219319105 DMBXRYJQQGGYHD-CYBMUJFWSA-N 441.255 3.227 0 1 IGAF O=C(CO)N1CCC(c2cc3c(-c4cncc(NCc5ccccc5)n4)ccnc3[nH]2)CC1 226085312 XFBRTKKQQDFLGR-UHFFFAOYSA-N 442.523 3.330 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@H](O)[C@@](/C=C/Cc4ccccc4)(CO)C[C@H]4[C@@H](C2)N(C)CC[C@]314 253978813 ZWVDVCFMIUCNEM-DEGOZVNESA-N 447.575 3.113 0 1 IGAF COc1cc2c3c(c1)O[C@]1(C[C@@H](C(=O)O)Oc4ccc(Br)cc41)[C@@H](C2)C3=O 587419166 SURUKRVPSNIXSX-RISOHXOYSA-N 431.238 3.336 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1ncc(Br)cc12 587684841 PXYJQHZCYMPDQS-HYORBCNSSA-N 441.098 3.476 0 1 IGAF COc1cccc(-c2cccc(-n3c(OC)c(CC(=O)O)c(CC(=O)O)c3OC)c2)c1 587926067 KINWWSJHDKMYCD-UHFFFAOYSA-N 425.437 3.424 0 1 IGAF COc1cc2c(cc1OC)C1([C@H]3CC[C@H]1CC(C(N)=O)C3)N(C(=O)c1ccccc1N)CC2 963143065 QZBWFIMKSUQUHW-AJOMPXIFSA-N 449.551 3.101 0 1 IGAF O=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCCC[C@@H]1Cc1ccccc1 1857607421 LALNQXBBSHPDLH-HSZRJFAPSA-N 449.599 3.153 0 1 IGAF Cc1cc2c(c([C@@H]3c4c(ccc(O)c4C=O)C[C@H]3C(C)(C)O)c1)O[C@@H](C(C)(C)O)CO2 2356326218 VKNKNPXXDILXOC-ZNLUXHQJSA-N 426.509 3.499 0 1 IGAF CO[C@@H]1C=CC=C(C)Cc2cc(O)cc(c2)NC(=O)C[C@H](O)C(C)=C[C@@H](C)[C@@H](O)CC1=O 2356483315 YGIOUPVSUFMGBC-DQAOFOOOSA-N 443.540 3.058 0 1 IGAF CC1=CC(=O)OC1=C[C@H](O)[C@](C)(O)CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356626632 FFAXSQPCILRGAU-FQCFJLTISA-N 436.589 3.230 0 1 IGAF CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@H]2N2C(=O)N(c3ccc(OC)cc3)C(=O)[C@]12C 15936691 OFLUTENOCTXOII-CWMLTSOLSA-N 436.464 3.165 0 3 IGAF CNC(=O)c1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1F 13759852 YHRQSPRSRROVMC-UHFFFAOYSA-N 429.290 3.011 0 1 IGAF in-vivo COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1)N(C(=O)C(=O)N1CCCC1)CC2 29124117 LKHHBJGPCCWJGU-NRFANRHFSA-N 428.916 3.454 0 1 IGAF C[C@@H]1CCN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C[C@@H]1N(C)c1ncnc2[nH]ccc12 66259008 IYAFKKGFYHLLJK-XVGQJIODSA-N 425.920 3.288 0 1 IGAF Cn1ccc(-c2cc(Nc3ccc(-n4cnc(N5CCOCC5)n4)cc3)ncc2Cl)n1 71331038 RAZZHBHHDDHDAR-UHFFFAOYSA-N 436.907 3.296 0 1 IGAF CC(C)[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NCCCN1CCCC1 82082462 NBOYGSANLJLQDQ-LJQANCHMSA-N 429.590 3.243 0 1 IGAF CC[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 82228001 JKWABFDKNRZRGM-LBPRGKRZSA-N 449.294 3.415 0 1 IGAF COC(CNC(=O)c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1)OC 84759158 NIIYCBQTFJYLLD-UHFFFAOYSA-N 443.481 3.106 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2OC[C@@H](C)NC[C@@H]1C 95692356 WWIWLTDSUPVNED-GSHUGGBRSA-N 431.577 3.299 0 1 IGAF O=C(c1cccnc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 95893374 IAPUXUNBKXCJPI-FDFHNCONSA-N 432.455 3.242 0 1 IGAF C[C@@H](Nc1c(Nc2ccnc(Nc3cccc(C(N)=O)c3)c2)c(=O)c1=O)c1ccccc1 100081290 MIBQVKWORSUIKS-CQSZACIVSA-N 427.464 3.437 0 1 IGAF Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@]4(CN)CCc5cc(F)ccc54)ncc23)ccn1 219762218 YARPDYKLNGSZDO-HSZRJFAPSA-N 431.475 3.389 0 1 IGAF CC1=C[C@]2(CC(=O)N1[C@@H](C)C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587344066 VWNDZGHRPIIWDX-BNXMZRKRSA-N 425.412 3.238 0 1 IGAF CSc1ncc([C@@]2(C)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c(C)n1 963133736 CCWRUOSMSHNPGD-DJJJIMSYSA-N 436.559 3.473 0 1 IGAF NCCCC[C@@H]1NC(c2ccc(Br)cc2)=Nc2nc3ccccn3c2C1=O 1772600701 VNCZERRQASLJJQ-HNNXBMFYSA-N 426.318 3.459 0 1 IGAF CCC(=O)N1Cc2cc(C(=O)N(C)C)nc(-c3cccc(-c4cncnc4)c3)c2[C@@H]1CCO 95601994 YAJZZTSJZGKQMS-NRFANRHFSA-N 445.523 3.083 0 3 IGAF COc1ccc(OC)c(CN2C(=O)c3ccccc3[C@H]2c2nnnn2Cc2ccccc2)c1 95602065 IAVUQTKKYVDCPM-QHCPKHFHSA-N 441.491 3.484 0 3 IGAF COc1cc2c(c(OC)c1OC)C[C@@H]1C(=O)OC[C@@H]1Cc1c-2cc(OC)c(OC)c1OC 14715080 ZSPMNJCSHBZQPT-STQMWFEESA-N 444.480 3.293 0 1 IGAF biogenic COc1ccc(Br)cc1C1=N[C@@H](CN2CCN(c3ccccc3)CC2)CO1 26572361 LKDKZDZBTSCLCY-KRWDZBQOSA-N 430.346 3.425 0 1 IGAF COc1ccc(OC)c2c1C=C1[C@H]3c4c(OC)ccc(OC)c4C[C@@H]([C@@H](O)N1[C@H]2C)N3C 28641424 UARLRORUZJETHY-NHKIEUPYSA-N 438.524 3.368 0 1 IGAF C[C@H](COc1ccc2c(c1)n1ncc(I)c1n[n+]2[O-])c1ccccc1 43119378 ANSPCLYDDPXFAL-GFCCVEGCSA-N 446.248 3.303 0 1 IGAF O=C(Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)Nc1nnc([C@@H]2CCCO2)s1 49066846 GKRARABJQLXMFM-ZDUSSCGKSA-N 439.457 3.391 0 1 IGAF O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccccc1)C[C@H](Cc1ccccc1)N2 82227945 QUIVHNDUIRNBRR-NRFANRHFSA-N 428.492 3.300 0 1 IGAF CCCN(C)C[C@@H]1Oc2cc(-c3ccccc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C 95708250 OAEFJTIHAXTXFK-YDHSSHFGSA-N 446.613 3.464 0 1 IGAF Cc1cc(S(N)(=O)=O)ccc1NC(=O)c1cc(N(CC(C)C)C2CCCC2)ncn1 142404664 UARUCVJFMAAHCS-UHFFFAOYSA-N 431.562 3.090 0 1 IGAF NC(=O)n1cc(NC(=O)N2N=CC[C@@H]2C(=O)NCc2cccc(Cl)c2)c2ccccc21 148178966 FFUPCERLXPOELV-GOSISDBHSA-N 438.875 3.130 0 1 IGAF Cc1nnc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)o1 222327124 VWUFRDYKVLZUFY-UHFFFAOYSA-N 443.471 3.032 0 1 IGAF CC[C@H](O[C@@H](CO)Cc1ccc(O)c(OC)c1)[C@H](OC)c1cc(OC)c(O)c(OC)c1 299813546 IXDWWAKFBJRMEW-WLENULPWSA-N 436.501 3.210 0 1 IGAF N[C@@H](CC(=O)N1[C@H](CNC(=O)C2CC2)C[C@@H]2CCCC[C@@H]21)Cc1cc(F)c(F)cc1F 299840375 VGQZCJVKEOWUNR-CCFTVXDOSA-N 437.506 3.050 0 1 IGAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3nc(Cl)c(Cl)cc3[nH]2)cc1 586947260 VIMHINGLGCMPIF-LLVKDONJSA-N 427.313 3.389 0 1 IGAF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4c(N)ccnc4[nH]3)ccc2s1 587033455 IPRILZDHVRBBQZ-UHFFFAOYSA-N 425.470 3.087 0 1 IGAF O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5c(O)ncnc5[nH]4)(C3)C1)C2 587087252 CJXIBVYFVZMTCH-APXORSLESA-N 447.326 3.460 0 1 IGAF CC1(C)[C@H]2CC[C@]1(CS(N)(=O)=O)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605238 BPSUQDNHLJEZRX-DENKBBGASA-N 443.521 3.207 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C)c(C)c1Br 587867089 RZVFRJUBFMILKB-UHFFFAOYSA-N 444.211 3.465 0 1 IGAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(=O)c2c(C)cc(C)nc2n1CCOC 587872712 SEHREORBOZGVSR-UHFFFAOYSA-N 437.475 3.445 0 1 IGAF COC(=O)Cc1cc(OC)n(-c2c(Br)cccc2-c2cnn(C)c2)c1OC 587934930 KOUZQYLMMJFNQC-UHFFFAOYSA-N 434.290 3.373 0 1 IGAF C[C@H]1[C@@H](c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1(F)F 653751536 LFUAMWIFIWKNLA-KNSQEALPSA-N 425.386 3.068 0 1 IGAF COc1ccc([C@@]2(C[C@@H](C)CC(=O)O)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1OC 962925652 WTVXOXNIKVQLMT-SJZFEPBNSA-N 431.460 3.186 0 1 IGAF O=C(Nc1cnn([C@@H]2CCNC2)c1)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 1857541240 MUFFNLSSBZMKEA-MRXNPFEDSA-N 432.311 3.187 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(N)=O)c(F)c3)c2)cc1 1857592587 JNMWHBCXXUERBV-UHFFFAOYSA-N 442.516 3.266 0 1 IGAF Cc1ccccc1CC(=O)N1CCC[C@H](CCC(=O)N2CCN(c3ccccn3)CC2)C1 12836050 UTOGLLIOCZBHPD-JOCHJYFZSA-N 434.584 3.300 0 3 IGAF O=C(NCc1ccco1)C1=CN2CCN(Cc3ccccc3C(F)(F)F)C(=O)N=C2O1 205217787 VJICTOKBMXDGHF-UHFFFAOYSA-N 434.374 3.080 0 3 IGAF CCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)c(CO)c2)cc1 13589005 XGTUABCJBUFKQG-UHFFFAOYSA-N 425.432 3.260 0 1 IGAF NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1ccc(NC(=O)c3cccnc3N)cc1-2 45335423 YLPODTNJULRBKP-UHFFFAOYSA-N 442.454 3.105 0 1 IGAF CN(CCCCOc1ccc(F)cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 48999058 KQROEEFEQDSOBP-QFIPXVFZSA-N 434.462 3.374 0 1 IGAF CCOc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN(C)C)NC2 58574850 JAPRDKNCYQPDDQ-HSZRJFAPSA-N 449.555 3.069 0 1 IGAF Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)NCc2ccccc2)c1 82146512 OZQIEIDOIVLVFF-FQEVSTJZSA-N 429.524 3.084 0 1 IGAF COC(=O)c1ccc(-c2nc3c(NCc4ccccc4)ncnc3n2CCNC(C)=O)cc1 82178338 LCDIKGNXJGYBHZ-UHFFFAOYSA-N 444.495 3.028 0 1 IGAF C[C@H](NC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1)c1ccc(F)cc1 82192072 QUAZJFGMPMQHOE-HYVJGQCMSA-N 448.498 3.293 0 1 IGAF O=C(c1ccncc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccc(F)cc1 95893835 NFDDLTTXLOEAOT-BHDDXSALSA-N 432.455 3.242 0 1 IGAF CO[C@H](CN(C)CC1CCOCC1)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@H](C)CO 95899200 IUSZJOKEOVUDOA-JBYIUTFZSA-N 439.572 3.050 0 1 IGAF Cc1cc(S(=O)(=O)Nc2ccncn2)c(F)cc1O[C@H]1CCC[C@@H]1c1ccnn1C 144439410 ZVPSWCAUXFLKFN-PBHICJAKSA-N 431.493 3.174 0 1 IGAF C[C@H]1CN(CCCOC(=O)[C@H]2Cc3ccc(O)cc3CN2)CC[C@@]1(C)c1cccc(O)c1 169335087 SCCAFBMPWRFHRT-GJECAEJISA-N 438.568 3.345 0 1 IGAF Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1CC[C@@H](N)CCO1 205658400 XPRRDGFMVGWELY-QMTHXVAHSA-N 448.499 3.225 0 1 IGAF Cn1cc(-c2c(N)ncnc2N2CCC([C@H](CN)c3ccc(C(F)(F)F)cc3)CC2)cn1 218677439 ZFRRPTYEXATFLA-GOSISDBHSA-N 445.493 3.437 0 1 IGAF Cc1ccc(-n2cccn2)cc1C[C@@H]1COCCN1C(=O)c1cccc(C)c1-n1nccn1 222119249 LZJVNRGGFLKPHX-JOCHJYFZSA-N 442.523 3.154 0 1 IGAF CCOC(=O)N1C=N[C@]23[C@H](c4ccccc4)[C@@H](c4ccccc4)[C@]12C(=O)N(C)C(=O)N3C 299816886 XKDZKJAXJPSBMV-XUFREYRYSA-N 432.480 3.027 0 1 IGAF O=C1N[C@]2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2ccccc2)CC1 474609474 QKAAUECANFAGOP-SANMLTNESA-N 432.568 3.372 0 1 IGAF C[C@@H](NS(=O)(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587532958 QTZPEGWIODMWDO-FATZIPQQSA-N 443.521 3.197 0 1 IGAF CC(C)(C)OC(=O)N[C@H](C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O 587570194 IMHYITHVHBTZRU-UYFSRDTQSA-N 443.452 3.481 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3nnnn3C)c2)N1 587758395 ISDLJUWBZGHUEK-WYRIXSBYSA-N 432.297 3.314 0 1 IGAF COc1ccc2c(c1)[C@@]1(N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc31)C(=O)N2 963196214 SHAZYSZNYUDJPF-MAUKXSAKSA-N 426.778 3.162 0 1 IGAF O=C(N[C@H]1CCC[C@@H]1Nc1cnc(C(F)(F)F)cn1)c1ncccc1Br 1772603205 HHOJQPPWOPIDQE-QWRGUYRKSA-N 430.228 3.416 0 1 IGAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCC(F)(F)C4)n3)C2)cc1 1772636951 MKOOZHAOPPEXPG-VQIMIIECSA-N 445.514 3.219 0 1 IGAF CC1=C[C@@H]2C=CC[C@H](C)C(=O)[C@](C)(O)C=C[C@@H](O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@H]1C 1857743229 TUOTYDFTSBXZFM-VPPVDYMMSA-N 449.591 3.376 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)[C@H](O)c1ccccc1 4417343 HLHGFVHKPWBERN-VDXXFPQOSA-N 436.552 3.377 0 1 IGAF COC(=O)[C@H](CCSC)NC(=O)c1ccc(CNC(=O)/C(C)=C/c2ccccc2)cc1 6003633 VBJQKYLPTIHXAE-QGUORLBXSA-N 440.565 3.431 0 1 IGAF O[C@H]1CCN(Cc2ccc(Br)cc2)C[C@H]1N1CCN(c2ccccc2)CC1 40564185 MLPKOPXBTFTBAZ-YADHBBJMSA-N 430.390 3.207 0 1 IGAF COc1cccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(Cc3cccs3)nn4C)C2)c1 82195976 AFAPWTYBLWRFIS-UHFFFAOYSA-N 434.521 3.121 0 1 IGAF COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82208921 DRHGPLVZLSYYFM-LJQANCHMSA-N 432.480 3.030 0 1 IGAF CCCN(C)C[C@@H]1Oc2ncc(-c3ccccc3OC)cc2C(=O)N([C@H](C)CO)C[C@H]1C 95726442 QVNCVFKAODAXPC-PNCHPQGNSA-N 441.572 3.319 0 1 IGAF O=S(=O)(CCCF)NCCOc1ccc2c(c1)[C@H](C1(c3ccccn3)CCC1)NCC2 114978503 NOFCDZPALRFKTD-JOCHJYFZSA-N 447.576 3.048 0 1 IGAF NC(=O)CN1CC[C@@H](Nc2nc(-c3ccnc(Nc4ccccc4)c3)nc3ccsc23)C1 148921294 JRBWEOQURXGOGJ-QGZVFWFLSA-N 445.552 3.468 0 1 IGAF C[C@]1(c2cc(NC(=O)c3ccc(OCC(F)(F)F)cn3)ccc2F)N=C(N)OC[C@@H]1F 169702953 LUQWHFMXIMHIHJ-MAUKXSAKSA-N 444.360 3.312 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CC[C@@](C)(O)C4)c3F)C2)cc1 169709929 JEJHGTGJXRSAFY-LZBHBKQYSA-N 442.535 3.037 0 1 IGAF CCc1c(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)c(C)cc2O)[nH]c(C)c1C(C)=O 263620308 CGYOKHBJOYVFIV-UHFFFAOYSA-N 435.546 3.385 0 1 IGAF in-vitro O=C(O)C[C@@H](O)Cc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586890752 OURNEYARFKRMHZ-JTQLQIEISA-N 425.338 3.351 0 1 IGAF COc1ccc(NS(=O)(=O)c2ccc3nc(CS(=O)(=O)C4CCCC4)[nH]c3c2)cc1 586924409 QBAAVRPKTHCVMJ-UHFFFAOYSA-N 449.554 3.230 0 1 IGAF COc1ccc(S(=O)(=O)n2nc(O)c(-c3cn(C(C)=O)c4ccccc34)c2C)cc1 653836249 VNLZMSWHUDAMKW-UHFFFAOYSA-N 425.466 3.425 0 1 IGAF Cc1cc2c(cc1Cl)C(=O)[C@H]([C@H]1N[C@@H](C(=O)O)Cc3c1cnc1ccccc31)C(=O)O2 963222078 GGHSKGPLXRJMLQ-HOJAQTOUSA-N 436.851 3.255 0 1 IGAF O=c1cc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3cncnc3)ccc1-2 1772600145 NIBSOFIQMHADQD-FQEVSTJZSA-N 440.459 3.142 0 1 IGAF C[C@H]1CN(Cc2ccc(Cl)s2)C[C@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 1772635328 GZSRRVIDDJGCHN-SWLSCSKDSA-N 433.965 3.262 0 1 IGAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCO[C@@H](CO)C1 1772654415 DPANWAQZCHDYNI-MRXNPFEDSA-N 433.386 3.274 0 1 IGAF COC(=O)[C@@H]1O[C@H]2C[C@@]1(C)[C@H](CCCOC(C)=O)[C@]1(C)C[C@@H](c3ccoc3)OC(=O)[C@H]21 2356810672 BAFBLSJFGFWLPT-ZTAGQOBPSA-N 434.485 3.200 0 1 IGAF COc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2c(C)n[nH]c2C)cc1 4437765 RUUPOOPTFUZBQW-UHFFFAOYSA-N 442.541 3.486 0 3 IGAF COc1cccc(N(C(=O)[C@@H]2CSC(=O)C2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)c1 13150664 FVCCKRYWICTWQP-JXFKEZNVSA-N 441.553 3.359 0 3 IGAF CC(C)NC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)c2cccc3cccnc23)on1 61895648 UKDNFJFMVBDDNI-QGZVFWFLSA-N 428.514 3.277 0 3 IGAF CC[C@H](C)c1cccc2c1C(=O)N(COc1nc3ccccn3c(=O)c1Cl)S2(=O)=O 13744369 YIRKXGOOGNYHGW-LBPRGKRZSA-N 447.900 3.042 0 1 IGAF CC(C)OC(=O)N1CCN(c2cccc(-c3cc4nc(-c5ccco5)nn4c(N)n3)c2)CC1 28111998 XMXWLFOGYFIRKF-UHFFFAOYSA-N 447.499 3.301 0 1 IGAF COCc1cccc(C[C@H](O)/C=C/[C@H]2CCCC(=O)N2CCSCCCC(=O)O)c1 28474489 KUQBIVNMUSAYOR-VRDGUJSXSA-N 435.586 3.272 0 1 IGAF CC(C)C[C@H](NC(=O)CC1CCCCC1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21 28899910 JHTLAAWJQMVUGR-UNMCSNQZSA-N 426.561 3.151 0 1 IGAF CN1CCC[C@H](C(=O)N2CCN([C@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 58533851 MPOASGQWTHRDQW-RDPSFJRHSA-N 439.003 3.409 0 1 IGAF CC(=O)N1CCC(NC(=O)N2CCC(c3nc(-c4ccc5ccccc5n4)no3)CC2)CC1 72179588 RPVKKSGGRLMPCY-UHFFFAOYSA-N 448.527 3.185 0 1 IGAF O=C1[C@H]2N=NN(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)[C@H]2C(=O)N1c1ccccc1 73224852 NWEOJCCVZRRHHT-JKSUJKDBSA-N 442.357 3.249 0 1 IGAF COCCCNc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(-c2ccc(F)cc2)n1 82139707 QDQRHJWGAHKLBK-UHFFFAOYSA-N 438.459 3.390 0 1 IGAF CCCCOCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)Cc1ccccc1OC 82198873 HRCMGDLTLDDTQF-FGZHOGPDSA-N 448.604 3.347 0 1 IGAF COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4ccc(C)s4)CC[C@H]3O)CC2)cc1 84739650 IEASLWXMEQFKHD-NHCUHLMSSA-N 442.581 3.235 0 1 IGAF COc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1OC 101026995 NSAZUOVLMZKJRI-OALUTQOASA-N 449.459 3.199 0 1 IGAF CN(CCCOc1ccccc1Cl)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 142658202 NGKLFYCCQWNEOG-NRFANRHFSA-N 436.890 3.498 0 1 IGAF COCCNC1CC(c2nc(-c3ccc(C)c(NC(=O)c4cnc5ccccn45)c3)no2)C1 144086464 UXHAQTBGPZMRBR-UHFFFAOYSA-N 446.511 3.427 0 1 IGAF CCc1c(N)ncnc1N1CCC(c2nc(-c3ccnc(C)c3)cn2CCN2CCC2)CC1 218703135 QHCQKCYWPJSUQX-UHFFFAOYSA-N 446.603 3.278 0 1 IGAF CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3cnccc32)cc2cc(Cl)ccc21 220316059 RPLSLTSAWGEBAD-UHFFFAOYSA-N 429.929 3.313 0 1 IGAF CS(=O)(=O)/C=C/c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 586925700 IBTXQRYWIBXUMR-BQYQJAHWSA-N 445.444 3.398 0 1 IGAF COC(=O)c1cc(Cl)c2nc(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)[nH]c2c1 586945692 AERBQCPFQQLTFC-CQSZACIVSA-N 449.916 3.127 0 1 IGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@H]2CCCC[C@@H]21 586959422 KMUZOEWYGYQFLS-NQERJWCQSA-N 449.540 3.233 0 1 IGAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(Br)cnc2[nH]1 587181725 AVMNBCTWIWEMJV-ZETCQYMHSA-N 432.063 3.439 0 1 IGAF O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2c(O)ncnc2[nH]1)OCc1ccccc1 587203126 OCOJEBXDKSRPBP-KRWDZBQOSA-N 447.451 3.160 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC(=O)N3CCOCC3)cc1)CC2=O 587475195 NBMBVRMZCZITTL-RUZDIDTESA-N 439.508 3.463 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](C(=O)OC)(c1nc(N)sc1Br)CC2=O 587495727 RZCHHXHGVRQBQG-QGZVFWFLSA-N 441.303 3.180 0 1 IGAF COc1ccc(OC)c(COc2cc(NC(=O)C3CCCCC3)ccc2S(N)(=O)=O)c1 1857763929 WEGQGGYQXNPHBR-UHFFFAOYSA-N 448.541 3.449 0 1 IGAF Cc1cc(N2C[C@@H]3CC[C@H](C2)[C@H]3N=c2nc3c(OCC(F)(F)F)cccn3[nH]2)sn1 1911576208 YKVXIQFXZBXIMS-YWVIFJGQSA-N 438.479 3.184 0 1 IGAF CC1(C)CN(C(=O)NCc2ccccc2)C[C@H]2CN(C(=O)c3ccc(Cl)cc3)CCN21 2356303609 ZRTIZPCELZODOA-OAQYLSRUSA-N 440.975 3.470 0 1 IGAF CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@]13C[C@@](c4ccco4)(C[C@]21C)OC3=O 2356662835 IQXUYSXCJCVVPA-DMUCVYNMSA-N 444.480 3.071 0 1 IGAF CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@@H]1CSC(=O)C1)c1ccc(F)cc1 8673007 YXPQVXIGAQQXOH-LIRRHRJNSA-N 429.517 3.489 0 3 IGAF O=C(c1ccccc1Cl)N1CCC[C@@H](c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)C1 103968158 GLPXZTAFTJVRRR-MRXNPFEDSA-N 448.914 3.188 0 3 IGAF COC[C@H]([C@H](COC)Cc1cc(OC)c2c(c1)OCO2)[C@@H](O)c1ccc(OC)c(OC)c1 14492528 UZBPYMBHWJYLKZ-IXFSTUDKSA-N 448.512 3.242 0 1 IGAF biogenic CC(C)[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)Nc1ccccc1Cl 16042470 FSCBMFCABNKKDY-VWKPWSFCSA-N 442.947 3.294 0 1 IGAF biogenic CCN(CC)C(=O)c1c(NCC(C)C)c2cccnc2n2c(C(=O)N(CC)CC)nnc12 40954883 INHDFDXTIOKHNH-UHFFFAOYSA-N 439.564 3.309 0 1 IGAF COc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5ccccc5cn4)CC3)c2n1 45191297 AUYINJVKPPIZIJ-DEOSSOPVSA-N 443.551 3.474 0 1 IGAF CCCCC[C@H](O)C[C@@H](CCc1cc(OC2CCNCC2)c(O)cc1CO)OC(C)=O 85628398 CLMAWDAECLOYPS-RBBKRZOGSA-N 437.577 3.211 0 1 IGAF biogenic,in-vitro O=P(O)(O)[C@@H](Cc1ccccc1)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[nH]1 87676236 NAOAQOAPOBTFLY-YADHBBJMSA-N 449.451 3.487 0 1 IGAF C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C(=O)C2CCC2)Oc2ncc(C3=CCCC3)cc2C1=O 95701277 STOWNMHVDAONBA-HYFFOGBASA-N 441.572 3.128 0 1 IGAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2CC1CCCC1 95880974 HYFNOMSTZBWCAG-UVMVBKAHSA-N 448.563 3.346 0 1 IGAF COc1ccc(Cn2cc(C(=O)NN3CCCCC3)c(=O)c3c(F)ccc(F)c32)cc1 96906847 MGGQVQLBLRZGEW-UHFFFAOYSA-N 427.451 3.467 0 1 IGAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1ccccc1C(F)(F)F 138063049 AXLARAVYQPLTSK-KRWDZBQOSA-N 438.427 3.475 0 1 IGAF FC(F)(F)c1c[nH]c2ncc(-c3cc(C4CN(C5COC5)C4)n([C@H]4CCOC4)n3)cc12 146479329 XBGADLUPRMBRCL-AWEZNQCLSA-N 433.434 3.205 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)[C@@H](CO)c3ccccc3)c2)c2cncnc21 169707884 AHPUHOSKSZCLGY-NRFANRHFSA-N 429.480 3.353 0 1 IGAF COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc([C@H](C)c3ccccc3)cc21 205480082 IHGCICJEOROZAH-SFHLNBCPSA-N 436.600 3.166 0 1 IGAF C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@@H]1CC(=O)NCc1cccc(Oc2ccccc2)c1 214236071 WMZFSXUXRLDXFG-XVWGUNQUSA-N 430.508 3.303 0 1 IGAF CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@H]2c1cc(OC)c(OC)c(OC)c1 299825829 NPCPXUXJDZDTON-NRFANRHFSA-N 425.481 3.030 0 1 IGAF CCN1C(=S)N2CCC[C@@H]2c2c(N3CCOCC3)nc(-c3ccc(OC)cc3)nc21 473089858 MLUMXMVEGLESPK-QGZVFWFLSA-N 425.558 3.251 0 1 IGAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)[C@H](C)O)cc1 586939792 XAQLKPUGTVNMGV-VFZGTOFNSA-N 447.410 3.130 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601047 QBSDPUXSXCLUDB-OFVILXPXSA-N 448.427 3.390 0 1 IGAF COc1ccc([C@@]2(CS(C)(=O)=O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587848798 IVSMMEYTMBPNCG-HXPMCKFVSA-N 442.350 3.419 0 1 IGAF COc1ccccc1-c1cc(O)n(-c2nn(-c3ncccn3)cc2Br)c1O 587940167 NDYBKECCVADUJY-UHFFFAOYSA-N 428.246 3.302 0 1 IGAF COC(=O)[C@@H]1CSC[C@@]12c1ccc(C)cc1C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C 963831840 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438.568 3.440 0 1 IGAF O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC2(CCN(C(=O)[C@@H]3CCOC3)CC2)C1 96285137 LPUPTEXTLYVCLC-OAHLLOKOSA-N 441.450 3.468 0 1 IGAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 203532390 INFTVNCBSMJJQM-GMAHTHKFSA-N 430.453 3.111 0 1 IGAF CC(C)n1ncnc1-c1cn2c(n1)-c1cnc(N3CCC[C@@H]3CN3CCCC3)cc1OCC2 203779758 PMENFJKPGOEDMX-GOSISDBHSA-N 448.575 3.242 0 1 IGAF COCC1(Cc2ccc(Cl)cc2)CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 207267220 WLFIIYGAZMSSLB-UHFFFAOYSA-N 425.982 3.350 0 1 IGAF CN(CCC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)C(=O)c1nn[nH]n1 209505850 BJDQNPVEVKKZGS-UHFFFAOYSA-N 441.319 3.017 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccoc2)[C@@H]1C(=O)N[C@@H](CO)Cc1ccccc1 299879374 KPNJNVQYVALZFK-ZFJSRUIDSA-N 434.492 3.490 0 1 IGAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(S)nc(S)nc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587240764 WGHTVEXQPUGKDE-OKAXRFMISA-N 437.591 3.485 0 1 IGAF COc1cc2c3c(c1)O[C@@H](c1c(OC)cc(OCCCC(=O)O)cc1OC)[C@@H](C2)C3=O 587440839 IFMLLHUBXNJBIR-NPMXOYFQSA-N 428.437 3.445 0 1 IGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(=O)N3CCOCC3)cc1)CC2=O 587474766 JLDMYBSZLOYGQJ-QFIPXVFZSA-N 425.481 3.289 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 587870030 SRFJRFVWPWOZGG-ZDUSSCGKSA-N 432.406 3.344 0 1 IGAF C[C@@H](Oc1c(Cl)cccc1Cl)[C@@]1(C)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963204462 LVWRDEWLLXOUHG-HFRPNRNYSA-N 449.338 3.157 0 1 IGAF Cc1cc2c(cc1O)[C@]1(CC(C)(C)Cc3c1cc(C)n3CCC(=O)O)N[C@H](C(=O)O)C2 963492646 SOBABUAQECTMHF-UUOWRZLLSA-N 426.513 3.100 0 1 IGAF COc1ccc2c(c1)[C@@H](O)[C@@]1(CCN(C(=O)[C@H](C)Cc3cc4ccccc4[nH]c3=N)C1)C2 1857576319 PLPGVKRGKFQGRA-CKQQRQADSA-N 431.536 3.343 0 1 IGAF NC(=O)c1cccc2nc(CN3CCC(C(=O)Nc4cc5ccccc5cn4)CC3)[nH]c12 1857594741 XRONFEOKSMLPJF-UHFFFAOYSA-N 428.496 3.061 0 1 IGAF CC(C)(C)c1ccc(S(=O)(=O)NCC2CCN(C(=O)C(=O)c3cccs3)CC2)cc1 199719124 FSNNFVDLXDALJD-UHFFFAOYSA-N 448.610 3.445 0 3 IGAF CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCC(C)(C)CO)cc1 769774 QCCHSNJNPMAMIL-GMAHTHKFSA-N 439.556 3.378 0 1 IGAF CC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)C1 4051802 RNAVSDJTXBOALP-SCWSEQNSSA-N 429.879 3.308 0 1 IGAF COc1ccc(OC)c(S(=O)(=O)N2CCC(N3C(=O)OCc4cccc(C)c43)CC2)c1 13611819 VCZNWSVEHSSSBT-UHFFFAOYSA-N 446.525 3.322 0 1 IGAF C[C@H]1COc2c(N3CCN(C)[C@@H](c4ccccc4)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23 29127252 PSHGURONELHXJB-IFXJQAMLSA-N 437.471 3.285 0 1 IGAF CCN1CCN(C(=O)[C@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)CC1 33591104 KJONCJWNGHJLMU-BJKOFHAPSA-N 430.552 3.253 0 1 IGAF COc1cccc2c1[C@H]1CCN(CCCCN3C(=O)c4ccccc4S3(=O)=O)C[C@@H]1C2 36187742 DDRLEZIXSWVAIO-OALUTQOASA-N 440.565 3.282 0 1 IGAF CC(=O)N[C@H](Cc1ccccc1)C(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 73297365 PKHMXEAHOIRBKO-JWQCQUIFSA-N 444.531 3.318 0 1 IGAF COc1cc2nc(N3CCC[C@@H](C(N)=O)C3)nc(NCCc3ccccc3)c2cc1OC 82127757 SWQGUNGDGPXFDT-QGZVFWFLSA-N 435.528 3.003 0 1 IGAF COCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(C)cc1)C1=C(O)c3ccccc3C1=N2 103529272 MPAGFVQZDPOUIC-GOSISDBHSA-N 429.476 3.431 0 1 IGAF 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COC1CCC2(CC1)Cc1ccc(-c3nccs3)cc1[C@]21N=C(N)N(CCF)C1=O 141169299 JARPBKUMPZZCMV-UVOAEELBSA-N 428.533 3.263 0 1 IGAF Cn1cc(-c2cc(C(=O)N3CC[C@@H](O)C3)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144826539 PPDJXPVFVJUSRU-QRQCRPRQSA-N 443.425 3.073 0 1 IGAF COCCOc1ccc2[nH]c(C(=O)c3cnn(-c4ccc5[nH]c(C)nc5c4)c3N)cc2c1 149976698 IGWDLODVRIEGNQ-UHFFFAOYSA-N 430.468 3.377 0 1 IGAF CN1CCC[C@H]1C(=O)N1CC=C(c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166663478 BVPRNDGLCFLDIN-QHCPKHFHSA-N 431.540 3.339 0 1 IGAF CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1 169686660 FUDKKBFANBSPIG-RTWAWAEBSA-N 439.468 3.117 0 1 IGAF O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4ccnc(C5CC5)n4)nc3n2)C1)N1CC[C@H](F)C1 221403601 CCJYIYBNUWDDJR-CVEARBPZSA-N 435.507 3.079 0 1 IGAF Ic1cnc2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 586966671 IYNQHBVVQKVSNN-UHFFFAOYSA-N 436.238 3.300 0 1 IGAF NC(=O)C[C@]1(C(=O)O)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587332234 FQEAWWJRPJHCSO-OIBXWCBGSA-N 427.428 3.149 0 1 IGAF COC(=O)c1cc(I)c([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)[nH]1 587385212 AQFMWRDXRKBELZ-QGZVFWFLSA-N 440.237 3.177 0 1 IGAF COc1cc2c3c(c1)O[C@@H](c1ccc(I)cc1C(=O)O)[C@@H](C2)C3=O 587427055 GOCCTTACTVWNSC-GUYCJALGSA-N 436.201 3.487 0 1 IGAF CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599240 WQIXNCZWVOOZPE-JONRRIDBSA-N 440.448 3.245 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 587838312 BLLJSRYAEPWDCZ-RZNOAFHXSA-N 445.398 3.433 0 1 IGAF COc1ccc(-c2cc(O)n(-c3nn(-c4ncccn4)cc3Br)c2O)cc1 587939657 KCMFPFSVYCERHA-UHFFFAOYSA-N 428.246 3.302 0 1 IGAF O=C(NCc1ncccc1Cl)c1csc(CCNCc2nc3ccccc3[nH]2)n1 1857580671 QWRABIBEWZGTNK-UHFFFAOYSA-N 426.933 3.330 0 1 IGAF CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2ccc(OC)cc2)c1 1857600052 ZXAGRJXMUOJKIT-OAQYLSRUSA-N 441.528 3.210 0 1 IGAF COc1cc(C(=O)O[C@H]2C[C@H]3C[C@@H](OC(=O)c4ccccc4)[C@@H](C2)N3C)cc(OC)c1O 2356418122 XPJROVPMNASAKM-INDMIFKZSA-N 441.480 3.027 0 1 IGAF CC[C@H](C)[C@H](O)[C@H](C)C(=O)O[C@]1(C)C(=O)c2c(cc(O)c3c2CCC[C@H]3C)[C@@](C)(O)C1=O 2356536660 PHZTWQVIBIBVMW-UJQVWOFKSA-N 446.540 3.150 0 1 IGAF O=C1CCc2cc(S(=O)(=O)N[C@H](C(=O)NC3CCCCC3)c3ccccc3)ccc2N1 9610542 OTSSAPWVVJPYKO-QFIPXVFZSA-N 441.553 3.040 0 1 IGAF Nc1nc(NC[C@H]2CCCN2Cc2cccc(Cl)c2F)nc2nc(-c3ccco3)nn12 13612480 DRDYCIRTYHXJQU-CYBMUJFWSA-N 442.886 3.231 0 1 IGAF CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OCCC(C)C)CC1 13822797 DNDVMMSWAZUPOW-UHFFFAOYSA-N 432.561 3.417 0 1 IGAF CCCNC(=O)N1CC[C@H]2[C@@H]1C(=O)N(c1cccc(F)c1)C(=O)N2Cc1cccs1 25229291 ZWATUTXZTUTUAC-ZWKOTPCHSA-N 430.505 3.419 0 1 IGAF biogenic COc1ccc(OCCCCN(C)C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)cc1 49013932 KGDXXTYUOFDFPN-QHCPKHFHSA-N 446.498 3.244 0 1 IGAF NCCCCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 58582804 XNZFTFAMVCQKSU-UHFFFAOYSA-N 434.540 3.098 0 1 IGAF CCCCNC(=O)[C@H]1C[C@@H](OCCCC)CN1C(=O)CCNC(=O)OCc1ccccc1 82199091 BALMEPLEWIOQIQ-NHCUHLMSSA-N 447.576 3.005 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@H](NC(=O)C(F)(F)F)C[C@@H]2O 84635137 HUYVGSBPTQXJBS-KGLIPLIRSA-N 427.375 3.242 0 1 IGAF CCCS(=O)(=O)NCc1ccc2c(c1)[C@H](Cc1ccccc1)[C@@H](N1CCOCC1)CC2 88261049 PHIZGZHMUCAEAL-DQEYMECFSA-N 442.625 3.489 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)NC[C@H]1C 95680015 XIYJWSRTRLXHAA-YVHKJVDXSA-N 425.529 3.033 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@H](C)NC[C@H]1C 95689107 QIMBDCVCKXPNLA-HYFFOGBASA-N 440.544 3.424 0 1 IGAF CC[C@@H](NC(=O)c1cc(C(=O)N(C)CC2CCOCC2)n2c1COCC2)c1ccccc1 146110588 KAPDAIDTKXCRJN-OAQYLSRUSA-N 439.556 3.398 0 1 IGAF COc1cc(OC)cc(N(C[C@@H](F)CN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204145404 SBKRUFBQSKWUSE-INIZCTEOSA-N 436.491 3.482 0 1 IGAF C[C@@H]1CN(Cc2ccc(Cl)cc2)C[C@@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 205450804 MFVLKKRBSDNESU-KDOFPFPSSA-N 427.936 3.201 0 1 IGAF CC(C)C[C@H](N[P@](=O)(O)CNC(=O)OCc1ccccc1)C(=O)NC[C@H](C)C(C)C 584904729 JBYBUNCIQMPTHL-HKUYNNGSSA-N 441.509 3.468 0 1 IGAF in-vitro O=S(=O)(NCc1nc2cc(C(F)(F)F)ncc2[nH]1)c1ccc(Br)s1 586941612 CRSKYNGSOOGHGW-UHFFFAOYSA-N 441.254 3.279 0 1 IGAF Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc(O)cc3[nH]2)cc1 586952559 IFHOHIQYQBCIKT-SFHVURJKSA-N 446.529 3.121 0 1 IGAF O=[S@@](CCCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)c1ccc(Br)cc1 586958421 FVBFWQIIBFAXFE-DEOSSOPVSA-N 443.344 3.313 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCSCC3)nc3c(C)cccn3c1=O)O2 587415763 WVWGCZMICMNWLU-SFHVURJKSA-N 436.537 3.153 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(N3CCN(C)CC3)s2)N1 587856840 ZCCOAPTYMKWZNS-PIGZYNQJSA-N 425.371 3.420 0 1 IGAF CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@H]1c1cc(Cl)ccc1Cl 1857559732 HJHPMKAERBOCJC-KRWDZBQOSA-N 428.297 3.273 0 1 IGAF O=C1N(Cc2nc3cc(Cl)ccc3n2[C@@H]2CCS(=O)(=O)C2)c2cnccc2C12CC2 1857595595 MLQFMPOIRSVIGF-CQSZACIVSA-N 442.928 3.023 0 1 IGAF COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N(C)Cc3ccccc3)[C@H](O)[C@H]2[C@@H]1C 2356412805 CBXMVEAJDLOTGF-UFYHPRQPSA-N 444.616 3.236 0 1 IGAF COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3CCCO3)ccc2N2CCCC2)cc1 9662200 CKRUBPIAYOBZIY-FQEVSTJZSA-N 445.541 3.214 0 3 IGAF CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2cccnc2SC)C1 4612148 MVCCGFWDTRBADH-DOTOQJQBSA-N 425.620 3.073 0 1 IGAF COc1ccc([C@H](CS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)cc1OC1CCCC1 13915290 JJVMWANXAMHGPS-IBGZPJMESA-N 443.521 3.399 0 1 IGAF Cc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1S(=O)(=O)N1CCN(C(C)C)CC1 29038107 JJZMAUGBAQWGNV-RBBKRZOGSA-N 447.645 3.362 0 1 IGAF Cc1cc(C)c2ncn([C@H](C)[C@](O)(Cn3cncn3)c3ccc(F)cc3F)c(=O)c2c1 29557980 XHLFGGWEAAYUCN-IVZQSRNASA-N 425.439 3.032 0 1 IGAF CC(=O)O[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)cc1 40913563 MJPZVPAXAYMYNU-BJKOFHAPSA-N 448.494 3.415 0 1 IGAF NS(=O)(=O)c1ccc(Nc2nccc(-c3cccc(C(=O)N4CCCCC4)c3)n2)cc1 95580584 AMGRGTYETFMYTK-UHFFFAOYSA-N 437.525 3.161 0 1 IGAF in-vitro CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CC1)[C@H](C)CO2 95679792 BDRXDQAKPVBUQK-DRSNIGMVSA-N 431.577 3.251 0 1 IGAF O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NC1CCCCC1 101623143 PYHOXMAWNFWUFP-UHFFFAOYSA-N 438.509 3.144 0 1 IGAF CSc1ncc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccn2)n1Cc1ccccc1 103170142 BJQILYRVLAHTIU-IBGZPJMESA-N 434.525 3.315 0 1 IGAF COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCCC2)nc1OC 118437926 PETCVTGFELAAJK-UHFFFAOYSA-N 433.512 3.394 0 1 IGAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2cccc(OC(F)(F)F)c2)n1 146977782 OVGPSYUTEHUCAL-GOSISDBHSA-N 433.390 3.079 0 1 IGAF CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(Cn2ccnc2)cc1 169311418 ZSOQWPOVGAAMDL-UHFFFAOYSA-N 446.511 3.463 0 1 IGAF O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CCCC34COC4)cc2)C1 169701430 XLPMTOJOVSHQCL-UHFFFAOYSA-N 446.507 3.005 0 1 IGAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1nc(-c2ccc(Cl)cc2)no1 221677017 PESHRRIJDGTOFK-IMSIIYSGSA-N 448.842 3.198 0 1 IGAF COc1nccc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 586949979 KOXZZIPOWKLJGE-UHFFFAOYSA-N 438.465 3.206 0 1 IGAF Oc1nc(NCc2ccccc2)c2nc([C@H](O)c3ccc(Br)cc3)nc-2[nH]1 586996559 HOJQOJPSQNQHGW-OAHLLOKOSA-N 426.274 3.466 0 1 IGAF FC(F)(F)c1ccn(Cc2cc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)no2)n1 587119827 HFLKTAZKNCITRC-UHFFFAOYSA-N 432.406 3.314 0 1 IGAF COc1ccc(Cl)cc1[C@@]1([C@@H]2CCCN(C=O)C2=O)CC(=O)c2cc(C)cc(N)c2O1 587379967 ZIRFZNIICAPBFY-MWTRTKDXSA-N 442.899 3.495 0 1 IGAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCN1CCOCC1 587398394 GDQNKRYOWJNPQI-JOCHJYFZSA-N 426.513 3.393 0 1 IGAF COC(=O)[C@H](C[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21)N=O 587776847 YQCBBEYLGSWLJN-WOVYWWTOSA-N 436.281 3.459 0 1 IGAF CC(C)c1nn(C)c2c1[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)C(F)(F)F)NCC2 962918251 HWNDQRPCSVKZSV-ZUOKHONESA-N 444.498 3.273 0 1 IGAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2nn(-c3ccc(OC)cc3)c(=O)nc2O)N1 962954667 XKDDOIUIZPEWHG-SHACYNPGSA-N 431.496 3.011 0 1 IGAF Cc1ccc2c(c1)C(=O)C(=O)N2CCN1CCN(NCc2ccc(Cl)cc2Cl)CC1 1772600487 OIZDZCIOFFRQRD-UHFFFAOYSA-N 447.366 3.154 0 1 IGAF NS(=O)(=O)c1ccc(-c2nc(=Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3[nH]2)s1 1857631910 PDOAPXQLQHUSGN-UHFFFAOYSA-N 446.945 3.425 0 1 IGAF COC(=O)N(O)C/C=C/P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C 1857754487 AOTHDUJPZVXHLQ-CSKARUKUSA-N 439.398 3.278 0 1 IGAF CC1(C)O[C@H]2[C@H]([C@H]3COC(C)(C)O3)O[C@H](OC(=O)c3ccc(C(F)(F)F)cc3)[C@H]2O1 1651501 BHLPICAGQSYCKG-JLHDYFKBSA-N 432.391 3.259 0 1 IGAF Cc1ccc(NCC(=O)c2ccccc2)c(O)c1CC(=O)NCc1ccc(C(=N)N)cc1 28568772 CLSRIFHZLIMHCQ-UHFFFAOYSA-N 430.508 3.138 0 1 IGAF CC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3cnc(-c4ccccc4)nc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 64573184 HEWIKQVOIIIXKS-ZQGJOIPISA-N 440.927 3.320 0 1 IGAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](N5CCO[C@H](C)C5)C[C@]4(C)[C@H]3C(=O)C[C@]12C 72135756 LZOOVIWNMHXVKR-RXQYSKPSSA-N 431.617 3.473 0 1 IGAF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(C(=O)CNc2ccccc2N)c2ccccc12 73220130 AYLLPGXNIUFCIM-QFIPXVFZSA-N 447.495 3.167 0 1 IGAF CCCCOC(=O)CC[C@H](NC(=O)c1cc2c([nH]c3ccccc32)c(C(C)=O)n1)C(=O)O 96086349 GKBSOIHLWSOULK-KRWDZBQOSA-N 439.468 3.225 0 1 IGAF COc1ccc(Nc2nccc(Nc3c(N[C@@H](C)C(C)(C)C)c(=O)c3=O)n2)cc1OC 102937362 RKKIDHHGKNGTQI-LBPRGKRZSA-N 425.489 3.424 0 1 IGAF O=C1C[C@H](c2ccccc2Br)C(=O)N1CN1CCN(c2ccc(F)cc2)CC1 103015461 XKLNNOHPHCSGFK-GOSISDBHSA-N 446.320 3.210 0 1 IGAF CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2)CC1 115625545 BPKRPYMPEDTPLM-HXUWFJFHSA-N 433.556 3.396 0 1 IGAF C/C1=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)[C@@H](Cn3ccnc3I)[C@@H]2CC1 299822098 OXHYONLNZPFQNT-NPFGBMGLSA-N 442.297 3.323 0 1 IGAF COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@]5(C)[C@H](O)[C@@H]43)CC2)c1 504294213 HDQONPFINLODRO-VCOWTCSJSA-N 440.584 3.102 0 1 IGAF biogenic CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(F)cc(F)c3[nH]2)C(C)C)cc1 586932354 CWDSYOZISOCYDS-GOSISDBHSA-N 436.484 3.153 0 1 IGAF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586940311 ZNAVYJIIBSRQGL-SSDOTTSWSA-N 441.357 3.374 0 1 IGAF CN1CCN(c2ccc3nc(C[C@H](N)c4ccc(Br)cc4F)[nH]c3c2)CC1 587144493 MUQZSGXYZDCVQA-KRWDZBQOSA-N 432.341 3.459 0 1 IGAF Nc1ccccc1[C@]1(C[C@@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329961 AZIAVXBQOFNHGJ-ZYKOEDHHSA-N 436.439 3.170 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)(C(O)O)N1 587678638 KVIVSNOETQAGIS-XLFHBGCDSA-N 445.126 3.439 0 1 IGAF C[C@H](C[C@@]1(c2cccc(CO)c2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12)C(=O)O 962659275 DZEQUYTVWVSNIF-KNYXRDEQSA-N 448.519 3.180 0 1 IGAF Cc1ncc(CNc2cc(OC[C@@H]3C[C@H]3c3nn(C)c4ccccc34)nn(C)c2=O)s1 1772622910 BXMROPXPUWPRQE-WMLDXEAASA-N 436.541 3.227 0 1 IGAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3nc4ccccc4s3)CC1)C(=O)C2 1351309 AEHYZDRSKXITQV-QVKFZJNVSA-N 433.599 3.144 0 1 IGAF COc1ccc([C@@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2)c(OC)c1 4295683 WWZLCQYIMAAHRW-UPVQGACJSA-N 437.540 3.398 0 1 IGAF CCOC(=O)[C@@H]1C(C(=O)OC)=C(CC(C)C)c2ccccc2N1S(=O)(=O)C(F)(F)F 13814009 ITUAEYXCUXQYQT-INIZCTEOSA-N 449.447 3.261 0 1 IGAF CN1CCN(C(=O)c2ccc3cc(-c4csc(-c5ccncc5)n4)c(=O)[nH]c3c2)CC1 14974728 GFPPBUZAOLMYKX-UHFFFAOYSA-N 431.521 3.101 0 1 IGAF CCn1nccc1N(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 28890916 VOFLUAZLQQRZGH-UHFFFAOYSA-N 446.960 3.377 0 1 IGAF O=C(NC1CCN(Cc2ccc3ccc(=O)oc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1 35862053 OKJKIOJUDZFVDL-UHFFFAOYSA-N 448.450 3.433 0 1 IGAF COc1ccc2nccc([C@@H](O)CN3CCC(NCc4nc5ccccc5[nH]4)CC3)c2c1 45229824 AGUMAMYHXMDUFY-DEOSSOPVSA-N 431.540 3.407 0 1 IGAF Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5ccc(CN)cc5)[nH]c34)CC2)no1 49046900 BLVOITZPKDXRCK-UHFFFAOYSA-N 437.935 3.356 0 1 IGAF C[C@H]1CN(Cc2cc(Cl)ccc2CC(=O)O)CCN1S(=O)(=O)Cc1ccccc1 66103605 USELGMAYVJTSGV-INIZCTEOSA-N 436.961 3.003 0 1 IGAF O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 95866260 FBOQZBKGMGNFKB-CLCZQPDDSA-N 444.506 3.233 0 1 IGAF CN1C[C@H](c2ccc(F)c(F)c2)[C@]2(SC(=O)NC2=S)[C@]12C(=O)Nc1ccccc12 96903040 GASBIZFOIXSEEH-OITMNORJSA-N 431.489 3.364 0 1 IGAF C[C@H]1C=C[C@H]2[C@H](C)[C@H]3[C@@H](O)C[C@H]4[C@@H]5C[C@@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3CN2C1 137079832 BSHYJFKVJJHKEM-YHIXLZKYSA-N 429.645 3.310 0 1 IGAF CC(=O)Nc1nnc(CCSCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 169697680 LEIMEAFPOLUZPR-UHFFFAOYSA-N 448.599 3.048 0 1 IGAF C[C@@H](NC(=S)NCc1ccc([Si](C)(C)C)cc1)c1ccc(NS(C)(=O)=O)cc1 170125955 FWWLXAFCEUEQRU-OAHLLOKOSA-N 435.691 3.329 0 1 IGAF CC(C)C[C@H](NC(=O)c1ccc(N2CC(F)(F)C2)c(-c2cccc(Cl)c2)n1)C(N)=O 207733277 QCOCMPRMHVAYGY-INIZCTEOSA-N 436.890 3.487 0 1 IGAF CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)cc1 586939458 PCCXWLXLYTYSOM-MRXNPFEDSA-N 427.574 3.059 0 1 IGAF CC(C)(C)NC(=O)[C@H](c1ccc2c(c1)OCO2)N1CCc2c([nH]c3ccccc23)CC1=O 653854548 RLSLDGQGGMQYGX-QHCPKHFHSA-N 433.508 3.480 0 1 IGAF COc1ccc2c(c1OC)[C@](C)(CN1CCN(C(=O)OC(C)(C)C)CC1)N(C)[C@@H](C)C2 962565513 HOQSEEQAPVDCKJ-XDHUDOTRSA-N 433.593 3.348 0 1 IGAF COc1cc(OC)c([C@@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(OC)c1 962646070 WCYBMYQZVDGALU-KZULUSFZSA-N 427.375 3.299 0 1 IGAF CC12CN3CCN(C1)CC(C)(C3)C21NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962950713 HVXVBJMSHLUESN-UHFFFAOYSA-N 435.534 3.210 0 1 IGAF COc1ccc2c(c1)[C@]1(N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc31)C(=O)N2 963196215 SHAZYSZNYUDJPF-QAPCUYQASA-N 426.778 3.162 0 1 IGAF O=C1NCN([C@H]2CC[C@H](CNCC(F)(F)Br)CC2)c2c1c[nH]c1nccc2-1 1772635277 CDKRXWKJLOFKPT-HAQNSBGRSA-N 442.308 3.158 0 1 IGAF O=S(=O)(NCCNC/C=C/c1ccc(-c2cn[nH]c2)cc1)c1cccc2cnccc12 1857542070 WYHZUKCDGRPQIN-NSCUHMNNSA-N 433.537 3.206 0 1 IGAF CC(C)N1CCN(Cc2cc(S(N)(=O)=O)ccc2Oc2ccc(F)c(Cl)c2)CC1 1911579047 GCHRFBUPLOSKPD-UHFFFAOYSA-N 441.956 3.445 0 1 IGAF CC1=C[C@H](CN2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356301089 VAABRQRSPVXVNN-ZRBLBEILSA-N 439.604 3.139 0 1 IGAF CC1=CCC[C@@H]2[C@]1(C)C[C@H](O)[C@H](COC(=O)CCC(=O)O)[C@@]2(C)CCC1=CC(=O)OC1 2356580447 VSTUTLIQELECLS-KHWIFYOGSA-N 434.529 3.408 0 1 IGAF O=C(NCCOCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(Cl)cc1F 4055199 NDCDELKLMXFYTJ-MJGOQNOKSA-N 441.286 3.349 0 1 IGAF O=C(O)C[C@H](NC(=O)Cc1cccc(CCc2ccc3c(n2)NCCC3)c1)c1cccnc1 13489936 ZFAFRTHFBFICQH-QHCPKHFHSA-N 444.535 3.495 0 1 IGAF NCCOCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c12 28901051 JFPGALAHAHQULC-UHFFFAOYSA-N 431.475 3.485 0 1 IGAF C[C@@H](NC(=O)c1ccccc1)C(=O)OC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1 73313013 SXOJFGMXGDJOOS-AUSIDOKSSA-N 430.504 3.389 0 1 IGAF CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCc1ccccn1 82082534 FGFOWBVFYSHLOS-HXUWFJFHSA-N 437.452 3.006 0 1 IGAF O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@H](c1ccccc1)CN2)c1ccco1 82210180 SFFGSEGMYMOISN-SFHVURJKSA-N 434.496 3.451 0 1 IGAF COc1cc([C@H]2SCC(=O)N2NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)ccc1O 84689444 NQBGMMCRYLLKKS-HXUWFJFHSA-N 444.900 3.363 0 1 IGAF COc1cccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3C(=O)c2ccc(F)cc2)c1 95894551 DMZOAGGJCGYILZ-SGNDLWITSA-N 446.478 3.464 0 1 IGAF O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CC[C@@H](CC(=O)N2CCCCC2)O[C@@H]1CO 95907717 ZCCXSOMXQVMJIM-RCCFBDPRSA-N 443.466 3.138 0 1 IGAF CCCOc1nc(-c2ccc(C)nc2)nc2c1CN(C(=O)c1cnn3ccccc13)CC2 96168387 XBCXARZGQLBORN-UHFFFAOYSA-N 428.496 3.482 0 1 IGAF Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2C)n(C)n1 96916314 RORDPBNOPANGFZ-UHFFFAOYSA-N 445.483 3.473 0 1 IGAF CS(=O)(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2cc(F)ccc2c2ccc(F)cc21 148528784 FBUYTDZNHQCEKJ-MRXNPFEDSA-N 434.464 3.488 0 1 IGAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O)[C@](CO)(CCCc2ccccc2)C[C@H]3[C@H]1C5 169289971 MMXFDJAANNJTRD-JACMQWFDSA-N 435.564 3.034 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@H](O)[C@@](/C=C/Cc4ccccc4)(CO)C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169365272 ZWVDVCFMIUCNEM-VRTUXLCUSA-N 447.575 3.113 0 1 IGAF CN[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(F)cc1 199681436 WWQMJMXWEMVOMB-RPWUZVMVSA-N 446.588 3.394 0 1 IGAF CN1CCN(Cc2ccc(NC(=O)c3[nH]ncc3Nc3ncnc4ccsc34)cc2)CC1 205803362 NPLHHQHEODJUBY-UHFFFAOYSA-N 448.556 3.158 0 1 IGAF N#Cc1c(N)ncnc1N1CCC(c2nc(C3CCCCC3)cn2CCN2CCC2)CC1 206947389 HFKGXBIBYCUDKG-UHFFFAOYSA-N 434.592 3.264 0 1 IGAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1)C1CCOCC1 261169674 SQLGEXQBAJPFNZ-XUTJKUGGSA-N 440.588 3.442 0 1 IGAF CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc(O)c1 299880266 LZZJGXGLOBZCIH-RVCNYPJRSA-N 443.496 3.425 0 1 IGAF COc1cc2c3c(c1)O[C@H](c1ccc(I)cc1C(=O)O)[C@@H](C2)C3=O 587427056 GOCCTTACTVWNSC-SUMWQHHRSA-N 436.201 3.487 0 1 IGAF COC(=O)C1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC(OC)(OC)C1 587811106 MREKJDSEHZUCCH-GTNSWQLSSA-N 430.314 3.280 0 1 IGAF CS(=O)(=O)c1cccc([C@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962894168 HPMHQACYEASFGE-GMAHTHKFSA-N 425.481 3.120 0 1 IGAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(C(=O)O)c(I)c3)c3cccc1c32 963039556 YEPLBTGZXVMQSN-ZMZPIMSZSA-N 448.260 3.132 0 1 IGAF CN1CCN(c2ccn3c(-c4ccc(C(N)=O)c(OCc5ccccc5)c4)cnc3c2)CC1 1772632750 GKQAYGLKUNTBDR-UHFFFAOYSA-N 441.535 3.431 0 1 IGAF COc1ccccc1NC(=O)NC[C@@H]1O[C@H](Cc2cc(-c3ccccn3)on2)CC[C@@H]1O 2356727246 KXGQYUBUZYWYHV-BPXKWBHBSA-N 438.484 3.018 0 1 IGAF CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC3(CC2)OCCO3)[C@H]1c1c[nH]c2ccccc12 2469347 GOPOVPCKNOGBOG-DHIUTWEWSA-N 445.519 3.444 0 1 IGAF C[C@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3)C(=O)[C@H]12 4056865 RSSGZZGOMCPFEH-PDIWNELESA-N 447.510 3.490 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@H]1C(=O)NCCCN1CCCC1=O 4153461 JUCKBGHXBLOCSK-RBBKRZOGSA-N 441.553 3.367 0 1 IGAF CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1[nH]ncc1C(=O)OCC 13559136 WJDGWVSEUIRGAL-HNNXBMFYSA-N 438.525 3.060 0 1 IGAF O=C(CC[C@@H]1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23)Nc1ccccc1 13739770 VGVGASMPXUSQSB-HNNXBMFYSA-N 428.286 3.359 0 1 IGAF CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc([C@H](O)C(=O)O)cc1 27870190 RMZFEJHUEFKIBK-RXVVDRJESA-N 426.469 3.068 0 1 IGAF O=C(/C=C\c1ccco1)NCC(=O)N1CCC(c2nccn2CCc2ccsc2)CC1 73388681 GDQMXLLMWTWCRN-ARJAWSKDSA-N 438.553 3.316 0 1 IGAF CCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82224379 AMVMKFDJUUZWMD-HXUWFJFHSA-N 433.512 3.005 0 1 IGAF O=C(O)[C@@H]1C[C@H]2C[C@@H](Oc3cc(OCc4ccccc4)ccc3-c3nnn[nH]3)CC[C@H]2CN1 103278023 ZOJUIVFYPJNVBT-NZGUISNBSA-N 449.511 3.056 0 1 IGAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1)C1CCOCC1 116880512 SQLGEXQBAJPFNZ-TYKWCNGQSA-N 440.588 3.442 0 1 IGAF NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1 143923066 NVQRQHLCEOOCFV-AATRIKPKSA-N 425.290 3.193 0 1 IGAF CC[C@@H](NC(=O)c1cc(C(=O)N[C@@H](C)c2ncccn2)n2c1COCC2)c1ccccc1 146142258 HOEHRXVHNCXSCQ-QFBILLFUSA-N 433.512 3.180 0 1 IGAF CS(=O)(=O)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 147503733 XLURNSXNTONRCI-UHFFFAOYSA-N 425.915 3.237 0 1 IGAF C[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(N4CCOCC4)nc3Cl)oc2c1 168617143 JPXHMLGSNZNILO-LBPRGKRZSA-N 425.876 3.240 0 1 IGAF O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@H](CO)c1cc(F)cc(Cl)c1 169701518 DZKFJBACCWTQSQ-HXUWFJFHSA-N 444.894 3.270 0 1 IGAF O[C@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(F)nc2)cn1 205222467 BPJZEQQYTJUNIW-LJQANCHMSA-N 448.355 3.227 0 1 IGAF CCOc1cc(NS(C)(=O)=O)c(OCC)cc1CNC(=O)Nc1ccc(OC)cc1 474606155 HKZLUCVFMYQMDK-UHFFFAOYSA-N 437.518 3.186 0 1 IGAF CCCCS(=O)(=O)N[C@H](c1nc2cc(Br)cc(C(=O)O)c2[nH]1)C(C)C 586933754 XEPKKZGYULRLGF-ZDUSSCGKSA-N 432.340 3.440 0 1 IGAF COC(=O)c1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c1OC 587182259 NMJPUXIBFXIDMR-VIFPVBQESA-N 440.241 3.077 0 1 IGAF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587231813 VKDXKNJMBMTRLG-UHFFFAOYSA-N 440.467 3.428 0 1 IGAF COC(=O)[C@H]1CN(C(=O)OCc2ccccc2)CC[C@]12CC(=O)c1cc(C)cc(N)c1O2 587396835 WKXXFYDXEHWJJR-KOSHJBKYSA-N 438.480 3.113 0 1 IGAF CCCc1c(O)ccc2c1O[C@](CNC(=O)CCC(=O)O)(c1ccccc1F)CC2=O 587467472 SLADNDMEYDUBAO-HSZRJFAPSA-N 429.444 3.326 0 1 IGAF Cn1nc(C(F)(F)F)c(Br)c1C(=O)n1ncc2ccc(Cl)cc2c1=O 587651258 GDMQKCCGIBXJIK-UHFFFAOYSA-N 435.587 3.253 0 1 IGAF O=C(Cn1nnc(-c2ccccc2)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656744 MGAPJHRRGFTQOE-UHFFFAOYSA-N 444.401 3.336 0 1 IGAF COc1ccc2c(c1)c(CN1CCNCC1)cn2S(=O)(=O)c1ccc(C(C)C)cc1 1772610954 SXUMFJKMRHJVKR-UHFFFAOYSA-N 427.570 3.416 0 1 IGAF COc1ccc(O)c(/C=C(/C(=O)N2CCN(c3ncccn3)CC2)c2ccc(F)cc2)c1 1857761618 JJSHEORRJBGRBT-LTGZKZEYSA-N 434.471 3.219 0 1 IGAF CC(C)c1cc2c(c(O)c1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)[C@]1(C)CCCC(C)(C)[C@@H]1CC2 2356692694 HTEXSXCVDJMYMF-CHABAMPJSA-N 434.573 3.364 0 1 IGAF CN[C@@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12)C(C)C 2356715419 JWACXIROMWTVRE-BJKOFHAPSA-N 434.584 3.140 0 1 IGAF CC(=O)N1CCC(NC[C@@H]2C[C@H]3CCN2C[C@H]3c2cc(C3CCCC3)nc(C)n2)CC1 2356817317 DJSGAERVONBMNU-AKIFATBCSA-N 425.621 3.221 0 1 IGAF CCN1C(SCC(=O)NCc2ccc3c(c2)OCO3)=NN/C1=C1/C=Nc2ccccc21 104037001 MRZJFSMCJDNALE-LTGZKZEYSA-N 435.509 3.046 0 3 IGAF COc1ccc(CN2CCN(c3ncc(C(=O)NCCC(F)(F)F)s3)C2=O)cc1 205207819 FXWMETXPFBEOFG-UHFFFAOYSA-N 428.436 3.276 0 3 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCCc1cc(OC)cc(OC)c1 4547506 NJHQPRWWXFCBSU-FDBDHVCPSA-N 432.561 3.115 0 1 IGAF COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccccc5)n4)CO[C@H]23)cc1 5433650 CJCAPSWAICCIRV-DXBBTUNJSA-N 448.479 3.348 0 1 IGAF biogenic COC(=O)c1ccc2c(=O)n(Cc3ccc(C(=O)NCc4ccco4)cc3)c(=S)[nH]c2c1 8661791 MWCXHFIOHGMEHE-UHFFFAOYSA-N 449.488 3.417 0 1 IGAF CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2)n1nc(C)n2c(cc3occc32)c1=O 8965073 JHEOCIZDQBCZBN-BBRMVZONSA-N 436.468 3.150 0 1 IGAF CCn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccc(OC)cc2)n(CC)c1=O 13860280 ROXCRDRYLLNCAS-UHFFFAOYSA-N 425.533 3.201 0 1 IGAF COc1ccc2cnc(Nc3ccc(N4CCN(C(=O)CN)CC4)cc3)nc2c1C(C)C 14945393 MWIAAIZWNCNGQO-UHFFFAOYSA-N 434.544 3.113 0 1 IGAF CC(=O)N1CCC2(CC1)NCc1cc(C(C)(C)C)cc(I)c1O2 27653418 JAHIWFCKUQDYKW-UHFFFAOYSA-N 428.314 3.409 0 1 IGAF C[C@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(F)c(F)c4)CC3)cc2)CCN1 34850411 HEOZLKUZJWVEOW-SFHVURJKSA-N 442.554 3.404 0 1 IGAF O=C1N2C=C(c3ccc(O)cc3)N=C(Cc3ccccc3)C2=N[C@]1(O)Cc1ccc(O)cc1 38664782 ULLMMKZQNNBLRN-SANMLTNESA-N 439.471 3.266 0 1 IGAF biogenic,in-vivo CC(C)C(=O)OCC(=O)[C@@H]1CC[C@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3C(=O)C[C@@]21C 40496601 UHWOAYITUVVFCV-OKDOFMPOSA-N 434.529 3.226 0 1 IGAF CN(C)c1ccc(-c2nc3c(N4C[C@H]5CCN(Cc6ccccc6)[C@H]5C4)ncnc3o2)cn1 58655311 YSVIIUBIAQWFIX-UXHICEINSA-N 441.539 3.457 0 1 IGAF Cc1nc(N2CC(c3nc4cccc(C(F)(F)F)c4[nH]3)C2)cc(-n2nc(C)nc2C)n1 143128281 HYSGUXIEJMDSOE-UHFFFAOYSA-N 428.422 3.481 0 1 IGAF COc1ccccc1-c1cc2c(NC3[C@@H]4CC5C[C@@H]3CC(O)(C5)C4)c(C(N)=O)cnn2c1 146097528 GHRGAAJPTVWXMT-MZYGGRBASA-N 432.524 3.460 0 1 IGAF CNc1ccc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)cn1 166979629 GZBZDQBLAIACNB-UHFFFAOYSA-N 427.468 3.030 0 1 IGAF O=C(Nc1ccc(CN2CCOCC2)cc1)c1[nH]ncc1Nc1ncnc2sccc12 205786442 WTKYHVUVQSLNBW-UHFFFAOYSA-N 435.513 3.243 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(OC(F)(F)F)c(F)c1 221906845 ANLABPQVTMIFQY-OPQQBVKSSA-N 430.358 3.393 0 1 IGAF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccc(COc2ccc(F)cc2)cc1 299807083 KKAREXGDOFNMHY-KNPYFFGGSA-N 432.451 3.103 0 1 IGAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(Br)cc3[nH]2)c1 587232040 RRYRTSJJZXJNDP-UHFFFAOYSA-N 445.317 3.273 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)N(C)C)cc2)N1 587839895 JEMCODWHEZXLOH-ZMZPIMSZSA-N 427.339 3.462 0 1 IGAF COc1ccc(CN(C)[C@@H](C)c2ccc3c(c2)CCO3)cc1OCCN1C(=O)CCC1=O 1772617531 CSWTWMSGPXPHMO-KRWDZBQOSA-N 438.524 3.351 0 1 IGAF COC(=O)C1=C(c2c(C)noc2C)C[C@@H]2CC[C@H]1N2C(=O)NCc1ccc2c(c1)OCO2 36384329 PDCQIEGOYIHVRS-DOTOQJQBSA-N 439.468 3.093 0 3 IGAF CNC[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C 61922868 NEAMIVWIATVNNI-PNCHPQGNSA-N 435.568 3.423 0 3 IGAF O=S(=O)(c1ccc(Cl)cc1)N1Cc2ccc(Br)cc2-n2nncc2C1 199736045 CKCBRWLHSWDZPL-UHFFFAOYSA-N 439.722 3.388 0 3 IGAF Cc1c(C(=O)N2CCC(C)CC2)sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c12 2926706 FFFXQAIWJSFOSA-HOTGVXAUSA-N 444.601 3.143 0 1 IGAF COC(=O)c1ccccc1NC(=O)Cn1c(=O)cc(-c2ccccc2)c2c(C)nn(C)c21 8604919 DBZRNSIZFKSSSY-UHFFFAOYSA-N 430.464 3.136 0 1 IGAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)c4cccc(C)c4)CC3)cc21 9601940 ZTIBGKLIQHCSNR-UHFFFAOYSA-N 437.471 3.130 0 1 IGAF CC(=O)OCCCN1C(=O)[C@@H](OC(C)=O)N=C(c2ccccc2)c2cc(Cl)ccc21 26152055 KQIHMBHBEXNKDC-OAQYLSRUSA-N 428.872 3.366 0 1 IGAF CCn1cc([C@@H](NC2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)c2cccnc2)cn1 72102196 BQXPLSLDXAOCDJ-QHCPKHFHSA-N 439.585 3.050 0 1 IGAF CC(=O)N1CCc2ccc(C(=O)CCCN3CCN(Cc4ccccc4)CC3)cc2CC1 73196004 VQTCAOXIAPFHHQ-UHFFFAOYSA-N 433.596 3.414 0 1 IGAF CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H]1C 95679625 LZLCXSINECTMIX-JKSBSHDWSA-N 431.577 3.251 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 95893770 ABQUSIFMIMPGPZ-BHDDXSALSA-N 432.455 3.242 0 1 IGAF O=C1OC[C@H](c2cccnc2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)c(F)c3)c2n1 116186165 FYZKZVYFSRDJIT-GOSISDBHSA-N 442.414 3.413 0 1 IGAF Cc1cccc2nc(CCc3nc(-c4cccs4)cn3C[C@@H](O)CN3CCCC3)nn12 117860083 FZRAMHAFILXIFF-SFHVURJKSA-N 436.585 3.205 0 1 IGAF Cc1cc(-c2n[nH]c3ccc(C(=O)N[C@@H]4CCCN(Cc5ccncn5)C4)cc23)ccn1 147812621 FSXOCQSVCOHZMT-HXUWFJFHSA-N 427.512 3.118 0 1 IGAF NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc(Cl)cc4)n3)sc2c1 299827385 GJCNNRMNQRYWAR-UHFFFAOYSA-N 434.886 3.148 0 1 IGAF COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3cccs3)[nH]c2n1 586946199 OPTOZAGPIGHYFP-UHFFFAOYSA-N 434.524 3.013 0 1 IGAF N[C@@H](N=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 586950317 DMWIMQYYUYVRFS-FQEVSTJZSA-N 428.518 3.219 0 1 IGAF COc1ccc([C@]2(COCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587592850 HRJSHXKTFQQQEO-URXFXBBRSA-N 436.416 3.359 0 1 IGAF CCOC(=O)C(=O)NC[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587753475 HGCCFTCABRNAKF-LRTDBIEQSA-N 449.320 3.045 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CN)(c2ncn(Cc3ccccc3)c2N)N1 587754220 KSHZCUUUCSRTDB-ZSEKCTLFSA-N 444.352 3.152 0 1 IGAF COc1ccc2c(c1)CC[C@@]21NC(=O)N(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)C1=O 1857751088 VOSYQSJSTNXTKX-MRDQGFSESA-N 447.535 3.216 0 1 IGAF CCOCc1c(O)cc(C)c2c1Oc1cc3c(c(C)c1OC2=O)[C@H](O)[C@@H](O)C(C)(C)O3 2356818083 DQJAXLHZBPXXOO-GHTZIAJQSA-N 430.453 3.436 0 1 IGAF O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 772827 ASLQPUZOJWOPAT-FPOVZHCZSA-N 431.895 3.019 0 1 IGAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc(Br)ccc1OC 4049344 GKBGUGFPVZYPRO-CVAIRZPRSA-N 447.329 3.437 0 1 IGAF O=C(Cc1c(F)ccc(NS(=O)(=O)Cc2ccccc2)c1F)NCc1ccncc1 13527405 JJIYSOTZFHZHQI-UHFFFAOYSA-N 431.464 3.161 0 1 IGAF COc1cccc(CS(=O)(=O)c2nnc(-c3cc(OC)c(OC)c(OC)c3)s2)c1 28648986 DMHZMTUEVQNUDQ-UHFFFAOYSA-N 436.511 3.213 0 1 IGAF O[C@H]1CN(Cc2ccc(Br)cc2)CC[C@@H]1N1CCN(c2ccccc2)CC1 40763031 WUDJZGQDYHJRLI-VXKWHMMOSA-N 430.390 3.207 0 1 IGAF C[C@H](NC(=O)[C@]1(Cc2ccccc2)CCN1C(=O)Oc1cccc2ccccc12)C(N)=O 66077753 MKCPETXCLVZVKX-SSOJOUAXSA-N 431.492 3.016 0 1 IGAF COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(O)c3c(=O)c2OC)cc1CN(C)C 66251157 KKOWFHPMQTYJPN-UHFFFAOYSA-N 445.468 3.270 0 1 IGAF COc1nc(C(=O)N2CC[C@H](Oc3ccccc3C(F)(F)F)C2)cnc1-n1cnc(C)c1 84587076 QJAVDBYKLZGYQM-AWEZNQCLSA-N 447.417 3.292 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)NC[C@H]1C 95688097 BCNSWJISNLDVIF-HYFFOGBASA-N 425.529 3.033 0 1 IGAF CCc1[nH]c2nc(Sc3ccc4c(c3)C(=O)N=C4)nc(N3CC[C@@H](N)C3)c2c1Cl 95921199 MFHNBYVWNDLIQC-LLVKDONJSA-N 426.933 3.435 0 1 IGAF in-vitro Cc1ccc2cccc(NC(=O)[C@]3(O)CC[C@@H](NCc4cc5c(cn4)OCCO5)CC3)c2n1 101459076 PGOCOUCDFIYOBE-HMRCJKRNSA-N 448.523 3.111 0 1 IGAF COc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3ccccc3n(CCC(C)C)c1=O)N2 102021698 PZDPIIVNPZHVPR-UHFFFAOYSA-N 441.509 3.323 0 1 IGAF CCOC(=O)C[C@H](Nc1ccco1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1 103295180 PULFWRXGHUFZKO-GVJIXFOXSA-N 431.485 3.475 0 1 IGAF COc1cccc(OC)c1C(=O)N1C[C@@H]2CN(c3nccc(-c4ccccc4)n3)C[C@@H]2C1 116823933 MBMKYAGDMHNQIG-KDURUIRLSA-N 430.508 3.369 0 1 IGAF Cn1c(=O)c2c(CC(=O)Nc3nc(-c4cccc(Cl)c4)cs3)cccc2n(C)c1=O 117151429 ZKVHRKRSQGNMIJ-UHFFFAOYSA-N 440.912 3.195 0 1 IGAF O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@@H]4C[C@H](C2)C[C@@](O)(C4)C3)c1=O 143851839 YWAIULJIEIJWMP-JRHYQSEFSA-N 449.551 3.346 0 1 IGAF CC(C)(CNC(=O)c1nc(C#N)c2cc(NC(=O)Nc3ccccc3)ccc2c1O)C(=O)O 146733891 KLWZJJXXBFPBBY-UHFFFAOYSA-N 447.451 3.297 0 1 IGAF O=c1n(CCCCN2CCN(c3ccccc3Br)CC2)c(O)c2n1CCCC2 169716681 FBYCTCHATGVEMT-UHFFFAOYSA-N 449.393 3.057 0 1 IGAF CC(C)=C[C@H]1O[C@@]2(C)CC[C@]3(OC(=O)C=C3C)O[C@@]13[C@@H](C)[C@@H]1CC[C@H](C)[C@]1(O)C(=O)[C@@H]23 205398806 HKFGMTLUOBHJIK-AYGMCIJXSA-N 430.541 3.471 0 1 IGAF CS(=O)(=O)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360136 LTSXCXDFBFISNX-UNMCSNQZSA-N 427.453 3.225 0 1 IGAF CCN(CC)c1ccc(-c2nn([C@@]3(C)CCS(=O)(=O)C3)c(=O)c3ccccc23)c(O)c1 587668681 CLAPLIVQJUKYBA-QHCPKHFHSA-N 441.553 3.149 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C(O)O)N1 587685056 XHFUNIQHMGXGNG-VVVCHXIZSA-N 445.126 3.439 0 1 IGAF CCOC(=O)[C@@H]1CCOCC[C@@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963170035 HSZASFLNIDBLQP-BKGUAONASA-N 435.826 3.143 0 1 IGAF CC[C@H](C)[C@H](O)[C@H](C)C(=O)O[C@]1(C)C(=O)c2c(cc(O)c3c2CCC[C@H]3C)[C@](C)(O)C1=O 2356536661 PHZTWQVIBIBVMW-ZWHHNZNZSA-N 446.540 3.150 0 1 IGAF C[C@@]12C(=O)N(C[C@H]3CCCO3)CC(=O)N1[C@@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1 61931366 HZRVIHWEIRSQNK-RQKXCBIASA-N 432.520 3.142 0 3 IGAF O=C1c2cccc(F)c2[C@@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Br)cc1F 1492561 RACHTHJBHIMJDR-LJQANCHMSA-N 449.207 3.035 0 1 IGAF CCCOc1ncc(C(C)=O)cc1-c1nc(O)c2nn(C3CN(C(C)C)C3)c(CC)c2n1 14955567 SUNRSIDIGUGCSU-UHFFFAOYSA-N 438.532 3.413 0 1 IGAF O=C(NC1CCN(C(=O)c2cccc(C(=O)O)c2)CC1)NC12CC3CC(CC(C3)C1)C2 36330685 CLOXGPRROIYAAA-UHFFFAOYSA-N 425.529 3.257 0 1 IGAF CS(=O)(=O)c1ccc(CN(C(=O)C2CCCC2)c2cc(F)cc(-c3nnn[nH]3)c2)cc1 84722731 NERZSSGUGILTQW-UHFFFAOYSA-N 443.504 3.133 0 1 IGAF O=C(OCc1c(-c2ccccc2)no[n+]1[O-])c1cccc(N2C(=O)c3ccccc3C2=O)c1 95552330 RLJSIVFKHSHADR-UHFFFAOYSA-N 441.399 3.133 0 1 IGAF O=C(C[C@H]1CCCNC1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1 96177840 BGMHIWFUGKPDAB-QAPCUYQASA-N 434.548 3.001 0 1 IGAF O=C1[C@@H]2CC=CC[C@H]2C(=O)N1C1=NC2=N[C@H](c3ccccc3)C[C@H](c3ccccc3)N2N1 104028088 LJUIHPXVUYBPKS-MXEMCNAFSA-N 425.492 3.356 0 1 IGAF CCNC(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)cc1 142585003 DJHVDGRDQOIHIG-LHHJGKSTSA-N 435.505 3.316 0 1 IGAF C[C@@]1(C(F)(F)F)Cn2c(nc(N3C[C@@H]4CC[C@H](C3)O4)cc2=O)N1CCCc1ccccc1 210834590 MUAAMJGHBOMLCC-SVMVAKDDSA-N 448.489 3.385 0 1 IGAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cccc(C(N)=O)c2[nH]1 586956894 YQQUIFJJHOYZFA-UHFFFAOYSA-N 448.504 3.089 0 1 IGAF CCOC(=O)[C@@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437240 YQNMGKTYUZDRED-SYJLOODJSA-N 431.485 3.144 0 1 IGAF Cc1cccc(NC(=O)c2nnc(C(=O)Nc3ccc(OCC(=O)O)cc3)s2)c1C 1857760737 ZYWNBFYZYUNTFV-UHFFFAOYSA-N 426.454 3.123 0 1 IGAF CC(=O)O[C@@]1(C)CC[C@@H](C(C)C)[C@H]2[C@@H]3O[C@H](CC[C@@]3(C)OC(C)=O)[C@@](C)(O)CC(=O)[C@H]21 2356804851 VAQGODVKRFPJFH-UIZRVZLPSA-N 438.561 3.200 0 1 IGAF CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccc(OC)cc4)cc3)N3CCC[C@@]3(C(=O)OC)[C@@H]2C1=O 102886944 WKSFBSDMHIOCLF-IFOBJOEFSA-N 448.519 3.046 0 3 IGAF Nc1cc(F)ccc1C(=O)NCCCCN1CCN(c2nsc3ccccc23)CC1 13747180 MSRZTJMHKRJLST-UHFFFAOYSA-N 427.549 3.350 0 1 IGAF COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5ccccc5)n4)CO[C@@H]23)cc1 25430594 CJCAPSWAICCIRV-CBPXPLCBSA-N 448.479 3.348 0 1 IGAF biogenic O=C(Nc1cc[n+]([O-])cc1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 28012242 MZNHDUYXFFIZHG-HSZRJFAPSA-N 449.942 3.406 0 1 IGAF Cc1cc(C)nc(OCC(=O)Nc2cc(-n3nc(C)cc3C)nc(-c3ccc(C)o3)n2)n1 29041708 VWYLETALEOIPPS-UHFFFAOYSA-N 433.472 3.272 0 1 IGAF COCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1cc(OC)c(OC)c(OC)c1 82144657 MRRGQMUSJWQRDO-UHFFFAOYSA-N 444.532 3.290 0 1 IGAF CCOC(=O)C1=C(O)/C(=C/c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)N=C1C 101510853 DUOBESVCIJIVGL-WQRHYEAKSA-N 437.452 3.034 0 1 IGAF Cc1cccc2nc(CCc3nc(-c4ccccc4)cn3CCN3CCN(C)C3=O)nn12 113421011 GPDCSWMANVISES-UHFFFAOYSA-N 429.528 3.054 0 1 IGAF O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)[C@H](Oc2cnc3ccccc3n2)C1 149568135 XDXUAHLLFAFWCF-LJQANCHMSA-N 436.422 3.139 0 1 IGAF Cc1cc(C)c2[nH]c(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)nc2c1 586961743 SSMUVHSMJRLKLY-UHFFFAOYSA-N 438.509 3.121 0 1 IGAF Cc1cc(Br)cc2nc(-c3nc(O)nc(O)c3I)[nH]c12 587182015 KSJZAFQUMYOBKG-UHFFFAOYSA-N 447.030 3.107 0 1 IGAF COc1cc2c3c(c1)O[C@@]1(C[C@H](C(=O)O)Oc4ccc(Br)cc41)[C@@H](C2)C3=O 587419163 SURUKRVPSNIXSX-GQWAEJPESA-N 431.238 3.336 0 1 IGAF O=C(c1cccc(-n2cnnn2)c1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656304 JGMIPCSTVBTGJE-UHFFFAOYSA-N 430.374 3.006 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 587800099 ZXTMWNZDWQGEIG-WVDJIFEKSA-N 433.277 3.335 0 1 IGAF Cc1ccc2c(c1)[C@]1(NCCc3nc4ccccn4c31)C(=O)[C@@H](c1ccc3c(c1)OCO3)O2 962984406 DCDOGQSRJDXCSV-ZEQKJWHPSA-N 439.471 3.464 0 1 IGAF CC(=O)NCC(=O)N1CCC[C@@H]1c1cc(C(=O)Nc2ncc(Cl)s2)c(C)s1 1857654318 ZBBUYIRTHPEMCF-GFCCVEGCSA-N 426.951 3.218 0 1 IGAF Cc1cc(OC[C@@H]2CCCN(C(=N)N)C2)cc(OS(=O)(=O)c2ccccc2Cl)c1 3951546 QKGIPJKYFKQJFD-OAHLLOKOSA-N 437.949 3.400 0 1 IGAF CCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(C)c(C)c3)cc2c1=O 6181266 KBTQYZWFWQYKEA-UHFFFAOYSA-N 441.553 3.500 0 1 IGAF O=C(O)C[C@@H]1CCN(C(=O)C2CCCCC2)C[C@@H]1CCN1CCN(c2ccccn2)CC1 20463396 NRLAYPDCLSQKDW-VXKWHMMOSA-N 442.604 3.113 0 1 IGAF biogenic CCN(CC)CCNc1nc(NCCN(CC)CC)nc(N2CCCc3ccccc32)n1 58603636 OSHRDZVEWTZTCI-UHFFFAOYSA-N 440.640 3.463 0 1 IGAF CC(=O)NC1=NN(C(C)=O)[C@]2(CC3(CCCCC3)Oc3ccc(OC(C)=O)cc32)S1 98083913 XCDHFOJUCIHTIK-OAQYLSRUSA-N 431.514 3.253 0 1 IGAF CCC[C@@H]1C(=O)c2nc(CCCCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O 100034464 TUHIFPLUYHLYRC-QGZVFWFLSA-N 435.528 3.335 0 1 IGAF CO[C@]12C=C[C@]3([C@@H]4[C@@H]1CC(C)(C)[C@@H]4O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 100576366 BANTYRLFVMBWRP-HWRUHYKMSA-N 449.591 3.410 0 1 IGAF O=C(Cc1ccc(/C=C/CN2Cc3cc4ccccc4nc3C2=O)cc1)N1CCOCC1 103182091 RSWWMHVLDMGJKW-ONEGZZNKSA-N 427.504 3.305 0 1 IGAF C/C(N)=[N+]1/CC[C@H](Oc2ccc([C@@H](Cc3ccc4ccc(C(=N)N)cc4c3)C(=O)O)cc2)C1 136419168 FPCYYJGLPINSMR-BJKOFHAPSA-O 445.543 3.075 0 1 IGAF CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)[C@H]1c1cccnc1OCCO 169695485 MPJILDFSNYSRNN-RTWAWAEBSA-N 448.475 3.211 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4[nH]ncc4c3)c2)c2cncnc21 221758363 FXUAFRXTTOGPIN-UHFFFAOYSA-N 426.440 3.162 0 1 IGAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4[nH]c(=N)[nH]c(Cl)c-4n3)c2)cc1 586930416 DCLTVFYQTXUCFW-UHFFFAOYSA-N 428.905 3.171 0 1 IGAF COC(=O)c1ccnc2[nH]c([C@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)nc12 586935447 HPCXXTHPXDQPSL-HNNXBMFYSA-N 448.570 3.134 0 1 IGAF N[C@@H](N=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 586999658 GIKIYNYRKUDFGZ-SFHVURJKSA-N 430.262 3.017 0 1 IGAF CCOC(=O)C(=O)C[C@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587774245 UTAPQCQQIDLOTL-MPBGBICISA-N 435.293 3.283 0 1 IGAF CC(=O)c1ccc2c(c1)[C@@]1(C[C@@H](OCCN)C1(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962617162 BPMJINABOARQDB-XLNZFTOWSA-N 446.544 3.105 0 1 IGAF Cn1c(=N[C@@H]2C[C@H](c3ccccc3)CN(CCc3ccccc3)C2)[nH]c2cc[nH]c2c1=O 1857584552 CYAQNRXNBFHDQR-FCHUYYIVSA-N 427.552 3.196 0 1 IGAF O=C(CCN1CC(F)(F)C1)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2 1857605621 RSADFNMKTQYPDR-UHFFFAOYSA-N 435.525 3.345 0 1 IGAF COCCNC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3cccc(F)c3)[C@H](C)[C@@H]2[C@@H]1O 2356487587 FRPBNZVJVKDCFQ-NFZOYHBPSA-N 448.579 3.146 0 1 IGAF CCCCN(C=O)c1c(CC)nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn12 61897356 QGAKQLBEYYALCV-UHFFFAOYSA-N 438.528 3.477 0 3 IGAF CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1C[C@@H]1COc2ccccc2O1 2971647 OTVHOKIKHCVMKF-MRXNPFEDSA-N 439.537 3.197 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCC(C)(C)CO 4154309 YIVLXAWFHHBPBW-IFMALSPDSA-N 426.513 3.320 0 1 IGAF Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)N[C@H]3CCCc4ccccc43)cc2s1 8912560 SQIYMGJETWNVDJ-SFHVURJKSA-N 429.567 3.419 0 1 IGAF O=C(N[C@H](Cc1ccc(I)cc1)C(=O)O)c1ccc(Cl)cc1 17139405 ZXOATKGVRNNONJ-CQSZACIVSA-N 429.641 3.370 0 1 IGAF CCCCn1c(-c2ccc(NS(C)(=O)=O)cc2)nc2cc(OC)c(OC)cc2c1=O 102920894 GIDNYCQMDNJZNS-UHFFFAOYSA-N 431.514 3.252 0 1 IGAF CC(C)C[C@H]1C(=O)N[C@@H](C2CCOCC2)CN1C(=O)c1cc(-c2ccc(F)cc2)on1 103265401 MRWMYHAPJDKZKR-UXHICEINSA-N 429.492 3.263 0 1 IGAF C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc4[nH]ncc4c3)nc2n1 143491484 CZOYGTMDFFDWDS-HOTGVXAUSA-N 445.527 3.018 0 1 IGAF CCCS(=O)(=O)N1CCC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)CC1 166994254 DVJVOBZJJMDCTO-UHFFFAOYSA-N 444.557 3.212 0 1 IGAF COc1cc([C@@H]2C[C-](c3c(C)[n+]([O-])c4ccc(F)cc4[n+]3[O-])N=N2)cc(OC)c1OC 169720348 IBVXWNUXHYMUSY-AWEZNQCLSA-N 427.412 3.057 0 1 IGAF COc1cc(C#N)ccc1CN1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 220219576 LBOOCFIPRBEDBL-UHFFFAOYSA-N 442.522 3.223 0 1 IGAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc5c(cc4[nH]3)NC(=O)CC5)cccc12 586942960 SFVCETWNQBJOKF-UHFFFAOYSA-N 449.536 3.145 0 1 IGAF C[C@]1([C@H]2C=C(C(=O)O)NN2c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587187 LNHNJABKBBOKGI-DNRQZRRGSA-N 444.443 3.474 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cn2cc(C(=O)O)nn2)(C(C)(C)C)N1 587758406 IUNQZGSSGHZJQD-MLCYQJTMSA-N 425.302 3.354 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CS(=O)(=O)N(C)c3ccccc32)N1 587844610 ONCSNTYQSWIDNH-ADLMAVQZSA-N 425.323 3.146 0 1 IGAF CCN1C(=O)C(=O)N[C@@H]2C[C@H](C(=O)Oc3ccc4ccccc4c3Br)CC[C@@H]21 618015850 GQKPIMKYFDIJFR-BMFZPTHFSA-N 445.313 3.023 0 1 IGAF COc1ccc2c(c1)[C@H](c1cn(C)nc1CN1C(=O)c3ccccc3C1=O)N[C@H]1CC[C@@H]21 962999524 YMWVYIOXKGRSGL-JFJYTDJESA-N 428.492 3.164 0 1 IGAF CCOC(=O)[C@@]1(c2ccccc2C2OCCCO2)N[C@H](C)Cc2c(OC)ccc(OC)c21 963613608 VCNBCNRYFSLQCQ-CPJLOUKISA-N 441.524 3.480 0 1 IGAF COc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@]23C(=O)Oc2ccccc23)cc1 1772588004 JRVJWBIEGLGATJ-GKBBYZSKSA-N 426.472 3.429 0 1 IGAF COc1ccc(COc2cc(O)c3c(=O)cc(C)oc3c2[C@H]2CCN(C)C[C@H]2O)cc1 1772652679 JHGOGVCQYVNNGZ-FXAWDEMLSA-N 425.481 3.175 0 1 IGAF NC(=O)c1ccc(-c2cc(-c3ccc(S(=O)(=O)NC4CC4)cc3Cl)cnc2N)cc1 1857575822 WUUSJPRZNLOZPN-UHFFFAOYSA-N 442.928 3.191 0 1 IGAF Cc1cccc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3oc(=O)n(C)c3c2)c1C 1857587554 AREKXOZJCMAGAI-SFHVURJKSA-N 445.541 3.080 0 1 IGAF O=C(c1cc(Cc2nnc(O)c3ccccc23)cc(F)c1F)N1CCN(CC2CC2)CC1 1857758212 KWXWPGMPFMOVTP-UHFFFAOYSA-N 438.478 3.372 0 1 IGAF CCCCO[C@@]12C(=O)c3ccc(OC)c(OC)c3C(=O)N1CCc1cc3c(cc12)OCO3 2356588984 OJLHNHDUDBFJBQ-DEOSSOPVSA-N 439.464 3.297 0 1 IGAF Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccccn1)c1ccc(C(C)C)cc1 6577135 FFRYNKFCXCUBBF-UHFFFAOYSA-N 441.557 3.389 0 3 IGAF CCN1CCN(c2cc(C)c3cc(NC(=O)[C@@H]4COc5ccccc5O4)ccc3n2)CC1 3649953 CDPXXQUFYCHMLK-QHCPKHFHSA-N 432.524 3.464 0 1 IGAF CCCS(=O)(=O)N1CCC(c2ccccc2)([C@H](C)NC(=O)c2ccccc2N)CC1 40873969 YLUYQVCOILCLJP-SFHVURJKSA-N 429.586 3.161 0 1 IGAF COC(=O)CC[C@H](Sc1ccc(Cl)cc1)N1C(=O)[C@H](CC(C)C)N(C)S1(=O)=O 40877880 HKGFXXLINRYCML-HOTGVXAUSA-N 448.994 3.145 0 1 IGAF CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(S(=O)(=O)c1cccnc1)CC2 68248111 GGRRBUUAIYPJKH-UHFFFAOYSA-N 445.932 3.121 0 1 IGAF COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C)C(=O)OCCc3ccccn3)cs2)c1 82083870 GKSAKGKACTYAFF-AWEZNQCLSA-N 441.509 3.127 0 1 IGAF COc1cc([C@H]2OC[C@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@]32OC(C)=O)ccc1O 85911088 ZVILPMKYRJCFAE-YWQVJIEVSA-N 430.453 3.179 0 1 IGAF endogenous,in-man Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2CC2CCCCC2)c2cc(C(=O)O)ccc21 95559729 JUYKQIYPYPLVCM-QGZVFWFLSA-N 437.544 3.094 0 1 IGAF Cc1cc(N)nc(C)c1CNC(=O)c1c(C)c(C)n(S(=O)(=O)c2ccccc2)c1C 114078257 GXOARBSQHJYFIT-UHFFFAOYSA-N 426.542 3.174 0 1 IGAF O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)[C@@H](Oc2nc3ccccc3o2)C1 146328858 ZKRNNNAGQLCWNT-SFHVURJKSA-N 425.395 3.337 0 1 IGAF CNC(=O)c1ccc(-c2nccnc2C2CN(c3ncc4cc(F)ccc4n3)C2)cc1F 169701460 WYLIHYRUCMLVLP-UHFFFAOYSA-N 432.434 3.328 0 1 IGAF O=C(Nc1nc(O)cs1)[C@@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1 169723790 YLJFNAYXUPIYGC-KRWDZBQOSA-N 436.555 3.324 0 1 IGAF O=C(NCCN1C[C@H]2CC(n3c(=O)[nH]c4ccccc43)C[C@@H]2C1)c1cc2ccccc2[nH]1 299840904 WQIAHGPFPKAAQF-QZTJIDSGSA-N 429.524 3.124 0 1 IGAF O=C1COc2cc3[nH]c(CCC[S@@](=O)c4ccc(Br)cc4)nc3cc2N1 586957641 AIJKAGGCJJLISM-AREMUKBSSA-N 434.315 3.397 0 1 IGAF O=S(=O)(c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1)C(F)(F)F 587008695 NHILYVVJKLHHHU-UHFFFAOYSA-N 446.208 3.329 0 1 IGAF O=C(O)Cn1cc(I)c(-c2nc3c(F)c(F)c(Cl)cc3[nH]2)n1 587184551 BMFLUKKXWOMNDO-UHFFFAOYSA-N 438.559 3.047 0 1 IGAF NS(=O)(=O)c1cccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587185136 XRJPDJPDGIAFKS-UHFFFAOYSA-N 433.658 3.135 0 1 IGAF C=CC(=O)N1CC[C@@H](N=c2ccc(C(N)=O)c(Oc3ccc(Oc4ccccc4)cc3)[nH]2)C1 1857650904 MFATYZSMVUHWMA-QGZVFWFLSA-N 444.491 3.386 0 1 IGAF CC(=O)N1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4cncn4C)o3)C[C@@H]2C(C)C)CC1 2356696908 ZLFHPHAUZGEXDJ-PCCBWWKXSA-N 440.592 3.031 0 1 IGAF O=C(C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1)N1CCNCC1 36381432 QKLJLRGZFIWPLI-UHFFFAOYSA-N 435.391 3.221 0 3 IGAF Fc1ccc([C@@H]2C[C@H](N3CCN(CCN4CCNC4=S)CC3)c3ccc(F)cc32)cc1 26661367 AVOSQJJHXGCJIZ-GMAHTHKFSA-N 442.579 3.349 0 1 IGAF CCCCNC(=O)CC[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)NCCCC 49050301 UGXZNKTWFHKFEE-FQEVSTJZSA-N 447.601 3.100 0 1 IGAF Cn1c(=O)oc2cc(-c3cc(C(F)(F)F)nn3-c3ccc(S(C)(=O)=O)cc3)ccc21 58581162 AFUYMLYRCYBSPO-UHFFFAOYSA-N 437.399 3.407 0 1 IGAF O=S(=O)(NC[C@H]1CC[C@@H]2[C@@H](CN2Cc2cccc(-c3ccccn3)c2)O1)c1ccccc1 95797580 AZDNVLJOZOQLMI-NQHRYMMQSA-N 449.576 3.459 0 1 IGAF CC(C)N(C(=O)CN1C(=O)[C@H](N)C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 137185973 SNGMAIJHCWVIEO-DEOSSOPVSA-N 442.519 3.467 0 1 IGAF COc1cccc2c1[C@H]1CCN(CCCCN3C(=O)c4ccccc4S3(=O)=O)C[C@H]1C2 194875370 DDRLEZIXSWVAIO-MOPGFXCFSA-N 440.565 3.282 0 1 IGAF Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@@H]1CC[C@@H](O)CCO1 205635182 KCJBGIOCTZLHAV-YGRLFVJLSA-N 449.483 3.259 0 1 IGAF CCNC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ncnc(OCC4CC4)c3F)C2)cc1 261111431 IDERNRLYRDOAFW-KXBFYZLASA-N 443.523 3.442 0 1 IGAF CCN(CCCNC(=O)c1cc(=O)c2c(O)cc(OC)cc2o1)Cc1ccccc1OC 299858853 URFQTQWDKFSECR-UHFFFAOYSA-N 440.496 3.158 0 1 IGAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1O[C@@H]3OC(C)(C)O[C@@H]3[C@H]3OC(C)(C)O[C@H]31)CC2=O 587493718 VJYCLRZWIZOEAL-DZLVUEEJSA-N 434.485 3.075 0 1 IGAF O=C(O)CSc1ccc2c(c1)NC(=O)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605813 FELKOQGGBBLBOU-XXBNENTESA-N 449.440 3.378 0 1 IGAF CS(=O)(=O)c1cccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c1 587658510 SKLUEXHPNKDSLI-UHFFFAOYSA-N 440.427 3.434 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 587841552 RDOGBDZJIZXOPQ-JUPFADAESA-N 445.398 3.433 0 1 IGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(I)cnn1C 587871052 YAHNCCXQEJWQEC-UHFFFAOYSA-N 440.216 3.115 0 1 IGAF CC[C@@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3c(N)cccc3s2)CC1 653807554 MYRISMVFJAYNRM-INIZCTEOSA-N 440.602 3.248 0 1 IGAF CCS(=O)(=O)C[C@]1(c2ccccc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962656418 AOILWKWRAXQDFY-RPWUZVMVSA-N 438.549 3.012 0 1 IGAF COc1nn(C)c2nc(NC(C)C)nc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12 1772642135 UIISFIYGBCVPEJ-UHFFFAOYSA-N 445.332 3.300 0 1 IGAF NCc1cc(O[C@H]2CCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)nc(C(F)(F)F)c1 1857561192 DCGQVDFBDSTUML-AWEZNQCLSA-N 447.413 3.349 0 1 IGAF COCc1nnc(N2C[C@H]3C[C@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 1857579240 UYKVJQCPBDDIFD-ASSNKEHSSA-N 429.883 3.388 0 1 IGAF N=c1nc(N2CCC(N3Cc4ccccc4OC[C@@H]3Cc3ccc(Cl)cc3)CC2)[nH][nH]1 1911577669 TYNJYIOCKJBQLY-FQEVSTJZSA-N 438.963 3.345 0 1 IGAF CCC=CC=CC(=O)NC=CC[C@@H]1C[C@H]2C[C@@H](O)C[C@@H](Cc3cccc(O)c3C(=O)O1)O2 2356451653 MVOORUCGKRDJFW-DOIPELPJSA-N 441.524 3.315 0 1 IGAF COc1cc(=O)oc2c1[C@H](O[C@@H]1O[C@H](C)[C@H](C)c3oc(=O)cc(OC)c31)O[C@@H](C)[C@@H]2C 2356561614 CGCDOVOCJQXOOK-VZSDMBOQSA-N 434.441 3.369 0 1 IGAF Cc1oc(-c2cc3c(cc2Cl)OCO3)nc1CN1CCC[C@@H](C(=O)N2CCOCC2)C1 11818776 AGNZLEKQHABLKD-OAHLLOKOSA-N 447.919 3.103 0 3 IGAF Cc1cc2c(F)c(Oc3ncnn4cc(OCCCNS(C)(=O)=O)c(C)c34)ccc2[nH]1 3937947 SJTJWXRSXLQPEW-UHFFFAOYSA-N 447.492 3.077 0 1 IGAF COc1ccc(C(=O)N2CCN3C(=O)c4cc(-c5ccsc5)ccc4NC(=O)[C@@H]3C2)cc1 4236034 NZONOOSULAMWLQ-NRFANRHFSA-N 447.516 3.343 0 1 IGAF biogenic Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]3CCCc4ccccc43)cc2s1 8912559 SQIYMGJETWNVDJ-GOSISDBHSA-N 429.567 3.419 0 1 IGAF CC(C)(C)OC(=O)N1CCC(c2cc(O)n3ncc(C(=O)NC4CCCC4)c3n2)CC1 13118802 CDXMGMHJHWWLOO-UHFFFAOYSA-N 429.521 3.222 0 1 IGAF O=C(O)C[C@](O)(CSCCCCC[S@](=O)c1ccc(Cl)cc1Cl)C(=O)O 13758205 POIIQGILWYWXHQ-YHAMSUFESA-N 443.370 3.295 0 1 IGAF O=C1CC2(CCCC2)C[C@@H](O)N1OCCCN1CCN(c2nsc3ccccc23)CC1 13820862 BDMMVEQEGALIHG-HXUWFJFHSA-N 444.601 3.241 0 1 IGAF COc1cc2c(cc1OC)C(=O)N1C=C(c3ccc(OCCCN(C)C)cn3)C[C@H]1C=N2 49803737 YCGPZMGTDCPFMX-KRWDZBQOSA-N 436.512 3.401 0 1 IGAF COc1nc2c(cc1NCc1ccc(F)cc1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C 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COc1ccc(C(=O)[C@H]2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(OC)cc2OC)cc1 1795545 ZOFFNDGMQVFDHY-FCHUYYIVSA-N 449.459 3.457 0 1 IGAF CN1C[C@@H]2C[C@H]1CN2c1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c2c1F 13650287 OCPHEJSKKMHBEG-RYUDHWBXSA-N 447.388 3.138 0 1 IGAF Oc1ccc2c3c1O[C@H]1C4(CC[C@@]5(O)[C@@H](C2)N(CC2CC2)CC[C@]315)Oc1ccccc1O4 13734641 HJKPRFHQSGEUNO-ZBCONREDSA-N 433.504 3.124 0 1 IGAF CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO 13818725 SWDBTDNRUQLZFB-HARLFGEKSA-N 440.540 3.007 0 1 IGAF NCC(=O)NCCCN(c1ccc(=O)n(-c2ccccc2Cl)n1)c1ccccc1Cl 14961560 YQQSWNABYSVERP-UHFFFAOYSA-N 446.338 3.142 0 1 IGAF CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)[C@H](c1ccccc1)O2 14966289 BBUAFKOJRUKNLF-NRFANRHFSA-N 433.512 3.374 0 1 IGAF O=C(C[C@H]1CCCNC1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 27996108 OCQMLWAKDUESEF-CJAUYULYSA-N 439.003 3.457 0 1 IGAF COc1cc(CN2C=CC=C3C2=Nc2ccccc2S(=O)(=O)N3C)cc(OC)c1OC 28639004 HVDVSWXWSUTDGV-UHFFFAOYSA-N 441.509 3.290 0 1 IGAF C/C=C(\C)C(=O)O[C@H]1C[C@](C)(O)[C@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(=O)/C(C)=C/C)[C@H]12 33954861 BCRODGCGQKENCQ-WDJOZNPPSA-N 446.540 3.411 0 1 IGAF CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1OP(=O)(O)O 43202882 JNWFIPVDEINBAI-UHFFFAOYSA-N 444.384 3.020 0 1 IGAF CS(=O)(=O)Nc1ccc(OCC(=O)NCCCc2ccc(Cl)c(Cl)c2)cc1 45385678 HJWGMEHOJPIGHZ-UHFFFAOYSA-N 431.341 3.493 0 1 IGAF COCCNC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1cccc(C)c1 82147321 HIPYORGNZFKVLS-UHFFFAOYSA-N 436.512 3.458 0 1 IGAF COC(=O)c1ncn(C/C=C2/OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)n1 84728850 PLWWAHUDUYWZIE-XDHOZWIPSA-N 447.447 3.151 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1nccs1)CC31CCN(C)CC1 95865115 IUXWTLRUUCCBQT-IBGZPJMESA-N 426.586 3.156 0 1 IGAF Cc1cc(Nc2nc(O[C@@H](C)c3ncc(F)cc3F)c(F)c(N3CCOCC3)n2)n[nH]1 96269739 CIYADEJAXJTPOH-NSHDSACASA-N 435.410 3.041 0 1 IGAF O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(NC2CCOCC2)nc1C1CCCC1 101585381 WTLFXXIUVHGLEH-ZOHOMGEZSA-N 440.588 3.395 0 1 IGAF CCCCNc1ncc(C(=O)NC2CCN(C(C)C)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 103239246 CXDXWPGEWIRDBS-IZAXUBKRSA-N 432.613 3.007 0 1 IGAF CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2CN(c3nc(OC)cc(OC)n3)[C@H]2C1 261139850 MWACBRSAFUHLQD-AEFFLSMTSA-N 434.496 3.007 0 1 IGAF CS(=O)(=O)c1cccc(-c2nc3c(I)cnc(Cl)c3[nH]2)c1 586926292 NMNSHPIJBIVJBO-UHFFFAOYSA-N 433.658 3.286 0 1 IGAF CC[C@]1(c2c[nH]c(C(=O)N3CCOCC3)c2)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962626840 NFIJVMHKILLUBS-FYSMJZIKSA-N 427.545 3.034 0 1 IGAF O=S1(=O)CCN([C@@H]2CCCC[C@]23c2cccc(F)c2CCN3[C@H]2CCSC2)CC1 962709311 NMXZRRGYCFDTMD-WTOYTKOKSA-N 438.634 3.058 0 1 IGAF N[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1 1772612360 LICXNJHYTOUIGJ-HNNXBMFYSA-N 444.417 3.227 0 1 IGAF CC(C)CCC=CC=C[C@H](O)[C@H](C)[C@H](CC=C[C@@H]1OC(=O)CC[C@@H]1O)OP(=O)(O)O 2356808350 YRXGCLPGKUCVRQ-HVTWWXFQSA-N 446.477 3.023 0 1 IGAF COc1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](OC(=O)Nc5ccccc5)CO[C@H]43)n2)cc1 2356824619 GWNZPUMWZODYJM-CLAROIROSA-N 448.479 3.348 0 1 IGAF Cc1c(OCc2nnnn2C2CCCCC2)ccc2c(=O)cc(N3CCOCC3)oc12 604182 XLHMEHJJNRTJMA-UHFFFAOYSA-N 425.489 3.009 0 1 IGAF Cc1ccc(CC(=O)N2CCC(c3nc(O)c4nnn(Cc5ccccc5)c4n3)CC2)cc1 12467642 BWBPECUOWNZSOD-UHFFFAOYSA-N 442.523 3.232 0 1 IGAF CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3ccccc3c1CCCN(C)C)C(=O)N2 13588496 KTYTWMGAQQNNDY-RGEXLXHISA-N 438.553 3.063 0 1 IGAF COc1cc(OC)nc(O[C@@H](C(=O)O)C(OC)(c2ccc(F)cc2)c2ccc(F)cc2)n1 13756023 FTHTWZGSLVJZJB-IBGZPJMESA-N 446.406 3.194 0 1 IGAF COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NCc3ccc5c(c3)OCO5)C4)c2n1 28817430 SMQFKGRTTJNMAK-QGZVFWFLSA-N 429.480 3.200 0 1 IGAF CCOCC(=O)N[C@H](Cc1c[nH]c2ccccc12)CN(Cc1ccccc1OC)C(C)=O 29395040 RXPUNYWZUXXVCS-OAQYLSRUSA-N 437.540 3.289 0 1 IGAF COC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82084666 ROAJQSMASPMYBQ-QGZVFWFLSA-N 440.477 3.275 0 1 IGAF O=C(c1cccnc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 95871485 OHGDZNWQBVURKC-IAODFKHLSA-N 439.515 3.063 0 1 IGAF COc1cccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3C(=O)c2cccc(F)c2)c1 95893361 ZLKHGMAGHUAVMQ-SMIHKQSGSA-N 446.478 3.464 0 1 IGAF O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1cccc(F)c1 95893376 IAPUXUNBKXCJPI-VSKRKVRLSA-N 432.455 3.242 0 1 IGAF Cc1cc(C(=O)NC2CC2)ccc1N1CCN(Cc2cc(C)c3c(c2)NC(=O)[C@@H](C)O3)CC1 96274108 FTXDIDQGGXAUGE-GOSISDBHSA-N 448.567 3.237 0 1 IGAF COc1cc2c(c(OC)c1)C(=O)N(c1ccc3nc(NC(=O)C4CC4)sc3c1)C(=O)C2 96929792 PYXNEALOAHLRIH-UHFFFAOYSA-N 437.477 3.392 0 1 IGAF O=c1[nH]c(Cc2ccccc2-n2cc(C(F)(F)F)cn2)nc2c1cnn2C1CCOCC1 169699893 LWISLQINWWVBFQ-UHFFFAOYSA-N 444.417 3.266 0 1 IGAF CNc1nc(Nc2cc(F)c(C(=O)N(C)CCOC)cc2OC)ncc1C(F)(F)F 169705195 HQYLOFIGSSEJDK-UHFFFAOYSA-N 431.390 3.147 0 1 IGAF COc1cccc(NC(=O)[C@@H]2C[C@@H]3C[C@H]3N2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 205048446 PGJSYZRUDFHSSL-SVIJTADQSA-N 433.468 3.210 0 1 IGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccc4nnn(C)c4c3)c2cn1)c1ccccc1 261190160 YVIKUBORNQXRBY-LJQANCHMSA-N 442.483 3.416 0 1 IGAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(Br)ccnc4[nH]3)c2)o1 586923600 RNSCGFTXCWGXPT-UHFFFAOYSA-N 448.302 3.307 0 1 IGAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 586947388 XMBPTKVONNSURT-GFCCVEGCSA-N 426.420 3.101 0 1 IGAF Cc1csc([C@@](O)(Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)C(F)(F)F)n1 587093830 HGBTUONGXPCTGN-SFHVURJKSA-N 425.480 3.072 0 1 IGAF CC[C@H](C)n1ncc(I)c1-c1nc2cc3c(cc2[nH]1)NC(=O)CO3 587181441 QUBSMOUBLDDBHH-QMMMGPOBSA-N 437.241 3.333 0 1 IGAF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H](N)C5CC5)[nH]c4c3)cc2)CC1 587255382 GBZHZGKAOBZSKF-HSZRJFAPSA-N 432.572 3.015 0 1 IGAF COC(=O)/C=C1\CC[C@H]2[C@@H](C(=O)C[C@@H]3[C@]2(C)CC[C@H](OC(C)=O)[C@]3(C)C(=O)OC)[C@H]1C 1772609504 PREKIJUWVOSHEJ-AICQWWQLSA-N 434.529 3.248 0 1 IGAF C[C@@H](C1=Nc2ccccc2S(=O)(=O)N1c1ccc(F)cc1)n1cnc2c(N)ncnc21 1857534045 MEDBWGCIKDUFTE-LBPRGKRZSA-N 437.460 3.048 0 1 IGAF CC1=C[C@@H]2[C@@H]3[C@H](CC(=O)[C@]24C(=O)N[C@H](Cc2ccccc2)[C@@H]4[C@H]1C)[C@H]1C[C@@H](CO)C[C@@]3(C)O1 2356324746 KHBULQQPPABKJS-QFITYTQXSA-N 449.591 3.307 0 1 IGAF CC=CC=Cc1cc(=O)c2c(o1)O[C@]1(C)CC[C@@]3(O)C(C)(C)[C@@]4(O)CC[C@@]3(CO4)[C@H]1[C@@H]2O 2356684237 LFPBILWIIIPSMS-FAAREUIBSA-N 444.524 3.080 0 1 IGAF C/C=C/C(=O)N[C@H]1CCc2cc(OC)c(OC)c(OC)c2-c2ccc(OC)c(=O)cc21 2021094 MWTHYSKRFACTTJ-LXXRFIIISA-N 425.481 3.428 0 1 IGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NC[C@@H](O)CC)cc1 4151946 BWAXZGFVLOSSBB-HYVJGQCMSA-N 426.513 3.463 0 1 IGAF O=C(O)C[C@@](O)(CSCCCCC[S@@](=O)c1ccc(Cl)cc1Cl)C(=O)O 13758199 POIIQGILWYWXHQ-DXPJPUQTSA-N 443.370 3.295 0 1 IGAF CCCCOC(=O)C(=O)[C@H](CC)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 27095993 YBCYKWLFCIPEMH-RBUKOAKNSA-N 434.533 3.135 0 1 IGAF CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2cnc3ccccc32)CC1 27984581 OKEMDJJYISFOKH-UHFFFAOYSA-N 434.540 3.487 0 1 IGAF O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 55182964 WHPOYCZVXPMBEU-JOCHJYFZSA-N 439.531 3.300 0 1 IGAF COc1ccc(CNc2nc(N3CCC[C@@H](CO)C3)nc3cc(OC)c(OC)cc23)cc1 82126044 RKWJLTVOCFCQGE-QGZVFWFLSA-N 438.528 3.476 0 1 IGAF CNCOc1ccc(CC[C@@H](O)CC(=O)CCc2ccc(O)c(OC)c2)c2c1OCCC2 85626715 VFEFASMRBDYFGN-HXUWFJFHSA-N 443.540 3.167 0 1 IGAF biogenic,in-vitro O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@@H](CCNC(=O)C2CCCCC2)O[C@H]1CO 95905292 OMZADXYEQUCDQV-ZCNNSNEGSA-N 437.968 3.457 0 1 IGAF O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@H]1CO 95907170 MUASOPIRAYEFMY-UXPWSPDFSA-N 449.910 3.329 0 1 IGAF Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(CCC(=O)O)nc5)n4)CCC3)cn2)cn1 96175419 GHUVKIKONHWSRO-UHFFFAOYSA-N 443.467 3.053 0 1 IGAF C[C@H]1CN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CCN1 147077544 ZJASKMZRNIQJAD-HNNXBMFYSA-N 429.532 3.426 0 1 IGAF CCc1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN3CCCC3)n2)on1 166981490 WOEUSASDPVJZHL-UHFFFAOYSA-N 438.536 3.458 0 1 IGAF C[C@H]1CN(c2nc(N3CCOC[C@H]3C)c3[nH]c(-c4cccc5[nH]ccc45)nc3n2)C[C@@H](C)O1 207251177 XNMHYGINBQNSOX-OAGGEKHMSA-N 447.543 3.340 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(OC(F)(F)F)cc1F 221910453 KPRPSTUXEKHBOA-IMSIIYSGSA-N 430.358 3.393 0 1 IGAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@@H]3[C@H](O)[C@]21C 504664278 MWPMSHAXOHRZSG-UWJJGNMHSA-N 439.596 3.341 0 1 IGAF biogenic CC1=C[C@]2(CC(=O)N1[C@@H](C)C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587344077 VWNDZGHRPIIWDX-GPZKINBFSA-N 425.412 3.238 0 1 IGAF Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)n3ncc4ccc(Cl)cc4c3=O)C2)cc1 587654141 ISUSXZQHMMSUSN-INIZCTEOSA-N 445.928 3.099 0 1 IGAF C[C@@H]1CN(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C[C@@H](C)O1 587656237 HRHLPZGLKAEPBQ-HUUCEWRRSA-N 427.451 3.481 0 1 IGAF Cc1cc(Nc2nn(CCF)c3ccc(S(=O)(=O)N4CCOCC4)cc23)ccc1F 1911570613 PAGPWHGHSQWEKA-UHFFFAOYSA-N 436.484 3.218 0 1 IGAF COc1ccccc1C(=O)N[C@@H]1c2ccccc2C2(CCN(Cc3cccnc3)CC2)[C@H]1O 11786287 JNPJGSDRMMTVAV-RPBOFIJWSA-N 443.547 3.470 0 1 IGAF COc1ccc([C@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@H]2COC(C)=O)cc1OC 13400211 UQRCZVRHEJVEMI-AZUAARDMSA-N 442.420 3.263 0 1 IGAF biogenic O=C(NC[C@H](O)c1ccccc1)c1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nn1 43203063 RSPGODWWHKNLIZ-QFIPXVFZSA-N 448.498 3.178 0 1 IGAF Cc1c2c(n3c1CC(=O)N(C)CC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 71334617 IZSWZDNSNKSQPS-AWEZNQCLSA-N 436.556 3.245 0 1 IGAF CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@H]4NC[C@@H]4C3)c2c1Cl 95587982 JVBZZZXIXXRWOJ-QMTHXVAHSA-N 438.948 3.071 0 1 IGAF C/C=C/c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)C1CCCCC1)O2 95703320 WTCHHFMVAYUPLM-HNWNERKASA-N 443.588 3.374 0 1 IGAF CCSc1nnc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)s1 100705099 OTZYMCCTEBATCI-UHFFFAOYSA-N 432.556 3.473 0 1 IGAF CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCCO 169695350 ILSPJTCPWPUOPY-VXKWHMMOSA-N 448.475 3.211 0 1 IGAF N[C@@H]1CCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2Br)C1 205255233 OJUHXQHKLKXSGG-CYBMUJFWSA-N 436.317 3.382 0 1 IGAF C[C@H](O)[C@H]1COC(=O)N1c1ccnc(N[C@H](C)c2nc(-c3ccc(Cl)cc3)no2)n1 221663508 HUKBLSVUBDBPMC-UHIISALHSA-N 430.852 3.059 0 1 IGAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@H](O)C2)c(-c2cncnc2)c1 224350807 LARFZNXVNANWFD-INIZCTEOSA-N 445.401 3.261 0 1 IGAF CN1CCN(c2ccc3nc(Cc4csc(NC(=O)c5cccc(O)c5)n4)[nH]c3c2)CC1 587019873 RKLVENGKUOEHEM-UHFFFAOYSA-N 448.552 3.320 0 1 IGAF O=C(O)Cn1cc(I)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)n1 587185523 KRYWNQUDDNVTHI-UHFFFAOYSA-N 437.024 3.422 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)N(Cc2cccs2)C[C@H]1C(=O)OCC 587495148 PGBWXMNNUKTSJM-SBUREZEXSA-N 443.521 3.332 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N1CCCc3cc(C(=O)O)cc2c31 587793185 QPVPPTWWYIWSPN-CHNSCGDPSA-N 445.288 3.357 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CS(=O)(=O)N(C)c3ccccc32)N1 587844039 LPRAMEAZYNMBFS-BBATYDOGSA-N 425.323 3.146 0 1 IGAF COc1cc(CN(C)[C@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O 1772585396 BSNWZBYWVSWGSR-QGZVFWFLSA-N 438.524 3.351 0 1 IGAF CCCCOC(=O)C1=C(C)CS[C@@H]2[C@H](NC(=O)CCc3ccc(Cl)cc3)C(=O)N12 1857600843 CPDLVJFHHYPLAN-YLJYHZDGSA-N 436.961 3.290 0 1 IGAF CC[C@H](C)C[C@H](C)C(=O)O[C@]1(C)C(=O)c2c(cc(O)c3c2C[C@H](O)C[C@H]3C)[C@@](C)(O)C1=O 2356719907 LCCGEVUWWBLMGC-UVEKQNJASA-N 446.540 3.150 0 1 IGAF O=c1ccc(-n2ccnc2)nn1CCCCCCN1CCN(c2ccccc2Cl)CC1 13475447 QTZVQJWECQHFRT-UHFFFAOYSA-N 440.979 3.465 0 1 IGAF O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCN(CC2CC2)CC1 28570220 KXDRLFHCQVYWMZ-UHFFFAOYSA-N 434.515 3.211 0 1 IGAF Cc1cc(N2C[C@@H](C)N[C@H](C)C2)c2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCO2 28948489 KBGCRLAPUXASJS-HZPDHXFCSA-N 435.977 3.423 0 1 IGAF O=c1[nH]c2c(O)ccc(CCNCCCSCCOCCc3ccccn3)c2s1 40475209 MKDMLTIBBAPWDS-UHFFFAOYSA-N 433.599 3.205 0 1 IGAF O=C(Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ncc([C@H](O)CO)cc2Cl)CC1 43200368 WXHAAPYWRLXSPO-MRXNPFEDSA-N 444.841 3.134 0 1 IGAF COCC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5o4)c3)cn2)CC1 53243494 AFCJQVSLDHWRJB-UHFFFAOYSA-N 432.484 3.145 0 1 IGAF COc1ccc(OCC(=O)N2CCC3(CC2)CN(Cc2ccc(-n4cccn4)cc2)C3)cc1 84687114 RJRLHHFDUWHJMV-UHFFFAOYSA-N 446.551 3.384 0 1 IGAF O=C(C[C@H]1CC[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 95866613 BUXNMIFPDSBWFP-WXFUMESZSA-N 445.519 3.416 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(C)=O)CC31CN(Cc2ccccc2Cl)C1 95867532 SBRYGAAXAGMYJH-OAQYLSRUSA-N 439.943 3.479 0 1 IGAF O=C(N[C@H]1CCC[C@H](CO)C1)C1CCN(c2nc3cc(Br)ccc3o2)CC1 96271078 GZWCULADQWVOPR-BBRMVZONSA-N 436.350 3.474 0 1 IGAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cnc(SC)n1Nc1ccccc1 103216225 TUCONRIXYFPWPE-UHFFFAOYSA-N 428.514 3.061 0 1 IGAF Cc1nc(-c2cccc(-n3ncc4cc(C(C)(C)C)ccc4c3=O)c2CO)oc1C(N)=O 143473783 ZUKTUJPEUZCFTB-UHFFFAOYSA-N 432.480 3.238 0 1 IGAF CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1 169720542 DVDWCCPTANZWGZ-KCZVDYSFSA-N 435.549 3.464 0 1 IGAF CC(C)Oc1ccc(Nc2ncc(C(=O)NN)c(=O)n2Cc2ccc(Cl)cc2)cc1F 204092303 USIVTWSMDODPLL-UHFFFAOYSA-N 445.882 3.218 0 1 IGAF O=C(/C=C/c1ccc(F)cc1)N1CCN(S(=O)(=O)C2=Cc3ccccc3CC2)CC1 206369965 QMQWSXVJKRGTCR-KPKJPENVSA-N 426.513 3.300 0 1 IGAF CC1=CC(=O)O[C@H]1CC[C@@]1(C)O[C@@]2(CC(C)C)O[C@H]3C[C@H](C)[C@H]4C(=O)[C@@H]1[C@]2(O)[C@H](C)[C@@H]34 206809639 VGGDLZPNGMJOKK-GSSYYUHJSA-N 432.557 3.407 0 1 IGAF CCCS(=O)(=O)N[C@@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218792959 SRPWJWSJOXIUHJ-TYQZJNGASA-N 448.629 3.331 0 1 IGAF CC(=O)S[C@@H]1C=CCC(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O[C@H](C)C[C@H]2O[C@@H]21 253651344 QPSQEKVZSZTXIO-GORNIQHMSA-N 440.901 3.174 0 1 IGAF O=C1NCN(c2ccccc2)C12CCN([C@H]1CC3(CCOCC3)Oc3ccccc31)CC2 473123168 KTKYYMUCFKMBNP-QFIPXVFZSA-N 433.552 3.488 0 1 IGAF CC(=O)N[C@H](Cc1nc2ccc(C(=O)N(C)C)cc2[nH]1)c1ccc(Br)cc1 586986055 VAZFZSALRBPRJE-QGZVFWFLSA-N 429.318 3.447 0 1 IGAF COCCN1C(=O)CC[C@H](c2nc3c(O)nc(S)nc3[nH]2)[C@H]1c1ccccc1Cl 587062097 BPWBZKUSESFPOZ-XHDPSFHLSA-N 433.921 3.094 0 1 IGAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc4nc(C)ccc4c3[nH]2)c1 587230216 GLDARRHPNVBMRY-UHFFFAOYSA-N 431.496 3.367 0 1 IGAF CN[C@@H](C)C(=O)Nc1cc(-c2c(C)ccc3ncccc23)cc(NC(=O)c2cccnn2)n1 1772631155 HIXKOIASPWPFDI-HNNXBMFYSA-N 441.495 3.194 0 1 IGAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)c3ccc(F)cc3)CC2)cs1 2356772767 IAXXDJOTPPCBBK-SFHVURJKSA-N 433.549 3.017 0 1 IGAF COc1ccc(OC)c(S(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc3C2)c1 22907227 SALAGFVAPQTVLN-HXUWFJFHSA-N 442.537 3.375 0 3 IGAF O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc(Br)ccc1F 4054922 SVZIUALITLJEEQ-DOTOQJQBSA-N 441.684 3.442 0 1 IGAF COC(=O)c1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2ccc4c(c2)OCCO4)C3)nc1 11971359 WKMNXRZITJLVGC-GOSISDBHSA-N 446.459 3.040 0 1 IGAF CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccc4)c(C)c23)c1 14974234 LOVKXHMIRFCDPP-UHFFFAOYSA-N 444.495 3.311 0 1 IGAF CN(C)C1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2)CC1 29337545 WXJGLUVERIDFRA-UHFFFAOYSA-N 427.451 3.498 0 1 IGAF C[C@@H](CO)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2)cc(C(=O)Nc2ccn[nH]2)c1 38210420 KIPZZZALTNYLEP-HNNXBMFYSA-N 436.468 3.060 0 1 IGAF CCCCNc1ncc(C(=O)NCCCOC)c(-c2cc(OC)c(OC)c(OC)c2)n1 82143167 VVDADWJEIVDVRJ-UHFFFAOYSA-N 432.521 3.148 0 1 IGAF COc1cc(N2CCCNCC2)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1 95553839 WZHFBTOHDLSCOL-UHFFFAOYSA-N 436.560 3.409 0 1 IGAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@@H](C)c3ccccc3)[C@H]2N1CC1CC1 95880227 HWDXJZFTBKIHHT-LDOCRPFFSA-N 447.579 3.132 0 1 IGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1noc(=O)[nH]1)(C3)C2 101095879 BQNOGCJLFJZJQU-VTRDWUKWSA-N 431.920 3.436 0 1 IGAF CNC(=O)CCCCc1ccc(C(=O)Nc2sc(-c3ccncc3)nc2C(N)=O)cc1 149959693 HCQXSCFIAHRRAF-UHFFFAOYSA-N 437.525 3.015 0 1 IGAF Cl[B-]12n3c4c5ccccc5c3N=c3c5ccccc5c(n31)=NC1=[N+]2C(=N4)c2ccccc21 197382048 VMCAOQCUJYBTFG-UHFFFAOYSA-N 430.667 3.429 0 1 IGAF in-vitro COC(=O)[C@@H](NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3)C(C)C 214566966 RWMMCDPDRMGRQF-ZHRRBRCNSA-N 437.540 3.475 0 1 IGAF COc1ccc(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)cc1C#N 220256392 MKPZIIPTMFMOCV-UHFFFAOYSA-N 428.495 3.355 0 1 IGAF Cc1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(CO)C2)n[nH]1 224343834 ZRWVDFCHVMJKAL-UHFFFAOYSA-N 447.417 3.360 0 1 IGAF CC1=N[C@H](CC(C)C)C(=O)N(CC(=O)NCCc2ccccc2)c2cc(C(=O)O)ccc21 473152698 VKQGGQPMYHNXSL-OAQYLSRUSA-N 435.524 3.314 0 1 IGAF CNC(=O)N1N=C(c2ccc(N)c(Br)c2)c2cc3c(cc2C[C@H]1C)OCO3 584905609 OZUDBWJNUXUTGY-SNVBAGLBSA-N 431.290 3.098 0 1 IGAF in-vitro CCOC(=O)C(C(=O)OCC)[C@@]1(CCC(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 587381985 LUMKQDQRGBQACC-LJQANCHMSA-N 431.407 3.366 0 1 IGAF COC(=O)c1cc(-n2c(OC)cc(C(=O)OC)c2OC)c(Cl)cc1Br 587935446 ADNNUHJZZMIYJW-UHFFFAOYSA-N 432.654 3.484 0 1 IGAF COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cnc3cc(Br)ccc3c2)c1OC 587941327 VGJYZJZEWUXZQD-AWEZNQCLSA-N 449.257 3.234 0 1 IGAF Cn1c(SCCCN2C[C@@H]3CCN(c4ccc(F)cc4)[C@@H]3C2)nnc1-c1cnccn1 653728090 OACVKINMDRORAI-OXJNMPFZSA-N 439.564 3.104 0 1 IGAF Cn1cccc1C(=O)N[C@H]1C[C@@H]2C(=O)Nc3ccc(C=Cc4ccccc4)cc3C(=O)N2C1 2356315978 SLCBWGVGVVUKJJ-WMZHIEFXSA-N 440.503 3.161 0 1 IGAF CCNC[C@](O)(CCCCC[C@@H]1CC[C@H]2C[C@H]1CC[C@@]21CC[C@@H](O)[C@H](C)N1)CC(=O)O 2356387108 HUWYQTFAKWTNMD-HMSJMEEOSA-N 438.653 3.450 0 1 IGAF C/C=C(\C)C(=O)NCCN1C2=NC[C@@H](Cc3ccccc3)N2C[C@@H]1Cc1ccc(OC)cc1 12727117 SRVIMZJNCBNYKP-XDPOPXRSSA-N 446.595 3.287 0 3 IGAF C[C@H](O)[C@@H]1C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1N(C)Cc1ccc2c(c1)OCO2 61924218 CFNBSJDMYAEBMY-HOOUFKQNSA-N 447.535 3.224 0 3 IGAF O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)c1cccs1 1057828 KMVQWJNMUDCRIJ-BZUPMSHVSA-N 440.908 3.449 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)N(C)C 4204555 OZOQORKFCDYTSS-UYAOXDASSA-N 428.485 3.291 0 1 IGAF O=C(O)Cc1nn(Cc2noc(-c3ccccc3C(F)(F)F)n2)c(=O)c2ccccc12 13449050 ZOWZXIMUMZOCHJ-UHFFFAOYSA-N 430.342 3.141 0 1 IGAF COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H]([C@H](C)N2CCCC2)C1 13863717 ONEIDYFRAIKBGR-KBXCAEBGSA-N 428.360 3.299 0 1 IGAF COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H](c2ccc(C)cc2)C(C#N)(C#N)[C@H]1c1ccc(C)cc1 19940250 RCYDOYBLNPYQIY-LRSLUSHPSA-N 444.487 3.366 0 1 IGAF C[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C[C@@H](C)N1 32016648 CTWGYQIEMLEBCD-TXEJJXNPSA-N 431.414 3.293 0 1 IGAF COc1ccc([C@@H](CC(=O)O)Cc2cc(OCCc3ccc4c(n3)NCCC4)no2)cn1 36269253 QHSKOAKVMQHGPS-QGZVFWFLSA-N 438.484 3.254 0 1 IGAF COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)Nc2ccc(C)cc2)cc1OC 40407210 LIAOTEQQTPWSMG-NUCSPZLJSA-N 426.469 3.014 0 1 IGAF C[C@@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2ccc(F)c(Cl)c2)C1 95579803 RPQPNGLFYHFUKB-LBPRGKRZSA-N 447.898 3.088 0 1 IGAF CCn1c([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)nc2ccc(S(C)(=O)=O)cc21 144498723 GHJHGZKWKLQQOO-GFCCVEGCSA-N 441.962 3.153 0 1 IGAF O=C(c1cnc(Oc2ccc3c(c2)CC[C@H](c2ccccc2)O3)s1)N(CCO)CCO 145610099 PKMOKNVCGMFVNM-LJQANCHMSA-N 440.521 3.429 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@H]4NC(C(=O)OCC(C)C)=C(C)[C@@H]4C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169305555 LCIWAGQFSNMYED-FGRHCTHGSA-N 438.568 3.035 0 1 IGAF CCOC(=O)C1=C(Cn2ccnc2)N=C(C)[C@@H](C(=O)OC)[C@H]1c1ccccc1OC(F)F 169712715 NCMOAYIUGGKZPF-QZTJIDSGSA-N 447.438 3.349 0 1 IGAF CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 212166344 IIYRIHPYMLIPSG-VBKZILBWSA-N 444.532 3.217 0 1 IGAF C[C@@H](Nc1nccc(N2C(=O)OC[C@H]2[C@@H](C)O)n1)c1noc(-c2ccc(Cl)cc2)n1 217383205 HQFBCUBMPLPKFP-GYSYKLTISA-N 430.852 3.059 0 1 IGAF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NC[C@@H]3CCCO3)[nH]c12 222325008 KRXIFMMLFBLGDN-KRWDZBQOSA-N 431.500 3.319 0 1 IGAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@H](CNc4ccccc4)[C@H](CC[C@@H]21)[C@H]3O 299833517 YIISYPLNQSIPLQ-VQCJMPGPSA-N 425.569 3.447 0 1 IGAF CC(C)c1ccccc1N1CCN(CCCCCCC(=O)N2CCC[C@H]2C(N)=O)CC1 299871598 YUJWBAAPFDUVFJ-QHCPKHFHSA-N 428.621 3.359 0 1 IGAF Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3c(C)nccc3[nH]2)cc1 586952822 MHHVBELSVFZXLH-KRWDZBQOSA-N 445.545 3.119 0 1 IGAF CC1=C(c2ccc3nc(-c4cc5n(n4)[C@@H](C(F)(F)F)C[C@H](C)N5)[nH]c3c2)NNC(=O)C1 587123820 KBHHZLGRKHMCAD-ZUZCIYMTSA-N 431.422 3.489 0 1 IGAF Nc1ccnc2[nH]c(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc12 587173448 VYAQZPYXILLORP-ZDUSSCGKSA-N 447.518 3.314 0 1 IGAF CCOC(=O)[C@]1(c2cc(OC)ccc2OC)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962618856 CKVUXGHKDNENLO-OWJWWREXSA-N 429.513 3.404 0 1 IGAF CN1C=C(OCc2cccc(Cl)c2)[C@@]2(C=C1C(=O)O)NCCc1nc3ccccn3c12 962983668 LXADJONDNITRNH-HSZRJFAPSA-N 436.899 3.301 0 1 IGAF Cc1cccc2c1[C@]1(C[C@@H]3CNC(=O)C[C@@H]3C1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963842207 VOBALQYSZRTDIY-RTPKDJLFSA-N 428.529 3.373 0 1 IGAF NC1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2cncnc2)C1 1772604846 YQCHJORSBGANNU-UHFFFAOYSA-N 446.845 3.106 0 1 IGAF Cc1cccc(CN2CCn3cc(-c4nc(Nc5ccnn5C)ncc4C)cc3C2=O)n1 1772605520 KZNKCUQAIPNSJI-UHFFFAOYSA-N 428.500 3.090 0 1 IGAF Cc1cc2c(-c3cnc(N)c(C(=O)Nc4ncccc4N4CCC(N)CC4)n3)cccc2[nH]1 1772608034 AODINEOJAWVRMB-UHFFFAOYSA-N 442.527 3.090 0 1 IGAF CC(C)=C[C@@H]1O[C@](C)(CC=C2OC(=O)C=C2C)[C@@H]2C(=O)[C@]3(O)[C@H](C)CC[C@@H]3[C@@H](C)[C@]12O 2356413871 BJVHHRYNUDCZAB-FRTPJCLGSA-N 430.541 3.231 0 1 IGAF COC(=O)C1=C(c2ccc(S(C)(=O)=O)cc2)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(C)CC1 12479627 OIDIVTUHJXBJRN-FXAWDEMLSA-N 446.569 3.105 0 3 IGAF COc1cc(O)c([C@@H](CC(=O)N2C[C@H](C)O[C@H](C)C2)c2ccc3c(c2)OCO3)c(OC)c1 95584597 PLNPXYQHYDMAGY-DAYGRLMNSA-N 443.496 3.296 0 3 IGAF CC(=O)N[C@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 4051832 CIILRPTZCQSRSC-LRQRDZAKSA-N 429.879 3.308 0 1 IGAF COC[C@@H](Cc1cc(OC)c2c(c1)OCO2)[C@H](COC)Cc1cc(OC)c(O)c(OC)c1 14616693 RYZNPFYAGDHZDT-ZWKOTPCHSA-N 448.512 3.457 0 1 IGAF biogenic C[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccc(-c2ccccn2)s1 43072851 CJQQPTGISRZFIO-MRXNPFEDSA-N 427.551 3.345 0 1 IGAF CC(=O)N1CCN(C(=O)c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2)CC1 82133286 SEYFQKCZHZMGRC-UHFFFAOYSA-N 447.514 3.242 0 1 IGAF Cc1ncsc1CCn1c(=O)c(NCC(C)C)c2n(c1=O)[C@H](c1ccccc1)CN2 82209322 OQVHUCTUBDCDEL-KRWDZBQOSA-N 425.558 3.100 0 1 IGAF CCO[C@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2C(=O)OC[C@@H]12)OCO3 85531545 STGBBEULPHACPI-JAPHVTHTSA-N 442.464 3.453 0 1 IGAF biogenic,in-vitro CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](CO)C4)n3)cc2)CC1 115622487 KOYIAVBFPLUQNY-SFHVURJKSA-N 447.583 3.013 0 1 IGAF CCOC(=O)[C@H](Cc1ccc2ccc(C(N)N)cc2c1)c1ccc(O[C@H]2CCNC2)cc1 206923899 LOYXUXZQQVEADT-BJKOFHAPSA-N 433.552 3.386 0 1 IGAF in-vivo COc1ccc([C@@]23OC[C@@H](Cc4cc(OC)c(OC)cc42)[C@H]3COC(C)=O)cc1OC 254143314 GVZPMSFHNAIPPW-SWWFSWNPSA-N 428.481 3.346 0 1 IGAF CN(C)S(=O)(=O)CCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586929871 BUPPEHBWNVPYJL-UHFFFAOYSA-N 438.347 3.338 0 1 IGAF COC(=O)c1cc2[nH]c(-c3sccc3S(=O)(=O)Nc3cccnc3)nc2cc1OC 586953669 PWRINVNGBXJCFJ-UHFFFAOYSA-N 444.494 3.282 0 1 IGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cccc(S(N)(=O)=O)c3[nH]1)N2 587030817 IWWZUEXYHFJNPM-BNDQCTAISA-N 449.583 3.337 0 1 IGAF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(C(N)=O)cc3[nH]2)CC1 587092843 ZYIZZSBDABEJGI-UHFFFAOYSA-N 442.438 3.467 0 1 IGAF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)c1 587155986 KGGWLZHEKZFXEZ-UHFFFAOYSA-N 435.444 3.146 0 1 IGAF N[C@@H](N=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)[nH]c2c1 587169945 LQWOVFQOUQXEDH-PMACEKPBSA-N 439.472 3.494 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@H]1c1ccc(O)cc1 587413064 PNRRYJSAFVVEGL-BJKOFHAPSA-N 433.416 3.415 0 1 IGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)N3CC(F)(F)C3)c2cn1)c1ccc(F)cc1 1772592918 BZNUGPGTGAHALM-SNVBAGLBSA-N 433.394 3.463 0 1 IGAF CC(=O)Nc1nc(C)c(-c2cc3c(c(NS(C)(=O)=O)c2)C(=O)N([C@@H](C)C2CC2)C3)s1 1857752101 RMZMULPZUXWJGE-NSHDSACASA-N 448.570 3.203 0 1 IGAF COc1cc2ncnc(Oc3ccc(NC(=O)Cn4nnc(C(C)C)n4)cc3)c2cc1OC 1857754795 PIPIFAMKINBWQK-UHFFFAOYSA-N 449.471 3.188 0 1 IGAF CC(C)(C)NC(=O)[C@@H](c1ccccn1)N(C(=O)[C@H]1CSC(=O)C1)c1ccccc1F 13086233 JZOPEMBVMHINIY-AUUYWEPGSA-N 429.517 3.489 0 3 IGAF COC(=O)c1ccc2c(=O)[nH]c(COC(=O)CCC(=O)c3ccc(Cl)cc3)nc2c1 36383265 SOPWAIWKUHNEBU-UHFFFAOYSA-N 428.828 3.069 0 3 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)NC[C@@H]1C 95688099 BCNSWJISNLDVIF-HOIFWPIMSA-N 425.529 3.033 0 3 IGAF Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](CC(=O)NCCO)c1nnc(C)n1-2 1546094 DHJBCEVAMQVGRX-MRXNPFEDSA-N 443.960 3.298 0 1 IGAF CN1C(=O)[C@H](NC(=O)Nc2cccc(C(=O)O)c2)N=C(c2ccccc2)c2ccccc21 3795082 BQXGDXMVEHGGNW-NRFANRHFSA-N 428.448 3.346 0 1 IGAF Cn1c(C(F)(F)F)nc2c1CCN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)C2(C)C 28956769 PLSYXABTXUQMPK-LLVKDONJSA-N 448.411 3.436 0 1 IGAF CCCNC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC(=O)N3CCCCC3)[C@H](O)CC[C@@H]2[C@]1(C)CO 43553867 ZWQLBFGGCAPBOK-BXAZWGAJSA-N 438.609 3.080 0 1 IGAF biogenic CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(Cc4ccccc4)CC3)c(F)c21 66251503 NEPQUSKAEYRYJK-UHFFFAOYSA-N 427.451 3.320 0 1 IGAF CC(C)c1ccc(/C=C/C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NCCO)cc1 82192286 UAUZWQMZFSTYSH-VONCPEHPSA-N 436.552 3.118 0 1 IGAF CN(CCOc1ccc2c(c1)[C@H](Cc1ccccc1)[C@H](N)CC2)S(=O)(=O)CC1CC1 88260752 PNVMXGRNXIQKCV-BJKOFHAPSA-N 428.598 3.337 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(C)=O)CC31CN(Cc2ccccc2Cl)C1 95867531 SBRYGAAXAGMYJH-NRFANRHFSA-N 439.943 3.479 0 1 IGAF COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3C(=O)c2ccc(F)cc2)cc1 95893713 GNXIZIGCUMANRG-SMIHKQSGSA-N 446.478 3.464 0 1 IGAF Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc2c1NC(=O)C(C)(C)NC2=O 103298238 QCJMDFKIYFAQGY-UHFFFAOYSA-N 441.431 3.275 0 1 IGAF NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccccc3Br)CC1)C2 117352934 NJRZPJLHTUEVTK-UHFFFAOYSA-N 428.330 3.168 0 1 IGAF CN1CCC(Cc2ccc(C(=O)Nc3sc(-c4ccncc4)nc3C(N)=O)cc2)CC1 150017546 LIYOMPYVPWOZJX-UHFFFAOYSA-N 435.553 3.441 0 1 IGAF NC(=O)c1cc(-c2cnn(C3CC3)c2)c2ccc(CN3CCO[C@H](C(F)(F)F)C3)cc2n1 221610761 IETDPLAEMJJGRZ-FQEVSTJZSA-N 445.445 3.295 0 1 IGAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@H](C)O)cc1 586936274 IIMMMVZVRNKIGW-XXFAHNHDSA-N 430.313 3.279 0 1 IGAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 586941292 RVTXAMNQYKGWGL-VOTSOKGWSA-N 431.827 3.375 0 1 IGAF CN(C)S(=O)(=O)c1cccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587030135 YWNWEFWVYJUYFT-UHFFFAOYSA-N 438.538 3.335 0 1 IGAF CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(F)cnc5[nH]4)nc3n2)cn1 587128099 GLZVNAMJUCDMEA-UHFFFAOYSA-N 427.394 3.141 0 1 IGAF CC(C)(C)OC(=O)N(Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C[C@@H]1CCCO1 587196991 FYLBYZXWTOSHMB-SFHVURJKSA-N 430.549 3.311 0 1 IGAF COc1cc2c3c(c1)O[C@H](c1c(I)ccnc1N(C)C)[C@@H](C2)C3=O 587426552 DCDZPSKPYYFCKR-GTNSWQLSSA-N 436.249 3.250 0 1 IGAF C[C@H]1CN(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C[C@@H](C)O1 587656220 HRHLPZGLKAEPBQ-GASCZTMLSA-N 427.451 3.481 0 1 IGAF CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)N[C@H](C)Cc1cc(Br)c(F)cc12 587800193 VVGUYGGLYSIBCR-VPPZWFAISA-N 442.325 3.470 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CS(=O)(=O)N(C)c3ccccc32)N1 587844038 LPRAMEAZYNMBFS-ADLMAVQZSA-N 425.323 3.146 0 1 IGAF O=C1c2cnccc2[C@@]2(N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c2c(F)ccc(F)c21 963223381 ALIDILHQLJBQFB-CPJSRVTESA-N 443.409 3.343 0 1 IGAF Cc1ccc(-c2ccc(C(=O)N[C@H](c3nc(C)c(CO)[nH]3)[C@@H]3CCCCN3)[nH]2)cc1F 1772618852 HBUVBLUFSSUMQD-RXVVDRJESA-N 425.508 3.266 0 1 IGAF COc1ccc(-c2cn(-c3cc(OC(F)(F)F)ccc3-n3cncn3)nn2)cc1OC 1857581097 OGEINWNDEQAGAV-UHFFFAOYSA-N 432.362 3.431 0 1 IGAF CCCCn1cnc2c(Nc3cc(OC)cc(OC)c3)[nH]c(=N[C@H]3CC[C@H](N)CC3)nc21 1857760282 RLXAIBAERUVCCV-WKILWMFISA-N 439.564 3.491 0 1 IGAF O=C(NCCOCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1c(F)cccc1Cl 4310348 NZLGYRIUPGEJHC-HKUYNNGSSA-N 441.286 3.349 0 1 IGAF O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085120 QMWXIWPMNPMUDM-GOSISDBHSA-N 425.485 3.371 0 1 IGAF COc1ccc(CNc2nc(NCCCCO)nc3cc(OC)c(OC)cc23)cc1OC 82126241 RCPOXOYIJAHQNW-UHFFFAOYSA-N 442.516 3.461 0 1 IGAF COCCCNC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccco1 82141808 DYUKOZFWDYMLPL-UHFFFAOYSA-N 426.473 3.132 0 1 IGAF C/C=C/c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)C1CCCCC1)O2 95703318 WTCHHFMVAYUPLM-WKRYFKPZSA-N 443.588 3.374 0 1 IGAF O=C(Nc1cccc2c1C(c1nc3ccc(N4CCOCC4)cc3[nH]1)=NC2)[C@@H]1CC1(F)F 96174710 FXHXFDLLFAXDQC-HNNXBMFYSA-N 437.450 3.344 0 1 IGAF O=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1Cc1cn(CCc2ccccc2)nn1 103279627 CNGSSLIVTBNOGZ-JAIQZWGSSA-N 434.477 3.486 0 1 IGAF Cc1c(C(=O)c2ccccc2)nnc(N2CCN(c3cnc(C(C)(C)O)cn3)[C@H](C)C2)c1C 201150170 BHESAMQTYCUTJD-MRXNPFEDSA-N 446.555 3.057 0 1 IGAF CCC[C@@](C)(O)[C@@H]1C[C@@]23C=C[C@@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5 299814131 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O=C(NCC(=O)N(Cc1ccccc1)[C@H](C(=O)NC1CCCC1)c1ccco1)c1ccco1 4411603 TWMRRLWGXPDAJN-QHCPKHFHSA-N 449.507 3.431 0 3 IGAF O=c1c2sccc2nc(SCc2cc(=O)n3ccccc3n2)n1Cc1ccccn1 8661836 GSDWDJIXYNZUOJ-UHFFFAOYSA-N 433.518 3.202 0 3 IGAF CCOc1ccc(N2C(=O)Nc3ccc(Br)cc3[C@@]2(O)C(=O)NC2CC2)cc1 3670488 QLSOTWXNDGHPEF-HXUWFJFHSA-N 446.301 3.324 0 1 IGAF COc1cc([C@H]2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1O 6001870 RATAWNZIHFKITP-LJQANCHMSA-N 442.420 3.226 0 1 IGAF CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(=O)O)CCCC3)C(=O)N2 13588478 JSCOPDUWXRNDPX-ATVHPVEESA-N 428.510 3.197 0 1 IGAF Brc1ccc2ncnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c2c1 40954439 XYYCMFDGHSYCOP-UHFFFAOYSA-N 427.302 3.443 0 1 IGAF COCCOc1cnc2ccn([C@H](C)c3nnc4ccc(-c5cc(C)no5)cn34)c(=O)c2c1 88383729 LWFDHDVAJJXJRU-OAHLLOKOSA-N 446.467 3.037 0 1 IGAF C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1Cc2ccccc2C1 95563122 LAKUCSBODATRPQ-QFIPXVFZSA-N 435.524 3.296 0 1 IGAF O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1cccnc1 95894606 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IGAF CCC[C@](C)(O)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5 6010193 LOOHQOHHYOAWOS-CXBBVPDISA-N 425.569 3.467 0 1 IGAF O=c1ccn([C@@H]2C=C[C@H](COP(=O)(Oc3ccccc3)Oc3ccccc3)O2)c(=O)[nH]1 28528785 WTBYVSFHNKXXGR-QUCCMNQESA-N 442.364 3.273 0 1 IGAF Cc1ccc([C@H](O)CNc2ccc(CCNC[C@H](O)c3ccc(O)c(CO)c3)cc2)cc1 73222663 YUXMBKARGZWIKE-IZZNHLLZSA-N 436.552 3.204 0 1 IGAF Cc1cccc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2C(=O)N2CCOCC2)c1 82145326 CVMUJXHWUDMAJV-UHFFFAOYSA-N 432.480 3.265 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2F)N(C(=O)Cc2ccccc2OC)C1 82198164 PUXHPSCVUDKXLC-IFMALSPDSA-N 442.531 3.479 0 1 IGAF O=S(=O)(c1ccc(Cl)cc1)[C@@]12CCO[C@@H](CCO)[C@@H]1COc1c(F)ccc(F)c12 95572595 OIAYKSYVOPWLJU-VHFSOBRXSA-N 444.883 3.467 0 1 IGAF O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCCC2)[C@@H](CO)O1)c1cc(Cl)cc(Cl)c1 95903444 BEXHONHOIJOFFZ-GUDVDZBRSA-N 443.371 3.328 0 1 IGAF CNc1nc(Nc2cn(C(C)(C)C(=O)NCC(F)(F)F)nc2C)ncc1C(F)(F)F 103260597 PDECQZVCQHUUND-UHFFFAOYSA-N 439.364 3.199 0 1 IGAF COc1cn(-c2ccc(N3CCOC3=O)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O 114005334 OGYUWIMZDXHPEF-UHFFFAOYSA-N 447.426 3.190 0 1 IGAF in-vitro CNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4ccc(F)c(Cl)c4)C3)n2)c1 118716436 ZIDKNNTYFMZPEI-UHFFFAOYSA-N 428.855 3.035 0 1 IGAF CN1CC[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc([N+](=O)[O-])cc4Cl)oc23)[C@@H]1CO 118900580 BCOHIKUSMCJMSX-OCCSQVGLSA-N 446.843 3.213 0 1 IGAF CC(C)(CN1CCOCC1)NC(=O)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166257886 TVASYQRZUCEKCD-UHFFFAOYSA-N 440.519 3.214 0 1 IGAF Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C3CC3)c(N3CCC[C@H](N)C3)n2)n1 216479369 OYVCFKLZLLYNOW-SFHVURJKSA-N 426.528 3.386 0 1 IGAF Cc1cnc(CNc2cc(OC[C@@H]3C[C@H]3c3nn(C)c4ccccc34)nn(C)c2=O)s1 221918929 ZCOFNMPESMAKIZ-GOEBONIOSA-N 436.541 3.227 0 1 IGAF C[C@H]1C[C@@H](C)CN(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccc(F)cc2)C1 299879848 LIFDBDWKXNIRBE-SOLBZPMBSA-N 439.535 3.103 0 1 IGAF COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354124 UDKPYAOAVMMAHN-RUSORYGASA-N 442.439 3.391 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2cnn(C)c2C)on1 587869276 FLDHSDSIYPUFFP-UHFFFAOYSA-N 432.362 3.358 0 1 IGAF CC(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(C2CCCC2)c1=O 1772602318 XDZZJDYJJDWMGK-UHFFFAOYSA-N 432.528 3.262 0 1 IGAF Nc1ccccc1NC(=O)c1ccc(N2CCN(C(=O)/C=C/c3cccnc3)CC2)cc1 1772632701 AZHIILJQOORTRZ-KPKJPENVSA-N 427.508 3.278 0 1 IGAF COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@@]21C 263591032 OBSYBRPAKCASQB-MSABTOHRSA-N 432.469 3.000 0 3 IGAF COCCNC(=O)c1c(-c2ccc(OC)cc2)noc1-c1ccc(OC)c(OC)c1OC 2480902 GATSRIPZISXYJT-UHFFFAOYSA-N 442.468 3.419 0 1 IGAF COc1ccc([C@H]2CC(=O)C[C@H](c3ccc(OC)cc3)C23C(=O)NC(=S)N=C3O)cc1 5924744 OANOGOKZZAEWTE-RTBURBONSA-N 438.505 3.292 0 1 IGAF CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3ccc(NC(=O)Nc3cccc(F)c3)c2=O)CC1 25230950 WFKYQFFXJXUNTK-SJORKVTESA-N 439.535 3.145 0 1 IGAF biogenic O=[N+]([O-])/C=C(\NC1CCCCC1)NS(=O)(=O)c1cnccc1NC1CCCCCC1 26951368 HCJXRKDEADLUFX-HMMYKYKNSA-N 437.566 3.493 0 1 IGAF CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc2ccccc12 27865951 UQEWIXSLLXSZIF-HSZRJFAPSA-N 428.536 3.402 0 1 IGAF O=C(Cc1cccc2ccccc12)N1CCC(CNCCCCNC[C@@H]2CCCN2)CC1 28254433 ZEZBGTFQOONTEG-VWLOTQADSA-N 436.644 3.332 0 1 IGAF CCCC1=C(/C=C/C(=O)O)C(=O)[C@H](C(C)(C)[C@H]2OC(CCC)=C(/C=C/C(=O)O)C2=O)O1 36378809 KWMYIEZXXJZBPU-CACKVMDLSA-N 432.469 3.338 0 1 IGAF C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@H]1CN(Cc2ccccc2)CCN1C 45254688 OBMROJSOWJZLLA-WMZHIEFXSA-N 427.556 3.432 0 1 IGAF O=C1NCCCC[C@H]1N(C[C@@H]1CCc2ccccc2O1)S(=O)(=O)c1ccc(Cl)cc1 71340558 XIEOOLUERKMLEL-AZUAARDMSA-N 448.972 3.393 0 1 IGAF CCN(C)c1ncc(C(=O)N2CCC(C)CC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82144527 CSLWOTUVCIOSRT-UHFFFAOYSA-N 428.533 3.498 0 1 IGAF CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4C)cc3)[C@H]2C1 95874365 RSSVIUFKDKHCDB-WXFUMESZSA-N 428.598 3.236 0 1 IGAF O=S(=O)(c1cccc(C(F)(F)F)n1)N1[C@H]2c3c[nH]nc3C[C@@H]1c1c(F)ccc(F)c12 96906465 UUUCUJRRMJOMAU-PXAZEXFGSA-N 442.369 3.493 0 1 IGAF COc1ccc2nccc(NC(=O)[C@H]3CC[C@H](NCc4cc5c(cn4)OCCO5)CC3)c2n1 101459067 HVWFFJFLJLATFZ-IYBDPMFKSA-N 449.511 3.092 0 1 IGAF O=C(OC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)N1CC[C@@H](Nc2ncc(Cl)cc2[N+](=O)[O-])C1 115078152 SVFNVLWCVBSBKY-HUEUEIJASA-N 436.896 3.206 0 1 IGAF COc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(-c3nnn[nH]3)cc2)cc1 115731147 WMGSBCIPQRZYDN-UHFFFAOYSA-N 435.509 3.266 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ccc(C(F)(F)F)cn2)C3)n1 221053024 ZIVMVPNFNDQFRD-XHSDSOJGSA-N 443.433 3.242 0 1 IGAF CCN1C(=S)N2CCC[C@@H]2c2c(N3CCOCC3)nc(-c3cccc(OC)c3)nc21 473089922 MWZSOMRZIRETSP-QGZVFWFLSA-N 425.558 3.251 0 1 IGAF COc1ccc(S(=O)(=O)Cc2nc3cccc(I)c3[nH]2)cc1 586920994 UUSQUCMYRRXUNB-UHFFFAOYSA-N 428.251 3.150 0 1 IGAF C[C@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccccc1C(F)(F)F 587097859 LFOMHACZCJPMIJ-HNNXBMFYSA-N 446.473 3.484 0 1 IGAF CC[C@H](C)n1ncc(I)c1-c1nc2nc(C(=O)OC)ccc2[nH]1 587180573 GXPHUHBUQZBFBS-QMMMGPOBSA-N 425.230 3.184 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1 587413066 PNRRYJSAFVVEGL-DNQXCXABSA-N 433.416 3.415 0 1 IGAF COCc1nnc(N2C[C@@H]3C[C@]3(c3cccc(F)c3Cl)C2)n1-c1ccc(OC)nc1 1857606785 IVBNDCRHXGVWPI-ZSEKCTLFSA-N 429.883 3.388 0 1 IGAF CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(=O)[C@@H]2[C@]3(C)C[C@]4(c5ccco5)C[C@@]3(CC[C@@]12C)C(=O)O4 2356662836 IQXUYSXCJCVVPA-IFOTXCAZSA-N 444.480 3.071 0 1 IGAF Nc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 4201920 KZQKVKVLNYELDK-GGAORHGYSA-N 447.535 3.411 0 1 IGAF Cc1nonc1CN(C)C(=O)[C@@H]1CC12CCN(C(=O)/C=C/c1cccc(Cl)c1)CC2 12078092 KLVPHAWVMIHENL-DKFQHHCZSA-N 428.920 3.332 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1cc/c(=N/CCF)c(O)cc1[C@H](NC(C)=O)CC2 26982206 SITHSWRYDSRGHI-QGZVFWFLSA-N 430.476 3.079 0 1 IGAF C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2C)cc1 40379164 UEWSERZNSLLZCB-GFCCVEGCSA-N 430.452 3.254 0 1 IGAF COc1cc2nc(N3CCc4ccccc4C3)nc(N[C@H]3CCCCNC3=O)c2cc1OC 82130271 UKCFTXANVZCRFT-IBGZPJMESA-N 447.539 3.290 0 1 IGAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccccc2F)C1 82151748 FTKXZRUQWUWUDC-WBVHZDCISA-N 427.524 3.481 0 1 IGAF CC[C@H]1Cn2c(c(NC(=O)c3ccco3)c(=O)n(Cc3cccc4ccccc34)c2=O)N1 82208084 NNYUWFWGRNEXRJ-KRWDZBQOSA-N 430.464 3.261 0 1 IGAF O=C(c1cccnc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 95871388 OHGDZNWQBVURKC-NBLZQSJGSA-N 439.515 3.063 0 1 IGAF NC1=N[C@](CF)(c2cc(NC(=O)c3ncc(Cl)cc3CO)ccc2Cl)[C@H]2C[C@H]2O1 226079710 CZXRKTLWYZEHFO-ZBQZNYHESA-N 439.274 3.031 0 1 IGAF Cc1cc(NC(=O)c2ccccc2NC(=O)c2ccc(N3CCCN(C)CC3)cc2)n[nH]1 299826089 YSTVAGYXOLHLPV-UHFFFAOYSA-N 432.528 3.365 0 1 IGAF O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 299877447 HHOFWFTZXZILOM-NLWGTHIKSA-N 429.879 3.356 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966434 DLBDHPZZZFDHLL-UHFFFAOYSA-N 444.542 3.331 0 1 IGAF COc1ccc([C@@]2(COCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587798877 ZVKGCJVCHPSCJP-MPBGBICISA-N 438.293 3.476 0 1 IGAF C[C@@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2cccc(Cl)c2)C1 1772615291 MBACPPNSSFXNCQ-ZDUSSCGKSA-N 429.908 3.361 0 1 IGAF CN(C)c1ccc(C(=O)NCCNC(=O)c2ccc(-c3cccc4[nH]nc(N)c34)cc2)cc1 1857559287 UWHHTYMMCWPLTA-UHFFFAOYSA-N 442.523 3.038 0 1 IGAF CCNC(=O)NC[C@@H]1C=C(C)[C@@H](CC(=O)N2CCN(c3ccccn3)CC2)C[C@H]1C(C)C 2356301223 YYJPCZJQAGMQIO-FSSWDIPSSA-N 441.620 3.294 0 1 IGAF C[C@H](C(=O)NC1CCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@H](C)[C@H]2[C@H]1O 2356319344 AAZQACYYAIHREO-MGJUIUIKSA-N 442.604 3.093 0 1 IGAF Cc1cc2c(c([C@@H]3c4c(ccc(O)c4C=O)C[C@H]3C(C)(C)O)c1)O[C@H](C(C)(C)O)CO2 2356326214 VKNKNPXXDILXOC-AGHHOFFYSA-N 426.509 3.499 0 1 IGAF COc1ccccc1NC(=O)NC[C@@H]1O[C@H](Cc2cc(-c3ccccn3)on2)CC[C@H]1O 2356727247 KXGQYUBUZYWYHV-NBCNXNJRSA-N 438.484 3.018 0 1 IGAF COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](Nc4nccc(C5CCCC5)n4)CO[C@@H]23)cc1 2356830126 JEMPJNXHDIVEEN-NCYKPQTJSA-N 440.500 3.338 0 1 IGAF Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3COCCO3)C(=O)Nc3ccccc3F)cc2c1 13570930 LLVSRJMQBQEJSL-GOSISDBHSA-N 425.460 3.425 0 3 IGAF CCCCC1=NN(C(=O)C(=O)Nc2ccc(Br)cc2)[C@@](O)(C(F)(F)F)C1 4199521 FRDNVZPBGRKXDR-HNNXBMFYSA-N 436.228 3.417 0 1 IGAF COC[C@@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 13528445 BOICILQLTBEVHZ-RPLOAYLJSA-N 432.480 3.108 0 1 IGAF COc1ccc(C(c2ccc(OC)cc2)[S@](=O)CCN2CCC[C@@H](C(=O)O)C2)cc1 28902794 DLBMGJDSMCTQQN-QTEAWJPNSA-N 431.554 3.339 0 1 IGAF CC(C)(O)[C@@H]1Cc2cc(-c3coc4cc5c(c(O)c4c3=O)C[C@@H](C(C)(C)O)O5)ccc2O1 38991865 IKQKRLWGUMCUMA-PMACEKPBSA-N 438.476 3.314 0 1 IGAF biogenic Clc1cccc(Cn2c(Cn3nccn3)nnc2C2CCN(c3ccccn3)CC2)c1 72124546 UQUNYRCRIJTIHK-UHFFFAOYSA-N 434.935 3.399 0 1 IGAF CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OC[C@@H]2CCCN2C)cs1 82071850 VZEBYHVCVVCANJ-HKUYNNGSSA-N 447.626 3.375 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H](C)NC[C@H]1C 95690028 DKOCUBLREHHOPE-ZMPRRUGASA-N 443.519 3.172 0 1 IGAF O=C(NCCc1ccccc1)[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCCC[C@H]1C(=O)O 95872284 DXBXAKFDMQPVBU-ZRBLBEILSA-N 434.536 3.362 0 1 IGAF O=C(Nc1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccnc1 95893803 MZMOWTFDTPCNCQ-BHDDXSALSA-N 432.455 3.242 0 1 IGAF O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@@H]1O2 95900769 IZLHCVQHHLSMHG-DPQLKAKJSA-N 442.556 3.259 0 1 IGAF CS(=O)(=O)c1cccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)c1 96175414 KSDOVGJOFJJOKG-UHFFFAOYSA-N 448.508 3.044 0 1 IGAF COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)[C@H](C)C(N)=O)c1 204172869 HZVSBPHWYBQBIP-CQSZACIVSA-N 432.484 3.059 0 1 IGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NC[C@@H]3CCC[C@@H](O)C3)c2cn1)c1ccccc1 219749966 HEEJTKKHFDOCFG-BFYDXBDKSA-N 436.516 3.122 0 1 IGAF Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCCC[C@@H]3O)cc2F)cn1 224721636 HAGCIKBIRFDFIV-PMACEKPBSA-N 442.516 3.114 0 1 IGAF COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc(OC(F)(F)F)cc1 473149181 IRHPLBRFLSWTMN-UHFFFAOYSA-N 429.786 3.373 0 1 IGAF O=S(=O)(NCCc1nc2cc3c(cc2[nH]1)OCCO3)c1c(Cl)cccc1Cl 586942318 JTDZATSSRZJXTH-UHFFFAOYSA-N 428.297 3.162 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(S(=O)(=O)N(C)C)c2)N1 587840984 OMGKPWMIYAXECN-VOJFVSQTSA-N 427.339 3.462 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(-c2cn(C)nc2C)on1 587868715 PTIUPMFRSRTXPD-UHFFFAOYSA-N 432.362 3.358 0 1 IGAF COC(=O)C(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)NCCc2ccc(C(=O)N(C)C)cc21 962930165 KQUPPCYJUUOVIS-JOCHJYFZSA-N 449.334 3.217 0 1 IGAF COc1cccc2c3c(cnc12)CCN[C@]31CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 963050017 CJHSPDJZJVUPOR-BJKOFHAPSA-N 425.529 3.384 0 1 IGAF N=C(N)N1CC([C@@H](Nc2ncccn2)P(=O)(Oc2ccccc2)Oc2ccccc2)C1 1857596038 NVROMWGZOPATMH-IBGZPJMESA-N 438.428 3.391 0 1 IGAF Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCc2ccccc2)Cc2ccco2)c1 13150910 RITONSGRSUVQHJ-UHFFFAOYSA-N 434.496 3.047 0 3 IGAF Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@@H](c2cc(F)cc(F)c2)O1 28974580 GNFAFBVSLUZXIL-MLNJSSBLSA-N 425.332 3.032 0 1 IGAF Cc1cc2ncc(C(=O)N3CCC([C@H](N)Cc4cc(F)c(F)cc4F)CC3)c(C)n2n1 45484305 YIVYLALCDHULFS-HXUWFJFHSA-N 431.462 3.186 0 1 IGAF NC(=O)c1cccnc1N1CCc2ncnc(Nc3ccc(C(F)(F)F)cc3)c2CC1 64549268 LOAYGWDGCQXPQT-UHFFFAOYSA-N 428.418 3.338 0 1 IGAF O=C(c1ccnc(-c2cncc3ccccc23)c1)c1nc2cc(OC[C@H](O)CO)ccc2[nH]1 113145796 JGCVUYFJASRLET-QGZVFWFLSA-N 440.459 3.136 0 1 IGAF COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1O[C@@H]1CCN(C)C1)CO2 169329873 OZBHPAKTNOSDFP-GHTZIAJQSA-N 448.523 3.358 0 1 IGAF COC1CN(c2ncnn3c(C)nc(-c4cnn(C)c4-c4ccc(C(F)(F)F)cc4)c23)C1 169697351 ILBCVYLLVZNEMC-UHFFFAOYSA-N 443.433 3.354 0 1 IGAF O=C(NS(=O)(=O)N1CCC1)c1cc(C2CC2)c(OC2CCC(F)(F)CC2)cc1F 216261796 AXYXEXGHBPSHMF-UHFFFAOYSA-N 432.464 3.340 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@H]2[C@@H](C)O)n1)c1nc(-c2cccc(Cl)c2)no1 217408284 VDEXLVZLFHDDEG-WDMOLILDSA-N 430.852 3.059 0 1 IGAF c1ccc(CNCC[C@]23O[C@@]4(CCNCc5ccccn5)[C@@H]5[C@H]6C[C@H]([C@@H]52)[C@H]2[C@H]3[C@H]4[C@H]62)nc1 253673285 GMOUWTUTWWZURS-SBKFHDTGSA-N 428.580 3.032 0 1 IGAF COc1cccc(-c2ccc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCN(C)CC5)cc4c23)c1 473114587 NWQDPJSDGXLPIQ-UHFFFAOYSA-N 442.519 3.483 0 1 IGAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)[C@H](C)O)cc1 586935593 FJEIOGWPCVFLGB-XXFAHNHDSA-N 447.410 3.130 0 1 IGAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2c(Cl)ncnc2[nH]1 586936910 OTHZFYILFVDPNA-GFCCVEGCSA-N 425.967 3.396 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](CC)(c1c(C)nn(CCS(C)(=O)=O)c1C)CC2=O 587485876 JTUKNOWHBKHAOP-JOCHJYFZSA-N 434.558 3.473 0 1 IGAF CC1=C[C@@]2(CC(=O)N1CCCC(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 587759965 NHMRDAAFQWLMNT-WYRIXSBYSA-N 425.298 3.319 0 1 IGAF COC(=O)C[C@@]1(Cc2ccc(OC)cc2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962959223 FJHAXRCTJJTFMJ-HRAATJIYSA-N 439.842 3.227 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@](c3ccc(Cl)cc3)(c3cccs3)N2C(=O)[C@@H]2CCCN12 963221507 OJBDUTHZQYBQNX-HOIFWPIMSA-N 438.940 3.174 0 1 IGAF CCOc1ccccc1[C@]1(CCC2OCCCO2)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963487929 FJUSWCFTQFSWOO-DFBJGRDBSA-N 441.524 3.485 0 1 IGAF CC1=CC(=O)O[C@@H]1CC[C@]1(C)O[C@]2([C@@H]3C[C@@H]3C)O[C@@H]3C[C@H](C)[C@@H]4C(=O)[C@@H]1[C@@]2(O)[C@@H](C)[C@H]43 2356422593 FAENNAPQJGMWNW-KBZVHQIBSA-N 430.541 3.017 0 1 IGAF COc1ccc(N2C(=O)c3ccccc3NC(=O)[C@H]2C(=O)NCCc2ccccc2F)cc1 95599713 VHRREINSNGAPSW-JOCHJYFZSA-N 447.466 3.161 0 3 IGAF O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1ccc(F)cc1Cl 4055180 MWIBJNVGODZUBK-PKOBYXMFSA-N 441.286 3.349 0 1 IGAF COc1cc2c(c(OC)c1OC)OC[C@@H]1[C@H]2c2cc3c(cc2C[C@H]1COC(C)=O)OCO3 28219295 YGEWGXUJQZHXEU-LFRPXUGBSA-N 442.464 3.317 0 1 IGAF O=C(O)CC[C@@H](C(=O)O)c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1 28460590 WXKBDVDQNMAQAL-OAHLLOKOSA-N 441.465 3.402 0 1 IGAF Nc1ccccc1NC(=O)c1ccc(N2C[C@H]3C[C@@H]2CN3C(=O)CCc2ccccc2)nc1 28824508 OZIQEHMZAWLRBB-NHCUHLMSSA-N 441.535 3.338 0 1 IGAF CC(C)C[C@H](N)c1cc(C(F)(F)F)ccc1N1CCN(C(=O)CCC(=O)N(C)C)CC1 40762839 JSEPYHVICWHIQR-SFHVURJKSA-N 442.526 3.268 0 1 IGAF CC(=O)N1CCN(C(=O)c2cccc(Sc3cnc(Nc4ncccn4)s3)c2)CC1 40763479 FUBOTVNFNSUKEY-UHFFFAOYSA-N 440.554 3.132 0 1 IGAF O=S(=O)(Oc1ccc(Cn2ccnc2)cc1)c1ccc(I)cc1 43060269 VUJUEAUABOVQDK-UHFFFAOYSA-N 440.262 3.304 0 1 IGAF O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccsc1)[C@H](c1ccccc1)CN2 82208695 HBTFHJFDFWIVAD-FQEVSTJZSA-N 446.532 3.452 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1Cl)CC31CN(C(C)=O)C1 95865245 JSXHTEDYJARPFB-NRFANRHFSA-N 439.943 3.479 0 1 IGAF O=C(Nc1cccc(F)c1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1 95894612 PJKYSCCIDOXZLC-AKFKNWHVSA-N 446.482 3.171 0 1 IGAF OCCN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 113132479 DQINITVVKFIKIO-UHFFFAOYSA-N 435.450 3.411 0 1 IGAF Cn1nnc(-c2c(F)cc(Cl)cc2-c2ccc3c(c2)SC[C@H]3NC(=O)C2(N)CC2)n1 169697157 YCYBPINOGLKAOI-OAHLLOKOSA-N 444.923 3.091 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC4CCOCC4)c3)C2)cc1 169709785 BQNOPWPXBJUZQK-GAJHUEQPSA-N 425.529 3.494 0 1 IGAF O=S(=O)(Nc1ccncn1)c1ccc2c([C@H]3CCCN3C3CCOCC3)nccc2c1 225052622 GCFOAVRRLQBKKC-HXUWFJFHSA-N 439.541 3.142 0 1 IGAF CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605250 BPSUQDNHLJEZRX-WLMSZQSKSA-N 443.521 3.207 0 1 IGAF Cc1cc2c(cc1Cl)C(=O)[C@H]([C@H]1N[C@H](C(=O)O)Cc3c1cnc1ccccc31)C(=O)O2 963222089 GGHSKGPLXRJMLQ-IHPCNDPISA-N 436.851 3.255 0 1 IGAF CCNC(=O)Nc1ccc(S(=O)(=O)Oc2ccccc2I)cc1 1857653436 NBOMHIWPHBOALK-UHFFFAOYSA-N 446.266 3.200 0 1 IGAF CN(C[C@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 2356297995 JXMOFERMXKEWBV-WFXMLNOXSA-N 434.005 3.465 0 1 IGAF CC(C)[C@H](N)C(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl 1854922 DKOINVRWSVIASA-IBGZPJMESA-N 436.339 3.287 0 1 IGAF O=C(NC1CCCCC1)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCCCC3)cc12 2464752 ZJGDKEOREBOLFL-UHFFFAOYSA-N 431.558 3.155 0 1 IGAF CC[C@@H](C)[C@@H](NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2)C(=O)O 16025677 GIVDTQGSLDTLAB-MPBGBICISA-N 431.485 3.199 0 1 IGAF biogenic COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]2C1=O 28120482 KFVUSZPWUZBAPF-JSDJLVNFSA-N 434.485 3.058 0 1 IGAF O=C(/C=C/c1cccnc1)N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl 28339865 YCHVIWVGPCRRAF-PSKZRQQASA-N 430.748 3.289 0 1 IGAF COc1cc(OC)cc(-c2nc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)cs2)c1 82085909 WLGHTDDZSWTAKI-GOSISDBHSA-N 442.493 3.227 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@@H](NC(=O)C(F)(F)F)CC2=O 84615034 JMIHJILAEYXWTJ-ZDUSSCGKSA-N 425.359 3.391 0 1 IGAF C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CC2)Oc2ncc(-c3ccc(F)cc3)cc2C1=O 95701724 LXCFFJMNPQQDFP-SAHWJRBASA-N 441.547 3.450 0 1 IGAF COc1cc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCc2ccccc2)ccc1O 169687207 ADCXOCIGMYJKFP-VXKWHMMOSA-N 433.460 3.496 0 1 IGAF COc1ccc([C@H]2CN=C3C(=O)c4c(ccn4S(=O)(=O)c4ccc(C)cc4)C(=O)[C@H]32)cc1 169729574 LBBIQLKPFYBHQT-UXHICEINSA-N 448.500 3.276 0 1 IGAF COC(C)(C)COc1ncnc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)c1F 261150513 OVCSXVJPFDKEQV-HNAYVOBHSA-N 446.523 3.274 0 1 IGAF O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 299875642 DFWPLFRCNNLWHX-ILZDJORESA-N 429.879 3.356 0 1 IGAF O=C(O)c1nn(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1I 587186180 SZTRAEKZSPCNPL-UHFFFAOYSA-N 436.131 3.129 0 1 IGAF COc1cc2c3c(c1)O[C@@](C)(Cc1nc(=NC(=O)c4ccc(F)cc4)s[nH]1)[C@@H](C2)C3=O 587428829 QOFIJDOTAOOCGL-NYHFZMIOSA-N 439.468 3.109 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(C(C)C)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962921390 NMLRPJVMSVTVGA-RDPSFJRHSA-N 441.480 3.157 0 1 IGAF CCNc1n[nH]c2cc(NC(=O)N[C@H](C(=O)N(CC)CC)c3ccc(F)cc3)ncc12 1772649608 GWOAAKVSEQUBSL-SFHVURJKSA-N 427.484 3.260 0 1 IGAF C[C@H](C1=Nc2cccc(F)c2S(=O)(=O)N1c1ccccc1)n1cnc2c(N)ncnc21 1857558040 VHCMWAOBQYOQJG-GFCCVEGCSA-N 437.460 3.048 0 1 IGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)N[C@@H](C)CO)cc21 1857607598 PXZOCYIGBPNHIZ-SFHVURJKSA-N 429.520 3.451 0 1 IGAF COc1cc([C@@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)ccc1OC(F)F 1857610565 FFFZDZHWLBGXLM-HXUWFJFHSA-N 440.349 3.225 0 1 IGAF O=S(=O)(c1cccc(-c2ccc3nccc(-c4ccncc4)c3n2)c1)N1CC[C@H](O)C1 1857636775 SFYAUAOMTNNVHO-SFHVURJKSA-N 432.505 3.114 0 1 IGAF CCO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)[C@H](O)C(=O)[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@@]23C)CO1 2356602735 KOGYNKSBLTVNPI-AODQJLCZSA-N 438.561 3.011 0 1 IGAF O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)NC[C@H]1CCCO1 9416312 BPNJCYHLGCGXFM-MRXNPFEDSA-N 434.521 3.254 0 3 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NC[C@H](O)CC 4296720 ORMAYFFABOHALT-XFEVJDRUSA-N 442.512 3.081 0 1 IGAF Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5 26669162 KMCQRXAYWIILLB-IFKAHUTRSA-N 429.520 3.155 0 1 IGAF O=C(O)c1c2n(c3cc(N4CCNCC4)c(F)cc3c1=O)[C@@H](c1ccc(F)cc1)S2 27525967 GDHCLNWKEUXYPH-LJQANCHMSA-N 429.448 3.040 0 1 IGAF CCN(CC)c1ccc2c(cc1=O)[C@@H](NC(C)=O)CCC1=C[C@@H](OC)[C@@H](OC)C(OC)=C12 27711430 LIJMGLFRJYNQAJ-BPUDTRNYSA-N 442.556 3.192 0 1 IGAF COC(=O)c1ccc([C@@H]2C=C(C(=O)NCc3ccccc3)O[C@H](OCCCCO)C2)cc1 34158176 ZBLDUGKVQOEBII-GGAORHGYSA-N 439.508 3.293 0 1 IGAF C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2cccc(F)c2)n1)C1CCCCC1 95755337 GJAXPTMOYHGQED-MRXNPFEDSA-N 442.539 3.088 0 1 IGAF COc1ccccc1N1CCN(C(=O)[C@@]23C[C@H]4CC[C@@]2(C)[C@@]4(C)CN3C(=O)C2CC2)CC1 101405737 XAAHBKNWJKNGGA-DCSNJQJVSA-N 437.584 3.161 0 1 IGAF Cc1nc(N2CC(c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc(-n2nc(C)nc2C)n1 143128687 YSPOJELCWXRLEB-UHFFFAOYSA-N 428.422 3.481 0 1 IGAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H](O)[C@](CO)(CCCCc2ccccc2)C[C@H]3[C@H]1C5 169365151 JBRYBMGMSNJGGN-PSZVBPEGSA-N 449.591 3.424 0 1 IGAF C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C[C@H](O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 195116220 RIJQQQOGGXBOKH-CCBHDTAESA-N 439.574 3.054 0 1 IGAF COC(=O)c1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2n1 587169869 DDGCCAYXJKKYLA-UHFFFAOYSA-N 432.458 3.413 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(CC(N)=O)c3ccc(Br)cc13)O2 587370266 DESJDNZRLKWURX-SFHVURJKSA-N 428.286 3.486 0 1 IGAF CCn1ncc([C@@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587579257 CXNVNOYEGUSGBO-RCZVLFRGSA-N 449.507 3.106 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C=C(CN1CCCCCC1)OCC2=O 587594165 LRGMSUTYYYCHEW-DHLKQENFSA-N 435.476 3.452 0 1 IGAF Cn1nc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c2ccccc2c1=O 587658755 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CCOC(=O)C1=CN(CCCc2cn(Cc3ccccc3)nn2)C(=O)N[C@@H]1c1ccccc1 36381994 PJXXYBZEETUSBH-HSZRJFAPSA-N 445.523 3.473 0 1 IGAF CN(C)c1ccc(C(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCc3ccccc3C2)cc1 43527007 GNBYPYURLYHSMX-KTIWRFAQSA-N 432.612 3.251 0 1 IGAF biogenic COc1cc(-c2cn(CC(=O)NC3C4CC5CC(C4)CC3C5)nn2)ccc1-n1cnc(C)c1 84634930 FRTLIBZJRQYHKR-UHFFFAOYSA-N 446.555 3.389 0 1 IGAF O=CNCCCCCCNc1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 95573269 GFAUOHVOSIKURI-UHFFFAOYSA-N 439.491 3.123 0 1 IGAF CNc1nc(C(F)(F)F)c(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)s1 95601088 FPHITTVVVWKENE-UHFFFAOYSA-N 430.437 3.052 0 1 IGAF Nc1ccc(S(=O)(=O)NCc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 98082524 GOMQTXJICVEQIV-UHFFFAOYSA-N 440.912 3.100 0 1 IGAF C[C@H]1CC(n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C[C@H](C)C1 112943298 ZVZCJAVCVUCKTG-HZPDHXFCSA-N 443.569 3.307 0 1 IGAF C[C@@H](O)c1ccccc1N1C(=O)COc2cc(S(=O)(=O)Nc3nccs3)ccc21 220312605 WVTYZEWQQOVFRK-GFCCVEGCSA-N 431.495 3.054 0 1 IGAF CO[C@@H]1C=CC=CC=CC[C@H](C[C@H](C)O)OC(=O)C=CC=CC=CC[C@H](O)C[C@H](O)C1 253761002 RVOQCIAUFIYHFP-ZROJVYTPSA-N 432.557 3.317 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](NC(=O)C(F)(F)F)c3cc4c(cc31)OCO4)O2 587380126 AZQSDTMNPLRHIX-JLTOFOAXSA-N 434.370 3.290 0 1 IGAF CC1=C[C@@]2(/C(=C\NOCc3ccc(C)cc3)C(=O)O1)c1ccsc1CCN2C(N)=O 962713259 UBNVFMPCOZUUML-VWOYCULZSA-N 425.510 3.255 0 1 IGAF COc1cc([C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ccc1OC(C)=O 962976483 ZYCHNIARLYCSKD-XOBRGWDASA-N 425.815 3.415 0 1 IGAF CCn1c2c(c(O)nc1=O)[C@H](c1ccc(C)cc1)C1=C(CN(CCc3ccccc3)C1=O)N2 1772633127 DQFBZYXAVHHSEQ-HXUWFJFHSA-N 442.519 3.174 0 1 IGAF COc1cccc(OC)c1-n1cc(-c2ccccc2S(=O)(=O)c2ccc(N)cc2)nn1 1857592026 VPFWANSZOBXEAF-UHFFFAOYSA-N 436.493 3.367 0 1 IGAF O=C1NC[C@H](Cc2ccccc2)N(CC2CCN(CCCCc3ccccc3)CC2)C1=O 61936169 MDCMIGZROOBSAE-VWLOTQADSA-N 433.596 3.291 0 3 IGAF COC(=O)N1C[C@H](OCc2cn(-c3ccc(OC)cc3)nn2)[C@H]2C[C@@H]1c1ccccc1O2 199735659 PJWQTJRGNCWEAI-FCEUIQTBSA-N 436.468 3.136 0 3 IGAF 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CN(C)c1ccc(Oc2cc(O)cc(O)c2-c2cc(C(=O)NC3CCNCC3)no2)cc1 96939422 FGVPLVLSVXCQNT-UHFFFAOYSA-N 438.484 3.093 0 1 IGAF C[C@@H]1CN(Cc2c[nH]nc2C(=O)Nc2ccncc2)CCN1c1ccc(C(F)(F)F)cn1 115172094 JFOWMVTUVPUJGV-CQSZACIVSA-N 445.449 3.182 0 1 IGAF O=C1C(=O)N(Cc2ccncc2)[C@@H](c2ccccc2F)[C@H]1C(=O)c1ccc2c(c1)OCCO2 169693857 IDEQCACINOYXNU-VXKWHMMOSA-N 446.434 3.144 0 1 IGAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(F)cc(Br)c4[nH]3)c2N)C1 586956045 YYRXZBBCOYHGLO-UHFFFAOYSA-N 439.310 3.031 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)CC3(C)OCCO3)c(=O)c3ccccc23)c(O)c1 587666361 DGPPOOOZNZFMNK-UHFFFAOYSA-N 437.496 3.409 0 1 IGAF CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N21 653808332 HYYBIHWTRYIMCY-UFYCRDLUSA-N 438.572 3.202 0 1 IGAF COC(=O)[C@@]1(CC(=O)c2cccnc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962645763 RUUPFXCRUIZBAS-WNCULLNHSA-N 441.531 3.470 0 1 IGAF Cc1nn(-c2ccccc2)c(C)c1[C@@]1(C(=O)O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962765841 NRZCPWHUFIXJHW-GCJKJVERSA-N 443.425 3.463 0 1 IGAF CCOC(=O)[C@@H](CC(=O)O)[C@@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949952 DOFGDJPVBPZRNB-DNVCBOLYSA-N 429.435 3.226 0 1 IGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(C)c1cnc2ccc(Cl)nn12 963136274 DWFZVIZDFCAEKF-JEOXALJRSA-N 449.920 3.349 0 1 IGAF COc1ccc2c(c1OC)[C@]1(C(=O)Nc3c(F)cccc31)N(C(=O)c1ccccc1N)CC2 963157489 RHWRYTHLZBYDJU-RUZDIDTESA-N 447.466 3.319 0 1 IGAF CC(C)(C)n1cc([C@@]2(C(=O)O)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cn1 963171844 CDVLQEHQONMBNO-RDTXWAMCSA-N 445.825 3.237 0 1 IGAF CCCNc1nccc(N2CC[C@@H](Oc3ccc([C@@H](C)C(=O)N[C@H](C)CO)cc3)C2)c1F 1772609004 VDUMNLDTOWELHA-MBOZVWFJSA-N 444.551 3.301 0 1 IGAF CC1=C[C@@H]2C=CC[C@H](C)C(=O)[C@](C)(O)C=C[C@H](O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@H]3[C@@H]1C 2356336929 TUOTYDFTSBXZFM-UREPNEQXSA-N 449.591 3.376 0 1 IGAF CC(C)=CC[C@@H](C=C(CCO)COC(=O)[C@@H](C=C(CO)CCO)CC=C(C)C)C(=O)O 2356803844 XMHHAYPLVIDZIX-FCHUYYIVSA-N 438.561 3.169 0 1 IGAF COc1ccc(C=Cc2ccc3c(c2)C(=O)N2CC[C@@H](NC(=O)NC(C)C)[C@H]2C(=O)N3)cc1 2356848347 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CC(C)n1c(=O)c(C(=O)NC2C[C@H]3CC[C@H](C2)N3CCCCCO)cc2ccccc21 101633488 XGECCXLAUKRJFF-NHCUHLMSSA-N 425.573 3.470 0 1 IGAF C[C@@H](CN1CCC2(CC1)C(=O)NC[C@@H]2c1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1 144491040 CUBHHKRMIJNNFB-LAUBAEHRSA-N 448.542 3.421 0 1 IGAF Cc1ccc(C(=O)NC[C@@H]2CCOC2)cc1Nc1ncnc2cnc(N3CCCCC3)nc12 148198067 UTGDQOAJIGTBOY-KRWDZBQOSA-N 447.543 3.228 0 1 IGAF Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](Nc2cc(=O)[nH]c4ccc(F)cc24)C3)c1Cl 169351302 DEXGSLSWBLWDTO-BTTYYORXSA-N 429.883 3.302 0 1 IGAF O[C@@H]1CCN(Cc2ccc(Br)cc2)C[C@@H]1N1CCN(c2ccccc2)CC1 169354378 MLPKOPXBTFTBAZ-FCHUYYIVSA-N 430.390 3.207 0 1 IGAF CN=[S@@](C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 169694325 GEICEYBJACBCSI-JJPWZELDSA-N 428.356 3.250 0 1 IGAF COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2C)CC3)n1 169702273 AHPVVVDWNNYPQV-UHFFFAOYSA-N 429.528 3.461 0 1 IGAF Cc1nc2ccc(Nc3cc(=O)n(CCO)c(=O)n3Cc3ccc(Cl)cc3)cc2s1 204092821 IPOSHTYERHXXPX-UHFFFAOYSA-N 442.928 3.366 0 1 IGAF O=C(c1ccccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1[nH]c3cc(Cl)ccc3o1)C2 473170698 KILDPDDYNRRECB-QOKNQOGYSA-N 434.887 3.341 0 1 IGAF COC(=O)c1ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2n1 587156719 QVXFRYQNHJBAPS-UHFFFAOYSA-N 426.429 3.351 0 1 IGAF CC[C@@H](C(=O)c1c(CO)oc2cc(Br)cnc12)N1C(=O)c2ccccc2C1=O 587272847 CMKKHMUKORXHKR-ZDUSSCGKSA-N 443.253 3.340 0 1 IGAF COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601048 QBSDPUXSXCLUDB-PXDATVDWSA-N 448.427 3.390 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 587760461 KCCDQHIMYMOYEA-NMLGDKRHSA-N 443.313 3.412 0 1 IGAF CCc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)C(=O)N2CC(=O)O 587776231 VSWRMQXXMXKRKL-WIUDPPPLSA-N 447.304 3.360 0 1 IGAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(S(=O)(=O)NC2CC2)cn1 587863423 IXCDEIAWDFQZRM-UHFFFAOYSA-N 438.431 3.402 0 1 IGAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 587871949 FSPXDQVNUIRWOB-UHFFFAOYSA-N 444.532 3.013 0 1 IGAF CN1C(=O)C[C@@H]2CN[C@@]3(C(=O)c4cc(O)ccc4O[C@@H]3c3ccc(O)cc3)c3cccc1c32 963016798 CGRBXZJXYFZFFG-ZDEBZOIISA-N 442.471 3.363 0 1 IGAF CCCC[C@@](O)(c1cncnc1Nc1ccc(F)cc1)C1CCN(S(C)(=O)=O)CC1 1772601212 CFTMPALTDMJTEX-NRFANRHFSA-N 436.553 3.409 0 1 IGAF CCCNC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC(=O)N3CCCCC3)[C@H](O)CC[C@@H]2[C@@]1(C)CO 2356464164 ZWQLBFGGCAPBOK-WLZGJCBXSA-N 438.609 3.080 0 1 IGAF Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@H](C)O3)O2)c(=O)[nH]c1=O 3641394 VNNRNHSLBICHPY-ZRYGEWIYSA-N 440.776 3.247 0 1 IGAF CC[C@@H](C)c1cccc2c1C(=O)N(COc1nc3ccccn3c(=O)c1Cl)S2(=O)=O 13744367 YIRKXGOOGNYHGW-GFCCVEGCSA-N 447.900 3.042 0 1 IGAF COc1cc(C[C@@H](COC(C)=O)[C@H](COC(C)=O)Cc2ccc(O)c(OC)c2)ccc1O 14694414 DZADNPBYQBBZIK-PMACEKPBSA-N 446.496 3.259 0 1 IGAF biogenic O=C1CN(CCc2ccc(F)cc2)CCN1[C@H]1CCc2cc(Cn3ccnc3)ccc2C1 36126694 GCYKFPCFTPBZFL-VWLOTQADSA-N 432.543 3.315 0 1 IGAF O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1=CCN(c2ncccc2F)CC1 45498074 NZJOFNVIKAMGMH-UHFFFAOYSA-N 429.395 3.289 0 1 IGAF O=C(Nc1ccc(Br)cc1N1CCN(c2cnccn2)CC1)c1cccnc1 84605059 UBOXEVAOESOFMP-UHFFFAOYSA-N 439.317 3.213 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)NC[C@@H]1C 95688074 YSGNECPMBZHEAJ-WJONJSRFSA-N 443.519 3.172 0 1 IGAF C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)C1CCCCC1)O2 95703319 WTCHHFMVAYUPLM-APQVDJIQSA-N 443.588 3.374 0 1 IGAF O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3cccnc3)cc1)[C@@H]2CO 95795413 DYGXIGZWPPRTRB-GPXNEJASSA-N 446.482 3.091 0 1 IGAF C/C=C/C=C/c1cc(=O)c2c(o1)O[C@]1(C)CC[C@@]3(O)C(C)(C)[C@]4(O)CC[C@]3(CO4)[C@H]1[C@H]2O 96085473 LFPBILWIIIPSMS-IEBSNVMFSA-N 444.524 3.080 0 1 IGAF in-vitro Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCCN1CCN(C)CC1 96938987 GTPYCMNQCRSJLQ-UHFFFAOYSA-N 425.527 3.463 0 1 IGAF CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 101505827 TWTKUCSHDGYPHU-MSEWRSJXSA-N 447.567 3.321 0 1 IGAF CC(C)(C)[C@@H](CO)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 148321855 RURCYYRVPUXVMX-RTBURBONSA-N 443.498 3.486 0 1 IGAF Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](Nc2cc(=O)[nH]c4cc(F)c(F)cc24)C3)c1Cl 169351700 GNOOAQKHSXLYFD-ZSBIGDGJSA-N 447.873 3.441 0 1 IGAF Cc1cccc(Cc2c3c(nn2C)CCc2cnc(Nc4ccn(CCN(C)C)n4)nc2-3)c1 169702292 CZSVSTVULJGGJW-UHFFFAOYSA-N 442.571 3.377 0 1 IGAF N[C@@H](CC(=O)N1[C@H](C(=O)NCC2CC2)C[C@@H]2CCCC[C@@H]21)Cc1cc(F)c(F)cc1F 299836292 NDMWSBYHFLBRKK-LJQHDNKASA-N 437.506 3.050 0 1 IGAF CC1=C(c2ccc3[nH]c(-c4cc(Cn5ccc(C(F)(F)F)n5)on4)nc3c2)NNC(=O)C1 587120096 QRUWCGSNSMRBKJ-UHFFFAOYSA-N 443.389 3.237 0 1 IGAF COc1ccc2c(c1)CC[C@](N)(c1nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]1)C2 587247818 ZGAIVJHWFMFCFS-GOSISDBHSA-N 425.432 3.208 0 1 IGAF COc1ccc([C@]2(CS(C)(=O)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587606042 FZXFMJDSHNZCOT-REWPJTCUSA-N 440.473 3.303 0 1 IGAF COc1cccc(I)c1[C@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962890036 APULVEOPTQVFAE-LRDDRELGSA-N 427.213 3.127 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3cc4cc(Cl)c(Cl)cc4[nH]3)N2C(=O)[C@@H]2CCCN12 963198672 ACWGIUGLJZRBPI-XYJFISCASA-N 430.295 3.045 0 1 IGAF C=CC(=O)NC[C@]1(C)CCNc2c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn21 1772604657 OSFVFJLOFLIGBP-DEOSSOPVSA-N 431.496 3.274 0 1 IGAF CCn1ncc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)c2ccc(-c3cc(C)[nH]n3)cc2)c1C(N)=O 1857582249 LTKXCXFALXANGC-QZTJIDSGSA-N 448.527 3.328 0 1 IGAF O=c1nc2oc(-c3ccc(OCCCCCCF)cc3)cc2cn1[C@H]1C[C@H](O)[C@@H](CO)O1 28865026 HFNJSWJKLGLHEE-CEWLAPEOSA-N 446.475 3.206 0 1 IGAF CCc1ncnc(N[C@@H](C)c2ccc(OC(=O)NCCOCCNC(C)=O)cc2)c1Cl 28887818 MHQIAEIOEGDYDP-AWEZNQCLSA-N 449.939 3.107 0 1 IGAF COc1c(N2CC[C@H](C(C)(C)N)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 34894599 CECJUHKZSOSOJJ-JTQLQIEISA-N 432.521 3.363 0 1 IGAF Cc1cc(N2C[C@H](C)N[C@@H](C)C2)c2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCO2 40605932 KBGCRLAPUXASJS-HOTGVXAUSA-N 435.977 3.423 0 1 IGAF CCOC(=O)N1CCCc2cc(S(=O)(=O)N3C[C@@H](c4ccccc4)NC3=O)ccc21 72178471 DEMKBTKLLMTAAU-SFHVURJKSA-N 429.498 3.051 0 1 IGAF O=C(NCc1ccc(C(=O)N2CCNCC2)cc1)c1coc(-c2ccc3ccccc3c2)n1 82081873 PDPIMIATCGLFMV-UHFFFAOYSA-N 440.503 3.470 0 1 IGAF COc1cc2nc(N3CCC[C@@H](C(N)=O)C3)nc(NCC3CCCCC3)c2cc1OC 82119663 DATVMUTYNPPZMN-MRXNPFEDSA-N 427.549 3.341 0 1 IGAF CCN1CCN(c2nc(NCc3ccccc3OC)c3cc(OC)c(OC)cc3n2)CC1 82127111 VXFHONCJZFVHGS-UHFFFAOYSA-N 437.544 3.410 0 1 IGAF CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5cccnn45)c3c2)CC1 95562785 NPINDPNOIZAEHY-UHFFFAOYSA-N 442.449 3.055 0 1 IGAF COc1ccc(NC(=O)N2CC(=O)N3[C@H](CO)[C@@H](c4ccc(C5=CCCC5)cc4)[C@H]3C2)cc1 95866637 IPPKAUYPGZFFKS-OYRHQHFDSA-N 447.535 3.466 0 1 IGAF O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](F)(C3)C2 100065993 RUBWTVFAHWBQIP-GDEBTYKGSA-N 440.485 3.255 0 1 IGAF CCCCNC(=O)[C@@H](CC)Sc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1 103623269 PSBPVZUWIYCMGN-MRXNPFEDSA-N 428.562 3.453 0 1 IGAF CN(C)c1cccc(Cn2cc(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)cn2)c1 117694719 FUSNKBMQTJQAFQ-UHFFFAOYSA-N 442.523 3.338 0 1 IGAF CCCS(=O)(=O)N1CC(COc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@@H](N)CC3)C1 142532839 QESOFHQCDQDCQF-RPWUZVMVSA-N 428.598 3.337 0 1 IGAF O=C(Nc1nc(O)cs1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1 169723791 YLJFNAYXUPIYGC-QGZVFWFLSA-N 436.555 3.324 0 1 IGAF NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(F)cn3)ccc2F)C[C@@H](C(F)(F)F)O1 221097765 NJIHNSPWTBSFKB-WMLDXEAASA-N 432.324 3.443 0 1 IGAF COC(=O)[C@@]12CCCC3=C1[C@H](C[C@@H](C)[C@]31C[C@@H](c3ccoc3)OC1=O)O[C@H]2OC(C)=O 238769893 AZQXQJBTHHOQGP-DSNCRMKZSA-N 430.453 3.222 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@H](O)[C@](CO)(CCCc4ccccc4)C[C@H]4[C@@H](C2)N(C)CC[C@]314 253632538 HIHIEFXWVUQDNZ-LBEPHKRSSA-N 449.591 3.337 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CCC[C@@H]4C)ncc3F)C2)cc1 261179895 VVBZAJBRROJJFC-TWOQFEAHSA-N 427.524 3.459 0 1 IGAF N=c1[nH]c2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc-2c(Cl)[nH]1 586961699 SLPXFNXUAUMTDR-YUTCNCBUSA-N 432.937 3.065 0 1 IGAF N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ncc[nH]c-4n2)cn3C2CC2)C1 587173492 XISLXLVDWWBMHM-CYBMUJFWSA-N 433.491 3.078 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](CF)([C@H](CC(=O)OC)NC(=O)OC(C)(C)C)CC2=O 587466555 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CC[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@H]1CC(=O)Nc1cccc(O)c1 5433985 BFODQKICPLHSFZ-IRXDYDNUSA-N 432.542 3.466 0 1 IGAF biogenic CC(C)OP(=O)(OC(C)C)c1ccc2c(c1)OCCOCCOCCOCCO2 5732873 PZFSIKBYDICVDN-UHFFFAOYSA-N 432.450 3.176 0 1 IGAF CC[C@H]1CN(CCNC(=O)c2cccc(N3CCCC3=O)c2)Cc2cc(OC)ccc2O1 11788816 MDCRVYNAVPMZMZ-NRFANRHFSA-N 437.540 3.225 0 1 IGAF COc1cc(C(=O)NC[C@H]2CCCN(Cc3ccc4c(c3)OCO4)C2)cc(OC)c1C 28460483 XXDZODAIWCMDQB-GOSISDBHSA-N 426.513 3.383 0 1 IGAF O=S(=O)(c1ccccc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72185249 UUYIWDOHTITXDP-NRFANRHFSA-N 428.945 3.226 0 1 IGAF CC(=O)S[C@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)[C@@H]2C1=O)C(C)C 72190158 RNXWIPULSBRWKV-YRIDSSQKSA-N 431.554 3.185 0 1 IGAF investigational CCOc1ccccc1-c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)OCCN)cs1 82069144 FLKPVSVUFUKSLG-SFHVURJKSA-N 439.537 3.052 0 1 IGAF C[C@H]1CCCC[C@@H]1NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc(F)cc1 82136387 MVXSWTPDJDNECG-KNBMTAEXSA-N 439.535 3.293 0 1 IGAF COc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)cc1 95798066 AMTKRMGMWFDPFB-KYPHJKQUSA-N 442.515 3.174 0 1 IGAF COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3C(=O)c2ccc(F)cc2)cc1 95893711 GNXIZIGCUMANRG-SGNDLWITSA-N 446.478 3.464 0 1 IGAF O=C(COc1ccc2c(c1)[C@@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)N1CCNCC1 114983074 YOOOWVJEFSKIMH-DEOSSOPVSA-N 439.987 3.459 0 1 IGAF CNc1ccc(C(=O)N[C@@H](CCCCCNC(=O)OCc2ccccc2)C(=O)O)cc1 138710795 JFZKHTQYVYNUBG-FQEVSTJZSA-N 427.501 3.398 0 1 IGAF O=C(CN1CCOCC1)N1CCC(c2ccc(NC(=O)N3Cc4ccccc4C3)cc2)CC1 167512852 BFVFFMHUMQHDJO-UHFFFAOYSA-N 448.567 3.273 0 1 IGAF Cc1cnc(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCCCCN2CCCC2)C32CC2)s1 168473114 DMZQLQBCPXTKES-FCGDIQPGSA-N 428.602 3.211 0 1 IGAF COc1cc2c(cc1OC)[C@@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@@]13[C@H]1[C@H]2OC[C@H]13 169301385 UKKISEARMRFGRE-CONUGEHTSA-N 426.465 3.321 0 1 IGAF CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2[C@H](O)[C@](CO)(CCCc2ccccc2)C[C@@H]3[C@H]1C5 253633424 MMXFDJAANNJTRD-MNAUNFAOSA-N 435.564 3.034 0 1 IGAF Cc1cc(NCc2ccccn2)n2ncc(-c3ccc(C(=O)NCCN(C)C)cc3)c2n1 473169984 PEXCYHMPCGICRW-UHFFFAOYSA-N 429.528 3.003 0 1 IGAF O=S(=O)(NCc1nc2cc(F)c(F)c(F)c2[nH]1)c1ccc(Br)s1 586941824 FJMWPUQRDRMQES-UHFFFAOYSA-N 426.239 3.283 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H]1[C@H]3C[C@@H]4[C@@H]1C1(OCCO1)[C@H]1[C@H]4[C@@H]3[C@H]12 587837401 GLPCOMWBMIJMFK-UFQDZIJUSA-N 432.333 3.449 0 1 IGAF C[C@]1(F)CCN(c2nc(-c3cnc(N)c(C(F)(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 653685064 USYJIBLHVJKTEG-JMERFSKESA-N 438.429 3.055 0 1 IGAF CC(C)CNC(=O)[C@H]1[C@H](C(=O)NCc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1 653756196 HKCFPHVLUHPESG-NOXHYTERSA-N 438.391 3.122 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2c(C)nn(C)c2C)c2ccsc2CCN1Cc1ccco1 962713040 SGUXSHCFNVRTMA-QFIPXVFZSA-N 427.526 3.126 0 1 IGAF COC(=O)C1=C(CN2CCCCC2)NC(c2nccs2)=N[C@]1(C)c1ccc(F)cc1 1857544053 PEALTVKSUFCZEM-JOCHJYFZSA-N 428.533 3.460 0 1 IGAF COc1cc(-c2cncc(-c3ccc(N4CCNCC4)cc3)c2C)cc(OC)c1C(N)=O 1857592559 DDVZCQMFWBEKAW-UHFFFAOYSA-N 432.524 3.250 0 1 IGAF Cn1c(-c2csc(C3CCN(CC4=N[C@@H]5C=CC=N[C@H]5N4)CC3)n2)nc2ccccc21 1857597481 NSXFCOAQTRXPAW-UTKZUKDTSA-N 431.569 3.213 0 1 IGAF COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C[C@H]3OC(C)(C)O[C@H]32)cc(OC)c1O 2356418304 FKECPAHWABPMES-CBGDNZLLSA-N 432.469 3.340 0 1 IGAF CC(=CCC[C@H](O)CCCC1=C[C@H](O)OC1=O)CCC[C@@H](C)C[C@]1(O)C=C(C)C(=O)O1 2356807854 YFNINSGGPRTKQA-CXEBNRJLSA-N 436.545 3.434 0 1 IGAF NC[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H]1c1ccccc1 3777273 WOQXJNGTAUWRIE-WMLDXEAASA-N 439.462 3.492 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)c2cccnc2SC)C1 4612147 MVCCGFWDTRBADH-NVXWUHKLSA-N 425.620 3.073 0 1 IGAF COc1cc2c(cc1OC)[C@@H](C(=O)NCc1cccnc1)[C@H](c1ccccc1F)N(C)C2=O 4760705 YMAAOCIURRTYBQ-PKTZIBPZSA-N 449.482 3.465 0 1 IGAF O=S(=O)(NCCCN1CCN(c2ccccc2F)CC1)c1ccc2ccccc2c1 12068831 BWGVOYZSKWZMEK-UHFFFAOYSA-N 427.545 3.470 0 1 IGAF O=C(N[C@@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]2C1)c1ccncc1 25200849 FKWOPHFBLYLGKI-YLJYHZDGSA-N 432.505 3.165 0 1 IGAF biogenic O=CNc1cc([C@@H](O)CNCCc2ccc(OC3Cc4ccccc4C3)cc2)ccc1O 28377216 CTLPMPPAPOCJQW-SANMLTNESA-N 432.520 3.372 0 1 IGAF Cc1cc(C)c2c(c1)CO[P@](=O)(OC[C@H]1CC[C@@H](n3cnc4c(N)ncnc43)O1)O2 29391686 KUVGHHLFOMVIIJ-FIXAZDJUSA-N 431.389 3.437 0 1 IGAF CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(C=C(Cl)[C@H](O)[C@@H]3O[C@@H]32)O[C@H]1O 39165412 XKJXLFLLICSWJK-BEIBJWOKSA-N 439.980 3.322 0 1 IGAF CC(=O)Nc1cccc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CC(C)C)c1 71745152 FLWQZPPAGDFQGR-DEOSSOPVSA-N 434.496 3.219 0 1 IGAF biogenic CC(=O)S[C@@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)[C@H]2C1=O)C(C)C 72190161 RNXWIPULSBRWKV-XLIFZOOWSA-N 431.554 3.185 0 1 IGAF investigational CCCC(=O)N1CC2(C1)CN(Cc1ccncc1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 95796201 QAVOBFKJODHZQO-OAQYLSRUSA-N 434.540 3.001 0 1 IGAF C/C=C/c1ccc([C@@H]2[C@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1 95874288 UQBFJPNJZYIINJ-ZUWQZZCZSA-N 426.582 3.333 0 1 IGAF O=C(NC1CCC2(CC1)NC(=O)N(CCOc1ccc(F)cc1)C2=O)c1ccccc1F 103182288 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CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@H]3C=C(C)C[C@@H](CO)CC1=O 2356797516 OAOOMDJOUWPNCG-HCJJYWEISA-N 445.600 3.238 0 1 IGAF CCCCc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2cccc(F)c2)cc1 61902759 MEJCMZXOUOZEFE-QFIPXVFZSA-N 432.517 3.278 0 3 IGAF O[C@H]1CN(Cc2cccc(Br)c2)CC[C@H]1N1CCN(c2ccccc2)CC1 38156632 ZBAZGRKSPONLTP-YADHBBJMSA-N 430.390 3.207 0 1 IGAF CC(C)(O)[C@@H]1Cc2cc(-c3coc4cc5c(c(O)c4c3=O)C[C@H](C(C)(C)O)O5)ccc2O1 38991863 IKQKRLWGUMCUMA-VQTJNVASSA-N 438.476 3.314 0 1 IGAF biogenic CNC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1Nc1ccccc1OC 52996298 VOVVVIRLWURODT-UHFFFAOYSA-N 447.543 3.084 0 1 IGAF CC(C)[C@@H]1Cn2c(c(NC(=O)C3CC3)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)N1 82206870 AMEZBSKARFYFDF-HNNXBMFYSA-N 437.327 3.164 0 1 IGAF CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@H]2[C@@H](CO)O1 95901763 ALHQUDNRSCILRO-VARILPKDSA-N 445.560 3.052 0 1 IGAF CN(C)CCNC(=O)[C@H]1CC[C@@H](N(C(=O)c2cc(Cl)c(N)c(Cl)c2)C2CC2)CC1 253862585 GFVRTRFRYFWAIJ-OTVXOJSOSA-N 441.403 3.417 0 1 IGAF CCOC(=O)c1nc(NC(=O)Cc2ccccc2)nc2nn(CCc3ccccc3)cc12 299866659 PHOWAELZHWRVOO-UHFFFAOYSA-N 429.480 3.427 0 1 IGAF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)c2)cc1 586931559 YNQIHLSOVYEMAU-UHFFFAOYSA-N 445.508 3.339 0 1 IGAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 586946632 SGHSCFKCTGCZPJ-ZDUSSCGKSA-N 440.447 3.409 0 1 IGAF CC(C)(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595032 ODIRYICBOLWYFV-GKUBODSPSA-N 439.464 3.358 0 1 IGAF CCOC(=O)[C@]1(C[C@@H]2OCCc3ccccc32)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963237787 UOVNVGSPYRQBQN-MVERNJQCSA-N 446.503 3.296 0 1 IGAF CN[C@H](C)C(=O)Nc1cc(-c2c(C)ccc3ncccc23)cc(NC(=O)c2ccncn2)n1 1772580114 BHCOUEILXIDMOA-OAHLLOKOSA-N 441.495 3.194 0 1 IGAF CC(C)C(=O)NC[C@H]1CC[C@H](c2ccc(N3CCOc4ncnc(N)c4C3=O)cc2)CC1 1857648510 LUHWCSFACNUECH-QAQDUYKDSA-N 437.544 3.144 0 1 IGAF Cc1cc(C)cc(N(CC(=O)Nc2cccc(C)n2)S(=O)(=O)c2c(C)noc2C)c1 6577028 BJURPVKRKZERBJ-UHFFFAOYSA-N 428.514 3.446 0 3 IGAF COc1ccc(-n2c(SCC(=O)O)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 985032 ILYQNAMJMRPYSN-UHFFFAOYSA-N 432.523 3.484 0 1 IGAF COc1ccc(-c2cccc3c2O[C@@H](CNC(=O)c2ccccc2-n2cccn2)C3)nn1 12031172 CFAUVOJLCZDXBG-QGZVFWFLSA-N 427.464 3.071 0 1 IGAF N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)Nc1c2c(nc3ccccc13)CCCC2 40953071 RVXPRAJVEVRQIX-FQEVSTJZSA-N 441.535 3.220 0 1 IGAF O[C@@H](CNc1ccnc(Nc2cccc(OCCCN3CCOCC3)c2)n1)c1ccccc1 45194019 JQCBGQWPNZZHPN-QHCPKHFHSA-N 449.555 3.467 0 1 IGAF C[C@@H]1CC[C@H](C(=O)NC2CCCCC2)CN1c1cc(-c2ccc3c(N)[nH]nc3c2)nc(N)n1 71329099 JOAWBRMGMMCJGS-ZBFHGGJFSA-N 448.575 3.238 0 1 IGAF O=C(NC1(C(=O)O)CCCCC1)c1cc2c(n(C[C@H]3CCCO3)c1=O)CCCCCC2 84596805 CEPMZWNMDKHVSU-GOSISDBHSA-N 430.545 3.204 0 1 IGAF O=C(CC1CC1)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@H]1O2 95900768 IZLHCVQHHLSMHG-GPYREICYSA-N 442.556 3.259 0 1 IGAF CC(C)[C@@H](NC(=O)c1cccnc1)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C2(CC2)C1 96272191 INPMLYNZFCJRLY-YKSBVNFPSA-N 441.959 3.390 0 1 IGAF CC1(C)O[C@H]2[C@H](OC(=O)c3ccccc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H](O[C@@H]3CCCCO3)[C@H]2O1 100033839 KDAUNBWBYRLNDG-GMSFPVLESA-N 448.512 3.178 0 1 IGAF Cc1cc(Nc2cc(N3CCOCC3)nc(NCc3cc(-c4ccccc4)no3)n2)[nH]n1 140572869 DKPCJYLKUVGYEQ-UHFFFAOYSA-N 432.488 3.355 0 1 IGAF COc1ccc([C@@H]2CN=C3C(=O)c4c(ccn4S(=O)(=O)c4ccc(C)cc4)C(=O)[C@@H]32)cc1 169729572 LBBIQLKPFYBHQT-VQTJNVASSA-N 448.500 3.276 0 1 IGAF O=C(NS(=O)(=O)N1CCC1)c1cc(Cl)c(OC2CCC(F)(F)CC2)cc1F 216261537 RIMDUBLLZAAZJL-UHFFFAOYSA-N 426.844 3.116 0 1 IGAF Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(F)(F)C3)cn2)cn1 224779589 PGZWJTAHSXATAP-UHFFFAOYSA-N 431.468 3.208 0 1 IGAF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(F)cc2Cl)C1 299883539 RNAVSDJTXBOALP-LKUPVBHCSA-N 429.879 3.308 0 1 IGAF O=S(=O)(c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1)N1CCOCC1 587085592 VVQWTIRNBCDJOC-UHFFFAOYSA-N 428.901 3.452 0 1 IGAF CCCc1c(O)ccc2c1OC1(CC2=O)c2c(N)ccc(O)c2C(=O)c2c(O)ccc(N)c21 587472927 OPRCPHDXOHEVES-UHFFFAOYSA-N 446.459 3.374 0 1 IGAF CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587745623 GELIEYFHUSSAIF-KNMUDHKVSA-N 441.341 3.317 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)N(CCC(=O)O)c1ccccc12 587772768 WIJIJXMCVDMJPN-YBTHPKLGSA-N 433.277 3.187 0 1 IGAF COc1ccc([C@H]2Oc3ccccc3[C@@]3(N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)C2=O)cc1 963475013 YSZGJFNDQSLFFB-CNPGNWEMSA-N 445.471 3.255 0 1 IGAF O=C([C@@H]1CCCN(c2ccc3nc(-c4cncc(C(F)(F)F)n4)[nH]c3n2)C1)N1CCCC1 1772651745 PVTRZDKNSKJFMI-CYBMUJFWSA-N 445.449 3.273 0 1 IGAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@@H]2[C@@H]1CC[C@@H]2C[C@H](O)C3(CCCC3)[C@@H]2N1 2356363097 GTUHSHPOSBVDFZ-YKEAWXCRSA-N 448.607 3.222 0 1 IGAF COc1ccc(C(=O)O[C@@H]2CC(C)=C[C@H](OC(C)=O)[C@]3(C)[C@H](O)C[C@@](O)(C(C)C)[C@@H]23)cc1 2356445637 IVMAFAABATUTOV-IQJFYZRPSA-N 446.540 3.277 0 1 IGAF COc1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1 772968 DOLNNEWACGBJEV-PZJWPPBQSA-N 430.888 3.308 0 1 IGAF CC(C)(C)c1cc2nc(O)n(CCN3CCN(c4ccccc4Cl)CC3)c(=O)c2[nH]1 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O=C(N[C@@H](Cc1nc2cc(F)cc(Br)c2[nH]1)C(=O)O)OCc1ccccc1 587203518 RFJWXNASDNRDII-AWEZNQCLSA-N 436.237 3.387 0 1 IGAF O=C(O)CCC(=O)NC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570543 JEXQOWXQORAVQP-RDGATRHJSA-N 447.443 3.230 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CNC(=O)CCC(=O)O)(c2ccccc2)N1 587754316 JLPMPABSBQUSQN-LRTDBIEQSA-N 449.320 3.347 0 1 IGAF Cn1c(SCCCN2C[C@@H]3CCN(c4ccc(F)cc4)[C@H]3C2)nnc1-c1cnccn1 653728089 OACVKINMDRORAI-JXFKEZNVSA-N 439.564 3.104 0 1 IGAF COCc1nc2ncc([C@]3(C)NC4(CC4)Cc4ccc(Br)cc43)c(C)n2n1 961618261 ZLXQOCBCJOSMJC-LJQANCHMSA-N 428.334 3.283 0 1 IGAF Cn1c(Cc2ccccc2C(F)(F)F)nc(C(=O)NCc2ccccc2F)c(O)c1=O 1857771773 LMURVTUGKVJWJA-UHFFFAOYSA-N 435.377 3.165 0 1 IGAF CCCCN=c1[nH]c2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)NCCOC)[C@H](O)[C@@H]1[C@@H]2C 2356317947 DQMVEGCICZOUCI-OWIQWSKVSA-N 437.650 3.229 0 1 IGAF CCN[C@@H]1CC[C@H](CCCC2CCC([C@@H]3CC[C@H](O)[C@H](C)N3)CC2)C[C@]1(O)CC(=O)O 2356572167 QSIJHUJKRIYOEF-ONPSZINKSA-N 438.653 3.449 0 1 IGAF CC1(C)C[C@@H]2OC(=O)[C@H](Cc3c[nH]c4ccccc34)N=C2[C@]23C(=O)O[C@@H]4OCC(=CC[C@H]12)[C@@H]43 2356692758 KJGOXXYRSAWVEF-IECVVJCFSA-N 446.503 3.337 0 1 IGAF COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@H]4CNC(=O)C3CC3)nc(C)n2)cc1OC 2356836792 LDRFWPLPGAHEMS-IHPCNDPISA-N 436.556 3.173 0 1 IGAF COc1ccc(-c2onc(-c3ccccc3Cl)c2C(=O)NCCO)c(OC)c1OC 2482023 JZOIWVYYSOTVFB-UHFFFAOYSA-N 432.860 3.410 0 1 IGAF O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 4049407 NPMJKMXIZNBGHA-TZIWHRDSSA-N 431.895 3.019 0 1 IGAF CC[C@@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC 4295876 SAUAEKCMUGQNDC-XEQHDAIISA-N 426.513 3.319 0 1 IGAF CC(C)[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(=O)N21 26950125 JGYXFAVLGHCXQK-LQWHRVPQSA-N 425.529 3.239 0 1 IGAF CO[C@@H]1CCCN(C(=O)c2coc(-c3ccc(CNC(=O)Cc4ccccc4)cc3)n2)C1 40567224 OEEUMPNQAQQLCE-OAQYLSRUSA-N 433.508 3.452 0 1 IGAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2NC(=O)[C@@H](N)Cc1cnc[nH]1 61946711 MGSCSNZRAARZBH-RIDRLPTGSA-N 426.605 3.088 0 1 IGAF COc1ccc(CNc2nc(N3CCCN(C)CC3)nc3cc(OC)c(OC)cc23)cc1 82127285 LUHFQRKHWQGEPR-UHFFFAOYSA-N 437.544 3.410 0 1 IGAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2)C1 82132943 VVBYMWNVXMWZDE-NSHGMRRFSA-N 435.572 3.496 0 1 IGAF Cc1ccc(S(=O)(=O)Oc2ccc(-c3nnnn3-c3ccccc3C(=O)O)cc2)cc1 103200476 TVNYMKJIQQEFBH-UHFFFAOYSA-N 436.449 3.104 0 1 IGAF CC(=O)N1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)CC1 215832654 HQDICABEXSAXJK-UHFFFAOYSA-N 428.496 3.476 0 1 IGAF C[C@H](Nc1nc(F)cc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cnn(-c2ccc(Cl)cc2)c1 221672758 CUCKGGUBBMYMRU-HWWQOWPSSA-N 446.870 3.334 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2nc(Cn3nc(C)c(Br)c3C)[nH]c2c1 586978764 GNYMSHFLUURJRT-UHFFFAOYSA-N 440.367 3.218 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3nnnn3C)cc2)N1 587761127 SGOMKDAOSOPXBH-JEOXALJRSA-N 432.297 3.314 0 1 IGAF COc1ccc2c(c1OC)[C@@]1(C(=O)Nc3c(F)cccc31)N(C(=O)c1ccccc1N)CC2 963157491 RHWRYTHLZBYDJU-VWLOTQADSA-N 447.466 3.319 0 1 IGAF O=C(c1ccccc1[C@@]1(Cc2ccccc2)NCCc2ccc(O)cc21)N1CCOCC1 963354403 XJMYXXGDSRENIH-HHHXNRCGSA-N 428.532 3.497 0 1 IGAF Cc1cc2c(cc1O)[C@@]1(CC(C)(C)Cc3c1cc(C)n3CCC(=O)O)N[C@H](C(=O)O)C2 963492644 SOBABUAQECTMHF-MHECFPHRSA-N 426.513 3.100 0 1 IGAF Cc1ccc(-n2ccnn2)c(C(=O)N[C@H]2CCC[C@@H]2Nc2cnc(C(F)(F)F)cn2)c1 1772625727 LIZYGWKOAALUNU-GJZGRUSLSA-N 431.422 3.148 0 1 IGAF NC(=O)c1cc(-c2csc(N[C@H]3CCN(C(=O)OCc4ccccc4)C3)n2)ccc1O 1772655129 HWIAYXHZLFVTNU-INIZCTEOSA-N 438.509 3.438 0 1 IGAF C[C@@H]1[C@@H]2[C@H](C[C@@H]3[C@@H]2CC[C@@H]2[C@@H]3CC[C@@H]3C[C@H](O)[C@H](O)C[C@@]32C)O[C@@]12CC[C@@H](CO)CO2 2356350052 TYEISUDLPPCZRD-NIOFVVERSA-N 434.617 3.347 0 1 IGAF COc1ccc(NC(=O)NC[C@@H]2O[C@@H](Cc3cc(-c4ccccn4)on3)CC[C@H]2O)cc1 2356770095 WZNFJEVXUVPURO-UZKOGDIHSA-N 438.484 3.018 0 1 IGAF Cc1nc(C)c2c(O)cc(=O)n(Cc3ccc(-c4ccccc4-c4nnn[nH]4)cc3)c2n1 1484180 YROKAAIPBSCMJN-UHFFFAOYSA-N 425.452 3.009 0 1 IGAF C[C@](CCCN)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 26164313 CGWXSNUWEKOMLJ-BOKIZHHKSA-N 427.589 3.394 0 1 IGAF COc1ccccc1N1CCN(CCc2oc(=O)n(C(C)=O)c2-c2ccc(F)cc2)CC1 26295594 IKZYHKSKQYKFKQ-UHFFFAOYSA-N 439.487 3.281 0 1 IGAF CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)nc2n(C)c1=O 29055772 SSDNDHADKQNKGD-UHFFFAOYSA-N 446.433 3.010 0 1 IGAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(-c4ccc(O)cc4)ccc3nc2-1 71296983 MJQFJIWFHYELRY-SANMLTNESA-N 440.455 3.452 0 1 IGAF Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5ccccc5)CC(=O)N4[C@H]3CO)cc2)c1 95798049 BCKVPVVORVDOKW-USZFVNFHSA-N 426.516 3.473 0 1 IGAF CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccccc3)C(F)(F)F)c(=O)c2=O)c1O 101177025 IPLGVPPLWIAZSG-IBGZPJMESA-N 433.386 3.149 0 1 IGAF Cn1cnc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2c1=O 147824873 OERCTYFZFZUDFR-UHFFFAOYSA-N 437.459 3.222 0 1 IGAF CCOc1cc([C@@H]2NC(=O)N=C(c3cnn(C)c3)[C@H]2c2ccsc2)cc(C(=O)O)c1O 169702736 DPYAPXGKXDSLIM-IRXDYDNUSA-N 440.481 3.322 0 1 IGAF Cn1cc(CNC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)cn1 169704134 WAHDCQYLZWQRBB-LJQANCHMSA-N 437.454 3.013 0 1 IGAF Cc1noc(C)c1S(=O)(=O)N(C)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 261120562 JLHWRIRKEBHAQS-LSBZLQRGSA-N 427.517 3.319 0 1 IGAF N[C@@H]1C[C@@H]1c1ccc(OCC[C@H](NC(=O)c2ccc(O)cc2)C(=O)Nc2ccccc2)cc1 261140484 MZQZUCSIMIFCIC-SMIHKQSGSA-N 445.519 3.413 0 1 IGAF Nc1ncnc2c1C(=O)N(c1ccc([C@H]3CC[C@H](CC(=O)N4CCCC4)CC3)cc1)CCO2 261177444 VGEOYWKVBHUKKJ-IYARVYRRSA-N 449.555 3.384 0 1 IGAF O=S(=O)(Nc1ccccc1-c1nc2c(O)nc(S)nc2[nH]1)c1cc(F)ccc1F 587141275 PLURVVYUVJESPE-UHFFFAOYSA-N 435.437 3.093 0 1 IGAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587231850 RISKGWCFGCRMMI-UHFFFAOYSA-N 438.381 3.067 0 1 IGAF CCCS(=O)(=O)N1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587370924 YVTIZSYCYHQPFK-FQEVSTJZSA-N 433.501 3.465 0 1 IGAF CCOC(=O)c1nn(C)c2c1CCC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583403 VYJUNZJFWYRGMY-UUOWRZLLSA-N 434.448 3.496 0 1 IGAF CC(C)(C)OC(=O)N1C[C@@H]2CO[C@H](C1)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587595029 ODIRYICBOLWYFV-DJVOCCORSA-N 439.464 3.358 0 1 IGAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587934015 FBCGDXQSNADLCD-UHFFFAOYSA-N 439.537 3.165 0 1 IGAF Nc1ncc(-c2ccncc2)nc1-c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1 1772651744 PTDAVSTWSKJTOQ-OAQYLSRUSA-N 429.455 3.390 0 1 IGAF Cc1c(C(=O)NCc2ccc(S(C)(=O)=O)nc2)cnn1-c1ccc(Cl)c(Cl)c1 1857553206 RJVVUUKZPLAIFJ-UHFFFAOYSA-N 439.324 3.216 0 1 IGAF N=C1NC(N2CCOCC2)=N[C@H](c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)N1 1857561830 UVBSLKUYXZBPIB-HXUWFJFHSA-N 435.919 3.007 0 1 IGAF CN[C@H]1CCN(c2cc(F)c(CCNC(=O)c3sc4nc(C)ccc4c3N)cc2F)C1 1857580961 IEIOWRUNQAFZKJ-AWEZNQCLSA-N 445.539 3.236 0 1 IGAF COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1O 2356397609 GILRSQFSEAWGIA-CVEARBPZSA-N 432.469 3.010 0 1 IGAF BO[C@H](CCCCNC(=O)n1ccnc1)NC(=O)OCC1c2ccccc2-c2ccccc21 2356487503 DDOAQMJVFQNNQB-JOCHJYFZSA-N 446.316 3.041 0 1 IGAF COc1ccc(OC)c([C@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2Cc2cccnc2)c1 1794498 LGJORJHUCGZWEW-UXHICEINSA-N 436.489 3.312 0 1 IGAF O=C(N[C@H]1CCCc2ccccc21)c1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 9860347 KSLPEULWFOYSJK-ZCNNSNEGSA-N 441.578 3.174 0 1 IGAF COCCCN(CCOC)c1nc(C)nc2c1ncn2-c1c(Cl)cc(OC)cc1OC 13795034 NGTQGJQTVUJPJE-UHFFFAOYSA-N 449.939 3.284 0 1 IGAF CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)n(C)n2)CC1 26469096 OALIYDQKZULGGT-UHFFFAOYSA-N 425.577 3.042 0 1 IGAF C[C@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C 28524526 KSCGPLKTYDMRJM-VIFPVBQESA-N 427.288 3.429 0 1 IGAF COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O)ccc1OCCCn1ccc2cccnc21 28706694 GUMLEPLBDXGUCF-FQEVSTJZSA-N 436.468 3.227 0 1 IGAF CC[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1 32016745 GKEQCPSVAHRKLP-ZDUSSCGKSA-N 431.414 3.294 0 1 IGAF COc1ccc(OCCCO)c(CCNC(=S)Nc2ccc(Br)cn2)c1 40861933 STXVAWQIESPKLQ-UHFFFAOYSA-N 440.363 3.143 0 1 IGAF COc1ccc(N2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3Cl)N(C)C2=O)cn1 95565709 SSQUBKOCLMDUIO-AWEZNQCLSA-N 442.825 3.319 0 1 IGAF CCOC(=O)[C@]1(C(=O)NCc2ccc(F)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95595303 VHKZPGOVNGOHPJ-UZUQRXQVSA-N 431.460 3.205 0 1 IGAF CCOC(=O)[C@]1(C(=O)NCCc2cccc(F)c2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95598289 FGYGZZYLVLLNNY-HOYKHHGWSA-N 445.487 3.247 0 1 IGAF O=C(Nc1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)C2)N[C@@H]1CC[C@H](c2ccccc2)C1 169704994 ONAHFNVLVGMRIM-NOXFTYBFSA-N 434.540 3.340 0 1 IGAF CN1CCN(c2nc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)ns2)CC1 169706714 OLXPGTPTCKHTFO-UHFFFAOYSA-N 435.561 3.442 0 1 IGAF C[C@@H]1CC[C@@H](Oc2cc(Br)ccn2)CN1C(=O)c1ccccc1-n1nccn1 220749095 WIBUVWKPGPLBOZ-GDBMZVCRSA-N 442.317 3.497 0 1 IGAF O=C(N[C@H]1CC[C@H](O)CC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 261183741 WTGWCKJMZHWOAA-JXXFODFXSA-N 441.482 3.382 0 1 IGAF CN(C)CCOc1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1 586955479 JITNBVJGNFAUDH-UHFFFAOYSA-N 434.949 3.218 0 1 IGAF CN(C)S(=O)(=O)c1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167650 PLTZCHZCXYJPDQ-SFHVURJKSA-N 431.493 3.321 0 1 IGAF Clc1c(Br)cnc2[nH]c(-c3nccnc3I)nc12 587186269 GOXBYTVQNAVHDN-UHFFFAOYSA-N 436.438 3.435 0 1 IGAF COc1cc2c3c(c1)O[C@]1(C(C(=O)O)=COc4ccc(Br)cc41)[C@@H](C2)C3=O 587419031 RIIWFUKDNSFSDO-RBZFPXEDSA-N 429.222 3.462 0 1 IGAF CCOC(=O)[C@]1(c2cc(OC)ccc2OC)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962618852 CKVUXGHKDNENLO-MYYSRTQBSA-N 429.513 3.404 0 1 IGAF CNCCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@H]2C[C@@H](OC)C2)c(=O)n4C)cn1 1772593143 NLDJVYUQOPIMNA-KDURUIRLSA-N 447.539 3.288 0 1 IGAF COc1ccc(CN(C)[C@H](C)c2ccc3c(c2)CCO3)cc1OCCN1C(=O)CCC1=O 1772617533 CSWTWMSGPXPHMO-QGZVFWFLSA-N 438.524 3.351 0 1 IGAF COc1cc(-c2nnc(O)n2C)ccc1Nc1ncc2cc[nH]c(=NCC(C)(C)C)c2n1 1857767686 SGJKHSDOFWLFPR-UHFFFAOYSA-N 434.504 3.158 0 1 IGAF COC(=O)[C@]1(C)N[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 36386454 DWUQMECUPYUAFU-OZQHCQBDSA-N 447.318 3.467 0 3 IGAF CC(=O)Nc1ccc(N2CCN(CCCCc3c[nH]c4ccc(C(N)=O)cc34)CC2)cc1 13582450 YAHUFCAARVRTSU-UHFFFAOYSA-N 433.556 3.370 0 1 IGAF C=C(C)[C@@H]1Cc2c(ccc(C(=O)O)c2O[C@H]2COc3cc(OC)c(OC)cc3C2=O)O1 14688491 PIQZKVNWXMPJLU-JXFKEZNVSA-N 426.421 3.304 0 1 IGAF biogenic COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)[C@H](O)[C@H]3COC[C@@H]23)cc(OC)c1OC 15161065 LFNWRGIHYDICIR-ITIOGAGCSA-N 446.496 3.180 0 1 IGAF biogenic COc1ccccc1-c1cc(-c2c(OC)cc(OC)c([C@H]3CCN(C)[C@H]3CO)c2O)n[nH]1 64337830 MHNKWPGDCBTYDT-YJBOKZPZSA-N 439.512 3.255 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2ccco2)C1 82199396 GNCMIMKLNOQTKM-MOPGFXCFSA-N 430.501 3.013 0 1 IGAF O=C(Nc1ccccc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO 95866896 VXOIHSRQZAPVKT-RBDMOPTHSA-N 439.491 3.205 0 1 IGAF COc1ccccc1C(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 95893856 WKLKXIDABFQCTN-PLXFJCCSSA-N 442.515 3.254 0 1 IGAF CCOC(=O)[C@@H](CC)N1C(=O)[C@H](C)Oc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21 103175968 ARBWOBJTYPGUSS-BLLLJJGKSA-N 444.459 3.025 0 1 IGAF Cc1noc(C)c1Cn1cc(N2C(=O)N(CCc3cccc(F)c3)C(C)(C)C2=O)cn1 116674937 MSVXVASOHQVHHW-UHFFFAOYSA-N 425.464 3.465 0 1 IGAF CN(C[C@@](C)(CCN1CC[C@@H]2NCC[C@H]2C1)c1ccccc1)S(=O)(=O)c1ccccc1 253681562 BGPCWZSXSNZJJJ-GVXSCFBNSA-N 441.641 3.339 0 1 IGAF CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=C[C@@H]3O[C@@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 299806710 MSHYYZSYRGWFES-SQIZXSEQSA-N 437.558 3.071 0 1 IGAF CC(C)[C@H]1CC(=O)N(C[C@H]2CC[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2)C(=O)N1 299864215 QWAPSSBMNTVLRZ-KCZVDYSFSA-N 440.588 3.108 0 1 IGAF CN1C(=O)N(C)C(=O)C2(C1=O)[C@H](c1ccc(F)cc1)CC(=O)C[C@@H]2c1ccc(F)cc1 473247912 JLGBGTKRGWYOKA-KDURUIRLSA-N 426.419 3.232 0 1 IGAF CCCc1c(O)ccc2c1O[C@](CC(=O)C(=O)OC)(c1ccc(OC)c(OC)c1)CC2=O 587484224 XEVBUOXWEOHIJO-XMMPIXPASA-N 442.464 3.355 0 1 IGAF Cc1c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cnc2c(C(=O)O)cnn12 587797787 TYWHSZZNLPCRKM-UGZDLDLSSA-N 433.281 3.435 0 1 IGAF O=C1[C@H](Cc2ccc(F)cc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 1772600199 QNQUEHVUHKTLAQ-GHTKZFCCSA-N 449.522 3.133 0 1 IGAF COC(=O)c1ccccc1NC(=S)N(CCO)Cc1cc2cc(C)ccc2nc1O 1911585942 DGWUGLXGDMWAHK-UHFFFAOYSA-N 425.510 3.227 0 1 IGAF O=C(NCc1ccc(Cl)cc1)C1CCC(CNc2c(N3CCCC3)c(=O)c2=O)CC1 101924891 MYZWJOCLVXNRNU-UHFFFAOYSA-N 429.948 3.071 0 3 IGAF COC(=O)[C@H](Cc1ccccc1I)C1=CCC2(CC1)OCCO2 1861340 WWSDPLYIMKUEOL-OAHLLOKOSA-N 428.266 3.476 0 1 IGAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCCOC 4041916 RFCBREJBWLAUBY-GMAHTHKFSA-N 425.529 3.396 0 1 IGAF CCCCNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cc(OC)ccc1OC 4500153 ULXQGMMBOAHALT-UNMCSNQZSA-N 440.540 3.420 0 1 IGAF COc1cc2c(cc1OC)[C@H]1C[C@]3(CCN1CC2)C(=O)N(c1ccccc1)C(=O)N3C(C)=O 17249030 JAYCKXDLLPVWKA-CJFMBICVSA-N 449.507 3.151 0 1 IGAF COCCNC(=O)[C@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccc(Cl)cc4)nc23)C1 20564638 MSOPKJDHBHFOPS-INIZCTEOSA-N 442.951 3.065 0 1 IGAF CC(C)(CC(=O)O)CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2cccc(C#N)c2)c1=O 25430836 VYCBWDLYTLALOK-MJGOQNOKSA-N 433.508 3.224 0 1 IGAF biogenic N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2Cl)C1 27525641 XUZWZSQEKYMOJR-SNVBAGLBSA-N 437.805 3.297 0 1 IGAF O=C(N[C@H](Cc1ccccc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1 29057077 GNALBMXZWTYWAG-OAQYLSRUSA-N 425.916 3.146 0 1 IGAF O=C1[C@@H]2[C@H](C(=O)N1c1ncccn1)[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 72115064 KUSNEWYFQKHIMI-NZEIXTDOSA-N 447.920 3.428 0 1 IGAF O=C(NCC1CCC1)c1nccnc1NC(=O)c1ccc(Cn2ccnn2)c2ccccc12 95594647 WGBXCFFEQOKHNE-UHFFFAOYSA-N 441.495 3.052 0 1 IGAF COc1ccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@@H]34)cc2)cc1 95797560 XZTHWMVTNWXISA-JBRSBNLGSA-N 434.536 3.050 0 1 IGAF CN(C)CC(=O)N1CCCCN2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 95877039 ZAHXKZOKOUSJMC-WUBBLUHPSA-N 433.596 3.170 0 1 IGAF CN1CCN(/C=C2\N=C3CN=C(c4ccccc4F)c4cc(Cl)ccc4N3C2=O)CC1 148227822 PSUWKGSVQHDHQG-RGEXLXHISA-N 437.906 3.164 0 1 IGAF O=C(NCCc1cnc[nH]1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 169704136 OOFWNPIPNPKKSR-LJQANCHMSA-N 437.454 3.045 0 1 IGAF Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1 205637941 FXQXRXUKLGCVRL-GUTXKFCHSA-N 448.499 3.034 0 1 IGAF O=C(NS(=O)(=O)CCO)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F 216203176 YAXNFZCOUFNZRZ-UHFFFAOYSA-N 445.940 3.126 0 1 IGAF Cc1ccc(-c2ncc([C@H](C)Nc3nc(C)cc(N4C(=O)OC[C@@H]4[C@@H](C)O)n3)s2)cn1 221674483 ZJUXDIOBFVYEMM-SQWLQELKSA-N 440.529 3.491 0 1 IGAF COc1cc(/C=C/C(=O)NCCCCNC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1C 238738371 XMAHWASYTUQLBT-JOWSBRCASA-N 438.524 3.457 0 1 IGAF CCOC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2c1 586945835 MIKOBZHCYDIDRY-INIZCTEOSA-N 443.525 3.172 0 1 IGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2c(C)c(Br)cnc2[nH]1 586965509 ZUPIJSLDZDYPQL-UHFFFAOYSA-N 447.366 3.486 0 1 IGAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587111395 BTGKLGJEWQEZCE-SFHVURJKSA-N 425.432 3.385 0 1 IGAF CC1=C(c2ccc3nc([C@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3c2)NNC(=O)C1 587149553 NHWPJUBOQILLCW-HNNXBMFYSA-N 437.450 3.113 0 1 IGAF N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccnc(O)c4[nH]2)cn3C2CC2)C1 587172526 HTNAOZFHTDZSBQ-ZDUSSCGKSA-N 448.502 3.437 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 587766114 FLSBKWBXSILELQ-WBUIGNHESA-N 443.313 3.412 0 1 IGAF Cn1cc(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4ccccc4)c(F)c3)c2F)cn1 1772607828 LUYPJEVMNQEVGX-HXUWFJFHSA-N 449.461 3.473 0 1 IGAF CO[C@@H]1C=CC=C(C)Cc2cc(O)cc(c2)NC(=O)C[C@H](O)C(C)=C[C@H](C)[C@H](O)CC1=O 2356483316 YGIOUPVSUFMGBC-JNTAVDMJSA-N 443.540 3.058 0 1 IGAF O=Cc1ccc([C@H](C2CCCC2)[C@@H]2[C@H]3C=C[C@H]4[N@]2[C@@]4(O)[C@@H]3[C@@H]2CC[C@H]3[C@H](CC[C@H]3O)N2)cc1 2356779946 GTODSAFMWHFGPS-OOXRNPSTSA-N 448.607 3.222 0 1 IGAF CCN(CCn1cccn1)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 12712698 RZHKRQGSCJWMLC-RUZDIDTESA-N 434.584 3.203 0 3 IGAF COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccccc3)c(OC)c1)[C@H]1C(=O)N(C)C(=O)[C@H]12 61959722 GYJRWOHYHBYGBQ-IFOBJOEFSA-N 448.519 3.046 0 3 IGAF COc1ccc(-n2nnnc2[C@@H](C2CC2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 72141147 IHONVXCPIIHWGQ-GGXQVSFTSA-N 430.556 3.453 0 3 IGAF COc1ccc(Cc2cc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(N)n2)cc1 593145 XGABLOCLVRMQOH-UHFFFAOYSA-N 446.507 3.407 0 1 IGAF CN(C)c1ccc(C2=NO[C@H](c3cccc4ccccc34)[C@@H]2C(=O)NCCOCCO)cc1 4041110 ACAHSLSSYAPOOZ-ILBGXUMGSA-N 447.535 3.123 0 1 IGAF COc1cc2ncnc(N3CCN(C(=S)N(C)Cc4ccccc4)CC3)c2cc1OC 13491551 PPSBBJNODUNOKI-UHFFFAOYSA-N 437.569 3.186 0 1 IGAF COC(=O)[C@H]1[C@H](c2ccccc2)NC(=O)N(CCc2cc(OC)c(OC)c(OC)c2)[C@@H]1C 13816366 AHKBLVRZDVXQIO-LPTQZCDUSA-N 442.512 3.199 0 1 IGAF CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnnc2ccccc12 26287061 JESHDLWVNNQEEX-YGOYIFOWSA-N 448.567 3.130 0 1 IGAF Nc1nc(NCc2ccccc2-c2ccccc2)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1 45245382 KSQQAJZMSMCHHK-NRFANRHFSA-N 440.507 3.354 0 1 IGAF NC(=O)c1c(-c2ccc(Oc3ncccn3)cc2)[nH]c(C(=O)c2c(F)cccc2F)c1N 45336899 VXGVREQSKUBURM-UHFFFAOYSA-N 435.390 3.454 0 1 IGAF O=C(NC[C@@H](O)c1ccccc1)c1ccc(N2CCC3(C=Cc4ccccc4O3)CC2)nn1 45389119 JROGONHUURMXMQ-JOCHJYFZSA-N 442.519 3.385 0 1 IGAF CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@@H]2O5 169373230 OIJXLIIMXHRJJH-VNBGXLQLSA-N 425.569 3.388 0 1 IGAF CNc1nc(Nc2ccc(C(=O)N3CCN4CCCC[C@H]4C3)cc2OC)ncc1Cl 169705013 ZEIFLLGKRNPCOK-HNNXBMFYSA-N 430.940 3.234 0 1 IGAF C[C@H](NC(=O)N(C)C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 261148907 OLWMAXKMBYVYPU-MAUKXSAKSA-N 448.518 3.168 0 1 IGAF CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 587396162 QBIPINWKDJFADT-HOYKHHGWSA-N 438.480 3.113 0 1 IGAF CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(N)=O 587746861 ILGASOYBYFNOGZ-GIPWTMENSA-N 437.309 3.475 0 1 IGAF C[C@@]1(F)CCN(c2nc(-c3cnc(N)c(C(F)(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1 653685068 USYJIBLHVJKTEG-WTOJCKNJSA-N 438.429 3.055 0 1 IGAF NS(=O)(=O)c1ccc(Nc2cn(-c3nc(C(=O)O)cs3)nc2-c2ccccc2)cc1 1772653870 FNCXDCCNGFASCI-UHFFFAOYSA-N 441.494 3.085 0 1 IGAF COc1cc(C(=O)[C@H](C)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)c1OC 2356469565 SECJGGUDGJJKDQ-AWEZNQCLSA-N 432.469 3.385 0 1 IGAF Cc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 4119237 YYTIMHCPHWAKOV-UHFFFAOYSA-N 432.590 3.380 0 3 IGAF CCN(c1ccc(OC)cc1)S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(C)c2)C1 8911928 LDIQVUSSSHHIIX-FQEVSTJZSA-N 445.585 3.103 0 3 IGAF COCCCN[C@@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 2489434 MFTSKJQXRWWTSM-LEWJYISDSA-N 443.588 3.238 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@](C)(O)[C@@H]2O 15262602 BFELOFVXWJZJNF-YHXQQEPPSA-N 432.469 3.093 0 1 IGAF biogenic Cc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 15927970 CEWMFCSXOXUMBL-IZZDOVSWSA-N 449.370 3.304 0 1 IGAF CCCNC[C@@H]1CCCCN1CCNC(=O)N1c2ccccc2C(=O)Nc2cccnc21 26985863 JUKDBYFHSWPKBN-SFHVURJKSA-N 436.560 3.349 0 1 IGAF CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(NCc3ccccc3)ncc2c1=O 40898990 MDSVXZNMKUVMPK-UHFFFAOYSA-N 441.491 3.173 0 1 IGAF OCc1cc([C@@H](O)CNCCc2ccc(NC[C@@H](O)c3ccc(F)cc3)cc2)ccc1O 73224095 PQJGOUGXSMWICU-LOSJGSFVSA-N 440.515 3.035 0 1 IGAF COc1cc2nc(N3CCCCCC3)nc(NCCCN3CCOCC3)c2cc1OC 82125355 HLJJHPIOZZKBIK-UHFFFAOYSA-N 429.565 3.162 0 1 IGAF CCOC(=O)[C@@]1(C(=O)NCCc2cccc(F)c2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95598290 FGYGZZYLVLLNNY-KOSHJBKYSA-N 445.487 3.247 0 1 IGAF C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@@H]1CN(C)Cc1ccccc1 95847437 GITVYJRSHAAVMX-SFYKDHMMSA-N 425.573 3.105 0 1 IGAF O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)[C@H](Oc2ncc3ccccc3n2)C1 149569398 FDQBVPXGICYVJR-LJQANCHMSA-N 436.422 3.139 0 1 IGAF CC[C@@H](NC1=N[S@@](=O)N=C1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C(C)C)co1 253838960 FKEAPOKGKRZRRW-LHEBDHONSA-N 445.545 3.353 0 1 IGAF Cn1nccc1CS(=O)(=O)Cc1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586921174 DTYIILVFWKREAX-UHFFFAOYSA-N 437.241 3.193 0 1 IGAF COC(=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 587002808 OLYPHLGHALZLBH-UHFFFAOYSA-N 430.258 3.080 0 1 IGAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3c(F)cnc(Br)c3[nH]2)cc1 587227886 AJNBPQORNNKDMK-UHFFFAOYSA-N 436.241 3.358 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@H]1C(=O)OC 587474628 IXJSNGAQKTUYEC-QMHKHESXSA-N 433.501 3.479 0 1 IGAF CC(C)(C)OC(=O)N1CC2(C1)OC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587597670 VYERGDWMDYVHNX-GAJHUEQPSA-N 425.437 3.112 0 1 IGAF COc1cc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2N)oc(=O)c1 963135814 FGRFRENMPAMSPO-HSZRJFAPSA-N 436.464 3.036 0 1 IGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(C)c1cnc2ccc(Cl)nn12 963136290 DWFZVIZDFCAEKF-WLRWDXFRSA-N 449.920 3.349 0 1 IGAF COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CNC(=O)N4CCOCC4)C=C3C)[nH]c2n1 2356286648 JXBYXAHPKLAVOV-OTWHNJEPSA-N 441.576 3.405 0 1 IGAF CCOc1cc(C[C@@H]2CO[C@H](O)[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc2c1OCO2 2356347423 PPKABVGOUVBEEX-KCYKTTMJSA-N 446.496 3.206 0 1 IGAF CN(C)c1ccc(-c2cc([C@@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)c3ccco3)n(C)n2)cc1 2356866100 VMDUHDYJIHUWAY-CEWLAPEOSA-N 433.556 3.354 0 1 IGAF Nc1nc2c(nc(Br)n2[C@H]2CCCc3cccc(Br)c32)c(=O)[nH]1 589850 QLRAFBKUHQNNFZ-VIFPVBQESA-N 439.111 3.153 0 1 IGAF COc1ccc(Cn2cnc3c2C[C@@H](C(=O)O)N(C(=O)N(C)c2ccccc2)C3)cc1C 13446728 DFFNEJAPSCUZNT-NRFANRHFSA-N 434.496 3.316 0 1 IGAF CCOc1ccc(Cc2cc([C@@H]3O[C@H](OC(C)C)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 45322216 UTJMJMFVPBQKQV-VROINQGHSA-N 436.932 3.235 0 1 IGAF CCC(=O)N1CC2(C1)CN(Cc1cccc(OC)c1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 95865564 MHGHPTUGNNKJHC-JOCHJYFZSA-N 449.551 3.224 0 1 IGAF O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccc(F)cc1 95893980 UYTFWLFJSUVKLV-CUYJMHBOSA-N 430.479 3.384 0 1 IGAF COc1cc([C@@H]2OC[C@@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@@]23OC(C)=O)ccc1O 100822172 ZVILPMKYRJCFAE-FGSBKAERSA-N 430.453 3.179 0 1 IGAF endogenous,in-man Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)c(F)c1 144339804 GNEIAVSENMALRU-DYVFJYSZSA-N 435.456 3.004 0 1 IGAF O[C@](CN1CCC(OCc2ccc(F)cc2)CC1)(Cn1cncn1)c1ccc(F)cc1F 169323149 SNOZSKHREOQLMD-HSZRJFAPSA-N 446.473 3.264 0 1 IGAF CN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)Cl)cc2)cc1-c1cncnc1 224446320 OLSVTWHLZWGXCT-UHFFFAOYSA-N 449.845 3.387 0 1 IGAF COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352560 OZSFLEMWXLTNHV-WKUQZLKGSA-N 428.412 3.001 0 1 IGAF COc1ccc(CCNc2c(C)nc3c(N4CCOCC4)nccn23)c(Br)c1 1772602361 AKOIZULKKAEICR-UHFFFAOYSA-N 446.349 3.300 0 1 IGAF O=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCC(CC2CCCC2)CC1 1857584158 YTUBVUQJYKQREE-UHFFFAOYSA-N 441.620 3.349 0 1 IGAF O=C(O)c1ccc(CN2C(=O)c3ccc(Cl)cc3NC(=O)[C@@H]2Cc2cnccn2)cc1 1857760232 GNMHLBKRLGPXCU-IBGZPJMESA-N 436.855 3.034 0 1 IGAF CCC[C@H](NC(=O)C(C)(C)NCCCC1CCCCC1)C(=O)N[C@@H](CC(C)C)C(N)=O 3952035 BWWXLLHBVYXYQQ-PMACEKPBSA-N 438.657 3.016 0 1 IGAF CN[C@@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(OC)cc5)sc4c3=O)cn2)C1 36351525 AMJSRKIPZBGEJM-QGZVFWFLSA-N 433.537 3.316 0 1 IGAF CN1CCN(C(=O)c2ccc(C[S@@](=O)c3cccc(Cl)c3)c(Cl)c2)CC1=O 40411711 MGPUWOBDBGFEMR-MHZLTWQESA-N 425.337 3.215 0 1 IGAF O=C1OCC2=C1[C@@H](c1cc(Br)cc(Br)c1)c1c(O)n[nH]c1N2 71294775 METCMQICIRZQAF-SECBINFHSA-N 427.052 3.009 0 1 IGAF O=C([C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1)N1CC[C@H](O)C1 72177901 YGQOORWVQMHJON-HFJQGTKSSA-N 442.519 3.233 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N(CC(C)C)CC(C)C)c(-c3ccco3)n2)CC1 82143058 BMEARISXKQSCKE-UHFFFAOYSA-N 427.549 3.159 0 1 IGAF CNC[C@@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@H]1C 95662499 NEAMIVWIATVNNI-STSQHVNTSA-N 435.568 3.423 0 1 IGAF Cn1c2c(c(=O)[nH]c1=O)[C@@H](c1cccc(Br)c1)C1=C(O)c3ccccc3C1=N2 104079790 DQDCWMYHQFRXTF-AWEZNQCLSA-N 436.265 3.385 0 1 IGAF COCc1cccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C23CC3)c1 115732875 AGTQUZZVROQPER-UHFFFAOYSA-N 435.484 3.184 0 1 IGAF COc1cc(N2Cc3nn(-c4ccc(Cl)cc4)nc3C2=O)ccc1OC[C@@H](O)C1CC1 118220324 FJKAXVLEHQECDS-GOSISDBHSA-N 440.887 3.239 0 1 IGAF Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1 143745660 RJZUGXNAXUOKRX-UHFFFAOYSA-N 436.947 3.491 0 1 IGAF CC(C)COC(=O)[C@@H]1[C@@H]2C=C[C@@]3(CN([C@H](C)c4ccc(Br)cc4)C(=O)[C@H]13)O2 169693803 DDFQFNJRRUYFJF-YOZCEPSOSA-N 434.330 3.491 0 1 IGAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3CCN(CC(=O)N(C)CCO)CC3)cc12 226057802 UFFCHUJEEXCLCR-UHFFFAOYSA-N 440.519 3.008 0 1 IGAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2nc(Br)c[nH]c-2n1 587114359 ZNKFUTDDSBLJDY-OAHLLOKOSA-N 428.212 3.485 0 1 IGAF CNS(=O)(=O)c1sccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611041 ZCHQQYMYMNYDTG-UZLBHIALSA-N 431.491 3.239 0 1 IGAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587933527 ZHJIXXQZORIQGV-JTSKRJEESA-N 427.526 3.038 0 1 IGAF C=CN1CC[C@@H]([C@]2(c3cnccn3)NC3(CC3)Cc3ccc(Br)cc32)C1=O 961323117 LQYDRBAWVSLJOS-IERDGZPVSA-N 425.330 3.153 0 1 IGAF CC[C@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2cccc(C)c2C)CC1 95566450 NIJZAQQVGMUHPJ-HXUWFJFHSA-N 434.544 3.324 0 3 IGAF Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(O)c2)n1 13529932 GDVVTVMDKSDQLG-UHFFFAOYSA-N 448.504 3.453 0 1 IGAF O=C(CCCCO[N+](=O)[O-])OCOc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 49115807 PNBZBNLSOIJVIP-UHFFFAOYSA-N 429.381 3.424 0 1 IGAF O=c1c(NCc2ccc(O)cc2)c2n(c(=O)n1Cc1ccsc1)[C@@H](c1ccccc1)CN2 82208699 HBTFHJFDFWIVAD-HXUWFJFHSA-N 446.532 3.452 0 1 IGAF Cc1ccc(N2O[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3[C@@H]2c2ccc(O)cc2)cc1 84671885 VEEJKPSQNNEMBP-FDFHNCONSA-N 444.443 3.450 0 1 IGAF O=C(Nc1cc(Cl)ccc1OC1CCC(O)CC1)c1cnn2cc(CCCO)cnc12 113654342 YTVYVXQFDXZHAT-UHFFFAOYSA-N 444.919 3.242 0 1 IGAF Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCC3)n2)cc1OC(F)(F)F 148104251 GZLFGSKHYPNFEH-QWHZDKJVSA-N 435.450 3.195 0 1 IGAF O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(COc2ccc(F)cc2)cc1 169290461 KKAREXGDOFNMHY-PZENNZQWSA-N 432.451 3.103 0 1 IGAF NC1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2ccn[nH]2)C1 224434227 ZICZQIKSRSQVCN-UHFFFAOYSA-N 434.834 3.039 0 1 IGAF CO[C@@H]1C=CC=CC=CC[C@H](O)C[C@H](O)CC=CC=CC=CC(=O)O[C@H](C[C@@H](C)O)C1 299807748 SZPWNRYGTQYOLD-KEJFTWOCSA-N 432.557 3.317 0 1 IGAF O=C([C@H]1CCCCN1C(=O)COc1ccccc1)N1Cc2ccc([C@H]3CCOC3)cc2C1 299854786 BQKXLNBWWATGRI-XUZZJYLKSA-N 434.536 3.493 0 1 IGAF NC(=O)C[C@]1(C(=O)O)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587332231 FQEAWWJRPJHCSO-AJSBUHFISA-N 427.428 3.149 0 1 IGAF CCOC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437241 YQNMGKTYUZDRED-VBURHUQHSA-N 431.485 3.144 0 1 IGAF C[C@H](NS(=O)(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1)C(=O)O 587532489 NNHXZOXGILBXMO-RNODOKPDSA-N 429.494 3.023 0 1 IGAF Cc1ccc(S(=O)(=O)N2CC3(C2)N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 587843330 YROFUHNJWXWLCV-CYBMUJFWSA-N 439.350 3.331 0 1 IGAF Cc1c2c(nn1C)[C@H](c1cc(Br)ccc1OC(F)(F)F)N[C@H](C(=O)O)C2 962718991 XEZYPFDEEWXCAQ-AAEUAGOBSA-N 434.212 3.078 0 1 IGAF CN1C(=O)C[C@@H]2CN[C@](CC(=O)C(F)(F)F)(c3ccc4c(c3)OCO4)c3cccc1c32 963035087 WILGNYLSRDGTJA-XUSGNXJCSA-N 432.398 3.234 0 1 IGAF OC[C@@H]1[C@H](O)C[C@H](NCc2cccc(F)c2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356288868 MATYFZSVPFNLFW-DWQJTFDBSA-N 425.479 3.112 0 1 IGAF CC(=O)O[C@H]1C[C@@H](C)[C@@](C)(C[C@@H](OC(C)=O)C2=CC(=O)OC2)[C@@H]2CCC=C(C)C[C@]12O 2356472057 KBSIJJNXWPDPEA-JOYWAKKFSA-N 434.529 3.247 0 1 IGAF CN1OC[C@@H]2CN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3Br)C[C@@H]21 199388975 MKUICICHCHODJO-JVPBZIDWSA-N 437.359 3.447 0 3 IGAF CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)NCCCOC 4296726 VRPVYYBUYLSCDD-FYYLOGMGSA-N 442.512 3.347 0 1 IGAF CC(=O)N1CCC[C@H]2CN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3Cl)C[C@H]21 26944679 YESKEBKEAFHGOU-YVEFUNNKSA-N 447.894 3.274 0 1 IGAF CCN(CC)c1nc(NC[C@@H](O)c2cc(O)cc(O)c2)nc2cc(OC)c(OC)cc12 29415605 JVYYQAOKYQRJCG-GOSISDBHSA-N 428.489 3.050 0 1 IGAF CC1(C)C[C@@]2(OC(=O)N(Cc3ccc(NS(C)(=O)=O)cc3)C2=N)c2ccccc2O1 45285000 GOJFZGPPJFXDMX-OAQYLSRUSA-N 429.498 3.444 0 1 IGAF CN1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1 45338506 FASDRXVRUNRPPG-UHFFFAOYSA-N 437.302 3.052 0 1 IGAF CC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)C[C@H](Cc1ccccc1)N2 82205494 ZVBAGESYIKEKHY-NRFANRHFSA-N 440.503 3.207 0 1 IGAF COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C(=O)[C@@H]3COC[C@@H]32)cc(OC)c1OC 85692430 UDMGAFIGOTWFTR-KHYOSLBOSA-N 444.480 3.329 0 1 IGAF biogenic O=C(Nc1ccc(S(=O)(=O)O)cn1)[C@H](CC1CCCC1)n1cnc(C(F)(F)F)c1 95556862 IMHBUDMBYJZRSG-ZDUSSCGKSA-N 432.424 3.304 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(C)C[C@H]1C 95688540 BBNOXYVHIXNILT-PNCHPQGNSA-N 439.556 3.375 0 1 IGAF O=C([C@H]1CCCN(Cc2ccc(Br)cc2)C1)N1CCN(c2ccccn2)CC1 103296194 VROVLWYTXKXGGO-IBGZPJMESA-N 443.389 3.405 0 1 IGAF CCN(CC)C(=O)C1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 144746465 QZGHXPYESMEKRT-QFIPXVFZSA-N 432.442 3.406 0 1 IGAF O=C(Cc1cccc(OCCCN2CCOCC2)c1)Nc1nc(-c2ccncc2)cs1 202488724 ASXCGNIXISBSFP-UHFFFAOYSA-N 438.553 3.487 0 1 IGAF N#C[C@@H](c1cccc(C(F)(F)F)c1)N1CCN(c2ncnc(N)c2Br)CC1 219313673 UWPDXHHXHOYKOI-ZDUSSCGKSA-N 441.255 3.227 0 1 IGAF O=C(N[C@H](Cc1nc2ccc(Br)c(F)c2[nH]1)C(=O)O)OCc1ccccc1 587202829 LPLRIXUBZLFEEB-CYBMUJFWSA-N 436.237 3.387 0 1 IGAF CCOC(=O)C(=O)C[C@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585797 GKGVXSPWGQBUOK-GBXCKJPGSA-N 433.416 3.167 0 1 IGAF CCOC(=O)[C@]1(c2cnc3ccccn23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589912 YRYSRSUDCZWADS-HYBUGGRVSA-N 430.416 3.460 0 1 IGAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1nc(=NC(=O)c2ccc(F)cc2)s[nH]1 587649827 CDCBFCYNDDGKHS-UHFFFAOYSA-N 430.486 3.212 0 1 IGAF O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)n1ncc2ccc(Cl)cc2c1=O 587654139 IQGYVKLOQBPWJV-UHFFFAOYSA-N 428.835 3.438 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CN)(c2ncn(Cc3ccccc3)c2N)N1 587759271 ZUPHUHBTEGPQHL-ASSNKEHSSA-N 444.352 3.152 0 1 IGAF CCOC(=O)[C@H](CC(=O)O)[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949956 DOFGDJPVBPZRNB-KXBFYZLASA-N 429.435 3.226 0 1 IGAF CC(C)(C(=O)N1CCCC1)c1ccc2c(c1)nc1n2CCN[C@H]1Cc1ccc(C(=N)N)cc1 1772569764 GWQOWRLVXRXXGY-NRFANRHFSA-N 444.583 3.107 0 1 IGAF O=C(CN1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1)NCc1ccccn1 1772588864 NRSBXZRFOUOKKW-UHFFFAOYSA-N 429.446 3.087 0 1 IGAF CN(C(=O)OCc1ccccc1)[C@@H](CCC(=O)OCC(Cl)(Cl)Cl)C(=O)O 2356876354 ZJVZPXYDHCJXOM-LBPRGKRZSA-N 426.680 3.402 0 1 IGAF CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 15941925 OGIHZFHPHPPQDP-UHFFFAOYSA-N 433.961 3.105 0 3 IGAF CN(C)CCCC(=O)OCc1c(F)c(N)c2c(=O)cc(-c3ccc(N)c(F)c3)oc2c1F 1892453 NTJZRXIRCIXVAS-UHFFFAOYSA-N 449.429 3.427 0 1 IGAF CN(C)C(=O)c1cccnc1NCCCN1CCN(c2ccccc2-c2ncco2)CC1 3825356 ARTVCNLFVFBTNS-UHFFFAOYSA-N 434.544 3.063 0 1 IGAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)N[C@@H](C)CN(C)C 4038755 SATUJTNFSKEHMZ-OWSXEPHWSA-N 438.572 3.309 0 1 IGAF O=C(c1ccc(Cn2cnnn2)cc1)N1CCOc2ccc([C@@H](O)C3CCCCC3)cc2C1 12077975 USVKWMDHGUBCIC-DEOSSOPVSA-N 447.539 3.370 0 1 IGAF CC(C)n1cnc2c(NCc3ccc(-c4ccccc4)cc3)nc(NC[C@@H](O)CO)nc21 26664435 PLJOJDPNUGVHAF-HXUWFJFHSA-N 432.528 3.451 0 1 IGAF COc1ccc2nccc([C@@H](O)CN3CCC(NCc4ccc5c(c4)OCCO5)CC3)c2c1 53046005 WZCJTDWSEDVQNY-DEOSSOPVSA-N 449.551 3.302 0 1 IGAF Cc1ccc(C(=O)Nc2cc(-c3cc4c([nH]3)[C@]3(CCCNC3)CNC4=O)ccn2)cc1C 73223715 BAYAFUAQZUNFQN-VWLOTQADSA-N 429.524 3.310 0 1 IGAF O=C1N[C@H]2CS[C@@H](CCCCCc3cn(CCCCOc4ccccc4)nn3)[C@@H]2N1 89469569 AMDLWPSQISVHEM-PCCBWWKXSA-N 429.590 3.406 0 1 IGAF CC(C)NC(=O)c1sccc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@H]1C 103298557 IOVHCRNTAVIRMU-SNVBAGLBSA-N 427.935 3.076 0 1 IGAF CN(C)CC1CCN(c2ccc(Cl)cc2NC(=O)c2cnn3cc(O)cnc23)CC1 113654472 ZXPBSKBKOLENLI-UHFFFAOYSA-N 428.924 3.119 0 1 IGAF CN1CCN(Cc2cn(S(=O)(=O)c3ccc(Br)cc3)c3ccccc23)CC1 114898436 WDGCEXWXLYNQSC-UHFFFAOYSA-N 448.386 3.388 0 1 IGAF O=C(COc1ccc2c(c1)[C@H](C1(c3ccc(Cl)cc3)CCC1)NCC2)N1CCNCC1 114983071 YOOOWVJEFSKIMH-XMMPIXPASA-N 439.987 3.459 0 1 IGAF O=C(c1cccc2c1OCCO2)N1C[C@@H]2CN(c3nccc(-c4ccccc4)n3)C[C@H]2C1 116821863 OSJYLJVNZXBKNH-RTBURBONSA-N 428.492 3.123 0 1 IGAF Cc1cc(N2C(=O)c3nn(C4CN(C)C4)c(C)c3[C@H]2c2ccc(Cl)cc2)cn(C)c1=O 261143356 NKRWXLLSKYGFGB-OAQYLSRUSA-N 437.931 3.088 0 1 IGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NC[C@@H]3CCN(C4CC4)C3)c2cn1)c1ccccc1 261158714 QJNHMGLJGQGKDJ-CVEARBPZSA-N 447.543 3.055 0 1 IGAF CCCCC[C@H](C[C@H](O)CCc1ccc(O)c(OC)c1)SC[C@H](NC(C)=O)C(=O)O 299851150 ABKUCVOVKDVODS-QRVBRYPASA-N 441.590 3.356 0 1 IGAF COC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 587396639 VBJRVKAINRJBQK-WNSKOXEYSA-N 432.517 3.491 0 1 IGAF CCOC(=O)C[C@]1(CCS(=O)(=O)c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587409788 UCXMAHMFZQAYOA-QHCPKHFHSA-N 445.537 3.407 0 1 IGAF CC(C)(C)OC(=O)CN1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C[C@H]1C(=O)O 587518163 CIDGQAMFCUUONJ-MHECFPHRSA-N 429.513 3.160 0 1 IGAF COC(=O)[C@@H](C)[C@@]1(c2cccc(Br)c2)NCCc2ccc(C(=O)N(C)C)cc21 962919393 ATHGRMGQVMGTDG-PEBXRYMYSA-N 445.357 3.349 0 1 IGAF Cc1c(Br)ccc2c1[C@@]1(N[C@@H](C(=O)O)Cc3c1cnc1ccccc31)C(=O)N2 963236984 TXDRBCVTYXOFHJ-DYESRHJHSA-N 438.281 3.100 0 1 IGAF C[C@@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2cc(F)c(F)c(F)c2)C1 1772588960 VDIIMMGYDFXAHS-NSHDSACASA-N 449.433 3.125 0 1 IGAF O=C1CN(c2nccc3ccccc23)CCN1CCCNc1cc(=O)oc2ccccc12 1857603515 YTDKGEYCTSUSHX-UHFFFAOYSA-N 428.492 3.492 0 1 IGAF CC1=C[C@H](CNC(=O)COc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 2356305292 SWTQFVNKARZODO-ZDXQCDESSA-N 441.616 3.200 0 1 IGAF CC(=O)O[C@@H]1[C@H](OC(C)=O)C23CCC(CC2)C[C@@H]3[C@@]23CCC[C@@](C)(C(=O)N4CCO[C@@H]42)[C@H]13 2356433319 GZHPXFIYJDGMKK-RSGHPOMGSA-N 445.556 3.051 0 1 IGAF CC1=C[C@H](CN2CCC(C(N)=O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356588070 HNQWBEHXAJTWHA-ZCNNSNEGSA-N 440.592 3.065 0 1 IGAF CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N[C@@H]1c1ccc(C(F)(F)F)cc1 61958863 BKTUEKAILNBVIQ-MRXNPFEDSA-N 430.404 3.137 0 3 IGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NC[C@@H](O)CC)c1 4152400 XEYQPSSYQUXTHG-HYVJGQCMSA-N 426.513 3.463 0 1 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@H]1C(=O)NCCCN1CCCC1=O 4153462 JUCKBGHXBLOCSK-UNMCSNQZSA-N 441.553 3.367 0 1 IGAF CCCCn1c(=O)c2c(ncn2S(=O)(=O)c2c(C)cc(C)cc2C)n(CCCC)c1=O 13806666 IIYMHHZVTORHCY-UHFFFAOYSA-N 446.573 3.122 0 1 IGAF Cn1c(CNc2cccc(C(=O)NCc3c(F)cccc3F)c2)nnc1-c1ccncn1 13984068 XSCKDAQIWACLGU-UHFFFAOYSA-N 435.438 3.092 0 1 IGAF O=c1n(Cc2nnc(SCc3ccccc3F)s2)nnn1-c1ccc(Cl)cc1 28647668 CLIXRHRTQGQLMP-UHFFFAOYSA-N 434.909 3.414 0 1 IGAF Cc1cc(C)cc(Oc2c(Cn3ccnn3)c(C)[nH]c(=O)c2I)c1 38840322 LUMIEDNZBIIKIA-UHFFFAOYSA-N 436.253 3.337 0 1 IGAF CC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3ccc(C(N)=O)cc3)c3ccccc23)n1 40394451 LORYRGKPUUNITH-UHFFFAOYSA-N 448.483 3.258 0 1 IGAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2C[C@H]3C[C@@H]2CO3)c1 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CC(C)c1nn(C)c2c1[C@H](c1ccc(N3CCN(Cc4ccccc4)CC3)nc1)NCC2 962923230 YPGNUVLQEMBWGI-SANMLTNESA-N 430.600 3.496 0 1 IGAF CC(C)=CC[C@H](C=C(CCO)COC(=O)[C@@H](C=C(CO)CCO)CC=C(C)C)C(=O)O 2356803845 XMHHAYPLVIDZIX-FGZHOGPDSA-N 438.561 3.169 0 1 IGAF COc1ccc2nc3n(c(=O)c2c1)-c1cc(C)ccc1C(=O)N[C@@H]3Cc1ccc(O)cc1 61949237 SABLWLLMKISUKX-OAQYLSRUSA-N 427.460 3.436 0 3 IGAF OC[C@@H]1O[C@H](n2cnc3c(Cl)nc(Nc4ccc(Cl)c(Cl)c4)nc32)C[C@@H]1O 5822701 HEEANCXZTNZIAU-SRVKXCTJSA-N 430.679 3.171 0 1 IGAF O=C1c2ccccc2C(=O)N1C[C@@H]1C[C@H]1CN1CCN(c2nsc3ccccc23)CC1 12356419 UGMOAPLNQIPTAB-IRXDYDNUSA-N 432.549 3.351 0 1 IGAF CCC(=O)O[C@H]1[C@H](OC(C)=O)O[C@@H]2O[C@@H]3OC(=O)/C(=C\C=C4/CCCC(C)(C)C4)[C@@H]3[C@@H]21 33955591 JCWZFOPWRPXHOD-GTXMBTSLSA-N 434.485 3.152 0 1 IGAF NC1=N[C@](c2cccc(-c3cccnc3F)c2)(c2ccc3c(c2)OCCO3)C2=NCCCN12 45245271 WDVQMWDSGDTYIB-RUZDIDTESA-N 443.482 3.335 0 1 IGAF COc1ccc(C2=NO[C@@H](c3ccc(C)cc3)[C@@H]2S(=O)(=O)CC2=NCCS2)cc1 72118530 YZSPHQAZULQHHU-LEWJYISDSA-N 430.551 3.408 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@@H](C)NC[C@@H]1C 95690648 NMVKSNPKIBDAFP-DMPWYTOCSA-N 443.519 3.172 0 1 IGAF COc1ccc2c(c1)c(O)c(C1=NS(=O)(=O)c3ccccc3N1)c(=O)n2CCC(C)C 101077577 QQICNKWXQZELSJ-UHFFFAOYSA-N 441.509 3.323 0 1 IGAF COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1O[C@H]1CCCOC1 141912718 HXIHZWDMJDTXDW-AEFFLSMTSA-N 449.507 3.378 0 1 IGAF CN(Cc1ccccc1)Cc1nnnn1C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 230562964 ZVWCGJLWGPALOD-UHFFFAOYSA-N 442.571 3.328 0 1 IGAF CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2[C@H](O)[C@](CO)(CCCc2ccccc2)C[C@H]3[C@H]1C5 253633423 MMXFDJAANNJTRD-KRXSQVODSA-N 435.564 3.034 0 1 IGAF CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)OCCN3C)c1 261101141 GIKLPDMPMGWEOB-IBGZPJMESA-N 447.582 3.029 0 1 IGAF O=S(=O)(Nc1ccc(F)cn1)c1ccc(Oc2cnc(CO)c(Cl)c2)cc1F 473228830 SFYSDPWAVSQNHN-UHFFFAOYSA-N 427.816 3.494 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 587759260 FLSBKWBXSILELQ-RSXSOOJNSA-N 443.313 3.412 0 1 IGAF CCOC(=O)C1=CN(C2CC2)C(=O)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587776674 YCHYZSDCDPEWQI-YBTHPKLGSA-N 437.309 3.159 0 1 IGAF COc1ccc(-c2cc(C(=O)N[C@H](Cc3ccc(O)cc3)C(=O)O)c(C)o2)cc1OC 621429319 FTNYYSQPBBGUOJ-GOSISDBHSA-N 425.437 3.404 0 1 IGAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@]21c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962677528 ZZGPOHJKNRRQTI-RPBOFIJWSA-N 430.460 3.246 0 1 IGAF C[C@@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2cc(F)c(F)cc2F)C1 1772604618 LUPCKJNKYRETBO-NSHDSACASA-N 449.433 3.125 0 1 IGAF CCOC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(C=CC=C(C)C(=O)O)OC3=O 2356293394 GSKWIWOAUZQVES-QMTRIVCPSA-N 446.496 3.261 0 1 IGAF CCCCN(C)C(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCCCC3)cc2c1=O 20240375 FAFPZFGPNCLFGA-UHFFFAOYSA-N 433.574 3.068 0 1 IGAF COC(=O)[C@@]12CCO[C@@H]1c1cc3c(cc1[C@H]2c1cc(OC)c(OC)c(OC)c1)OCO3 28101093 IWLBHGYFPJEXDQ-KJXAQDMKSA-N 428.437 3.207 0 1 IGAF C/C=C/c1ccc(O[C@@H](C)C(=O)NCCCNC(=O)C2=CC(C)(C)NC2(C)C)c(OC)c1 40503500 BOBIHAFNADTPBL-VMSUTVGLSA-N 443.588 3.205 0 1 IGAF O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 95871494 MBZDDLDSEITRDD-OYRHQHFDSA-N 448.469 3.443 0 1 IGAF CO[C@]12C=C[C@]3([C@H]4[C@H](O)C(C)(C)C[C@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 100576349 BANTYRLFVMBWRP-RQHUFAADSA-N 449.591 3.410 0 1 IGAF CN(C)CCOc1cc(C(N)=O)c2ncnc(NCc3ccc(C(F)(F)F)cc3)c2c1 114346146 FHMVSLXNLGUZHH-UHFFFAOYSA-N 433.434 3.300 0 1 IGAF CCCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3occc3c2Cl)cc1 142261295 IKJFCWQSHDCDJT-YVTYUBGGSA-N 446.927 3.144 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)NC[C@H](C)O)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 299882185 PHKJZWLSXPBGNC-IEXUWNMDSA-N 438.568 3.179 0 1 IGAF COC(=O)[C@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21CC(=O)c2cc(C)cc(N)c2O1 587398389 GBAWFWLFSHUUND-UAXXQVJKSA-N 430.501 3.242 0 1 IGAF Cc1nn(C)cc1[C@@]1(CCN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583661 WJETYHGRVLJZQL-WIOPSUGQSA-N 449.507 3.014 0 1 IGAF CS(=O)(=O)c1ccc([C@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)s1 962926076 STALGBFXQWZAAD-PXNSSMCTSA-N 445.518 3.338 0 1 IGAF C=CC(=O)N1CC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)C1 1772603763 PKGJEJSOPQZJNR-FQEVSTJZSA-N 443.507 3.442 0 1 IGAF COc1cc(OC)c(-c2cn3ccc(NC(=O)[C@@H](N)CCCCN)cc3n2)cc1Cl 1857601158 XPGLHRZISQYCGC-INIZCTEOSA-N 431.924 3.067 0 1 IGAF O=C(c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1)N1CC=C(c2ccccc2)CC1 8913681 LEUYZVSYQNJIQX-UHFFFAOYSA-N 441.531 3.424 0 3 IGAF C[C@@]1(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)C/C=C/c1ccccc1 61930549 GCHCNZOVYNTQJG-FERLCFGISA-N 432.929 3.239 0 3 IGAF CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N2CCOCC2)cc1 4045586 DKRYWSUQNDTGRV-CTNGQTDRSA-N 431.895 3.496 0 1 IGAF Cn1c(O)c(C2=NN=C(O)/C2=N\Nc2ccccc2Br)c(=O)c2ccccc21 13409436 FMVJIZXJJXBGEU-UHFFFAOYSA-N 440.257 3.149 0 1 IGAF biogenic O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(Cl)cc1 26836931 LHBPQVTZRYOGPP-NRFANRHFSA-N 431.945 3.402 0 1 IGAF N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N(CCc2ccccn2)CC2CC2)c1 27198749 JHFBGSMFMSIPCZ-UHFFFAOYSA-N 445.951 3.013 0 1 IGAF CCCN(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C 95701444 LQVSPGWVOASTFN-NPPFBWRTSA-N 436.618 3.364 0 1 IGAF C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@@H]1CN(C)C 95860275 CUCZIJHOBJDKMN-PNLZDCPESA-N 440.544 3.112 0 1 IGAF CO[C@]12C=C[C@]3([C@@H]4[C@@H](O)C(C)(C)C[C@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 100576356 BANTYRLFVMBWRP-VCRPMVKKSA-N 449.591 3.410 0 1 IGAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@H](O)CC1 102976745 AGCBXJNKHQWJMV-BETUJISGSA-N 431.489 3.116 0 1 IGAF CN(C)CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2)CC3)n1 169702289 UMKZMPIUCLGAOL-UHFFFAOYSA-N 428.544 3.068 0 1 IGAF CN(C(=O)OC(C)(C)C)C(=O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 299826561 QBESAZKZAMSNLL-UHFFFAOYSA-N 430.482 3.038 0 1 IGAF CCCn1c(=O)c(Cc2cccc3ccccc23)nc2c1c(=O)n(C)c(=O)n2CC(C)C 299828824 IZRLGBMJKWZZDY-UHFFFAOYSA-N 432.524 3.067 0 1 IGAF COC(=O)c1cc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 586962534 XPDFSAWKJGBTIA-UAOJZALGSA-N 440.525 3.439 0 1 IGAF CC(C)(C)OC(=O)N1CC2(CNC(=O)C[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 587518322 FJWGNCJGHXOYOX-DEOSSOPVSA-N 426.513 3.026 0 1 IGAF CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587574105 ARKJIAYIQSGZHG-LYWOYCCESA-N 448.475 3.417 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(Cl)ncnc2N2CCOCC2)N1 587701723 CHTBTWOWAVLZAZ-QLJPJBMISA-N 441.732 3.492 0 1 IGAF CCc1ccc2c(c1)[C@@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)C(=O)N2CC(=O)O 587776301 XBRCVOWFPCWIJD-WIUDPPPLSA-N 447.304 3.360 0 1 IGAF C[C@H](c1ccc2nc(-c3cnn(C)c3)ccc2c1)n1nnc2ncc(-c3cnn(C)c3)nc21 1772578119 BURAXRCWILWDCS-CQSZACIVSA-N 436.483 3.180 0 1 IGAF CC[C@H](C)CC(=O)O[C@@H]1CC(C(=O)OC)=C[C@H](OC(C)=O)[C@H]1OC(=O)C[C@H](C)CC 2356720286 VNWSQNMVJSQZBF-GJOPXIMISA-N 426.506 3.117 0 1 IGAF CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3C=C(C)C[C@@H](CO)CC1=O 2356797518 OAOOMDJOUWPNCG-VTYFXPTNSA-N 445.600 3.238 0 1 IGAF CSc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 4034471 FGOUCXOQWYQZHO-LJQANCHMSA-N 445.566 3.085 0 3 IGAF COc1ccccc1[C@@H]1CC(=O)C[C@H](c2ccccc2OC)C12C(=O)NC(=S)N=C2O 1860534 POMVPHZAPHHHIS-CALCHBBNSA-N 438.505 3.292 0 1 IGAF CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC 4296456 FTIBCQZGECRODU-VMRPVKRXSA-N 432.904 3.336 0 1 IGAF Cc1cccc2c1O[P@@](=O)(OC[C@@H]1C[C@H](F)[C@H](n3cnc4c(N)ncnc43)O1)OC2 13561145 FYTFCQRUFXWTCM-ZUZYBHHGSA-N 435.352 3.076 0 1 IGAF CCn1c(=O)c2c(nc(NC3CCCC3)n2Cc2ccc(O)c(Cl)c2)n(CC)c1=O 13860294 XJSVOIWTZIUMFA-UHFFFAOYSA-N 431.924 3.161 0 1 IGAF COc1ccc(CN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC 29316438 XNCSVXNIGQSWNE-UHFFFAOYSA-N 442.556 3.170 0 1 IGAF CN1C(=O)[C@@H](OCc2ccc(C(=N)N)cc2)Oc2cc(C(=O)Nc3ccccc3)ccc21 40867000 DKLZMGFTGWKNCD-DEOSSOPVSA-N 430.464 3.121 0 1 IGAF CNC[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@H](C)CO)C[C@H]1C 95678715 NEAMIVWIATVNNI-PMAPCBKXSA-N 435.568 3.423 0 1 IGAF O=S(=O)(c1ccc(F)cc1)N1CC[C@@H]2[C@H](CO)Nc3ccc(Br)cc3[C@@H]21 95878171 YVHSKUGDWRDHGV-FHLIZLRMSA-N 441.322 3.127 0 1 IGAF O=C(C1CCCCC1)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@@H]21 95894392 CFXSFUPMRVHHHN-RJGXRXQPSA-N 440.565 3.131 0 1 IGAF CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)[C@H](C)O4)CC2)c(C)c1 96274109 NDPXSBJMMOJZHP-SFHVURJKSA-N 436.556 3.095 0 1 IGAF CCc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1NC(=O)[C@@](C)(CC)NC2=O 103298331 GIFNOAPHZQDFKC-HXUWFJFHSA-N 437.468 3.179 0 1 IGAF COc1ccc([C@@H](CO)NC(=O)c2ccc(NC(=O)N3Cc4ccncc4C3)cc2)cc1 167132885 PKDOWSPMBKSODP-JOCHJYFZSA-N 432.480 3.101 0 1 IGAF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3ccn[nH]3)[nH]c12 222327002 PDRORLGFIQEUEH-UHFFFAOYSA-N 427.472 3.064 0 1 IGAF CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 253701705 YEXQQQZDCCDPJD-GVVDHYSOSA-N 431.529 3.200 0 1 IGAF COC(=O)c1cc2[nH]c(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc2cc1OC 586955551 QLHVSYBIOYVIQW-UHFFFAOYSA-N 443.525 3.235 0 1 IGAF N=c1[nH]c2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc-2c(Cl)[nH]1 586961694 SLPXFNXUAUMTDR-BNOWGMLFSA-N 432.937 3.065 0 1 IGAF Nc1cc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2cc1N 587107969 OASLQFTYMYYQEB-HNNXBMFYSA-N 425.436 3.272 0 1 IGAF CCOC(=O)CC[C@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599329 WTRRSKPMODHAGK-NZQKXSOJSA-N 428.437 3.389 0 1 IGAF CNS(=O)(=O)c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587842263 TXKQTWDTOIKPFZ-VOJFVSQTSA-N 427.339 3.294 0 1 IGAF CC(C)(C)OC(=O)N1CC=C[C@@]2(C1)N[C@@H](C(=O)O)Cc1cc(OC(F)(F)F)ccc12 962639235 UMGIIXTVIZZULW-BEFAXECRSA-N 428.407 3.186 0 1 IGAF CC(C)Nc1cc(-n2ncc3cc(Cl)cnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O 1772579561 CQWAMJPGRKGZRI-MRXNPFEDSA-N 434.903 3.128 0 1 IGAF Nc1ncc([C@H]2CCS(=O)(=O)C2)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1 1772581672 DBDXBFMHMSKDCT-KRWDZBQOSA-N 439.512 3.302 0 1 IGAF Oc1nc(N2CCCC2)nc(N[C@@H]2CCCNC2)c1-c1nc2c(C3CC3)nccc2s1 1772635756 SVXJZKHFWYRZBL-CQSZACIVSA-N 437.573 3.495 0 1 IGAF O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4ccnc(C5CC5)n4)nc3n2)C1)N1CC[C@@H](F)C1 1772645069 CCJYIYBNUWDDJR-HZPDHXFCSA-N 435.507 3.079 0 1 IGAF Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)c2c(N3CC[C@H](N)C3)ncnn12 1857772409 FMYGEDOSAKMUNF-HNNXBMFYSA-N 442.449 3.056 0 1 IGAF CCCS(=O)(=O)NC(=O)[C@]1(C)CCCN(C(=O)c2cc(-c3cccs3)oc2C)C1 61895337 IJNMKDDCIZOGGU-HXUWFJFHSA-N 438.571 3.415 0 3 IGAF COc1ccc(S[C@]2(C(=O)N3CCCC3)CC(=O)N[C@@H]2c2ccc(OC)cc2)cc1 203470276 LOYZJEHZNMJEKU-FYYLOGMGSA-N 426.538 3.418 0 3 IGAF COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)c(OC)c1 4310395 JSCQGTQXTYWTIQ-CTNGQTDRSA-N 430.888 3.308 0 1 IGAF COC(=O)[C@@H]1CCCN1Cc1ccc2c(c1)CN(Cc1ccc(NC(C)=O)cc1)CCO2 12038977 GPHRNVZNDNAOBD-QHCPKHFHSA-N 437.540 3.177 0 1 IGAF Cn1c(O)c(C(=O)C[C@H](NCc2ccncc2)c2ccccc2O)c(=O)c2ccccc21 24717282 ZTAYENUEJWWZAO-IBGZPJMESA-N 429.476 3.449 0 1 IGAF biogenic CN(C)CCOCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21 26652565 PHMWNTVXCWPAHB-UHFFFAOYSA-N 442.519 3.268 0 1 IGAF C[C@H](NC1=NC(=O)[C@](C)(c2ccc(C(=O)N3CCOCC3)cc2)S1)c1ccc(F)cc1 40393716 HSWRSJVMGAZCAR-WNSKOXEYSA-N 441.528 3.494 0 1 IGAF CCCCNc1ccc2ncc(-c3ccc(C(=O)NC[C@@H]4C[C@@H](F)CN4)c(F)c3)n2n1 72176900 VNZBNQWWQDEARP-CVEARBPZSA-N 428.487 3.177 0 1 IGAF CCNC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccccc3)n2CC)cc1 84703580 CQKGTOSPJBZTIH-UHFFFAOYSA-N 438.557 3.391 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)NC2CCCC2)C1 95796582 YOMIOEXLRSAPBQ-NRFANRHFSA-N 438.572 3.141 0 1 IGAF COc1ccc(C(=O)O[C@H]2C[C@H]3C[C@H](OC(=O)c4ccc(OC)cc4)[C@@H](C2)N3C)cc1 95913506 CYYVWDCOFOKRDD-MVWVFHAYSA-N 425.481 3.321 0 1 IGAF biogenic,in-vitro COc1ccc(Nc2nccc(Nc3c(N[C@H](C)C(C)(C)C)c(=O)c3=O)n2)cc1OC 102937365 RKKIDHHGKNGTQI-GFCCVEGCSA-N 425.489 3.424 0 1 IGAF Cn1cc(C(=O)N2CC=C(c3ccc(NC(=O)N4Cc5ccncc5C4)cc3)CC2)cn1 166564717 BWYCODMFUCJIGW-UHFFFAOYSA-N 428.496 3.292 0 1 IGAF C[C@H]1CN(Cc2ccc(F)cc2Cl)C[C@@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 205441163 LDKKRBUDFCLKNM-GUYCJALGSA-N 445.926 3.340 0 1 IGAF CC(C)C[C@]1(O)C[C@H](C)[C@@H]2[C@H]1C(=O)[C@@H]1[C@H]3[C@H](O)[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257498374 NXIUUQKBFNWMSY-OYUPBQIISA-N 448.644 3.170 0 1 IGAF C=CC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O 299826869 NTUJACGXFSGTKR-ZWLNRFIDSA-N 444.480 3.166 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cc(F)cc(F)c3[nH]2)C(C)C)cc1 586932356 CWDSYOZISOCYDS-SFHVURJKSA-N 436.484 3.153 0 1 IGAF CCOC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@]12CC(=O)c1cc(C)cc(N)c1O2 587396170 QBIPINWKDJFADT-MHECFPHRSA-N 438.480 3.113 0 1 IGAF C[C@]1(Nc2ncc(C(F)(F)F)cn2)CCC[C@H]1NC(=O)c1ccccc1-n1nccn1 1772609706 BWQJSRQDEPJXKN-APWZRJJASA-N 431.422 3.229 0 1 IGAF N=c1nc(-c2c(F)cccc2CO)[nH]c(=NCCc2ccc(Oc3ccccc3)cc2)[nH]1 1857619509 ROFYNHGEJMJWGU-UHFFFAOYSA-N 431.471 3.451 0 1 IGAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccc3)[C@H](O)[C@H]2[C@@H]1C 2356462227 KBNYXLDRYGCDAI-SGUDKZIRSA-N 429.605 3.450 0 1 IGAF COc1ccc(-c2cc3nc(C)cc(N4CCN(C(=O)c5cccnc5)CC4)n3n2)cc1 61944505 JPLXCDBAUDKKQW-UHFFFAOYSA-N 428.496 3.071 0 3 IGAF COCCCN[C@H]1CC2(CCCCC2)Oc2ccc(C(=O)N[C@H]3CCCCNC3=O)cc21 2489432 MFTSKJQXRWWTSM-SFTDATJTSA-N 443.588 3.238 0 1 IGAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 4045225 JOFHNBAQQSFJQI-BGWNEDDSSA-N 433.508 3.157 0 1 IGAF CC(C)CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2c1=O 4654440 GDZRCEHNMJMIMW-UHFFFAOYSA-N 439.537 3.055 0 1 IGAF O=C(COc1ccccc1Cl)Nc1ccc(OCc2cc(O)n3ncnc3n2)cc1 15785800 UMXQTVQIAHPXGM-UHFFFAOYSA-N 425.832 3.080 0 1 IGAF CCOC(=O)N1CCC(NC(=O)[C@H]2CCCN2c2nc(-c3ccc(O)cc3)cs2)CC1 82194811 IRZWUSBKYLJQHJ-LJQANCHMSA-N 444.557 3.222 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)c1ccccc1)CC31CN(CC2CC2)C1 95793646 UNPNFTDYZSYCGL-HSZRJFAPSA-N 445.563 3.340 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CN(Cc2cc(-c3ccccc3)on2)C1 95864584 HTYMVBFWHRFNHK-OAQYLSRUSA-N 444.535 3.232 0 1 IGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cccs4)C[C@H]23)cc1 95873821 DXNXIBCUAKIKFC-ZDIIRZMASA-N 432.611 3.395 0 1 IGAF O=C1N(Cn2nnc3ccccc32)CCCC12CCN(c1cnc3ccccc3n1)CC2 96173103 IKCOPTGWZOAHLH-UHFFFAOYSA-N 427.512 3.241 0 1 IGAF Nc1ncc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cc1OC(F)F 148087915 BBKVNENSAXKIII-IGOJGBNBSA-N 431.487 3.288 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@H](O)[C@@](/C=C/Cc4ccccc4)(CO)C[C@H]4[C@@H](C2)N(C)CC[C@@]314 169365274 ZWVDVCFMIUCNEM-IRNVTMKOSA-N 447.575 3.113 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1nc(-c2cccc(Cl)c2)no1 217408099 VDEXLVZLFHDDEG-MISXGVKJSA-N 430.852 3.059 0 1 IGAF CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@]2(C)C(C)=CCC[C@@H]2[C@@](C)(/C=C/C2=CC(=O)OC2)[C@@]1(C)O 238776727 VQWPROISONEVNZ-GIOJCLGXSA-N 432.513 3.023 0 1 IGAF CC1=C2C[C@H]3[C@H](C[C@@H](O)[C@H]4C[C@H](O)[C@@H](O)C[C@]34C)[C@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C 255247487 NOYZMBTXNXGBSR-GOKQUVJMSA-N 445.644 3.023 0 1 IGAF CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3cnc4[nH]cc(Cl)c4c3)CC1)C2 261142758 NIHQIXFAOVUTLZ-UHFFFAOYSA-N 440.935 3.129 0 1 IGAF COC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1OC 586946409 XBSZNDHJZFOXOE-UHFFFAOYSA-N 447.494 3.158 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587084955 LIWHVHVXUCJBHY-UHFFFAOYSA-N 448.980 3.421 0 1 IGAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(Br)c(O)c2[nH]1 587202537 JEDGXCUJGMHERJ-ZDUSSCGKSA-N 434.246 3.473 0 1 IGAF CS(=O)(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360135 LTSXCXDFBFISNX-RBBKRZOGSA-N 427.453 3.225 0 1 IGAF C[C@@]1(c2cccc(S(=O)(=O)N3CCOCC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587530346 CCOMBBDPAAQOFE-DEOSSOPVSA-N 441.549 3.467 0 1 IGAF O=C1Oc2ccccc2C(=O)[C@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 587563307 RAAJSLUHRCSADC-PKOBYXMFSA-N 427.416 3.180 0 1 IGAF Cn1nnnc1COc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587583623 UNBJKLGWRDGCKE-NFBKMPQASA-N 430.420 3.198 0 1 IGAF COc1ccc(CN2C(=O)CC[C@H]2C(=O)N2C[C@H]3C[C@@H](CN(Cc4ccccc4)C3)C2)cc1 653792007 ZQHWQJNWRMABIW-LSQMVHIFSA-N 447.579 3.167 0 1 IGAF COC(=O)c1cc([C@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)ccc1OC 962642845 RLFRJOPNNFAONS-CXAGYDPISA-N 425.359 3.069 0 1 IGAF COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1F 962972187 UFBMTHKPPJURJD-JLTOFOAXSA-N 443.805 3.473 0 1 IGAF O=C1NC(=O)[C@H](Cc2nnc(C(=O)c3nc4ccc(-c5ccccc5)cc4s3)o2)S1 1772655496 FKAYPXXLPJOXOL-AWEZNQCLSA-N 436.474 3.471 0 1 IGAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@H]1[C@@]2(C)CCC[C@@]3(C)C(=O)O[C@@H](C[C@@]1(C)O)[C@H]23 2356482459 NFNKLYVALXQMTH-NLHIGFHTSA-N 432.557 3.455 0 1 IGAF CC[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCC(C)C)c2c1 8662124 CZYNXUUIYGGAQX-MRXNPFEDSA-N 433.574 3.257 0 1 IGAF CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(N3CCN(C)CC3)n2)cc1 34207853 MVQSZXIVEQECJQ-UHFFFAOYSA-N 438.561 3.113 0 1 IGAF Nc1nccc(-c2ccc3nc([C@H]4COc5c(cccc5C(=O)NC5CC5)C4)[nH]c3c2)n1 49126053 NDAAAGHBDJRILY-OAHLLOKOSA-N 426.480 3.213 0 1 IGAF COc1cccc(CNC(=O)[C@@H](C)NC(=O)c2csc(-c3ccccc3)n2)c1OC 82070432 WKBFZCLCIJSVKP-CQSZACIVSA-N 425.510 3.262 0 1 IGAF CCNC[C@@](O)(CCCCC[C@@H]1CC[C@H]2C[C@@H]1CC[C@]21CC[C@@H](O)[C@H](C)N1)CC(=O)O 85488181 HUWYQTFAKWTNMD-ISBDMRCQSA-N 438.653 3.450 0 1 IGAF biogenic,in-vitro O=C(C1CCCCC1)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccccc3)C[C@H]21 95894391 CFXSFUPMRVHHHN-ZLNRFVROSA-N 440.565 3.131 0 1 IGAF Cc1ccc([C@H]2[C@@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 110505394 SQUNAVUFMAQNAX-GOTSBHOMSA-N 446.503 3.025 0 1 IGAF Nc1ncc(-c2cc(N[C@H]3CC[C@H](O)CC3)ncc2Cl)nc1NCC1CCOCC1 261074639 ARDSEKSLIINQMP-SHTZXODSSA-N 432.956 3.328 0 1 IGAF CO[C@@H]1C=CC=CC=CC[C@H](O)C[C@H](O)CC=CC=CC=CC(=O)O[C@@H](C[C@H](C)O)C1 299807746 SZPWNRYGTQYOLD-FCUGFLGKSA-N 432.557 3.317 0 1 IGAF Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N[C@@H]2CCCC[C@H]2C)c1 299886893 XYEHKCYIVGPPLP-SLYNCCJLSA-N 435.572 3.462 0 1 IGAF CN(Cc1cccc(C(F)(F)F)c1)C(=O)n1cnc(S(=O)(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)n1 473088062 HSWCKEHNSUCWRU-JGGQBBKZSA-N 442.463 3.359 0 1 IGAF Cc1[nH]c(/C=C2\C(=O)Nc3ncc(Cl)cc32)c(C)c1C(=O)NCC1CCN(C)CC1 473249397 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3.436 0 1 IGAF O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCCC[C@@H](O)C2)c1 1857624639 XXDBIOWXTNQKDJ-CQSZACIVSA-N 444.887 3.406 0 1 IGAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)Cc3ccccc3)[C@H](C)[C@@H]2[C@H]1O 2356528711 FSNBIFHYZFKVOV-OIMPRTIPSA-N 426.601 3.452 0 1 IGAF Cc1cc(CNC(=O)[C@@H]2CCC[C@H](NCc3cccc(Cl)c3)CN(C)C(=O)C2)no1 2356585763 BEMARWLTVWZRPP-MJGOQNOKSA-N 432.952 3.060 0 1 IGAF COc1ccccc1C(=O)N1C[C@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 2356603796 KBYUWFMXFCQOFY-NQIIRXRSSA-N 429.476 3.299 0 1 IGAF COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c(OC)c1 6577657 JKFAMQGYXBQYOP-GOSISDBHSA-N 441.509 3.044 0 3 IGAF O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1 198623597 GCOANKAZCIXKEI-LEWJYISDSA-N 439.943 3.252 0 3 IGAF COc1cc2c(C(=O)[C@@H]3CS[C@@H](c4cccnc4)N3)cn(C(=O)N(C)C)c2cc1OC 13737542 LDEOMUXXMIHGCM-KKSFZXQISA-N 440.525 3.170 0 1 IGAF OC[C@H](c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 22939234 KWFSABSQVNXQKZ-RUZDIDTESA-N 430.556 3.032 0 1 IGAF O=C(NCCNC(=O)c1ccc2c(Cl)c[nH]c2c1)c1ccc(-n2ccccc2=O)cc1 28822823 LLSUNCCQDYHQGL-UHFFFAOYSA-N 434.883 3.132 0 1 IGAF COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4C[C@H](C)O[C@H](C)C4)nc3n2)cc1 49785919 GQIOMLPTHUBUKY-CALCHBBNSA-N 435.528 3.151 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 82198026 AHZPOZKPNDCNGW-NMNUPHIUSA-N 440.540 3.376 0 1 IGAF CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 82198199 QLZNAPVASQEFDK-IGKWTDBASA-N 438.568 3.179 0 1 IGAF O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 95795412 DYGXIGZWPPRTRB-WMTXJRDZSA-N 446.482 3.091 0 1 IGAF O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@H]1CO 95906931 MUASOPIRAYEFMY-DBVUQKKJSA-N 449.910 3.329 0 1 IGAF Nc1nc(N)c2cc(CSC(=S)N3CCN(c4ccccc4F)CC3)ccc2n1 96928375 QMXBKTGDLNUGBC-UHFFFAOYSA-N 428.562 3.274 0 1 IGAF O=C(c1c(F)ccc(NS(=O)(=O)c2cccc(F)c2)c1F)c1c[nH]c2ncncc12 113489488 YZPVZLONZRILKF-UHFFFAOYSA-N 432.383 3.407 0 1 IGAF O=C1OC[C@H](c2ccc(F)cn2)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 116185986 XFKYLRMOYBXHIP-GOSISDBHSA-N 442.414 3.413 0 1 IGAF CC1(C)O[C@@H]2O[C@@H](Cc3cn4cc(Cl)ccc4nc3=O)[C@H](OCc3ccccc3)[C@@H]2O1 169326968 HOWKYARCUKDYLB-UTYWTXRGSA-N 442.899 3.352 0 1 IGAF CNC(=O)c1ccc(-c2nccnc2C2CN(c3ncc4ccc(F)cc4n3)C2)cc1F 169701458 NPWHYCUJWVCDKS-UHFFFAOYSA-N 432.434 3.328 0 1 IGAF COc1cccc(-c2c3c(nn2C)CCc2cnc(Nc4ccn(CCN(C)C)n4)nc2-3)c1 169702340 XLOQYIPTGIUPHV-UHFFFAOYSA-N 444.543 3.153 0 1 IGAF Cc1nn(C)cc1CC(=O)Nc1cncc(C(=O)c2cn(C(C)(C)C)c3ncncc23)c1 169707756 ASZXAZAXQJBUJH-UHFFFAOYSA-N 431.500 3.035 0 1 IGAF NC[C@H](c1ccc(F)c(Cl)c1)N1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1 219316933 RZLQNDVONYRFCZ-LJQANCHMSA-N 444.917 3.479 0 1 IGAF CCOC(=O)Cn1cc(COCc2c(-c3ccc(Cl)cc3)nc3sc(C)nn23)nn1 473248551 OOUWTHIGECBKKD-UHFFFAOYSA-N 446.920 3.291 0 1 IGAF COC(=O)c1cc(Cl)c2[nH]c(CN(C)S(=O)(=O)c3ccc(Cl)cc3)nc2c1 586928794 JFHIOBVAOCWDQY-UHFFFAOYSA-N 428.297 3.477 0 1 IGAF COc1cc(N)c(I)cc1-c1nc2cc(F)cc(C(=O)O)c2[nH]1 587179238 SHLARIGVISCCKY-UHFFFAOYSA-N 427.173 3.263 0 1 IGAF CNS(=O)(=O)c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587606331 HBMIEKYNSVHHHD-DENIHFKCSA-N 425.462 3.177 0 1 IGAF CNS(=O)(=O)c1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587611125 ZFTBJBUCHCDGOW-SIKLNZKXSA-N 425.462 3.177 0 1 IGAF CCCCN1C(=O)[C@@H]([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)C(=O)c2ccccc21 963509570 OFXCVMRSAJXXNX-HMHJJOSWSA-N 436.508 3.161 0 1 IGAF C=CC(=O)Nc1ccccc1[C@@H]1CCNc2c(C(N)=O)c(-c3ccc(OC)c(OC)c3)nn21 1772615026 PFNVDBBQDCHEEX-KRWDZBQOSA-N 447.495 3.196 0 1 IGAF CC=C(C)C(=O)OC[C@](C)(O)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@@H]1OC(=O)CC(C)C 2356383052 XECDMXMTNJQFPP-ZDXQCDESSA-N 444.480 3.445 0 1 IGAF CC(=O)N[C@@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)NC=Cc1c[nH]c2ccccc12)C(C)C 2356629542 IODNETMCEHQSGF-FCHUYYIVSA-N 426.561 3.289 0 1 IGAF O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)[C@H]2C1)c1cccc(F)c1 2356835619 KTMUVWOYNOWZBL-FXAWDEMLSA-N 433.439 3.441 0 1 IGAF COc1ccc(C)cc1S(=O)(=O)NC[C@H](c1cccnc1)N1CCc2ccccc2C1 15941970 CZOLGKNFTGIGPZ-JOCHJYFZSA-N 437.565 3.477 0 3 IGAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2NC(=O)[C@@H](N)Cc1c[nH]cn1 61946710 MGSCSNZRAARZBH-CXWIFCRUSA-N 426.605 3.088 0 3 IGAF C=C[C@]1(C)C[C@H](O)C2=C([C@H]1OC(C)=O)[C@H](OC(C)=O)C[C@@H]1[C@](C)(C(=O)OC)CCC[C@@]21C 14811963 XSQFOKGWARTSHK-WHCQYGLSSA-N 448.556 3.493 0 1 IGAF biogenic COc1ccccc1-c1cncnc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)O 34233640 ZOMDPFRLBCLEDW-IBGZPJMESA-N 436.468 3.320 0 1 IGAF O=C(Cc1cccs1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1 42964163 MUQJGEYBBHCTJB-FQEVSTJZSA-N 426.538 3.207 0 1 IGAF C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1c1cc(-c2ccc3c(N)[nH]nc3c2)nc(N)n1 71317684 GAMJJHMLLXIWRZ-OCCSQVGLSA-N 438.536 3.066 0 1 IGAF CC(=O)Oc1ccccc1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1 72128696 LPICFAXAKWQDEP-UHFFFAOYSA-N 425.388 3.131 0 1 IGAF COc1cc2nc(N3CCC[C@H](C(N)=O)C3)nc(NCc3ccc(C)cc3)c2cc1OC 82130203 BDLQXEFAKWNYHU-KRWDZBQOSA-N 435.528 3.269 0 1 IGAF CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)CC)[C@H](C)CO2 95686836 CGCJCZBVFKVEDJ-CSODHUTKSA-N 447.576 3.168 0 1 IGAF COc1ccccc1NC(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2CC1CCOCC1 95893680 NRQOHMLKUFDDGV-AKFKNWHVSA-N 437.540 3.303 0 1 IGAF O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 100679429 SAHCFCFOKRFDAF-GNWGRXFHSA-N 439.987 3.295 0 1 IGAF COc1ccccc1[C@H]1[C@H](C(=O)C(C)(C)CO)C(=O)C(=O)N1c1ccc(SC)cc1 169694969 MYWMQEBETXCPSE-OALUTQOASA-N 427.522 3.278 0 1 IGAF Nc1ccc(C(=O)N[C@@H](CCc2ccccc2)C(=O)O)cc1OCCc1ccc(O)cc1 223389872 UAGQICSXKPTCGT-QFIPXVFZSA-N 434.492 3.412 0 1 IGAF COC(=O)c1cc2[nH]c([C@@H](CCSC)NS(=O)(=O)c3ccccc3)nc2cc1OC 586938191 VJJDVUQBAZRREQ-OAHLLOKOSA-N 449.554 3.131 0 1 IGAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(N)=O)cc2[nH]1 586938420 VOPQAAOVXQQICH-INIZCTEOSA-N 432.571 3.051 0 1 IGAF COc1cncc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(C(C)=O)cc4)cc3)nc12 586944205 GYACPDOESYTISX-UHFFFAOYSA-N 436.493 3.315 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CSc1nc(O)cc(O)n1)C1CC1 587609389 VIYOFNFXOGAEHL-AVRDEDQJSA-N 438.461 3.496 0 1 IGAF COC(=O)C[C@@]1(C(OC)OC)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961750912 QCRMAWVIPRDPBK-QHCPKHFHSA-N 434.533 3.215 0 1 IGAF Nc1ncc([C@@H]2CCS(=O)(=O)C2)cc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1 1772600451 DBDXBFMHMSKDCT-QGZVFWFLSA-N 439.512 3.302 0 1 IGAF CC[C@@H]1Cc2cc(OCc3ccccc3)c(OC)cc2-c2cc(=O)c(C(=O)NCCO)cn21 1857654939 BJACRYHCFSBEHC-LJQANCHMSA-N 448.519 3.332 0 1 IGAF COCC(=O)N[C@@H]1[C@H](c2cccs2)N(Cc2cc(-c3ccccc3)no2)CC[C@@]1(C)O 2356674738 SIEWJOIJGYJZOP-YTFSRNRJSA-N 441.553 3.232 0 1 IGAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCN(C2=CC=C[CH]N2)CC1 2356856379 UAOBXSFHULKXDB-YTFSRNRJSA-N 439.624 3.064 0 1 IGAF CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)NCCCN1CCOCC1 13879044 RZCWMFZEEPRASZ-QGZVFWFLSA-N 445.585 3.231 0 3 IGAF CC1CCN(S(=O)(=O)N2CCC(C(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1 8811743 FEPGIXJUCSFKFJ-UHFFFAOYSA-N 447.645 3.156 0 1 IGAF CCCc1cc([S@@](C)=O)cc(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 28253305 ORNFQJMFUAJWMO-HKBQPEDESA-N 433.537 3.434 0 1 IGAF N[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1c1ccccc1 40651102 FJHKBXPXIQCCFE-YJBOKZPZSA-N 425.435 3.244 0 1 IGAF O=C(CN1CCC[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1)N1CCOCC1 73222881 LZTBBMYTELVXQM-FQEVSTJZSA-N 436.531 3.262 0 1 IGAF CC(=O)N1CCN(C(=O)c2cnc(NC3CCCCC3)nc2-c2ccccc2F)CC1 82151994 MNSZSBIOOUPIRW-UHFFFAOYSA-N 425.508 3.332 0 1 IGAF O=P(O)(O)C(Nc1cc(-c2ccc(OC3CCCC3)cc2)ccn1)P(=O)(O)O 84653656 ITFGTTSYKBYZIX-UHFFFAOYSA-N 428.318 3.121 0 1 IGAF CCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3c(N)ncnc23)c1F 84669112 MJJWZJINJGYJSU-UHFFFAOYSA-N 437.884 3.409 0 1 IGAF CCNC(=O)c1cc2c(-n3ccc(C(F)(F)F)n3)c(-c3cncc(C(=O)O)c3)cnc2[nH]1 84672473 QEODWPGJXCSBCR-UHFFFAOYSA-N 444.373 3.277 0 1 IGAF in-vitro CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@@H](CO)O1 95901767 ALHQUDNRSCILRO-GBPFJNKXSA-N 445.560 3.052 0 1 IGAF CS(=O)(=O)c1cccc(-c2cc(CC(=O)O)cc(-c3cc4[nH]c(N)ccc-4n3)c2O)c1 101150168 HPPPNQGLSKLZMJ-UHFFFAOYSA-N 437.477 3.167 0 1 IGAF Oc1cc2c3cnc(Nc4ccc(N5CCNCC5)cn4)nc3n(C3CCCC3)c2cn1 117681769 HYDOSWLWKXMOGK-UHFFFAOYSA-N 430.516 3.348 0 1 IGAF CN1O[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCc2cnncc2CC1 141852619 NRTWYDAMPPWJPV-AREMUKBSSA-N 436.519 3.481 0 1 IGAF CCc1ncc(Cc2ccc3cccc(NC(=O)C(N)=O)c3n2)c2cc(OC)c(OC)cc12 145130882 XUCXEJHCWUEFBU-UHFFFAOYSA-N 444.491 3.377 0 1 IGAF Cc1ccc(-n2nc(C3CCC(CN)CC3)cc2NC(=O)c2cnn3cccnc23)nc1 145851685 DKBHHIWHYHEZFB-UHFFFAOYSA-N 430.516 3.103 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4cn[nH]c4c3)c2)c2cncnc21 221756709 MQKOSUZNBKREQM-UHFFFAOYSA-N 426.440 3.162 0 1 IGAF CCC[C@](C)(O)[C@@H]1C[C@@]23C=C[C@@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5 299814129 LOOHQOHHYOAWOS-LZBFXFPWSA-N 425.569 3.467 0 1 IGAF CS(=O)(=O)c1ccc2nc(CCC[S@](=O)c3ccc(Br)cc3)[nH]c2c1 586958597 GTRGUCAAZMEAJS-DEOSSOPVSA-N 441.372 3.469 0 1 IGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(Br)c(C)nc2[nH]1 586964991 PZATUVRVBACODZ-UHFFFAOYSA-N 447.366 3.486 0 1 IGAF CCCCc1c(CC(=O)N[C@H]2CCOC2=O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987378 NYDVXESFYDLZFL-SFHVURJKSA-N 444.487 3.469 0 1 IGAF Cn1nc(C(=O)O)c(I)c1-c1nc2c(C(F)(F)F)cccc2[nH]1 587180169 OGKLKLDSEZAKCR-UHFFFAOYSA-N 436.131 3.285 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2C(=O)c2cc(C(=O)O)c(C(=O)O)cc21 587406085 FLBBKJBEWVWDJC-RUZDIDTESA-N 443.411 3.427 0 1 IGAF Cc1ccc2c(c1)OC(C(=O)O)=C[C@@]21c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962677524 ZZGPOHJKNRRQTI-LOSJGSFVSA-N 430.460 3.246 0 1 IGAF C[C@H]1C[C@H]2CSC(=N)N[C@]2(c2nc(NC(=O)c3coc(C(F)F)n3)cs2)CO1 1772571217 JVQDIEFSJNEVEV-DBQHQPDYSA-N 429.474 3.212 0 1 IGAF COc1cc2nc(NC(=O)CN3CCN(Cc4ccc(C)cc4)CC3)sc2cc1OC 1772602034 WMIQGBXGOKWGME-UHFFFAOYSA-N 440.569 3.378 0 1 IGAF CC1=C[C@@H]2C=CC[C@H](C)C(=O)[C@](C)(O)C=C[C@H](O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@H]1C 2356336930 TUOTYDFTSBXZFM-UWHNWOPHSA-N 449.591 3.376 0 1 IGAF COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 61921570 IOCKXHBSWWFCEO-UKHYVGRKSA-N 430.432 3.027 0 3 IGAF COc1ccc([C@@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2)c(OC)c1 4295671 WWZLCQYIMAAHRW-VWNXMTODSA-N 437.540 3.398 0 1 IGAF Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C[C@@H]4CCCO4)CC(=O)N32)c1 15953551 POZWVXURYZDLPS-QRJOEMBSSA-N 429.520 3.340 0 1 IGAF biogenic O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21 20209204 UGBYBGCCWJERKR-UHFFFAOYSA-N 445.972 3.150 0 1 IGAF O=C(Nc1ccccc1)Nc1cc2c(cc1Cl)nc(O)n1nc(C(=O)O)c(C(=O)O)c21 29061068 RLEGXTMHDNWMRU-UHFFFAOYSA-N 441.787 3.282 0 1 IGAF Cc1cc(C(=O)Nc2ccc(C)c(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)c2)n(C)n1 96916322 GEKJTAPWQNPCAD-UHFFFAOYSA-N 445.483 3.473 0 1 IGAF COCc1ccc(CN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)cc1 116676113 YACWPSXLFBXNDY-UHFFFAOYSA-N 437.500 3.430 0 1 IGAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1cc(C(=O)OCC)no1 118698300 HFFFPNMBYHTPHB-UHFFFAOYSA-N 429.429 3.458 0 1 IGAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(Nc4cc(F)cc(Cl)c4)nc23)N1 205047475 BRYVQFANMXNSOE-BNNQUZSASA-N 427.827 3.020 0 1 IGAF CCOc1ccc2ccccc2c1C(=O)N1C[C@H]2CN(c3nc(OC)cc(OC)n3)[C@H]2C1 261139852 MWACBRSAFUHLQD-WMZOPIPTSA-N 434.496 3.007 0 1 IGAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(CO)cc2[nH]1 586956721 TUCBZBZYJKMVQY-UHFFFAOYSA-N 435.505 3.482 0 1 IGAF FC(F)(F)c1nn(CCc2nc3nc(Br)c[nH]c-3n2)cc1Br 587119541 XXLDLIZXYFGQDB-UHFFFAOYSA-N 440.021 3.288 0 1 IGAF CCn1ncc([C@@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587579259 CXNVNOYEGUSGBO-WIOPSUGQSA-N 449.507 3.106 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599229 DHSSFFDJDXTNDE-BWKNWUBXSA-N 448.427 3.390 0 1 IGAF O=C(O)c1nc[nH]c1[C@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962698522 MYYDMRYHDWVZHE-FOIQADDNSA-N 449.360 3.157 0 1 IGAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@]2(CCCC[C@H]2[C@H]2COCCN2)N1 962926700 UBZWOGGVCKUPSV-FDHFVPJWSA-N 438.524 3.157 0 1 IGAF O=c1nc(O)ccn1[C@H]1CC[C@@H](CO[P@](=O)(Nc2ccccc2)Oc2cccnc2)O1 1857540305 SZEHGPROWKIEBR-VRKJNYRMSA-N 444.384 3.337 0 1 IGAF CC1=CC[C@@H]2C(C)(C)[C@H](O)[C@H](OC(=O)CCC(=O)O)C[C@@]2(C)[C@H]1CCC1=CC(=O)OC1 2356475393 ZUFDWKUXJOZMLK-OLAVPOATSA-N 434.529 3.406 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@@H]2OC(=O)[C@](C)(OC(=O)C=C(C)C)[C@H]21 2356675470 XBHSWWUGHYACAO-CCRFHWCHSA-N 446.540 3.411 0 1 IGAF C[C@@]12CCCc3coc(c31)C(=O)c1cc3c(O)c(C(=O)O)cc(OS(=O)(=O)O)c3cc12 2356786747 BAIVUJURMCFYAV-NRFANRHFSA-N 444.417 3.205 0 1 IGAF Cc1ccc(S(=O)(=O)Cn2nnnc2[C@@H](C(C)C)N2CCc3ccccc3C2)cc1 19211181 KXNUISJJBNGNMP-OAQYLSRUSA-N 425.558 3.168 0 3 IGAF O=c1ccn([C@@H]2C=C[C@@H](COP(=O)(Oc3ccccc3)Oc3ccccc3)O2)c(=O)[nH]1 28528786 WTBYVSFHNKXXGR-ICSRJNTNSA-N 442.364 3.273 0 1 IGAF C[C@H](NC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(=O)O 29126385 OJPHTSOMTCBSRQ-MBEBEXRASA-N 438.568 3.440 0 1 IGAF O=C(Nc1ncc(Br)s1)NS(=O)(=O)c1cccc(OC(F)F)c1 45348532 CSQRTNQHFALVNU-UHFFFAOYSA-N 428.236 3.017 0 1 IGAF Cn1cnc2cc(Cl)c(C(=O)Nc3ccc(C(=O)NCc4cccnc4)cc3)cc2c1=O 72107399 ZHGOKKKKRAMWIA-UHFFFAOYSA-N 447.882 3.164 0 1 IGAF CC[C@H](Cc1ccc(O)c(OC)c1)[C@H](O)C[C@@H](O)CCc1cc(OC)c(O)c(OC)c1 85595761 MFCJDUXQCIFTJS-WSTZPKSXSA-N 434.529 3.437 0 1 IGAF biogenic,in-vitro C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccccc3)c2O[C@@H]1CN(C)C 95836170 SSJJWSMGDNAKCS-XGHQBKJUSA-N 440.544 3.112 0 1 IGAF CO[C@H](CN(C)Cc1ccc2c(c1)OCO2)[C@@H](C)CN(C(=O)c1ccccc1)[C@H](C)CO 95898980 RDQYWFNTQPCNSM-XLNZFTOWSA-N 442.556 3.021 0 1 IGAF COc1ccccc1NC(=O)[C@H]1CC[C@H](NC(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 103252750 VMBUCXFIOKWUID-CALCHBBNSA-N 448.523 3.178 0 1 IGAF COc1cc(OC)c([C@@H]2c3cc4c(cc3O[C@@H](N3CCOCC3)[C@H]2C)OCO4)c(OC)c1 105518670 UDLVQRWGRXVIGM-XYXGBRQHSA-N 443.496 3.260 0 1 IGAF Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](Cn1ccnc1)C(=O)OCC(C)C 473085954 ZGYRQULAVVNNPK-QGZVFWFLSA-N 429.908 3.028 0 1 IGAF CC[C@H](C)C[C@H](C)C(=O)O[C@]1(C)C(=O)c2c(cc(O)c3c2C[C@@H](O)C[C@H]3C)[C@](C)(O)C1=O 473101889 LCCGEVUWWBLMGC-FESDIHLUSA-N 446.540 3.150 0 1 IGAF COc1ccc2c(C)c(CCc3nc4ccc(S(C)(=O)=O)cc4[nH]3)c(=O)oc2c1C 586918909 SQDOEQCQZMKMJO-UHFFFAOYSA-N 426.494 3.483 0 1 IGAF CCOC(=O)c1cc(Br)c2[nH]c([C@H](C)Sc3nc(N)cc(O)n3)nc2c1 586960320 AYTGUBDFHZLROV-ZETCQYMHSA-N 438.307 3.433 0 1 IGAF N[C@H](N=O)c1ccc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2c1 586999654 GIKIYNYRKUDFGZ-GOSISDBHSA-N 430.262 3.017 0 1 IGAF O=S(=O)(c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1)N1CCOCC1 587133923 FERLFZFULMVDFC-UHFFFAOYSA-N 447.435 3.096 0 1 IGAF CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(N)ncc2[nH]1 587217192 BHCIWMPHSKCICS-HNNXBMFYSA-N 425.489 3.630 0 1 IGAF Nc1ccccc1[C@@]1(C[C@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329959 AZIAVXBQOFNHGJ-ZCVJKFOLSA-N 436.439 3.170 0 1 IGAF CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441072 CXPKJLCCGQCQDX-VVWXKSFDSA-N 431.485 3.144 0 1 IGAF O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)n1ncc2ccc(Cl)cc2c1=O 587652088 VVOITXKCMVLLBL-UHFFFAOYSA-N 431.323 3.161 0 1 IGAF COC(=O)Cc1cc(OC)n(C[C@H](c2cccc(Br)c2)N(C)C)c1OC 587941244 SYVAGLKUACBBPI-MRXNPFEDSA-N 425.323 3.286 0 1 IGAF CCCCN1C(=O)[C@H]([C@@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)C(=O)c2ccccc21 963509567 OFXCVMRSAJXXNX-HCYUJWNOSA-N 436.508 3.161 0 1 IGAF CC1(C)Oc2cc(O)ccc2[C@H]2C1=CCn1c(=O)n(-c3ccc(C(F)(F)F)cc3)c(=O)n12 1772644443 RSYBGJNKAQIHHQ-SFHVURJKSA-N 445.397 3.226 0 1 IGAF OC[C@@]12C[C@@H]1[C@@H](n1cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc31)[C@H](O)[C@@H]2O 1857601635 XZADYTVUIMSDEU-GKAAXYRWSA-N 428.492 3.117 0 1 IGAF COc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)Cn2c-3nc3ccccc32)cc1 1857612394 APJWSDLNUCLMSJ-UHFFFAOYSA-N 434.477 3.465 0 1 IGAF C[C@@H]1CN(Cc2ccc(F)cc2)C[C@@]1(F)c1nc(O)c2cnn(C3CCOCC3)c2n1 1857650139 QRFHENUEIOKNGY-PEBXRYMYSA-N 429.471 3.339 0 1 IGAF Cc1nc(Nc2c[nH]nc2C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c2ccsc2n1 1857749145 UTOOUGRNDHHJJR-UHFFFAOYSA-N 448.556 3.471 0 1 IGAF CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@](C)(O)[C@](C)(C=CC2=CC(=O)OC2)[C@@H]2CCC=C(C)[C@]12C 2356743669 VQWPROISONEVNZ-FXJALBOYSA-N 432.513 3.023 0 1 IGAF Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(C(C)C)cc1 6578027 SWGLVHVJYKFICX-UHFFFAOYSA-N 444.557 3.265 0 3 IGAF COC(=O)C[C@@H]([C@H](C(C)=O)C(=O)OCc1ccccc1)N1C(=O)OC[C@@H]1c1ccccc1 5835642 GFQPDPJYPJHRKN-VWPQPMDRSA-N 439.464 3.060 0 1 IGAF CCc1ccc(NC(=O)[C@H](NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C(C)C)cc1 16042530 KOWDDBTVJNQGNR-SELNLUPBSA-N 436.556 3.203 0 1 IGAF biogenic COCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@H](c1ccccc1)CN2 82208918 DRHGPLVZLSYYFM-IBGZPJMESA-N 432.480 3.030 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1cc(F)ccc1F)CC31CN(C(C)=O)C1 95868438 DRPGIQCZMLLXMK-NRFANRHFSA-N 441.478 3.104 0 1 IGAF CO[C@@H](CN(C)Cc1ccc2c(c1)OCO2)[C@H](C)CN(C(=O)c1ccccc1)[C@H](C)CO 95898975 RDQYWFNTQPCNSM-IECBHUPTSA-N 442.556 3.021 0 1 IGAF CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4[nH]nc(Cl)c4c3)CC1)C2 96283392 HJYPOOSQUPLKLU-UHFFFAOYSA-N 440.935 3.129 0 1 IGAF C[C@H]1CN(c2nc(N3CCOC[C@@H]3C)c3ccc(-c4ccc(O)cc4)nc3n2)C[C@@H](C)O1 139482004 XUCPTAXSDZNKIF-YESZJQIVSA-N 435.528 3.236 0 1 IGAF O=C(O)COc1cccc(-c2noc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1 144641595 YQXLHIAMLBLKRU-LJQANCHMSA-N 437.452 3.333 0 1 IGAF CC1(OC(=O)N2CCC([C@H]3C[C@H]3COCc3ccc(-n4cnnn4)cc3F)CC2)CC1 144789522 KWTCVUPNCYCSHK-PKOBYXMFSA-N 429.496 3.355 0 1 IGAF C[C@]12C[C@]34CCC(=O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@@H](C[C@@H]1C4)O2 195128942 XADCWKSMHQPTGH-AQVIUKCCSA-N 443.496 3.458 0 1 IGAF C[C@H]1CN(Cc2ccc(Cl)s2)C[C@@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 205455977 GZSRRVIDDJGCHN-WFASDCNBSA-N 433.965 3.262 0 1 IGAF O=C([C@H]1CCCCN1C(=O)COc1ccccc1)N1Cc2ccc([C@@H]3CCOC3)cc2C1 299854788 BQKXLNBWWATGRI-ZJSXRUAMSA-N 434.536 3.493 0 1 IGAF COc1cc2oc(-c3cccc(OC(=O)N4CCOCC4)c3)cc(=O)c2c(OC)c1OC 299870605 WONJTCPHSYVUON-UHFFFAOYSA-N 441.436 3.317 0 1 IGAF O=C1COc2cc3nc(-c4cccc(=O)n4CCOc4ccccc4Cl)[nH]c3cc2N1 587064163 NMGHKGNUCFULSR-UHFFFAOYSA-N 436.855 3.455 0 1 IGAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCOCC3)c(S(C)(=O)=O)c1)CC2=O 587490900 ZVMKFYIRLWHFPC-NRFANRHFSA-N 445.537 3.291 0 1 IGAF C=CN1CC[C@H]([C@@]2(c3cnccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587768173 LCGOKPONVZHOLZ-TUXXCZFBSA-N 431.309 3.148 0 1 IGAF CN1CCN(Cc2cccc(NC(=O)Nc3cccc4c3[C@@H]3CCCCN3C4=O)n2)CC1 653739266 NSLLDWCUSCDHJX-FQEVSTJZSA-N 434.544 3.154 0 1 IGAF CCCc1ccc(OCC(=O)N(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)C(C)C)cc1 1857543314 JDTPAPCDHPQTGX-UHFFFAOYSA-N 446.569 3.297 0 1 IGAF CCOC(=O)c1cnn(-c2ccc(-n3cc(CCCC(=O)O)nn3)cc2)c1C(F)(F)F 1857759956 YLRIGBSGVGOTTR-UHFFFAOYSA-N 437.378 3.056 0 1 IGAF Cc1cc(OCc2nnc(S(=O)(=O)Cc3cccc(F)c3)o2)cc2oc(=O)cc(C)c12 1857774698 JGPAGNZVFHXIOJ-UHFFFAOYSA-N 444.440 3.485 0 1 IGAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@@H]2[C@@H]1CC[C@@H]2C[C@H](O)C3(CCCC3)[C@H]2N1 2356363096 GTUHSHPOSBVDFZ-NKFYJKRCSA-N 448.607 3.222 0 1 IGAF O[C@H]1[C@@H](COc2ccccc2)O[C@@H](O)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 2356678432 GCORHPRPELISIA-UVIRKTLASA-N 436.504 3.314 0 1 IGAF COc1ccc(N(C(=O)[C@@H]2CSC(=O)C2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 13086261 DOERKPMWBFUAPN-JXFKEZNVSA-N 441.553 3.359 0 3 IGAF COc1cc2c(-c3cc(=O)oc4c(OC)c(O)c(OC)cc34)cc(=O)oc2c(OC)c1O 13376982 SRXDLJDZODAADY-UHFFFAOYSA-N 442.376 3.012 0 1 IGAF biogenic CC(=O)OCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc21 14974543 FONWXTBTYUBXDF-UHFFFAOYSA-N 435.922 3.171 0 1 IGAF CC1(N)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2Cl)C1 27415987 JNPQEJJSFKIYAD-UHFFFAOYSA-N 437.805 3.297 0 1 IGAF O=C(C[C@@H]1CCCNC1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1 27996097 OCQMLWAKDUESEF-BVZFJXPGSA-N 439.003 3.457 0 1 IGAF Cc1ccc(NS(=O)(=O)Cc2nnc(CS(=O)(=O)c3ccc(C)cc3)s2)cc1 64564931 JZOYKVZUFZCAPO-UHFFFAOYSA-N 437.568 3.071 0 1 IGAF C[C@@H]1[C@@H]2[C@H](C(=O)N1Cc1ccc3c(c1)OCO3)[C@H](c1ccc(C(=N)N)cc1)N(C)C2(C)C 70718752 ZVHUDZOJVBUHDC-HIAIUQMRSA-N 434.540 3.128 0 1 IGAF Nc1ncc(-c2cccc(OC(F)(F)F)c2)nc1C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 84633822 KACWONWCFCFZRJ-UTZANPLBSA-N 448.445 3.294 0 1 IGAF CSc1ccccc1Nc1nc(N2C[C@@H]3C[C@H]2CN3)nc2c(NCC3CC3)ncnc12 84670670 SXRUXZDRZZKTST-GJZGRUSLSA-N 434.573 3.258 0 1 IGAF COC(=O)[C@@H]1[C@@H](OC(C)=O)CC[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@@H]3C[C@H]12 86038271 UEFILKPKYUBUOT-ZXFCLDPMSA-N 426.513 3.227 0 1 IGAF CN(CCOc1ccc2c(c1)[C@@H](Cc1ccccc1)[C@H](N)CC2)S(=O)(=O)CC1CC1 88260753 PNVMXGRNXIQKCV-DNQXCXABSA-N 428.598 3.337 0 1 IGAF O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 95871493 MBZDDLDSEITRDD-VDKIKQQVSA-N 448.469 3.443 0 1 IGAF Nc1cc(CO)ccc1NC(=O)c1ccc(CNc2nccc(-c3cccnc3)n2)cc1 96273684 WIVCFIBOZTTXER-UHFFFAOYSA-N 426.480 3.478 0 1 IGAF CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 104639092 PHKJZWLSXPBGNC-YGOYIFOWSA-N 438.568 3.179 0 1 IGAF CS(=O)(=O)N(Cc1ccco1)C[C@@H](O)Cn1c2ccc(F)cc2c2cc(F)ccc21 148608245 KLVMAYKLBBROIZ-MRXNPFEDSA-N 434.464 3.488 0 1 IGAF COc1cc(Nc2nc3n(n2)[C@H](C)CCN3CCC(C)(C)O)ccc1-n1cnc(C)c1 299833585 QMOFTEYKFWKBQO-MRXNPFEDSA-N 425.537 3.457 0 1 IGAF O=C([C@H]1CCCCN1C(=O)COc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 299856507 JFUMDKQHPYBTQG-JOCHJYFZSA-N 441.959 3.449 0 1 IGAF CCCCc1cc(=O)oc2cc(OCc3nc4cccc(S(N)(=O)=O)c4[nH]3)ccc12 586918904 SLILUNPZYYBYAW-UHFFFAOYSA-N 427.482 3.238 0 1 IGAF COc1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cc1OC 587002018 HYZGWLCPBRZQMC-UHFFFAOYSA-N 432.274 3.311 0 1 IGAF CC[C@@H](c1nc2c(S)nc(S)nc2[nH]1)n1cc(I)c(C)n1 587185732 XFUZIYCFAYQRPN-ZETCQYMHSA-N 432.316 3.039 0 1 IGAF CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OCC(N)=O 587576036 DSOYONKHIWCEHJ-XUZZJYLKSA-N 435.432 3.358 0 1 IGAF CCOC(=O)CC[C@]1(c2ccc(OC)cc2C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963528441 SNVBWOQPVJMNRF-YADARESESA-N 427.497 3.203 0 1 IGAF CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)c[n+]3[O-])c2)CC1 1772623232 BNNADQZTEDNFTR-UHFFFAOYSA-N 444.963 3.352 0 1 IGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)N[C@@H]3CCNC3)cc21 1857607484 VPIWQJULICWZHJ-JOCHJYFZSA-N 440.547 3.432 0 1 IGAF C[C@@H](C(=O)NCCOc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2ccccc2)c(F)c1 1857755470 ZALRHFHOXJTXDE-MRXNPFEDSA-N 442.512 3.439 0 1 IGAF COc1cccc2nn(CCCCN3CCN(c4cccc5sccc45)CC3)c(=O)n12 1911572408 GIBQHBGCKQERBV-UHFFFAOYSA-N 437.569 3.322 0 1 IGAF COc1cc(C[C@H](COC(C)=O)[C@H](CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC 2356412242 LFUFKUFEHAHTRG-RBUKOAKNSA-N 446.496 3.014 0 1 IGAF COC(=O)[C@]12CCCC3=C1[C@H](C[C@H](C)[C@@]31C[C@@H](c3ccoc3)OC1=O)O[C@H]2OC(C)=O 2356645003 AZQXQJBTHHOQGP-NPOOHANGSA-N 430.453 3.222 0 1 IGAF Cc1ncc(C[n+]2csc(CCOC(=O)C34CC5CC(CC(C5)C3)C4)c2C)c(N)n1 4748204 JNHXDAVQZIKMCS-UHFFFAOYSA-N 427.594 3.375 0 3 IGAF CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCC2CCCCC2)C(=O)N1Cc1ccccc1 61923449 DPPLRAYRWSWVAU-NRFANRHFSA-N 425.573 3.484 0 3 IGAF Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc([C@@H]4CCCN(C(=O)c5cccs5)C4)nc2-3)c1 104179563 KCHLWNYPFITJSZ-MRXNPFEDSA-N 448.552 3.213 0 3 IGAF C[C@@H](NC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1)[C@H](O)c1ccccc1 4381374 RTRJHCUKMFRIHX-VPJOFFEXSA-N 448.519 3.318 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@H](CO)[C@@H](C)CC 4533668 QQQQLTKCRKONKD-IPLAOIKGSA-N 430.589 3.095 0 1 IGAF CC(C)C[C@H]1NC(=O)[C@@H]([N+](=O)[O-])Cc2cn(c3ccccc23)C(=O)c2ccccc2NC1=O 14682456 KGMJPYKOPYIKIO-CTNGQTDRSA-N 448.479 3.001 0 1 IGAF biogenic NCCCC[C@H](C[P@](=O)(O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 26248580 YMWSZSQXNKPFPB-UXHICEINSA-N 438.505 3.101 0 1 IGAF O=C(S[C@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc(F)cc1)c1ccccc1 27309688 NXIPMBCZAZWEQB-QZTJIDSGSA-N 429.469 3.416 0 1 IGAF O=C(O)C[C@H](NC(=O)c1cc(Cl)ccc1NC(=O)OCc1ccccc1)C(=O)CF 28825312 JITOQWXUHZCKLJ-INIZCTEOSA-N 436.823 3.200 0 1 IGAF Cc1nn(C)c(NC(=O)CN(C)CCCN2CCCC[C@H]2C)c1C(=O)c1ccccc1F 29392780 KRAYBIQNPJXEPH-QGZVFWFLSA-N 443.567 3.233 0 1 IGAF CC(C)N1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1 49049352 QXJULKWSMKOTMF-UHFFFAOYSA-N 427.508 3.103 0 1 IGAF CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc([C@@H]3CCOC3)c2)CC1 60327925 IROUFPLAOXNCIN-VEXUSMLFSA-N 444.522 3.156 0 1 IGAF Cc1cc(=O)oc2cc(OCCCCn3cncn3)cc(OCCCCn3cncn3)c12 66066258 IZUVDCWIMNHEJC-UHFFFAOYSA-N 438.488 3.003 0 1 IGAF CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc(O)c3[nH]c(C4CCCC4)nc23)cc1 73296733 OSGOEXDFPUYQTQ-UHFFFAOYSA-N 442.541 3.270 0 1 IGAF Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C(=O)NCc2ccccc2)c1 82146518 OZQIEIDOIVLVFF-HXUWFJFHSA-N 429.524 3.084 0 1 IGAF CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)N(CCO)C(=O)[C@@H]13 100105147 OIKFDHXDOGJMOI-VYYWECGGSA-N 443.584 3.490 0 1 IGAF CC(C)[C@H]1COCCN1c1nc2c(C(=O)NC3C[C@H]4CCC[C@H](C3)N4C)cccc2o1 101372640 VMTCKBHBISQSTL-QWFCFKBJSA-N 426.561 3.434 0 1 IGAF COc1ccc(-n2ncc3c2CCc2cc(S(=O)(=O)c4ccccc4)c(=O)n(C)c2-3)cc1 200022504 DCRSPJMKXWCNGX-UHFFFAOYSA-N 447.516 3.178 0 1 IGAF CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2c(Cl)cccc21 220257603 BBRLTFHJFPOXLE-UHFFFAOYSA-N 429.929 3.313 0 1 IGAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccn(-c2ccc(Cl)cc2)n1 221678224 RWUSZRWKGUZDBQ-XWCIJXRUSA-N 446.870 3.334 0 1 IGAF COc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2nc3ccccc3s2)cc1O 299863491 PDUXLLCBAAUBDO-KRWDZBQOSA-N 426.523 3.442 0 1 IGAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@@H]2CCCO[C@H]2C1(C)C 587238823 GJTWNJDXKJPLRE-CMILKDJGSA-N 442.516 3.449 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2cccc(OC)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603051 ZPZGTHIRKVLLJG-BWKNWUBXSA-N 448.427 3.390 0 1 IGAF CCOC(=O)c1c(CNC(=O)OCc2ccccc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650835 VBUFYIDNJHRPTD-UHFFFAOYSA-N 430.482 3.175 0 1 IGAF O=C(O)C1=COc2ccc(F)cc2[C@@]12N[C@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962718059 YILGZEAWGMYPBU-HNAYVOBHSA-N 441.308 3.187 0 1 IGAF Cc1cc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1 1772611364 RVGXOKRCLYGLFE-GJZGRUSLSA-N 431.422 3.148 0 1 IGAF CN1CC[C@@H](NC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)C1=O 1772642240 BTRJSWIXCINWBN-QGZVFWFLSA-N 430.386 3.401 0 1 IGAF O=C(c1ncco1)N1CCN([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC1 1857647385 NEPYRLZOQLRDHB-LJQANCHMSA-N 432.480 3.030 0 1 IGAF COc1cc([C@H](O)[C@@H](C)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)c1OC 2356503719 QHYPOKHWZKVCEW-SPLOXXLWSA-N 434.485 3.236 0 1 IGAF CC=CC=CC[C@@H]1C[C@H](O)[C@@H]2[C@@H]3C(C)=C[C@@H]4C=C[C@H](O)[C@H](O)[C@H]4C(C)=CC=C[C@H]3C(=O)N21 2356694762 HFNMIOGEGCXSJX-FCUQMMNASA-N 437.580 3.072 0 1 IGAF C[C@H](NC(=O)c1[nH]cnc1C(=O)NC(c1ccccc1)c1ccccc1)C(=O)OC(C)(C)C 15953067 LEPOOZSCPFHWQQ-INIZCTEOSA-N 448.523 3.389 0 3 IGAF COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)c1 95566998 KESAAMPFXQTKIS-VQTJNVASSA-N 445.560 3.092 0 3 IGAF CCCc1cc(O)c([C@H](c2cccc(NS(=O)(=O)c3cn(C)cn3)c2)C2CC2)c(=O)o1 3815638 AHSQZQWEKNDRIX-FQEVSTJZSA-N 443.525 3.374 0 1 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCOCCO 4152112 FVSMHOWJZJBHSY-VWNXMTODSA-N 440.540 3.426 0 1 IGAF Cc1c(C(=O)NCc2ccccn2)oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12 6152969 FFYHEJBFUXLVKH-UHFFFAOYSA-N 427.526 3.487 0 1 IGAF COc1ccc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)cc1CC[C@H](C)CO 14648356 XILGLRLCQZPKFI-LBPRGKRZSA-N 430.453 3.458 0 1 IGAF biogenic O=C([C@H]1CCCN1)N1CCC[C@@H]1P(=O)(Oc1ccc(O)cc1)Oc1ccc(O)cc1 26001463 SWAFRSRTJLTPKZ-UXHICEINSA-N 432.413 3.449 0 1 IGAF Nc1nc(-c2ccc(C(=O)NCCc3ccc(O)cc3)cc2)cn2nc(-c3ccco3)nc12 28526687 HUYLASKTXVQSES-UHFFFAOYSA-N 440.463 3.312 0 1 IGAF Cc1cc([C@]2(c3cccc(-c4cncnc4)c3)N=C(N)c3c(F)cccc32)cn(C)c1=O 95577644 PWBMZGIIIRTNKV-VWLOTQADSA-N 425.467 3.301 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)Nc3ccccc3)cc2OC[C@@H](C)NC[C@@H]1C 95667372 QIMBDCVCKXPNLA-GSHUGGBRSA-N 440.544 3.424 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(C)C[C@@H]1C 95689171 GJRFAEJZYRRRGG-IXFSTUDKSA-N 439.556 3.375 0 1 IGAF COc1ccc([C@]23OC[C@@H](Cc4cc(OC)c(OC)cc42)[C@@H]3COC(C)=O)cc1OC 102957673 GVZPMSFHNAIPPW-MTJJIEKYSA-N 428.481 3.346 0 1 IGAF O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3ccc(F)c(-c4cnc(F)nc4)c3CCN12 149506465 ISVRBGUBZGPZBA-UHFFFAOYSA-N 432.434 3.182 0 1 IGAF O=C(/C=C/c1ccc(Br)cc1)N1CCN(C(=O)c2ccc3c(c2)CCO3)CC1 169345919 MNPPWOAWYZGUBL-FPYGCLRLSA-N 441.325 3.382 0 1 IGAF Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1[C@H]1CC[C@@H](O)CCO1 205635197 KCJBGIOCTZLHAV-QMTHXVAHSA-N 449.483 3.259 0 1 IGAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Oc2ccc(Br)cc2F)CC1 207178686 MKOGIKITDSUWCY-UHFFFAOYSA-N 446.342 3.171 0 1 IGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(OC3CCOCC3)c2c(C)n1)c1ccccc1 209322838 WNIRYZDPJSTTOL-GOSISDBHSA-N 425.489 3.333 0 1 IGAF Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@H](Nc2ncc(C(F)(F)F)cn2)C3)c1-n1nccn1 221044611 IDUVVOAZBAZUNS-UAGQMJEPSA-N 443.433 3.242 0 1 IGAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3cc(Cl)ccc32)CC1 261181395 WEBMMUHCVJHRCV-RZDIXWSQSA-N 425.982 3.298 0 1 IGAF O=C1COc2cc3[nH]c(-c4sccc4S(=O)(=O)NCc4cccs4)nc3cc2N1 586945519 IFJAANXWKYBNCV-UHFFFAOYSA-N 446.535 3.162 0 1 IGAF CC(C)=CCc1c(O)ccc2c3c([nH]c12)C(C)(C)[C@H]1C[C@@]24CCCN2C(=O)[C@@]1(C3)NC4=O 1772573927 RWBYEKCUNMXINJ-BAEUJYSMSA-N 433.552 3.466 0 1 IGAF O=C(NCc1ncccc1F)c1cnn(C[C@@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)c1 1857609897 ZFTUVGFPUSGIEI-QGZVFWFLSA-N 447.518 3.136 0 1 IGAF COc1cc([C@H](CC(=O)O)[C@H]2N(O)C(C)=C(C)N2Cc2ccc3c(c2)OCO3)ccc1O 2356844274 NTEBQTGTBKXSSH-GAJHUEQPSA-N 442.468 3.472 0 1 IGAF COc1ccccc1S(=O)(=O)NCc1ccc(C(=O)N[C@@H](C)c2ccccn2)cc1 9717046 BIWLSWLSEVGBCM-INIZCTEOSA-N 425.510 3.060 0 3 IGAF COCCNC(=O)c1cc(-c2ccccc2)n(C[C@H]2CC(c3ccc(OC)cc3)=NO2)n1 36384166 JAFBRFLGXQYFIY-HXUWFJFHSA-N 434.496 3.128 0 3 IGAF COc1ccc(NC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1N1CCN(C)CC1 13806209 NOZFNNNSDDCCDK-UHFFFAOYSA-N 425.508 3.432 0 1 IGAF O=C(O)Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(Br)cc12 13860792 BVDGRMGFKFZCLQ-UHFFFAOYSA-N 430.283 3.444 0 1 IGAF CN(C)C(=O)c1cccc(NC2=NS(=O)N=C2N[C@@H](c2ccccc2)C(C)(C)C)c1O 29037935 XFJBABVMOSLUTO-AHWGAIPKSA-N 441.557 3.272 0 1 IGAF COc1cccc2c1CC[C@H]1CN(CCn3c(O)nc4c(sc5ccncc54)c3=O)C[C@@H]21 29342467 ABSHIKAJJIGDIR-KBXCAEBGSA-N 448.548 3.382 0 1 IGAF O=C1N[C@@H](c2ccccc2)C2(CCN(C[C@H](O)COc3cccc4ncccc34)CC2)O1 45193726 LHRKAYAQNMWYGP-CVDCTZTESA-N 433.508 3.290 0 1 IGAF CN1C(=O)[C@](c2cccc(-c3cncnc3)c2)(c2cnn(CCC3CCCCC3)c2)N=C1N 72180463 IMPSJODCGOEHNO-VWLOTQADSA-N 443.555 3.341 0 1 IGAF CCCCCCOc1ccc(-c2nc(C(=O)N(C)CC(=O)OCCN(C)C)co2)cc1 82073996 CZMYSURBNOLETD-UHFFFAOYSA-N 431.533 3.478 0 1 IGAF CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3cnc4c(Cl)c[nH]c4c3)CC1)C2 96283389 OGEMYMVKDPFQRH-UHFFFAOYSA-N 440.935 3.129 0 1 IGAF CCOCCCc1ccc2c(c1)[C@@]1(N=C(N)N(CC(F)F)C1=O)C1(CCC(OC)CC1)C2 169700495 ZYNCNABWUAMIEC-WQMGSUCASA-N 449.542 3.405 0 1 IGAF C[C@@H](CO)n1c2cnccc2c2cnc(Nc3ccc(N4CCC(N(C)C)CC4)cn3)nc21 169706818 WXLRQGFVKSLMNA-INIZCTEOSA-N 446.559 3.202 0 1 IGAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 586945690 KLJFOFLCFRWYMK-OAHLLOKOSA-N 443.525 3.157 0 1 IGAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cnc(N(C)C)nc3C)[nH]c2c1 587195410 HAGBLXIXJHTOAG-UHFFFAOYSA-N 438.513 3.204 0 1 IGAF NC(=O)NCCC[C@H](N)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587260582 ZWHHPJXXIKDJGL-AWEZNQCLSA-N 432.322 3.353 0 1 IGAF CC1=C[C@]2(CC(=O)N1CCC(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587339108 DYBUMASKFDJRIK-FYYLOGMGSA-N 425.412 3.240 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587352328 WXPOBNPFLGWAGJ-MBSDFSHPSA-N 430.428 3.391 0 1 IGAF CCO[C@@H]1C[C@@]2(Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@]12CCCN(C(=O)C(F)(F)F)C2 587423681 YMNZQGOQPVAWGM-XQJRBRMLSA-N 439.430 3.161 0 1 IGAF CC(C)(C)NC(=O)[C@@H](c1ccc2c(c1)OCO2)N1CCc2c([nH]c3ccccc23)CC1=O 653854536 RLSLDGQGGMQYGX-HSZRJFAPSA-N 433.508 3.480 0 1 IGAF Cc1c2c(nn1C)[C@@H](c1cc(Br)ccc1OC(F)(F)F)N[C@H](C(=O)O)C2 962718994 XEZYPFDEEWXCAQ-WCQYABFASA-N 434.212 3.078 0 1 IGAF COc1cc(F)ccc1N1C(=O)COc2cc(S(=O)(=O)Nc3nccs3)ccc21 1772616499 LPBSPGYRGUNKFT-UHFFFAOYSA-N 435.458 3.149 0 1 IGAF C[C@@]1(Nc2ncc(C(F)(F)F)cc2F)CCC[C@H]1NC(=O)c1ncccc1-n1nccn1 1772639984 HAZMOELOWBXLFD-DNVCBOLYSA-N 449.412 3.368 0 1 IGAF COc1ccc(Oc2ccc([C@@H](C)N(C)c3ncc4c(=N)[nH]c(=N)nc-4[nH]3)cc2)cc1OC 1857615066 QBXOUGNXBQGZOW-CYBMUJFWSA-N 447.499 3.203 0 1 IGAF CN1CCN(c2cccc3c2C[C@H](CN2CCC[C@H]4CCc5cccnc5[C@H]42)NC3)CC1 1857744680 XIFOVNBYXGVAQJ-AIUHUKMKSA-N 431.628 3.247 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CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(-c4ccncc4)ccc3nc2-1 71317371 FUQDNNAVDRNDCH-VWLOTQADSA-N 425.444 3.142 0 1 IGAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OCC)c3c2)c1F 72180266 VOGQWECSORTWQP-UHFFFAOYSA-N 439.444 3.039 0 1 IGAF CNCCNC(=O)c1cc2c([nH]c3ccc(O)cc32)c(C(=O)c2c[nH]c3ccccc23)n1 73139521 SEEGNHQLBYLQHD-UHFFFAOYSA-N 427.464 3.083 0 1 IGAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccccc2)C1 82132925 LBBUDSXSTFMMPI-ICSRJNTNSA-N 435.572 3.463 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)c2ccco2)C1 82198838 IMMCMWGEBDRTHV-RTBURBONSA-N 444.528 3.056 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccco2)C1 82199414 BYWHGWVZSIIKHG-NHCUHLMSSA-N 444.528 3.056 0 1 IGAF CCCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)CC)C[C@@H](C)[C@@H](OC)CN(C)C2=O 95688107 AIFWRYWOLLCZOS-WWMYMODYSA-N 447.576 3.168 0 1 IGAF COc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCCC5)CC(=O)N4[C@H]3CO)cc2)c1 95866289 JYZIRKKXAOIGHT-USZFVNFHSA-N 448.563 3.440 0 1 IGAF O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(CN2C[C@H]3CNC[C@H](C2)O3)ccc1Cl 101094917 YVDKBJBYBPODBK-MYEVTSJNSA-N 444.019 3.459 0 1 IGAF CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(Br)cc4)oc23)[C@H](O)C1 141091582 SASCFBGSAVCXNS-SUMWQHHRSA-N 446.297 3.414 0 1 IGAF COc1ccc(-c2nn([C@@H]3c4cc(F)cc(F)c4C[C@H]3O)c3c2CN(C(C)=O)CC3)cc1 206917420 QQBMHJXKWGLJNY-ISKFKSNPSA-N 439.462 3.248 0 1 IGAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Cl)cc(Br)c2[nH]1 586957841 DGQUAMBYEFNNGI-HNNXBMFYSA-N 430.711 3.448 0 1 IGAF COc1ccc(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4C)COC5=O)CC3)C2)cn1 1772634813 YUDJBUKYLRYXDU-QFIPXVFZSA-N 437.540 3.095 0 1 IGAF COc1ccc(C(=O)N2CC[C@H](CC(=O)O)[C@H](CCN(C)CCc3ccccn3)C2)cc1 2356380335 BDQQCCKUPDWVKU-NHCUHLMSSA-N 439.556 3.208 0 1 IGAF O=C(Cn1c(CO)nc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3477463 UUYQKYXIYHIEBZ-UHFFFAOYSA-N 434.418 3.023 0 3 IGAF COCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)[C@]2(C(=O)OC)CCCCC=C12 203464167 VQWUAXQGPRJINL-YADARESESA-N 434.577 3.185 0 3 IGAF COc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 768320 HLBFMEAUHNPHNU-RTWAWAEBSA-N 434.492 3.405 0 1 IGAF O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1c(F)cccc1Cl 4295750 DFWPLFRCNNLWHX-IMFGXOCKSA-N 429.879 3.356 0 1 IGAF COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CC4)CC(=O)N32)cc1OC 26772105 SPEXCWIRFBJNLI-NTKDMRAZSA-N 431.492 3.032 0 1 IGAF biogenic CCCCOP(=O)(OCCCC)OCN1C(=O)[C@H](CC(C)C)N(C)S1(=O)=O 27626422 YGEZXRHMFGPHCD-HNNXBMFYSA-N 428.488 3.136 0 1 IGAF CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 82198027 AHZPOZKPNDCNGW-TZYHBYERSA-N 440.540 3.376 0 1 IGAF CCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205027 SFYQPMBZUKOSBS-NRFANRHFSA-N 447.539 3.027 0 1 IGAF O=C(NC1CCCCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95797408 GNKRTYDHWLXGAO-SONWIMMPSA-N 433.552 3.367 0 1 IGAF CCC(=O)N1CC2(C1)CN(Cc1cccc(OC)c1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 95865565 MHGHPTUGNNKJHC-QFIPXVFZSA-N 449.551 3.224 0 1 IGAF Nc1cc(F)c(-c2ccccc2F)nc1C(=O)Cc1cnccc1[C@@H]1CC[C@H](O)[C@H](N)C1 96177707 JSYCNTCRDUWASY-DYHNYNMBSA-N 438.478 3.385 0 1 IGAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCCN1CCN(C)CC1 104267882 JIQISMJOZHSNGQ-RPWUZVMVSA-N 444.620 3.463 0 1 IGAF CCCOc1ccc(NC(=O)CCCNC(C)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1 166439706 JJKIALUMVOGKAK-UHFFFAOYSA-N 428.533 3.205 0 1 IGAF Cc1ccc(CNC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCCCCN2CCCC2)C32CC2)cc1 168293338 KHJDFOOBTYXRIC-UEQSERJNSA-N 435.612 3.432 0 1 IGAF COc1ccccc1[C@@H]1[C@H](S(C)(=O)=O)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 169696292 SUDGVLGETKIDTK-IRLDBZIGSA-N 439.489 3.334 0 1 IGAF CCc1ccc(-c2noc([C@H](C)Nc3ncc(F)c(N4C(=O)OC[C@H]4[C@@H](C)O)n3)n2)cc1 226101586 QWLOHBWGGKYBOB-OZVIIMIRSA-N 442.451 3.107 0 1 IGAF CCOc1n[nH]c(-c2nc3cc(I)cnc3[nH]2)c1Br 586979752 KOFYCTAZXDYHJL-UHFFFAOYSA-N 434.035 3.114 0 1 IGAF O=S(=O)(c1ccc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1)N1CCOCC1 587068506 UZXPNJRSKSFAFT-UHFFFAOYSA-N 443.916 3.294 0 1 IGAF O=S(=O)(c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1)N1CCOCC1 587098066 QNIXCWWNKQZISG-UHFFFAOYSA-N 429.395 3.409 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2nc(C3(C(=O)OC(C)C)CC(F)(F)C3)[nH]c2c1 587131647 QSMISYSBDQBBBW-UHFFFAOYSA-N 429.489 3.212 0 1 IGAF COC(=O)c1ccc2nc([C@@H](N)CCCNC(=O)OCc3ccccc3)[nH]c2c1OC 587259883 OAGBAJRUTAKINJ-INIZCTEOSA-N 426.473 3.065 0 1 IGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H]1CCCN1S(C)(=O)=O 587860394 VCGUBYZREFFCFG-HNNXBMFYSA-N 432.329 3.320 0 1 IGAF COc1ccc(OC)c(C(=O)C[C@@]2(C(F)(F)F)N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962906768 ZBURSZXSJYOKHN-MGPUTAFESA-N 441.377 3.472 0 1 IGAF CC(=O)[C@H](N)[C@]1(C)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963011728 HRQHXPCTGAXAQO-SFYKDHMMSA-N 439.899 3.105 0 1 IGAF CCCC[C@H](NC(=O)C(=O)CCCCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C 1772572911 BVTSAEBTMZEGOX-IBGZPJMESA-N 432.561 3.101 0 1 IGAF CCS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(-c2cn(C)c(=O)c3cncn23)c1 1772597416 KBXVKOKBQQLGIF-UHFFFAOYSA-N 427.457 3.425 0 1 IGAF CN1CCC(Cn2nc(-c3ccc4cc(OC5COC5)ccc4c3)c3c(N)ncnc32)CC1 1857535026 FBMBQQZLOHFUJY-UHFFFAOYSA-N 444.539 3.348 0 1 IGAF O=C(c1nccs1)N1CCN([C@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC1 1857761496 UXOSJKWFVIEECN-IBGZPJMESA-N 448.548 3.499 0 1 IGAF COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1 6577381 APRMCPURFBOJDX-UHFFFAOYSA-N 425.510 3.283 0 3 IGAF O=C(NCCOCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1c(F)cccc1Cl 4296558 NJKISMCSQQBBOR-HKUYNNGSSA-N 441.286 3.349 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@](C)(O)[C@@H]2O 15262597 BFELOFVXWJZJNF-YPWITFSZSA-N 432.469 3.093 0 1 IGAF biogenic Cc1cccc(Nc2ccncc2S(=O)(=O)N/C(=C/[N+](=O)[O-])NC2CCCCC2)c1 26980235 KMOZMAZZKUFBLF-XSFVSMFZSA-N 431.518 3.410 0 1 IGAF c1ccc(CCCNc2ncnc3nc(-c4ccc(N5CCOCC5)nc4)cnc23)cc1 28363858 ACYKCDNEHYDFTF-UHFFFAOYSA-N 427.512 3.363 0 1 IGAF COc1ccc(Cc2cc(C3CCN(C(=O)c4ccc5c(c4)OCO5)CC3)nc(=O)[nH]2)cc1 40848625 AEYUZJJPOBWLNN-UHFFFAOYSA-N 447.491 3.118 0 1 IGAF O=C(O)c1cccc(S(=O)(=O)Nc2ccc(F)c(-c3c(O)ccc4c3OCO4)c2)c1 45495802 UJIKQCUHPWANKS-UHFFFAOYSA-N 431.397 3.426 0 1 IGAF O=C(Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@H](c1ccccc1)CN2)c1ccccc1 82209953 MBSDXINUDSPWEC-NRFANRHFSA-N 438.487 3.326 0 1 IGAF COc1ccc(NC(=O)[C@H](C)Nc2nc3c(cnn3-c3ccccc3Cl)c(=O)[nH]2)cc1 95572356 NGJKWXIPEUHCJA-LBPRGKRZSA-N 438.875 3.210 0 1 IGAF CCOC(=O)[C@]1(C(=O)NCCc2ccc(F)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95597292 QCJXDDFKQKWSRI-MHECFPHRSA-N 445.487 3.247 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C)C[C@H]1C 95679227 FKUUEJXYVSQQBY-JLHGSKIFSA-N 431.577 3.251 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H](C)NC[C@H]1C 95687832 UZOQLJHIBIDYRE-MCFFVMPBSA-N 443.519 3.172 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccncc1 95893381 MEFQVJONHPYETN-BHDDXSALSA-N 432.455 3.242 0 1 IGAF Cc1nnc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3Cl)c(N)c1-2 103622995 NNYHBHQEDAAWTJ-UHFFFAOYSA-N 428.905 3.313 0 1 IGAF NS(=O)(=O)c1ccc(CCNc2nn3c(-c4cccc(Cl)c4)cnc3s2)cc1 117613751 SEBSAQYLADCYSF-UHFFFAOYSA-N 433.946 3.413 0 1 IGAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC[C@H](NS(=O)(=O)C2CC2)C1 142583021 FWJWVPBTYVDACG-JIAMPUNTSA-N 446.613 3.084 0 1 IGAF C[C@@]1(c2nc(NC(=O)c3ccc(Cl)cn3)ccc2F)C[C@@H](C(F)(F)F)OC(N)=N1 221071255 FWHRMLYVMNQBGS-ZBEGNZNMSA-N 431.777 3.403 0 1 IGAF COc1ncc(-c2n[nH]c3cc(NC(=O)N[C@@H]4CCCOc5ccccc54)ncc23)cn1 261182750 WKTXVGQKXXJCAH-MRXNPFEDSA-N 431.456 3.459 0 1 IGAF CN(C)S(=O)(=O)c1cccc2nc(C[C@@H]3Sc4ccc(Cl)cc4NC3=O)[nH]c12 587041686 DDPIWOWGAOZNGW-AWEZNQCLSA-N 436.946 3.122 0 1 IGAF COC(=O)[C@@H]1CC2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352548 OZSFLEMWXLTNHV-LMMKCTJWSA-N 428.412 3.001 0 1 IGAF Cc1n[nH]c(C)c1S(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587532117 LFLMUDHLQDHHJW-UHFFFAOYSA-N 429.542 3.094 0 1 IGAF O=C1Oc2ccccc2C(=O)[C@H]1[C@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 587563304 RAAJSLUHRCSADC-IEBWSBKVSA-N 427.416 3.180 0 1 IGAF COc1ccc([C@]2(CS(C)(=O)=O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587606041 FZXFMJDSHNZCOT-OFNKIYASSA-N 440.473 3.303 0 1 IGAF CCn1c(=O)c2c(c3ccccc31)OC(=O)C[C@@]21c2c(ccc(OC)c2OC)C[C@H](C)N1C 962625397 DWJMEXZQBWLDQH-QWXGXRTQSA-N 448.519 3.468 0 1 IGAF COCCN1CN([C@H]2CC[C@H](CNCC(F)(F)F)CC2)c2c(c[nH]c3nccc2-3)C1=O 1772610568 XJJZRJOVBWWSOA-SHTZXODSSA-N 439.482 3.091 0 1 IGAF CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(=O)[C@H]2[C@]3(C)C[C@]4(c5ccco5)C[C@@]3(CC[C@@]12C)C(=O)O4 2356662838 IQXUYSXCJCVVPA-YPNDFJEKSA-N 444.480 3.071 0 1 IGAF COc1ccc(NC(=O)[C@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)cc1F 13831776 VRVGTPHHMPYMON-JOCHJYFZSA-N 436.439 3.487 0 3 IGAF COc1ccc(CN2C(=O)c3ccnn3C[C@]2(C)c2nnnn2-c2c(C)cccc2C)cc1 203465776 WQLWBRJMDOVLTQ-XMMPIXPASA-N 443.511 3.056 0 3 IGAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](CO)Cc1ccccc1 790528 QKVSHBIJVMCUBX-PQCOVZBNSA-N 442.600 3.239 0 1 IGAF CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)OCCO2)n1nc(C)n2c(cc3occc32)c1=O 8965079 JHEOCIZDQBCZBN-CZUORRHYSA-N 436.468 3.150 0 1 IGAF Cn1nc(-c2ccc(F)cc2)c2c1CCN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)C2 14948962 YHOZNOCZDGPQFN-GOSISDBHSA-N 428.458 3.349 0 1 IGAF FC1CCCNCCN(Cc2ccc(CNCc3ccccn3)cc2)CCNCCC1 22451136 KCIMFODBVYVAJW-UHFFFAOYSA-N 427.612 3.265 0 1 IGAF CCN(CCCN(CC)c1nc(N)c2cc(OC)c(OC)cc2n1)C(=O)c1ccco1 26572765 HXGSEMYTIVRPIW-UHFFFAOYSA-N 427.505 3.201 0 1 IGAF CCOC(=O)CN1C(=O)N(CCCc2cncn2C)C(=O)[C@]1(C)c1cccc2ccccc12 28571983 DVKDXGDRDHMPRP-VWLOTQADSA-N 448.523 3.249 0 1 IGAF CCCCCCN[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 40846666 MUHQRFDXYSDWBJ-PUKUCHAGSA-N 426.601 3.495 0 1 IGAF COC(=O)[C@H](CCC(N)=O)NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43077013 HIGXFHCHNOSNNO-KOQPJMIYSA-N 449.551 3.240 0 1 IGAF O=C(NCc1ccc(F)cc1)N(c1ccc(Cl)cc1)C1CCN(C[C@@H](O)CO)CC1 49124668 DMGYGYNTXMBMRD-OAQYLSRUSA-N 435.927 3.013 0 1 IGAF CCc1cc(C[C@@H]2CS(=O)(=O)C[C@H](NCc3cccc(C(C)C)c3)[C@H]2O)ccc1O 71317094 BYTGAALBWBYPIF-GPXNEJASSA-N 431.598 3.184 0 1 IGAF NCCCNCCCNCCCN1C(=O)c2cccc3c(-c4ccccc4)ccc(c23)C1=O 84731979 LFTLPVNRNBRZHX-UHFFFAOYSA-N 444.579 3.411 0 1 IGAF CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccc(F)cc1)c1ccccc1O2 95596066 JXLJMOLARNXOID-UHFFFAOYSA-N 425.504 3.112 0 1 IGAF CC(C)(C)ONC(=O)C(=O)Nc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 103236727 WPZSXEOSHJOVKN-UHFFFAOYSA-N 427.545 3.304 0 1 IGAF NC(=O)c1cccc2c(NCc3cccc(NS(=O)(=O)c4ccccc4)c3)ncnc12 114346935 DUJXFWUVHKUVIY-UHFFFAOYSA-N 433.493 3.142 0 1 IGAF COC(=O)c1cnc(N2CCN(c3nnc(Nc4ccccc4)c(C)c3C)C[C@H]2C)cn1 117253802 NLJMCJNUWCYNEP-OAHLLOKOSA-N 433.516 3.129 0 1 IGAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)C(=O)C[C@@]4(O)[C@@H]3CC[C@@H]2C1 118926737 JIOXQMJNOROPDA-JGRBVGLISA-N 430.541 3.354 0 1 IGAF CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(OC)cc1)[C@H](N)CC2 142942313 RQRVBVNZUOPMLY-XZOQPEGZSA-N 432.586 3.003 0 1 IGAF COC/C=C/c1cc(OC)c(O[C@@H](CO)[C@@H](OC)c2cc(O)cc(OC)c2)c(OC)c1 199631598 HIENHJXRSIJBSM-UCJUAVMMSA-N 434.485 3.205 0 1 IGAF CC(C)(C)[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224728522 GDSOCWJRBURPKK-HXUWFJFHSA-N 444.532 3.217 0 1 IGAF COc1cc2c3c(c1)O[C@]1(C[C@H](C(=O)O)Oc4ccc(Br)cc41)[C@@H](C2)C3=O 587419165 SURUKRVPSNIXSX-OWZDWXTDSA-N 431.238 3.336 0 1 IGAF CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc2nc(O)nc(O)c2cc1CCCC1OCCO1 587558842 UOAGKKLQIHZIIR-OAHLLOKOSA-N 446.504 3.204 0 1 IGAF COc1cc([C@H]2NCCc3c2c(C(C)C)nn3C)ccc1OCC(=O)NC1CCCC1 962921988 POTOLIMXPBTMLX-XMMPIXPASA-N 426.561 3.225 0 1 IGAF Cc1onc(C(=O)O)c1COc1cccc([C@H]2NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963015524 BOYWNVKOGGJEGD-IVZQSRNASA-N 433.464 3.403 0 1 IGAF O=c1cc(NCCCN2CCN(c3nccc4ccc(F)cc34)CC2)c2c(o1)CCOC2 1857554485 VZYVBNMAUUYIHP-UHFFFAOYSA-N 438.503 3.024 0 1 IGAF N=c1[nH]cnc2c3c(n(-c4ccc(CC(=O)N5CCOc6ccccc65)cc4)c12)CCC3 1857569217 XJLUQCFUYLFALE-UHFFFAOYSA-N 425.492 3.290 0 1 IGAF O=C(O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](c1ccco1)c1nnnn1Cc1ccccc1 1857667918 BHNICAHUWBPVSL-RBBKRZOGSA-N 442.479 3.171 0 1 IGAF CN1CCN(c2ccc(Nc3ncc(Cl)c(=NCc4ccc(F)cc4)[nH]3)nc2)CC1 1911584736 MOYSDHLSIFKCBQ-UHFFFAOYSA-N 427.915 3.194 0 1 IGAF COc1ccc(C(=O)N2CC[C@@H](CC(=O)O)[C@H](Cc3nc4cccc(OC)c4[nH]3)C2)cc1 2356609133 OZLMMOIILTYSNS-DLBZAZTESA-N 437.496 3.376 0 1 IGAF CCCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 20181883 XIJXWHAHOHARKQ-UHFFFAOYSA-N 432.590 3.256 0 1 IGAF CCSCC[C@@H](N)[C@H](O)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(OC)cc2)cc1 26937419 UQEZUITZJSICPO-LVPJKPOLSA-N 443.569 3.117 0 1 IGAF C[C@H]1[C@@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c2c1Cl 28224254 MGBPVANPCHUGII-RTHLEPHNSA-N 437.805 3.295 0 1 IGAF Cc1cc(C)nc(CC(=O)Nc2ccc(CCNC[C@H](O)COc3ccccc3)cc2)c1 40876191 FQWZNIUMQVNSJJ-DEOSSOPVSA-N 433.552 3.452 0 1 IGAF Nc1ncc(-c2ccc(C(=O)NC[C@@H]3CCNC3)cc2)nc1Oc1ccc2cc[nH]c2c1 45287888 UIQYGXADJQWKAB-OAHLLOKOSA-N 428.496 3.339 0 1 IGAF COc1ccc2nc(C)cc(-n3cc(CN4CCN(C(=O)c5ccccc5)CC4)nn3)c2c1 71294437 RAJXTYIHDFOWNE-UHFFFAOYSA-N 442.523 3.091 0 1 IGAF 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Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](COc3ccc(F)cn3)SC[C@H]2C)c1 205187423 PYKRMGBCBZXQMO-NVXWUHKLSA-N 427.505 3.135 0 1 IGAF Cc1cccnc1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)cs1 205658559 JSSRFUWMHKOBOZ-IOASZLSFSA-N 430.509 3.016 0 1 IGAF Nc1nccc2nc(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)[nH]c12 586956641 QSNVAIMDORRXAI-UHFFFAOYSA-N 425.901 3.612 0 1 IGAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3cc(N)c(N)cc3F)[nH]c2c1 587136398 FKPKMTBTYSKPND-UHFFFAOYSA-N 427.461 3.343 0 1 IGAF COc1cc(N)c(I)cc1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 587181296 WTRGXGLOHQLNLV-UHFFFAOYSA-N 435.147 3.186 0 1 IGAF COc1cc2c3c(c1)O[C@@](C)(CC(=O)N(C(=O)CC(C)=O)c1ccccc1C)[C@@H](C2)C3=O 587430108 REJRBOMEEHEAQK-BVZFJXPGSA-N 435.476 3.439 0 1 IGAF CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437977 MMIGCNMFWHVUHE-SYJLOODJSA-N 431.485 3.002 0 1 IGAF CCOC(=O)c1nn(C)c2c1CCC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583402 VYJUNZJFWYRGMY-MHECFPHRSA-N 434.448 3.496 0 1 IGAF C[C@]1(CCOc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)CC[C@@H](N)CC1 1772620147 FKGBDYKCOHLSSI-OYHSWFHJSA-N 432.518 3.294 0 1 IGAF O=C1N=C(c2ccc(Cl)cc2)NC12CCN(S(=O)(=O)c1cccc(Cl)c1)CC2 1857641685 GEGLEECHGYFULX-UHFFFAOYSA-N 438.336 3.093 0 1 IGAF CCO[C@@]12C[C@H]3[C@@H](CC[C@H]4[C@]5(C(=O)OC)CCC[C@@]34[C@H](OC)OC5)[C@@H](C)C1=CC(=O)O2 1857743415 WEBYMNDFYQNFAA-NCHJLYIASA-N 434.529 3.217 0 1 IGAF O=C(Nc1ncccc1O)[C@H]1CN(Cc2ccc(-n3cccn3)cc2)c2ccccc2O1 1857752094 PYUIONJYLQRJKJ-JOCHJYFZSA-N 427.464 3.379 0 1 IGAF Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCCC[C@@H]4N)c4ncccc43)cc2)cn1 1857756236 ZCSWEONTMLIMPP-VXKWHMMOSA-N 428.540 3.485 0 1 IGAF COc1cc(CN2C[C@H](F)[C@@H](OCc3nc4ccc(F)cc4[nH]3)C2)cc(OC)c1OC 2356299697 MNNOVQHKSJIVMZ-YWZLYKJASA-N 433.455 3.467 0 1 IGAF CCN(CC)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(-n2cccn2)cc1 2356311830 JUTYZJNJCIJUSH-NNMXDRDESA-N 426.634 3.211 0 1 IGAF O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccccc1)N1CCOCC1 923512 VEBRRQAJENMFAB-UHFFFAOYSA-N 441.532 3.029 0 3 IGAF CCCCn1c(=O)n(Cc2ccccc2)c(=O)c2[nH]c(Cc3ccc(NC(C)=O)cc3)nc21 13553791 KKTOJTUZPIHMMS-UHFFFAOYSA-N 445.523 3.284 0 1 IGAF COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]21C 13607517 OBSYBRPAKCASQB-FBCTZMOOSA-N 432.469 3.000 0 1 IGAF in-vivo COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)NC(C)(C)C)CC1 13764462 YPJUOFYBENZLLE-UHFFFAOYSA-N 425.577 3.243 0 1 IGAF CS(=O)(=O)Nc1ccc(OCC(=O)NCCCNc2ccc(Cl)c(Cl)c2)cc1 45353135 MKWNWKZQPHCTJB-UHFFFAOYSA-N 446.356 3.362 0 1 IGAF COc1ccc(OC)c([C@H]2[C@@H](C(N)=O)C(C)=Nc3nc(-c4cccc(Cl)c4)nn32)c1 59566026 QOPCMQCBYTVVCW-ROUUACIJSA-N 425.876 3.413 0 1 IGAF CCCCO[C@H]1C[C@@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)c2ccco2)C1 82199413 PSMFLIKABBLIGO-PMACEKPBSA-N 444.528 3.056 0 1 IGAF COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1OC1CCOCC1 114017643 NVCSEQYZMJWNQJ-MRXNPFEDSA-N 449.507 3.378 0 1 IGAF COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1 212278484 ZASNKJDRXCQLFT-FCHUYYIVSA-N 435.524 3.213 0 1 IGAF O=C(O)C[C@@H](Cc1ccc(-c2cc(Cl)ccc2F)cc1)NC(=O)CCP(=O)(O)O 212477974 TWKJROJSAYIJLA-OAHLLOKOSA-N 443.795 3.216 0 1 IGAF Cn1ncc(NC(=O)c2csc(-c3ccccc3F)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 216889791 BHVNVQZCRDWTBP-CPUCHLNUSA-N 433.484 3.452 0 1 IGAF NC[C@@H](c1ccc(F)c(Cl)c1)N1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1 219316904 RZLQNDVONYRFCZ-IBGZPJMESA-N 444.917 3.479 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@H]2[C@@H](C)O)n1)c1noc(-c2ccc(Cl)cc2)n1 226127414 HQFBCUBMPLPKFP-WDMOLILDSA-N 430.852 3.059 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N4CC[C@@H](F)C4)c3F)C2)cc1 261081878 BVHZAOANXUYGSP-POZUXBRTSA-N 431.487 3.019 0 1 IGAF CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(C)(=O)=O)c4)cn23)cc1 473161074 ZQHZUCKLIIKKQX-UHFFFAOYSA-N 426.519 3.475 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3c(C)ccc(C)c3[nH]2)C(C)C)cc1 586932856 JYLZUCVTMZKILP-IBGZPJMESA-N 428.558 3.491 0 1 IGAF COc1ccc([C@@]2(COCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587794615 OYBGPUQHURWHEU-FKIZINRSSA-N 438.293 3.476 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@H]1C(=O)NCCCN1CCCC1=O 4153136 OSGHCYUHCSFEDY-LADGPHEKSA-N 435.524 3.306 0 1 IGAF O=C(O)[C@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1ccc(Br)cc1 13807305 ZMELRSSTECEKFZ-ZBFHGGJFSA-N 435.322 3.247 0 1 IGAF O=C(OCc1ccccc1)[C@H]1CC(=O)N1[C@@H](C(=O)NCc1ccccc1)c1ccccc1 28522152 HVVIMLFNXVLHDO-ISKFKSNPSA-N 428.488 3.388 0 1 IGAF O=C1CC[C@@](c2ccccn2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 40430471 KJOHICOVVWXUGM-QFIPXVFZSA-N 442.357 3.431 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OC)c(OC)c2)N(C(=O)c2ccco2)C1 82198840 IMMCMWGEBDRTHV-MOPGFXCFSA-N 444.528 3.056 0 1 IGAF Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)nn1C 95603674 AQXYJLWVDGQRBI-UHFFFAOYSA-N 431.456 3.164 0 1 IGAF COc1ccc(-c2nc3c(c(Nc4ccc(CC(=O)O)cc4)n2)S(=O)(=O)CCC3)cc1 103259168 KFKCPFHWMYZEKH-UHFFFAOYSA-N 439.493 3.243 0 1 IGAF CO[C@@H]1CCC[C@H](N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)C1 148453418 NYTYNQKRYNWVDX-GBESFXJTSA-N 430.570 3.375 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(OCC(F)(F)F)c(F)c1 221679122 BLTGWFIGQAUGPI-MISXGVKJSA-N 444.385 3.436 0 1 IGAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCCO1)[C@@H](c1ccc(I)cc1)C2 261156983 QCUDYJXEEDCQAN-YVSFHVDLSA-N 426.298 3.021 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccnc(O)c3[nH]2)c1 586930178 HEACYGVQPQKQFO-UHFFFAOYSA-N 429.546 3.351 0 1 IGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(C(F)(F)F)cnc2[nH]1 587120612 BELGGYGYDOTAKI-UHFFFAOYSA-N 430.312 3.401 0 1 IGAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587232298 WEWQUIHKPMLVEJ-UHFFFAOYSA-N 436.846 3.442 0 1 IGAF CCOC(=O)C[C@@]1(CNC(=O)OCc2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587428205 IJUJRSJVSOUVSS-KOSHJBKYSA-N 439.464 3.061 0 1 IGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@@H]3CCOC[C@@H]3C)c2cn1)c1ccccc1 1772586717 JYSNHMORORUHFY-GDIGMMSISA-N 425.489 3.271 0 1 IGAF COc1ccc(OC2CCN(c3nc4c(nc3NC(C)C)CN(C)CC4)CC2)c(F)c1 1772611102 DFMRQAQETRMYOT-UHFFFAOYSA-N 429.540 3.480 0 1 IGAF COc1ccc(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)NCCN(C)C)C[C@@H]2C(C)C)cc1 2356302203 OIEWQGAYPLQHQQ-QNWVGRARSA-N 429.605 3.348 0 1 IGAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1C[C@@H](O)[C@H]1[C@@H](C)C(=CC(=O)OCCN(C)C)CC[C@H]12 2356413521 ZYHLLGTZEZUWFJ-ROAXIADISA-N 435.605 3.430 0 1 IGAF CC1=CCCc2cc(O)cc(c2)NC(=O)C[C@H](O)C=CC=CC=CC[C@H](O)[C@H](C)[C@H]1O 2356794096 KXWDPYXMNSFEBO-XDCBZQCGSA-N 427.541 3.391 0 1 IGAF COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@H](Nc4nccc(-c5ccccc5)n4)CO[C@@H]23)cc1 2356814573 CJCAPSWAICCIRV-YSFYHYPLSA-N 448.479 3.348 0 1 IGAF CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)NCc1ccccc1 15953058 MGNYKGQOHCNHDT-IBGZPJMESA-N 448.523 3.023 0 3 IGAF Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NC(=O)c1[nH]cnc1C(N)=O 36388607 SOXWFUFODIFODE-UHFFFAOYSA-N 431.374 3.340 0 3 IGAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CCN1C(=O)C1CCCCC1 61927261 GXBVRQIYIABVKG-GOSISDBHSA-N 432.464 3.082 0 3 IGAF COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(OC)cc2OC)cc1 1795551 ZOFFNDGMQVFDHY-YADHBBJMSA-N 449.459 3.457 0 1 IGAF CC(=O)NCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccc(F)cc1 82141652 RDDKJCALGMQGEJ-UHFFFAOYSA-N 435.503 3.112 0 1 IGAF C=Cn1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(N3CCC(CO)CC3)nc21 84729008 PEQXIHFKWMSQFO-UHFFFAOYSA-N 426.461 3.127 0 1 IGAF O=c1c(O)c(-c2ccc(O)c(Cc3cccc(O)c3)c2)oc2cc(O)cc(OCCO)c12 85569426 BNPIYPNFRULNBS-UHFFFAOYSA-N 436.416 3.244 0 1 IGAF biogenic,in-vitro COc1ccc(CN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c2ccc(F)cc2)cc1F 95557547 YAPBGALRISDYBA-GOSISDBHSA-N 426.485 3.064 0 1 IGAF CCCN1C(=O)CC2(CCN(CC3CCN(C(=O)OCC)CC3)CC2)c2cccnc21 96913566 AATNRUXRJQIOEV-UHFFFAOYSA-N 428.577 3.430 0 1 IGAF CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(F)c(F)c1 101129458 PJBCNDYSDXMUJE-OAHLLOKOSA-N 429.423 3.275 0 1 IGAF NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cnn(Cc4ccccc4)c3)sc12 136872725 GELAGPPHKOHLGO-KRWDZBQOSA-N 432.553 3.471 0 1 IGAF CCOC(=O)N1CCN(c2cc(-c3n[nH]c4cc(F)c(OC(C)C)cc34)ncn2)CC1 225565402 IBHUCGVCFZZMQP-UHFFFAOYSA-N 428.468 3.225 0 1 IGAF CS(=O)(=O)c1ccc(C(=O)CCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 586925487 FYFRHWLPTCHFMR-UHFFFAOYSA-N 432.811 3.196 0 1 IGAF Nc1ncnc2[nH]c(-c3ccc(Cl)c(S(=O)(=O)N4CCc5ccccc54)c3)nc12 586956439 KHYLATHWYCULND-UHFFFAOYSA-N 426.889 3.007 0 1 IGAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587037978 BMVXQRNJSGXEOW-UHFFFAOYSA-N 440.489 3.488 0 1 IGAF NC(=O)c1cccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c12 587156888 AKXVVVJTHNENEB-UHFFFAOYSA-N 430.237 3.399 0 1 IGAF N[C@H](Cc1ccc(I)cc1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587183281 CBBISQVTUVRHOB-GFCCVEGCSA-N 425.201 3.247 0 1 IGAF CNC(=O)COc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587582013 YHOYOMWKVKQVKI-URXFXBBRSA-N 435.432 3.229 0 1 IGAF COc1ccc(-c2ccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c(O)c2)cc1OC 587926403 GVBVZUTUDAWMCN-UHFFFAOYSA-N 425.466 3.267 0 1 IGAF CC[C@]1(c2c[nH]c(C(=O)N3CCOCC3)c2)c2cc(OC)c(OC)cc2C[C@@H](C)N1C 962626844 NFIJVMHKILLUBS-GYCJOSAFSA-N 427.545 3.034 0 1 IGAF Cc1c(O)cc2c(c1O)C(=O)c1ccccc1[C@@]21NC[C@H]2CC(=O)N(C)c3cccc1c32 963036248 WZHWULRSIVTFSB-PTFIGZPYSA-N 426.472 3.296 0 1 IGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@H](C)O)cc21 1857589907 KTPYOTKTDCLZHR-SFHVURJKSA-N 429.520 3.451 0 1 IGAF COc1ccc(OC)c(CCn2cnc3sc4c(c3c2=O)CCN(C(=O)C2CC2)C4)c1 1857595979 CBJLMMZJKTZZCR-UHFFFAOYSA-N 439.537 3.013 0 1 IGAF N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCN(Cc2c[nH]c3ccc(F)cc23)CC1 1857629409 CUYKLEIVPGBEPF-QFIPXVFZSA-N 433.531 3.439 0 1 IGAF Cc1cc2c(c([C@@H]3c4c(ccc(O)c4C=O)C[C@@H]3C(C)(C)O)c1)O[C@@H](C(C)(C)O)CO2 2356326215 VKNKNPXXDILXOC-WEYGHZABSA-N 426.509 3.499 0 1 IGAF FC(F)(F)c1ccc2c(c1)nnn2C1CCN(Cc2nnnn2Cc2ccccc2)CC1 6551688 ULFCKZVHNLJQOA-UHFFFAOYSA-N 442.449 3.322 0 3 IGAF COC(=O)c1ccc([C@@H]2[C@@H](C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2Cc2ccco2)cc1 1819365 YDXVOOHFHOQPKZ-LEWJYISDSA-N 447.443 3.227 0 1 IGAF CCCCOc1ncc(C(C)=O)cc1-c1nc(O)c2nn(C3CN(CC)C3)c(CC)c2n1 14955538 INLBUQIADGPECI-UHFFFAOYSA-N 438.532 3.414 0 1 IGAF O=S(=O)(NN1C(=S)S[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@H]1O)c1ccccc1 28569048 SLTXEPXZNKTMAJ-LSDHHAIUSA-N 449.406 3.450 0 1 IGAF COC(=O)CCCN1CCC(CN2CCC(Oc3ccc(CO)c(Cl)c3)CC2)CC1 29132902 PEGDQHRHFLHPBP-UHFFFAOYSA-N 438.996 3.341 0 1 IGAF COc1ccc2c(c1)CC(=O)N(CCCN(C)CCc1ccc(OC)c(OC)c1)CC2 29314093 CMLIVEXWOXKDBN-UHFFFAOYSA-N 426.557 3.204 0 1 IGAF COc1cc(OC)cc(-n2c(=O)n(Cc3ccccc3OC)c3cnc(NC4CC4)nc32)c1 34983632 RRWHVBZACLTBHL-UHFFFAOYSA-N 447.495 3.231 0 1 IGAF O=C(C[C@H]1NCC[C@@H]1OCc1ccccc1)Cn1cnc2cccc(C(F)(F)F)c2c1=O 43076455 HELCEBLXFMVAFM-UXHICEINSA-N 445.441 3.322 0 1 IGAF CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 82198197 QLZNAPVASQEFDK-WDJPJFJCSA-N 438.568 3.179 0 1 IGAF O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 95677107 CMUIIZXJLAYAHO-UFYCRDLUSA-N 437.968 3.457 0 1 IGAF O=S(=O)(N[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1)c1ccc2ccccc2c1 95783834 QZBJAFAFPGBNLZ-JOCHJYFZSA-N 440.565 3.154 0 1 IGAF CCCN(CCC)c1ccc(C(=O)N2CCc3ccc(OS(N)(=O)=O)cc3C2)cc1 103301381 LNOMPFJGEGUDIQ-UHFFFAOYSA-N 431.558 3.094 0 1 IGAF C[C@H](O)[C@H](CO)NC(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 169710621 LCZKLTOXAQBCMQ-JVPBZIDWSA-N 440.521 3.473 0 1 IGAF Cc1cc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)n[nH]1 205653883 YBJZYCHFCAPNIH-UHFFFAOYSA-N 441.499 3.372 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cnc4nc[nH]c4c3)c2)c2cncnc21 221758446 QFCIZHZGVTYNRS-UHFFFAOYSA-N 426.440 3.162 0 1 IGAF CCCCNc1ncc(-c2ccc(N3CCN(C)CC3)cn2)c(N[C@H]2CC[C@H](O)CC2)n1 261190147 YVAPXKWBCBCTDS-KESTWPANSA-N 439.608 3.218 0 1 IGAF O=C(NCCCCN1CCN(c2ccc3ccccc3n2)CC1)c1cn2ccccc2n1 299824774 BWWHZGYOJOBIMA-UHFFFAOYSA-N 428.540 3.215 0 1 IGAF Nc1cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2cn1 587172734 KSCPTTBWRPTLIN-CYBMUJFWSA-N 447.518 3.314 0 1 IGAF CC(C)Cn1[nH]c(CC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1=O 587658196 KUZBUSFWUMTWKP-UHFFFAOYSA-N 438.434 3.370 0 1 IGAF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(c1cccnc1)c1ccccn1 963141744 KMUSYOWLUWCXHQ-OPAMFIHVSA-N 438.509 3.471 0 1 IGAF Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2)n2cncc2c1=O 1857545826 UQEBPMUFQMIBSC-UHFFFAOYSA-N 428.445 3.003 0 1 IGAF Cc1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)n2cc[nH]c(=O)c12 1857572732 AAENFZKMGPEDRU-UHFFFAOYSA-N 446.435 3.440 0 1 IGAF CC(C)Cc1n[nH]c2nc(N[C@H]3CC[C@@H](NS(=O)(=O)Cc4ccccc4)CC3)ncc12 1857588011 UQAWPRITVQCMDD-HDICACEKSA-N 442.589 3.394 0 1 IGAF COc1c2c(cc3c1OCO3)[C@]13C=C[C@H](OC)C[C@@H]1N(C2)C[C@H]3OC(=O)c1ccccc1C 1911577893 HWSORANVUWOHGI-ZCDUZLAESA-N 449.503 3.368 0 1 IGAF CCN1CCN(c2ncnc3sc(C(=O)NCc4ccccc4OC)c(C)c23)CC1 9742567 UCXJUPXJPNCIGJ-UHFFFAOYSA-N 425.558 3.080 0 1 IGAF Cn1cccc1C(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(Cl)cc4)ccc3NC(=O)[C@@H]12 25176343 POZDUISMBVYTNO-PZJWPPBQSA-N 448.910 3.311 0 1 IGAF biogenic Cc1ccc(NC(=O)[C@H](CC2CCCC2)n2ccc(S(=O)(=O)C3CC3)cc2=O)nc1 71281768 MVULCJLELFVNQE-IBGZPJMESA-N 429.542 3.248 0 1 IGAF O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4OCCC5)CC3)nc2N1 71329713 NRFJXDLMBKNOHP-UHFFFAOYSA-N 436.556 3.273 0 1 IGAF COc1ccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@H](C(C)C)N3)cc1 82224290 RPIQLSNLBUYHAZ-HXUWFJFHSA-N 438.503 3.268 0 1 IGAF O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 95795302 FCIZOZRMZMLHQR-OASJLCFRSA-N 444.506 3.233 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(Cc2cc(-c3ccccc3)on2)C1 95864583 HTYMVBFWHRFNHK-NRFANRHFSA-N 444.535 3.232 0 1 IGAF O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NCc1ccccc1 101011469 XYWFJCQYELUANV-UHFFFAOYSA-N 446.488 3.012 0 1 IGAF NC(=O)c1ccc(NC(=O)COC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)cc1 102203649 FRBIPRCSMRNDPZ-SUXCYGLUSA-N 449.345 3.391 0 1 IGAF COCC[C@@H](Oc1nc(-c2ccc(OC)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1 141921995 OFXAGCGBWBJSDR-OXQOHEQNSA-N 437.496 3.234 0 1 IGAF COc1cc(Nc2cc(F)c(S(=O)(=O)NC[C@@H]3CCCO3)cc2F)cc(OC)c1 145132674 PFWAVSAKXJNAAS-ZDUSSCGKSA-N 428.457 3.183 0 1 IGAF COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc([C@H]2CSC([C@]3(C)CO3)=N2)n1)OC 238751481 ZJXYLBWVBXQTFS-IFLQYQSYSA-N 438.571 3.486 0 1 IGAF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1S(N)(=O)=O 587839630 HUWMXTZQDFSVJJ-ZMZPIMSZSA-N 427.339 3.342 0 1 IGAF Cc1cc2c(-c3nn[nH]n3)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)CNCC2 653799612 QYBPGHMDCTUFOJ-UHFFFAOYSA-N 437.511 3.167 0 1 IGAF CCOC(=O)C[C@H](C[C@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21)C(=O)OCC 962759107 AOWXSVNOYXQTEU-KKVAFCGZSA-N 429.435 3.070 0 1 IGAF O=c1ccnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccccc4F)c3)cn12 1857775092 CMTGOLNCQIYSTQ-UHFFFAOYSA-N 430.848 3.350 0 1 IGAF CN(C)C(=O)Oc1cccc([C@H](O)CNc2ccc(I)cc2)c1 1911577849 DUQTVNWXXRLIQS-MRXNPFEDSA-N 426.254 3.497 0 1 IGAF Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)NS(=O)(=O)c2ccc(Cl)s2)c1 61903867 OFQLFSIQHRSORX-IBGZPJMESA-N 440.974 3.057 0 3 IGAF CN1CCN(c2nc(NCCc3ccc(O)cc3)nc(N[C@@H]3CCc4ccccc43)n2)CC1 13492558 MAUFRWSTBICIPT-JOCHJYFZSA-N 445.571 3.083 0 1 IGAF O=C1c2cc3c(cc2OCN1CCc1cccc(Br)c1)C(=O)N1CCC[C@@H]1O3 72171753 OYRWNJIYINZXDD-IBGZPJMESA-N 443.297 3.438 0 1 IGAF Cc1cnc(NC(=O)c2cc(Oc3ccc(C(=O)N(C)C)cc3)c3cn(C)nc3c2)cn1 95563803 VFNOJEBCZRXYMG-UHFFFAOYSA-N 430.468 3.418 0 1 IGAF O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 95795526 IKXDXEPDXROJHG-WMTXJRDZSA-N 437.515 3.116 0 1 IGAF CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1 95879908 IPTGCJZVUZYHOP-VLYJIQRVSA-N 447.579 3.058 0 1 IGAF N[C@H](C(=O)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1)[C@@H]1CSCN1 96167855 ZZODLYKNUUKPLE-ZCNNSNEGSA-N 447.497 3.276 0 1 IGAF Cc1cnc(OC[C@H]2CN(C(=O)c3ccccc3-n3nccn3)[C@H](C)CS2)nc1Cl 207400174 CUQIZMJRMJJSEL-HUUCEWRRSA-N 444.948 3.044 0 1 IGAF O=c1nc(OC[C@@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3cccnc3)ccc1-2 219976337 MUTOCOHBCBIPTK-LJQANCHMSA-N 440.459 3.142 0 1 IGAF COc1c(OC(C)=O)cc2occ(-c3ccc(OC(C)=O)cc3)c(=O)c2c1OC(C)=O 238749067 GVUMJVGJKBJADS-UHFFFAOYSA-N 426.377 3.245 0 1 IGAF CS(=O)(=O)C[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587360129 LSKULYOJAMRCGZ-RBBKRZOGSA-N 427.453 3.225 0 1 IGAF O=C(COc1ccc(O)cc1)N[C@H]1CC[C@H](NC(=O)COc2ccc(Cl)cc2)CC1 621431590 QLKDSYYHIUTKHX-QAQDUYKDSA-N 432.904 3.047 0 1 IGAF O=C(/C=C/c1ccc2c(c1)OCO2)NCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 653887028 YHXONMBXUIJTBF-OXABIGBOSA-N 449.595 3.440 0 1 IGAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3ccccc3OCC3OCCO3)N12 962676072 XOBWXCIOGGTWQV-DHLKQENFSA-N 434.492 3.175 0 1 IGAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@H](O)C[C@H]2NCc2ccc(OC(F)(F)F)cc2)n1 2356318312 FJHNAXSEXKQXDU-MTQWCTHYSA-N 439.478 3.189 0 1 IGAF CC1(C)OC(=O)C=C[C@]2(C)[C@@H]1CC[C@@]13C[C@]4(C)C[C@@H]5C(=O)OC[C@]5(O1)[C@@](C)(C[C@@H]32)C4=O 2356417289 WZMMXZUZVLVJHO-AZRPRZEASA-N 428.525 3.371 0 1 IGAF COc1ccc(CNC(=O)[C@H](C)[C@@H]2CC[C@]3(C)CC[C@H](NC(C)=O)[C@H](C)[C@H]3[C@H]2O)cc1 2356697094 JBONPCQPFDEEKF-QOKCHKELSA-N 430.589 3.276 0 1 IGAF CSCC[C@@H](c1nnnn1C(C)(C)C)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 95599184 PNWCKQBWACVCQN-SFHVURJKSA-N 429.594 3.202 0 3 IGAF O=C(c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)N1CCN(c2ccccc2F)CC1 9490081 DPPCDERPQRCHKO-TXKCWOHGSA-N 445.494 3.100 0 1 IGAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc21 13178779 TYWHEEMWRPBBJX-CMDGGOBGSA-N 449.482 3.221 0 1 IGAF CONC(=O)c1cc(Nc2ncnn3cc(-c4n[nH]c(C)n4)c(C(C)C)c23)c(F)cc1F 13645306 KPPYNHRMNFKBRA-UHFFFAOYSA-N 442.430 3.259 0 1 IGAF O=C(N[C@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]2C1)c1ccncc1 25200855 FKWOPHFBLYLGKI-FXAWDEMLSA-N 432.505 3.165 0 1 IGAF biogenic COc1ccc([C@H]2C(C(=O)N3CCOCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@H]32)c(OC)c1 35111070 ZTOHLOBXUGOMDN-GOTSBHOMSA-N 440.540 3.380 0 1 IGAF CCCN(CCN1CCN(c2ccccc2OC)CC1)[C@@H]1CCc2nc(N)sc2C1 40879448 WIZIUHWXARABLD-GOSISDBHSA-N 429.634 3.125 0 1 IGAF in-vivo C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1 40913803 WDBMBYAFMOKUJU-NRFANRHFSA-N 436.445 3.244 0 1 IGAF COc1ccc(N(CC(=O)N(C)C)C(C)=O)c2sc(NC(=O)c3ccc(F)cc3)nc12 53276439 QONQGZZBFPEGKF-UHFFFAOYSA-N 444.488 3.137 0 1 IGAF COc1nc2c(cc1NCc1ccccc1F)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C 66112093 BNJTUVZJFRQVRU-GOSISDBHSA-N 429.448 3.044 0 1 IGAF COc1cc(OC)cc(-c2nc(C(=O)N(C)CC(=O)OCCc3ccccn3)cs2)c1 82085812 QJRWGDLRBIPCCB-UHFFFAOYSA-N 441.509 3.080 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(C)C[C@H]1C 95679233 FKUUEJXYVSQQBY-DRSNIGMVSA-N 431.577 3.251 0 1 IGAF CCOC(=O)[C@H](CCc1ccccc1)O[C@@H](C)C(=O)N1[C@H]2CCCC[C@H]2C[C@@H]1C(=O)O 169367602 YEXQQQZDCCDPJD-BWUHRYBWSA-N 431.529 3.200 0 1 IGAF Cc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)c(-n2nccn2)n1 225886813 VNVKHTSBNSOHFL-WMLDXEAASA-N 445.449 3.490 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)(CCCc4ccccc4)C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 253632540 HIHIEFXWVUQDNZ-OVGAWJJASA-N 449.591 3.337 0 1 IGAF CC1=C2[C@H](CC[C@]13O[C@@H]1C[C@H](C)CN[C@H]1[C@H]3C)[C@@H]1CC(=O)[C@H]3C[C@@H](O)CC[C@]3(C)[C@@H]1[C@H]2O 255248884 NURPXYQPDMVKOY-SQHLHEIWSA-N 443.628 3.232 0 1 IGAF CN1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCCO1)[C@H](c1ccc(I)cc1)C2 261156977 QCUDYJXEEDCQAN-QAETUUGQSA-N 426.298 3.021 0 1 IGAF O=C1NCC[C@@]12CCCN(c1c(Cl)cncc1-c1ccc(N3CCOCC3)cc1)C2 299871755 ZEDOLFLTHODSLP-HSZRJFAPSA-N 426.948 3.345 0 1 IGAF Cc1c(Br)ccc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c12 587226665 DUFUMPDJOOUTCV-UHFFFAOYSA-N 431.290 3.176 0 1 IGAF COC(=O)c1ccc2nc([C@]3(NC(=O)OC(C)(C)C)[C@H]4CCCO[C@@H]4C3(C)C)[nH]c2n1 587239646 MOQYVGOUOXLCCF-FIKRCHLTSA-N 430.505 3.300 0 1 IGAF CCOC(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OCC)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437762 JRJDQGRJQCOVMR-VOIUYBSRSA-N 441.480 3.413 0 1 IGAF O=C1C[C@@H](c2ccccc2S(=O)(=O)N2CCOCC2)Oc2c1ccc1c2CCCC1 587532862 PKTNGYJYJULYGG-NRFANRHFSA-N 427.522 3.293 0 1 IGAF Cc1n[nH]c(C)c1Oc1c(O)cc(O)c2c(=O)cc(-c3ccc(N4CCNCC4)cc3)oc12 1857567089 ULAWEOWOXLQMRH-UHFFFAOYSA-N 448.479 3.413 0 1 IGAF CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@@H]1c1ccc(F)c(Cl)c1 61958793 OPQMSYQMOPLNGB-QGZVFWFLSA-N 428.869 3.253 0 3 IGAF CN(Cc1cn(Cc2ccccc2)nn1)S(=O)(=O)c1ccc(F)cc1Br 96019370 DQBVSMVHGJYVLS-UHFFFAOYSA-N 439.310 3.049 0 3 IGAF CCCCC(=O)OCC(=O)N1N/C(=C2\C=Nc3ccccc32)[C@@H](O)[C@@H]1c1ccc(OC)cc1 104000515 SKIUKZGOEWVJID-USVSJGRXSA-N 449.507 3.305 0 3 IGAF CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c1 769938 CRLKSFBBOAJOAB-JTHBVZDNSA-N 439.556 3.378 0 1 IGAF COc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccccc3F)N[C@@](CC(C)C)(C(=O)O)[C@@H]2C1=O 9598153 LIFXIPQMDMQOBN-AZXNSQLWSA-N 440.471 3.154 0 1 IGAF NC(=O)Nc1cccc(-c2cccc(S(=O)(=O)N[C@H](CC(=O)O)c3ccccc3)c2)c1 13436799 HRQRCBHBVPQEDS-HXUWFJFHSA-N 439.493 3.339 0 1 IGAF N[C@@H](C(=O)N1CCC[C@H]1C(=O)NCc1cccc(O)c1)C(c1ccccc1)c1ccccc1 13779055 JSMLVEIFZKFEAG-UKILVPOCSA-N 443.547 3.159 0 1 IGAF Cc1ccc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4C[C@@H](C)N[C@H](C)C4)cc32)c(F)c1 26753259 CXSFFUFHKWSZFZ-ZIAGYGMSSA-N 427.451 3.462 0 1 IGAF CN(C[C@@](C)(CCN1CC[C@@H]2NCC[C@@H]2C1)c1ccccc1)S(=O)(=O)c1ccccc1 28133081 BGPCWZSXSNZJJJ-IEZKXTBUSA-N 441.641 3.339 0 1 IGAF O=C1CC2(CCCC2)CC(=O)N1OCCN1CCN(c2nsc3ccccc23)CC1 53050140 HYIUAGVTCHMUNW-UHFFFAOYSA-N 428.558 3.059 0 1 IGAF CS(=O)(=O)N(CCO)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 72181146 RIEBONGMTZXFMR-UHFFFAOYSA-N 444.561 3.224 0 1 IGAF O=C(NC1(C(=O)O)CCCCC1)c1cc2c(n(C[C@@H]3CCCO3)c1=O)CCCCCC2 84596804 CEPMZWNMDKHVSU-SFHVURJKSA-N 430.545 3.204 0 1 IGAF COC(=O)CNc1c(C(=O)NCc2ccc(F)cc2)nc(Br)c2cccnc12 95575758 FISFTEPLQAUIFI-UHFFFAOYSA-N 447.264 3.046 0 1 IGAF CC(C)N(C)C[C@@H](O)CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1nn(C(C)C)c3ccccc13)C2 101514807 BGFSEKYXUQKOMR-PLACYPQZSA-N 441.620 3.044 0 1 IGAF Cc1c(C(=O)Nc2ccccc2)[n+]([O-])c2cc(CNC/C=C/c3ccccc3)ccc2[n+]1[O-] 102787318 DNVBIRPVKKFVIL-DHZHZOJOSA-N 440.503 3.470 0 1 IGAF C[C@H]1CN(S(=O)(=O)c2cc(C(=O)N[C@H](C)c3cccnc3)ccc2Cl)C[C@H](C)O1 103256220 VBMZLGHFHZMPKW-SOUVJXGZSA-N 437.949 3.024 0 1 IGAF NC[C@H](c1ccc(Cl)c(F)c1)n1ccc(-c2ccnc(NC3CCOCC3)n2)cc1=O 144906686 BWBSCXSGOGYALU-HXUWFJFHSA-N 443.910 3.237 0 1 IGAF CO[C@@]12C=C[C@]3([C@@H]4[C@@H]1CC[C@]4(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 169692701 HEBLYOJAZBWIJZ-YCUBYUSXSA-N 435.564 3.164 0 1 IGAF CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cc1 205114255 RXTVOYCMZPRFRY-UHFFFAOYSA-N 448.548 3.067 0 1 IGAF Cn1cc(NC(=O)c2csc3ncc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C(F)(F)F)n1 473171796 VROISVCBZLCKGS-WDEREUQCSA-N 439.467 3.378 0 1 IGAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)cc2F)c1 587144424 WWBGCSVPLPMDBV-UHFFFAOYSA-N 441.440 3.390 0 1 IGAF COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4cc(Br)ccc41)[C@@H](C2)C3=O 587417440 KNHCOTCUNQKJLN-RNODOKPDSA-N 429.222 3.462 0 1 IGAF CCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O[C@H](C)C(=O)N(C)C 587427374 DHDMQDAWZUIPFU-QHXAMGISSA-N 425.481 3.438 0 1 IGAF CCOC(=O)C(=O)C[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587774719 WZKANRVIMZDCRX-ODXCJYRJSA-N 435.293 3.283 0 1 IGAF CCCCN1C(=O)[C@H]([C@]2(C)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)C(=O)c2ccccc21 963509572 OFXCVMRSAJXXNX-NXQMDHLFSA-N 436.508 3.161 0 1 IGAF Cc1cncc(C(=O)Nc2nc(CN3CCC(C(=O)NC4CCCC4)CC3)cs2)c1 1772575326 SPGQKEPICMIXAR-UHFFFAOYSA-N 427.574 3.370 0 1 IGAF COc1ncc(N2CCc3ncnc(-c4ccnc(NC5CCN(C)CC5)c4)c3C2)cc1C 1857554434 MGGGINLIPISYAS-UHFFFAOYSA-N 445.571 3.319 0 1 IGAF COCCc1cn(-c2cccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)c2)nn1 1857581342 KNIHWOLESUCUFB-UHFFFAOYSA-N 426.420 3.276 0 1 IGAF CCO[C@@H]1OC(=O)C=C1[C@]1(OCC)C[C@]2(C)[C@H](C)C[C@@H]3OC(=O)C4=CCC[C@]2(O1)[C@@]43C 2356626696 GLYCHOIOWACMHC-LZDXQSTMSA-N 432.513 3.422 0 1 IGAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@H](NC2CCC(F)(F)CC2)C[C@H]1O 2356684109 LUMKPIFDYKDERC-FMWKFLBASA-N 435.490 3.351 0 1 IGAF COc1ccc(NC(=O)NC[C@@H]2O[C@@H](Cc3cc(-c4ccccn4)on3)CC[C@@H]2O)cc1 2356770093 WZNFJEVXUVPURO-CBQOVEMMSA-N 438.484 3.018 0 1 IGAF CCOC(=O)C1=C(c2ccccc2)Nc2nnnn2[C@H]1c1ccc(Br)cc1 950990 IAGOHWZLUKLLKD-KRWDZBQOSA-N 426.274 3.425 0 1 IGAF COC(=O)/N=c1\[nH]c2ccc(NC(=O)c3ccc(I)cc3)cc2[nH]1 1663043 GIBBXVFAQVGNHF-UHFFFAOYSA-N 436.209 3.020 0 1 IGAF Cc1cnc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)/C=C/c2cccs2)C3)cn1 11913012 WFGZFSNQSOBQRC-AATRIKPKSA-N 433.537 3.078 0 1 IGAF C[C@H](NC(=O)[C@@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)c1ccccc1 15954463 AFZQGJCVAKLESL-RVFQGNMQSA-N 430.508 3.469 0 1 IGAF biogenic COc1cc([C@@H]2CC(c3cccc(Br)c3)=NN2C(=O)CO)cc(OC)c1OC 64373138 VUFJWXNMVIRIAR-INIZCTEOSA-N 449.301 3.145 0 1 IGAF CCc1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OC[C@@H]2CCCN2C)cs1 82071852 VZEBYHVCVVCANJ-PKOBYXMFSA-N 447.626 3.375 0 1 IGAF CC1(C)C[C@@H](NC(=O)NCc2ccc(NS(C)(=O)=O)c(F)c2)c2cc(F)ccc2O1 169704438 SQBRPNUKWCMDAM-QGZVFWFLSA-N 439.484 3.438 0 1 IGAF CCOCCN1CCN([C@@H](CN2CCC(N3CCCCC3)CC2)c2ccccc2)CC1 198331853 RVRCAYOXPHBNOJ-SANMLTNESA-N 428.665 3.332 0 1 IGAF O=C(O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5)c1ccc(Cl)cc1 198567938 YRLSLSHHXCGENS-FNAHDJPLSA-N 425.868 3.267 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(N)c(N)cc3[nH]2)c1 586930681 PCBMKQQYVKEUHU-UHFFFAOYSA-N 442.589 3.415 0 1 IGAF COC(=O)C(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336170 JIBMPLRHRBEGJJ-ZJSXRUAMSA-N 435.407 3.313 0 1 IGAF CCOC(=O)C1(C(=O)OCC)CC2(C1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587798461 OLRUTWPPJMRZCU-NSHDSACASA-N 428.298 3.224 0 1 IGAF COC(=O)[C@@H]1CC[C@@]2(C[C@H]1C(=O)OC)N[C@H](C)Cc1cc(Br)c(F)cc12 587809406 RHPKMKWXJKHLOC-UECKCYCWSA-N 428.298 3.080 0 1 IGAF Cc1cc(C)c2nc(N3CCOCC3)c([C@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)cc2c1 963549147 JCEGAKGOMVGAQA-GBXCKJPGSA-N 447.535 3.391 0 1 IGAF CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(=O)N4CCCC4)cc3)c(F)c2)C(=O)O1 1239895881 OIZVSRTWYJVXLX-IBGZPJMESA-N 425.460 3.190 0 1 IGAF C[C@@H]1CN(C(=O)c2ccccc2-n2nccn2)[C@H](Cc2cccc(-c3ncccn3)c2)CO1 1772618844 GTTJINSRAWFIHD-WIYYLYMNSA-N 440.507 3.197 0 1 IGAF OC[C@@H]1[C@H](O)C[C@@H](NCc2ccc(F)cc2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356539703 XKYGASBEGCVMDD-IRMYBRCSSA-N 425.479 3.112 0 1 IGAF CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccc(Br)cc3)cc2c1 8586249 DYYYWXDVHHFXJA-UHFFFAOYSA-N 445.313 3.324 0 3 IGAF Cc1cccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC(C)C)c(=O)c3c2)c1 6296691 SGKRDRHUCKBDNB-UHFFFAOYSA-N 441.553 3.438 0 1 IGAF CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCC(=O)OC[C@@H](C)CC)CC1 13822795 JQGXTRLSVKQMOV-IBGZPJMESA-N 432.561 3.417 0 1 IGAF COc1ccccc1C(=O)N[C@@H]1N=C(c2ccccc2)c2cc(C)cc3c2N(CC3)C1=O 13835632 SJCAKQQKKYOKDO-DEOSSOPVSA-N 425.488 3.500 0 1 IGAF COc1ccc(CN2CC[C@H]3C=CC[C@@H](C(=O)Nc4nccs4)[C@H]3C2=O)cc1OC 36382881 ICRNFWIKGHQORV-MDZRGWNJSA-N 427.526 3.340 0 1 IGAF CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C\c3ccc4ccccc4n3)C(=O)O2)cc1 40401675 QKLKBJXBLVSOJG-ALWYCYHKSA-N 432.476 3.219 0 1 IGAF CC(C)S(=O)(=O)N1CCC(N[C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72101707 KKWWVKGXCSOSEJ-LJQANCHMSA-N 442.507 3.377 0 1 IGAF CC(=O)NCCNC(=O)c1cnc(NCC2CC2)nc1-c1ccc(-c2ccccc2)cc1 82154148 XMJFFZAAEZDNFD-UHFFFAOYSA-N 429.524 3.498 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(C)C[C@H]1C 95867973 BBNOXYVHIXNILT-PMAPCBKXSA-N 439.556 3.375 0 1 IGAF Cc1noc(-c2cnc(NCCNc3ccc([N+](=O)[O-])cn3)nc2-c2ccc(C#N)cc2)n1 141202368 KNNBOVQAWVQXJM-UHFFFAOYSA-N 443.427 3.201 0 1 IGAF CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(N=C(N)N(C)C2=O)C2(CCC(OC)CC2)C3)c1 141955340 OYDAMQDNTXHXCX-FNEQHPHYSA-N 428.536 3.234 0 1 IGAF Cc1nc(N2CC(c3nc4ccccc4n3CCCC#N)C2)cc(-n2nc(C)nc2C)n1 143072408 SSLDCLNEUNGLQX-UHFFFAOYSA-N 427.516 3.240 0 1 IGAF COc1ccc(OCC(=O)Nc2cccc(CCc3n[nH]c(=O)c4c3CCCC4)c2)cc1 167857503 RJSDQLTYXPJODH-UHFFFAOYSA-N 433.508 3.460 0 1 IGAF COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CO[C@@](C)(C(F)(F)F)C(N)=N3)c2)nc1 168895208 OGFOGSCUHZKSAF-RBUKOAKNSA-N 440.397 3.405 0 1 IGAF C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC(=O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 169290888 GCLFJDBFHQMHMU-QAESMJOVSA-N 437.558 3.263 0 1 IGAF CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC(=O)N2C/C=C/c2ccccc2)C1 169340833 VFZHVGXQUPMIRM-GEDDFEBSSA-N 441.572 3.454 0 1 IGAF CC(C)(C)OC(=O)N1CCc2c(sc3nc(-c4ccncc4)nc(NCCN)c23)C1 223689639 BLZGXXZXRPJXCC-UHFFFAOYSA-N 426.546 3.417 0 1 IGAF O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 253674302 SAHCFCFOKRFDAF-BECHRVIWSA-N 439.987 3.295 0 1 IGAF CO[C@@H]1C=CC=CC=CC[C@H](C[C@H](C)O)OC(=O)C=CC=CC=CC[C@@H](O)C[C@@H](O)C1 253760974 RVOQCIAUFIYHFP-ODTAKUCXSA-N 432.557 3.317 0 1 IGAF COC(=O)c1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccc(C)cc3C)[nH]c2n1 586936989 OQKFVYXLBOEWNJ-OAHLLOKOSA-N 448.570 3.134 0 1 IGAF CN(C)S(=O)(=O)c1cccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587126876 GVCZEDHQKVCCEK-UHFFFAOYSA-N 425.392 3.255 0 1 IGAF CC(C)(C)OC(=O)N[C@]1(c2nc3cc4c(cc3[nH]2)OCC(=O)N4)[C@H]2CCCO[C@H]2C1(C)C 587238822 GJTWNJDXKJPLRE-BDOMHGAVSA-N 442.516 3.449 0 1 IGAF CC1(C)O[C@H]2[C@@H](CO[C@]3(COC(C)(C)O3)[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 587536084 RGKGTAYSWFPCTJ-KUHDOKTFSA-N 430.497 3.299 0 1 IGAF COC(=O)[C@@H](c1ccc(OC)cc1)c1cc2c(O)nc(O)nc2nc1-c1ccc(OC)cc1 587560225 YGIGVHHTLDGDCW-IBGZPJMESA-N 447.447 3.425 0 1 IGAF CCOC(=O)CSc1nnc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)n1 1857566475 ZRSHKDZUYUYVFH-UHFFFAOYSA-N 447.513 3.403 0 1 IGAF CS(=O)(=O)N1CCC(n2cc(-c3cccc(C(N)=S)c3)c3ccc(N)cc32)CC1 1857607968 PEDRRVNRZKMCBY-UHFFFAOYSA-N 428.583 3.121 0 1 IGAF CCCCNC(=O)c1cc(S(N)(=O)=O)c(Br)cc1NC1CCCCC1 1857644408 ALNLRWSQPFMDQS-UHFFFAOYSA-N 432.384 3.371 0 1 IGAF CC1(C)CN(C(=O)NCc2ccccc2)C[C@H]2CN(C(=O)NC3CCCCC3)CCN21 2356303012 JSCSIOFBMLIOOA-OAQYLSRUSA-N 427.593 3.019 0 1 IGAF CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1CC[C@@]13C[C@]4(C)C[C@@H]5C(=O)OC[C@]5(O1)[C@@](C)(C[C@@H]32)C4=O 2356417291 WZMMXZUZVLVJHO-RZSPYTKXSA-N 428.525 3.371 0 1 IGAF COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3cc(OC)c4c(c3O[C@@H]1CO2)C=CC(C)(C)O4 14721551 VSSFKDAMVNYAEJ-DVECYGJZSA-N 440.448 3.121 0 1 IGAF biogenic Cc1cccc(NC(=O)c2sc3ncn(CC(=O)N4CCCC[C@H]4C)c(=O)c3c2C)n1 20756247 XPJCMTNZHTZUFH-CQSZACIVSA-N 439.541 3.123 0 1 IGAF COc1c(OC(C)=O)cc2oc(-c3ccc(OC(C)=O)cc3)cc(=O)c2c1OC(C)=O 33834040 HIOZFEXHRPPNDN-UHFFFAOYSA-N 426.377 3.245 0 1 IGAF biogenic,in-vitro CC(=O)NCCn1c(CCc2ccccc2)nc2c(NCc3cccc(F)c3)ncnc21 82184564 PQSRSKPIQGEDIZ-UHFFFAOYSA-N 432.503 3.499 0 1 IGAF CN(C)C[C@@H](OC(=O)N1Cc2c(n[nH]c2NC(=O)[C@@H]2CCCO2)C1(C)C)c1ccccc1 84706088 FDPSERWZLVMCNT-ZWKOTPCHSA-N 441.532 3.017 0 1 IGAF CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(Cl)cc21 95573428 GAJBSPCTRUBDAK-PCCBWWKXSA-N 429.948 3.179 0 1 IGAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccc(F)cc4)C[C@@H]23)cc1 95874780 PKTKXGGQIIBWIG-OBSHWXBWSA-N 444.572 3.472 0 1 IGAF CCS(=O)(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 95875000 IYKYBCMZBFCAJW-RJGXRXQPSA-N 432.561 3.067 0 1 IGAF C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1C)c1ccccc1 95881073 INFASFKFRLPICJ-WIHZCSRPSA-N 447.579 3.277 0 1 IGAF O=C(c1ccncc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Nc1cccc(F)c1 95894481 BFCCDKSLSUGTGX-FSSWDIPSSA-N 432.455 3.242 0 1 IGAF CNC(=O)NC(=O)C12CC3C[C@H](C1)C(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H](C3)C2 100387797 RJTGWEXIFPHKQR-RHDQDTOGSA-N 447.963 3.264 0 1 IGAF CC(C)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)[nH]n1 114348749 JMSLGFQQYRJYBH-UHFFFAOYSA-N 429.484 3.440 0 1 IGAF COc1cc(-c2cc(C3CCN(C4COC4)CC3)n([C@H]3CCC(F)(F)C3)n2)cnc1N 146428957 HLHCLBLKBAPXMF-INIZCTEOSA-N 433.503 3.474 0 1 IGAF CCOc1cccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCn2ccnc2)c1 169690258 GMIKCUFMVOKNQU-SFTDATJTSA-N 435.480 3.225 0 1 IGAF CCCCS(=O)(=O)N1CCC[C@H](C[C@@]2(CCC3CCCCC3)N=C(N)N(C)C2=O)C1 201975927 ZHKOWSNDDCOBHT-DENIHFKCSA-N 440.654 3.104 0 1 IGAF Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CC[C@@H](F)C4)nn3C)nn12 217364931 YOGUWLYQJULMOI-SNVBAGLBSA-N 431.825 3.172 0 1 IGAF CC(=O)O[C@H]1C[C@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1 255220369 IWCNCUVTGOMGKG-YIYWIVLGSA-N 432.557 3.146 0 1 IGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(c1cccc(F)c1)[C@H]1CCNC1 963142899 LQDWDQKUTXUMTF-ICSGCJEQSA-N 447.532 3.382 0 1 IGAF C[C@H](Oc1ccccc1[C@@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C)C(=O)O 963152159 UMQOWULSAHRNCY-HZUKXOBISA-N 448.497 3.331 0 1 IGAF C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C[C@H]5CCCO5)c(=NC(C)(C)C)[nH]c34)[nH]c21 1857561017 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439.493 3.479 0 1 IGAF in-vitro CCc1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OC[C@H]2CCCN2C)cs1 82071855 VZEBYHVCVVCANJ-MJGOQNOKSA-N 447.626 3.375 0 1 IGAF COc1cc(-c2nc3c(NCC4CC4)ncnc3n2CCCN2CCCC2=O)ccc1O 82180125 JJCHOBMUJVAODU-UHFFFAOYSA-N 436.516 3.042 0 1 IGAF CO[C@H]1/C=C/C=C/C=C/C[C@@H](C[C@H](C)O)OC(=O)/C=C/C=C/C=C/C[C@@H](O)C[C@@H](O)C1 101653626 RVOQCIAUFIYHFP-VYZAPESUSA-N 432.557 3.317 0 1 IGAF O=C1N=C2C=CC=C[C@@H]2N1CCCN1CCC(N2C(=O)N=C3C=C(Cl)C=C[C@@H]32)CC1 102314904 FVLUPQQGKCGHMN-PMACEKPBSA-N 425.920 3.150 0 1 IGAF O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(=O)[nH]n4)ccn23)c1 147061992 ZHVCDQSIPKIGFZ-UHFFFAOYSA-N 428.374 3.435 0 1 IGAF CC[Si](C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)cc2)cc1 170125949 LRDVUUNFWXCBRV-UHFFFAOYSA-N 435.691 3.158 0 1 IGAF Cc1nc([C@@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@@H](O)C(F)(F)F)n1 207202516 AZVXNJWTMXGGSL-SNUQEOBHSA-N 443.433 3.428 0 1 IGAF CCc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1cc(OC)c(OC)c(OC)c1 299825832 NPCPXUXJDZDTON-OAQYLSRUSA-N 425.481 3.030 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c(N)ccnc3[nH]2)c1 586931066 UFELDBDQJVKJNR-UHFFFAOYSA-N 428.562 3.228 0 1 IGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cccc(S(N)(=O)=O)c3[nH]1)N2 587030819 IWWZUEXYHFJNPM-QVASGMJFSA-N 449.583 3.337 0 1 IGAF COc1ccc([C@@]2(CNC(=O)CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511701 MYFZYDCGIGQQPW-VWLOTQADSA-N 437.492 3.416 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587774246 UTAPQCQQIDLOTL-ODXCJYRJSA-N 435.293 3.283 0 1 IGAF CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)C1 962635051 OABOZAVUJQXLAT-XFBWCDHKSA-N 430.423 3.482 0 1 IGAF COc1ccc(-n2nnc(-c3ccccc3NS(=O)(=O)c3ccc(OC)cc3)n2)cc1 1857640999 RWEPQEJSMDMESS-UHFFFAOYSA-N 437.481 3.147 0 1 IGAF CC(C)(C)c1[nH]cnc1/C=c1\nc(O)/c(=C/c2cccc(Oc3ccccc3F)c2)nc1O 1911585238 VFMFIHHRDGVRGW-YXZJEIOKSA-N 446.482 3.497 0 1 IGAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)COc3ccccc3)[C@H](C)[C@H]2[C@@H]1O 2356310760 JIZHSBSZGMDDPU-FNGORDIQSA-N 442.600 3.288 0 1 IGAF CC(C)(O)CC[C@H](O)[C@](C)(O)[C@@H]1CCC2=C3C=C[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]21C 2356552261 KRFLAYQSUAPTKX-FPCNQWFESA-N 448.644 3.480 0 1 IGAF CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@H](C)c1ccccc1)C(=O)OC(C)(C)C 13657143 SMGGCGRBKDJWAW-WBVHZDCISA-N 428.533 3.387 0 3 IGAF O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1)NCC1CCCCC1 95600226 LWYACWLHCWNNJE-KEZOAJOQSA-N 448.579 3.022 0 3 IGAF COC(=O)[C@H]1C[C@]2([C@@H](C=C(C)C)S(=O)(=O)c3ccccc3)c3ccccc3N[C@H]2N1 205718020 ANEQJDYTUGDAHC-YXPKMTABSA-N 426.538 3.020 0 3 IGAF COc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1 768322 HLBFMEAUHNPHNU-SFTDATJTSA-N 434.492 3.405 0 1 IGAF C[C@@]12C(=O)N(CCCO)CC(=O)N1C[C@H](c1ccccc1Cl)c1c2[nH]c2ccccc12 2114068 RUFCQHKLUNKDMN-MZNJEOGPSA-N 437.927 3.235 0 1 IGAF biogenic CCCCO[C@H]1C[C@@H](C(=O)NCCCN(C)c2ccccc2)N(C(=O)c2ccco2)C1 4202215 BUVVNLIQBXKVHL-SFTDATJTSA-N 427.545 3.322 0 1 IGAF C[C@H](N)[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C(F)(F)F)C1 9133360 FMCDYELTNVWSIK-VHSXEESVSA-N 427.398 3.366 0 1 IGAF CC(C)Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc2n(C)c1=O 13678847 HJMDUCMXXXLUEK-UHFFFAOYSA-N 446.507 3.369 0 1 IGAF CCCc1nc(CO)n2nc(C)nc2c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13737993 PHBBPNFSCLBPLB-UHFFFAOYSA-N 440.511 3.315 0 1 IGAF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO 13818721 RUWQYEKJNXOXMW-VXKWHMMOSA-N 440.540 3.007 0 1 IGAF CN1CCC[C@H]2CN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(O)cc3)C[C@@H]21 28457712 JBUVEDXBSJTVCV-FPTDNZKUSA-N 437.471 3.064 0 1 IGAF Cc1cc(C)c2c(c1)CO[P@](=O)(OC[C@H]1CC[C@H](n3cnc4c(N)ncnc43)O1)O2 38146343 KUVGHHLFOMVIIJ-NYCQYLMKSA-N 431.389 3.437 0 1 IGAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2N(CCO)C1=O)OCc1ccccc1 38731788 ZLTJPOXBSZYJED-HSZRJFAPSA-N 429.476 3.115 0 1 IGAF CN1C(=N)N[C@](c2ccc(OC(F)(F)F)cc2)(c2cc(F)cc(-c3cncnc3)c2)C1=O 45245842 SWJSIMOUBCDDJW-HXUWFJFHSA-N 445.376 3.421 0 1 IGAF CC(C)CCN(C)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 49071502 ZOLDSYAIULKYBX-IBGZPJMESA-N 430.520 3.042 0 1 IGAF C[C@@H](N)C(=O)Nc1cccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2)c1 49803612 RVJBKLQZRWUDEF-CYBMUJFWSA-N 431.418 3.107 0 1 IGAF CCCNC(=O)c1cn2ncnc(Nc3cc(C(=O)Nc4ccon4)ccc3C)c2c1C 58660604 MCTUUCHJENITIK-UHFFFAOYSA-N 433.472 3.470 0 1 IGAF in-vitro CN1CCN(CCN(C)CCn2nc3c4c(cccc42)C(=O)c2c(Cl)cccc2-3)CC1 73197900 GMVGQYMQJCJUMH-UHFFFAOYSA-N 437.975 3.080 0 1 IGAF CCCCOCCCNC(=O)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(C)C 82081976 FUMQZNCUFLHFQU-FQEVSTJZSA-N 445.516 3.148 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCCC3)ccc2OC[C@H](C)NC[C@H]1C 95679192 UUJUQZMUGCCRQO-HYFFOGBASA-N 446.592 3.234 0 1 IGAF Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)n([C@H]3CCOC3)n2)cc1C(F)(F)F 146438705 DGDGTDFLDCETQL-HNNXBMFYSA-N 437.466 3.086 0 1 IGAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1)c1cccnc1 147710215 FGHYITFFCUFQHL-TYKWCNGQSA-N 436.556 3.311 0 1 IGAF COC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4[C@H]4C[C@H]43)c2)cc1 195388499 MXPJBCSKVPHJGA-BPIQYHPVSA-N 442.471 3.283 0 1 IGAF COc1cccc2ncc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 199530310 OTCDBCMDDSNWRI-UHFFFAOYSA-N 447.539 3.156 0 1 IGAF Cc1cc(C)cc(CC(=O)N2CC[C@]2(C)C(=O)N(CC(N)=O)Cc2ccc(Cl)cc2)c1 204894545 OJKSSBUFVMWRBC-XMMPIXPASA-N 441.959 3.004 0 1 IGAF C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N(C)C)nc3)ncc2[S@](C)=O)c1 205651519 LSBWKIDQXFRQCA-HKBQPEDESA-N 437.529 3.287 0 1 IGAF Cc1nc([C@H](CC2CC2)NC(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)no1 207733047 KUFIFVNIKLIUEY-INIZCTEOSA-N 433.459 3.288 0 1 IGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4nc(-c5ccccc5)n[nH]4)ncc23)ccn1 219760787 NYXOAOQMAKJDBB-UHFFFAOYSA-N 425.456 3.435 0 1 IGAF CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N1CC(F)(F)C1 261136196 MBNRUFIEUAXHGI-UHFFFAOYSA-N 439.459 3.437 0 1 IGAF N[C@H](N=O)c1ccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c2c1 586950320 DMWIMQYYUYVRFS-HXUWFJFHSA-N 428.518 3.219 0 1 IGAF O=C(O)c1nn(Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1I 587185472 MQQATJIZYNNCPL-UHFFFAOYSA-N 438.559 3.042 0 1 IGAF 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3.337 0 1 IGAF O=C(NCc1ccc(-c2ccccc2)cc1)c1c(NCc2ccccc2)nc(O)n(O)c1=O 1772646157 PBKLDJIIWHWXDK-UHFFFAOYSA-N 442.475 3.395 0 1 IGAF C=CC(=O)N1CC(n2cc(-c3cc4c(OC)ccc(OC)c4s3)c3c(N)ncnc32)C1 1857595632 UKAGLCCFNDEZAF-UHFFFAOYSA-N 435.509 3.482 0 1 IGAF COC(=O)[C@@H]1[C@H](OC(C)=O)CC[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@H]3C[C@H]21 2356501105 NTXLLYBCTDRDHP-YSBOVHILSA-N 426.513 3.227 0 1 IGAF Cc1ccc(S(=O)(=O)NCCCC[C@H](C(=O)O)N(C)C(=O)OCc2ccccc2)cc1 2356810819 BBUPOADCKQFWBJ-HXUWFJFHSA-N 448.541 3.165 0 1 IGAF O=C(CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1)Nc1nccs1 2925519 BTPZSOOVGRQVOQ-UHFFFAOYSA-N 443.535 3.029 0 3 IGAF CCCCc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)Cc2ccccc2)cc1 61896204 MWCJXQPVVGWISV-HSZRJFAPSA-N 428.554 3.068 0 3 IGAF O=C1NCN(c2ccccc2)C12CCN([C@@H](c1nnnn1C1CCCCC1)C1CC1)CC2 72138574 BWXWBHSTUVQLLA-OAQYLSRUSA-N 435.576 3.058 0 3 IGAF COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]3(C)C[C@H](c4ccoc4)OC(=O)[C@H]3CC[C@@]12C 1608487 OBSYBRPAKCASQB-ZNVFSAGOSA-N 432.469 3.000 0 1 IGAF COC[C@H](Cc1cc(OC)c(O)c(OC)c1)[C@H](COC)Cc1cc(OC)c2c(c1)OCO2 14616695 RYZNPFYAGDHZDT-ROUUACIJSA-N 448.512 3.457 0 1 IGAF biogenic,in-vitro Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(S(N)(=O)=O)cc3c2-c2ccccc2)c(C)c1 40879794 VPIJHUWPYNNVSD-UHFFFAOYSA-O 435.529 3.079 0 1 IGAF Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(C4CCN(CCO)CC4)ccn23)n1 40974858 BQPDRJHMQWGRNN-UHFFFAOYSA-N 432.503 3.351 0 1 IGAF COc1cccc([C@]2(O)c3ccccc3Oc3cc(C(=O)N4CCN(C)CC4)ccc32)c1 45385889 OMHRGBNLERTVTJ-SANMLTNESA-N 430.504 3.473 0 1 IGAF COc1cccc(NC(=O)N2CCCCN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)c1 69058782 ADDUSXGIWKFTBR-GOSISDBHSA-N 432.521 3.111 0 1 IGAF Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3(C)C)cc2F)n1 72123503 NOSOFFHRLGZNDK-UHFFFAOYSA-N 448.506 3.135 0 1 IGAF CC(C)Oc1cc(CCC(=O)NS(C)(=O)=O)n(Cc2ccc(Cl)cc2Cl)n1 82158299 MQLDILMWGJRVTQ-UHFFFAOYSA-N 434.345 3.034 0 1 IGAF O=C(c1ccccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1F 95894528 ZPDCCBMYJGFFFY-VSKRKVRLSA-N 432.455 3.242 0 1 IGAF CC[C@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)NCCOC 103623192 VCQPNVZUTAEELT-HNNXBMFYSA-N 448.980 3.253 0 1 IGAF CC(C)(C)S(=O)(=O)c1cnn([C@@H](CC2CCOCC2)C(=O)Nc2ncc(F)s2)c1 137681341 DSXYFRHBEHZZQH-AWEZNQCLSA-N 444.554 3.047 0 1 IGAF COc1ccc(/C=C/C(=O)O[C@@H]2CCC(C)(C)[C@@H]3[C@@H](O)C=C4CO[C@@H](O)[C@@H]4[C@]32C)cc1 139794439 MMSGKHKMLLCENK-NMAMHUQYSA-N 428.525 3.328 0 1 IGAF CC(C)CN1CCC([S@@](=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)CC1 223400941 DSEMIVYHPJSZJW-WJOKGBTCSA-N 440.569 3.381 0 1 IGAF O=C(NCCN1C[C@@H]2CC(n3c(=O)[nH]c4ccccc43)C[C@H]2C1)c1cc2cc(F)ccc2[nH]1 299839334 SHTZQICSLLBOBJ-IRXDYDNUSA-N 447.514 3.263 0 1 IGAF COc1cc(OC)c2[nH]c(CCN3C(=O)COc4cc(Br)ccc43)nc2c1 587002133 IUWPWFZGVVYISX-UHFFFAOYSA-N 432.274 3.311 0 1 IGAF CCOC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587441074 CXPKJLCCGQCQDX-ZOUOIUENSA-N 431.485 3.144 0 1 IGAF Cc1ccc(S(=O)(=O)N2CCc3cc4c(O)nc(O)nc4nc3-c3ccccc32)cc1 587563217 PSSNRSOIUALZFN-UHFFFAOYSA-N 434.477 3.163 0 1 IGAF Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(-c4ccncc4)cc2)C3=O)n1 653753170 UIYOBJSZAFNUOA-UHFFFAOYSA-N 426.436 3.189 0 1 IGAF Nc1ncc(-c2cc([C@@H]3[C@H]4CN([C@H]5CCOC5)C[C@H]43)nc(C3CC3)n2)cc1OC(F)F 653762256 RGEFPLPFUWQZLY-XTDOFWJNSA-N 429.471 3.034 0 1 IGAF COCCCNC(=O)c1cc([C@]2(C3CC3)c3c(ccc(OC)c3OC)C[C@H](C)N2C)c[nH]1 962619852 GUKGJXMMOIRQNH-IVCQMTBJSA-N 441.572 3.328 0 1 IGAF COC(=O)C[C@@]1(c2ccncc2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177497 CZHAXLKMXYNTHL-UGSOOPFHSA-N 428.794 3.159 0 1 IGAF Cc1ccc2nc(C[C@@H]3CN(S(=O)(=O)c4ccccc4)CC[C@H]3CC(=O)O)[nH]c2c1 2356410976 VZDUXFWABYIYMJ-DLBZAZTESA-N 427.526 3.216 0 1 IGAF COc1cc(OC)c(OC)cc1C[S@](=O)c1ncccc1C(=O)Nc1ccncc1 13605314 QYPWHSRHSWAEJL-SSEXGKCCSA-N 427.482 3.063 0 1 IGAF CN(C(=O)c1ccc2c(c1)nc(NC(=O)c1ccccc1)n2CCC(N)=O)c1ccccc1 28822767 NGHIMGBPEPCNOT-UHFFFAOYSA-N 441.491 3.441 0 1 IGAF O[C@H]1CCN(Cc2cccc(Br)c2)C[C@@H]1N1CCN(c2ccccc2)CC1 38156627 KTOAHCJQSOZXQM-VXKWHMMOSA-N 430.390 3.207 0 1 IGAF CC(C)CN1C(=O)CN(Cc2ccc(-c3ccc(F)c(CN4CCOCC4)n3)cc2)C1=O 72123568 YJYLNDWLTXTODC-UHFFFAOYSA-N 440.519 3.140 0 1 IGAF CC(=O)Oc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)ccc1C 72128544 WMFYHRNNFCLTGX-UHFFFAOYSA-N 439.415 3.439 0 1 IGAF CCCCCCOc1ccc(-c2nc(C(=O)N[C@@H](CO)CSCNC(C)=O)co2)cc1 82070972 WNHOWEVLGIJXDI-SFHVURJKSA-N 449.573 3.218 0 1 IGAF CCCN(C)C[C@H]1Oc2ncc(-c3ccccc3F)cc2C(=O)N([C@@H](C)CO)C[C@H]1C 95714933 CVNRQWBSKQLJPT-HYFFOGBASA-N 429.536 3.450 0 1 IGAF COc1ccc(-c2cc(C(N)=O)c3[nH]c4cc(N5CCN(C)CC5)ccc4c3n2)cc1F 113199590 ALQXMAICDNFPTN-UHFFFAOYSA-N 433.487 3.382 0 1 IGAF C[C@H]1CN(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CCN1 118403141 ZEDZCGQXOLFPOO-IFXJQAMLSA-N 441.486 3.175 0 1 IGAF O=C1COc2ccc(-c3nc([C@H]4CCCCN4C(=O)COc4ccccc4)no3)cc2N1 144026308 RTNSVSNVJMBATI-GOSISDBHSA-N 434.452 3.200 0 1 IGAF Cc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1 144286304 BQYSULFXJJFMJV-UHFFFAOYSA-N 427.512 3.460 0 1 IGAF COc1ccc(NC(=O)CSc2cc(O)n(-c3ccc4c(c3)OCCO4)c2O)cc1 169689691 DOLJAOCOOKRLSV-UHFFFAOYSA-N 428.466 3.399 0 1 IGAF COC(=O)[C@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 203532389 INFTVNCBSMJJQM-FYYLOGMGSA-N 430.453 3.111 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@H](O)[C@@](/C=C/Cc4ccccc4)(CO)C[C@@H]4[C@@H](C2)N(C)CC[C@@]341 253978811 ZWVDVCFMIUCNEM-AGVUWOAGSA-N 447.575 3.113 0 1 IGAF Cn1cnc(Br)c1-c1noc([C@H]2CCCCN2C(=O)COc2ccccc2)n1 299855731 FWSXGDAINVFNNO-CQSZACIVSA-N 446.305 3.365 0 1 IGAF C=CC(=O)Nc1cccc(CN=c2[nH]c(=NCCCCN(CC)CC)[nH]cc2Cl)c1 473104044 NZGJREKJSINXBY-UHFFFAOYSA-N 430.984 3.244 0 1 IGAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Br)ncc4[nH]3)c2)o1 586923862 YVVPHZNPVFPTOC-UHFFFAOYSA-N 448.302 3.307 0 1 IGAF CC1=C(c2ccc3nc([C@H](N)Cc4cccc(Br)c4)[nH]c3c2)NNC(=O)C1 586983382 BNOMKPPCWNHENG-OAHLLOKOSA-N 426.318 3.323 0 1 IGAF O=C(Nc1nc(Cc2nc3ccc(CN4CCOCC4)cc3[nH]2)cs1)c1cccc(O)c1 587019900 RZEGBZADDPBGPB-UHFFFAOYSA-N 449.536 3.400 0 1 IGAF CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587755840 PPJUKQGKHAHYLO-ZSEKCTLFSA-N 449.320 3.045 0 1 IGAF COc1cc2ncnc(Nc3cccc(C(F)(F)F)c3)c2cc1NC(=O)[C@@H]1COC(=O)N1 653866606 KDLRRQBIKOFXEI-HNNXBMFYSA-N 447.373 3.448 0 1 IGAF CC(=O)c1ccc2c(c1)[C@@H](c1ccccc1C(N)=O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962626718 NWTFZIBWHQZFEX-VQTJNVASSA-N 438.480 3.324 0 1 IGAF COc1cc([C@@H]2NCCc3c2c(C(C)C)nn3C)ccc1OCC(=O)NC1CCCC1 962921985 POTOLIMXPBTMLX-DEOSSOPVSA-N 426.561 3.225 0 1 IGAF CCN1CC[C@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)[C@@H](C(=O)OC)C1 962964309 ZUPNXUBDCCLPSS-UTKZUKDTSA-N 426.479 3.067 0 1 IGAF CCNC(=O)OCc1c(COC(=O)NCC)c2c3ccccc3c(N(C)C)nn2c1C 1857581984 JIPOUCANJVTETG-UHFFFAOYSA-N 427.505 3.354 0 1 IGAF COc1cc(NC(=O)NC(=O)c2cc(C(F)(F)F)c3c(C)nn(C)c3n2)cc(Cl)n1 1857762361 GLYGFPSBMIXFLV-UHFFFAOYSA-N 442.785 3.314 0 1 IGAF C[C@H](C(=O)N1CCCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@H](C)[C@@H]2[C@H]1O 2356422247 KJAKCBZONDTXTR-LJAKAVKASA-N 442.604 3.047 0 1 IGAF CCCCCC[C@H](O)C=CCO[C@@H]1[C@H](C)[C@@H](O)[C@@]2(C)O[C@@]1(C)[C@@]1(C)OC(=O)[C@@H](C)[C@H]2O1 2356747959 IWOGBRLVZBYBFT-RLKKFORUSA-N 440.577 3.112 0 1 IGAF O=C(NCc1ccccc1F)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 790460 SNSRNUZDNUVTMJ-SIKLNZKXSA-N 440.519 3.112 0 1 IGAF O=C(O)CC[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCCC2)CC1 27213394 YARSCZBHMLSKFA-GOSISDBHSA-N 435.952 3.381 0 1 IGAF Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)CC3)cc(F)cc2n1 40892224 SQAJJIRLNALPSN-UHFFFAOYSA-N 434.515 3.402 0 1 IGAF Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C[C@H]4CCCO4)CC(=O)N32)c1 43741719 POZWVXURYZDLPS-YBGOQADZSA-N 429.520 3.340 0 1 IGAF biogenic Cc1ccc2sc(CC3=C(OCc4cccs4)[C@@H](O)[C@H](O)C[C@]3(O)C(=O)O)cc2c1 72105066 OADHYWHGZRSHLB-ZWCUEREDSA-N 446.546 3.226 0 1 IGAF CCCOC(=O)[C@]1(O)C=C(OCc2ccc3sccc3c2)[C@@H](OC(=O)CCC)[C@H](O)C1 72181198 VGQKHCDZBZLKQS-FRGLQRNOSA-N 448.537 3.463 0 1 IGAF O=C(CNC(=O)c1csc(Nc2ccccc2)n1)NC1CCN(Cc2ccccc2)CC1 82084915 PYEYYWRJXAFFEY-UHFFFAOYSA-N 449.580 3.397 0 1 IGAF COc1cc(OC)nc(NCCCn2c3c(c4cc(S(C)(=O)=O)ccc42)CCCC3)n1 95579642 UJNQSDZDELYKRE-UHFFFAOYSA-N 444.557 3.233 0 1 IGAF CCS(=O)(=O)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4C)cc3)[C@@H]2C1 95874363 RSSVIUFKDKHCDB-VXNXHJTFSA-N 428.598 3.236 0 1 IGAF CCC[C@@H](CC)Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 101009226 RVDURVLAKDYFMD-CQSZACIVSA-N 440.525 3.390 0 1 IGAF N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)OCc2ccc3ccccc3c2)CC1 103227306 ZHBCFUGAJMXZDU-TYPHKJRUSA-N 427.570 3.485 0 1 IGAF O=C(c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)c1)N1CCN(c2ccccc2F)CC1 103879835 DPPCDERPQRCHKO-AFXFGAOOSA-N 445.494 3.100 0 1 IGAF C[C@@](O)(CN1CCN(C2CCC2)S1(=O)=O)Cn1c2ccc(F)cc2c2cc(F)ccc21 149372038 GJGRNHYADPMJTD-JOCHJYFZSA-N 449.523 3.239 0 1 IGAF Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C3CC3)c(N3CCCNCC3)n2)n1 224854752 JIEGLKQWELHCHA-UHFFFAOYSA-N 426.528 3.258 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C[C@H](C)[C@@](C)(O)C2=O 224921512 OSMGTOUUTLKKCF-BSNNYGBQSA-N 430.453 3.243 0 1 IGAF CCn1cc(Br)c(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)n1 587000292 KYQMFWFQMHZMGQ-UHFFFAOYSA-N 428.294 3.192 0 1 IGAF C[C@]1(c2ccc(S(N)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587369359 GMVSSKHHXKVAEQ-IFMALSPDSA-N 427.453 3.453 0 1 IGAF C/C(=C\[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)NNC(N)=S 587704239 IBNYLGDZXNWNKN-XWVJOGQJSA-N 441.292 3.122 0 1 IGAF CC[C@H](O)[C@H](O)CC=CC=CC=CC[C@H](O)C(C)=C[C@H](C)[C@H](C)OC(=O)CCC(=O)O 2356323442 KZEPXPAHJZNSAB-JFZIVLOISA-N 438.561 3.307 0 1 IGAF CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)N[C@H]1c1ccc(Br)cc1 13125886 IODPYTVEPBOYMC-INIZCTEOSA-N 425.279 3.217 0 3 IGAF COc1ccc([C@@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@H]2COC(C)=O)cc1OC 13400201 UQRCZVRHEJVEMI-ICSRJNTNSA-N 442.420 3.263 0 1 IGAF biogenic COc1ccc(C(=O)N[C@@H](C(=O)NCC2CCN(C(C)C)CC2)c2ccsc2)cc1 13534883 INUHGFLCBZIGPN-OAQYLSRUSA-N 429.586 3.464 0 1 IGAF S=C(NCc1ccc(I)cc1)N1CCC(c2c[nH]cn2)CC1 13808005 DZBSGIZPIZEWAW-UHFFFAOYSA-N 426.327 3.268 0 1 IGAF O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1cnc2ccccc2c1 26840040 NNULNULBQFJNGI-DEOSSOPVSA-N 448.548 3.296 0 1 IGAF CN(C)c1ccc(C(=O)N[C@@H]2CCc3ccccc3N(CC(=O)OC(C)(C)C)C2=O)cc1 29408930 MKTBEDGUTVRUNF-HXUWFJFHSA-N 437.540 3.172 0 1 IGAF Cn1c(=O)c2ccccc2n(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)c1=O 29560063 PJJYCJPLKPIMIR-UHFFFAOYSA-N 434.515 3.275 0 1 IGAF Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 40401221 KJRWEYVIPROILC-UHFFFAOYSA-N 430.452 3.302 0 1 IGAF Cc1ccc(Cc2nn(Cc3nnc(S)o3)c(=O)n2CCc2c[nH]c3ccccc23)cc1 103223023 PTEXBLZFUSLKDF-UHFFFAOYSA-N 446.536 3.388 0 1 IGAF Cc1ccccc1-n1c(SCc2cc(=O)n3ccccc3n2)nc2nnc(C)c-2c1N 103623117 FAZNPQRWGCFELP-UHFFFAOYSA-N 429.509 3.266 0 1 IGAF Cn1cc(Br)c([C@H]2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)n1 139365426 SLLUTHHLDJDASL-KRWDZBQOSA-N 441.289 3.443 0 1 IGAF C[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)NC(=O)c1cc(C(=O)O)ncn1)C(=O)O 142140734 RPPNGIBDLYBJPM-BEFAXECRSA-N 433.464 3.294 0 1 IGAF COc1cccc([C@H](O)[C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1 199431485 RPKZHKUOGKQMIC-DVECYGJZSA-N 434.540 3.425 0 1 IGAF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cnc[nH]3)[nH]c12 205655254 GDUHKQBBLKMVCS-UHFFFAOYSA-N 427.472 3.064 0 1 IGAF COc1nccc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc12 261187612 XZITZACDFCICKV-UHFFFAOYSA-N 447.539 3.156 0 1 IGAF COC(=O)COc1ccc(Br)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416527 CKFCOHNCEGTMFM-JLTOFOAXSA-N 433.254 3.498 0 1 IGAF Cc1ccc(C)c2c1NC(=O)[C@]21c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963144865 MQRDAQFGEUIAOO-YEJXKQKISA-N 429.498 3.202 0 1 IGAF COc1ccc([C@H](O)[C@]2(c3ccc(OC)cc3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963552216 OTTOEDHYNSHDAS-LLZJGCNPSA-N 449.503 3.294 0 1 IGAF COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)NC(=N)[C@@](C)(F)CC3(F)F)c2)nc1 1772589923 RFYVGRKMWIRDAM-ZWKOTPCHSA-N 425.386 3.426 0 1 IGAF Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)n(Cc2csc(N3CCOCC3)n2)c1 1857620347 GONQVQNNLAFUEB-UHFFFAOYSA-N 426.498 3.088 0 1 IGAF CCN1CCN(C2CCN(C(=O)COc3ccc(-c4ccc(OC)cc4)cc3)CC2)CC1 1857773551 HQHBRBVCWLKIRI-UHFFFAOYSA-N 437.584 3.370 0 1 IGAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@@H]2CN1CCN(c2ccccc2)CC1)Nc1ccsc1 2356502027 UPTTXDHMRVNACT-QTEQDKRBSA-N 439.629 3.402 0 1 IGAF Cc1cccc(NC(=O)c2[nH]cnc2C(=O)NCCCCCNC(=O)OC(C)(C)C)c1 36387748 BYLBJPDQAACGOU-UHFFFAOYSA-N 429.521 3.395 0 3 IGAF O=C(NCc1ccccc1Cl)[C@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)c1cccs1 95566689 CCAOOWOIJSFRQF-QZTJIDSGSA-N 445.972 3.314 0 3 IGAF COc1cc(O)c([C@H](CC(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccc3c(c2)OCO3)c(OC)c1 263590520 PLNPXYQHYDMAGY-RLFYNMQTSA-N 443.496 3.296 0 3 IGAF CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1ccccc1)CCCC3 13608908 XFWYGPJGSADHTQ-UHFFFAOYSA-N 434.492 3.262 0 1 IGAF CC(C)CCn1c(Cn2c(=O)n(C3CC3)c(=O)c3ccccc32)nc2cc(CO)ccc21 28824465 SMDLCYQVAWVMEZ-UHFFFAOYSA-N 432.524 3.435 0 1 IGAF CC(C)NC(=O)N1CCN(C(=O)CO[C@@H](c2cccs2)c2cccnc2Cl)CC1 45302654 MXMYDYCTSKPUFF-GOSISDBHSA-N 436.965 3.165 0 1 IGAF O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1CCOP(=O)(Oc1ccccc1)Oc1ccccc1 72180817 FTQXGQMCTWWWOT-FGYAAKKASA-N 443.392 3.432 0 1 IGAF COc1cc2nc(N3CC[C@@H](NC(C)=O)C3)nc(NCc3cccs3)c2cc1OC 82125308 VKNMPYJTTVLPPC-CQSZACIVSA-N 427.530 3.035 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 82199162 BNQKNKMJCWJENX-CZKNHELESA-N 448.560 3.081 0 1 IGAF O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(Cl)cc1 95904822 RXKHTODQLXZGSD-PWIZWCRZSA-N 449.910 3.216 0 1 IGAF CC[C@@H](CS(=O)(=O)CCCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 96172744 GWKZZGXJQDRGRV-IBGZPJMESA-N 448.585 3.104 0 1 IGAF CCNC(=O)Nc1nc2cc(-c3cncc(OC)c3)c(OC[C@H]3CCOC3)nc2s1 169340126 MNPQWORSSDHHJZ-LBPRGKRZSA-N 429.502 3.319 0 1 IGAF CN(C)CCNC(=O)CCc1ccc(Nc2ncc(Cl)c(NC[C@H]3CCCO3)n2)cc1 299852330 QLQHJKLDQOOEOU-GOSISDBHSA-N 446.983 3.075 0 1 IGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)Nc1ccc(NC(=O)CC(C)=O)cc1)[C@@H](C2)C3=O 587433600 SLBITPRRZGVNCX-MHECFPHRSA-N 436.464 3.148 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1nn(C)cc1Br 587866413 CJQMNIKFSYZUIG-UHFFFAOYSA-N 430.184 3.157 0 1 IGAF Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3ccc(Cl)cc3)[C@H]4C2=O)cc1 618005466 BDZORXDRTRDKER-HXKBJWFLSA-N 436.939 3.289 0 1 IGAF CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)C1 962635049 OABOZAVUJQXLAT-LYRGGWFBSA-N 430.423 3.482 0 1 IGAF COc1cc([C@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)ccc1OCCO 963186641 UMJVKBJMQKOVCQ-CRAIPNDOSA-N 445.821 3.427 0 1 IGAF N=C1NC(=N)N(c2ccc(OCc3cn(Cc4ccccc4)nn3)cc2)C2(CCCCC2)N1 1857537405 MHICMHXBACGZKN-UHFFFAOYSA-N 444.543 3.435 0 1 IGAF O=C(O)[C@@H]1[C@@H](N=c2[nH]c(-c3[nH]nc4ncc(F)cc34)nc3ccsc23)[C@H]2C=C[C@H]1CC2 1857571356 AMFGNEXILHIXLT-CHPZLBCBSA-N 436.472 3.268 0 1 IGAF C[C@]1(O)CCN(C(=O)COc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356289130 QEQHTRNQKSXOMI-GNKBHMEESA-N 436.552 3.465 0 1 IGAF CC1=C[C@H](CNCCN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 2356440885 USUALXWVQITFMM-ZRBLBEILSA-N 439.604 3.451 0 1 IGAF COc1ccccc1C(=O)N1C[C@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 2356619617 LUERWSOXTAVRMQ-NQIIRXRSSA-N 429.476 3.299 0 1 IGAF CC(=O)O[C@H]1CCC(C)(C)[C@@]2(O)C[C@@H](OC(C)=O)[C@H]3[C@@H](Cc4occc4[C@]3(C)O)[C@@]12C 2356678293 ZUOSXOQNJTXIGG-LKBBTOMZSA-N 434.529 3.100 0 1 IGAF COc1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1 773265 JSCQGTQXTYWTIQ-FPOVZHCZSA-N 430.888 3.308 0 1 IGAF CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCC(C)(C)CO)c1 4046306 CRLKSFBBOAJOAB-FYYLOGMGSA-N 439.556 3.378 0 1 IGAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC 4295878 SAUAEKCMUGQNDC-SKRIEOTFSA-N 426.513 3.319 0 1 IGAF CN1C(=O)[C@H](NC(=O)Nc2ccc(C(=O)O)cc2)N=C(c2ccccc2)c2ccccc21 13732950 PICDFDQFHOVESX-NRFANRHFSA-N 428.448 3.346 0 1 IGAF OC[C@@H]1CC=C[C@H]1n1cnc2c(NCc3ccccc3I)ncnc21 29132060 HNEJDCMBAFNXAC-DZGCQCFKSA-N 447.280 3.153 0 1 IGAF COc1cccc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)c1 40847061 QSHZDFROGASVTB-UHFFFAOYSA-N 433.556 3.213 0 1 IGAF in-vitro CC(C)Oc1ccc([C@@H](CC(=O)O)NC(=O)CCC(=O)Nc2ccc3c(c2)CNC3)cc1 58626976 PFXLKKGAWOLVNE-OAQYLSRUSA-N 439.512 3.128 0 1 IGAF Cc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCc3ccccc3)ncnc12 84617996 NJHJSWPTONGOJH-UHFFFAOYSA-N 426.528 3.494 0 1 IGAF COc1ccc(NC(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3Cc2ccccn2)cc1 95894423 NQYQWYBLZOGQEU-RBZQAINGSA-N 430.508 3.471 0 1 IGAF CCn1cc(-c2nnc(COc3ccccc3)o2)c(=O)c2cc(F)c(N3CCNCC3)cc21 98084783 QFIFEEVDFSUDIH-UHFFFAOYSA-N 449.486 3.199 0 1 IGAF CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@H]2C(c2ccc(Br)cc2)=N1 100985881 UHBDWRSSIBRRKS-GOEBONIOSA-N 439.265 3.405 0 1 IGAF [C-]#[N+]c1ccc2c(c1)[C@]1(N=C(N)N(Cc3ncccn3)C1=O)[C@]1(CC[C@H](OC)[C@H](CC)C1)C2 261075413 AVVORUVBZPZBAG-VKHXMUCXSA-N 444.539 3.347 0 1 IGAF Cc1cc2c(-c3cccnc3)cnc(N[C@@H]3CCNC[C@H]3OCC3CCOCC3)c2nc1O 473090873 QANQXXMEQLYMTN-FGZHOGPDSA-N 449.555 3.291 0 1 IGAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3ccc(Cl)c(C)c3[nH]2)cc1 586939556 ABDQXFBROIQRJN-SFHVURJKSA-N 446.960 3.475 0 1 IGAF COc1nccc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(C(C)=O)cc4)cc3)nc12 586944936 SDQJYTPHNVEJPY-UHFFFAOYSA-N 436.493 3.315 0 1 IGAF CCOC(=O)c1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1 587128618 NPBHKPWOTSCCFU-UHFFFAOYSA-N 433.390 3.164 0 1 IGAF COc1cc2c3c(c1)O[C@H](c1nc(Br)cnc1Br)[C@@H](C2)C3=O 587416731 DCLMJPPLGALPJG-RTHLEPHNSA-N 426.064 3.499 0 1 IGAF CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587583087 QCURHOGALPPHPG-WFXMLNOXSA-N 427.453 3.358 0 1 IGAF CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 587597435 UMXPMEFKBSOFEO-SOQMULPZSA-N 437.492 3.434 0 1 IGAF Cc1nc2n(c(=O)c1CCN1CCN(c3nsc4ccccc34)CC1)CCCC2(F)F 1772575424 XURAMCXXLDOPJF-UHFFFAOYSA-N 445.539 3.412 0 1 IGAF C[C@H]1CC(=O)NN=C1c1ccc2c(c1)nc(-c1ccc(=O)n(C)c1)n2Cc1ccccc1 1772581799 QVSSJOZEJGQXDM-INIZCTEOSA-N 425.492 3.310 0 1 IGAF O=C(O)CCN(Cc1cccc(Br)c1)Cc1ccc(C(=O)O)c(C(=O)O)c1 1772605145 YTUCCDCWDDXJOH-UHFFFAOYSA-N 436.258 3.322 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@@H]2OC(=O)[C@](C)(OC(=O)C(C)=CC)[C@H]21 2356579550 BCRODGCGQKENCQ-BLNWNADLSA-N 446.540 3.411 0 1 IGAF CSc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 4034470 FGOUCXOQWYQZHO-IBGZPJMESA-N 445.566 3.085 0 3 IGAF CCOC(=O)c1cnn(C[C@@H](O)c2ccccc2)c1NC(=O)NCc1ccccc1F 28702149 XRNKPYBIGCAELZ-LJQANCHMSA-N 426.448 3.254 0 1 IGAF C=Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cccc(C(F)(F)F)c3)C2)cc1 29125606 NLJBQPVHEXOMDN-HXUWFJFHSA-N 431.458 3.469 0 1 IGAF CCCn1c(=O)c2[nH]c(-c3cnn(Cc4c(F)cc(F)cc4F)c3)nc2n(CCC)c1=O 36190438 MNTBZWJTRUMJSU-UHFFFAOYSA-N 446.433 3.035 0 1 IGAF O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1C[C@H](O)CO 38800337 UTNPHCAOJSTUCO-LBPRGKRZSA-N 436.851 3.057 0 1 IGAF N=C(NCCCCNS(=O)(=O)c1cccc2ccccc12)N1CCc2ccccc2C1 43076608 GDBBTMDOWJPPBU-UHFFFAOYSA-N 436.581 3.481 0 1 IGAF O=C(NC[C@H](O)c1ccccc1)c1ccc(N2CCC(C(=O)c3ccccc3)CC2)nn1 45337448 IDPZZOYWDBJFMQ-QFIPXVFZSA-N 430.508 3.039 0 1 IGAF COc1ccc(NC(=O)Nc2cccc(-c3nc(NCCCO)c4ncn(C)c4n3)c2)cc1 49037410 KCCHSJUVZNDWIM-UHFFFAOYSA-N 447.499 3.477 0 1 IGAF Cc1cn([C@@H]2C=C[C@@H](CO[P@]3(=O)OCc4c(ccc5ccccc45)O3)O2)c(=O)[nH]c1=O 58609011 KGWFETRZCYQEIS-ICHRWLNQSA-N 442.364 3.186 0 1 IGAF O=C(NCCCN1CCCC1)[C@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085416 LSIVNMYCHCUGJM-LJQANCHMSA-N 427.574 3.093 0 1 IGAF CCCCNC(=O)[C@@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 82213452 RQXDKTCWCOSFGC-IRLDBZIGSA-N 438.572 3.490 0 1 IGAF O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1)NCC1CCCCC1 95886082 LWYACWLHCWNNJE-NAVOZUGXSA-N 448.579 3.022 0 1 IGAF O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cccc(-n3cc[nH]c3=O)c2)n1 143905421 SCEBBRFHMUZVCJ-HXUWFJFHSA-N 445.479 3.348 0 1 IGAF O=C(/C=C/CN1CC(O)C1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2s1 169311834 JKABMGXBBVXKDI-OWOJBTEDSA-N 433.896 3.399 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(CO)c3)c2)c2cncnc21 169707646 ZPHKKTUGWIVMPT-UHFFFAOYSA-N 429.480 3.312 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(O[C@@H]4CCC[C@H]4O)c3)C2)cc1 169709817 IASQVAWPPGBFTP-RAKGIWIYSA-N 425.529 3.229 0 1 IGAF Cc1cc(CN2CCO[C@@H](C)C2)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O 169711440 CMRSLADAODNCKF-FQEVSTJZSA-N 447.535 3.234 0 1 IGAF Cc1cc(CN2CCO[C@H](C)C2)ccc1C(=O)Cn1ncc(OCc2ccccc2)cc1=O 169711441 CMRSLADAODNCKF-HXUWFJFHSA-N 447.535 3.234 0 1 IGAF O=S(=O)(c1cc(-c2nc3c(O)ncnc3[nH]2)ccc1Cl)N1CCc2ccccc21 586956896 YTJYLZKKPLBUEK-UHFFFAOYSA-N 427.873 3.130 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)c3cc(C)n(C)n3)c(=O)c3ccccc23)c(O)c1 587667525 NNMSPSLBPORMHY-UHFFFAOYSA-N 431.496 3.346 0 1 IGAF CCN(c1ccc(-c2csc(-c3ccnc(-n4cncn4)c3)n2)cc1)S(C)(=O)=O 587923599 YRERYBOPNMWXJS-UHFFFAOYSA-N 426.527 3.239 0 1 IGAF Cc1nn(CCS(C)(=O)=O)c(C)c1[C@]1(C)c2ccsc2CCN1Cc1cccn1C 962398923 OADDYGSXTXPHIE-QFIPXVFZSA-N 446.642 3.266 0 1 IGAF CN(C)c1ccc(C2=NO[C@H](c3c(F)cccc3Cl)[C@H]2C(=O)N2CCOCC2)cc1 773072 VNBSYORVMNOXEW-PZJWPPBQSA-N 431.895 3.496 0 1 IGAF CCC[C@@](C)(O)[C@@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5 1656901 LOOHQOHHYOAWOS-YURBEMDOSA-N 425.569 3.467 0 1 IGAF CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)N[C@@H](C)CN(C)C)c1 4040632 ZQEKITPVVFZXOA-OZWPHOJSSA-N 438.572 3.309 0 1 IGAF COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(C5CCCC5)n4)CO[C@H]23)cc1 5434002 JEMPJNXHDIVEEN-DOIPELPJSA-N 440.500 3.338 0 1 IGAF biogenic O=C(Nc1cccc(OCCCN2CCOCC2)c1)[C@H](O)C12CC3CC(CC(C3)C1)C2 40862507 CQJKTTABBXYZAT-SBTPEUDISA-N 428.573 3.304 0 1 IGAF O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@@H](C(=O)N2CCCNCC2)C1 82081377 UBISAKIRDMBTKP-MRXNPFEDSA-N 432.977 3.138 0 1 IGAF COc1cc(OC)cc(-c2nc(C(=O)N[C@H](CO)COCc3ccccc3)cs2)c1 82085911 ALSKLZKCRAXELY-QGZVFWFLSA-N 428.510 3.135 0 1 IGAF CCc1nnc(NC(=O)CSc2nc3c4ccccc4nc-3c(O)n2CCOC)s1 101836714 XWPJYAVBZSVJGB-UHFFFAOYSA-N 444.542 3.033 0 1 IGAF Cc1nn(C2CCOCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4CCOCC4)CC3)cc12 114712862 YXVMCBBIZSQRRG-CALCHBBNSA-N 432.590 3.131 0 1 IGAF O=C(c1cccc(F)c1-n1nccn1)N1CC[C@H]2CN(c3cc(C(F)(F)F)ccn3)[C@H]2C1 116827657 WQEUMTUNQPIOJK-GUYCJALGSA-N 446.408 3.171 0 1 IGAF O=C(CN1CCOCC1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1C(F)(F)F 149386584 DSPCHVDSEGOQLK-UHFFFAOYSA-N 441.494 3.372 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCCO[C@H]2Cn2cc(-c3ccc(F)cc3)cn2)c1 210619861 AQFPGDOPAWNDQW-QHCPKHFHSA-N 446.486 3.467 0 1 IGAF CCOc1cc(O[C@H]2CC[C@H](O)CC2)cc([C@@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 253673992 DEGRHQBKZOASMX-DBXWQHBBSA-N 427.501 3.289 0 1 IGAF CCCCNS(=O)(=O)c1ccc2nc(-c3cnn4cc(Br)cnc34)[nH]c2c1 587007831 FFUNSKKDKIUVQS-UHFFFAOYSA-N 449.334 3.114 0 1 IGAF CC(C)(C)Oc1cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(N)cc1F 587136338 OAXHYKKBFVOYRR-UHFFFAOYSA-N 448.520 3.149 0 1 IGAF CCOC(=O)CCOCCCOCCc1nc2ccc(I)cc2[nH]1 587567395 HQEAHXZSZJMJCP-UHFFFAOYSA-N 446.285 3.087 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(=O)O)(c2ccc3c(c2)CCC(=O)N3)N1 587800098 ZXTMWNZDWQGEIG-SBKAZYGRSA-N 433.277 3.335 0 1 IGAF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CC(=O)C(F)(F)F)(c3cccnc3)N12 962665938 LPXMEUJUHBPUHL-FGZHOGPDSA-N 443.425 3.494 0 1 IGAF Cc1cccc(C)c1[C@@]1(c2ccc(C3OCCO3)cc2)N[C@@H](C(=O)O)Cc2c1nn(C)c2C 962704951 DYXOQSHJDFNQPM-QFQXNSOFSA-N 447.535 3.282 0 1 IGAF C[C@@]12OC3(CCCCC3)OC[C@@H]1OC=C[C@]21N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963236959 SYFXSHNOBSLEJH-SWXWDQRWSA-N 436.508 3.407 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(C4CC4)nn3)c2)c2cncc(F)c21 1772592475 JSYZENUAIRTHQP-UHFFFAOYSA-N 447.474 3.490 0 1 IGAF Nc1cc(-c2cc(C3CCOCC3)cnc2N)ccc1C(=O)N[C@H](CO)c1ccccc1 1772617305 IJCGGJZHDNFIMZ-HSZRJFAPSA-N 432.524 3.270 0 1 IGAF C[C@]1(Nc2ccc(C(F)(F)F)cn2)CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1 1772643603 LLBYRKYILNTQEP-KXBFYZLASA-N 431.422 3.229 0 1 IGAF CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@H]1CSC(=O)C1)c1cccc(F)c1 13150669 GRIJHYHYGPHKFU-KUHUBIRLSA-N 429.517 3.489 0 3 IGAF CC/C=C/C(=O)N1C[C@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@H]1C(N)=O 13478694 FNMHNPKQIXJKQG-NGDYWKACSA-N 440.544 3.121 0 3 IGAF CCOc1ccccc1C1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CCOCC1 4296872 BOJHUWFILUGBKF-FYYLOGMGSA-N 440.496 3.053 0 1 IGAF C[C@H](C(=O)NCCCc1ccccc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 15955178 KFBQSOSJSGXHKX-QUGAMOGWSA-N 444.535 3.341 0 1 IGAF biogenic CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2cc(F)cc(F)c2)CCO1 27657855 ZAAVUNPFHZFKOA-MRXNPFEDSA-N 439.890 3.230 0 1 IGAF O=C1NC(=O)[C@@](CN2Cc3ccc(F)cc3C2=O)(c2ccccc2Oc2ccccc2)N1 62224955 BZUYBPJHIORQOF-XMMPIXPASA-N 431.423 3.309 0 1 IGAF COc1ccc2nc(C)cc(NC(=O)CN3C[C@H](CN4CCC(C)CC4)OC3=O)c2c1 72119759 XWRACLKCQQOYOK-SFHVURJKSA-N 426.517 3.043 0 1 IGAF O=C(CSc1nnc(-c2cccc(NC(=S)NCCO)c2)o1)c1ccc(F)cc1 73196179 WMWSQTHYYQOGLU-UHFFFAOYSA-N 432.502 3.129 0 1 IGAF CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]1C 95679656 YXTUUNAVVDQDQI-PNLZDCPESA-N 431.577 3.251 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(C(=O)C2CC2)C1 95796035 QUDXGWDOGGZITM-QHCPKHFHSA-N 445.563 3.226 0 1 IGAF COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)[C@H]3ON2c2ccccc2)c1 101521151 CEGXWHBGBGQDIW-FSSWDIPSSA-N 444.443 3.445 0 1 IGAF CC[C@@H](NC(=O)c1cc(C(=O)N[C@H](C)c2cnccn2)n2c1COCC2)c1ccccc1 143727171 OQBHJSSEIUNFQI-VQIMIIECSA-N 433.512 3.180 0 1 IGAF COc1ccc2cccc(CCNC(=O)C3CN(S(=O)(=O)c4ccc(C)cc4)C3)c2c1 169351156 NBNMHCSQQUOZAJ-UHFFFAOYSA-N 438.549 3.136 0 1 IGAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O)[C@](CO)(CCCCc2ccccc2)C[C@@H]3[C@@H]1C5 195258198 JBRYBMGMSNJGGN-FAOGIDCGSA-N 449.591 3.424 0 1 IGAF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586940313 ZNAVYJIIBSRQGL-ZETCQYMHSA-N 441.357 3.374 0 1 IGAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 586946630 SGHSCFKCTGCZPJ-CYBMUJFWSA-N 440.447 3.409 0 1 IGAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c(C(=O)N3CCC[C@@H](CO)C3)c1)CC2=O 587480622 DRZCLGRUNYOKPL-MYYSRTQBSA-N 426.513 3.398 0 1 IGAF CCOC(=O)C(=O)C[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774084 LGBKGGQMERGHON-FKIZINRSSA-N 435.293 3.283 0 1 IGAF CCc1cc(O)ccc1-c1ccc2c(-c3nc4c([nH]3)CCN(S(C)(=O)=O)C4)n[nH]c2c1 1772570825 KUKFSDIYNJXUBZ-UHFFFAOYSA-N 437.525 3.206 0 1 IGAF Cc1ncc(-c2nc(=NC3CCC(F)(F)CC3)[nH]c(=NC3CCC(F)(F)CC3)[nH]2)[nH]1 1857770229 OMGWTZOTCFNMGJ-UHFFFAOYSA-N 427.450 3.394 0 1 IGAF CC=C(C)C(=O)OC[C@](C)(O)[C@@H]1Oc2ccc3ccc(=O)oc3c2[C@H]1OC(=O)CC(C)C 2356383049 XECDMXMTNJQFPP-AKFKNWHVSA-N 444.480 3.445 0 1 IGAF CN(C(=O)OCc1ccccc1)[C@H](CCC(=O)OCC(Cl)(Cl)Cl)C(=O)O 2356876353 ZJVZPXYDHCJXOM-GFCCVEGCSA-N 426.680 3.402 0 1 IGAF COc1ccc(CCN2C(=O)COc3ccccc3[C@H]2C(=O)NC(C)(C)C)cc1OC 199208216 DGFXOLOXUGQQDM-QFIPXVFZSA-N 426.513 3.123 0 3 IGAF COC(=O)c1cc(NC(=O)c2cc(NC(=O)Cc3c[nH]c4ccccc34)cn2C)cn1C 1663019 ZLKCIVZUTQUPIN-UHFFFAOYSA-N 433.468 3.065 0 1 IGAF O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 4295752 DFWPLFRCNNLWHX-KPFFTGBYSA-N 429.879 3.356 0 1 IGAF Cc1c(C(=O)N2CCC(C)CC2)sc2ncn(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)c12 9501170 FFFXQAIWJSFOSA-IYBDPMFKSA-N 444.601 3.143 0 1 IGAF CCN(CC)C(=O)[C@H]1CCCN(C(=O)CC[C@@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)C1 11783525 IMCMYMXMRPKPPZ-YADARESESA-N 448.007 3.419 0 1 IGAF CCC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]([C@H](C)N2CCCC2)C1 13863716 MTYYYARFZLUVMG-KXBFYZLASA-N 426.388 3.470 0 1 IGAF Cc1cc(C)cc(NC(=O)CN2CCN(CC/N=C/C3=C(O)CC(C)(C)CC3=O)CC2)c1 22802335 AWIXRMJXFKVUII-WGOQTCKBSA-N 440.588 3.132 0 1 IGAF CN(C)C(=O)c1ccc(N2C(=O)O/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1 84619540 PSQOZUDHTBPGRC-YBEGLDIGSA-N 431.242 3.381 0 1 IGAF CN[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1 88260773 ASEYGQZFMNXZIV-ZEQRLZLVSA-N 428.598 3.255 0 1 IGAF COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3C(=O)c2cccc(F)c2)cc1 95893767 SBAZQVDXQOKTKY-SGNDLWITSA-N 446.478 3.464 0 1 IGAF CN(CCOc1ccc([C@H]2N(Cc3ccccc3)C(=O)C[S@@]2=O)cc1)c1ccccn1 96906211 NZCFSJWZAWEWED-QXNWPYRLSA-N 435.549 3.387 0 1 IGAF c1ccc(-c2csc3ncnc(N4C[C@@H]5C(COCCN6CCOCC6)[C@H]5C4)c23)cc1 146559798 XDCVPHGVHMXIQT-OALUTQOASA-N 436.581 3.389 0 1 IGAF O=C(NCCN1CCC2(CC1)C(=O)NC[C@@H]2c1ccc(F)cc1)c1cc2ccccc2[nH]1 198376342 MLJJFIFPBSIXMF-HXUWFJFHSA-N 434.515 3.033 0 1 IGAF CC(C)C[C@]1(O)C[C@@H](C)[C@@H]2[C@H]1C(=O)[C@@H]1[C@H]3[C@H](O)[C@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257498373 NXIUUQKBFNWMSY-FUIUSYRXSA-N 448.644 3.170 0 1 IGAF COC(=O)[C@@]1(Cc2cccc(OC)c2)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 299840939 WYHOQOVNZLAVDA-GGAORHGYSA-N 430.453 3.111 0 1 IGAF COC(=O)c1cc(Cl)c2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2c1 586945689 AERBQCPFQQLTFC-AWEZNQCLSA-N 449.916 3.127 0 1 IGAF NS(=O)(=O)c1cccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586961972 ZZUGDRIBRMVBAE-MUUNZHRXSA-N 425.535 3.249 0 1 IGAF CCCc1c(O)ccc2c1OC1(CC2=O)c2c(O)ccc(N)c2C(=O)c2c(N)ccc(O)c21 587473686 ZLSGDJHHJXFBPT-UHFFFAOYSA-N 446.459 3.374 0 1 IGAF Cc1ccc(C)c(OCCN[C@H](C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C 653833213 DUOWUNJYYPBDOW-LJQANCHMSA-N 439.600 3.055 0 1 IGAF CNC(=O)c1cc(Cl)cc(Nc2ncnc(N3CC(Oc4ccc(F)cc4)C3)n2)c1 1772600688 UNGWNLQMUGMARK-UHFFFAOYSA-N 428.855 3.035 0 1 IGAF NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@H]2c2cnn(-c3ccccc3)c2)cc1 1857649954 RFMKTDRALXEPIN-NRFANRHFSA-N 433.493 3.468 0 1 IGAF Cc1ccccc1CN[C@@H]1C[C@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1 2356350292 ZJHXJBSQXISWJE-VPBXCIAMSA-N 433.552 3.054 0 1 IGAF COc1ccc(CN(CCN2CCOCC2)C(=O)c2cc(Cl)ccc2F)cc1OC 201474113 QWFNEBBIMWYBKP-UHFFFAOYSA-N 436.911 3.471 0 3 IGAF C[C@@H]1Cc2cc(C(=O)[C@H]3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(O)c3)ccc2O1 1859290 YOEWXZBNIDXWIZ-AIYSXCBHSA-N 442.471 3.262 0 1 IGAF COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NCCOCCO 2483864 VUQRGXMGFHVBTF-UHFFFAOYSA-N 441.322 3.149 0 1 IGAF COc1cc2nc(N(C)CCCCCN(C)C(=O)c3ccco3)nc(N)c2cc1OC 27628138 OWJGAVHQAXPOIA-UHFFFAOYSA-N 427.505 3.201 0 1 IGAF Cc1nn(Cc2ccccc2)c(=O)c2nc(CCC(=O)O)n3nc(-c4ccccc4)cc3c12 28523137 SFQRKJCQNRVGOJ-UHFFFAOYSA-N 439.475 3.480 0 1 IGAF Fc1ccc(Nc2nc(NCCN3CCOCC3)nc(Nc3ccc(F)cc3)n2)cc1 28570858 XARHVILHYGKXGM-UHFFFAOYSA-N 427.459 3.381 0 1 IGAF COC(=O)c1cccc(C(=O)N2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1 36330609 RGNDRWVROQMEET-UHFFFAOYSA-N 439.556 3.346 0 1 IGAF O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(OC(F)(F)F)cc1 45389886 MIGGRYBADDWXIR-UHFFFAOYSA-N 442.337 3.203 0 1 IGAF COc1ccc(CCNc2cc(-c3ccc(OC)c(-c4nnn[nH]4)c3)nc(OC)n2)cc1 66102739 XVKNAKDNRLOTHB-UHFFFAOYSA-N 433.472 3.004 0 1 IGAF Cc1ccc(C(=O)NC2CC2)cc1-c1cc2nnc(-c3ccc(F)cc3F)n2n(C)c1=O 73198083 VJBQAADRGIODRJ-UHFFFAOYSA-N 435.434 3.241 0 1 IGAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1 82143124 VTZJNZPBWFPDHT-SFHVURJKSA-N 433.512 3.101 0 1 IGAF CC(=O)N1CCN(C(=O)c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2cccc(C)c2)CC1 82146329 DQQLFKLRTGKFFK-RTBURBONSA-N 435.572 3.239 0 1 IGAF CCn1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O 88345639 GNXOMEGQZKOXMN-UHFFFAOYSA-N 426.480 3.473 0 1 IGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)Nc4cc(F)ccc4F)C[C@@H]23)cc1 95795687 FYBYNSSMPJGTSZ-BNEDYOEESA-N 427.451 3.201 0 1 IGAF O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95866238 YVTZPJABQANEHK-JBRSBNLGSA-N 430.479 3.304 0 1 IGAF CC(C)Nc1cc(Nc2ccc3nsnc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O 219951858 NZVRNIFANGYCTN-QGZVFWFLSA-N 432.525 3.489 0 1 IGAF COC(=O)C12C[C@H]3C[C@@H](CC(NC(=O)CCn4sc5cccc(F)c5c4=O)(C3)C1)C2 299839063 XDUWQXFKFYXFAD-CFYSCFQDSA-N 432.517 3.220 0 1 IGAF COc1ccc([C@H]2[C@H]3COc4ccccc4C3=NN2c2ccc(S(N)(=O)=O)cc2)cc1 299869884 VOHLZLMXJGAAHT-REWPJTCUSA-N 435.505 3.317 0 1 IGAF COC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)CC[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587396838 WKXXFYDXEHWJJR-MHECFPHRSA-N 438.480 3.113 0 1 IGAF CCOC(=O)C[C@@]1(CCS(=O)(=O)c2ccc(C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587409781 UCXMAHMFZQAYOA-HSZRJFAPSA-N 445.537 3.407 0 1 IGAF CCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1O[C@H](C)C(=O)N(C)C 587427370 DHDMQDAWZUIPFU-MBSYMSIGSA-N 425.481 3.438 0 1 IGAF CS(=O)(=O)c1ccc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587658397 OXVZWEZRTHAYTL-UHFFFAOYSA-N 440.427 3.434 0 1 IGAF CCN1C(=O)[C@@H]2[C@@H](c3ccc(-c4ccccc4)cc3)N3CCCC[C@@]3(C(=O)OC)[C@@H]2C1=O 36386477 NDRABLCEBRWUEQ-IFOBJOEFSA-N 432.520 3.427 0 3 IGAF COc1ccc(CCCNC(=O)[C@]2(C)Cc3c(-c4ccc(C(N)=O)cc4)ccnc3O2)cc1 61906584 ZNYPMXZMAUTFMM-SANMLTNESA-N 445.519 3.299 0 3 IGAF CC(=O)[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)C(=O)c1cccs1 205859972 KVQBMKOBIMTGEN-HXUWFJFHSA-N 426.538 3.019 0 3 IGAF Cc1nonc1CN(C)C(=O)[C@H]1CC12CCN(C(=O)/C=C/c1cccc(Cl)c1)CC2 12078094 KLVPHAWVMIHENL-IPLHWJFFSA-N 428.920 3.332 0 1 IGAF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)[C@H](C)O 24799667 ZUWYQZGBCBSHFK-HSQYWUDLSA-N 428.529 3.141 0 1 IGAF in-vivo C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2NC(=O)CCC(=O)N(C)C)C1 29044610 ZCRJNMNWMYXWRH-OKILXGFUSA-N 438.366 3.374 0 1 IGAF COc1cc2c(cc1OC)-c1cc(Nc3cc(OC)c(OC)c(OC)c3)nc(=O)n1CC2 29246824 XLZCCFSZHNSHIE-UHFFFAOYSA-N 439.468 3.253 0 1 IGAF CS(=O)(=O)c1nc(-c2ccccc2)cn2c(-c3ccc(C(=O)NC4CC4)cc3)cnc12 72316959 TXILQOPEAQHTBA-UHFFFAOYSA-N 432.505 3.359 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N[C@H]3CCCC[C@H]3C)c(-c3cccc(C)c3)n2)CC1 82145324 VVQICLHVMYBLAZ-GCJKJVERSA-N 435.572 3.429 0 1 IGAF COc1ccc(S(=O)(=O)n2cc(C)c3cc(Cl)cnc32)cc1NC1CCNCC1 95566175 PHGXNVBAVWUXHN-UHFFFAOYSA-N 434.949 3.408 0 1 IGAF O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(NC[C@H]2CCCO2)nc1C1CCCC1 95578763 IHUQFLXGIKCLLM-NEUBFVDMSA-N 440.588 3.395 0 1 IGAF CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC)C[C@H](C)[C@H](OC)CN(C)C2=O 95688040 XSKPUOALZGMDOU-NPPFBWRTSA-N 448.608 3.434 0 1 IGAF O=C(CSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1)N1CCOCC1 100705660 CTOZAKPQJZOIHP-UHFFFAOYSA-N 438.484 3.321 0 1 IGAF COc1cc([C@@H]2OC[C@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@@]23OC(C)=O)ccc1O 100822175 ZVILPMKYRJCFAE-KKPKCPPISA-N 430.453 3.179 0 1 IGAF endogenous,in-man CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@H](Cc1ccc(OC)cc1)[C@@H](N)CC2 142942533 RQRVBVNZUOPMLY-GOTSBHOMSA-N 432.586 3.003 0 1 IGAF O=C(c1ccccc1-n1nccn1)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 261155222 PSWAVZZVHYHQBT-XWIAVFTESA-N 429.402 3.363 0 1 IGAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CC[C@@H](N)CC3)cc2F)cn1 473224145 GZQKKEKCXQCFNA-IYBDPMFKSA-N 441.532 3.080 0 1 IGAF O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2cnnc(O)c2[nH]1)OCc1ccccc1 587202467 DTHMMLNFANZPKQ-KRWDZBQOSA-N 447.451 3.160 0 1 IGAF CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587435703 IHFHFRZSBVPLSX-PXAQALGRSA-N 431.485 3.002 0 1 IGAF Cc1c(C(=O)N2CCN(C)CC2)sc2[nH]cnc(=Nc3ccc(F)cc3OC(C)C)c12 1857534605 DWTBUVUSQRMCFF-UHFFFAOYSA-N 443.548 3.479 0 1 IGAF CC(C)c1[nH]cnc1/C=c1\nc(O)/c(=C/c2cccc(Oc3ccc(F)cc3)c2)nc1O 1911574730 UZNOGTNHNUDDIX-ACXSEBCSSA-N 432.455 3.323 0 1 IGAF CCC(CC)CN1CCN(C(=O)CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1 13725833 YUSBOZBDPVTFGR-UHFFFAOYSA-N 439.560 3.144 0 1 IGAF Cc1sc2nc(SCCCN3CCN(c4ccccc4)CC3)n(N)c(=O)c2c1C 13761031 UYFBHRYVNUJWBI-UHFFFAOYSA-N 429.615 3.093 0 1 IGAF CC[C@@H](N[C@@H](CC(C)C)C(=O)N[C@H]1CCCCCCCCCCNC1=O)P(=O)(O)O 13890296 JANOCMLVAXHACE-FHWLQOOXSA-N 447.557 3.030 0 1 IGAF Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCC(Cc4ccccc4)CC3)cc2s1 20436615 RDHDEKWMHFVFHM-UHFFFAOYSA-N 443.594 3.364 0 1 IGAF CC(C)OC(=O)CN1Cc2cc(OCCCC(=O)N(C)C3CCCCC3)ccc2N=C1N 26274501 GXDYHVHACQTOFY-UHFFFAOYSA-N 444.576 3.350 0 1 IGAF COc1cccc(S(=O)(=O)NCCCNc2ncc(C(=O)c3ccccc3C)s2)c1 28461269 MSEYOSOAMOYBBP-UHFFFAOYSA-N 445.566 3.472 0 1 IGAF CC(=O)OC[C@@]12[C@H](OC(C)=O)C[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1CC[C@@]1(O)C(=O)OC[C@H]12 34746138 FIWHFYKYBPBZHK-KCQPBDOOSA-N 436.545 3.018 0 1 IGAF COc1ccc(-c2cc(-c3ccccc3)nc3ncnc(NC(=O)COCC(=O)O)c23)cc1 63539388 JCUOWWYFVWFJDW-UHFFFAOYSA-N 444.447 3.407 0 1 IGAF O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CCCC1 101584730 VMTZDIHMLVWUQZ-APMOYHJHSA-N 426.561 3.004 0 1 IGAF O=C1NC(=O)/C(=C/c2cnn3c(NCC4CC4)cc(Nc4ccc(F)c(Cl)c4)nc23)N1 117818808 QVRRGCSWOKYPIT-WCSRMQSCSA-N 441.854 3.268 0 1 IGAF CN1CC[C@H](C(=O)N2CC=C(c3ccc(NC(=O)N4Cc5ccccc5C4)nc3)CC2)C1 166253331 QSDSHJOYMJLHCC-QFIPXVFZSA-N 431.540 3.197 0 1 IGAF CS(=O)(=O)/C=C\c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 586925705 IBTXQRYWIBXUMR-FPLPWBNLSA-N 445.444 3.398 0 1 IGAF COC(=O)C[C@]1([C@H]2CCCN(C(=O)OC(C)(C)C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587434560 AQAARYZCXPBGFD-KPNPRUKOSA-N 445.512 3.392 0 1 IGAF CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593433 DEASCHMLMZJEDU-VVWXKSFDSA-N 428.437 3.245 0 1 IGAF C[C@@]1(c2ccc(O)c(NS(C)(=O)=O)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608129 OWWRXZCDWDJWLJ-KNQAVFIVSA-N 441.461 3.346 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587708211 ZYNKDNLXIRQRPV-VXJOIVPMSA-N 426.204 3.402 0 1 IGAF CCOC(=O)C(C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC 587800213 VZIDANWQHWCEOO-WLRWDXFRSA-N 430.314 3.470 0 1 IGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc2c1c(=O)n(C)c(=O)n2C 587860392 UZSYCAXGVSZNRR-UHFFFAOYSA-N 446.294 3.190 0 1 IGAF C[C@@H](C1=Nc2cccc(F)c2S(=O)(=O)N1c1ccccc1)n1cnc2c(N)ncnc21 1857558041 VHCMWAOBQYOQJG-LBPRGKRZSA-N 437.460 3.048 0 1 IGAF O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1CN(Cc2ccc(C(F)(F)F)nc2)c2ccccc2O1 1857751166 TVQYZXUSSRWKEA-IEZWGBDMSA-N 435.446 3.288 0 1 IGAF C[C@H](c1ccc(C=O)cc1)[C@@H]1[C@H]2C=C[C@H]3[N@]1[C@@]3(O)[C@@H]2[C@@H]1CC[C@@H]2C[C@@H](O)C3(CCCC3)[C@H]2N1 2356363094 GTUHSHPOSBVDFZ-INNKIBIOSA-N 448.607 3.222 0 1 IGAF O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(c2ncnc3c2nc2n3CCCCC2)C1 9211050 HLGUSANISRNTAH-CQSZACIVSA-N 425.924 3.456 0 3 IGAF CN(C)c1ccc(C2=NO[C@H](c3ccc(Cl)cc3F)[C@@H]2C(=O)N2CCOCC2)cc1 4045584 DKRYWSUQNDTGRV-TZIWHRDSSA-N 431.895 3.496 0 1 IGAF COC(=O)/N=c1/[nH]c2ccc([C@]3(O)c4ccccc4C(=O)N3c3ccc(F)cc3)cc2[nH]1 35902069 DCJZCPKBLJGGDU-QHCPKHFHSA-N 432.411 3.156 0 1 IGAF O=C(NC1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cc(=O)c2cc(F)cc(F)c2o1 36351856 ZHAIUYZIOBMBRX-UHFFFAOYSA-N 442.418 3.194 0 1 IGAF Cc1cn([C@@H]2C=C[C@@H](CO[P@]3(=O)OCc4cc(C(C)(C)C)ccc4O3)O2)c(=O)[nH]c1=O 58608830 YBHBUGPAORYSHF-WCMFBIDSSA-N 448.412 3.330 0 1 IGAF CN(C)CC(=O)NC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1 63539726 SLKCVFPEQGHNSI-UHFFFAOYSA-N 427.940 3.074 0 1 IGAF COc1ccc(C(=O)C2CCN([C@@H]3CN(C(=O)c4sccc4C)CC[C@H]3O)CC2)cc1 84689065 CWLJENNXCNJPSB-NHCUHLMSSA-N 442.581 3.235 0 1 IGAF O=C(Nc1nnc(-c2cncs2)s1)[C@H](Cc1ccccc1)NCc1cscn1 95557469 JOSQCIRAOBHESO-AWEZNQCLSA-N 428.568 3.458 0 1 IGAF CCCC(=O)N1CC2(C1)CN(Cc1ccncc1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 95664391 QAVOBFKJODHZQO-NRFANRHFSA-N 434.540 3.001 0 1 IGAF C/C=C/C=C/C[C@@H]1C[C@H](O)[C@H]2[C@@H]3/C(C)=C/[C@H]4C=C[C@@H](O)[C@@H](O)[C@@H]4/C(C)=C/C=C\[C@@H]3C(=O)N12 103241634 HFNMIOGEGCXSJX-BHBICBKASA-N 437.580 3.072 0 1 IGAF O=c1n(Cc2ccnc3ccccc23)cc(O)n1-c1ccc(S(=O)(=O)C(F)(F)F)cc1 169724685 RGQHJKQVLKIHIZ-UHFFFAOYSA-N 449.410 3.235 0 1 IGAF C[C@H](NC(=O)C1CC1)c1ccc(O[C@H]2CCN(c3ccnc(N(C)CC(F)F)n3)C2)cc1 261156244 PZAVORRBYNTKQS-KXBFYZLASA-N 445.514 3.423 0 1 IGAF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587231265 NCIQKBPYPRMIPE-CHWSQXEVSA-N 438.322 3.148 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587534475 DYVYMDCBHOYTNI-RUZDIDTESA-N 436.460 3.330 0 1 IGAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2ccc(S(=O)(=O)NCCC(=O)O)cc2)N1 962963793 XAWJPRFUQZANDF-MWTRTKDXSA-N 441.553 3.109 0 1 IGAF Cc1c(-c2nc3cnc(N4CCN(C)CC4)cc3n2Cc2ccccc2)cn(C)c(=O)c1C 1772598055 OXBMCQKRVPGWBO-UHFFFAOYSA-N 442.567 3.214 0 1 IGAF CCO[C@H]1O[C@@H](OCC)[C@@H](O)[C@@]1(O)CC[C@@]1(C)[C@@H]2CCC=C(C(=O)O)[C@@]2(C)CC[C@H]1C 2356486208 JFCPPPHVVNHFMB-FCWKTUOGSA-N 440.577 3.478 0 1 IGAF C[C@@]12C(=O)N(CCCO)CC(=O)N1C[C@H](c1ccc(Cl)cc1)c1c2[nH]c2ccccc12 2133310 KCZAYIHDXXYFAL-HOYKHHGWSA-N 437.927 3.235 0 1 IGAF biogenic Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NC[C@H]4CCCO4)nn3c2C)cc1 2458778 AFYYMIQYDQBAJX-GOSISDBHSA-N 425.558 3.028 0 1 IGAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC 4045179 ZSKGJGGEKNTERH-KUQJFUPOSA-N 439.556 3.376 0 1 IGAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)NCCN1CCOCC1 4310564 DLJOCENCDJKZHC-XZOQPEGZSA-N 447.576 3.166 0 1 IGAF O=C(NC[C@H]1CCCO1)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 9251630 LWBDABODBZSEBR-HSZRJFAPSA-N 433.556 3.170 0 1 IGAF O=C(c1ccccc1)c1ccc2nc(N3CCN(c4ccccn4)CC3)c3nncn3c2c1 20177182 CRIQORFKPOLWPV-UHFFFAOYSA-N 435.491 3.230 0 1 IGAF CCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(N)c1/C=C/C(C)(C)C 38151285 FOQUDYNARPVZJA-VAWYXSNFSA-N 431.558 3.455 0 1 IGAF CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3cnc(N4CCCC4)nc3)cc2n1 45257674 XMXREKQYAQTQSR-UHFFFAOYSA-N 443.515 3.298 0 1 IGAF CCOC(=O)[C@]1(C(=O)NCc2ccc(C)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95596611 RTVPASBYBBBJDN-MHECFPHRSA-N 427.497 3.374 0 1 IGAF COc1cccc(NC(=O)N2CC3(C2)[C@H](c2ccccc2)[C@H](CO)N3C(=O)C2CCC2)c1 95668412 UVYXSZYAFYLLBC-FCHUYYIVSA-N 435.524 3.069 0 1 IGAF O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(-c3ccc4[nH]ccc4c3)ccc1-2 142979843 NFUONRNKWZXWKG-HXUWFJFHSA-N 429.476 3.409 0 1 IGAF COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)NCCCN(C)C)cc4c3)n2)c1 144178285 STQUKANWJXPRRM-UHFFFAOYSA-N 445.527 3.454 0 1 IGAF Cn1nccc1[C@H]1CCCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1F 144218176 CEHAIZRVGILZFK-DYVFJYSZSA-N 449.483 3.394 0 1 IGAF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3ccn(C)n3)[nH]c12 205650116 RTXUCENRISOFAL-UHFFFAOYSA-N 441.499 3.074 0 1 IGAF O=C(Nc1ccc(-c2nc3c(O)nc(O)nc3[nH]2)cc1)c1ccc(Br)cc1 586983628 GTAUEWZAKFYQSB-UHFFFAOYSA-N 426.230 3.446 0 1 IGAF CS(=O)(=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1 587001359 YGRQPWKRJLQKFR-UHFFFAOYSA-N 435.255 3.208 0 1 IGAF C/C(=C/[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21)NNC(N)=S 587704238 IBNYLGDZXNWNKN-KNZYJOKMSA-N 441.292 3.122 0 1 IGAF CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(OCCF)cc2)cc1)P(=O)(O)O 653702471 ZUDLCPWNXNYUFW-SFHVURJKSA-N 431.422 3.140 0 1 IGAF CCCCOc1ccc(-c2nc(C(N)=O)c3nc(O)n(-c4ccccc4OC)c3n2)cc1 1772637670 UUJUQMLORZHXNW-UHFFFAOYSA-N 433.468 3.475 0 1 IGAF O=C(NCS(=O)(=O)O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772639924 RPASWYOPQZCWJE-PKNBQFBNSA-N 449.492 3.447 0 1 IGAF Cc1ccc(NC(=O)c2nnc(C(=O)Nc3ccc(OCC(=O)O)cc3)s2)cc1C 1857759888 FDWXBEDGFPJAHP-UHFFFAOYSA-N 426.454 3.123 0 1 IGAF O=C(Nc1ccccc1)N1CCc2c(cnn2Cc2cn(-c3ccc(F)c(F)c3)nn2)C1 1857760189 SPILQPNIMXIRIV-UHFFFAOYSA-N 435.438 3.381 0 1 IGAF COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccc(F)cc3)[C@H](O)[C@@H]2[C@H]1C 2356319450 HHGXTSXUJYDGEM-WOHZFYEXSA-N 448.579 3.033 0 1 IGAF CC=C(C)C(=O)O[C@H](C)c1nc(C(=O)NC=CC(=O)OC)cc2c1[nH]c1c(O)cccc12 2356622847 NUNQCWUWFIHFIO-CYBMUJFWSA-N 437.452 3.409 0 1 IGAF COc1cc2nc(N3CCC(C(=O)N4CCCCCCC4)CC3)nc(N)c2cc1OC 5141189 FAMYLEXGQNZAMZ-UHFFFAOYSA-N 427.549 3.238 0 1 IGAF COc1cc(OC)c(C[S@@](=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1 13605219 ICSDELHOOGLSSM-PMERELPUSA-N 427.482 3.063 0 1 IGAF CN1C[C@H]2C[C@@H]1CN2C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(Cl)cc21 13796234 CEQSWRIIVPWGJF-HUUCEWRRSA-N 443.935 3.309 0 1 IGAF O=C1CC[C@](CCC(=O)N2CCN(C3CCCC3)C(=O)C2)(Cc2ccc3ccccc3c2)N1 14882071 VLWANYRKHJCREE-MHZLTWQESA-N 447.579 3.425 0 1 IGAF COc1cc2c(cc1OC)[C@@](C)(c1cc(OC)c(OC)c(OC)c1)C1=C(COC1=O)N2C 40900420 LYFXEMOEIJEDAX-XMMPIXPASA-N 441.480 3.296 0 1 IGAF COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1nccc(-c2cnc3ccccn23)n1 72178208 TVELTFUDLWTOQQ-UHFFFAOYSA-N 443.511 3.212 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@@H](C)NC[C@H]1C 95687835 UZOQLJHIBIDYRE-XCGNWRKASA-N 443.519 3.172 0 1 IGAF CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCC)[C@H](C)CO2 95691940 RPQYAYCERJLDHX-HMFYCAOWSA-N 448.608 3.434 0 1 IGAF Cc1nc(N)nc(-c2cc(CN3CCOCC3)cnc2Nc2ccc3scnc3c2)n1 113239265 PLOOFUYVLXVIGB-UHFFFAOYSA-N 434.529 3.010 0 1 IGAF CCOC(=O)N(C)[C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1 140184886 JWMUJLIMKCOSBC-LJQANCHMSA-N 432.528 3.296 0 1 IGAF CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)[C@@H](O)CCCN3S(C)(=O)=O 149554434 CGWLLLRUYMVMJO-KRWDZBQOSA-N 432.473 3.192 0 1 IGAF CO[C@]12C=C[C@@]3(C[C@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1C)[C@H]2O5 169347765 XVYOYDMPQDIKGL-JEZBCSJNSA-N 425.569 3.410 0 1 IGAF O[C@@H]1CN(Cc2cccc(Br)c2)CC[C@H]1N1CCN(c2ccccc2)CC1 253640329 ZBAZGRKSPONLTP-FGZHOGPDSA-N 430.390 3.207 0 1 IGAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)Cn2ccc3ccc(Cl)cc32)CC1 261149394 ONSNPAVMVQKBMC-RZDIXWSQSA-N 425.982 3.298 0 1 IGAF COC(=O)c1ccc2nc([C@@H](CCSC)NS(=O)(=O)c3ccccc3)[nH]c2c1OC 586935514 INPOEOXDSXAMGY-MRXNPFEDSA-N 449.554 3.131 0 1 IGAF CN(C)S(=O)(=O)c1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587604902 AAYAHKNPZGWFLM-UGKGYDQZSA-N 425.462 3.345 0 1 IGAF N[C@]12C[C@@H]1CN(c1ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc1-c1cc[nH]n1)C2 1772587679 OWSNJCJWCCXWGC-XCLFUZPHSA-N 444.417 3.160 0 1 IGAF COC[C@@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cccc(Cl)c1 2356776161 UCGACOWBMZSORB-USNOLKROSA-N 437.053 3.448 0 1 IGAF CCN1CCC[C@H]1CNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C 4035471 MXMYVPDXUFOFOA-IBGZPJMESA-N 443.551 3.400 0 3 IGAF Cc1noc(C)c1CN1CCN2C=C(C(=O)Nc3ccc(-n4cccc4)cc3)OC2=NC1=O 205209586 LBGWVQKFDDLZJY-UHFFFAOYSA-N 446.467 3.186 0 3 IGAF CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCCOC 4041907 RFCBREJBWLAUBY-FYYLOGMGSA-N 425.529 3.396 0 1 IGAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4310611 HWIQHEBIQPUVAD-IMRHEYAYSA-N 445.560 3.455 0 1 IGAF CC[C@@H](C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O 29478411 UHUIYQVVRQZLAU-CYBMUJFWSA-N 429.527 3.070 0 1 IGAF COc1ccc2nccc([C@@H](O)CN3CCC(NCc4cc5ccccc5[nH]4)CC3)c2n1 45191005 YEDOIJMMFBRRGO-QHCPKHFHSA-N 431.540 3.407 0 1 IGAF C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(Cc2ccccc2)CCN1C 45254684 OBMROJSOWJZLLA-CVDCTZTESA-N 427.556 3.432 0 1 IGAF O=C(NCc1ccc(F)cc1)c1c(C(F)(F)F)nn(Cc2cccs2)c(=O)c1O 84729495 ANYMRQFPGKPEEC-UHFFFAOYSA-N 427.379 3.147 0 1 IGAF O=C(Cc1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2C(=O)Cc1ccccc1 95667561 OZBOLDOUUSVTSK-SQHAQQRYSA-N 440.543 3.040 0 1 IGAF Cc1ncccc1Nc1ncnc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)C2CC2)c1C 103232117 OHBYIWNTLDJBPZ-FVQHAEBGSA-N 429.546 3.098 0 1 IGAF COc1ccc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c(OC)c1 167292934 HGZLWHCALBQEEU-UHFFFAOYSA-N 447.535 3.229 0 1 IGAF COC1CCC2(CC1)Cc1ccc(OCC(F)(F)F)cc1[C@@]21N=C(N)N(CCF)C1=O 169700453 GCNZQNXCFKMJOJ-RGDIOKHHSA-N 443.441 3.081 0 1 IGAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C4=CC(=O)OC4)C(=O)C[C@]32O)C1 254092499 JIOXQMJNOROPDA-IQRZKCSJSA-N 430.541 3.354 0 1 IGAF CC1(C)C(=O)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@]13C(=O)[C@@H](CNc4ccccc4)[C@H](CC[C@@H]21)[C@H]3O 299833511 YIISYPLNQSIPLQ-BTESHPMTSA-N 425.569 3.447 0 1 IGAF CC(C)[C@@H]1CC(=O)N(C[C@H]2CC[C@H](C(=O)N3CCN(c4ccccc4)CC3)CC2)C(=O)N1 299864216 QWAPSSBMNTVLRZ-ONTIZHBOSA-N 440.588 3.108 0 1 IGAF COc1ccccc1[C@@H]1[C@@H]2COc3ccccc3C2=NN1c1ccc(S(N)(=O)=O)cc1 299865785 OCQMWZOKFRUMPZ-AUSIDOKSSA-N 435.505 3.317 0 1 IGAF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 586939208 RUEDESDVTNSXDA-MRXNPFEDSA-N 443.934 3.139 0 1 IGAF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4c(O)nc(S)nc4[nH]3)CC2)cc1 586955872 YADBQWXYXLSBER-UHFFFAOYSA-N 433.559 3.039 0 1 IGAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3c(N)cccc3C(=O)O)[nH]c2c1 587249777 JJGMDKHVQUVEQQ-UHFFFAOYSA-N 438.465 3.320 0 1 IGAF COc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587354101 TZUUYYMLJSCGIX-URXFXBBRSA-N 440.423 3.114 0 1 IGAF N=C(NCCCc1ccccc1-c1ccccc1)NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1 653846539 MVOYPHRGHGAGSW-QHCPKHFHSA-N 444.535 3.195 0 1 IGAF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](c2ccccc2CN2CCOCC2)(C2CC2)N1 963238644 VRQGSZODKZUGRD-VPUSJEBWSA-N 443.547 3.320 0 1 IGAF O=C(C1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCC[C@@H](Cc2ccccc2)C1 1857562274 JEPQPWSPGBVSOE-QFIPXVFZSA-N 449.599 3.011 0 1 IGAF COc1ccc(C(=O)N2CC[C@H]3CC(=O)N(Cc4ccc5c(c4)OCO5)CC[C@@H]3C2)cc1 2356858008 SOUGBPSPZXPGRX-VQTJNVASSA-N 436.508 3.325 0 1 IGAF CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2cc(C(=O)NCc3cccnc3)no2)cc1 61902391 WRYOPASWWILHNT-NRFANRHFSA-N 447.495 3.325 0 3 IGAF COc1c(Br)cc(Br)c(CCNC[C@@H](C)O)c1Br 13407388 NPRBTDVEJQEGKD-SSDOTTSWSA-N 445.977 3.496 0 1 IGAF biogenic O=C(CC[C@H]1CCc2cc3c(nc2C1)NCCC3)NC[C@@H](C(=O)O)c1ccc2c(c1)OCC2 13860643 ZIYZOTDZIZBOGY-IIBYNOLFSA-N 449.551 3.244 0 1 IGAF C[C@H](C(=O)NCCc1ccc(F)cc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 15954261 YNRUNZYNJNHUAC-BZQUYTCOSA-N 448.498 3.090 0 1 IGAF biogenic CNC[C@@H](c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 22939252 QWIGHXLBCAYGOR-SANMLTNESA-N 443.599 3.260 0 1 IGAF Fc1ccc([C@@H]2C[C@@H](N3CCN(CCN4CCNC4=S)CC3)c3ccc(F)cc32)cc1 22940824 AVOSQJJHXGCJIZ-JTHBVZDNSA-N 442.579 3.349 0 1 IGAF OCCN1CCN(CCCN2c3cc(Cl)ccc3Sc3cc(O)c(O)cc32)CC1 39208348 VIMOOIPASKTXFX-UHFFFAOYSA-N 435.977 3.354 0 1 IGAF C[C@@H](c1ccncc1)N1CCC(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1 62225209 QIOPJCKBSIHRGX-SFHVURJKSA-N 433.556 3.361 0 1 IGAF COc1ccc(-c2nc3c(NCc4ccc(F)cc4)ncnc3n2CCNC(C)=O)cc1 82185394 PNBZBNSBASPAPP-UHFFFAOYSA-N 434.475 3.389 0 1 IGAF O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)C[C@H](CC1CCCCC1)N2)C1CC1 82212632 NZORQECVSNEVOF-IBGZPJMESA-N 440.519 3.310 0 1 IGAF COc1cccc(NC(=O)N2CC(=O)N3[C@@H](CO)[C@H](c4ccc(C5=CCCC5)cc4)[C@@H]3C2)c1 95797597 CXDBYTLNSJYCTB-SONWIMMPSA-N 447.535 3.466 0 1 IGAF O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3C(F)F)nc12)N1CC(O)C1 118400315 WPFWKUYRUAHZEG-QGZVFWFLSA-N 446.433 3.356 0 1 IGAF NC1=N[C@@](c2cc(NC(=O)c3ncc(Cl)cc3F)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 213840539 AHHFKZDNWUAGLE-CRPGXEFLSA-N 428.773 3.459 0 1 IGAF CNC(=O)n1nc2c(c1C)[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c3nnc(C)n3c1)C2=O 261178015 VJIUYADBWVTBNH-LJQANCHMSA-N 449.902 3.442 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587174219 GSFYOAIHKFQARA-KRWDZBQOSA-N 429.521 3.456 0 1 IGAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccccc1S(=O)(=O)N1CCOCC1 587872025 HBFMTYLYCGEEIP-UHFFFAOYSA-N 431.489 3.098 0 1 IGAF COc1ccc(S(=O)(=O)NCCc2cccc3ccccc23)cc1N1CCN(C)CC1 653723549 PTKLNFTZLGQRAY-UHFFFAOYSA-N 439.581 3.121 0 1 IGAF CN1C(=O)C[C@@H]2CN[C@@]3(C(=O)c4c(O)cc(O)cc4O[C@@H]3c3ccccc3)c3cccc1c32 963036620 ULMVJAVYZXKFQW-ZDEBZOIISA-N 442.471 3.363 0 1 IGAF Cc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCNCC4)c(Cl)c3)sc2n1 1857591182 YJDYLCPFDNOPDK-UHFFFAOYSA-N 447.967 3.362 0 1 IGAF Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1[C@H](c2ccc(C(F)(F)F)nc2)C[C@@H](O)[C@H]1O 2356286716 MVWCMZQHOBYDSA-KQEPKPNTSA-N 447.413 3.072 0 1 IGAF COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1 4143307 MJMOFPKCZWOZMM-UHFFFAOYSA-N 441.509 3.085 0 3 IGAF O=C(NCCN1CCOCC1)[C@@]1(C(F)(F)F)C/C(=C\Cc2ccccc2)CCCO1 13829098 HYAWSCSTPPFRAZ-WQLLJXGDSA-N 426.479 3.106 0 3 IGAF Cc1cccc(C)c1-n1nnnc1[C@@]1(C)Cn2nccc2C(=O)N1Cc1ccc(F)cc1 203465735 QXSQAEVUDVWMBJ-HSZRJFAPSA-N 431.475 3.186 0 3 IGAF Cc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3Br)c2N)c1C 8595427 SALQUHPUAYDTFA-UHFFFAOYSA-N 443.305 3.131 0 1 IGAF Cc1cc(O)cc(C)c1C[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)N1CCCCC1 13802622 QMMIRGCJXAXRAM-ZEQRLZLVSA-N 436.552 3.444 0 1 IGAF Cc1ccc(S(=O)(=O)n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc32)cc1 36474210 PIVHLTZLZQGTGW-UHFFFAOYSA-N 445.500 3.420 0 1 IGAF COC(=O)c1c(O)cccc1O[C@H](CO)CCc1cc(-c2cc(C(=O)O)no2)ccc1F 43075105 WTZBZHJNANDWQI-AWEZNQCLSA-N 445.399 3.044 0 1 IGAF Cc1cnc(Nc2cc(N3CCN(C)CC3)nc(N[C@@H](C)c3ccc(F)cn3)n2)s1 43200596 RIZYPSQRIHNRNS-AWEZNQCLSA-N 428.541 3.444 0 1 IGAF CCCS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc(N)c(Br)c2)c1F 73198117 OJZKGEWGLIEDBZ-UHFFFAOYSA-N 449.277 3.109 0 1 IGAF in-vitro COc1cc2nc(N3CC[C@@H](NC(C)=O)C3)nc(NCc3ccc(C)cc3)c2cc1OC 82130807 UEPINVXUTPSVLH-GOSISDBHSA-N 435.528 3.282 0 1 IGAF COCCCN(C(C)=O)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCCC3)cc21 82171889 SXYLALRKOIEVKU-JOCHJYFZSA-N 445.604 3.390 0 1 IGAF NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1Nc1nc(Nc2cnn(Cc3ccccc3)c2)ncc1Cl 84688439 ZGMGZBILRTWEQE-LVFSCSRESA-N 435.919 3.206 0 1 IGAF Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2[C@H]1CC[C@H](OCO)CC1 101675261 SUGLTXJBYXYKFN-HDICACEKSA-N 431.496 3.347 0 1 IGAF O=C(N[C@@H]1CCCN(Cc2ccccc2F)C1)N1CCc2[nH]nc(-c3ccncc3)c2C1 114630953 BVHFRXOVGUDMBM-LJQANCHMSA-N 434.519 3.343 0 1 IGAF CC(C)Oc1ccc2c3c(oc2c1)C(C)(C)c1cc(OC[C@@H](O)[C@H](O)CO)ccc1C3=O 114801937 BMSRTBYIHJPLHL-WOJBJXKFSA-N 440.492 3.183 0 1 IGAF O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCOCC1 169324542 OHSSJAOWYLQWKW-UHFFFAOYSA-N 434.315 3.062 0 1 IGAF C[C@H]1Cc2cc(C(=O)[C@H]3C(=O)C(=O)N(Cc4cccnc4)[C@@H]3c3cccc(O)c3)ccc2O1 169690307 YOEWXZBNIDXWIZ-UQDCGMOVSA-N 442.471 3.262 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCCO[C@H]2Cc2noc(-c3ccc(F)cc3)n2)c1 210628598 XIBNNBMLUUIACY-NRFANRHFSA-N 448.458 3.196 0 1 IGAF COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2ccccn2)[C@@]12C(=O)Nc1cccc(F)c12 1772631993 KTXSQNVBJSKSGH-NPGVVQFXSA-N 425.460 3.118 0 1 IGAF CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@H]1c1c(Cl)cccc1Cl 1857552426 VZEAHSYFWNNGTO-INIZCTEOSA-N 428.297 3.273 0 1 IGAF Nn1c(CCCCN2CCN(c3ccccc3)CC2)nc2c(sc3ccccc32)c1=O 1857614591 PMVUYMPMCIMQBK-UHFFFAOYSA-N 433.581 3.470 0 1 IGAF CC(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3C(=O)C[C@]12C 27518966 UHWOAYITUVVFCV-AJGIOPMESA-N 434.529 3.226 0 1 IGAF CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2ccccc2c1 27867065 NJKVBDUEQPKOLV-HSZRJFAPSA-N 428.536 3.402 0 1 IGAF Cc1ccc(O)cc1Nc1cc(NN2CCN(C)CC2)nc(-n2cnc3ccccc32)n1 28604236 YGIOZEDCNGHXBE-UHFFFAOYSA-N 430.516 3.147 0 1 IGAF CC(=O)Oc1ccccc1C(=O)OCOC(=O)c1ccc(SCCCO[N+](=O)[O-])cc1 43120088 TYHZLUOVRXEUFS-UHFFFAOYSA-N 449.437 3.274 0 1 IGAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCSCC1)c1ccc(C(F)(F)F)cc1 43527249 JLAADIUSTBPTDX-ZIFCJYIRSA-N 427.536 3.194 0 1 IGAF biogenic COc1ccc(CN(Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(O)cc2)cc1 59084763 HDSUWTJWYAVGPB-UHFFFAOYSA-N 427.478 3.490 0 1 IGAF CN(CCCOc1ccc2c(c1)c(CC(=O)O)cn2CC(=O)O)c1nc2ccccc2o1 71341574 QXQSBQSVEFTTOS-UHFFFAOYSA-N 437.452 3.400 0 1 IGAF Cc1cccc(-c2nc(N3CCC[C@@H](C(N)=O)C3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 82146389 LHPKLWMJULROMO-WSTZPKSXSA-N 435.572 3.272 0 1 IGAF CCOC(=O)[C@@]1(C(=O)NCCc2ccccc2F)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95593651 RGEJLLUAOKLHFK-OSPHWJPCSA-N 445.487 3.247 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C)C[C@@H]1C 95679222 FKUUEJXYVSQQBY-HOIFWPIMSA-N 431.577 3.251 0 1 IGAF OC12C[C@@H]3C[C@@H](C1)CC(Nc1nc(N[C@H]4CC[C@H](O)CC4)ncc1Br)(C3)C2 101450612 FGYLHONNVFJRIG-CNJAWSQJSA-N 437.382 3.450 0 1 IGAF Cc1nc(N)nc2c1cc(-c1cnc3ccccc3c1)c(=O)n2[C@H]1CC[C@@H](OCO)CC1 101675285 SUGLTXJBYXYKFN-IYARVYRRSA-N 431.496 3.347 0 1 IGAF CNC(=O)c1cc(Nc2ncnc(N3CC(Oc4ccc(Cl)cc4F)C3)n2)ccc1F 118586703 IUHBJXJOHBBJTB-UHFFFAOYSA-N 446.845 3.174 0 1 IGAF CC(C)C[C@@H](Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccccc1 205039185 MMAIRWPFEVMFJP-LVSMMTLPSA-N 446.515 3.078 0 1 IGAF N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cnncc4[nH]2)cn3C2CC2)C1 587172256 DTNSYWBJZWNHQQ-CYBMUJFWSA-N 433.491 3.126 0 1 IGAF O=C1Oc2ccccc2C(=O)[C@@H]1[C@@H](Cc1ccc2c(O)nc(O)nc2n1)c1ccccc1 587563296 RAAJSLUHRCSADC-HKUYNNGSSA-N 427.416 3.180 0 1 IGAF Nc1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ncn1 1772620504 RNENSPXLMHXQGH-UHFFFAOYSA-N 425.395 3.487 0 1 IGAF C=CC(=O)N1CCN2c3ncnc4cc(-c5c(O)cccc5F)c(Cl)c(c34)OC[C@@H]2C1 1857555759 STOKWFBCCGTMFZ-LBPRGKRZSA-N 440.862 3.391 0 1 IGAF CN1CC[C@@]2(CCN(c3ncc(-c4ccc5c(N=c6cncc[nH]6)ccnc5c4)cn3)C2)C1 1857582551 VOKBFPYJGFPGFD-RUZDIDTESA-N 438.539 3.179 0 1 IGAF C[C@@H]1OC2(CCN(CCc3ccccn3)CC2)CN(c2cnccc2C(F)(F)F)C1=O 1857592557 DBYOLMQXHPITEO-INIZCTEOSA-N 434.462 3.324 0 1 IGAF COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(Cc3cnc(C)[nH]3)sc21 1857597964 AIZFHHDXTKKITF-UHFFFAOYSA-N 438.553 3.045 0 1 IGAF Cc1cccc(CNC(=O)c2nn(CCO)c3c2CN(Cc2c[nH]c4ccccc24)CC3)c1 1857609312 URSCQDBITYKHCI-UHFFFAOYSA-N 443.551 3.153 0 1 IGAF COc1cc(C=C2C(=O)OC[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1O 2356505405 CZLLEPKEWJTTCK-OAHLLOKOSA-N 430.453 3.234 0 1 IGAF COc1cccc(N2CCN(C(=O)c3cccn4c(=O)c5c(C)c(C)sc5nc34)CC2)c1 4767697 DMDJFBUKTQRTRT-UHFFFAOYSA-N 448.548 3.497 0 3 IGAF C[C@@H](CCN1CCC(CN2C(=O)C(=O)NC[C@@H]2Cc2ccccc2)CC1)c1ccccc1 61936171 JBDOCCQTOLNFIH-OFVILXPXSA-N 433.596 3.462 0 3 IGAF O=C([C@@H]1CCCN1S(=O)(=O)c1cccc2ccccc12)N1CCN(c2ccccc2)CC1 201442884 UAUKRQZJTKCZLI-QHCPKHFHSA-N 449.576 3.342 0 3 IGAF Cc1nc(-c2c3n(c4c(N5CCN(CCc6ccccc6)CC5)ncnc24)CCCC3)no1 13559645 TVIMLLXCVONVMK-UHFFFAOYSA-N 443.555 3.491 0 1 IGAF CCOC(=O)C1=C[C@H]2C(=O)c3ncccc3C(=O)[C@H]2C(c2ccc(Br)cc2)=N1 27994976 YFNUDWQHKLFPDN-GDBMZVCRSA-N 439.265 3.405 0 1 IGAF O=c1n(Cc2nnc(SCc3cccc(F)c3)s2)nnn1-c1ccc(Cl)cc1 28647671 RVNIHHZDBOKOMW-UHFFFAOYSA-N 434.909 3.414 0 1 IGAF COC(=O)[C@@H]1C[C@H](NC(C)C)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 36221576 JBDNNHQZUREDCQ-WFOQEEKOSA-N 431.529 3.435 0 1 IGAF COc1ccc(CNC(=O)N[C@@H]2CCN(c3ccnc(Nc4ccc(OC)cc4)n3)C2)cc1 45195165 NLZFLYXUYNIEBG-LJQANCHMSA-N 448.527 3.316 0 1 IGAF CC(C)(C)CCNc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](Cc1ccccc1)N2 82205243 VJDLYTHYFKGXTD-FQEVSTJZSA-N 433.556 3.338 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](O)c1ccccc1 82209321 IQHQROSRRLUXPS-URMDPOSBSA-N 428.573 3.369 0 1 IGAF COCCC[C@H]1Oc2ccc(OC)cc2[C@H](O)[C@@H]1[C@H]1COc2ccc(OC)cc2[C@H]1O 85592990 DMYFUDDBZJBVLC-JXIQEMPDSA-N 430.497 3.283 0 1 IGAF biogenic,in-vitro COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(Cc1cccc(Cl)c1)CC31CN(C(C)=O)C1 95868873 XCRAIVSVRZYRIC-OAQYLSRUSA-N 439.943 3.479 0 1 IGAF O=C(C1CCCCC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)NC1CCCC1 95869475 MEPPPDSSUVVJJF-FGZHOGPDSA-N 425.573 3.260 0 1 IGAF CCOC(=O)[C@H](C#N)[C@H](c1cc2ccccc2n2nnnc12)P(=O)(OCC)OCC 140059813 UKEVZTPESGYJIL-WBVHZDCISA-N 431.389 3.288 0 1 IGAF CS(=O)(=O)c1cccc(-c2cccn3nc(Nc4ccc(N5CCOCC5)cc4)nc23)c1 148211699 ABAZBGAFXDSPNU-UHFFFAOYSA-N 449.536 3.380 0 1 IGAF COc1ccc2c(c1OC)COc1c-2oc2c(OC)c(OC)c(OC)c(OC)c2c1=O 238775820 HVHWZRDIXKDFIE-UHFFFAOYSA-N 430.409 3.404 0 1 IGAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 586946558 RLVZFRFQEISKNG-NSHDSACASA-N 425.432 3.413 0 1 IGAF COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 586960682 NVFJHXJCDCMHKU-CCKFTAQKSA-N 440.525 3.439 0 1 IGAF CN(C)S(=O)(=O)c1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167649 PLTZCHZCXYJPDQ-GOSISDBHSA-N 431.493 3.321 0 1 IGAF CC(=O)OCCN(CCOC(C)=O)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587388276 ZMXJKCAANWETTD-QHCPKHFHSA-N 440.496 3.216 0 1 IGAF Cc1cccc([C@@]2(CS(C)(=O)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587852279 ZMTJKYZJXPIOBE-KZULUSFZSA-N 427.339 3.114 0 1 IGAF CC(C)c1nn(C)c2c1[C@]1(CC(=O)[C@H](n3cncn3)[C@@H](c3cc(F)ccc3F)C1)NCC2 962921395 SYFBFFNDWRPFIZ-AVIJNYRZSA-N 440.498 3.142 0 1 IGAF O=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3ccc4ccccc4n3)CC2)N1 1857571347 VPAYUEPNTGNAHG-HXUWFJFHSA-N 431.418 3.434 0 1 IGAF CC(=O)OC[C@]12CCC[C@@H]3[C@]4(C[C@H](c5ccoc5)OC4=O)[C@H](C)C[C@@H](OC(C)=O)[C@@]31CO2 2356688996 USJOKJNZACCFKR-WPSRDOLOSA-N 446.496 3.344 0 1 IGAF Cn1c(C(=O)N2CCC[C@@H](C(=O)NCc3ccc4c(c3)OCO4)C2)cc2sccc21 6577149 JAOFEKZQJPHLNB-OAHLLOKOSA-N 425.510 3.137 0 3 IGAF CN(CCNC(=O)[C@H]1CCC(=O)N(Cc2ccc(Cl)cc2)C1)CCc1ccccc1 12835628 CAFNIKCHZMPTLO-NRFANRHFSA-N 427.976 3.369 0 3 IGAF Cn1nnnc1-c1cccc(NC(=O)NCCCN2CCC[C@H](c3ccc(F)cc3)C2)c1 28332692 ZSIXZKCCHQEIRD-IBGZPJMESA-N 437.523 3.407 0 1 IGAF O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2cccc(Oc3ccccc3)c2)N1 62224959 ZQEAQUSWNZXSRY-DEOSSOPVSA-N 431.423 3.309 0 1 IGAF CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3C[C@H]4CN[C@H]4C3)c2c1Cl 95592304 JVBZZZXIXXRWOJ-YGRLFVJLSA-N 438.948 3.071 0 1 IGAF Cc1cc(OCc2cnnn2-c2cccc(C(N)=O)c2)c(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21 95597618 QZOFHBKDZBKLQS-MHALITNNSA-N 446.507 3.358 0 1 IGAF O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccc(F)c1 95894692 IRGPAELJLNMAJN-OYRHQHFDSA-N 430.479 3.384 0 1 IGAF N#Cc1c(N)nc(SCc2cccc(C(=O)NCCN)c2)c(C#N)c1-c1ccccc1 113399085 VPILLSACNTZHIJ-UHFFFAOYSA-N 428.521 3.055 0 1 IGAF COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(C)C)CC2)c(=O)n4C)cn1 118550109 BZRKTLGOTQBGHQ-UHFFFAOYSA-N 432.528 3.399 0 1 IGAF COc1nc(-c2cccc(C(C)(C)O)c2)nc(=NCCc2ccc(OC(F)F)cc2)[nH]1 473179364 FTYIVBVOAOEGSI-UHFFFAOYSA-N 430.455 3.453 0 1 IGAF Cc1cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2cc1Br 587227775 WSLOSDSZXBCWKQ-UHFFFAOYSA-N 431.290 3.176 0 1 IGAF Cn1ncc(I)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567967 GHQMFRJIKYCUMP-KDOFPFPSSA-N 448.216 3.433 0 1 IGAF CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OCC(N)=O 587746862 ILGASOYBYFNOGZ-PRWKNARSSA-N 437.309 3.475 0 1 IGAF CC(=O)Nc1nc2c(s1)[C@]1(CC(C)(C)C2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963236005 SMXDNQVCSVFUQS-UZUQRXQVSA-N 436.537 3.465 0 1 IGAF CNC(=O)c1cccc(Nc2ncnc(NCCc3nnc(-c4ccc(C)s4)o3)n2)c1 1772571318 NVLGXKVORVDEIE-UHFFFAOYSA-N 436.501 3.049 0 1 IGAF C=CC(=O)N1CCc2[nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn3c2CC1 1772643751 BDVJOHVRDUTBJD-UHFFFAOYSA-N 441.491 3.334 0 1 IGAF CN(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)CCCCc1ccccc1 1857613769 UBOMZXQDEVIMIE-UHFFFAOYSA-N 444.597 3.121 0 1 IGAF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 2356496859 PXQRJZNDFRAFTF-MHJWSKGESA-N 448.556 3.003 0 1 IGAF Cc1ccc2[nH]c(=O)c(CN(C[C@H]3COCCO3)C(=O)Nc3ccccc3F)cc2c1 13570932 LLVSRJMQBQEJSL-SFHVURJKSA-N 425.460 3.425 0 3 IGAF CN(C[C@H](C(=O)O)c1ccc2c(c1)OCC2)C(=O)CCCCc1ccc2c(n1)NCCC2 13860635 CKABJNNBXOFZHJ-NRFANRHFSA-N 437.540 3.414 0 1 IGAF Brc1cccc(Nc2ncnc3cnc(NCCCN4CCOCC4)nc23)c1 21289208 AKSMEOTWWFYYSQ-UHFFFAOYSA-N 444.337 3.060 0 1 IGAF CN(C)Cc1ccc(/C=C/c2ncccc2C(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1 26467177 OXQKFIHVHFGYRB-DKUDOZJNSA-N 428.536 3.140 0 1 IGAF CC[C@@H](NC(=O)N1CC(=O)NC[C@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccccc1 28895032 NRABXXLHOILLKP-PKOBYXMFSA-N 443.931 3.327 0 1 IGAF CCCNc1nc(NC(=O)c2cccc(I)c2)c2ncn(C)c2n1 29411015 FORRQBUVICVFDG-UHFFFAOYSA-N 436.257 3.042 0 1 IGAF CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1C[C@H](O)COc1ccccc1OC 40763370 GWPHMGZIJLZJPK-KRWDZBQOSA-N 426.469 3.184 0 1 IGAF COc1ccccc1CCNc1nc(N2CCN(C)CC2)nc2cc(OC)c(OC)cc12 82127549 SGPNPLFCIODPDX-UHFFFAOYSA-N 437.544 3.062 0 1 IGAF CCCCS(=O)(=O)NC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)nc1 169707488 RHARVCJGBVKURN-UHFFFAOYSA-N 429.498 3.484 0 1 IGAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)c(OC)c2)[C@]12C(=O)Nc1ccc(Cl)cc12 473151857 RTISTHOUCXSOBT-HMFYCAOWSA-N 429.856 3.239 0 1 IGAF NC(=O)c1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1 586954705 NOCTUKUTRWJIMG-UHFFFAOYSA-N 434.521 3.383 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3nc(Cl)cnc3Br)[nH]c2c1 587005409 HUQGFBQDXQMUNR-UHFFFAOYSA-N 444.742 3.466 0 1 IGAF Cc1cc(CC2CCN(C(=O)c3cccc(N4CCCCS4(=O)=O)c3)CC2)ccn1 618017127 FBXQIOQPXYDSGI-UHFFFAOYSA-N 427.570 3.415 0 1 IGAF COc1cc2c(cc1OC)CN(C(=O)CCn1sc3nc(C)cc(C)c3c1=O)CC2 1772639887 AKRMHZAKOUMKRI-UHFFFAOYSA-N 427.526 3.067 0 1 IGAF C[C@@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12NC[C@H](CO)C[C@H]2O 2356557863 DWHZMCMBSAKZFV-YVVZXQOYSA-N 445.644 3.230 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC(C)=O)C[C@@H]2CC[C@H](OC(C)=O)[C@H](C)[C@@]21C 2356670285 JCLSIIMGJPBTMP-DQYQYEQQSA-N 448.512 3.385 0 1 IGAF Cc1nc2ccccc2n1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 1330294 MITSVFMTYBLYIG-UHFFFAOYSA-N 433.555 3.146 0 3 IGAF CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1Cc1ccc(F)cc1 199354820 RPUZLXJUHLBSEB-SFHVURJKSA-N 429.536 3.375 0 3 IGAF COc1ccc([C@@H]2Oc3c(OC)cc4ccc(=O)oc4c3O[C@@H]2COC(C)=O)cc1OC 13400196 UQRCZVRHEJVEMI-QUCCMNQESA-N 442.420 3.263 0 1 IGAF biogenic C[C@@]12O[C@@H](C[C@@H](N)[C@@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O 14714874 ZTXLQQYIZJOJCW-FGBNLJSLSA-N 438.487 3.439 0 1 IGAF biogenic Cc1nn(-c2ccc(F)cc2)c2c1CN(C(=O)C[C@H](N)Cc1cc(F)ccc1F)CC2 14948945 WTERGPOYKAATRS-GOSISDBHSA-N 428.458 3.443 0 1 IGAF COCC(=O)NC[C@H]1C[C@H]2CCN1C[C@@H]2c1cc(-c2ccc(C(F)(F)F)cc2)nc(C)n1 43528166 HFSRMGGFELMEGU-QRQLOZEOSA-N 448.489 3.411 0 1 IGAF biogenic OC[C@H]1O[C@H](n2c(SCc3ccccc3)nc3c(Cl)cc(Cl)cc32)[C@H](O)[C@@H]1O 49017508 DETKQVQLXZQZRN-DDBAPUKQSA-N 441.336 3.247 0 1 IGAF COC(=O)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCC1 95880975 HYFNOMSTZBWCAG-LEMXFOSTSA-N 448.563 3.346 0 1 IGAF NC(=O)c1cc(N2CCC(C(N)=O)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 114592921 WALZPLZHTGERKR-UHFFFAOYSA-N 434.471 3.481 0 1 IGAF COC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1ccccc1C(F)(F)F 138063149 AXLARAVYQPLTSK-QGZVFWFLSA-N 438.427 3.475 0 1 IGAF CC[C@@H](NC(=O)c1cc(C(=O)NCc2c(C)noc2C)c2n1CCOC2)c1ccccc1 143911216 URAZEKAYRFYRLK-HXUWFJFHSA-N 436.512 3.434 0 1 IGAF Cc1cc(=O)oc2cc(OCCCCCCn3cc(CN4CCN(C)CC4)nn3)ccc12 169311496 KZGSXMYRLWRCOH-UHFFFAOYSA-N 439.560 3.080 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnc(N)nc21 169707802 HYQUFCOAIVHYRS-UHFFFAOYSA-N 449.902 3.450 0 1 IGAF Cc1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC(O)C2)n[nH]1 224384669 HDMXJILQDDBFEM-UHFFFAOYSA-N 433.390 3.112 0 1 IGAF CC[C@H](O[C@@H](CO)Cc1cc(OC)c(O)c(OC)c1)[C@H](OC)c1ccc(O)c(OC)c1 299813560 RYIRLFCMHRNKFU-WLENULPWSA-N 436.501 3.210 0 1 IGAF Cc1nn(Cc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(C)c1Br 586978684 BEFMOOKZNKGVEV-UHFFFAOYSA-N 428.294 3.246 0 1 IGAF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587000891 NMMRLFDMYORYSA-ZDUSSCGKSA-N 435.303 3.296 0 1 IGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(Br)nc2[nH]1 587121004 NCLDQZGZAUBEDE-UHFFFAOYSA-N 441.211 3.144 0 1 IGAF COC(=O)[C@@]1(c2nc(N)sc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587533941 ZQWGKOMKFINBMY-SFHVURJKSA-N 437.315 3.400 0 1 IGAF C[C@@]1(Cn2c(=O)oc(=O)c3ccccc32)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588765 SBIITVMLUJSPIZ-CYFREDJKSA-N 431.400 3.081 0 1 IGAF C[C@@]1(c2ccc(O)c(NS(C)(=O)=O)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608131 OWWRXZCDWDJWLJ-UGKGYDQZSA-N 441.461 3.346 0 1 IGAF Cc1cc(-c2nc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)no2)cc(OC(C)C)n1 653716001 MBXYEBYZZIHQQS-CYBMUJFWSA-N 436.871 3.385 0 1 IGAF COc1cc(CN(C)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O 1772585395 BSNWZBYWVSWGSR-KRWDZBQOSA-N 438.524 3.351 0 1 IGAF CCNC(=O)Nc1ccc(-c2cc(N3CCOC[C@@H]3C)c3ncn(CCOC)c3n2)cc1 1772617569 BJFWSPIQVIPNAC-INIZCTEOSA-N 438.532 3.111 0 1 IGAF CC1(COc2ccc(CC(=O)N=c3ccn(Cc4ccc(F)c(F)c4)[nH]3)cc2)COC1 1857763446 ITUMLSDPGXHKCM-UHFFFAOYSA-N 427.451 3.228 0 1 IGAF CC=CC=Cc1cc(=O)c2c(o1)O[C@]1(C)CC[C@@]3(O)C(C)(C)[C@@]4(O)CC[C@@]3(CO4)[C@H]1[C@H]2O 2356684242 LFPBILWIIIPSMS-MGFPFYNRSA-N 444.524 3.080 0 1 IGAF CCN1c2ncc(CCc3ccnc(C(N)=O)c3)cc2C(=O)N(C)c2ccc(Cl)nc21 13780560 CVKUHCDBBJWDLQ-UHFFFAOYSA-N 436.903 3.157 0 1 IGAF COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](c2[nH]ncc2-c2ccccc2)C1 20586792 CTIVVQXJCPHESZ-OAHLLOKOSA-N 431.539 3.493 0 1 IGAF COc1cccc([C@]2(O)CCCC[C@H]2N2CCC3(CC2)C(=O)NCN3c2ccccc2)c1 28564086 QIWGSGWQNAQCDH-ZEQKJWHPSA-N 435.568 3.254 0 1 IGAF O=C1CNC(=O)N1CCCN1CC[C@H]2c3cc(F)ccc3N(c3ccc(F)cc3)[C@H]2C1 36093055 IQHJJFKDRDMNJP-RXVVDRJESA-N 426.467 3.216 0 1 IGAF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](O)[C@](CO)(CCCCc2ccccc2)C[C@H]3[C@H]1C5 58500022 JBRYBMGMSNJGGN-LLHRYVPHSA-N 449.591 3.424 0 1 IGAF COc1ccc2c(c1)c(C)c(CCC(=O)NS(C)(=O)=O)n2C(=O)c1ccc(Cl)cc1 95585100 PLYKGAOPLXCEPT-UHFFFAOYSA-N 448.928 3.309 0 1 IGAF O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 95866292 FBOQZBKGMGNFKB-OASJLCFRSA-N 444.506 3.233 0 1 IGAF COc1cc(Nc2ncnc(Nc3ccccc3C(=O)NC3CC3)n2)cc(OC)c1OC 96273921 ZSDJMTZGKAWLSX-UHFFFAOYSA-N 436.472 3.277 0 1 IGAF CN1CCN(CCCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@@H]2c2ccsc2)CC1 104199916 WBMUSPXXVDKBJN-PZJWPPBQSA-N 447.004 3.247 0 1 IGAF Cc1nn(C2CCOCC2)c2sc(C(=O)NC3CCC(CN4CCOCC4)CC3)cc12 114713748 RKSXWALAPJXPKX-UHFFFAOYSA-N 446.617 3.379 0 1 IGAF CN(C)C(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 586954012 XNGYQZDQORRPHE-UHFFFAOYSA-N 427.511 3.189 0 1 IGAF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(-c5c[nH]ccc5=N)[nH]c4c3)cc2)CC1 587250219 YFSOIANFIHPLLE-UHFFFAOYSA-N 441.539 3.037 0 1 IGAF COc1ccc(Cl)cc1[C@@]1([C@H]2CCCN(C=O)C2=O)CC(=O)c2cc(C)cc(N)c2O1 587379966 ZIRFZNIICAPBFY-HJPURHCSSA-N 442.899 3.495 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)c3sc(N)nc3C)c(=O)c3ccccc23)c(O)c1 587670782 RWRISAXGLLZKOG-UHFFFAOYSA-N 449.536 3.651 0 1 IGAF CC(C)c1nn(C)c2c1[C@@]([C@@H]1CCN(C(=O)OC(C)(C)C)CC1=O)(C(F)(F)F)NCC2 962914141 CLVYTIGZQHLTIQ-XCLFUZPHSA-N 444.498 3.273 0 1 IGAF C[C@@]1(CC(=O)Nc2ccc3c(c2)OCO3)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962956926 LSGMVIKOMCKKDS-RBZFPXEDSA-N 438.814 3.190 0 1 IGAF Cc1cn(CCC(=O)O)c(C)c1[C@@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971240 HHIDZKHDXHLQMJ-VBKZILBWSA-N 426.847 3.374 0 1 IGAF Cc1cc2c(cc1O)[C@@]1(CCc3cc(I)ccc31)N[C@H](C(=O)O)C2 963466510 DHHLIKHVJHMHBE-LPHOPBHVSA-N 435.261 3.094 0 1 IGAF N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@H]1c1cc(Cl)co1 963700938 GTKZSPZEWJRMBR-ZJOUEHCJSA-N 440.883 3.136 0 1 IGAF O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc3c(C4CC4)csc3c2=O)CC1 1857770560 PLTQBLJYQGTUFT-UHFFFAOYSA-N 437.565 3.322 0 1 IGAF CC[C@H](O)[C@H](O)CC=CC=CC=CC[C@H](O)C(C)=C[C@H](C)[C@@H](C)OC(=O)CCC(=O)O 2356323444 KZEPXPAHJZNSAB-WFMNFSIZSA-N 438.561 3.307 0 1 IGAF Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc(S(=O)(=O)N3CCCC3)cc12 4115450 XVYNNRGCPKEYRC-UHFFFAOYSA-N 442.493 3.184 0 3 IGAF Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(N)c2)n1 13527724 KXEVAWQCBZSBMD-UHFFFAOYSA-N 447.520 3.330 0 1 IGAF CC(C)C[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CF 13606565 HFRHUAYUFHVXNZ-SFTDATJTSA-N 427.520 3.167 0 1 IGAF Cc1ccc(S(=O)(=O)N[C@H]2CCN(CCCOc3ccc(C(=O)C4CC4)cc3)C2)cc1 13859893 PFSYJJKLBNXBAA-NRFANRHFSA-N 442.581 3.409 0 1 IGAF COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@H]1CO2 22930650 WZOMJNATDSYQHS-RWUVCDOXSA-N 449.551 3.146 0 1 IGAF CC(C)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)CF 27298965 JAVBZQAXUMDAIW-YADHBBJMSA-N 426.532 3.416 0 1 IGAF COc1ccc(CNC2CCN(C)CC2)cc1-c1ccc(S(=O)(=O)NC2CCC2)s1 45202458 WWIHXPLBGCJUOA-UHFFFAOYSA-N 449.642 3.438 0 1 IGAF COC(=O)CN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(F)cc3)sc12 53298087 RCKXKZDSVASWIU-UHFFFAOYSA-N 431.445 3.222 0 1 IGAF C[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NC1CCN(Cc2ccccc2)CC1 82083402 TYVYBEUMRQZCND-MRXNPFEDSA-N 438.553 3.302 0 1 IGAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccccc3)c2O[C@H]1CN(C)C 95847232 SSJJWSMGDNAKCS-LZJOCLMNSA-N 440.544 3.112 0 1 IGAF CC(C)CCS(=O)(=O)N1C[C@H]2C(=O)N(c3ccc(OC(F)(F)F)cc3)CC[C@H]2C1 96169505 TWMYWSDGOVHDKS-WMLDXEAASA-N 434.480 3.246 0 1 IGAF CNc1nc(Cl)c(Cl)c(N2CCN(CCC3CCC(NC(C)=O)CC3)CC2)n1 114957909 URZKYHFMOZUGKN-UHFFFAOYSA-N 429.396 3.032 0 1 IGAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1 169722960 OOADVIIECQPAAP-USXIJHARSA-N 445.314 3.378 0 1 IGAF NC1=N[C@](CF)(c2cc(NC(=O)c3nn(C(F)F)cc3Cl)ccc2F)[C@H]2C[C@H]2O1 226072373 UNQHKFVRHXLGIN-DKRRZFASSA-N 431.777 3.221 0 1 IGAF O=C(NCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)c1cc2c(s1)CCC2 587035493 VOVYBXKGSSQUPG-UHFFFAOYSA-N 429.445 3.337 0 1 IGAF CC(C)(C)OC(=O)N1CCO[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587583085 QCURHOGALPPHPG-UEXGIBASSA-N 427.453 3.358 0 1 IGAF CS(=O)(=O)N1CCc2cccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c21 587605332 CESHUBTVOWIHLB-WMZHIEFXSA-N 437.473 3.417 0 1 IGAF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@H](c1cc[n+]([O-])cc1)N2C(=O)OC(C)(C)C 962717729 RVFIEEYUXRVAFY-WMZHIEFXSA-N 428.460 3.200 0 1 IGAF CC[C@@H](C)Oc1ccc([C@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1Cl 963213324 HLVBGYWZFKPTIB-OVXHWVBHSA-N 428.920 3.088 0 1 IGAF CN1C=CC([C@H]2OC(C(Cl)(Cl)Cl)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1 1772634707 SEPDPSPSAHPGQK-OAHLLOKOSA-N 436.748 3.297 0 1 IGAF O=C1c2ccccc2S(=O)(=O)N1CCCCCCN1CCN(Cc2ccccc2)CC1 1772655512 HAEHRLPTKQJSGI-UHFFFAOYSA-N 441.597 3.209 0 1 IGAF O=C(Oc1cccc(N2CCS(=O)(=O)CC2)c1)N1CCC(c2ccc(F)cc2)CC1 1857539248 UKNIOGPEKIQXSP-UHFFFAOYSA-N 432.517 3.439 0 1 IGAF CCCCCCC(=O)OCC(=O)NCc1cc(OC)c(O)cc1I 1857757540 AUXRBYGTGYBLFG-UHFFFAOYSA-N 449.285 3.135 0 1 IGAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(Cc3ccccc3OC)CC2)cs1 2356307074 WWWGCIUNVXCRLB-IBGZPJMESA-N 431.602 3.246 0 1 IGAF CC1=C[C@H](C)[C@H](O)[C@H](C)[C@H](C)OC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C=C[C@@H](C)[C@@H]1O 2356482828 SQRHAWJNRYYSGK-HHGFJNSISA-N 443.584 3.134 0 1 IGAF CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)ccc21 6729066 LNBVTEGOXSQPRN-UHFFFAOYSA-N 427.570 3.113 0 3 IGAF Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C[C@@H]12 206020209 XUSPHZZYKRTKOR-IAGOWNOFSA-N 426.416 3.317 0 3 IGAF COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CN2 22933253 XWFFXPGAYIJUAN-ZPWQMVEJSA-N 448.567 3.179 0 1 IGAF 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O=C(O)[C@H]1[C@@H]2C[C@@H](C[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)[C@H]1C(=O)O 587347362 AZVUXYWQUUTIDF-UZBZQRGCSA-N 426.396 3.070 0 1 IGAF CCOC(=O)[C@H]1C[C@]2(CCN1C(=O)OC(C)(C)C)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437239 YQNMGKTYUZDRED-LNPFQXMTSA-N 431.485 3.144 0 1 IGAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cc(OC)c(OC)c(OC)c1)[C@@H](C2)C3=O 587441563 FQVNRFROABNGEA-WNSKOXEYSA-N 428.437 3.229 0 1 IGAF COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445631 XDPSTNDRHXZUDB-HGNKAZAMSA-N 443.496 3.142 0 1 IGAF NCCNc1cc(N2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)nc2ccccc12 653825425 TXCRYGLAUYFGON-UHFFFAOYSA-N 429.568 3.376 0 1 IGAF CCOC(=O)[C@@H]1c2ccccc2OC[C@@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962662783 JFARUIBXYRYUDE-RMUDUWAUSA-N 446.503 3.268 0 1 IGAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCn5ccnc5C4)cc3)sc2n1 1857611028 NQVBDYGRJBRCDY-UHFFFAOYSA-N 432.553 3.376 0 1 IGAF CCOC(=O)c1cc2c(c(-c3ccccc3)n1)[C@@H](CCO)N(S(=O)(=O)C(C)(C)C)C2 61943330 HQWNYLANZZFTSP-GOSISDBHSA-N 432.542 3.293 0 3 IGAF O=C1NC2(CCN(CCCC3(c4ccc(F)cc4)OCCO3)CC2)Oc2ccccc21 1640503 DFADTMUJPQOACZ-UHFFFAOYSA-N 426.488 3.420 0 1 IGAF CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](C)C(=O)O 13537710 JTOZWTDCDPQQIV-INTSVSHNSA-N 444.572 3.113 0 1 IGAF NC(=O)c1cccc(CN2C(=O)N[C@H](CCc3ccccc3)[C@@H](O)[C@H]2Cc2ccccc2)c1 13782662 LEKZXRMIXMQSLA-UBFVSLLYSA-N 443.547 3.284 0 1 IGAF CCc1cc(=O)oc2cc(OCC(=O)N[C@H](CSCc3ccccc3)C(=O)O)ccc12 15956305 GYBMOBHUXDKASR-LJQANCHMSA-N 441.505 3.237 0 1 IGAF biogenic COc1ccc(Cl)cc1N1CCN(CCNC(=O)c2cc3ccccc3oc2=O)CC1 28467201 BARVOJAMJAOCIC-UHFFFAOYSA-N 441.915 3.007 0 1 IGAF CC(=O)c1c(-c2ccc(O)cc2)c(-c2ccc(O)cc2)nn(CC[n+]2ccccc2)c1=O 29205244 ZWMZJJFTERYQSY-UHFFFAOYSA-O 428.468 3.179 0 1 IGAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2S(C)(=O)=O 49072117 ZMEGXNCIYOHBPM-OKSLILNBSA-N 441.615 3.101 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccccc2F)N(C(=O)Cc2ccccc2OC)C1 82198166 PUXHPSCVUDKXLC-IRLDBZIGSA-N 442.531 3.479 0 1 IGAF COc1ccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@@H](CO)N3C(=O)c2cccc(F)c2)cc1 95893765 SBAZQVDXQOKTKY-SMIHKQSGSA-N 446.478 3.464 0 1 IGAF Cn1c(=O)c(C(=O)NCc2ccc(F)cc2)c(O)c2ncc(Cc3ccc(F)cc3)cc21 102897268 ZVVUFFNOQHYLCA-UHFFFAOYSA-N 435.430 3.438 0 1 IGAF CCNc1nc(C)c2cc(-c3cnc(OC)c(F)c3)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1 116029495 JIIFDLQQKZASJU-GASCZTMLSA-N 427.480 3.217 0 1 IGAF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@H](O)[C@](CO)(CCCCc2ccccc2)C[C@@H]3[C@H]1C5 299807789 JBRYBMGMSNJGGN-MHBAIDQESA-N 449.591 3.424 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 299883006 QQQQLTKCRKONKD-JMTNDSBHSA-N 430.589 3.095 0 1 IGAF CCS(=O)(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 586953479 PIXIFGCGCHYNGZ-UHFFFAOYSA-N 448.551 3.281 0 1 IGAF O=C1COc2cc3[nH]c(C[C@@H]4CC(=O)Oc5cccc(Br)c54)nc3cc2N1 587003667 MUGGHTCMHKSBMO-SECBINFHSA-N 428.242 3.292 0 1 IGAF O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2c(O)ncnc2[nH]1)OCc1ccccc1 587203127 OCOJEBXDKSRPBP-QGZVFWFLSA-N 447.451 3.160 0 1 IGAF CS(=O)(=O)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568147 LFUMXVXOPYMYDA-DENIHFKCSA-N 428.437 3.433 0 1 IGAF CC(C)[C@@]12C[C@@H](NC(=O)CO)[C@@](C)(O1)[C@@H]1CC[C@@H](C)[C@H]1[C@@H]2OC(=O)/C=C/c1ccccc1 653916425 XJXBTAKQYJGWLC-RRYXBOBMSA-N 441.568 3.338 0 1 IGAF COc1ccc2cc([C@H](C)C(=O)NCCCOc3ccc(S(N)(=O)=O)cc3)ccc2c1 1857647876 IHKYZJVXRBQNME-INIZCTEOSA-N 442.537 3.185 0 1 IGAF FC1(F)CC[C@H](N=c2nc(-c3cncc(Cl)n3)[nH]c(=N[C@@H]3CCC(F)(F)C3)[nH]2)C1 1857648189 RZIGAQYBYPZUMX-AOOOYVTPSA-N 431.825 3.025 0 1 IGAF NC[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1c1ccccc1 576416 WOQXJNGTAUWRIE-PBHICJAKSA-N 439.462 3.492 0 1 IGAF CN(C)Cc1ccc(/C=C/c2ncccc2C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 26467169 OXQKFIHVHFGYRB-ZXYASIKESA-N 428.536 3.140 0 1 IGAF CC(C)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)NN2CCC3(CCCC3)CC2)cc1 27213773 QILDUUBHILTMNL-FQEVSTJZSA-N 429.561 3.461 0 1 IGAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2nsc3ccccc23)CC1 39013403 BOOBARCNIUCOKI-BTYSMDAFSA-N 436.581 3.006 0 1 IGAF CNC(=O)c1cnc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc1Nc1cccc(OC(C)C)c1 45195787 VRKZINXBJGYEIA-UHFFFAOYSA-N 433.472 3.280 0 1 IGAF OCCCc1ccc[n+](CCCc2ccc(CCC[n+]3cccc(CCCO)c3)cc2)c1 45358635 GEULRYBTHRKHBT-UHFFFAOYSA-N 434.624 3.377 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccco2)C1 82199416 BYWHGWVZSIIKHG-RTWAWAEBSA-N 444.528 3.056 0 1 IGAF C[C@H](c1ccc(C=O)cc1)[C@H]1[C@@H]2C=C[C@@H]3N1[C@]3(O)[C@H]2[C@H]1CC[C@H]2C[C@@H](O)C3(CCCC3)[C@@H]2N1 85547694 GTUHSHPOSBVDFZ-YCWQBSJRSA-N 448.607 3.222 0 1 IGAF biogenic,in-vitro O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 95677109 CMUIIZXJLAYAHO-HSALFYBXSA-N 437.968 3.457 0 1 IGAF O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 95866325 XBPXBLFNMMBNOE-OYRHQHFDSA-N 430.479 3.304 0 1 IGAF COc1cc(C(=O)c2ccccc2)ccc1-c1nc([C@H]2C[C@@](C)(O)C2)n2ncnc(N)c12 100619103 LTBKWKQMVQWTPL-BCTVQRCUSA-N 429.480 3.242 0 1 IGAF Cc1noc(C)c1Cn1cc(N2C(=O)N(CCc3ccc(F)cc3)C(C)(C)C2=O)cn1 116675030 OSJWHQZSVAOWOU-UHFFFAOYSA-N 425.464 3.465 0 1 IGAF COC(=O)Nc1nc2cc([C@@]3(O)c4ccccc4C(=O)N3Cc3nccs3)ccc2[nH]1 141255875 MWXROFUCHQSRRT-OAQYLSRUSA-N 435.465 3.047 0 1 IGAF CN(C)C(=O)C1=CC[C@@]2(CC1)Cc1ccc(-c3cccc(C#N)c3)cc1[C@]21N=C(N)N(C)O1 201229611 IJSUOCAFBJGIAV-CLJLJLNGSA-N 441.535 3.311 0 1 IGAF Cc1nc([C@@](C)(NC(=O)c2ccc(C3CC3)c(S(=O)(=O)CC(C)C)n2)C2CC2)no1 206687533 XOMUKZYXMPQWKV-NRFANRHFSA-N 432.546 3.135 0 1 IGAF COc1cc(OC)c2[nH]c(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)nc2c1 586945514 ICARGTVUYMUHSI-CQSZACIVSA-N 431.514 3.013 0 1 IGAF COC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 586960689 NVFJHXJCDCMHKU-ZMYBRWDISA-N 440.525 3.439 0 1 IGAF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cccc(C(N)=O)c3[nH]2)ccc1Cl 586963944 RTEJOIPRFWOSOY-UHFFFAOYSA-N 440.916 3.447 0 1 IGAF CCCCNS(=O)(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 587216703 KGBCNERGKPPLET-HXUWFJFHSA-N 428.558 3.370 0 1 IGAF COc1cc(CCn2cnc3ccc(-c4cnc(OC)nc4OC)cc3c2=O)cc(OC)c1 1857542406 CUNQTBXYMBSXIM-UHFFFAOYSA-N 448.479 3.131 0 1 IGAF CCC(=O)O[C@@H]1[C@H](OC(C)=O)O[C@@H]2O[C@@H]3OC(=O)C(=CC=C4CCCC(C)(C)C4)[C@@H]3[C@H]21 2356647954 JCWZFOPWRPXHOD-WNHSNXHDSA-N 434.485 3.152 0 1 IGAF COc1ccc(-c2cc(=O)oc3cc(O[C@H](C)C(=O)NCCCN4[CH]NC=C4)ccc23)cc1 2356867237 QUZHUXJVEWXELI-QGZVFWFLSA-N 448.499 3.238 0 1 IGAF CC(C)(C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 61928783 INVUWUIHKDENFY-LJQANCHMSA-N 440.974 3.175 0 3 IGAF O=C(NCc1ccc(F)cc1)c1cc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)on1 61929743 QLFBGOSCCLDJJZ-KRWDZBQOSA-N 443.500 3.312 0 3 IGAF COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4208481 KNGITPIUNFBGFX-WEYGHZABSA-N 441.915 3.177 0 1 IGAF Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Br 14974443 ZYDLLQQSZLGFKF-UHFFFAOYSA-N 434.290 3.413 0 1 IGAF CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12 26179579 FWJLNPNOFSXKMI-NOZRDPDXSA-N 444.620 3.427 0 1 IGAF O=C(O)[C@H]1CC2(CN1C(=O)C[P@](=O)(O)CCCCc1ccccc1)SCCS2 26941531 SCLVAMUVMTZGEU-MRXNPFEDSA-N 443.527 3.142 0 1 IGAF COc1ccc(-c2cc(C(=O)N[C@@H]3CCCCNC3=O)n3nc(C(C)(C)C)cc3n2)cc1 34833523 ZMKKHNFRFYVGBA-QGZVFWFLSA-N 435.528 3.101 0 1 IGAF Cc1nn2cc(-c3ccc(OCCN4CCN(C)CC4)cc3)cnc2c1-c1ccncc1 40895599 WFTVDXJIEHPAFM-UHFFFAOYSA-N 428.540 3.393 0 1 IGAF CCCN(C)C[C@H]1Oc2ncc(-c3ccccc3OC)cc2C(=O)N([C@H](C)CO)C[C@H]1C 95726434 QVNCVFKAODAXPC-PMAPCBKXSA-N 441.572 3.319 0 1 IGAF O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC1[C@H]2CC3C[C@H]1CC(F)(C3)C2 100065989 RUBWTVFAHWBQIP-GWMKHDQUSA-N 440.485 3.255 0 1 IGAF CS(=O)(=O)n1c(COCCN2COc3ccccc3C2=O)cc2cc(Cl)ccc21 103266596 MIUHBMSLHBYAAI-UHFFFAOYSA-N 434.901 3.111 0 1 IGAF NC(=O)c1ccc(N[C@@H]2CNCC[C@H]2c2ccc(C(F)(F)F)c(F)c2)c2cncnc12 143797927 QFZWBDDVPDKVEO-KPZWWZAWSA-N 433.409 3.444 0 1 IGAF CN(C)CCCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 168357663 PHQHCQRBNHZTAR-FCGDIQPGSA-N 446.389 3.284 0 1 IGAF C/C=C(/C)C(=O)O[C@H]1C[C@@](C)(OC(C)=O)[C@@H]2CC=C(C)[C@H]2[C@@H]2OC(=O)[C@@](C)(OC(C)=O)[C@H]12 238745366 WXAJADWYCXGFFJ-NCBQFWKTSA-N 448.512 3.036 0 1 IGAF Cc1cn([C@@H]2C=C[C@@H](CO[P@]3(=O)OCc4cc(Cl)ccc4O3)O2)c(O)nc1=O 299806470 RVLRBHLDPAIIAN-OANHIGOFSA-N 426.749 3.098 0 1 IGAF CCOCCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(O)cc1 299882970 QPHDJLROPATLOF-VYSKDJSUSA-N 443.496 3.425 0 1 IGAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2nc(Cl)c[nH]c-2n1 586937503 RAICKFLYGBKVRI-LBPRGKRZSA-N 425.967 3.347 0 1 IGAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4cc(CO)ccc4[nH]3)cc2)cc1 586944277 JEHHIRVACZCYQA-UHFFFAOYSA-N 435.505 3.403 0 1 IGAF O=C1CCc2cc3nc(-c4sccc4S(=O)(=O)NCc4ccco4)[nH]c3cc2N1 586946387 WPPGXWDGSNWZSV-UHFFFAOYSA-N 428.495 3.248 0 1 IGAF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccnc(O)c4[nH]3)ccc2s1 587034297 RVHOQPSROZZBSW-UHFFFAOYSA-N 426.454 3.210 0 1 IGAF COC(=O)c1cc2[nH]c([C@H](C)n3ncc(I)c3C)nc2cc1OC 587183140 VYPQHIXYLGYPCU-VIFPVBQESA-N 440.241 3.077 0 1 IGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(c1cccc(F)c1)[C@H]1CCNC1 963142902 LQDWDQKUTXUMTF-JKXTWKSPSA-N 447.532 3.382 0 1 IGAF CNC(=O)c1cc(F)cc(Nc2ncnc(N3CC(COc4ccc(Cl)cc4)C3)n2)c1 1772574645 GYZAZWLABJCXKV-UHFFFAOYSA-N 442.882 3.283 0 1 IGAF COc1cc(OC)c(-c2cn3ccc(N4CCN(CCC(=O)O)CC4)cc3n2)cc1Cl 1857616371 HXYREYDDWURCJO-UHFFFAOYSA-N 444.919 3.269 0 1 IGAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)CCc3ccccc3)CC2)cs1 2356328923 MICMFZWXALOISZ-FQEVSTJZSA-N 443.613 3.197 0 1 IGAF CC[C@H](C)CC(=O)O[C@@H]1CC(C(=O)OC)=C[C@H](OC(C)=O)[C@@H]1OC(=O)C[C@H](C)CC 2356720288 VNWSQNMVJSQZBF-QZLRTCBTSA-N 426.506 3.117 0 1 IGAF O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 627437 FPTQRJBKCMEAEU-PMACEKPBSA-N 433.508 3.255 0 3 IGAF O=S(=O)(c1ccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1)N1CCCC1 8670524 NACXHBAQOBJBBU-UHFFFAOYSA-N 438.509 3.443 0 3 IGAF aggregator Cc1cccc(C)c1-n1nnnc1[C@]1(C)CCC(=O)N1c1ccc(N2CCOCC2)cc1 95602416 QOALTQUFKZBWRZ-DEOSSOPVSA-N 432.528 3.158 0 3 IGAF CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccc(F)cc2Cl)C1 767183 RNAVSDJTXBOALP-BSIFCXSSSA-N 429.879 3.308 0 1 IGAF CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)N[C@@H](C)CN(C)C)cc1 769384 PTTNMTOOHSWBQN-YJGRUCBDSA-N 438.572 3.309 0 1 IGAF O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 2481896 SYTAHICZQJWNGK-QZHINBJYSA-N 434.399 3.121 0 1 IGAF O=C(O)c1cn2c3c(c(N4CCNCC4)c(F)cc3c1=O)S[C@@H](c1ccc(F)cc1)C2 27096861 JMCREIZBJCLMSJ-QGZVFWFLSA-N 443.475 3.235 0 1 IGAF COc1cc(-c2nc(N(C)CC(C)C)ncc2C(=O)N2CCCC2)cc(OC)c1OC 82143722 KJAAJNPBDGPONC-UHFFFAOYSA-N 428.533 3.498 0 1 IGAF CCOC(=O)CN1CCN(c2ncc(C)c(NCc3cccc(C(F)(F)F)c3)n2)CC1 82204411 QOUBDYFWYXKOCU-UHFFFAOYSA-N 437.466 3.101 0 1 IGAF Cc1cc(S(=O)(=O)C2CCCC2)cc(=O)n1[C@H](CC1CC1)C(=O)Nc1nccs1 95604388 LANHGOMVJISQAO-QGZVFWFLSA-N 435.571 3.309 0 1 IGAF O=C(C[C@H]1C=C[C@@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 95667304 WWBREHKQUAGTED-WXFUMESZSA-N 443.503 3.192 0 1 IGAF CC(C)(C)S(=O)(=O)c1cnn([C@H](CC2CCOCC2)C(=O)Nc2ncc(F)s2)c1 137681424 DSXYFRHBEHZZQH-CQSZACIVSA-N 444.554 3.047 0 1 IGAF CCCN(CCN1CCN(c2ccccc2)CC1)[C@H]1CCc2cc3c(cc2C1)N[C@@H](N)N3 169299274 GJWNNHQBSQJALA-OZXSUGGESA-N 434.632 3.158 0 1 IGAF COCCN1CCN([C@H](CN2CCC(N3CCCCC3)CC2)c2ccc(C)cc2)CC1 203807845 KWFQAQWMBYBVJG-AREMUKBSSA-N 428.665 3.250 0 1 IGAF CCCS(=O)(=O)N[C@H]1CC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218793030 SRPWJWSJOXIUHJ-CAVDFQHHSA-N 448.629 3.331 0 1 IGAF CC(=O)N(C)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(CO)[C@@H]([C@H](C)N(C)C)[C@H](O)C[C@@H]32)C1 238737774 QESRLCMMDDILDH-PETODIKOSA-N 432.649 3.306 0 1 IGAF CCOCC1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn([C@H]4CCOC4)c23)CC1 261183523 WQWZMXFHZJWQCB-KRWDZBQOSA-N 438.528 3.449 0 1 IGAF CC(C)[C@@](C)(O)c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 586891688 UZCHJUCIGNMBKH-RUZDIDTESA-N 435.572 3.426 0 1 IGAF Cc1cccn2c(=O)c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N(C)C)nc12 587592434 YRGKSCLXGCNUSM-PGRDOPGGSA-N 443.459 3.477 0 1 IGAF CCOC(=O)C[C@H](C(=O)OCC)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587800269 WLNBJRDMEWGDBJ-MVBJNABHSA-N 430.314 3.470 0 1 IGAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CSc1nnc(O)nc1O 587859742 LISAZTWBSVZPJC-UHFFFAOYSA-N 442.284 3.284 0 1 IGAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)N(CC)C(=O)c1cc(OC)cc(OC)c12 962944220 HHZHZNDJWZVAME-SXBQZSJRSA-N 433.508 3.355 0 1 IGAF Cn1cccc1C(=O)N[C@@H]1C[C@@H]2C(=O)Nc3ccc(C=Cc4ccccc4)cc3C(=O)N2C1 2356315976 SLCBWGVGVVUKJJ-AUSIDOKSSA-N 440.503 3.161 0 1 IGAF O=C(CN1C(=O)c2cccnc2Oc2ccc(Cl)cc21)NCCCN1CCCCC1 8590382 QWVZOJXCSUHDEQ-UHFFFAOYSA-N 428.920 3.480 0 1 IGAF C[C@@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccc(Cl)cc32)CCN1 13796192 ADSIJCJEGGYQEI-CYBMUJFWSA-N 431.924 3.215 0 1 IGAF CCCC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCCC2)C1 13832112 SSNIDNNYVUIGSX-QGZVFWFLSA-N 426.388 3.471 0 1 IGAF C=CC[C@@]12C=C(OC)C(=O)[C@@](OC)([C@H](c3cc(OC)c4c(c3)OCO4)[C@@H]1C)[C@@H]2OC(C)=O 28539685 COPLEPGVXBXNMK-VHFCYPLZSA-N 444.480 3.150 0 1 IGAF biogenic COCCS(=O)(=O)Cc1csc(NC(=O)NCc2ccc(Cl)c(Cl)c2)n1 59083887 CLZUZWKAWSWQOW-UHFFFAOYSA-N 438.358 3.333 0 1 IGAF CN(C(=O)CN1CCCC1)c1ccc(Cc2ccc(N(C)C(=O)CN3CCCC3)cc2)cc1 66098873 GYDVOMRFGUYXFN-UHFFFAOYSA-N 448.611 3.395 0 1 IGAF COc1cc2ncnc(Nc3cnn(CC(=O)Nc4ccc(N(C)C)cc4)c3)c2cc1OC 73221973 GERTXWLPZYPXBE-UHFFFAOYSA-N 447.499 3.292 0 1 IGAF CN1CCC[C@H]1COC(=O)[C@@H]1CCCN(C(=O)c2csc(Nc3ccccc3)n2)C1 82081656 VVECSMSTSNNLAX-AEFFLSMTSA-N 428.558 3.376 0 1 IGAF COc1cc(-c2cn([C@H]3C[C@@H](C(F)(F)F)CCNC3=O)nn2)ccc1-n1cnc(C)c1 84634863 NCGLVPCGSZDWHT-YOEHRIQHSA-N 434.422 3.077 0 1 IGAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5ccccc5)CC(=O)N4[C@H]3CO)cc2)c1 95798047 BCKVPVVORVDOKW-RMTZWNOUSA-N 426.516 3.473 0 1 IGAF O=C(CC(F)(F)F)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 116880649 KAEYIPLTXHGZRS-CALCHBBNSA-N 440.510 3.156 0 1 IGAF O=C(NCc1ccc(Cl)cc1Cl)N1C[C@@H]2CN(S(=O)(=O)c3ccccc3)[C@H]2C1 205434997 SNDOPLDGRCNUQN-KDOFPFPSSA-N 440.352 3.208 0 1 IGAF COc1ccc(S(=O)(=O)NCCCNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 217498486 UBPMOAODMPNQIR-UHFFFAOYSA-N 432.329 3.492 0 1 IGAF CN(C)CCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1 299867147 XLJBJJAZSWASNW-UHFFFAOYSA-N 449.486 3.485 0 1 IGAF O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 299877445 HHOFWFTZXZILOM-BJLQDIEVSA-N 429.879 3.356 0 1 IGAF CC[C@H](C(=O)c1c(CO)oc2cc(Br)cnc12)N1C(=O)c2ccccc2C1=O 587272845 CMKKHMUKORXHKR-CYBMUJFWSA-N 443.253 3.340 0 1 IGAF CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC)CC(=O)c1cc(C)cc(N)c1O3 587401649 VGDPUNFUJPZDCM-GELOPYEKSA-N 430.501 3.101 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCC(=O)O)(c1ccc(OC)cc1)CC2=O 587469613 JHZBOYPDGWWWPF-DEOSSOPVSA-N 441.480 3.195 0 1 IGAF CC(C)(C)OC(=O)N1CCC(n2cc([C@@H]3N[C@H](C(=O)O)Cc4cccc(F)c43)cn2)CC1 962904057 ANVUSXUVQGNTLA-ICSRJNTNSA-N 444.507 3.283 0 1 IGAF CC[C@H](C)Oc1ccc([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1Cl 963213323 HLVBGYWZFKPTIB-NHMRUBIDSA-N 428.920 3.088 0 1 IGAF CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1CC(C)(C)OCCN 1772602266 RNJCSLXTDAQCMP-UHFFFAOYSA-N 436.354 3.220 0 1 IGAF CN[C@H]1CCCN(Cc2ncc(-c3ccc(Cl)c(NC(=O)c4coc(=N)[nH]4)c3)s2)C1 1857608916 CCDHLWIXWILVTP-ZDUSSCGKSA-N 446.964 3.300 0 1 IGAF CC1=CC(=O)O[C@@H]1CC[C@]1(C)O[C@]2([C@@H]3C[C@@H]3C)O[C@@H]3C[C@H](C)[C@@H]4C(=O)[C@@H]1[C@@]2(O)[C@H](C)[C@H]43 2356422592 FAENNAPQJGMWNW-JAVIWHSFSA-N 430.541 3.017 0 1 IGAF O=C(c1nc2ccc(Cl)cn2c1CN1CCC(CO)CC1)N1CCc2ccccc2C1 11819708 RFHZZQSHQBHYPM-UHFFFAOYSA-N 438.959 3.391 0 3 IGAF COc1ccc(OC)c(CN[C@](C)(CCCCC(=O)O)c2nnnn2C2CCCC2)c1 205857381 ASMRHDAAUNATNU-JOCHJYFZSA-N 431.537 3.455 0 3 IGAF N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1c1ccccc1 576421 FJHKBXPXIQCCFE-MAUKXSAKSA-N 425.435 3.244 0 1 IGAF O=c1ccc(-n2ccnc2)nn1CCCCCN1CCN(c2ccccc2Cl)CC1 13475446 UAKCDLRPPIWZSK-UHFFFAOYSA-N 426.952 3.075 0 1 IGAF O=S(=O)(NN1C(=S)S[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@@H]1O)c1ccccc1 28569049 SLTXEPXZNKTMAJ-GJZGRUSLSA-N 449.406 3.450 0 1 IGAF CCS(=O)(=O)c1cc(NCc2cccs2)nc(-c2ccc(S(C)(=O)=O)cc2)n1 29132657 JBKASQFEWCYWGQ-UHFFFAOYSA-N 437.568 3.014 0 1 IGAF Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(S(N)(=O)=O)cc3c2-c2ccccc2C)c(C)c1 40880234 DFOLGWDCROPMCI-UHFFFAOYSA-O 449.556 3.387 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(CC2CC2)C[C@H]1C 95679623 FJDWUCHGYMGICZ-SEPYTNNBSA-N 443.588 3.251 0 1 IGAF CN(C)C(=O)c1cccc(-c2ccc([C@@H]3[C@H]4CNC[C@@H]3N4C(=O)NC3CCCC3)cc2)c1 100093559 RJPJWJSEMJUBIU-BKFWDETESA-N 432.568 3.447 0 1 IGAF CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccc(C)c(Cl)c1)C(=O)NCCOC 103623197 VCQPNVZUTAEELT-OAHLLOKOSA-N 448.980 3.253 0 1 IGAF O=C(c1cc(F)ccc1-c1ncccn1)N1C[C@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 116828236 RUEIQQRBMMEJMQ-IAGOWNOFSA-N 440.482 3.434 0 1 IGAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3[nH]c(=N)[nH]c(Cl)c-3n1)C(=O)OC2 586914810 CFFCTANLGJSYEQ-RUDMXATFSA-N 443.891 3.185 0 1 IGAF CCOC(=O)Cc1ccc2nc(Cn3c(=O)cc(C(F)(F)F)c4c(C)nn(C)c43)[nH]c2c1 587127796 FNTKPTGKNOBBDH-UHFFFAOYSA-N 447.417 3.092 0 1 IGAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3nccnc3I)nc1-2 587186045 FMAMGNCVUNFYMM-UHFFFAOYSA-N 426.527 3.038 0 1 IGAF CC(C)(C)OC(=O)NC1(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CCC(=O)CC1 587234141 HAFJCURTFBCHSA-UHFFFAOYSA-N 428.533 3.258 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587585800 GKGVXSPWGQBUOK-YKSBVNFPSA-N 433.416 3.167 0 1 IGAF CNS(=O)(=O)c1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587839370 GTMGPVAOCOTWDK-VOJFVSQTSA-N 427.339 3.294 0 1 IGAF CCCn1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)nc2)cn1 1772631137 FYIPERXOWGWKMC-UHFFFAOYSA-N 441.538 3.061 0 1 IGAF CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1cccc(-c2cccc(F)c2)c1 1857593457 UDUXAKYTHXSVSP-HXUWFJFHSA-N 429.492 3.340 0 1 IGAF COc1cccn2c(=O)n(CCCCN3CCN(c4cccc5sccc45)CC3)nc12 1911581229 LZDIMLIVNXMYDQ-UHFFFAOYSA-N 437.569 3.322 0 1 IGAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@H](NCCO)C[C@@H](c3ccc(F)cc3)N12 2356302000 JORKWFURZIKOEA-SZOBAZRNSA-N 437.515 3.233 0 1 IGAF CNC[C@@H]1CC[C@@H]2C[C@]34[C@H](O)[C@@H]5C=C[C@H]6C[C@@]5(C)C[C@@](O)(C6)[C@@H]3C[C@@]43CCC[C@@H]3[C@H]2N1 2356686232 XUSOODGIZUATTI-DZVXPRQDSA-N 426.645 3.237 0 1 IGAF CC=CC=CC[C@@H]1C[C@H](O)[C@@H]2[C@@H]3C(C)=C[C@@H]4C=C[C@H](O)[C@H](O)[C@@H]4C(C)=CC=C[C@@H]3C(=O)N21 2356694761 HFNMIOGEGCXSJX-CTWYNWAPSA-N 437.580 3.072 0 1 IGAF CCNC[C@](O)(CCCCC[C@@H]1CC[C@@H]2[C@H](CCN3[C@H](C)[C@@H](O)CC[C@H]23)C1)CC(=O)O 2356863291 VEORHRTTYJLUBU-KQNUMLBHSA-N 438.653 3.402 0 1 IGAF COC(=O)C1=C(C)N(CCc2cc(OC)c(OC)c(OC)c2)C(=O)N[C@H]1c1ccccc1 13816490 PDLCPOLAIKYXGA-NRFANRHFSA-N 440.496 3.468 0 3 IGAF CCOC(=O)C1=CN(Cc2cccc(F)c2)S(=O)(=O)N(CC)[C@@H]1c1cccc(OC)c1 61958818 JHFHVJSSDYTSMS-OAQYLSRUSA-N 448.516 3.405 0 3 IGAF O=c1oc2cc(O)ccc2c(O)c1C(c1ccccn1)c1c(O)c2ccc(O)cc2oc1=O 5580954 GOILOMCGUQUBPC-UHFFFAOYSA-N 445.383 3.297 0 1 IGAF COc1cc(OC(C)=O)c2c(=O)cc(-c3cccc(OC(C)=O)c3OC)oc2c1OC 14644281 GQGCGJIXGSFZIM-UHFFFAOYSA-N 428.393 3.336 0 1 IGAF biogenic COC1=C(OC)[C@]23COc4c5c(cc(c42)[C@H](OC(C)=O)[C@@H](C)[C@@H](C)CC3=CC1=O)OCO5 14958099 NYEXLGIZLUIIRN-BMPXBQLYSA-N 442.464 3.339 0 1 IGAF biogenic CN(C)[C@@H]1CCN(CCCOc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)cc2)C1 22927358 RPACETIDTVHRKQ-XMMPIXPASA-N 437.584 3.231 0 1 IGAF CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)c(Cl)c1 43068157 KRHOGWJSAPPEKV-UHFFFAOYSA-N 449.400 3.352 0 1 IGAF COc1cc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2cc1NC(=O)C1CC1 72170893 HDLOOANOTTYYFN-SSEXGKCCSA-N 428.514 3.248 0 1 IGAF CCOCCN(CCOCC)C(=O)c1cnc(NCCCOC)nc1-c1ccc(F)cc1 82139668 XYGNTKJRLHVZRF-UHFFFAOYSA-N 448.539 3.246 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)NC[C@@H]1C 95688530 VMZAIKVTLMIHQJ-GSHUGGBRSA-N 440.544 3.424 0 1 IGAF CCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(Oc1ncnc(Oc3cccnc3C)c1C)C2 101417604 FOYJHMAEBATSLY-IRXDYDNUSA-N 432.546 3.395 0 1 IGAF COc1ccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCc2ccccc2)cc1OC 169687186 MLZAAXOETAHQQS-FCHUYYIVSA-N 433.460 3.491 0 1 IGAF C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\[C@H]3O[C@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 195217567 MSHYYZSYRGWFES-CQOHFUKPSA-N 437.558 3.071 0 1 IGAF N[C@@H](CC(=O)N1[C@H](COC(=O)C2CC2)C[C@@H]2CCCC[C@@H]21)Cc1cc(F)c(F)cc1F 299823316 DKYAPNCLSWLGEV-CCFTVXDOSA-N 438.490 3.477 0 1 IGAF N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cncnc4[nH]2)cn3C2CC2)C1 587173020 QEBSUVREFQXRGA-CYBMUJFWSA-N 433.491 3.126 0 1 IGAF COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@]13Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1)N2C 587337833 MUKZLPHPDSEOOF-PMQUWBLQSA-N 425.456 3.285 0 1 IGAF CCOC(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@]12CC(=O)c1cc(C)cc(N)c1O2 587396166 QBIPINWKDJFADT-KOSHJBKYSA-N 438.480 3.113 0 1 IGAF COc1ccc(S(=O)(=O)N(Cc2ccccc2)[C@@H](CC(C)C)P(=O)(O)O)cc1 653762912 FCPKYFRIWUQEDW-LJQANCHMSA-N 427.459 3.436 0 1 IGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@]2(N1)C(=O)Nc1cc(Br)ccc12 962959006 DHESRQHKWIUHRD-YVEFUNNKSA-N 443.631 3.175 0 1 IGAF CCOCCNC(=O)c1ccc(Oc2sc(C(N)=O)c3c2-c2sncc2CC3)cn1 1772621876 CNIOXRPTZYLDHI-UHFFFAOYSA-N 444.538 3.023 0 1 IGAF CC(C)COc1ncc(-c2nn(C)c3cc(C(=O)NS(C)(=O)=O)ccc23)cc1Cl 1857764912 LAGKKGKWRZUUSJ-UHFFFAOYSA-N 436.921 3.013 0 1 IGAF O=C1[C@H]2C[C@@H](CN2C(=O)NCc2ccccc2)Oc2ccccc2N1Cc1cccnc1 2356301925 HQNDBQMFBCMQIQ-RBBKRZOGSA-N 428.492 3.360 0 1 IGAF COc1ccccc1[C@@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 4208478 KNGITPIUNFBGFX-AGHHOFFYSA-N 441.915 3.177 0 1 IGAF CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@H]1CO[C@H](OCCCc2ccccc2)C1 13450305 IWLPXXNSGMQAFX-VWNXMTODSA-N 441.548 3.491 0 1 IGAF O=C(O)CCNC(=O)[C@@H](Cc1ccccc1)O[P@](=O)(O)CCCCc1ccccc1 13734481 ZFDIXRMRTODLFR-HXUWFJFHSA-N 433.441 3.414 0 1 IGAF O=C(O)[C@@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1cccc(Br)c1 13807289 DYWCQKFPKGFRJQ-GOEBONIOSA-N 435.322 3.247 0 1 IGAF CCOC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCC4CCCCC4)CO[C@@H]23)c1 25213631 BRYWWYMABCXDTI-BQJUDKOJSA-N 432.517 3.117 0 1 IGAF biogenic CN1CCC=C(c2nsnc2OCCCCOc2nsnc2C2=CCCN(C)C2)C1 27523237 OJDJEYGCDIFOLB-UHFFFAOYSA-N 448.618 3.065 0 1 IGAF CC(C)(CNC(=O)c1ccc(-n2ccccc2=O)cc1)NC(=O)c1ccc(Cl)s1 28822819 DDHFRVNBVVQIBV-UHFFFAOYSA-N 429.929 3.491 0 1 IGAF CNc1nc(Nc2cc(C)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F 95578591 TXNVISBGVPMNMN-UHFFFAOYSA-N 425.411 3.070 0 1 IGAF O=C(Nc1cc(F)ccc1F)N[C@@H]1CC[C@@H](CCn2cc(C3CCCC3)nn2)O[C@H]1CO 95794821 RGJBWJPEIDPDHJ-CDXJDZJCSA-N 449.502 3.334 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2cccnc2)C1 95865060 XIJULWMAQMNBMA-QFIPXVFZSA-N 446.551 3.001 0 1 IGAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4cccs4)C[C@@H]23)cc1 95873819 DXNXIBCUAKIKFC-JGZUXRTRSA-N 432.611 3.395 0 1 IGAF CS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCCCC3)cc2-c2ccc(Cl)cc2)nn1 96928091 VUTVPGWMIMZGPU-UHFFFAOYSA-N 445.932 3.012 0 1 IGAF O=C1C[C@H](c2ccccc2C(F)(F)F)C(=O)N1CN1CCN(c2ccccc2F)CC1 101632396 FIEJTGFHBAOSFC-MRXNPFEDSA-N 435.421 3.467 0 1 IGAF Cc1nc([C@H](NC(=O)c2cc(O[C@@H](C)C(F)(F)F)c(C3CC3)cn2)C2(C)COC2)no1 146267963 AHXHLHDSESGHBO-QFYYESIMSA-N 440.422 3.488 0 1 IGAF COC1CCC2(CC1)Cc1cc(F)c(-c3cccc(C#N)c3)cc1[C@]21N=C(N)N(C)C1=O 201213294 QMVDZLIEKKVUOU-QJDQLVHXSA-N 432.499 3.478 0 1 IGAF COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)[C@@H]5O[C@H]6CN[C@H]5C6)ccc4c3c2)c1 221258756 PZZOSNLCPHNUSM-VEDVITAVSA-N 441.487 3.408 0 1 IGAF O=c1cccc(-c2nc3cc(S(=O)(=O)O)ccc3[nH]2)n1CCOc1ccccc1Cl 587063922 DRIXZXQFNWFLON-UHFFFAOYSA-N 445.884 3.371 0 1 IGAF Cc1c(I)cnn1[C@@H](C)c1nc2c(Br)ccnc2[nH]1 587181886 GWKYTCIVHXKUON-ZETCQYMHSA-N 432.063 3.439 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2ccccn2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587585799 GKGVXSPWGQBUOK-RDPSFJRHSA-N 433.416 3.167 0 1 IGAF COC(=O)C1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC(OC)(OC)C1 587811097 MREKJDSEHZUCCH-APPDUMDISA-N 430.314 3.280 0 1 IGAF C=Cc1ccc2c(c1)-c1c(c(C(=O)N(CCNC(C)=O)Cc3ccccc3)nn1C)CO2 1857580419 ROHLVDVTZUAMTQ-UHFFFAOYSA-N 430.508 3.401 0 1 IGAF CCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c2c(F)cc(N3CCOCC3)cc21 1857750856 BYUFXYGQZOEYOZ-UHFFFAOYSA-N 427.451 3.066 0 1 IGAF CC[C@H](C)[C@@H]1O[C@H](C=CC=CC(=O)O)[C@H](O)[C@]2(O)[C@@H]3CC=C(C)C[C@@H]3C=C(C)[C@@H]2[C@]1(C)O 2356719393 WQAFDIKVNMLDOJ-ZEFGBBDDSA-N 446.584 3.389 0 1 IGAF CC(C)CCC=CC=C[C@H](O)[C@H](C)[C@H](CC=C[C@@H]1OC(=O)CC[C@H]1O)OP(=O)(O)O 2356808351 YRXGCLPGKUCVRQ-KNJMJIDISA-N 446.477 3.023 0 1 IGAF O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@H]12 5433664 BBHWCGHKLGCPGO-DOIPELPJSA-N 442.491 3.288 0 1 IGAF biogenic NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H]2CC(/C=C/c3ccco3)=NO2)cc1 12355139 IHQRVQUVWKEKQN-SGWGQVFISA-N 437.477 3.391 0 1 IGAF CCCN1CC(=O)N2[C@@H](c3ccc(OC)cc3OC)c3[nH]c4ccccc4c3C[C@@H]2C1=O 26772184 IUAYSLGNQVPEJR-YKSBVNFPSA-N 433.508 3.280 0 1 IGAF biogenic CN(C)Cc1ccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3)nc2c1 28963755 SCGLOANKROYCCV-UHFFFAOYSA-N 425.489 3.063 0 1 IGAF COc1ccc2c(C[C@@H]3NC(=O)[C@H](Cc4ccccc4)NC3=O)c(CC=C(C)C)[nH]c2c1 29062554 IMRGMOYMPJTNIA-ZEQRLZLVSA-N 431.536 3.454 0 1 IGAF CCCCOC(=O)COC(=O)[C@H]1CCCN(C(=O)c2coc(-c3ccccc3C)n2)C1 82069635 SUDIHYBRCGGFBY-KRWDZBQOSA-N 428.485 3.389 0 1 IGAF CCCCOCCOC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085468 AOZOJZCIBGEALV-KRWDZBQOSA-N 430.457 3.035 0 1 IGAF COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2cccc(NC(C)=O)c2)cs1 82195478 OHUKABQNEDBDJD-KRWDZBQOSA-N 436.603 3.455 0 1 IGAF CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccnc3nc(-c4cccs4)[nH]c23)cc1 84670753 OALFZNFPYZQTDF-UHFFFAOYSA-N 441.538 3.030 0 1 IGAF CN(C)CC(=O)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 95877036 ZAHXKZOKOUSJMC-AGVMNQFGSA-N 433.596 3.170 0 1 IGAF Nc1ncnc2c1ncn2C[C@H]1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1 141104486 HDJSLWAZPQQGRN-BHIFYINESA-N 445.523 3.368 0 1 IGAF C[C@H](c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1)N1CC(c2ccc(N3CCCC3)cc2)C1 205461377 FSNXFDJNCMPDLS-QGZVFWFLSA-N 448.571 3.072 0 1 IGAF CCN(c1cc(Cl)cc(C(=O)NCc2c(CO)cc(C)[nH]c2=O)c1C)C1CCOCC1 207604856 NWDSLJCTPIIFGK-UHFFFAOYSA-N 447.963 3.073 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(OC[C@@H]4CC4(F)F)cn3)C2)cc1 221187342 XUSNQLOIFQAKMA-UCLAIMLFSA-N 432.471 3.365 0 1 IGAF Cc1ccc(O)c2c3c(nn12)CC[C@@](C)(NC(=O)c1ccc(-n2ccnn2)cc1Cl)C3 299862746 NUUBWGQWBSPCOM-JOCHJYFZSA-N 436.903 3.260 0 1 IGAF COC(=O)c1cccc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 586950959 NTVIJFHGKWRRHE-UHFFFAOYSA-N 428.514 3.282 0 1 IGAF CC(=O)N[C@@H](Cc1nc2nc(Br)c[nH]c-2n1)c1ccc(Br)cc1 586984627 HSEOZJHTKMKUFQ-NSHDSACASA-N 439.111 3.249 0 1 IGAF CC1=C(c2ccc3nc(C[C@@](O)(c4nc(C)cs4)C(F)(F)F)[nH]c3c2)NNC(=O)C1 587094971 XHUMQXLKWNBQJZ-GOSISDBHSA-N 437.447 3.076 0 1 IGAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(S)nc(S)nc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587240762 WGHTVEXQPUGKDE-KKRWKGTOSA-N 437.591 3.485 0 1 IGAF CCOC(=O)[C@@H]1CN(C(C)C)C(=O)[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587342510 FCWQZSOHPBPWNI-VAXXYWNWSA-N 441.455 3.059 0 1 IGAF CCOC(=O)C[C@]1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437949 MDKJWZFIYXKDAG-PNIPZHNDSA-N 445.512 3.392 0 1 IGAF Cc1ccc(S(=O)(=O)N2CC3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 587606371 HLFCGLGACUNQLP-FQEVSTJZSA-N 437.473 3.106 0 1 IGAF O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4cccc(OC(F)F)n4)nc3n2)C1)N1CCCC1 1772584748 LPSUZYGCPCABHH-CQSZACIVSA-N 442.470 3.460 0 1 IGAF Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 2356763837 UVHIUENISJGPMN-QDNNMPSSSA-N 434.588 3.095 0 1 IGAF COCC(=O)NC[C@@H]1C[C@H]2CCN1C[C@@H]2c1cc(-c2ccc(C(F)(F)F)cc2)nc(C)n1 2356825752 HFSRMGGFELMEGU-NEWSRXKRSA-N 448.489 3.411 0 1 IGAF CCCCNC(=O)c1ccc2c(c1)[C@H](NC[C@@H]1CCCO1)CC1(CCN(C(C)=O)CC1)O2 2491772 WGRYKCZEQLLLBF-RBBKRZOGSA-N 443.588 3.190 0 1 IGAF COc1cccc(C(=O)NC2(C(=O)c3cc(C)cc(C)c3)CCS(=O)(=O)CC2)c1C 13490031 VVRQROUJOMLDKY-UHFFFAOYSA-N 429.538 3.181 0 1 IGAF O=C(NCCO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F 28712157 DWSUEVLMRQIQIK-UHFFFAOYSA-N 436.171 3.174 0 1 IGAF Cc1nn(C)c(NC(=O)CN(C)CCCN2CCCC[C@@H]2C)c1C(=O)c1ccccc1F 29392784 KRAYBIQNPJXEPH-KRWDZBQOSA-N 443.567 3.233 0 1 IGAF COc1ccccc1N1CCN(CCCN2C(=O)c3cccc4c(N)ccc(c34)C2=O)CC1 45286346 FEUURGIRGWUEIP-UHFFFAOYSA-N 444.535 3.239 0 1 IGAF 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CC1=C[C@@]2(CC(=O)N1[C@@H](C)C(=O)O)c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962636655 IYUKDWWGLKUAMV-NDIWIEOSSA-N 431.536 3.238 0 1 IGAF O=C1NC(=O)C(n2ccc3ccncc32)=C1c1cn(CCCn2ccnc2)c2ccccc12 1857562629 KVDCWDZXPPPARJ-UHFFFAOYSA-N 436.475 3.303 0 1 IGAF COC(=O)CCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SC1CCCCC1 1857617536 AUBRGAXHAIBSRT-UHFFFAOYSA-N 448.994 3.095 0 1 IGAF CCCSc1nc(N2CCN(C)CC2)c2ncc(=O)n(CCCc3ccccc3)c2n1 1857648222 CPEKAYGRHMBMNE-UHFFFAOYSA-N 438.601 3.073 0 1 IGAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CCN1C(=O)CC1CCCC1 61903873 MVQGJQVOXOYRMZ-GOSISDBHSA-N 432.464 3.082 0 3 IGAF COC(=O)/C=C/c1cc(OC)c2c(c1)[C@@H](C(=O)OC)[C@@H](c1ccc(OC)c(OC)c1)O2 6006610 PSIYZHFYCJVWJB-WZIVPHRBSA-N 428.437 3.289 0 1 IGAF CCOC(=O)[C@@H](CCc1ccccc1)O[C@@H](C)C(=O)N1[C@@H](C(=O)O)C[C@H]2CCCC[C@H]21 28756960 YEXQQQZDCCDPJD-OUJGAGHGSA-N 431.529 3.200 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C)C1 95793671 NWJKSWXBZFKDKZ-FQEVSTJZSA-N 438.503 3.090 0 1 IGAF 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Cc1ccc2c(ccc3nc(-c4nn(C)c(C(=O)O)c4I)[nH]c32)n1 587181657 YNKWDUAFTYARMJ-UHFFFAOYSA-N 433.209 3.123 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(N3CCN(C)CC3)s2)N1 587852182 DUOIQDCLEAZIEI-GTNSWQLSSA-N 425.371 3.420 0 1 IGAF CCNC(=O)COc1cc([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)ccc1OC 962623985 CTVXDDZIPCTJFM-WNSKOXEYSA-N 428.529 3.193 0 1 IGAF Cc1ccc(N2CCN(c3ncnc(Nc4ccc(Cl)c(C(N)=O)c4)n3)CC2)cc1C 1772639128 JESHVPGMHMWNEO-UHFFFAOYSA-N 437.935 3.311 0 1 IGAF Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@@H](CO)c1nnc(C2CC2)o1 1772643945 PESGMIFYBLYQQL-KRWDZBQOSA-N 439.516 3.326 0 1 IGAF NC(=O)c1cc(-c2csc(N[C@@H]3CCN(C(=O)OCc4ccccc4)C3)n2)ccc1O 1772655130 HWIAYXHZLFVTNU-MRXNPFEDSA-N 438.509 3.438 0 1 IGAF CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O 8680481 ZBUMYJNFQVAPRU-UHFFFAOYSA-N 430.526 3.273 0 3 IGAF O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)c1ccco1 645208 GVFFKEGMGWTLSP-UHFFFAOYSA-N 429.473 3.182 0 1 IGAF O=C(N[C@@H](Cc1ccc(I)cc1)C(=O)O)c1ccc(Cl)cc1 1582394 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Cc1ccccc1-c1nc(C(=O)N[C@H](CSCc2ccccc2)C(=O)OCCN)co1 82071569 DTXSKAOTQMOCTH-HXUWFJFHSA-N 439.537 3.184 0 1 IGAF O=c1c(NCc2ccccc2)c2n(c(=O)n1Cc1ccncc1)[C@@H](c1ccccc1)CN2 82209031 AJIPUXWRPMGCJY-OAQYLSRUSA-N 425.492 3.080 0 1 IGAF CN1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCCC1)[C@@H]2CO 95795529 WYHNOMMSQAEQKR-UKYPWABBSA-N 447.579 3.061 0 1 IGAF CCOc1ccc(C(=O)Nc2nccc(-c3cccnc3)n2)cc1NC(=O)/C=C/CN(C)C 96928317 CBDAVFKSVAAHQI-SOFGYWHQSA-N 446.511 3.246 0 1 IGAF O=C(c1ccc([18F])cc1)N1CCO[C@H]2C[C@@H](O)[C@H](N3CCC(c4ccccc4)CC3)C[C@H]21 101473829 PILVQYHTDSKTBX-XGDGPSKYSA-N 437.546 3.438 0 1 IGAF Nc1ncc(-c2cc(N[C@H]3CC[C@H](O)CC3)ncc2Cl)nc1NCC1CCOCC1 169703800 ARDSEKSLIINQMP-GASCZTMLSA-N 432.956 3.328 0 1 IGAF C[C@H](NC(=O)C1CC1)c1ccc(O[C@@H]2CCN(c3ccnc(O[C@@H]4CCOC4)c3)C2)cc1 169709812 UNQCUHBWKYECAG-JJEOQYAHSA-N 437.540 3.494 0 1 IGAF COc1cc(/C=C2\C(=O)N3CCC[C@H]3C(=O)N2OCc2ccccc2)cc(OC)c1OC 199490485 ZAMJGPSPQAVSMR-LPGQDOADSA-N 438.480 3.018 0 1 IGAF COc1cc2c(cc1OC)[C@@H](C(CO)CO)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 261307226 NTODIAILSDJENT-HXUWFJFHSA-N 439.430 3.063 0 1 IGAF O=c1c2cc(Cl)ccc2cnn1-c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cn1 587651259 GDTKFCYTGXOQIB-UHFFFAOYSA-N 430.848 3.374 0 1 IGAF O=C(NCc1ccccc1Br)C1CC2(C1)N[C@H](C(=O)O)Cc1cc(F)ccc12 962901756 SUJJZQWZDRAHFL-UARVQCNDSA-N 447.304 3.109 0 1 IGAF Cc1cc(C)c([C@]2(c3ccccc3)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c(C)c1 963208910 URLHGSKNCKCZQQ-BCQCSXDESA-N 440.547 3.385 0 1 IGAF CCOC(=O)C[C@@]1(c2cc(F)c(F)cc2F)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963223525 BGIBUSXAKBYORV-OFNKIYASSA-N 444.409 3.448 0 1 IGAF COC(=O)C1(N)CCC2(CC1)c1ccc(C)cc1C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C 963863481 XQIUOCNQIGCCCT-ZPSAWSNLSA-N 446.544 3.271 0 1 IGAF O=C(CN1C(=O)N[C@@]2(CCc3cc(Br)ccc32)C1=O)c1ccc(F)cc1F 1857566151 CNKRKEVCVHPEJI-LJQANCHMSA-N 435.224 3.304 0 1 IGAF CCC[C@@H]1C[C@@H]2C[C@H](OC(C)=O)[C@](C)(OC(=O)c3c(C)cc(OC)cc3O)C(=O)[C@@H]2CO1 2356284336 XLXJNDZXUDOXCE-RINWIJKGSA-N 448.512 3.351 0 1 IGAF 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CCCCOC(=O)COC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccccc3C)n2)C1 82069634 SUDIHYBRCGGFBY-QGZVFWFLSA-N 428.485 3.389 0 1 IGAF CCCCNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 82213451 RQXDKTCWCOSFGC-RBBKRZOGSA-N 438.572 3.490 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)NC[C@H]1C 95690653 NMVKSNPKIBDAFP-VVBPWWLESA-N 443.519 3.172 0 1 IGAF S=C1NC2=C(CN(CCN3CCOCC3)C/C2=C\c2ccccc2)[C@@H](c2ccccc2)N1 96282920 DBWZUCCIKZXVMG-CAZPATRMSA-N 446.620 3.191 0 1 IGAF COc1cc(-c2ncoc2-c2ccc(OC)c3ncn(CCO)c23)cc(OC)c1OC 96931680 KRTABKJZCBYQHC-UHFFFAOYSA-N 425.441 3.385 0 1 IGAF CN(C)C(=O)c1cccc(Nc2c(N[C@H](CC(F)(F)F)c3ccco3)c(=O)c2=O)c1O 101176497 SDCMXLFUIGWAOW-GFCCVEGCSA-N 437.374 3.132 0 1 IGAF CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2C3CC4CC(C3)CC2C4)cc1F 206993543 YBKLIHPBBHWBDZ-UHFFFAOYSA-N 444.956 3.466 0 1 IGAF N#C[C@H](c1cccc(C(F)(F)F)c1)N1CCN(c2ncnc(N)c2Br)CC1 219313642 UWPDXHHXHOYKOI-CYBMUJFWSA-N 441.255 3.227 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(OC4CCOCC4)c3F)C2)cc1 261163887 RJCVLUPAIATRQR-MGPUTAFESA-N 444.507 3.028 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2nc(Cc3nn(CC)cc3Br)[nH]c2c1 586999547 AMGKMBFJDOTEJZ-UHFFFAOYSA-N 440.367 3.163 0 1 IGAF O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(CCO)cc2[nH]1)c1ccc(F)cc1 587170058 NHDGHVXCKLBWSS-NRFANRHFSA-N 425.485 3.305 0 1 IGAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c3c2)cc1 587203781 MEKKTHHFTFFRPO-LJQANCHMSA-N 438.484 3.221 0 1 IGAF COC(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CC[C@@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437915 LYONOHCLPBJQRT-QABPDZFRSA-N 431.485 3.002 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cc(C(F)(F)F)nc2ncnn12 587868392 MNRGYTXJOMPRHQ-UHFFFAOYSA-N 429.284 3.418 0 1 IGAF COc1cc(OC)c([C@@]2(CCCC(=O)O)NCCc3c2c(C(C)C)nn3C)cc1OC 962913173 BLOJIWGTMKANGD-HSZRJFAPSA-N 431.533 3.214 0 1 IGAF COc1cccc(Nc2ncnc3c2ncn3[C@H]2C[C@@H](NC(=O)c3cccc(C)n3)C2)c1 1772570409 HCRMONBJZIFRIR-CALCHBBNSA-N 429.484 3.415 0 1 IGAF CC1=CC[C@@H]2[C@H](C=C(C)[C@@H]3[C@]4(C)OCC[C@H](C)[C@@H]4O[C@H](C=CC=CC(=O)O)[C@H](O)[C@]32O)C1 2356418659 ROAXMKARTPGXAB-BZRJSBAKSA-N 444.568 3.407 0 1 IGAF Cc1ccc(N(CC(=O)N[C@@H](C)c2ccccc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1 9837931 BIMDWWKWELRPKV-INIZCTEOSA-N 426.542 3.408 0 3 IGAF CCc1ccc(NC(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)C(C)C)cc1 15890124 XTYUWWSWPUECKP-QFIPXVFZSA-N 443.569 3.100 0 3 IGAF COc1ccc([C@H]2SCC(=O)N=C3C2=C(C)NN3[C@H]2CCOC(C)(C)C2)cc1OC 104013657 KWTCKPVSKFCGRA-MGPUTAFESA-N 431.558 3.469 0 3 IGAF O=S(=O)(c1cccc(Cl)c1Cl)N1CCc2c(cccc2N2CCNCC2)C1 3987165 YCASDMXVEXTRNA-UHFFFAOYSA-N 426.369 3.150 0 1 IGAF CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCOC)c1 4043513 ZHYFRPZPKNQNHK-JTHBVZDNSA-N 425.529 3.396 0 1 IGAF O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@H]1[C@@H](O)c1nccs1 13738809 APRVRUVZWFSCQI-IRFCIJBXSA-N 427.570 3.181 0 1 IGAF CCCCOC(=O)C(=O)[C@@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 13833701 YBCYKWLFCIPEMH-MOPGFXCFSA-N 434.533 3.135 0 1 IGAF COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C(=O)[C@H]3COC[C@H]32)cc(OC)c1OC 15161069 UDMGAFIGOTWFTR-VCBZYWHSSA-N 444.480 3.329 0 1 IGAF biogenic CC1CCN(c2c(NCC3CCC(C(=O)N[C@H]4CCCC[C@H]4C)CC3)c(=O)c2=O)CC1 20418589 MSAFLELAJFFFRP-OAHAVBBTSA-N 429.605 3.432 0 1 IGAF O=C(Nc1ccc(Cl)cc1)NC1CCN(C[C@H](O)[C@@H]2COc3ccccc3O2)CC1 27994541 OJYCIFGXJFLJFX-RXVVDRJESA-N 431.920 3.127 0 1 IGAF O=C(NC[C@H](O)c1ccccc1)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1ccco1 82208471 FKYANUQPMHROCJ-BDTNDASRSA-N 440.540 3.309 0 1 IGAF COc1ccccc1CN1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 95585707 YWYSDGQCQVTDFH-UHFFFAOYSA-N 439.600 3.062 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2cnccn2)C1 299884765 UKOVKZHZXBQLHA-RTCJPFEHSA-N 428.577 3.304 0 1 IGAF NS(=O)(=O)c1cccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3C(=O)Cc3ccsc3)[nH]c12 587027581 SCNQAIPSHDESIM-PVAVHDDUSA-N 444.582 3.347 0 1 IGAF CN(C)CCOc1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587113288 OZWNLMCOEJIBNB-UHFFFAOYSA-N 431.422 3.224 0 1 IGAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587203048 HSPRVRQLXNVJCG-SNVBAGLBSA-N 435.244 3.423 0 1 IGAF COc1cc2c3c(c1)O[C@](C)(CC(=O)N(C(=O)CC(C)=O)c1ccccc1C)[C@@H](C2)C3=O 587430107 REJRBOMEEHEAQK-AVRWGWEMSA-N 435.476 3.439 0 1 IGAF CCOC(=O)C[C@@]1(COc2ccccc2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962970359 GNIDEAPFYIJFNP-IERDGZPVSA-N 439.842 3.445 0 1 IGAF O=c1c2nnnn2c2cnc(Nc3ccc(N4CCCCC4)cc3)nc2n1C1CCCC1 1857596010 IZZNPVHUGCIEJZ-UHFFFAOYSA-N 431.504 3.078 0 1 IGAF NS(=O)(=O)Oc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1Br 1911573955 BJOZCMPLUPNHSE-UHFFFAOYSA-N 429.336 3.186 0 1 IGAF CC(=O)O[C@@H](c1nccn1Cc1ccccc1)[C@H]1OC(C)(C)O[C@@H]1[C@H]1COC(C)(C)O1 5763111 UUJOFFOYPMMDCI-YSTOQKLRSA-N 430.501 3.207 0 1 IGAF COc1cc([C@]23OC[C@H](Cc4cc5c(cc42)OCO5)[C@@H]3COC(C)=O)cc(OC)c1OC 28218094 RBZHDMQPGUEKHK-RGUAHJAXSA-N 442.464 3.067 0 1 IGAF Cc1cc(-c2ccc(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)cc2F)on1 43060501 YMEXVHSLOFTLGR-MRXNPFEDSA-N 435.455 3.345 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)(CCCc4ccccc4)C[C@H]4[C@@H](C2)N(C)CC[C@@]341 58482415 HIHIEFXWVUQDNZ-LLHRYVPHSA-N 449.591 3.337 0 1 IGAF O=C([C@@H]1CCCO1)N1CCN(Cc2coc(-c3ccc(OC(F)(F)F)cc3)n2)CC1 72180309 KUONYQIPPHYTPH-KRWDZBQOSA-N 425.407 3.063 0 1 IGAF COc1ccc(CCNc2nc(N3CCC(O)CC3)nc3cc(OC)c(OC)cc23)cc1 82131394 JNSQEWQOSKBXQI-UHFFFAOYSA-N 438.528 3.271 0 1 IGAF O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccncc1)[C@@H](c1ccccc1)CN2 82209796 STWLTZWDSVTUGX-OAQYLSRUSA-N 431.540 3.460 0 1 IGAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc(F)cc2)C1 82214981 YKCKRDBCBAXTMJ-RDJZCZTQSA-N 427.524 3.481 0 1 IGAF CC(C)(C)OC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1 169302575 SKOAXEJXZHNAGS-UHFFFAOYSA-N 425.532 3.178 0 1 IGAF CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@@H](C(=O)NC)[C@@H]1c1ccccc1OC 169720536 UQAYRIRQZVBEML-RZUBCFFCSA-N 435.549 3.464 0 1 IGAF OC[C@H]1C[C@@H](Nc2nc(Nc3ccccc3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O 207462613 INLSRRLZMMDJLX-HSGBFHSBSA-N 449.536 3.011 0 1 IGAF CCN(CCO)c1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1ccn[nH]1 224437455 LGVLWWAOKBGSAZ-UHFFFAOYSA-N 435.406 3.441 0 1 IGAF NC1=N[C@](CF)(c2cc(NC(=O)c3nn(C(F)F)cc3Cl)cc(F)c2F)[C@H]2C[C@H]2O1 226058313 TUCNQDWQUTUTKC-AUWAXLAASA-N 449.767 3.360 0 1 IGAF C[C@H](N[P@@](=O)(Oc1ccccc1)O[C@H]1C[C@H](O)[C@@H](CO)C1)C(=O)OC1CCCCC1 299857628 OECPHGYRAGLETE-CTIRWUJLSA-N 441.461 3.176 0 1 IGAF CCOP(=O)(OCC)[C@@H]1C[C@H](CN2C(=O)c3cccc4cc(N)cc(c34)C2=O)ON1C 473135437 PKMGLHDTGOTPMT-CRAIPNDOSA-N 447.428 3.246 0 1 IGAF O=C(O)c1cc(F)cc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 586943114 ORFWDLDHCLHQLJ-UHFFFAOYSA-N 432.260 3.228 0 1 IGAF CNS(=O)(=O)c1cc(-c2nc3cc(Br)c(OC(C)C)cc3[nH]2)n(C)c1 586947231 KLAHXMVDNVNTNW-UHFFFAOYSA-N 427.324 3.026 0 1 IGAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(Br)c(Br)cc2[nH]1 587204732 SENVAOBFNGOXGE-GFCCVEGCSA-N 446.143 3.167 0 1 IGAF C[C@@H](N1CCN(CCO)CC1)[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587533533 WSPVJQSDMUHMRL-IQGLISFBSA-N 440.609 3.486 0 1 IGAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1S(N)(=O)=O 587839623 HUWMXTZQDFSVJJ-BBATYDOGSA-N 427.339 3.342 0 1 IGAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@](CO)(c2ccc(C(F)(F)F)cc2)N1 962642054 QWEVHTJUMQEABK-NVXWUHKLSA-N 435.320 3.439 0 1 IGAF CCOC(=O)C[C@H](C[C@@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21)C(=O)OCC 962759103 AOWXSVNOYXQTEU-AKCHCHLHSA-N 429.435 3.070 0 1 IGAF COc1ccc(OCC(=O)NC2CCCC2)c([C@@H]2NCCc3c2c(C(C)C)nn3C)c1 962913035 QJQDVDCVIUPSFY-DEOSSOPVSA-N 426.561 3.225 0 1 IGAF COc1ccc2cc(C(=O)OCO[P@](=O)(CC/C=C(\C)CO)OC)c(=O)oc2c1 1857762901 IQGBYAXOAPIBAO-GAEALORGSA-N 426.358 3.101 0 1 IGAF COc1cc([C@H]2CC(c3c(C)n(O)c4cc(C)c(C)cc4[n+]3=O)=NN2)cc(OC)c1OC 1857773705 VIFXYMXQFJLXKB-MRXNPFEDSA-N 439.492 3.183 0 1 IGAF CCOC(=O)c1cccc(NC(=O)N2CC[C@@H](CC(=O)N3CCC(O)CC3)[C@@H](CC)C2)c1 12602877 WDAFHNLBISNMAH-ROUUACIJSA-N 445.560 3.117 0 1 IGAF biogenic CC(C)(C)CCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 13808733 GJIDOEDDEGPTSO-OAHLLOKOSA-N 430.876 3.306 0 1 IGAF CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1 14945648 WFBVMRMNIMMRCE-UHFFFAOYSA-N 432.452 3.167 0 1 IGAF CCCCOP(=O)(OCCCC)OCN1C(=O)[C@@H](CC(C)C)N(C)S1(=O)=O 27626416 YGEZXRHMFGPHCD-OAHLLOKOSA-N 428.488 3.136 0 1 IGAF OC[C@H]1O[C@H](n2cnc3c(Cl)nc(Nc4ccc(Cl)c(Cl)c4)nc32)C[C@@H]1O 31870954 HEEANCXZTNZIAU-TUAOUCFPSA-N 430.679 3.171 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 82198024 AHZPOZKPNDCNGW-CDNPAEQRSA-N 440.540 3.376 0 1 IGAF CCCCO[C@H]1C[C@@H](C(=O)N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)N(C(=O)c2cnccn2)C1 104554057 UKOVKZHZXBQLHA-MRBHHPDMSA-N 428.577 3.304 0 1 IGAF Cc1cc(C)n2nc(CSc3nc(-c4ccccc4)cn3CCN3CCOCC3)nc2n1 113421787 NZCJZAIMQPLQDF-UHFFFAOYSA-N 449.584 3.229 0 1 IGAF C[C@H]1COCCN1c1nc(N2CCOCC2)nc2nc(-c3ccc(Cl)cc3)ccc12 138970876 ZZBDNGJIQGWWHP-HNNXBMFYSA-N 425.920 3.407 0 1 IGAF Cc1ccc(S(=O)(=O)N2CCN(Cc3c(-c4ccccc4)nc4ncccn34)CC2)cc1 473089745 SZEHPWWSHUVJMG-UHFFFAOYSA-N 447.564 3.211 0 1 IGAF CCOC(=O)CC[C@@]1(c2ccccc2OCC)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963465441 CNUQDUMGGQGKTG-CYFREDJKSA-N 427.497 3.285 0 1 IGAF COC(=O)c1ccccc1S(=O)(=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 1254010392 VJEAGNOPILJOMO-XHYAQGIWSA-N 430.570 3.057 0 1 IGAF C[C@H](NC(=O)CO)c1ccc(CN2CC(=O)c3cc(OC[C@@H]4CC4(F)F)ccc3C2)cc1 1772611486 ZWMGEZKYTILYBN-KXBFYZLASA-N 444.478 3.089 0 1 IGAF Nc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)Nc1ccc(S(N)(=O)=O)cc1 1772623201 ZOSFXUWRABBACM-UHFFFAOYSA-N 427.269 3.130 0 1 IGAF COc1ccccc1C(=O)NCc1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1 1857546378 RZOTZSBHSWTZDT-UHFFFAOYSA-N 428.485 3.243 0 1 IGAF Nc1nc(N2CCN(Cc3ccccc3)CC2)sc1C(=O)c1cc2ccccc2oc1=O 1857749337 WOUBVQSECXPAEW-UHFFFAOYSA-N 446.532 3.385 0 1 IGAF CNC(=O)c1cc(OCCCCN2CCN(c3nsc4ccccc34)CC2)ccn1 1857753273 ILCIQMQWVOJQBG-UHFFFAOYSA-N 425.558 3.032 0 1 IGAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(ccc4oc(C(C)C)nc43)nc2-1 1857763753 BAPNMZNMTNWGPU-DEOSSOPVSA-N 431.448 3.344 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@]2(OC(C)=O)C[C@@H]2CC[C@H](OC(C)=O)[C@H](C)[C@]21C 2356670286 JCLSIIMGJPBTMP-XXWNZADZSA-N 448.512 3.385 0 1 IGAF COCCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccc3)[C@H](O)[C@@H]2[C@@H]1C 2356871826 YLMZDLCXQSMJKK-LFHNPAKQSA-N 444.616 3.284 0 1 IGAF CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N(C)Cc1ccccc1)C(=O)OC(C)(C)C 15953052 BEEQQVCKHQMGMF-KRWDZBQOSA-N 428.533 3.168 0 3 IGAF COC[C@H](Cc1cc(OC)c2c(c1)OCO2)[C@H](COC)[C@@H](O)c1ccc(OC)c(OC)c1 14492533 UZBPYMBHWJYLKZ-BSRJHKFKSA-N 448.512 3.242 0 1 IGAF biogenic COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1ccc2c(n1)NCCC2 25998735 OHKIVHLQMSGSHE-FQEVSTJZSA-N 440.544 3.319 0 1 IGAF O=C1c2c(-c3ccccc3)cccc2S(=O)(=O)N1CSc1nnnn1-c1ccccc1 29484088 HKNMOISSFZNBRG-UHFFFAOYSA-N 449.517 3.224 0 1 IGAF CN(C)Cc1ccc(NC(=O)c2cccc(CNC(=O)Nc3ccc(C(N)=O)cc3)c2)cc1 45338777 RZNZSTXLRMIFPT-UHFFFAOYSA-N 445.523 3.421 0 1 IGAF COc1ccc(C(=O)NCCCN(C2=NS(=O)(=O)c3ccccc32)c2ccccc2)cc1 64559356 OSQGNNWFZLIJSJ-UHFFFAOYSA-N 449.532 3.471 0 1 IGAF COc1ccc(CN2CC[C@H](N3CCC(C(=O)c4ccc(F)cc4)CC3)[C@@H](O)C2)cc1 72180784 JJXAUTCHHLDYHX-ZEQRLZLVSA-N 426.532 3.364 0 1 IGAF CCCNC(=O)N1CC2(CCN(CC3CC3)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO 95666658 KMNXFDVGZOTSST-OAQYLSRUSA-N 440.588 3.389 0 1 IGAF O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 95797877 HSPSDHYHFXIRHB-AFMIAGMASA-N 445.563 3.480 0 1 IGAF C[C@H](Cc1ccccc1)Oc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O 377815868 HEKHEZLNSVIDEF-GFCCVEGCSA-N 447.256 3.345 0 1 IGAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cc1 586946518 LPXXQBCKIVAHLM-SNVBAGLBSA-N 429.395 3.244 0 1 IGAF COC(=O)c1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2n1 587006396 MVYQCMGIAUTLMM-UHFFFAOYSA-N 439.269 3.384 0 1 IGAF CC(C)(C)OC(=O)N1CCO[C@@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587595699 QCURHOGALPPHPG-LVCYWYKZSA-N 427.453 3.358 0 1 IGAF CCOC(=O)C(=O)C[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587708210 ZYNKDNLXIRQRPV-GLEZIHRCSA-N 426.204 3.402 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(N3CCN(C)CC3)s2)N1 587852180 DUOIQDCLEAZIEI-APPDUMDISA-N 425.371 3.420 0 1 IGAF O=C(O)CC1(N2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)CN(CCC(F)(F)F)C1 653722922 WQPGXBJNMQFZEF-RBUKOAKNSA-N 425.495 3.078 0 1 IGAF O=C1CC[C@H](NC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CN1 1772624247 CXVWONDPWYGFPN-AWEZNQCLSA-N 430.386 3.449 0 1 IGAF Nc1ccc2c(c1)C[C@@H](n1nc(-c3cc(F)c4c(c3)NCCO4)c3c(N)ncnc31)CC2 1772650092 UZGODYPLGUGUMS-INIZCTEOSA-N 431.475 3.331 0 1 IGAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCO[C@H](CO)C1 1772654414 DPANWAQZCHDYNI-INIZCTEOSA-N 433.386 3.274 0 1 IGAF N=c1[nH]cnc2c3c(n(-c4ccc(NC(=O)Cc5ccc6c(c5)OCO6)cc4)c12)CCC3 1857593444 RJCCYDKKYNSPLT-UHFFFAOYSA-N 427.464 3.232 0 1 IGAF C[C@]1(O)CCN(Cc2cncnc2)[C@H](c2cccs2)[C@H]1NC(=O)c1ccc(F)cc1 2356288656 IOIDLRRUXKXDLU-SJBKTWHCSA-N 426.517 3.174 0 1 IGAF CC(C)C[C@H]1COc2cccc(F)c2S(=O)(=O)N1Cc1cn(Cc2ccco2)nn1 96020681 BWEVXOBQYNDPMU-INIZCTEOSA-N 434.493 3.057 0 3 IGAF CN1[C@H](C(=O)NCc2cccc(Br)c2)C[C@@H]2Cn3c(nc4ccccc43)[C@H]21 253978873 UMLIEVFDAPIGBA-CCKFTAQKSA-N 425.330 3.490 0 3 IGAF CCCCO[C@@H]1C[C@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccco2)C1 4547333 NFAXCFUBEBLAIP-NHCUHLMSSA-N 428.529 3.437 0 1 IGAF COc1ccc(C(=O)O[C@@H]2CC(C)=C[C@H](O)[C@@]3(C)[C@@H]2[C@@](O)(C(C)C)C[C@H]3OC(C)=O)cc1 13432315 QUWQRANGMXSSTD-NMVSFQQOSA-N 446.540 3.277 0 1 IGAF biogenic O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC2(CC1)C(=O)NCN2c1ccccc1 13864306 ZPHNPDOWNMOBPA-UHFFFAOYSA-N 443.887 3.134 0 1 IGAF COC(=O)[C@]12CCCN1C(=O)[C@](Cc1ccccc1)(NC(=O)OCc1ccccc1)CC2 26577695 IKKUIVKTPRDZJW-LOSJGSFVSA-N 436.508 3.222 0 1 IGAF N[C@@]12C=CC=C[C@H]1CN(c1c(F)cc3c(=O)c(C(=O)O)cn([C@@H]4C[C@@H]4F)c3c1Cl)C2 26936074 VDHHYDXQKQWYMJ-QCODWHEGSA-N 433.842 3.035 0 1 IGAF Cc1c(F)cccc1Cc1c(C(=O)N2CCNCC2)c2ccccc2n1-c1ccc(=O)[nH]c1 64513751 DWPCFWJQVCOJTJ-UHFFFAOYSA-N 444.510 3.403 0 1 IGAF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1 82143037 WGMPDKSJWKYTPM-IBGZPJMESA-N 447.539 3.489 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC1CCCC1)CC31CCN(C)CC1 95666381 QHTPXBISZOYEEF-NRFANRHFSA-N 440.588 3.152 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)N(C)C[C@H]1C 95689179 GJRFAEJZYRRRGG-STSQHVNTSA-N 439.556 3.375 0 1 IGAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCCCC3)[C@H]2N1CC1CCCC1 95879251 ZQKJUAGJDWMPNS-CJITYUMSSA-N 439.600 3.048 0 1 IGAF Cc1c(Nc2ncnc(N3CCc4cc(Br)ccc4C3)n2)cccc1C(N)=O 118715218 NGBHRUHVMYQTLZ-UHFFFAOYSA-N 439.317 3.348 0 1 IGAF N#Cc1cc(Oc2ccc(-c3cccc([C@@H](O)[C@H](O)C(N)=O)n3)cc2)ccc1C(F)(F)F 205474097 OHLPNPPUDGBLLM-UXHICEINSA-N 443.381 3.311 0 1 IGAF COc1cc(-c2c3c(c(OC)c4c2OCO4)C[C@@H]2COC(=O)[C@@H]2C3)cc(OC)c1OC 238743633 XOCRMEJCKVXIRT-CHWSQXEVSA-N 428.437 3.005 0 1 IGAF CC(C)(O)[C@@H]1Cc2c(c3c(c4c2O[C@@H](c2ccc(O)cc2)CC4=O)O[C@@H](C(C)(C)O)C3)O1 238751599 MLJXXOUQWDXXEA-CEXWTWQISA-N 440.492 3.248 0 1 IGAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(C[C@H](N)C(=O)O)cc1)[C@@H](C2)C3=O 587434077 QSKLSJRCBXKUHV-WOVHNISZSA-N 429.472 3.341 0 1 IGAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](c2cccnc2)([C@H]2CCCNC2)N1 962923892 GWBDYCIUUMWZFU-VFHOHQAYSA-N 445.519 3.422 0 1 IGAF COc1ccc(-n2c(N)c([C@@H]3NCCc4c(Cl)cc(Cl)cc43)c(O)nc2=O)cc1 963114161 XANCBFYUTQQKPA-QGZVFWFLSA-N 433.295 3.071 0 1 IGAF COc1cc([C@@H]2CC(c3c(C)n(O)c4cc(C)c(C)cc4[n+]3=O)=NN2)cc(OC)c1OC 1857773704 VIFXYMXQFJLXKB-INIZCTEOSA-N 439.492 3.183 0 1 IGAF CCCSc1ccc([C@H]2N[C@@](CC(C)C)(C(=O)OC)[C@H]3C(=O)N(CC)C(=O)[C@@H]23)cc1 61959525 JHYJAVAVTCJPEI-FZONSQQESA-N 432.586 3.412 0 3 IGAF COC(=O)[C@@H](Cc1nc2ccccc2[nH]1)NC(=O)c1cc(-c2ccc(CN)cc2)oc1C 45347544 RKJAMSRYNXMPBS-HXUWFJFHSA-N 432.480 3.104 0 1 IGAF COC[C@H](C)Oc1nc([C@H]2CCCO2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103246825 NOPQNRGOWFWXMS-ZVSSKWCESA-N 436.574 3.078 0 1 IGAF CCOc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(C(F)(F)F)c(NC)n1 169705193 TXYKOSWJXXZQDS-UHFFFAOYSA-N 443.401 3.291 0 1 IGAF Cc1nc(C(=O)Nc2cnn(Cc3nc(C(C)(C)O)co3)n2)c(-c2cccc(Cl)c2)o1 200098781 MCKGCTPVKBJRTK-UHFFFAOYSA-N 442.863 3.411 0 1 IGAF CNC(=O)CN1N=C(c2ccccc2)C2(CCN([C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)C1=O 253731648 AMSDLHMBLLSAKF-ILWGZMRPSA-N 436.600 3.420 0 1 IGAF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 586931862 NBWVFASGHMNPRI-UHFFFAOYSA-N 437.525 3.224 0 1 IGAF COc1cc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cc1F 586941014 BLKKBUXRTNXRRA-UHFFFAOYSA-N 428.489 3.408 0 1 IGAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 586947054 RMTQNXTUHRYIPI-NSHDSACASA-N 427.313 3.389 0 1 IGAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 586960045 UXCKJNSVZGNEEX-CQSZACIVSA-N 436.362 3.081 0 1 IGAF O=C(O)CC[C@]1(c2ccc3c(c2)OCCO3)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962769312 RWSJENDKMQOHJJ-HRAATJIYSA-N 435.398 3.212 0 1 IGAF CC(C)c1nn(C)c2c1[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)C(F)(F)F)NCC2 962918242 HWNDQRPCSVKZSV-RBZFPXEDSA-N 444.498 3.273 0 1 IGAF Cc1c(O)ccc2c1[C@@]1(Cc3ccccc3N(C(N)=O)c3ccccc31)N[C@H](C(=O)O)C2 963513096 XYTJGQWTRZUONS-BVZFJXPGSA-N 429.476 3.316 0 1 IGAF C=CC(=O)N1C[C@H]2CNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn3[C@H]2C1 1772593509 OZXNSRZGLKZDKT-APWZRJJASA-N 429.480 3.052 0 1 IGAF Cc1cc(-c2ccc(C(=O)[C@@H]3CCCC[C@H]3C(=O)Nc3c(C(N)=O)n[nH]c3C)cc2)n[nH]1 1857549813 OTCSUNIYBXRXQU-IAGOWNOFSA-N 434.500 3.143 0 1 IGAF CCn1ccc2cc(OCCCCCN3CCN(c4cc[nH]c(=N)c4)S3(=O)=O)ccc21 1857640337 JDQPAVPYOSXMFZ-UHFFFAOYSA-N 443.573 3.085 0 1 IGAF CCCC(C)(C)C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccc(Br)cc1 61906781 JWQCUGIBOAVQFF-SFHVURJKSA-N 445.379 3.071 0 3 IGAF COC(=O)CCc1cc(OC)c(O)c([C@H](Cc2ccc(OC)c(OC)c2)C(=O)OC)c1 1645305 GYPNOLWZMZCOFY-KRWDZBQOSA-N 432.469 3.023 0 1 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)NCCCN1CCCC1=O 4153460 JUCKBGHXBLOCSK-IRLDBZIGSA-N 441.553 3.367 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CN(C)C(=O)Nc1ccc(F)cc1)n2C 8608017 AWSSOFDCPAOQIF-UHFFFAOYSA-N 447.536 3.407 0 1 IGAF COc1cc(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CC(C)C)cc(OC)c1 11652273 QEQRKYUMVUUZSV-DEOSSOPVSA-N 437.496 3.277 0 1 IGAF biogenic COC(=O)c1ccc(C[C@H](C)NC[C@@H](O)c2cccc(I)c2)cc1 45229503 SIBBJKDLPOEAMV-SCLBCKFNSA-N 439.293 3.332 0 1 IGAF NC(=O)c1ccccc1NS(=O)(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1 45255831 MAVLEFCJGJGCMS-UHFFFAOYSA-N 432.505 3.498 0 1 IGAF c1ccc(Cn2nnnc2[C@@H](c2ccc3c(c2)CCO3)N2CCCN(C3CCC3)CC2)cc1 58575993 NGQFJHWTJYXDMP-RUZDIDTESA-N 444.583 3.306 0 1 IGAF CC(=O)NCCNC(=O)c1cnc(N[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)nc1-c1ccccc1 82133698 QDXGPKZKECAYLI-NXXWWENFSA-N 435.572 3.492 0 1 IGAF O=C(CSc1nnc(Cn2nnc3ccccc32)o1)Nc1ccc(Br)cc1 103208429 XHMGBJSMSZFINH-UHFFFAOYSA-N 445.302 3.356 0 1 IGAF COc1cc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc(OC)c1 167710018 HWCCKQBLPBEWMO-UHFFFAOYSA-N 447.535 3.229 0 1 IGAF O[C@](CN1CCC(OCc2ccccc2F)CC1)(Cn1cncn1)c1ccc(F)cc1F 169323144 SIDDYGBTXYZSEN-HSZRJFAPSA-N 446.473 3.264 0 1 IGAF O[C@H]1CC[C@H](n2ccc(Nc3ncc4c(nnn4-c4ccc(Cl)c(F)c4)n3)n2)CC1 169341694 JAXREJPFRREIOP-BJHJDKERSA-N 428.859 3.419 0 1 IGAF O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2ncc[nH]2)c1 224440993 HSXCQNWYDFFNSJ-CQSZACIVSA-N 449.845 3.463 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N[C@@H](CO)CC(C)C 299885797 WBGCHXONIGVKOA-PPJFZLEHSA-N 430.589 3.095 0 1 IGAF COC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2n1 587140857 HEBGBTKMBRWOJQ-UHFFFAOYSA-N 444.419 3.491 0 1 IGAF N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ncc[nH]c-4n2)cn3C2CC2)C1 587173493 XISLXLVDWWBMHM-ZDUSSCGKSA-N 433.491 3.078 0 1 IGAF O=C(N[C@@H](Cc1nc2cc(Br)c(F)cc2[nH]1)C(=O)O)OCc1ccccc1 587204101 URIAZGWJAQULSF-HNNXBMFYSA-N 436.237 3.387 0 1 IGAF O=C(Cc1ccccc1)NCCc1nc2c(I)cnc(Cl)c2[nH]1 587228195 IPJHTLBIUNCHHC-UHFFFAOYSA-N 440.672 3.117 0 1 IGAF COC(=O)Nc1ccc(-c2nc3c(I)cnc(Cl)c3[nH]2)cn1 587244326 CQUNAAWACUDHOP-UHFFFAOYSA-N 429.605 3.456 0 1 IGAF CCOC(=O)[C@@]1(c2csc(N)n2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587370785 BEZYLTYUGFPBPK-UWJYYQICSA-N 428.441 3.388 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc3c(cc12)OCCCO3 587792888 MYNGNDCCKHWWAH-WVDJIFEKSA-N 433.277 3.479 0 1 IGAF O=c1nc([C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)[nH]n2c(C3CCOCC3)ncc12 1772583054 BYOLYWQLPISLQI-SJORKVTESA-N 447.461 3.090 0 1 IGAF COc1ncc(C2=CCOCC2)cc1NS(=O)(=O)c1cn(Cc2ccccc2)c(C)n1 1857534317 HEYCQGPIBKDOSR-UHFFFAOYSA-N 440.525 3.248 0 1 IGAF N[C@H]1CC[C@H](CN=c2cc(-c3csc(=NCC4CCOCC4)[nH]3)c(Cl)c[nH]2)CC1 1857652819 KDNOGLJANRPOLB-KOMQPUFPSA-N 436.025 3.470 0 1 IGAF O=C(c1nccs1)N1CCN([C@@H]2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2)CC1 1857761497 UXOSJKWFVIEECN-LJQANCHMSA-N 448.548 3.499 0 1 IGAF COC(=O)C=CCC=CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C=C[C@H](O)COc1cccc(Cl)c1 2356331149 FNAMRDZHKYQEBA-RXZUFOQRSA-N 436.932 3.059 0 1 IGAF Cc1noc(C)c1CN1CCN2C(C(=O)Nc3ccc(F)c(Cl)c3)=COC2=NC1=O 205224119 XDARQACDWCZHRR-UHFFFAOYSA-N 433.827 3.188 0 3 IGAF COc1cc(C[C@@H]2CO[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2CO)cc(OC)c1OC 15271202 DUVOJNBKVJQATO-DRSNIGMVSA-N 448.512 3.277 0 1 IGAF biogenic CNC(=O)Cc1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1 36348797 PTTFRUZTSYMLAA-UHFFFAOYSA-N 447.495 3.478 0 1 IGAF CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2)(c2ccccn2)CC1 40872542 QFCKQRBEJXCAIS-UHFFFAOYSA-N 435.977 3.238 0 1 IGAF C[C@H]1CC(=O)c2c(N3CCNCC3)cccc2N1S(=O)(=O)c1ccc2ccccc2c1 66058865 GRRMTRMNWWFPBH-KRWDZBQOSA-N 435.549 3.420 0 1 IGAF Cc1ccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)c5ccccc5)C[C@@H]34)cc2)cc1 95866329 LJKKNOWVDPDCAP-KYPHJKQUSA-N 426.516 3.473 0 1 IGAF O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3[nH]cnc23)c1F)C1CC1 166380750 SMMQTLKZQUWOFV-UHFFFAOYSA-N 443.439 3.341 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@@H]4NC(C(=O)OCC(C)C)=C(C)[C@@H]4C[C@@H]4[C@H](C2)N(C)CC[C@]341 194975123 LCIWAGQFSNMYED-HLIBFZTQSA-N 438.568 3.035 0 1 IGAF CCN1CCC[C@H]2CN(C(=O)c3cc(Cc4n[nH]c(=O)c5ccccc45)ccc3F)C[C@@H]21 199975418 CFIPXNYLHIQJRA-SBUREZEXSA-N 434.515 3.209 0 1 IGAF COc1cc(F)cc(N(CCCO)c2ccc3ncc(-c4cnn(CCO)c4)nc3c2)c1 204168020 SGHUCPHHNVDAPN-UHFFFAOYSA-N 437.475 3.154 0 1 IGAF COc1cc(OC)cc(N(CCNC(C)=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204168797 PRHQXNORMNLDST-UHFFFAOYSA-N 446.511 3.322 0 1 IGAF CCN(Cc1cccc(F)c1)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 204960898 CKGYSTHIUNKLNT-UHFFFAOYSA-N 444.532 3.151 0 1 IGAF N[C@@H](CP(=O)(O)O)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586923657 XURKGFWKZJUOMT-LBPRGKRZSA-N 428.307 3.012 0 1 IGAF CCCCNS(=O)(=O)c1ccc2nc(CNC(=O)c3cc4c(s3)CCC4)[nH]c2c1 587034706 JWLXLIMRVMCXDS-UHFFFAOYSA-N 432.571 3.122 0 1 IGAF O=S(=O)(c1ncccc1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1)C(F)(F)F 587127423 UIAWSVOZGREJCP-UHFFFAOYSA-N 431.705 3.332 0 1 IGAF CC1=C(c2ccc3nc(Cc4ccc(NC(=O)c5cnoc5C)cc4)[nH]c3c2)NNC(=O)C1 587243784 BDOPGUSJTURGGE-UHFFFAOYSA-N 442.479 3.458 0 1 IGAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4c1ccc(C(=O)O)c4N)[C@@H](C2)C3=O 587431435 DZQPDFUCIRATCC-SSOJOUAXSA-N 427.412 3.211 0 1 IGAF CCN(CC)CCNC(=O)c1c(C)[nH]c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1C 587439582 WOANBSSBDWTRIX-HXOBKFHXSA-N 425.529 3.200 0 1 IGAF COC(=O)c1ccc(OCCOc2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1 587559772 NVAHZFXQNWLDLW-UHFFFAOYSA-N 433.420 3.347 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774717 WZKANRVIMZDCRX-FKIZINRSSA-N 435.293 3.283 0 1 IGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(N2CCOCC2)nc1 587863532 MWSYPYGUGBEVDR-UHFFFAOYSA-N 432.402 3.498 0 1 IGAF COc1ccc(CO/C(O)=C2\C(C)=Nc3nnnn3[C@@H]2c2ccc(OC)cc2OC)cc1 618007113 FNIJRPXENIFDRK-YDJIHCHBSA-N 437.456 3.381 0 1 IGAF C[C@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cn3)c2)c2cnccc21 1772600961 WHCSVSPVWLJJKT-CQSZACIVSA-N 449.898 3.445 0 1 IGAF CCOC(=O)[C@H]1[C@@H](NC(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H]2CC[C@H]1N2CCN 1772607927 SKCJKIVSSHLXLW-GPJHCHHRSA-N 443.538 3.387 0 1 IGAF CCc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1 1772635428 RRFVHLBWQUXKCB-HOTGVXAUSA-N 445.449 3.402 0 1 IGAF O=C(NCc1ncccc1F)c1cnn(C[C@H]2CCCN(Cc3nc4ccccc4[nH]3)C2)c1 1857609896 ZFTUVGFPUSGIEI-KRWDZBQOSA-N 447.518 3.136 0 1 IGAF O=C(Nc1ccccc1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Nc1nccc(-c2cccc(F)c2)n1 2356835022 KNGPPFRXKBGDDG-XRXFAXGQSA-N 436.443 3.478 0 1 IGAF CC(=O)Oc1ccc(CN2C(=O)[C@H](CCc3ccccc3)ON=C2c2cnccn2)cc1 61895658 OFDRGGUCRYLZMU-QFIPXVFZSA-N 430.464 3.124 0 3 IGAF COc1ccc(CNC(=O)[C@@H]2Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1OC 61926435 NFZPVCYINDURLZ-QFIPXVFZSA-N 434.448 3.114 0 3 IGAF F[C@@H](Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCN(CCc2ccccc2)CC1 22930973 NYHNMZWAURXHEQ-QFIPXVFZSA-N 432.547 3.490 0 1 IGAF N[C@H](Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)[C@H](c1ccccc1)CO2)c1ccccc1 28127966 UJAOMETUOCOAHK-YADHBBJMSA-N 443.478 3.498 0 1 IGAF O=C(CNC(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCN(Cc2cccc(Cl)c2)C1 29125852 YWINXTHCYWBQQO-GOSISDBHSA-N 439.865 3.479 0 1 IGAF CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cnoc4)cc3)c(F)c2)C(=O)O1 40847212 BBMOCQHQSQDMFI-FQEVSTJZSA-N 438.459 3.232 0 1 IGAF O=C(NC1CCS(=O)CC1)N1CCC(c2nc(-c3ccc4ccccc4n3)no2)CC1 72179589 YRYHDLNNTVFXCZ-UHFFFAOYSA-N 439.541 3.085 0 1 IGAF COc1ccccc1CNC(=O)c1c(O)[nH]c2cc(Cc3ccc(F)cc3)cnc2c1=O 73196281 MDDSNHNYPNDXND-UHFFFAOYSA-N 433.439 3.297 0 1 IGAF C[C@H](COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)NC(=O)c1ccccc1 73298153 OLPSTWWOAPXNKC-XXBNENTESA-N 430.504 3.389 0 1 IGAF O=C1C[C@@H](c2ccccc2Br)C(=O)N1CN1CCN(C2CCCCC2)CC1 84732773 BEJUHEOQKHZUQE-SFHVURJKSA-N 434.378 3.199 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@H](C)N(C)C[C@@H]1C 95679229 FKUUEJXYVSQQBY-PNLZDCPESA-N 431.577 3.251 0 1 IGAF O=C(O)[C@@H]1C[C@H]2C[C@@H](Oc3cc(-c4cccs4)ccc3-c3nnn[nH]3)CC[C@H]2CN1 103279950 FKBRYCIMSDYMEV-IVSAIRAKSA-N 425.514 3.205 0 1 IGAF CCOc1ncccc1-c1nc([C@@H]2CCN2C(=O)c2cc(C)ccc2-n2nccn2)no1 218155344 VWAPJTCYQBYLJV-SFHVURJKSA-N 431.456 3.007 0 1 IGAF Cn1cnc(S(=O)(=O)N2C[C@@H](Nc3cccc(Cl)c3)[C@@H](c3ccccc3F)C2)c1 225864305 QRJOWYRVEKGFJV-IEBWSBKVSA-N 434.924 3.481 0 1 IGAF CC(=O)N(C)[C@@H]1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@H]4C)C3)c(C)c2)C1 261186649 XPNGRYZHYABEFS-STZQEDGTSA-N 427.593 3.143 0 1 IGAF O=C(NCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)OCc1ccccc1 587228730 XJCHWYVEUKVYDZ-UHFFFAOYSA-N 427.404 3.325 0 1 IGAF C[C@H]1CN(Cc2ccc(F)cc2Cl)C[C@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 1772578740 LDKKRBUDFCLKNM-SUMWQHHRSA-N 445.926 3.340 0 1 IGAF CC1(C)Cc2cc(NC(=O)c3cnn4cc(C(F)F)cnc34)c(N3CCOCC3)cc2O1 1857562860 RWLDBBQGCNIFOB-UHFFFAOYSA-N 443.454 3.469 0 1 IGAF COC(=O)[C@]1(CC(C)C)N[C@H](c2ccc(-c3ccc(F)cc3)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21 36386422 VXVLLVKHOLQSHC-QTDDQOEGSA-N 438.499 3.326 0 3 IGAF COCCCN1C(=O)[C@H](CC(=O)NC2CCCC2)CC(C(=O)N(C(C)C)C(C)C)=C1C 169341643 VWVOBNQKHOMVGU-IBGZPJMESA-N 435.609 3.240 0 3 IGAF COC(=O)c1cc2c(c3c4ccccc4n(S(=O)(=O)c4ccccc4)c13)C(=O)N(C)C2 199732568 ZNASGKWWPBLYQG-UHFFFAOYSA-N 434.473 3.404 0 3 IGAF COCCN1C(=O)c2ccccc2[C@H](C(=O)NC[C@H]2CCCO2)[C@H]1c1c[nH]c2ccccc12 254046410 QFWMWBPCPSLZSV-GAZXMLTASA-N 447.535 3.390 0 3 IGAF COc1ccc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1OC 13441805 ZFFDPMCCPRBYOG-FQEVSTJZSA-N 447.553 3.423 0 1 IGAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)cc1CO 13589013 KRHRIRZHIARKBB-UHFFFAOYSA-N 431.823 3.351 0 1 IGAF CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccccc4)cc3)cc21 13678832 PGTXFPCYELLJBT-UHFFFAOYSA-N 432.480 3.123 0 1 IGAF O=c1cc(-c2ccc3c(c2)O[C@H](CO)[C@H](c2ccc(O)cc2)O3)oc2cc(O)cc(O)c12 14442051 QGMULYBZWIWTIF-VWNXMTODSA-N 434.400 3.450 0 1 IGAF biogenic O=C(Nc1[nH]nc(C(=O)NCCc2ccncc2)c1Br)c1ccccc1Cl 28711943 MZVAASJFMAIFSD-UHFFFAOYSA-N 448.708 3.445 0 1 IGAF COc1cccc(CC(=O)Nc2cc(Br)ccc2OCCN2CCOCC2)c1 58540878 XOOXVVBPLQFXPZ-UHFFFAOYSA-N 449.345 3.350 0 1 IGAF CC1(C)C[C@@H](CN([C@H](CCC(F)(F)F)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)O1 73158783 MEIBAUIZWBBTLF-GXTWGEPZSA-N 442.887 3.095 0 1 IGAF CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1cccc(F)c1)c1ccccc1O2 95596791 WQXHDBSIMYWLRO-UHFFFAOYSA-N 425.504 3.112 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)NC[C@@H]1C 95688102 BCNSWJISNLDVIF-PNLZDCPESA-N 425.529 3.033 0 1 IGAF CC(C)(Oc1ccc(F)cc1Cl)C(=O)NC1[C@@H]2CC3C[C@@H]1CC(c1nnn[nH]1)(C3)C2 100387812 SDLVFSDWSGBQTI-FKDLXARLSA-N 433.915 3.412 0 1 IGAF CO[C@]12C=C[C@]3([C@@H]4[C@H](O)C(C)(C)C[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 100576345 BANTYRLFVMBWRP-MEIQIRECSA-N 449.591 3.410 0 1 IGAF CO[C@]12C=C[C@]3(C[C@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@@H]2O5 100842436 RLFSNZBLDVZMLA-MQZQGKQLSA-N 435.564 3.308 0 1 IGAF CC(C)[C@H]1COCCN1c1nc2c(C(=O)N[C@H]3C[C@@H]4CCC[C@H](C3)N4C)cccc2o1 103265309 VMTCKBHBISQSTL-FTEYMNFISA-N 426.561 3.434 0 1 IGAF C#Cc1cccc(Nc2ncnc3cc(OC)c(NC(=O)CCCCC(=O)NO)cc23)c1 114298133 NLRBZONSZRIFBF-UHFFFAOYSA-N 433.468 3.368 0 1 IGAF Cc1nn(C)c(C)c1[C@H](C)NC(=O)COc1cc(C(F)F)c2c(C3CC3)nn(C)c2n1 117510567 HMRNTTNSOLTLME-JTQLQIEISA-N 432.475 3.390 0 1 IGAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccnc(Br)c4[nH]3)c2)o1 586923866 ZBILRQWENXKBMH-UHFFFAOYSA-N 448.302 3.307 0 1 IGAF O=C1C[C@H](c2ccccc2S(=O)(=O)N2CCOCC2)Oc2c1ccc1c2CCCC1 587532863 PKTNGYJYJULYGG-OAQYLSRUSA-N 427.522 3.293 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CN)(c2ncn(Cc3ccccc3)c2N)N1 587759273 ZUPHUHBTEGPQHL-LRTDBIEQSA-N 444.352 3.152 0 1 IGAF Cc1ncc(Cl)cc1C(=O)N[C@H]1CC[C@H](Cn2c(=O)n(C)c3nccc(C)c32)CC1 653684775 OLCBQTWHSHHTFA-JCNLHEQBSA-N 427.936 3.389 0 1 IGAF C[C@H](CO)n1cc(C(=O)c2cc(NC(=O)Cc3ccc(Cl)cn3)ccn2)c2cnccc21 1772597141 MHBWEQOSSJYJHH-CQSZACIVSA-N 449.898 3.445 0 1 IGAF Cc1oc2c([C@H]3CCN(C)C[C@H]3O)c(O)cc(O)c2c(=O)c1[C@H](O)c1cccc(Cl)c1 1772606544 NXKBXMRAJIWSRG-AVBTWRTFSA-N 445.899 3.028 0 1 IGAF CNC(=O)c1ccc(Cl)c(Nc2ncnc(N3CC(Oc4ccc(F)cc4)C3)n2)c1 1772609181 SAGHAHCUCSYREC-UHFFFAOYSA-N 428.855 3.035 0 1 IGAF Cc1cncc(=Nc2ccnc3cc(-c4cnc(N5CCCN(C)CC5)nc4)ccc23)[nH]1 1857587105 UIPFGSREAXTDLL-UHFFFAOYSA-N 426.528 3.098 0 1 IGAF COc1c2c(cc3c1OCO3)[C@]13C=C[C@H](OC)C[C@@H]1N(C2)C[C@H]3OC(=O)c1ccc(C)cc1 1911573559 PRPNRHRXMGYSAX-OHBSULSQSA-N 449.503 3.368 0 1 IGAF O=C(O)C[C@@H]1CCN(S(=O)(=O)c2cccs2)C[C@H]1CC1=NCCc2ccccc21 2356298801 CFVZRZTXGHMBNL-DLBZAZTESA-N 432.567 3.285 0 1 IGAF COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5ccc(OC)cc5c4CCN3C[C@H]2CC[C@H]1OC(C)=O 2356501104 NTXLLYBCTDRDHP-UEASHEQUSA-N 426.513 3.227 0 1 IGAF O=C(NC[C@H]1CCCO1)[C@@H](c1cccnc1)N(C(=O)Cc1cccs1)c1cccnc1 8673009 AZDIDEVIEGEAEJ-DENIHFKCSA-N 436.537 3.150 0 3 IGAF Cn1cnc(S(=O)(=O)N2CC[C@@H]3CC(=O)[C@@H](Cc4ccccc4)[C@@H]4CCC[C@H]2[C@@H]34)c1 211061547 LDZFWNDMGYIAAC-FYTJFPQHSA-N 427.570 3.047 0 3 IGAF C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCc1ccccc1N 4333166 FKQHFKZOQXECJE-HOWWIAPNSA-N 437.540 3.046 0 1 IGAF CC(C)CCNC(=O)c1cnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nc1 6745819 DAXBFBDXGVPOQZ-UHFFFAOYSA-N 449.477 3.234 0 1 IGAF CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3[C@@H]3CCCO3)cc2)cc1 28572073 QCUNVZVJTXUAPQ-SFHVURJKSA-N 439.541 3.175 0 1 IGAF CCN(CC)CCCN1CCN(C(=O)c2cccc(-c3noc(C(F)(F)F)n3)c2)CC1 45201406 DIWSKHVYMDRMKN-UHFFFAOYSA-N 439.482 3.245 0 1 IGAF Cc1ccc(C(=O)NC2CC2)cc1-c1cc2nnc(-c3c(F)cccc3F)n2n(C)c1=O 73197714 BWEZDKUJAAXSDM-UHFFFAOYSA-N 435.434 3.241 0 1 IGAF CC(=O)Nc1ccc(CNc2c3n(c(=O)n(C(C)C)c2=O)C[C@H](Cc2ccccc2)N3)cc1 82205097 JVDOSPVQSCVUKK-NRFANRHFSA-N 447.539 3.198 0 1 IGAF CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC[C@@H](NC)C3)c2c1Cl 95590780 BJBKRFDVPMRYDV-LLVKDONJSA-N 440.964 3.461 0 1 IGAF O=C(Cc1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO 95795300 FCIZOZRMZMLHQR-ONBPZOJHSA-N 444.506 3.233 0 1 IGAF CC[C@@H](Sc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl)C(=O)N1CCOCC1 103623146 QKLLBNGTLQVKOR-OAHLLOKOSA-N 446.964 3.041 0 1 IGAF Cc1noc(C)c1-c1cc([C@@](O)(c2cnccn2)c2c(F)cccc2F)c2[nH]c(=O)[nH]c2c1 220613013 MBDIJSVGEWRGAT-HSZRJFAPSA-N 449.417 3.480 0 1 IGAF CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(OC)ncc5[nH]4)nc3n2)cn1 587131191 WJBKKFYNAFLDBA-UHFFFAOYSA-N 439.430 3.010 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cn1nnn(-c3ccccc3Cl)c1=O)(C(C)(C)C)O2 587376512 DHOAWDRBJHQKMO-QFIPXVFZSA-N 441.919 3.423 0 1 IGAF COc1cc2c3c(c1)O[C@@H](c1c(N4CCCCC4)nc4ccc(C)cn4c1=O)[C@@H](C2)C3=O 587437714 JLKOLJTZNUHBGK-GAJHUEQPSA-N 431.492 3.491 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)OC)CC2=O 587476319 OIYWSXSGKDPCSS-WAIKUNEKSA-N 433.501 3.479 0 1 IGAF C=CN1CC[C@H]([C@@]2(c3cnccn3)N[C@@H](C)Cc3ccc(F)c(Br)c32)C1=O 587768818 MSWCBMQEHZTNRS-SIFORAMQSA-N 431.309 3.148 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(S(=O)(=O)N(C)C)cc2)N1 587839893 JEMCODWHEZXLOH-VOJFVSQTSA-N 427.339 3.462 0 1 IGAF O=C(Cn1c(=O)n(C[C@@H]2CCCO2)c(=O)c2ccccc21)Nc1c(Cl)cccc1Cl 618005652 FGSNIDYMHMEZJR-ZDUSSCGKSA-N 448.306 3.288 0 1 IGAF COc1ccc(NC(=O)[C@H](NS(=O)(=O)c2cccs2)c2ccccc2)c(OC)c1 618005669 YPEXKCMSNWMXAZ-LJQANCHMSA-N 432.523 3.424 0 1 IGAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](Cc2cccs2)(C(=O)O)N1 962926021 SFDRQKRYGNHWRM-UGKGYDQZSA-N 425.462 3.368 0 1 IGAF CCOC(=O)[C@H](C)Oc1ccc([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1OCC 963522113 DZFKRUDEJPYIGV-VELBRHGASA-N 443.496 3.118 0 1 IGAF c1ccc2c(CCN=c3[nH]c4ncnc-4c(NCc4ccc5nonc5c4)[nH]3)c[nH]c2c1 1857556493 DNVLQCVVSPBVES-UHFFFAOYSA-N 425.456 3.011 0 1 IGAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)C[C@@H](O)[C@@](C)(CCl)O4 13436938 NNJJOCIRDTYCJY-ISHFTEKXSA-N 446.883 3.117 0 1 IGAF biogenic CCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 26737159 PNRWOFORTRJIMC-VXKWHMMOSA-N 439.556 3.191 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)C[C@](C)(O)[C@@](C)(O)C2 31418225 OALAICMQHUONTO-ZEQRLZLVSA-N 448.512 3.006 0 1 IGAF biogenic C[C@@H]1CN(Cc2ccc(CC(=O)N3CCC(Nc4ccc(F)c(F)c4)CC3)cc2)CCN1 34849789 HEOZLKUZJWVEOW-GOSISDBHSA-N 442.554 3.404 0 1 IGAF COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c(OC)c1 34858157 GVABCJHORSGLOI-UHFFFAOYSA-N 431.470 3.362 0 1 IGAF CCCCN(CC)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 49072784 LWDWDMLPCSXFDI-IBGZPJMESA-N 430.520 3.187 0 1 IGAF CC(C)Cc1ccc(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@@H]3CCCO3)n2)cc1 82194313 OTLFXMCHEADTJH-ZJOUEHCJSA-N 429.586 3.243 0 1 IGAF CNC(=O)n1nc(C)c2c1C(=O)N(c1cc(C)c3nnc(C)n3c1)[C@H]2c1ccc(Cl)cc1 261085330 CLDFWWPJBAFFIK-SFHVURJKSA-N 449.902 3.442 0 1 IGAF COC(=O)c1cccc(S(=O)(=O)Nc2nccnc2Nc2cc(OC)ccc2C)c1 299822959 RKTYMVKSVUGOGA-UHFFFAOYSA-N 428.470 3.125 0 1 IGAF O=C(NCCN1C[C@H]2C[C@H](n3c(=O)[nH]c4ccccc43)C[C@H]2C1)c1cc2ccccc2[nH]1 299840903 WQIAHGPFPKAAQF-BWTSREIZSA-N 429.524 3.124 0 1 IGAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(O)c1 587240031 FKHQAQUOCSXCAM-UHFFFAOYSA-N 436.493 3.073 0 1 IGAF COC(=O)[C@@H]1C[C@@H]2N(C(=O)OC(C)(C)C)[C@H]1CC[C@@]21Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445630 XDPSTNDRHXZUDB-ATQURMKKSA-N 443.496 3.142 0 1 IGAF CCCNc1cc(OCC)c(Br)cc1-n1c2c(c3c1OC(=O)C3)CC(=O)O2 587937005 OPWLGSWFQOCSBU-UHFFFAOYSA-N 435.274 3.383 0 1 IGAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc([C@@H]3[C@H](C(=O)O)[C@@H]3C(=O)O)[nH]c12 587969812 AFLYSJFJILISGF-BTTYYORXSA-N 433.342 3.333 0 1 IGAF COc1cc2c(cc1OC)[C@@](CC(=O)C(F)(F)F)(c1cnn(C)c1C)N(C)[C@H](C)C2 962622017 IWABXJVAECPLOT-ODXCJYRJSA-N 425.451 3.387 0 1 IGAF CC(C)=CCc1c(O)ccc2c3c([nH]c12)C(C)(C)[C@@H]1C[C@@]24CCCN2C(=O)[C@]1(C3)NC4=O 1772614327 RWBYEKCUNMXINJ-AFWDCEBSSA-N 433.552 3.466 0 1 IGAF O=c1nc(O)ccn1[C@H]1CC[C@@H](CO[P@@](=O)(Nc2cccnc2)Oc2ccccc2)O1 1857618447 GXIRPODFWOBRDX-DDZAJARCSA-N 444.384 3.337 0 1 IGAF C[C@]12C[C@@]34CC[C@@H](O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@H](C[C@@H]1C4)O2 1857771204 BMAXNINVLRQSQC-QGXHKCCTSA-N 445.512 3.250 0 1 IGAF CC1=C[C@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)NCCN1CCOCC1 2356665217 YJCNHKJGOMEMRR-VXNXHJTFSA-N 441.616 3.110 0 1 IGAF COCCNC(=O)C[C@@H]1C[C@H](C(C)C)[C@H](CNS(=O)(=O)Cc2ccccc2)C=C1C 2356860096 UBNXQVIDSUCQEO-FDFHNCONSA-N 436.618 3.113 0 1 IGAF COc1ccc(N(C(=O)[C@H]2CSC(=O)C2)[C@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 13086265 DOERKPMWBFUAPN-UZLBHIALSA-N 441.553 3.359 0 3 IGAF CCCCC(=O)OCC(=O)N1N/C(=C2\C=Nc3ccccc32)[C@H](O)[C@H]1c1ccc(OC)cc1 104000520 SKIUKZGOEWVJID-CMMGRPNPSA-N 449.507 3.305 0 3 IGAF CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)c1nc2c(OCC(=O)O)cccc2o1 13438222 KGEBLJCYDQEPEP-SFHVURJKSA-N 426.425 3.425 0 1 IGAF COC(=O)[C@@]1(c2ccccc2)N[C@H](c2cccs2)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 20150612 QBTIXQCPRPBTAH-SMOZNVCYSA-N 432.501 3.267 0 1 IGAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)Nc2ccc(Cl)cc2)c1=O 25217883 UIJCXEXPDYPDNG-CABCVRRESA-N 444.919 3.128 0 1 IGAF biogenic CCOCCn1nc(CC)c2nc(N3CCC(CO)CC3)nc(Nc3cc(C)ccn3)c21 35934329 YRVSFLWYKOXNHW-UHFFFAOYSA-N 439.564 3.081 0 1 IGAF CCOCCn1nc(CC)c2nc(NC3CCN(C)CC3)nc(Nc3cc(C)ccn3)c21 35998068 MZMOWAKPUKLJGP-UHFFFAOYSA-N 438.580 3.378 0 1 IGAF O=C([C@@H]1CCCN1C(=O)CCn1c(=O)c(-c2ccccc2)nc2ccccc21)N1CCCC1 40863006 KWCKZIJGKMCYCI-QFIPXVFZSA-N 444.535 3.067 0 1 IGAF in-vivo Cc1nn(C)c(C)c1S(=O)(=O)NCCCCCNc1nc(-c2ccccn2)cs1 73164442 ZCPRAJYCISWOHW-UHFFFAOYSA-N 434.591 3.116 0 1 IGAF O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H](c1ccccc1)CN2 82209144 OUVMBRAWFXDQJP-HXUWFJFHSA-N 432.455 3.417 0 1 IGAF Cc1ccsc1C(=O)N1CC[C@@H](N2CCC(C(=O)c3ccc(F)cc3)CC2)[C@H](O)C1 84688578 YJAZSWYOKUIIKH-WOJBJXKFSA-N 430.545 3.366 0 1 IGAF CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cccc(N5CCOCC5)c4)nc23)cc1 84727460 KCFIWVSFAVCRGS-UHFFFAOYSA-N 449.536 3.380 0 1 IGAF CCNc1nc(Nc2cc3c(cc2OC)C(=O)N(CC(C)(C)O)C3)ncc1C(F)(F)F 95578190 ZHMRQZAPJXOLBW-UHFFFAOYSA-N 439.438 3.406 0 1 IGAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)C3CCCC3)C23CN(C(=O)NC(C)C)C3)cc1 95869291 RMGULNDSARJLMH-YATKGYSDSA-N 425.573 3.369 0 1 IGAF O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 95893797 DBXXTOOOPQPQGK-OASJLCFRSA-N 426.516 3.174 0 1 IGAF CO[C@H]1CN(c2nc(C)c(C(=O)O)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl 136326521 ONJLYLNWDCXKKA-ZJUUUORDSA-N 447.344 3.117 0 1 IGAF Cc1nc(Cc2nnc(N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c(C)c2C)no1 139565901 UQRFQYRVYFKNLW-UHFFFAOYSA-N 433.438 3.116 0 1 IGAF O=C(Cn1ccc2cccnc21)N1CCN(c2scnc2-c2nc3ccccc3[nH]2)CC1 143801142 PBCJRRXGUPLXCR-UHFFFAOYSA-N 443.536 3.385 0 1 IGAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(OC)c(OC)cc4[nH]3)c2)o1 586923570 QLYVLFGSUAQHOQ-UHFFFAOYSA-N 428.470 3.166 0 1 IGAF COc1cc(Br)c([C@H](N)c2nc3ccc(OCCN(C)C)cc3[nH]2)cc1OC 586975062 JTGUTRLIBYZSRG-IBGZPJMESA-N 449.349 3.331 0 1 IGAF Cn1nc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c(I)c1C(=O)O 587180368 PJIQMFPQMNWLSU-UHFFFAOYSA-N 436.131 3.285 0 1 IGAF COc1ccc([C@@]2(COCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587798875 ZVKGCJVCHPSCJP-FKIZINRSSA-N 438.293 3.476 0 1 IGAF CCN1CC[C@@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)[C@H](C(=O)OC)C1 962964308 ZUPNXUBDCCLPSS-LAUBAEHRSA-N 426.479 3.067 0 1 IGAF O=C(NCc1ccc(S(=O)(=O)c2cncc(Cl)c2)cn1)c1cc2ccncc2o1 1772604726 VJIPRMTVAATJNO-UHFFFAOYSA-N 428.857 3.034 0 1 IGAF CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc([C@H](O)CNC(C)(C)c2ccccc2)c1 1772619683 VQOQSTLTDFPMIP-HXUWFJFHSA-N 429.517 3.366 0 1 IGAF COC(=O)CNC(=O)CCCc1ccc(OCCCNC(C)=O)c(CCCC(C)C)c1 1857650470 NICDQAITWQJICK-UHFFFAOYSA-N 434.577 3.182 0 1 IGAF CCO[C@H]1O[C@@H](OCC)[C@H](O)[C@@]1(O)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C(=O)O)=CCC[C@@H]21 2356486207 JFCPPPHVVNHFMB-BLRUAXRRSA-N 440.577 3.478 0 1 IGAF CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N[C@H]1c1ccc(C(F)(F)F)cc1 61958865 BKTUEKAILNBVIQ-INIZCTEOSA-N 430.404 3.137 0 3 IGAF CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 4044114 SSPYIAHAWQJJAJ-IRLDBZIGSA-N 440.569 3.035 0 1 IGAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCC(C)(C)CO 4045596 RKLFOPXHYWNILM-GGAORHGYSA-N 439.556 3.378 0 1 IGAF Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4ccc5ccccc5c4O3)O2)c(=O)[nH]c1=O 13561184 ZHKOLIRMRROCEX-KGGRTRCXSA-N 442.364 3.186 0 1 IGAF CCNC(=O)C[C@@H]1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c2ccccc21 13601421 AZOZPLOXIUSJFU-INIZCTEOSA-N 433.277 3.381 0 1 IGAF Cc1ccc(S(=O)(=O)NCCC2CCN(C[C@@H]3COc4ccccc4O3)CC2)cc1 13813628 KZCXDHLCHUSVLI-HXUWFJFHSA-N 430.570 3.215 0 1 IGAF COc1cc2c(cc1OC)[C@@]1(O)C(=O)c3cc(OC)c4c(c3O[C@H]1CO2)C=CC(C)(C)O4 14721549 VSSFKDAMVNYAEJ-CYFREDJKSA-N 440.448 3.121 0 1 IGAF biogenic O=C(NCc1ccc(Br)cc1)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 28523883 SXGBEPFLZNFYPU-WOJBJXKFSA-N 429.362 3.349 0 1 IGAF CCC[C@H](CC(=O)O)n1c(=O)c2ncccc2n(Cc2cn(C)c3cccc(C)c23)c1=O 68244712 CJGPOTAFUMLARZ-QGZVFWFLSA-N 434.496 3.223 0 1 IGAF COc1ccc(C(=O)C2CCN([C@H]3CN(Cc4ccc(F)cc4)CC[C@@H]3O)CC2)cc1 72179836 GGWHRNYEIAGSEC-ZEQRLZLVSA-N 426.532 3.364 0 1 IGAF CN(C)CCCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccccc21 73221640 KAKNBLVUBRXYQD-UHFFFAOYSA-N 444.539 3.329 0 1 IGAF C[C@@H](NC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1)c1ccc(F)cc1 82192075 QUAZJFGMPMQHOE-FHZYATBESA-N 448.498 3.293 0 1 IGAF O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccco1 82210665 GEMFAOSNFXBEKN-GOSISDBHSA-N 446.438 3.058 0 1 IGAF O=C(c1cc(F)ccc1-c1ncccn1)N1C[C@@H]2CN(c3cnc4ccccc4n3)C[C@@H]2C1 116828234 RUEIQQRBMMEJMQ-CALCHBBNSA-N 440.482 3.434 0 1 IGAF C=C1[C@H]2C[C@]3([C@@H]1OC(C)=O)[C@H]1C[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)[C@@]4([C@@H]1N(CC)C5)[C@@H]3CC2=O 139334110 UWFHTWFQCDQGKI-UQLLBUQISA-N 441.568 3.142 0 1 IGAF CN(c1ccc(C(=O)Nc2ccccc2F)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1 141997823 MSCOEUNMDAYIKT-MRXNPFEDSA-N 431.475 3.459 0 1 IGAF COc1cccc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1OC 167689534 JWELOUWAXJITKQ-UHFFFAOYSA-N 447.535 3.229 0 1 IGAF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(Cl)cnc3[nH]2)c1 586951599 QMGNPUFLUIPHKC-UHFFFAOYSA-N 427.711 3.482 0 1 IGAF COc1ccc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)c(I)c1 587180084 LGMYGBHUOQNOAM-UHFFFAOYSA-N 430.223 3.090 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2nc(C[C@@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 587216363 AHBHILQNLNCNEB-HXUWFJFHSA-N 428.558 3.322 0 1 IGAF CNS(=O)(=O)c1sccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611038 ZCHQQYMYMNYDTG-OXJNMPFZSA-N 431.491 3.239 0 1 IGAF Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2C[C@H]3C[C@@H](CN(C(=O)c4ccccc4)C3)C2)cc1 653791871 GLSZVPPAXQUZCN-FIXSFTCYSA-N 445.563 3.107 0 1 IGAF CC1=C[C@]2(/C(=C/NOCc3ccc(C)cc3)C(=O)O1)c1ccsc1CCN2C(N)=O 962713262 UBNVFMPCOZUUML-YGYUYSJASA-N 425.510 3.255 0 1 IGAF C[C@@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2c(F)cccc2C[C@H]2CCCN21 963096922 DZPCLZALSRIOSH-AUSIDOKSSA-N 430.545 3.131 0 1 IGAF Cc1cccc2c1[C@]1(C[C@@H]3CNC(=O)C[C@H]3C1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963842206 VOBALQYSZRTDIY-MXEPURNFSA-N 428.529 3.373 0 1 IGAF O=C1Nc2cccc(Br)c2C12CCN(c1nc(O)c3c(n1)CCCC3)CC2 1857621035 VFISXTZNNUCHQR-UHFFFAOYSA-N 429.318 3.314 0 1 IGAF COc1cc(C[C@H]2COC(=O)[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1O 2356397610 GILRSQFSEAWGIA-HOTGVXAUSA-N 432.469 3.010 0 1 IGAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)N[C@H](CO)C(=O)OC 2356734185 XDFZRFBIZJREOQ-IVAOSVALSA-N 439.593 3.070 0 1 IGAF CCO[C@@H]1OC(C(=O)N2CCN(C)CC2)=C[C@H](c2csc3ccccc23)[C@H]1CCCO 13656905 SYQRGPGMLHBYGB-YDIMBITNSA-N 444.597 3.424 0 3 IGAF O=C(O)Cc1nn(Cc2nc3cccc(Br)c3s2)c(=O)c2ccccc12 13860760 HDELGQNDAPEWPY-UHFFFAOYSA-N 430.283 3.444 0 1 IGAF CS(=O)(=O)Nc1cc([C@@H](O)CN[C@H](Cc2ccccc2)c2ccsc2)ccc1O 26815757 XWSXEKBJKIHRDY-NQIIRXRSSA-N 432.567 3.432 0 1 IGAF COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC 40881081 XQXXTTFZQSPXBR-RKTMXUFFSA-N 428.437 3.063 0 1 IGAF C[C@H]1Cn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@@H](C(=O)O)C4=O)cc2CN1 45257025 FGXDJMUYYHVSTF-APPDUMDISA-N 431.439 3.114 0 1 IGAF CC[C@H](C)C(=O)C(=O)N1CCCC[C@H]1C(=O)OCCCc1cc(OC)c(OC)c(OC)c1 66111560 UBCICOPKLTVUSO-WMZOPIPTSA-N 449.544 3.185 0 1 IGAF COc1ccccc1NC(=O)N1CCCCN1C(=O)[C@H](CC1CCCC1)CN(O)C=O 69058778 KGUZULGGUMICIO-GOSISDBHSA-N 432.521 3.111 0 1 IGAF CS(=O)(=O)Nc1ccc(OC[C@H](O)CN2CCC(c3ccc(Cl)cc3)CC2)cc1 84462262 GISCYOSSBXGMDU-HXUWFJFHSA-N 438.977 3.331 0 1 IGAF CC1=C2[C@@H](O)[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@@H](C)CN[C@H]1[C@H]2C 85542304 NURPXYQPDMVKOY-IAGVWWGSSA-N 443.628 3.232 0 1 IGAF biogenic,in-vitro Cc1cccc(-c2nn(-c3ccc(F)cc3F)cc2CNCCN2CCN(C)CC2)c1 96938984 QPBDINQDHOOPHU-UHFFFAOYSA-N 425.527 3.463 0 1 IGAF COc1nc(N2CCN(C)CC2)nc(OC)c1Sc1cccc(NC(=O)C2CCC2)c1 103254991 NPWFABLIZANZRK-UHFFFAOYSA-N 443.573 3.135 0 1 IGAF CN1CCN(CCCNC(=O)[C@H]2C(c3cccc(Cl)c3)=NO[C@H]2c2ccsc2)CC1 104250932 UYXNOPDNNHCXGE-FPOVZHCZSA-N 447.004 3.247 0 1 IGAF Cc1noc(-c2ccccc2C(=O)N2C[C@H]3CN(c4nc(C)c(Cl)c(C)n4)C[C@@H]3C2)n1 116822260 ZRIOTSIYIHKQDH-HOTGVXAUSA-N 438.919 3.314 0 1 IGAF Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1C1=C[C@@H](N)[C@H](O)CC1 140136923 WTOKEDYFEBJMDY-YLJYHZDGSA-N 437.450 3.122 0 1 IGAF O=C(NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Cl)cc1 149094834 HNXRNVIOVADQKE-UHFFFAOYSA-N 447.929 3.058 0 1 IGAF Oc1nc(NCc2ccccc2)c2nc(C3CCN(c4nccnc4Cl)CC3)nc-2[nH]1 587084525 BYLFQZSVKBBHLW-UHFFFAOYSA-N 436.907 3.450 0 1 IGAF CC1=C(c2ccc3nc(-c4cc5n(n4)[C@@H](C(F)(F)F)C[C@@H](C)N5)[nH]c3c2)NNC(=O)C1 587123816 KBHHZLGRKHMCAD-MEBBXXQBSA-N 431.422 3.489 0 1 IGAF COc1cc2c(-n3[nH]c(-c4ccccn4)nc3=N)ncnc2cc1OCc1ccccc1 653693935 TZFYIMBTORPMBC-UHFFFAOYSA-N 425.452 3.273 0 1 IGAF N=C1NC(N2CCOCC2)=N[C@@H](c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)N1 1857561829 UVBSLKUYXZBPIB-FQEVSTJZSA-N 435.919 3.007 0 1 IGAF Cn1c(-c2csc(C3CCN(CC4=N[C@H]5C=CC=N[C@@H]5N4)CC3)n2)nc2ccccc21 1857597479 NSXFCOAQTRXPAW-LAUBAEHRSA-N 431.569 3.213 0 1 IGAF Cc1ncccc1-c1cccc(N2C[C@H](N3CCN(C(=O)c4nccs4)CC3)CC2=O)c1 1857645360 SCHQSYIDSWSFFM-HXUWFJFHSA-N 447.564 3.077 0 1 IGAF CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCC(C)(C)CO)c1 769937 CRLKSFBBOAJOAB-GMAHTHKFSA-N 439.556 3.378 0 1 IGAF COc1ccc([C@@H]2N[C@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc1 9598226 WXLDDNHCXBQERH-XHOYROJHSA-N 440.471 3.154 0 1 IGAF C[C@@H](CC(=O)NC(=O)c1coc(/C=C/CCCCCCCCC(=O)O)cc1=O)C(=O)O 14439498 OKGLROPOZIVCCZ-HQPKTYMTSA-N 435.473 3.226 0 1 IGAF O=C(N[C@@H]1CN(C(=O)Nc2ccc(F)cc2)CCC[C@H]1O)c1ccc(OCC2CC2)cc1 15672160 ZIORYZOVQXFRSA-FGZHOGPDSA-N 441.503 3.402 0 1 IGAF biogenic O=C(c1ccc(S(=O)(=O)NCc2cccnc2)o1)N1CCC(Cc2ccccc2)CC1 35597410 HTLSDTBWQMTFCN-UHFFFAOYSA-N 439.537 3.248 0 1 IGAF CC(=O)N1CCN(C(=O)c2cccc(Sc3cnc(Nc4cnccn4)s3)c2)CC1 36184861 ZKHQLWLCSPCQIW-UHFFFAOYSA-N 440.554 3.132 0 1 IGAF C[C@H]1Cn2cc(-c3ccc4c(c3OC(F)F)N(C3CC3)C[C@H](C(=O)O)C4=O)cc2CN1 45257022 FGXDJMUYYHVSTF-GTNSWQLSSA-N 431.439 3.114 0 1 IGAF COc1ccc(-c2cc(-c3c(OC)cc(OC)c([C@@H]4CCN(C)[C@H]4CO)c3O)n[nH]2)cc1 58541722 GENLJWUZXVGFPA-APWZRJJASA-N 439.512 3.255 0 1 IGAF O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)C1 60326296 COACPTNNJAFVAN-UHFFFAOYSA-N 448.182 3.269 0 1 IGAF in-vitro CC(C)n1cnc(Nc2nc(N3CCN(C(=O)Cc4ccccc4)CC3)nn3cccc23)c1 66066346 JBGHJFSFWWBYMZ-UHFFFAOYSA-N 444.543 3.142 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@H]1C(=O)NCCc1cccc(OC)c1OC 82199918 PARIKLUSVYAWIS-XGJJRQPBSA-N 432.561 3.115 0 1 IGAF COc1cc2c(cc1OC)-c1c(-c3cnc(C(=O)NC4CCOCC4)s3)ncn1CC2 84596431 BTYONSNIAIDRLB-UHFFFAOYSA-N 440.525 3.156 0 1 IGAF N[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1cccc(F)c1 88260982 BVNAPVIOPJPIJW-GOTSBHOMSA-N 432.561 3.134 0 1 IGAF O=C(NCCCNc1nc(Nc2cnn(C3CCOCC3)c2)ncc1C1CC1)C1CCC1 95562389 BPUHLRZXPRJIDO-UHFFFAOYSA-N 439.564 3.364 0 1 IGAF COC(=O)N(C)C[C@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@@H]1C 95663808 CPFCVXYAQBATNY-YZZKKUAISA-N 440.540 3.410 0 1 IGAF CN1CCN(CCCNC(=O)[C@H]2C(c3ccc(Cl)cc3)=NO[C@H]2c2ccsc2)CC1 104199907 WBMUSPXXVDKBJN-FPOVZHCZSA-N 447.004 3.247 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594791 JBCQYQPNGPUDHP-MHECFPHRSA-N 442.464 3.491 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C2\NC(=O)CS2)(c2cccnc2)N1 587860106 ZXMVQHXLOVZDKH-NPGNOVARSA-N 434.334 3.465 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O 587868863 VTECBDBTPMLJFQ-KRWDZBQOSA-N 448.401 3.066 0 1 IGAF COC(=O)C[C@@]1(c2c(F)cccc2Cl)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963228087 HYKASMAMYAMBDT-PGRDOPGGSA-N 428.847 3.433 0 1 IGAF CC1(N)CCC(Nc2ccn3[nH]cnc(=Nc4cc(O)cc(Br)c4)c23)CC1 1857584516 OPHQVUNMCJRXJP-UHFFFAOYSA-N 431.338 3.435 0 1 IGAF COc1ccc(C(=O)N2[C@H](C)CN(C(=O)c3cc(NC(C)=O)ccc3F)C[C@H]2C)c(F)c1 1911580062 BRPDMPOGRWGGPQ-ZIAGYGMSSA-N 445.466 3.307 0 1 IGAF C[C@]1(O)CCN(C(=O)COc2ccccc2)[C@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356289133 QEQHTRNQKSXOMI-USZFVNFHSA-N 436.552 3.465 0 1 IGAF CC=C(C)C(=O)O[C@H](C)[C@](C)(O)C(=O)OC(C)(C)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 2356461203 YDSKNOVPIQXATI-NLWZSEAUSA-N 444.480 3.067 0 1 IGAF CC(=O)N[C@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)NC=Cc1c[nH]c2ccccc12)C(C)C 2356629544 IODNETMCEHQSGF-VXKWHMMOSA-N 426.561 3.289 0 1 IGAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@H](CO)C(=O)OC 2356734187 XDFZRFBIZJREOQ-PLACYPQZSA-N 439.593 3.070 0 1 IGAF CS(=O)(=O)N1CCCC[C@H]1c1cc(C(=O)NCc2ccc(Cl)c(Cl)c2)no1 61905920 OMQZKPXINSHKAL-HNNXBMFYSA-N 432.329 3.398 0 3 IGAF CC(C)c1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOCCO)cc1 4039622 LXOLVVKRGYUFAM-VWNXMTODSA-N 439.556 3.093 0 1 IGAF CCOc1cccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2=O)c1 4050518 MIQRXNWKBJVGNS-ISKFKSNPSA-N 435.524 3.306 0 1 IGAF Cc1cc(C)c2c(c1)CO[P@@](=O)(OC[C@@H]1CC[C@@H](n3cnc4c(N)ncnc43)O1)O2 29391683 KUVGHHLFOMVIIJ-HXMUGFDJSA-N 431.389 3.437 0 1 IGAF CCCCCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 40848970 SLGBAFYURUZUNX-HFXSLSFNSA-N 440.584 3.021 0 1 IGAF COc1cc2nc3c(c(CN4CC[C@H](O)C4)c2cc1OC)Cn1c-3cc2ccccc2c1=O 58554899 KLBXXNZJDVOAIF-INIZCTEOSA-N 443.503 3.162 0 1 IGAF CC(=O)NCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1ccccc1F 82153134 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OFEGJVVVDBPCKY-DYESRHJHSA-N 440.249 3.497 0 1 IGAF Cn1nc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c2ccccc2c1=O 587661508 PSKQBDOHKJEXMO-UHFFFAOYSA-N 426.407 3.138 0 1 IGAF CC(=O)NCCN[C@@H]1CCc2c(sc3ncn(Cc4cccc5ccccc45)c(=O)c23)C1 1772576605 IUHADGPCUWQVPF-LJQANCHMSA-N 446.576 3.243 0 1 IGAF CN1CCc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NCC(F)F)nc2C1 1772637620 OPFNFNXTVSGTOP-UHFFFAOYSA-N 439.457 3.468 0 1 IGAF CS(=O)(=O)CCn1c(CN2C(=O)C3(CC3)c3ccncc32)cc2ccc(Cl)cc21 1857553062 QUPXIHYJWKUDMD-UHFFFAOYSA-N 429.929 3.313 0 1 IGAF C[C@@]1(c2ccc(F)cc2)N=C(c2nccs2)NC(CN2CCOCC2)=C1c1ncco1 1857576270 GSQXSKADQPDDCH-QFIPXVFZSA-N 439.516 3.279 0 1 IGAF CN1CCC[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 1857630141 DYLXDNUFGKZZOW-SFLYRZDNSA-N 430.552 3.032 0 1 IGAF CCO[C@]12C[C@@H]3[C@H](CC[C@@H]4[C@@]5(C(=O)OC)CCC[C@]43[C@@H](OC)OC5)[C@H](C)C1=CC(=O)O2 2356333768 WEBYMNDFYQNFAA-KARYWAISSA-N 434.529 3.217 0 1 IGAF COc1ccc(C(=O)N2CC[C@@H]3CC(=O)N(Cc4ccc5c(c4)OCO5)CC[C@@H]3C2)cc1 2356858009 SOUGBPSPZXPGRX-WOJBJXKFSA-N 436.508 3.325 0 1 IGAF CC[C@]1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O 12026548 KQYKLQASQVGJEY-NTKDMRAZSA-N 439.512 3.032 0 1 IGAF COc1ccc(C(=O)CSc2nnc(CSc3nc4nc(C)ccn4n3)o2)cc1 40917311 DNNRXYGUWSBULV-UHFFFAOYSA-N 428.499 3.092 0 1 IGAF COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H]3C(=O)NCc3ccco3)cs2)c1 82085159 CDICMGXFGWIMEC-IBGZPJMESA-N 441.509 3.341 0 1 IGAF CC(=O)NCCNC(=O)c1cnc(NCCc2ccc(C)cc2)nc1-c1cccc(C)c1 82147392 KTAGTXIZAJIIDC-UHFFFAOYSA-N 431.540 3.281 0 1 IGAF CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NCCO)cc1 82192294 UAUZWQMZFSTYSH-GHZUOVKESA-N 436.552 3.118 0 1 IGAF CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)[C@@H]2CC[C@H](C3)N2C)cc1 95585956 KYHDRKVDXZQWIA-CVAIRZPRSA-N 436.560 3.202 0 1 IGAF O=C(NC1CCCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 95797656 IKXDXEPDXROJHG-ZDXQCDESSA-N 437.515 3.116 0 1 IGAF O=C(c1cccc(F)c1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 95875727 CCWJFBVUUQTVRE-UBFVSLLYSA-N 446.526 3.348 0 1 IGAF CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(F)c(F)c1 101129454 PJBCNDYSDXMUJE-HNNXBMFYSA-N 429.423 3.275 0 1 IGAF COc1ccc(Nc2ncc(CNc3cccnn3)cc2-c2nc(C)nc3[nH]cnc23)cn1 113153257 PNRRJQHHULTYQS-UHFFFAOYSA-N 440.471 3.273 0 1 IGAF COCCCCn1c(C(=O)N(CC(C)C)[C@@H]2CNC[C@H](C(C)(C)O)C2)nc2ccccc21 118334054 BWXJQSHHZGLMLF-UXHICEINSA-N 444.620 3.310 0 1 IGAF COc1cc2nc(N(C)C[C@@H](O)c3ccccc3)nc(NC[C@H]3CCCO3)c2cc1OC 299887271 YNWGCVKRFOWXNP-YLJYHZDGSA-N 438.528 3.408 0 1 IGAF Cc1ccc2c3c(cc(-c4cc5c(=O)n(C)c(=O)n(C)c5n4C)nc13)-c1ccccc1C2=O 587096400 AJCAIDQYEOZKMO-UHFFFAOYSA-N 436.471 3.311 0 1 IGAF O=C(c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1)N1CCN(CCO)CC1 587131550 NFHCELAIEJEYOL-UHFFFAOYSA-N 440.494 3.195 0 1 IGAF CCOc1ccccc1S(=O)(=O)N1CC2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587531271 HGDIJXMQHAMOTQ-UHFFFAOYSA-N 427.522 3.373 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(Cl)ncnc1N1CCOCC1 587551669 IIARQGFVZHNWFI-JXFKEZNVSA-N 439.855 3.375 0 1 IGAF CCC(=O)N[C@H](O)[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587574218 WDIAKLKGNYENNO-FTBPSBKWSA-N 433.460 3.402 0 1 IGAF CNC(=O)COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587743542 OUZHVAQDAXSSCN-PRWKNARSSA-N 437.309 3.345 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1SCC2(CO)CO 587853538 AEQUGHKEZNPTPO-ODXCJYRJSA-N 438.362 3.443 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2ccc3c(c2)OCCO3)c2cc(OC)ccc2CCN1C(C)C 962088880 GXMASYKCZCFHDR-RUZDIDTESA-N 439.508 3.109 0 1 IGAF COc1ccnc([C@@H]2c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)n1 962629888 INGLHTGRAQUASV-WMZOPIPTSA-N 427.457 3.024 0 1 IGAF C[C@@H](c1ccc2c(c1)CCO2)N(C)Cc1ccc2c(c1)OC[C@H](CN1C(=O)CCC1=O)O2 1772582934 PFZWUNOLHAYZRC-JXFKEZNVSA-N 436.508 3.103 0 1 IGAF CN(C)c1ncc(-c2ccccc2[C@H]2CCCN(C(=O)c3cccc(C(N)=O)c3)C2)cn1 1772607128 ONZGTIJDQVUZGT-IBGZPJMESA-N 429.524 3.328 0 1 IGAF NCCCCCCCNCc1ccc(CNC(=O)c2csc3ncnc(O)c23)cc1 1857539444 OMTOOGXTMYMBSR-UHFFFAOYSA-N 427.574 3.326 0 1 IGAF Cc1[nH]c(C(=O)Nc2ccc(C(=O)NCC(=O)O)c(OC(C)C)c2)c(Cl)c1Cl 1857636693 TVWSYOBAZIYBJR-UHFFFAOYSA-N 428.272 3.484 0 1 IGAF O=C(NCCCN=c1nc(-n2ccc3cccnc32)cc[nH]1)c1ccc(C(F)(F)F)cc1 1911574320 OZTGUSVXQLRWDN-UHFFFAOYSA-N 440.429 3.488 0 1 IGAF CCCn1c(=O)n(Cc2ccccc2F)c(=O)c2[nH]c(Cc3ccc(NC(C)=O)cc3)nc21 13554314 YFHNPGIJDUGUBU-UHFFFAOYSA-N 449.486 3.033 0 1 IGAF COC(=O)c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@@H]4C3=O)[C@@H]3C[C@H]53)c2)cc1 13617879 MXPJBCSKVPHJGA-NALHQMNBSA-N 442.471 3.283 0 1 IGAF COc1cc([C@]2(OC)OC[C@@H]3[C@@H](c4ccc5c(c4)OCO5)OC[C@@H]32)cc(OC)c1OC 14764649 RQWOTJIYANUWKC-QQGMGGKWSA-N 430.453 3.274 0 1 IGAF biogenic,in-vitro CC(C)[C@H](C(=O)NCc1ccco1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 15957154 RZLQVWRMJJDCKY-NTKDMRAZSA-N 434.496 3.137 0 1 IGAF biogenic COc1ccc(C(=O)c2ccc3c(-c4ccc(OCC(=O)NCCO)cc4)nocc2-3)cc1 28569109 CWLVTLYUDSXSFR-UHFFFAOYSA-N 446.459 3.173 0 1 IGAF CC(C)c1cc2c(cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2 32052307 HFPIAZZCXLZSFQ-UEYKPMBOSA-N 448.600 3.019 0 1 IGAF NCCCCCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1 58590959 IALLWEYPZHBRLF-UHFFFAOYSA-N 448.567 3.488 0 1 IGAF Cc1ccccc1-c1nc(C(=O)N[C@@H](CSCc2ccccc2)C(=O)OCCN)co1 82071567 DTXSKAOTQMOCTH-FQEVSTJZSA-N 439.537 3.184 0 1 IGAF O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)c1coc(-c2ccc3c(c2)OCO3)n1 82080864 KXPQWWHWPGBWLL-IBGZPJMESA-N 447.491 3.424 0 1 IGAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccccc2F)C1 82151739 FTKXZRUQWUWUDC-RDJZCZTQSA-N 427.524 3.481 0 1 IGAF COc1cc(-c2csc(N3CCC[C@H]3C(=O)NC[C@H]3CCCO3)n2)cc(OC)c1OC 82194200 HHYPLWPAYPDKFA-WBVHZDCISA-N 447.557 3.100 0 1 IGAF O=P(O)(O)[C@H](Cc1ccccc1)N[C@H](Cc1ccc(-c2ccccc2)cc1)c1nnn[nH]1 87676237 NAOAQOAPOBTFLY-FGZHOGPDSA-N 449.451 3.487 0 1 IGAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CCC2)Oc2ncc(C3=CCCC3)cc2C1=O 95701281 STOWNMHVDAONBA-JLHGSKIFSA-N 441.572 3.128 0 1 IGAF CO[C@H](CN(C)Cc1ccc2c(c1)OCO2)[C@@H](C)CN(C(=O)c1ccccc1)[C@@H](C)CO 95898977 RDQYWFNTQPCNSM-AXHZCLLHSA-N 442.556 3.021 0 1 IGAF C[C@H](Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)NOCC(=O)O 103198169 ZKYDFQPKGNZSQV-VIFPVBQESA-N 434.754 3.446 0 1 IGAF NCC1CCC(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(C(N)=O)cc3)c[nH]2)CC1 113720855 UXCQKLRVLBOFGG-UDJZJCJKSA-N 445.567 3.341 0 1 IGAF in-vitro NC(=O)c1nn(-c2ccc3c(c2)OCO3)c2c1CCc1ccc(NC(=O)c3ccoc3)cc1-2 150056985 QYVGHADPQMZTJU-UHFFFAOYSA-N 442.431 3.311 0 1 IGAF CO[C@]12CC[C@]3(C[C@@H]1C(C)(C)O)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@@H]2O5 169373232 OIJXLIIMXHRJJH-LFKHVAAUSA-N 425.569 3.388 0 1 IGAF Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)NCCO)cc1 205729162 WATVBUYXYHXDRZ-UHFFFAOYSA-N 433.913 3.366 0 1 IGAF CC(C)c1nn(-c2ccc(C(N)=O)nc2)c2cccc(-n3cnc(-c4cnn(C)c4)c3)c12 222994393 KYIXUTSDXUDJMD-UHFFFAOYSA-N 426.484 3.229 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)N(C(=O)c2cnccn2)C1 299881040 NGVKRWVDXLJUMD-WKOMVXTHSA-N 428.577 3.063 0 1 IGAF CN(C)S(=O)(=O)c1ccc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)cc1 586932240 XGFOBCVXQCQJQA-UHFFFAOYSA-N 445.726 3.203 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C)cc(C)c3[nH]2)C(C)C)cc1 586932439 FHRZFNBXMYYAAJ-HXUWFJFHSA-N 428.558 3.491 0 1 IGAF O=C(O)CSc1ncccc1-c1nc2c(Cl)ncc(I)c2[nH]1 586969635 YFNDPNATEXXKQD-UHFFFAOYSA-N 446.657 3.455 0 1 IGAF O=C(O)Cn1cc(I)c(-c2nc3c(C(F)(F)F)cccc3[nH]2)n1 587185811 OGIVVAJPGMXOOI-UHFFFAOYSA-N 436.131 3.134 0 1 IGAF COc1cccc(N2C[C@H](C(=O)c3c(CO)oc4cc(Br)cnc34)CC2=O)c1 587275607 FDANOPGJSXRWFY-LLVKDONJSA-N 445.269 3.327 0 1 IGAF CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587745620 GELIEYFHUSSAIF-BYYRLHKVSA-N 441.341 3.317 0 1 IGAF CCOC(=O)C1=CN(C2CC2)C(=O)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587774897 QGDZXSSOLOPQLU-GIPWTMENSA-N 437.309 3.159 0 1 IGAF COC(=O)C(=Cc1ccc(O)c(OC)c1)C(=Cc1ccc(OC)c(OC)c1)C(=O)OC 2356415026 XVIUKPWCFVZFME-UHFFFAOYSA-N 428.437 3.231 0 1 IGAF O=C(Nc1ccsc1)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Nc1nccc(-c2cccs2)n1 2356815117 COXPQKUYBDXOFQ-MUIFIZLQSA-N 430.511 3.462 0 1 IGAF O=C([C@H]1CCCN(c2nc3ccccc3n3cccc23)C1)N1CCN(c2ccccn2)CC1 20489967 BLOUMOJWSIWBTR-FQEVSTJZSA-N 440.551 3.448 0 1 IGAF COc1ccccc1N1CCN(CCCN2C(=O)N[C@@](c3ccccc3)(C3CC3)C2=O)CC1 49088085 RDTLVFVORPQDDQ-SANMLTNESA-N 448.567 3.065 0 1 IGAF COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82081044 OMPPXHCMZJYMPS-GOSISDBHSA-N 426.494 3.341 0 1 IGAF O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@@H](O)CN1c1nc(-c2ccc(Cl)c(Cl)c2)cs1 82194343 HXSZEQWUYRDMPZ-IGCXYCKISA-N 442.368 3.352 0 1 IGAF O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCCC1 95796394 BSIGSQJJGCVKJX-DHIUTWEWSA-N 426.582 3.080 0 1 IGAF O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 95871458 MBZDDLDSEITRDD-JBRSBNLGSA-N 448.469 3.443 0 1 IGAF CO[C@H](CN(C)Cc1ccc2c(c1)OCO2)[C@H](C)CN(C(=O)c1ccccc1)[C@H](C)CO 95898982 RDQYWFNTQPCNSM-KHCICDEESA-N 442.556 3.021 0 1 IGAF C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3)C(=O)[C@H]12 100698283 RSSGZZGOMCPFEH-JJEOQYAHSA-N 447.510 3.490 0 1 IGAF 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3.216 0 1 IGAF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc([N+](=O)NO)cc2)cc1 377816802 AUYCYPNSIOZIJP-UHFFFAOYSA-N 427.384 3.266 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)[C@@H](C)OCCOC)c(=O)c3ccccc23)c(O)c1 587667837 UXHQYXRKRUAAAR-MRXNPFEDSA-N 439.512 3.307 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)N(CCC(=O)O)c1ccccc12 587770787 QUCNRDJQBNVEMR-PRWKNARSSA-N 433.277 3.187 0 1 IGAF CN1CCN(Cc2cccc(NC(=O)Nc3cccc4c3[C@H]3CCCCN3C4=O)n2)CC1 653739267 NSLLDWCUSCDHJX-HXUWFJFHSA-N 434.544 3.154 0 1 IGAF CCOC(=O)[C@@H]1CCc2ccoc2[C@]12N[C@@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962711311 SLSPPUSSZXPNJB-OWZDWXTDSA-N 441.377 3.406 0 1 IGAF CC1(C)Oc2cc(O)ccc2[C@@H]2C1=CCn1c(=O)n(-c3ccc(C(F)(F)F)cc3)c(=O)n12 1772644442 RSYBGJNKAQIHHQ-GOSISDBHSA-N 445.397 3.226 0 1 IGAF CC1=C[C@H](CNCCN2CCOCC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 2356440884 USUALXWVQITFMM-YTFSRNRJSA-N 439.604 3.451 0 1 IGAF C[C@]1(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)Cc1ccccc1Cl 61926554 XBZFQNVZQNGPGW-LJQANCHMSA-N 441.336 3.032 0 3 IGAF 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JUASIPKTLKPTRB-UHFFFAOYSA-N 443.912 3.266 0 1 IGAF COc1ccc(NS(=O)(=O)c2ccc3nc(C(C)(C)SCC(=O)O)[nH]c3c2)cc1 586960701 ZADIDCQFLFCOJR-UHFFFAOYSA-N 435.527 3.425 0 1 IGAF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3c(O)nc(O)nc3[nH]2)c1C 587166332 XRLRZXBYGFFYTD-UHFFFAOYSA-N 425.420 3.100 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)C(O)O 587548450 URFNYEOQPGFTEL-UWJYYQICSA-N 443.249 3.323 0 1 IGAF CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587574102 ARKJIAYIQSGZHG-JUCRVNNTSA-N 448.475 3.417 0 1 IGAF O=C(O)CCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587585098 CJBSHQUBVVWZKN-BWKNWUBXSA-N 445.427 3.461 0 1 IGAF CC1=C[C@]2(CC(=O)N1CCCC(=O)O)N[C@@H](C)Cc1ccc(F)c(Br)c12 587757652 HGDRNGCJBCHULE-JEOXALJRSA-N 425.298 3.319 0 1 IGAF O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)n1nc2cc1Oc1ccc(F)cc1-2 587874790 CDRKWKSYSAWZTH-UHFFFAOYSA-N 428.383 3.031 0 1 IGAF CCOC(=O)[C@H]1CCc2c(sc3ncn(CCc4cc(OC)ccc4OC)c(=O)c23)C1 1857597539 YESOMKWNPIOVSW-HNNXBMFYSA-N 442.537 3.386 0 1 IGAF CCC[C@@H]1C[C@@H]2C[C@H](OC(C)=O)[C@](C)(OC(=O)c3c(C)cc(OC)cc3O)C(=O)[C@H]2CO1 2356284335 XLXJNDZXUDOXCE-DSWQWWSZSA-N 448.512 3.351 0 1 IGAF CC1=C[C@H](CN2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 2356640307 WVKUKLQBSBBKHV-ZRBLBEILSA-N 439.604 3.139 0 1 IGAF CCO[C@@H]1OC[C@@]2(C(=O)OC)CCC[C@@]13[C@@H]1C[C@]4(OC)OC(=O)C=C4[C@H](C)[C@@H]1CC[C@H]32 2356687852 DCJZJZPAWZBROQ-QGIVVJFFSA-N 434.529 3.217 0 1 IGAF O=C(Nc1ccn(CCCN2CCN(c3ccccc3)CC2)c(=O)n1)OCc1ccccc1 61922398 UWZQBAJOGQTUKT-UHFFFAOYSA-N 447.539 3.204 0 3 IGAF Cc1ccccc1S(=O)(=O)NC(=O)[C@@]1(C)CCN1C(=O)Cc1ccc(C(C)(C)C)cc1 61929534 LNJDIUCFAAEHMF-XMMPIXPASA-N 442.581 3.331 0 3 IGAF O=C(NC[C@@H]1CCCO1)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1 9251629 LWBDABODBZSEBR-QHCPKHFHSA-N 433.556 3.170 0 1 IGAF CCOCc1c(O)c2c(c3c1OC(=O)c1c(C)cc(O)c(C=O)c1O3)[C@@H](OCC)OC2=O 14689480 SEQNKMKPZZTUJB-QFIPXVFZSA-N 444.392 3.286 0 1 IGAF biogenic O=C(S[C@@H](CC(=O)N1CCC[C@@H]1C(=O)O)C(=O)c1ccc(F)cc1)c1ccccc1 27309698 NXIPMBCZAZWEQB-MSOLQXFVSA-N 429.469 3.416 0 1 IGAF COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3C[C@H]1OC[C@@H](NC(=O)Cc2ccccc2)[C@@H](C)O1 64516242 MCYCDVHGFYVOPY-LZUSQQTESA-N 449.551 3.242 0 1 IGAF O=c1c(NCc2ccoc2)c2n(c(=O)n1Cc1ccsc1)C[C@H](Cc1ccccc1)N2 82204958 XICQGDNDNBKZDZ-IBGZPJMESA-N 434.521 3.362 0 1 IGAF CC(=O)Nc1ccc(CNc2c3n(c(=O)n(CC4CCCCC4)c2=O)[C@H](C)CN3)cc1 82211048 JGGCHALWEOVFKZ-OAHLLOKOSA-N 425.533 3.147 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCc2cccc(OC)c2)C[C@@H]1C(=O)NCCCOCCCC 82214256 RRUJHHAORJNODC-JFAQRUKFSA-N 446.588 3.471 0 1 IGAF O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO 95664880 XFHPTNMTQHMBQH-GIFXNVAJSA-N 430.479 3.304 0 1 IGAF CN(C)CC(=O)N1CCCCN2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO 100132522 ZAHXKZOKOUSJMC-HOCVFBEKSA-N 433.596 3.170 0 1 IGAF Cc1nnc2nc(SCC(=O)N3CCCC3)n(-c3ccc(Br)cc3)c(N)c1-2 136981505 FKRMIRMXENKECG-UHFFFAOYSA-N 447.362 3.135 0 1 IGAF CCNc1cc(-c2nccc3c(-n4cnc(-c5cnn(C)c5)c4)ccnc23)ccc1C(N)=O 145459744 DFIDSALHMVQEIZ-UHFFFAOYSA-N 438.495 3.414 0 1 IGAF O=c1n(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(O)c2n1CCCC2 169714869 VSSOJVHAELBITH-UHFFFAOYSA-N 438.494 3.313 0 1 IGAF C/C(=C\CO)CC[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O 238774151 MMJYNAIFRKURTQ-RBZSCPQNSA-N 440.621 3.162 0 1 IGAF O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 299876515 FVIUAAZRWXIEGY-BJLQDIEVSA-N 429.879 3.356 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(S(=O)(=O)N3CCOCC3)c1)CC2=O 587490516 HJCPZWVKIKXJES-HSZRJFAPSA-N 445.537 3.246 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CC(=O)c2ccnn2C)(c2ccnn2C)N1 587756420 DMJRYWVKEZXDOQ-YUNKPMOVSA-N 446.324 3.106 0 1 IGAF COc1ccc(OC)c2c1N(C)C=C(C(=O)O)[C@@]21NCCc2cc3cccc(OC)c3nc21 963029581 DLSBWVQHYQJTLX-RUZDIDTESA-N 447.491 3.068 0 1 IGAF CC(C)S(=O)(=O)c1ccccc1N=c1[nH]c(Nc2ccc(C(N)=O)cc2)ncc1Cl 1857557218 WPQDSVFBNKWEFE-UHFFFAOYSA-N 445.932 3.320 0 1 IGAF C[C@]12C[C@@]34C=C[C@@H](O)[C@@](C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)[C@@H]3[C@H](C[C@@H]1C4)O2 1857764224 QONRWVIUXAPTFE-QGXHKCCTSA-N 443.496 3.026 0 1 IGAF CS(=O)(=O)c1ncn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3ccccc3)c12 1911577878 GKRHWNQUCGKEIK-UHFFFAOYSA-N 438.484 3.486 0 1 IGAF Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]3CCN2C[C@H]3CN2CCc3ccccc3C2)cc1 2356574452 AGQMLUMCJDMVNW-JRFVFWCSSA-N 439.625 3.042 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@H]2CC=C(C)[C@@H]2[C@@H]2OC(=O)[C@](C)(OC(=O)C(C)=CC)[C@@H]21 2356579556 BCRODGCGQKENCQ-QDBFSVGBSA-N 446.540 3.411 0 1 IGAF C[C@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)Cc1ccc(Cl)cc1Cl 61928551 GXXFVKDIVVCODV-QGZVFWFLSA-N 447.365 3.094 0 3 IGAF CN1C(=O)c2ccccc2[C@@H](C(=O)N2CCC3(CC2)OCCO3)[C@@H]1c1c[nH]c2ccccc12 2469344 GOPOVPCKNOGBOG-PKTZIBPZSA-N 445.519 3.444 0 1 IGAF CSc1ccccc1C(=O)N1CCc2c(cnc(C)c2CNC(=O)[C@H]2CCCO2)C1 12028037 ZDTRVXKALRAVOL-HXUWFJFHSA-N 425.554 3.106 0 1 IGAF COc1ccc(-n2nc(C(=O)NCc3cccnc3)cc2C(=O)Nc2ccccc2)cc1 13491665 ILYYIJZMBPMDID-UHFFFAOYSA-N 427.464 3.458 0 1 IGAF COCCOCOCCCCCCC/C=C1\C[C@](CO)(COC(=O)C(C)(C)C)OC1=O 45391720 DHHYVZCGNYNTMM-YRXHENJZSA-N 444.565 3.158 0 1 IGAF O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)N1Cc2ccncc2C1 96283103 IYTYHTGEWDKBRN-UHFFFAOYSA-N 429.448 3.418 0 1 IGAF COc1cc(-c2ncoc2-c2ccc(OC)c3c2ncn3CC(=O)O)cc(OC)c1OC 96931665 JGKBPKSNTTXBPL-UHFFFAOYSA-N 439.424 3.477 0 1 IGAF O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2C[C@@H]3C[C@@H]2CO3)c1 101376689 RGLFFOVIUUFFFB-VWNXMTODSA-N 442.519 3.239 0 1 IGAF COc1cc2c(cc1OC)[C@H](C)N(C(=O)Cn1ncc3c4ccccc4nc-3c1O)CC2 103536314 AYKUKNURQVSWQP-AWEZNQCLSA-N 432.480 3.405 0 1 IGAF CCCSc1ccc2c(c1)[C@]1(N=C(N)N(CCOC)C1=O)C1(CCC(OC)CC1)C2 142831954 YAMDBYLOOGOYGR-JTPBLVHTSA-N 431.602 3.319 0 1 IGAF O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(-c3ccc4[nH]ccc4c3)ccc1-2 142979621 NFUONRNKWZXWKG-FQEVSTJZSA-N 429.476 3.409 0 1 IGAF CCCSc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1 200515813 WSXYIBMUMGPQNK-UHFFFAOYSA-N 446.960 3.345 0 1 IGAF CC(C)n1cc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4s3)nc2)cn1 223400705 KUXPZTAQCRKPDT-UHFFFAOYSA-N 441.538 3.232 0 1 IGAF CS(=O)(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F 299866822 PMGPBZHUTBKGCZ-VOGSPBGVSA-N 433.484 3.312 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc(C)c(Cl)n3)CC[C@H]2C)c1 473113678 JXQMTBAAHHLHPJ-MRXNPFEDSA-N 425.924 3.069 0 1 IGAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(N)c(N)cc4F)[nH]c3c2)cc1 587136290 CZMLWJMDXXYHTL-UHFFFAOYSA-N 427.461 3.343 0 1 IGAF O=c1ccc2ccc(OCCn3cc(COc4ccc5ccc(=O)oc5c4)nn3)cc2o1 1857582695 GMLFWACNCYCSQB-UHFFFAOYSA-N 431.404 3.149 0 1 IGAF CC(C)OC(=O)[C@H](Cn1ccnc1)NC(=O)c1cc(-c2ccc(Br)cc2)on1 1857752599 PDVBGAXPGZAGBX-INIZCTEOSA-N 447.289 3.051 0 1 IGAF CC(=O)CC1=C(C)C=C2C[C@H](C)C(=O)[C@H](C)[C@@H]2[C@@H]1C=C(C)[C@@H](O)[C@@](C)(O)C=CC(=O)O 2356311107 LJTFNMFFSYRMHK-HBTXYDBJSA-N 430.541 3.398 0 1 IGAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)C[C@H](CO)CNC)[C@@H](O)C1 2356425806 SOCUTXCGCKGNTM-DTILQVPTSA-N 427.626 3.350 0 1 IGAF COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)c(CO)c2)cc1 13588997 GVPMWHQIUGWDCS-UHFFFAOYSA-N 426.416 3.463 0 1 IGAF COc1cc([C@@H](O)[C@H](C)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc(OC)c1OC 26263404 YFUCUIJREZMSCX-NYHFZMIOSA-N 441.528 3.114 0 1 IGAF N=C(N)c1cccc(NC(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c1 28111012 DSWZRMGWEQVGTR-UHFFFAOYSA-N 449.536 3.362 0 1 IGAF Cc1ccc(C(=O)CN2C(=O)c3ccc(N4C(=O)[C@@H]5CC=CC[C@H]5C4=O)cc3C2=O)cc1C 28523090 GAVFHRLMPJGRJT-RTBURBONSA-N 442.471 3.238 0 1 IGAF CNC[C@@H](O)Cn1c2ccc(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O 40392921 AKRLJMPQUMPSSS-CYBMUJFWSA-N 449.894 3.284 0 1 IGAF COc1ccc(-n2nc3c(NC(=O)NCc4ccccc4)nc4ccccc4n3c2=O)cc1 40938081 BZBPDOMOOAFDFM-UHFFFAOYSA-N 440.463 3.364 0 1 IGAF O=C1CC[C@@H](c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)N1C(=O)c1ccc(F)nc1 58468651 NDHRVVQUROWSOW-INIZCTEOSA-N 446.446 3.111 0 1 IGAF O=C(c1ccc(F)cc1)N1CCO[C@H]2C[C@@H](O)[C@H](N3CCC(c4ccccc4)CC3)C[C@H]21 73312863 PILVQYHTDSKTBX-VPBXCIAMSA-N 438.543 3.438 0 1 IGAF COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C[C@@H]3CO[C@@H](O)[C@@H]32)cc(OC)c1OC 85692437 WLWUJRTXQAHVQY-DUXMTJQVSA-N 446.496 3.007 0 1 IGAF biogenic O=C(Nc1ccccc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO 95866715 VXOIHSRQZAPVKT-NQSCKRDGSA-N 439.491 3.205 0 1 IGAF O=C(c1cccnc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO 95871389 OHGDZNWQBVURKC-BOTREZDGSA-N 439.515 3.063 0 1 IGAF NC(=O)c1cccc(CN2C(=O)N[C@H](CCc3ccccc3)[C@H](O)[C@@H]2Cc2ccccc2)c1 98085475 LEKZXRMIXMQSLA-DSITVLBTSA-N 443.547 3.284 0 1 IGAF NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5 101284979 YPCHFWUHJRFFHL-OAHAWELDSA-N 443.547 3.031 0 1 IGAF Cc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3CCN3CCOCC3)nc2n1 117858861 CTLWTUUJCCKOQB-UHFFFAOYSA-N 436.585 3.389 0 1 IGAF CC[C@H](C)NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(Br)cc1 137237533 BMRNUJGRKUTQFW-JTQLQIEISA-N 449.378 3.427 0 1 IGAF CC1(COc2ccc(-n3nc(C4CC4)c4cc(C(=O)NS(C)(=O)=O)ccc43)cn2)CC1 143682920 IUSOFNYROHPWOV-UHFFFAOYSA-N 440.525 3.166 0 1 IGAF CC1(COc2ccc3c(c2)[C@]2(COC(N)=N2)c2cc(-c4cncnc4)ccc2O3)COC1 223877381 ANMFEOXBXPWDED-DEOSSOPVSA-N 430.464 3.253 0 1 IGAF COc1cc(Nc2nc3n(n2)[C@@H](C2CC2)CCN3CC(C)(C)O)ccc1-n1cnc(C)c1 299835454 WDXKBGZDWVEVOL-GOSISDBHSA-N 437.548 3.457 0 1 IGAF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](N)Cc4cscn4)[nH]c3c2)cc1 587029206 KZFYSAYQNVTXBP-MRXNPFEDSA-N 429.527 3.071 0 1 IGAF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)c1 587048268 HOKXHDQTFZLLRR-SREVYHEPSA-N 434.287 3.414 0 1 IGAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3nnn(C)c3C(F)F)[nH]c2c1 587128484 MTDQTIVSACCWIF-UHFFFAOYSA-N 434.428 3.105 0 1 IGAF Cn1nc(C(=O)O)c(I)c1-c1nc2cc(C(F)(F)F)ccc2[nH]1 587180128 NCMQOAGNNHFQHE-UHFFFAOYSA-N 436.131 3.285 0 1 IGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cccc(I)c2[nH]1 587231792 QWGORVKFXCUILK-RYUDHWBXSA-N 427.286 3.204 0 1 IGAF CCOC(=O)[C@@H]1Cc2c(nc(C)n2C)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587574099 ARKJIAYIQSGZHG-IPLFZHMSSA-N 448.475 3.417 0 1 IGAF Cc1ccc(S(=O)(=O)N2CC3(C2)N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 587843331 YROFUHNJWXWLCV-ZDUSSCGKSA-N 439.350 3.331 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(Br)cnn1C 587867464 ZZNIJOAAYSYJLZ-UHFFFAOYSA-N 430.184 3.157 0 1 IGAF CC(=O)c1ccc2c(c1)[C@H](c1ccccc1C(N)=O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962626713 NWTFZIBWHQZFEX-PMACEKPBSA-N 438.480 3.324 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@@H]([C@@H](c3ccccc3)c3ccc(F)cc3)N2C(=O)[C@@H]2CCCN12 963214539 KCEJYTUBMJCYFN-VVSUKSJXSA-N 430.483 3.180 0 1 IGAF CC(=O)N1CCC[C@@H](CNc2cc(F)c(S(=O)(=O)Nc3nccs3)cc2Cl)C1 1772647393 FDLMAPIOZIFPBT-LBPRGKRZSA-N 446.957 3.407 0 1 IGAF CC(=O)N1N=C(c2cccc(OS(N)(=O)=O)c2)C[C@H]1c1cc(Cl)ccc1Cl 1857547300 TVNWEVJCEVEOML-KRWDZBQOSA-N 428.297 3.273 0 1 IGAF COc1ccc2cc([C@@H](C)C(=O)NCCCOc3ccc(S(N)(=O)=O)cc3)ccc2c1 1857647877 IHKYZJVXRBQNME-MRXNPFEDSA-N 442.537 3.185 0 1 IGAF CN1C[C@@H](NS(=O)(=O)c2cccc(F)c2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 20464177 IUTLBVHVTXGLGW-RDJZCZTQSA-N 436.896 3.253 0 1 IGAF biogenic CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)CO 26736124 SWDBTDNRUQLZFB-JZWVFAODSA-N 440.540 3.007 0 1 IGAF CCOC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@H]3CC[C@]21C 28522907 RFBGZVOYPOBALZ-JJKFDYOMSA-N 446.496 3.390 0 1 IGAF C[C@H](C(=O)NCCC(F)(F)F)C(=O)N[C@H]1C(=O)N(C)c2ccccc2-c2ccccc21 28824917 RNMFABUEABNDQC-FZKQIMNGSA-N 433.430 3.192 0 1 IGAF CC(C)N(O)C(=O)NCc1ncc(-c2cc(Cl)cc(F)c2-c2nnn(C)n2)cc1F 45364377 QDKYDKRLCGLXOB-UHFFFAOYSA-N 437.838 3.180 0 1 IGAF COC(=O)/C=C\C/C=C\C[C@@H]1[C@@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 84759254 FNAMRDZHKYQEBA-HGSOZFSJSA-N 436.932 3.059 0 1 IGAF in-man CS(=O)(=O)Nc1ccc2c(C(=O)C(=O)N3CCC(Cc4ccccc4)CC3)c[nH]c2c1 95572204 MMGIITPBYLMETN-UHFFFAOYSA-N 439.537 3.203 0 1 IGAF O=C(NC1CCC2(CC1)NC(=O)N(CCOc1ccc(F)cc1)C2=O)Oc1ccccc1 103187725 MYGACVAYAUAPLG-UHFFFAOYSA-N 441.459 3.226 0 1 IGAF NC(CO)(CO)CN1CCc2cc(OCc3cc4c(Cl)cc(Cl)cc4o3)ccc21 114101885 FBQHSFTYWKCWBQ-UHFFFAOYSA-N 437.323 3.363 0 1 IGAF COC(=O)c1cc(Br)cnc1N1CCC(N[C@H]2CCCC[C@H]2OC)CC1 169341939 FPOWWSVUDYAZPF-DLBZAZTESA-N 426.355 3.147 0 1 IGAF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(Br)ncc2[nH]1 586937558 QGEDAJYQIBVIII-LBPRGKRZSA-N 441.376 3.493 0 1 IGAF O=C1COc2cc(Br)ccc2N1CCc1nc2c(F)cnc(Cl)c2[nH]1 586999472 BUAZRHNPPJDJSZ-UHFFFAOYSA-N 425.645 3.481 0 1 IGAF O=C(NCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1)c1cscn1 587027339 BFIXIENWGJFCTC-UHFFFAOYSA-N 447.929 3.404 0 1 IGAF CCO[C@@H]1C[C@@]2(CC(=O)c3cc(C)cc(N)c3O2)[C@]12CCCN(C(=O)C(F)(F)F)C2 587381782 LPEBKWFDLXLREL-UXPWSPDFSA-N 426.435 3.261 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@]1(CCC(F)(F)F)CC(=O)c2cc(C)cc(N)c2O1 587381982 LUMKQDQRGBQACC-IBGZPJMESA-N 431.407 3.366 0 1 IGAF CCOC(=O)[C@H]1CN(Cc2ccccc2)C(=O)[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587518022 YUAVJYLMEZWBEG-RLWLMLJZSA-N 433.504 3.491 0 1 IGAF Cc1nn(C)cc1[C@]1(CCN2CCOCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583658 WJETYHGRVLJZQL-DHLKQENFSA-N 449.507 3.014 0 1 IGAF O=C(c1nnn(Cc2ccccc2)c1-c1cccnc1)n1ncc2ccc(Cl)cc2c1=O 587653224 SHXWCWIXNXUJFS-UHFFFAOYSA-N 442.866 3.440 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc3c(cc12)OCCCO3 587791450 JRQSCAATWQNYAL-WVDJIFEKSA-N 433.277 3.479 0 1 IGAF CC1(C)CN[C@](CN)(c2ccc(I)cc2)c2c1ccc1c2OCO1 963390677 MXDRHXLYHLKRTC-LJQANCHMSA-N 436.293 3.103 0 1 IGAF O=C1c2cc(-c3ccnc(N[C@H]4CCNC4)n3)ccc2CN1[C@H](CO)c1cccc(Cl)c1 1857547754 CYTCBCMFQBXTHI-SIKLNZKXSA-N 449.942 3.260 0 1 IGAF CC1=C[C@H](CNC(=O)CC(C)(C)C)[C@H](C(C)C)C[C@H]1CC(=O)NCCN1CCOCC1 2356673032 FUEVHGALABADQL-BDTNDASRSA-N 435.653 3.232 0 1 IGAF CN1CCN(C(=O)C2=C[C@@H](C3CCCCC3)C[C@@H](OCc3ccc(CO)cc3)O2)CC1 13656940 ZSMKKCQOPNRRTC-VWNXMTODSA-N 428.573 3.296 0 3 IGAF CCCNC(=O)c1cc([C@H]2CCCCN2S(=O)(=O)c2cccc3cccnc23)on1 61895713 NSMBPLIKLKBHKF-QGZVFWFLSA-N 428.514 3.279 0 3 IGAF Cc1ccc([C@H]2[C@H](C(=O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN2CCOCC2)cc1 1836602 SQUNAVUFMAQNAX-PKTZIBPZSA-N 446.503 3.025 0 1 IGAF CCCCO[C@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)c2cccnc2SC)C1 4209513 LDHZSIWNGSRLGM-FXAWDEMLSA-N 442.585 3.102 0 1 IGAF COc1ccc([C@]23OC[C@H](Cc4cc(OC)c(OC)cc42)[C@@H]3COC(C)=O)cc1OC 6003319 GVZPMSFHNAIPPW-UXSWERMXSA-N 428.481 3.346 0 1 IGAF Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cccc(C(C)(C)C)c4O3)O2)c(=O)[nH]c1=O 13561152 UFZMRGCCVPDARB-RLTKGDLXSA-N 448.412 3.330 0 1 IGAF CC(=O)c1ccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN(C)CCc2ccccn2)cc1 43526936 XYLBMNUXXDKYLO-OTNCWRBYSA-N 449.599 3.291 0 1 IGAF biogenic COc1ccccc1CCNc1nc(NCCCCO)nc2cc(OC)c(OC)cc12 82128101 DLLJAIBYXQXPET-UHFFFAOYSA-N 426.517 3.495 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)N(C)C[C@H]1C 95688534 BBNOXYVHIXNILT-IEGUWTFLSA-N 439.556 3.375 0 1 IGAF Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@H](Nc2cc(=O)n(C)c4ccc(F)cc24)C3)c1Cl 169351703 XQDOLCNTSUTTNJ-QDMKHBRRSA-N 443.910 3.312 0 1 IGAF CCCCOc1ccccc1N1CCN(CCCCn2c(O)c3n(c2=O)CCCC3)CC1 169716657 MAQLAIUTBUDHHC-UHFFFAOYSA-N 442.604 3.473 0 1 IGAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Cl)cc(Cl)c3[nH]2)[C@@H](C)O)cc1 586939306 UELMUWIZRSQNOQ-RFAUZJTJSA-N 430.313 3.279 0 1 IGAF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587111773 AZQQPRFZWGIIRE-QGZVFWFLSA-N 427.404 3.228 0 1 IGAF COc1cc2c3c(c1)O[C@@]1(C[C@H](NC(=O)C(F)(F)F)c4cc5c(cc41)OCO5)[C@@H](C2)C3=O 587423807 ZMMGJIDCAMBIOQ-DGCWBMGLSA-N 447.365 3.190 0 1 IGAF CC(C)(C)OC(=O)N1C[C@@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587590151 YASINWQXECLGAP-XBCBRRGRSA-N 441.436 3.187 0 1 IGAF COc1ccc(CNC(=O)CCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 653736087 LQYKWDLNENUREX-UHFFFAOYSA-N 443.503 3.197 0 1 IGAF CCCCCCO[P@](=O)(O)[C@H]1C[C@@H](NC(=N)N)[C@H]([C@@H](NC(C)=O)C(CC)CC)C1 653866637 QQOCYKVVEANKGY-MKXGPGLRSA-N 432.546 3.340 0 1 IGAF CC(C)=C[C@@H]1O[C@](C)(CC=C2OC(=O)C=C2C)[C@@H]2C(=O)[C@]3(O)[C@H](C)CC[C@@H]3[C@H](C)[C@]12O 2356413875 BJVHHRYNUDCZAB-PCXKIDKCSA-N 430.541 3.231 0 1 IGAF COc1cc(-c2c3c(c(OC)c4c2OCO4)C[C@H]2COC(=O)[C@@H]2C3)cc(OC)c1OC 2356529184 XOCRMEJCKVXIRT-QWHCGFSZSA-N 428.437 3.005 0 1 IGAF CC1=C[C@H](CNC(=O)C2CC2)[C@@H](C(C)C)C[C@@H]1CC(=O)N1CCN(C2=CC=C[CH]N2)CC1 2356856378 UAOBXSFHULKXDB-DNVJHFABSA-N 439.624 3.064 0 1 IGAF O=C(CC[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1)N1CCN(c2ccccn2)CC1 11844537 BCGWLEQFUPQWAP-JOCHJYFZSA-N 446.595 3.481 0 3 IGAF CN1C(=O)c2ccccc2[C@H](C(=O)N2CCC3(CC2)OCCO3)[C@@H]1c1c[nH]c2ccccc12 2469342 GOPOVPCKNOGBOG-GOTSBHOMSA-N 445.519 3.444 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2)[C@@H]1C(=O)NCCCN1CCCC1=O 4153134 OSGHCYUHCSFEDY-ISKFKSNPSA-N 435.524 3.306 0 1 IGAF COc1ccc([C@H]2[C@H]3CCc4ccc(OCCN5CCOCC5)cc4C3=NN2C(C)=O)cc1 40753775 XEVWZDRTXPRECQ-OZXSUGGESA-N 449.551 3.276 0 1 IGAF c1ccc(Cn2nnnc2[C@H](c2ccc3c(c2)CCO3)N2CCCN(C3CCC3)CC2)cc1 62225161 NGQFJHWTJYXDMP-VWLOTQADSA-N 444.583 3.306 0 1 IGAF O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@H]2C1 95874324 DFXDBLKOJGNHJX-SMIHKQSGSA-N 435.572 3.020 0 1 IGAF COC(=O)c1c(CNC(=O)c2cccnc2)c(=O)c2ccc(OC)cc2n1-c1ccccc1 96170257 QZAPVCQJMBTNGH-UHFFFAOYSA-N 443.459 3.111 0 1 IGAF O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCc1cncs1 96284446 FJSJFYVNNFBLQG-FQEVSTJZSA-N 431.521 3.233 0 1 IGAF CCOC(=O)N1C=N[C@]23[C@@H](c4ccccc4)[C@@H](c4ccccc4)[C@@]12C(=O)N(C)C(=O)N3C 102977446 XKDZKJAXJPSBMV-GABIRTJKSA-N 432.480 3.027 0 1 IGAF COc1cc(C(=O)[C@@H](C)Oc2c(OC)cc(/C=C/CO)cc2OC)cc(OC)c1OC 103231814 SECJGGUDGJJKDQ-HSBSLETESA-N 432.469 3.385 0 1 IGAF COc1cc(Cc2nnc(Nc3ccccc3)s2)c(S(=O)(=O)N(C)C)cc1OC 103271914 MXCWDVRVQQGSIU-UHFFFAOYSA-N 434.543 3.140 0 1 IGAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1OCCCN1CCN(c2cccc3ccccc23)CC1 195428258 RUFAUUMYKFPZQN-CHOVIJNXSA-N 431.536 3.091 0 1 IGAF COC(=O)[C@H](NC(=O)N1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3)C(C)C 214567077 RWMMCDPDRMGRQF-KSFYIVLOSA-N 437.540 3.475 0 1 IGAF CC(C)Oc1cc2c(-c3cc(N4CCN(c5cnn(C)c5)CC4)ncn3)n[nH]c2cc1F 225542052 JCMXFBTYHSGSHP-UHFFFAOYSA-N 436.495 3.006 0 1 IGAF COc1ccc(C)c2[nH]c(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 261134735 LUBZFJHAWKWRTE-UHFFFAOYSA-N 449.555 3.397 0 1 IGAF O=C(c1ccccc1)c1ccc2c(c1)nc1s/c(=C\c3ccc4c(c3)OCO4)c(=O)n12 473081268 BKAFOEDYJNNILZ-NHDPSOOVSA-N 426.453 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3.093 0 1 IGAF biogenic COc1ccc(Cc2cc(C3CCN(C(=O)c4cccc5c4OCO5)CC3)nc(N)n2)cc1 40873276 WCWYKPOKKGUICI-UHFFFAOYSA-N 446.507 3.407 0 1 IGAF CCCN(CCC)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 49087727 QWWUUAQYOYSDLW-IBGZPJMESA-N 430.520 3.187 0 1 IGAF Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CO)Nc4ccc(Br)cc4[C@H]32)cc1 95878145 QOAMHAVTMBZIDA-IPELMVKDSA-N 437.359 3.296 0 1 IGAF COc1ccc(NC(=O)C2CCC(C/N=c3/c(N4CCC(C)CC4)c(O)c3=O)CC2)cc1 103902800 QFTUKFXSVUATEE-QLYXXIJNSA-N 439.556 3.219 0 1 IGAF CC[C@H](O[C@@H](CO)Cc1cc(OC)c(O)c(OC)c1)[C@@H](OC)c1ccc(O)c(OC)c1 169347496 RYIRLFCMHRNKFU-QSAZIKIQSA-N 436.501 3.210 0 1 IGAF COc1cc(OC)cc(N(C[C@H](F)CN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204145391 SBKRUFBQSKWUSE-MRXNPFEDSA-N 436.491 3.482 0 1 IGAF COc1ncc(NC(=O)c2ccc(Cl)cn2)cc1[C@]1(C)C[C@@H](C(F)(F)F)OC(N)=N1 218670464 GHQNDDOLLUWAEX-GUYCJALGSA-N 443.813 3.272 0 1 IGAF COC[C@H]1CN(c2ncc(C(=O)O)s2)CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl 224114534 LEIHITSDQIFMCS-NXEZZACHSA-N 447.344 3.056 0 1 IGAF CN(C)C(=O)c1cccc(-c2cc(N3C[C@H](N)[C@H](c4cc(F)c(F)cc4F)C3)ncn2)c1 253659991 LUCRWOVIRFVMSM-JXFKEZNVSA-N 441.457 3.194 0 1 IGAF CCS(=O)(=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1 586954545 CPAQFIVERZIHBO-UHFFFAOYSA-N 439.946 3.071 0 1 IGAF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587141305 OREZEGTUWDOBFF-LLVKDONJSA-N 447.323 3.229 0 1 IGAF Cc1c(Br)cc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2c1C 587227800 YFMUADSXISQCGX-UHFFFAOYSA-N 445.317 3.485 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3C[C@@H](C)O[C@H](C)C3)nc3c(C)cccn3c1=O)O2 587395402 QRMIMVDBWXWYNA-JXXFODFXSA-N 448.523 3.214 0 1 IGAF COc1cc2c3c(c1)O[C@@](CCC(=O)O)(c1cc(OC)c(OC)cc1OC)[C@@H](C2)C3=O 587441667 GRGJPGKGFRZAMJ-WNSKOXEYSA-N 428.437 3.229 0 1 IGAF COc1cc2c3c(c1)O[C@@](CSc1nnnn1-c1ccccc1)(c1ccc[nH]1)[C@@H](C2)C3=O 587449729 CMOHOBYDYJUMLA-GAJHUEQPSA-N 445.504 3.434 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S(=O)(=O)CC(=O)O)cc1F)CC2=O 587467939 UWLQIHVKBICVQS-OAQYLSRUSA-N 436.457 3.223 0 1 IGAF C[C@H]1CCc2cc(C(=O)N(C)Cc3cnn(C)c3)ccc2N1C(=O)c1ccc(O)cc1O 653683862 ZVFIHSAIQWKOAE-HNNXBMFYSA-N 434.496 3.085 0 1 IGAF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2c(Cl)nc3ccccn3c2=O)N1 962707738 YCSBBQHKIZKGOV-IUODEOHRSA-N 441.768 3.194 0 1 IGAF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@](Cc2ccc3ccccc3n2)(C(=O)O)N1 962977433 PPFXUSTUBBSGMQ-IIBYNOLFSA-N 432.810 3.288 0 1 IGAF CS(=O)(=O)c1nc(-c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc(C(F)(F)F)n1 1772594033 CTESRUZKQXBOLC-UHFFFAOYSA-N 443.834 3.429 0 1 IGAF COCC(=O)N[C@@H]1[C@@H](c2cccs2)N(Cc2cc(-c3ccccc3)no2)CC[C@]1(C)O 2356674739 SIEWJOIJGYJZOP-ZLNRFVROSA-N 441.553 3.232 0 1 IGAF CCN(C(=O)CCS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCO2 2940460 PVTFPSAGYNQKKP-UHFFFAOYSA-N 440.315 3.395 0 3 IGAF O=C(NCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C[C@H]1CCCO1 8674203 OSIKBDFHNSRJFV-HXUWFJFHSA-N 449.507 3.190 0 3 IGAF CCCCC(=O)OCC(=O)N1N/C(=C2\C=Nc3ccccc32)[C@@H](O)[C@H]1c1ccc(OC)cc1 104000511 SKIUKZGOEWVJID-KWHMRMCXSA-N 449.507 3.305 0 3 IGAF Cc1c(C(=O)N2CCC(C)CC2)sc2ncn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c12 2926707 FFFXQAIWJSFOSA-HZPDHXFCSA-N 444.601 3.143 0 1 IGAF COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4CNC(=O)C3CC3)nc(C)n2)cc1OC 8622966 LDRFWPLPGAHEMS-SXLOBPIMSA-N 436.556 3.173 0 1 IGAF biogenic CC(=O)N[C@@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)Cc1ccccc1 14637969 UBQCFEASTTXIKB-JWQCQUIFSA-N 444.531 3.318 0 1 IGAF biogenic NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cccc(Cl)c1 40401594 NJNMHHZGWZFCAU-UHFFFAOYSA-N 438.919 3.421 0 1 IGAF O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(Cl)cc2)CC1 72176251 KUXHAMKNCQITFC-LJQANCHMSA-N 435.351 3.251 0 1 IGAF O=S(=O)(N[C@H]1CCN(CCOc2cccc3c2CCCC3)C1)c1cc(F)ccc1F 95574342 QHVDRXNWAMTCNP-SFHVURJKSA-N 436.524 3.275 0 1 IGAF Cc1cc(OCCO)ccc1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)c1 117812199 COIIKSLASRAHQH-UHFFFAOYSA-N 448.475 3.103 0 1 IGAF N[C@@H]1CCc2ccc(OCCN3CCCS3(=O)=O)cc2[C@@H]1Cc1cccc(Cl)c1 143043811 PLNRNWCBXKAVPU-FCHUYYIVSA-N 434.989 3.354 0 1 IGAF CC(C)OC(=O)Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1N 167272754 ORBXDBCNOGBGBI-UHFFFAOYSA-N 436.451 3.197 0 1 IGAF COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1 167443268 HNLYXKVDNXQGQG-UHFFFAOYSA-N 446.507 3.459 0 1 IGAF Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3nc(NC4CCOCC4)ncc3C)c[nH]2)c1 169693450 RWKMWLLBRDVPBJ-OAQYLSRUSA-N 435.528 3.143 0 1 IGAF COc1ccccc1NS(=O)(=O)c1ccc2nc(-c3nc(Cl)cnc3N)[nH]c2c1 587086432 JYVPVVZELRXRLX-UHFFFAOYSA-N 430.877 3.065 0 1 IGAF COC(=O)[C@@H]1CC2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352562 OZSFLEMWXLTNHV-ZHALLVOQSA-N 428.412 3.001 0 1 IGAF CC(C)(O)[C@@]1(c2ccc(OCCO)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594772 IXWTWFVOWPWVLW-OFVILXPXSA-N 436.460 3.391 0 1 IGAF NS(=O)(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1Cl 587609908 WKWDKJDRNAVOBV-FXAWDEMLSA-N 431.853 3.396 0 1 IGAF CN1CCN(c2cccc([C@H]3c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N34)c2)CC1 962661415 HXOJDOLMNIQYBG-OZXSUGGESA-N 430.552 3.175 0 1 IGAF COc1cc(/C=C/C(=O)N[C@H](NC(=O)Nc2ccccn2)C(C)C)cc(OC)c1OC 1772621739 SPIHDEFVXHRINO-LCCNJJIFSA-N 428.489 3.041 0 1 IGAF Cc1cc(Cl)c2cc(C(=O)N[C@H](C)c3ccc(S(=O)(=O)CC(=O)O)cc3)n(C)c2c1 1857566406 MXRWTVZOWMKPDE-CYBMUJFWSA-N 448.928 3.489 0 1 IGAF COc1ccc(-c2ccc3[nH]cc(-c4n[nH]c(=N)o4)c(=NCCCn4ccnc4)c3c2)cc1 1857596590 IMTMHWAXSZULPV-UHFFFAOYSA-N 441.495 3.494 0 1 IGAF C[C@]1(O)CCC[C@@H]2c3c(cc4oc(CO)c(CCCO)c(=O)c4c3OC3CCCC3)O[C@H]21 2356391428 WGEFIJKSAZPEFZ-YBEMNCNDSA-N 444.524 3.311 0 1 IGAF O=C(CN(CCc1ccccc1)Cc1ccccc1)Oc1ccccc1P(=O)(O)O 15895121 WVIXVQNFKPXCNI-UHFFFAOYSA-N 425.421 3.140 0 3 IGAF C[C@@]1(C(=O)NS(=O)(=O)Cc2cccc(Cl)c2)CCN1C(=O)C/C=C/c1ccccc1 61896750 FPFPKURRTFWSGG-OUZREKFBSA-N 446.956 3.381 0 3 IGAF COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@]1(C)CC[C@H]1C(=O)O[C@@H](c3ccoc3)C[C@]21C 263591033 OBSYBRPAKCASQB-WYYOYQOCSA-N 432.469 3.000 0 3 IGAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCCN2CCCC2=O)cc1 4049810 VYHWBENKUHVAAZ-LADGPHEKSA-N 435.524 3.306 0 1 IGAF O=C(Nc1nc2c(s1)C(=O)C[C@@H](C(=O)N1CCc3ccccc3C1)C2)c1cccnc1 14880384 KBVZAYLLDONGTB-KRWDZBQOSA-N 432.505 3.120 0 1 IGAF Cc1ccc(S(=O)(=O)n2c(-c3ccc(S(=O)(=O)O)cc3)nc3ccccc32)cc1 66259514 CWRVWOKPPBYYSG-UHFFFAOYSA-N 428.491 3.495 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)NCCc2cc(OC)ccc2OC)N(C(=O)c2ccco2)C1 82199412 PSMFLIKABBLIGO-UXHICEINSA-N 444.528 3.056 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCCC1)CC31CCN(C)CC1 95666638 PNZZSWKYSPMYMQ-NRFANRHFSA-N 425.573 3.216 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCCC3)ccc2OC[C@@H](C)N(C)C[C@@H]1C 95679221 FKUUEJXYVSQQBY-JKSBSHDWSA-N 431.577 3.251 0 1 IGAF CCC(=O)N(C)C[C@@H]1Oc2ncc(-c3ccccc3C)cc2C(=O)N([C@H](C)CO)C[C@H]1C 95703494 GYCTWAQMECXVCN-HMFYCAOWSA-N 439.556 3.146 0 1 IGAF O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@@H](CO)O1)NC1CCCCC1 95899365 CUTMPUHEHQEQIE-AYEZKCMBSA-N 442.556 3.259 0 1 IGAF O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@H](CCNC(=O)C2CCCCC2)O[C@@H]1CO 95905295 OMZADXYEQUCDQV-HSALFYBXSA-N 437.968 3.457 0 1 IGAF Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21 102233564 BYOQIDVUBQOVAI-UHFFFAOYSA-N 446.429 3.164 0 1 IGAF C[C@@H]1CN(Cc2c[nH]nc2-c2ccc(C(=O)O)o2)CCN1c1ccc(C(F)(F)F)cn1 115167333 GPJPYUFOKCCDKZ-GFCCVEGCSA-N 435.406 3.492 0 1 IGAF COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2OC)CC3)n1 141187973 VYCOJFJTKNZXDV-UHFFFAOYSA-N 445.527 3.162 0 1 IGAF CCn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1N1CCC[C@@H](N)CC1 144483049 DZPWHGFOCWIUKE-CYBMUJFWSA-N 443.552 3.318 0 1 IGAF CCOC(=O)CN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C 146331009 QXJYGDGXXBXINZ-UHFFFAOYSA-N 425.476 3.130 0 1 IGAF COc1c(OCC2CC2)ncnc1N1CC[C@@H](Oc2ccc([C@H](C)NC(C)=O)cc2)C1 261100395 GEIKMOLKWDDEMQ-MGPUTAFESA-N 426.517 3.129 0 1 IGAF CC(=O)N(C)[C@@H]1CCN(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)c(C)c2)C1 261186647 XPNGRYZHYABEFS-BWAGFHJFSA-N 427.593 3.143 0 1 IGAF COC(=O)/C=C\C/C=C\C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1 261515678 FNAMRDZHKYQEBA-KKXBJMIRSA-N 436.932 3.059 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 299877527 HLHGFVHKPWBERN-OOERISHNSA-N 436.552 3.377 0 1 IGAF CN(C)C(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1 587117933 HSXQNTKSLHYQIP-UHFFFAOYSA-N 430.228 3.485 0 1 IGAF COc1cc2c3c(c1)O[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)[C@@H](C2)C3=O 587431701 LSUUJKDDSITKAA-TVTNDZMWSA-N 441.528 3.237 0 1 IGAF COc1cc2c3c(c1)O[C@@]1(C(=O)c4c(O)cc(O)cc4O[C@H]1c1ccc(O)cc1)[C@@H](C2)C3=O 587455051 IEQYXHFPLNXPEF-VOFHVUKISA-N 446.411 3.315 0 1 IGAF CS(=O)(=O)C[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573054 VFTPCKRPKLULOB-SIKLNZKXSA-N 428.437 3.433 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)s1)C(O)O 587612910 LKWJBQPZDQJCQX-HNAYVOBHSA-N 449.278 3.384 0 1 IGAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(Cc4nc5ccccc5[nH]4)CC3)cc21 653700512 QCQJGVFNZAGCTA-UHFFFAOYSA-N 449.486 3.057 0 1 IGAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)N(CC)C(=O)c1cc(OC)cc(OC)c12 962944219 HHZHZNDJWZVAME-PWECECGKSA-N 433.508 3.355 0 1 IGAF CC(C)c1cc(C(=O)Nc2csc([C@@]34CO[C@@H](C)C[C@H]3CSC(=N)N4)n2)n(C)n1 1772578149 NLXQVVUOVUDGPI-SYTFOFBDSA-N 434.591 3.144 0 1 IGAF CCOc1ccc(S(=O)(=O)N(CCCN)c2cc(OC)c(Cl)cc2OC)cc1 1857583973 WCFPTMKUJIMTGG-UHFFFAOYSA-N 428.938 3.300 0 1 IGAF COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1OC 4001682 XFTSPUZQZXTBIG-UHFFFAOYSA-N 431.470 3.362 0 3 IGAF CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)NCCCN1CCOCC1 13879045 RZCWMFZEEPRASZ-KRWDZBQOSA-N 445.585 3.231 0 3 IGAF O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1c(F)cccc1Cl 4310345 NZLGYRIUPGEJHC-IEBWSBKVSA-N 441.286 3.349 0 1 IGAF C[C@@H]1N[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]12 12466099 ZKLSTLYBTHUDFT-FYSJFMMDSA-N 437.499 3.226 0 1 IGAF COc1cc(CNC(=S)NCCc2ccc(Cl)cc2)ccc1OCCNC(C)=O 13605013 DOFFHEGWFRRGDD-UHFFFAOYSA-N 435.977 3.070 0 1 IGAF NCc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CCN2CC1CC1)[C@H]3O5 26665506 YPCHFWUHJRFFHL-NVSKSXHLSA-N 443.547 3.031 0 1 IGAF CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(-c2cc(-c3cn[nH]c3)ccc2O)nc2ccccc12 66101855 PFGYFVZBXUQRIS-UYAOXDASSA-N 430.512 3.163 0 1 IGAF COc1cccc(CNC(=O)c2cn(CCN3CCCC3)c3nc(-c4cn[nH]c4)ccc23)c1 73195800 UFRZVVLEFMQDSZ-UHFFFAOYSA-N 444.539 3.461 0 1 IGAF CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)C(=O)c1coc(-c2cccs2)n1 82086698 CSCWORSFUPJCBZ-UHFFFAOYSA-N 438.553 3.256 0 1 IGAF COc1cc(-c2nc(N3CCOCC3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC 82167025 JEANLBZAZSHCNN-UHFFFAOYSA-N 426.473 3.278 0 1 IGAF CCCCNC(=O)[C@@H]1C[C@H](OCCCC)CN1C(=O)CCNC(=O)OCc1ccccc1 82199088 BALMEPLEWIOQIQ-SFTDATJTSA-N 447.576 3.005 0 1 IGAF CCc1[nH]c2nc(Sc3cnc4nccnc4c3)nc(N3CC[C@H](NC)C3)c2c1Cl 95590779 BJBKRFDVPMRYDV-NSHDSACASA-N 440.964 3.461 0 1 IGAF CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CCC)[C@@H](C)CO2 95692035 RPQYAYCERJLDHX-KGVIQGDOSA-N 448.608 3.434 0 1 IGAF Cc1nccc(NC2=NCC3=C2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)n1 96172493 WKSBHTBNTGQWCZ-HXUWFJFHSA-N 433.560 3.012 0 1 IGAF Cc1ncccc1Oc1ncnc(O[C@@H]2C[C@@H]3CC[C@H](C2)N3S(=O)(=O)C2CC2)c1C 103230640 DEGLXHGZWIXTEH-FVQHAEBGSA-N 430.530 3.147 0 1 IGAF O=C(O)c1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(S(=O)(=O)C3CCC3)c2)nc1 103241224 DTZWAELYQGJRJI-KRWDZBQOSA-N 446.529 3.063 0 1 IGAF Cc1nc(-c2ccc(-c3ccc(CC[C@](N)(CO)COP(=O)(O)O)cc3)cc2)co1 103301171 GXTUHMSJTFCTRJ-NRFANRHFSA-N 432.413 3.049 0 1 IGAF COc1cccc(-n2c(SCC(=O)NCCc3ccccc3)nc3nnc(C)c-3c2N)c1 103623508 MYNCPFGAYDAUIS-UHFFFAOYSA-N 448.552 3.117 0 1 IGAF O=C(c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1F)c1c[nH]c2ncncc12 113487729 IBMILCSIIZIDMM-UHFFFAOYSA-N 432.383 3.407 0 1 IGAF CCCS(=O)(=O)Nc1ccc(O[C@@H]2CCCOC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146765423 OITYKYVNANOBFD-MRXNPFEDSA-N 445.541 3.243 0 1 IGAF COc1ccccc1[C@@H]1[C@@H](C(=O)C(C)(C)CO)C(=O)C(=O)N1c1ccc(SC)cc1 169694966 MYWMQEBETXCPSE-RTBURBONSA-N 427.522 3.278 0 1 IGAF CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccc(F)cc1 199681399 WWQMJMXWEMVOMB-BJKOFHAPSA-N 446.588 3.394 0 1 IGAF 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CCOC(=O)C[C@@]1(c2cc(OC)c(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587445115 XAEIYNSAAIQIKG-GYCJOSAFSA-N 442.464 3.317 0 1 IGAF Cn1cnc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570641 OVLMETSOQMHHNE-CXAGYDPISA-N 448.216 3.433 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CN)(c2ncn(Cc3ccccc3)c2N)N1 587754219 KSHZCUUUCSRTDB-YEJXKQKISA-N 444.352 3.152 0 1 IGAF COC1=CN(c2ccc(-n3cccn3)cc2F)N=C(c2ccnn2-c2ccccc2)[C@@H]1O 1857546888 BDQGYAZWECUVIL-HSZRJFAPSA-N 430.443 3.270 0 1 IGAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)cc3C3CC3)sc2n1 1857593016 CNJLSROOTUUONM-UHFFFAOYSA-N 435.597 3.446 0 1 IGAF Cc1ncc(-c2ccc3c(c2)N(c2cnc(C)c(N4CCOC4=O)n2)C(=O)C3(C)C)cn1 1857641317 JGRWRDXQIOUQFM-UHFFFAOYSA-N 430.468 3.463 0 1 IGAF COc1cccc(CNC(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)c1 8590940 HLHLUTRUEDIUQY-UHFFFAOYSA-N 434.544 3.094 0 3 IGAF O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 766967 NPMJKMXIZNBGHA-PZJWPPBQSA-N 431.895 3.019 0 1 IGAF O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 4049387 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C/C(=C(/CCO)SCCC(=O)c1ccc(C)cc1)N(C=O)Cc1cnc(C)nc1N 1756087 PSFMECZYSPXRNW-LTGZKZEYSA-N 428.558 3.254 0 1 IGAF in-vitro CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NC[C@H](O)CC 4038974 KWZQDGGXLPRYLZ-JZWVFAODSA-N 425.529 3.130 0 1 IGAF O=S(=O)(NC[C@@H](O)c1cccc(OCc2ccc3ccccc3n2)c1)C(F)(F)F 26189168 GOFVGMNCCZECDT-GOSISDBHSA-N 426.416 3.286 0 1 IGAF O=C(O)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2oc3ccccc3c2c1 27518843 PVTAZXXDKDMCRE-LJQANCHMSA-N 435.457 3.355 0 1 IGAF COc1ccc([C@@H]2CN(C)Cc3cc(OCCCN4CCN(C(C)=O)CC4)ccc32)cc1 28818164 DTDLOHYXZTWBHO-SANMLTNESA-N 437.584 3.206 0 1 IGAF O=C(Nc1cc(Br)ccc1N1CCNCC1)c1cc(=O)c2ccccc2o1 34803867 FTIULOUIXJDGBN-UHFFFAOYSA-N 428.286 3.217 0 1 IGAF COc1cccc2c1[C@@H]1CCN(CCCCN3C(=O)c4ccccc4S3(=O)=O)C[C@@H]1C2 36187741 DDRLEZIXSWVAIO-RBUKOAKNSA-N 440.565 3.282 0 1 IGAF CCN(CC)c1nc(NCCNC(=O)c2cc(OC)c(O)c(OC)c2)c2ccccc2n1 40465853 PRINOMSJPSUEFE-UHFFFAOYSA-N 439.516 3.041 0 1 IGAF CC(=O)c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 45340247 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0 1 IGAF Cc1nc2ccc(C(=O)c3cnn(C)c3O)cc2c(=O)n1-c1cccc(OC(F)(F)F)c1 299837268 PSILVOHHEPGVGB-UHFFFAOYSA-N 444.369 3.263 0 1 IGAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Cl)nc(Cl)cc3[nH]2)cc1 586947052 RMTQNXTUHRYIPI-LLVKDONJSA-N 427.313 3.389 0 1 IGAF COc1ccc(Cc2nc3cc(Cl)cc(C)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 586957289 WUYCGVYFVQIDBD-UHFFFAOYSA-N 435.933 3.145 0 1 IGAF O=C(c1ccc(N2CCOCC2)cc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593135 JJNAUAODFARATK-OFVILXPXSA-N 431.444 3.442 0 1 IGAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CN4CC(F)F)nc(C3CC3)n2)cc1OC(F)F 653665375 HQIVRVJMDDJOTQ-STQMWFEESA-N 438.429 3.128 0 1 IGAF Cc1ccc(F)cc1OC1CN([C@H](C)c2nc(O)c3cnn(C4CCOCC4)c3n2)C1 1772580882 PKGUFLYXNMQEHH-CQSZACIVSA-N 427.480 3.155 0 1 IGAF CCn1cc(-c2nc3cnc(N4CCOCC4)cc3n2Cc2ccccc2)cc(C)c1=O 1772627049 BUXRTAIMQSPQKE-UHFFFAOYSA-N 429.524 3.473 0 1 IGAF C=CC(=O)Nc1cccc(Nc2ncnc3cc(OC)c(OCCN4CCOCC4)cc23)c1 1857535757 GQHUBOQJEZZXAX-UHFFFAOYSA-N 449.511 3.218 0 1 IGAF COc1cc(OC)c(-c2cn3ccc(N4CCN(CCN(C)C)CC4)cc3n2)cc1Cl 1857614298 ULQMLBRNDARWTC-UHFFFAOYSA-N 443.979 3.356 0 1 IGAF C[C@@H](N=c1[nH]c(-c2cccc(C(F)(F)F)n2)nc(=NCCOc2ccccc2)[nH]1)C1CC1 1857767730 YVNVAIVKELSNHE-CQSZACIVSA-N 444.461 3.498 0 1 IGAF O[C@@H]1[C@H](NCc2cc(-c3ccccc3)no2)[C@H]2CO[C@@H](O2)[C@@H]1n1cc(-c2ccccc2)cn1 2356626154 MNKFVZVBMKVMSL-JYSSUKAJSA-N 444.491 3.021 0 1 IGAF NC(=O)Nc1cccc(-c2cccc(S(=O)(=O)N[C@@H](CC(=O)O)c3ccccc3)c2)c1 13436795 HRQRCBHBVPQEDS-FQEVSTJZSA-N 439.493 3.339 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](O)[C@](C)(O)[C@@H](C)C2 15262620 RENKUVKNQJCSQP-PHVSPZQESA-N 448.512 3.382 0 1 IGAF biogenic CC(C)[C@H](OC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N[C@H](CC(=O)O)C(=O)CF 28131325 LULCZGRQLNZNBA-DOMZBBRYSA-N 437.251 3.065 0 1 IGAF C[C@H](COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)NC(=O)c1ccccc1 73298146 OLPSTWWOAPXNKC-AUSIDOKSSA-N 430.504 3.389 0 1 IGAF CCCCO[C@H]1C[C@H](C(=O)NCCc2cc(OC)cc(OC)c2)N(C(=O)c2ccco2)C1 82199415 BYWHGWVZSIIKHG-LEWJYISDSA-N 444.528 3.056 0 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425.838 3.206 0 1 IGAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21N[C@H](N)N(C(C)(C)C)C1=O 1772571649 PCGPUVWHHPVZPY-OZKGAODCSA-N 436.394 3.249 0 1 IGAF O=C(N[C@H]1CCC[C@@H]1Nc1ccc(OC(F)(F)F)cn1)c1ccccc1-n1nccn1 1772655571 ONJHLUPSZGESDL-HOTGVXAUSA-N 432.406 3.324 0 1 IGAF Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccc(F)cc3)cc2c1 20109266 UHBVVPKLUDUOEC-UHFFFAOYSA-N 438.503 3.342 0 3 IGAF O=S1(=O)c2ccc(Br)cc2-n2nncc2CN1Cc1cccc(Cl)c1 61924272 GCHAECVORIYFLC-UHFFFAOYSA-N 439.722 3.388 0 3 IGAF COc1cc(-c2noc(C)c2C(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1OC 61969113 AVHBWVYRRPWZIF-UHFFFAOYSA-N 426.425 3.335 0 3 IGAF CCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 13256634 ZTJSHYXWNHFZLK-UHFFFAOYSA-N 429.492 3.403 0 1 IGAF CC(=O)N[C@@H](Cc1ccc(OCCC(=O)Nc2ccccc2C(F)(F)F)cc1)C(=O)O 28708273 OTGIEODULOQIFZ-SFHVURJKSA-N 438.402 3.245 0 1 IGAF Cc1ccccc1-n1ncc(C(=O)c2cccc(C3CCN(S(C)(=O)=O)CC3)c2)c1N 58638431 KOCQZKPUMDARNV-UHFFFAOYSA-N 438.553 3.133 0 1 IGAF in-vitro 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Cc1nnc2n1-c1ccc(NC(=O)C3CCN(Cc4ccc5c(c4)OCO5)CC3)cc1CC2 40423049 WNSKZIDXVZDZOX-UHFFFAOYSA-N 445.523 3.254 0 1 IGAF CCOC(=O)[C@@]1(C(=O)NCCc2ccccc2F)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95593653 RGEJLLUAOKLHFK-XDHUDOTRSA-N 445.487 3.247 0 1 IGAF CC[C@H](O)CC(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 100636924 NQBCTWVAMGEJDT-HBMCJLEFSA-N 429.605 3.455 0 1 IGAF O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CCCCN1CCN(c2cccc(Cl)c2)CC1 100679440 SAHCFCFOKRFDAF-AJIIZAQNSA-N 439.987 3.295 0 1 IGAF Cc1c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc2c1C(=O)NC(C)(C)C(=O)N2 103298232 OLRFZSHQFMJUOB-UHFFFAOYSA-N 441.431 3.275 0 1 IGAF O=C(c1cnc(Nc2ncc3c4ccncc4n(C4CCCC4)c3n2)s1)N1CCNCC1 117682289 JQOIYKPXKQECLH-UHFFFAOYSA-N 448.556 3.340 0 1 IGAF N#Cc1ccc(-c2nc(NCCNc3ccc([N+](=O)[O-])cn3)ncc2-c2ncc[nH]2)cc1 146261992 RIOLKEAMCHKZRT-UHFFFAOYSA-N 427.428 3.233 0 1 IGAF CCc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2Cc1nn[nH]n1 148084592 DCYSWQLWJGNDDR-QGAUHXJISA-N 445.589 3.059 0 1 IGAF COCCCn1nc(C)c2c(Cl)cc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21 203692591 FUZDMPHNVOBBHN-FOIQADDNSA-N 434.968 3.075 0 1 IGAF CN(C)CCCOc1cnc(-c2cccc(Cn3nc(-c4cccnc4)ccc3=O)c2)nc1 203979593 UTRKTKXZUOHEGE-UHFFFAOYSA-N 442.523 3.141 0 1 IGAF COc1ccccc1N1CCN(C[C@H](O)CCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1 473105268 RGBNGNXRVODGQZ-OAQYLSRUSA-N 446.555 3.008 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(C)c(C)c3[nH]2)C(C)C)cc1 586933310 PJCQZKCHSLYINN-HXUWFJFHSA-N 428.558 3.491 0 1 IGAF N[C@H](N=O)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 586942160 BKZCGTMOWJPBEE-MRXNPFEDSA-N 428.301 3.114 0 1 IGAF Cc1ccc(Cc2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1C(F)(F)F 587095611 MWYMZXRFCICPSA-UHFFFAOYSA-N 446.473 3.231 0 1 IGAF Cc1ccc(S(=O)(=O)N2CC3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 587606373 HLFCGLGACUNQLP-HXUWFJFHSA-N 437.473 3.106 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cc(C(=O)O)nn2)(C(C)(C)C)N1 587759644 LQVMWJLCODSFGU-XTZNXHDOSA-N 425.302 3.354 0 1 IGAF Cc1c(O)ccc2c1[C@@](C)(c1cc3cc(Br)ccc3oc1=O)N[C@H](C(=O)O)C2 963521832 CLTRYDMCXIXAKU-YCRPNKLZSA-N 444.281 3.432 0 1 IGAF Cc1cc2c(cc1O)[C@H](c1c(-c3ccc4c(c3)OCO4)nc3sccn13)N[C@H](C(=O)O)C2 963525157 LPIPVJVZNOXYCF-MGPUTAFESA-N 449.488 3.494 0 1 IGAF Cc1cn(C(F)F)nc1C(=O)Nc1csc([C@]23CO[C@@H](C)C[C@H]2CSC(=N)N3)n1 1772642386 NZUIPBJGYCNZHU-YMNVWFMLSA-N 442.517 3.187 0 1 IGAF O=C(c1ccccc1-n1nccn1)N1C[C@@H]2CN(c3nc4cc(Cl)ccc4o3)C[C@@H]2C1 1772644831 ANNRLQHIJKDRKG-GASCZTMLSA-N 434.887 3.270 0 1 IGAF O=C(NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)C(=O)N(CC1=CC=CC1)C(=S)C2 1857599172 WSHGYSCRZLGAQY-IBGZPJMESA-N 446.528 3.468 0 1 IGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)N3CC(O)C3)cc21 1857614660 BHUKZPLUVKRLQC-UHFFFAOYSA-N 427.504 3.157 0 1 IGAF CCO[C@@H]1OC[C@@]2(C(=O)OC)CCC[C@]13[C@@H]2CC[C@@H]1[C@@H](C)C2=CC(=O)O[C@@]2(OC)C[C@H]13 2356687851 DCJZJZPAWZBROQ-JDGZJCOPSA-N 434.529 3.217 0 1 IGAF CCOC(=O)N1CCC(N2Cc3cccc(C(=O)N4C[C@@H](C)C[C@H](C)C4)c3C2=O)CC1 4437360 HSUVXHUKZJJVAT-IRXDYDNUSA-N 427.545 3.381 0 3 IGAF O=C(NCc1cccnc1)c1cc([C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)on1 61928879 QMWJTRJJAZYJRZ-FQEVSTJZSA-N 440.525 3.057 0 3 IGAF COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1 40935709 ZJODRBGRKHPTDB-UHFFFAOYSA-N 427.455 3.116 0 1 IGAF CS(=O)(=O)N(CCN)c1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1 72178224 BCBUOCNTMGMTQK-UHFFFAOYSA-N 443.577 3.190 0 1 IGAF Cc1ccc(NC(=O)c2ccoc2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O 84653653 NJOPZZLYRDEEQE-UHFFFAOYSA-N 443.507 3.291 0 1 IGAF in-vitro COc1ccccc1NC(=O)[C@H](C)Nc1nc2c(cnn2-c2ccccc2Cl)c(=O)[nH]1 95580392 JELIMQMIOWYCLR-LBPRGKRZSA-N 438.875 3.210 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)NC[C@H]1C 95688077 YSGNECPMBZHEAJ-MCFFVMPBSA-N 443.519 3.172 0 1 IGAF CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H]2O[C@@H](CC(=O)O)CC[C@H]21 95892773 HJRBVKTVNLVVPO-POAQFYNOSA-N 439.468 3.186 0 1 IGAF Cc1onc2c1C[C@]1(CC2)Cc2ccc(-c3cccc(C#N)c3)cc2[C@]12N=C(N)N(C)C2=O 140634101 KETJJWVTEIRQBP-IZZNHLLZSA-N 437.503 3.235 0 1 IGAF Cc1ccc(NC(=O)CSCCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 586970990 QYRGQEQDVNRFCI-UHFFFAOYSA-N 432.571 3.036 0 1 IGAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(C[C@@H](N)C(=O)O)cc1)[C@@H](C2)C3=O 587434076 QSKLSJRCBXKUHV-UZINWLIJSA-N 429.472 3.341 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cn2c(=O)oc(=O)c3ccccc32)N1 587770379 QBAOYVKLHOVIQU-GIPWTMENSA-N 433.277 3.306 0 1 IGAF CN[C@H](C)C(=O)Nc1cc(-c2c(C)ccc3ncccc23)cc(NC(=O)c2cccnn2)n1 1772631156 HIXKOIASPWPFDI-OAHLLOKOSA-N 441.495 3.194 0 1 IGAF COCCCOc1cc2c(cc1OC)-c1cc(=O)c(C(=O)O)cn1[C@H](C(C)(C)COC)C2 1857654349 HCUXJYVAGUJQQK-QFIPXVFZSA-N 445.512 3.407 0 1 IGAF COc1c(O)c(Cc2cc[nH]c2)c2c(c1OCCCO)C(=O)C[C@H](c1ccc(O)cc1)O2 2356833367 WUIUFEQHTSUQMR-LJQANCHMSA-N 439.464 3.493 0 1 IGAF C[C@@]1(C(=O)NS(=O)(=O)Cc2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1 61927978 WNKVKVLKSPRXJR-NRFANRHFSA-N 446.956 3.009 0 3 IGAF CC1(C)C[C@@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(N)=O)ccc2O1 758506 MLTJPOSRIJIDRJ-TZIWHRDSSA-N 438.524 3.474 0 1 IGAF O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(F)cc1Cl 766938 YBWXNVICHDUORZ-FPOVZHCZSA-N 431.895 3.019 0 1 IGAF CC[C@@H]1CCCCN1C(=O)Cn1c(=O)n(-c2cc(F)ccc2F)c(=O)c2sccc21 9598575 KGSKUOVMWONDHS-CQSZACIVSA-N 433.480 3.283 0 1 IGAF COc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@H](NC(=O)c4ccco4)C[C@H]2C(=O)N3)cc1 15709324 CMMSJIYCPLMQLY-UWJYYQICSA-N 445.475 3.311 0 1 IGAF biogenic CC(C)C(=O)OCC(=O)[C@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3C(=O)C[C@]12C 27518964 UHWOAYITUVVFCV-OKGYYCIWSA-N 434.529 3.226 0 1 IGAF O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)Cc1ccccc1O 29569569 FYCAMGQPDONZNG-QMWXCIFZSA-N 431.532 3.319 0 1 IGAF COc1cc(-c2cc(=O)c3ccc(OC[C@@H](O)CNC(C)C)cc3o2)cc(OC)c1OC 35861821 VZQTYWGGWGEXAC-INIZCTEOSA-N 443.496 3.224 0 1 IGAF CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OCC)CC1 40466277 INOHNPKORNRTTI-UHFFFAOYSA-N 431.508 3.398 0 1 IGAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCN(c2ccc(F)cc2)CC1)c1ccccc1 43527383 QRTVVQHFSZPXSX-OTNCWRBYSA-N 436.575 3.088 0 1 IGAF biogenic O=S(=O)(Cc1ccccc1)N1CCN([C@@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72103726 ZUUCPPXJVOSKOT-QFIPXVFZSA-N 442.972 3.367 0 1 IGAF COc1cc(-c2csc(N3CCC[C@H]3C(=O)NC[C@@H]3CCCO3)n2)cc(OC)c1OC 82194198 HHYPLWPAYPDKFA-RDJZCZTQSA-N 447.557 3.100 0 1 IGAF COc1cc([C@@H]2SCC(=O)N2NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)ccc1O 84689446 NQBGMMCRYLLKKS-FQEVSTJZSA-N 444.900 3.363 0 1 IGAF CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H]2O[C@@H](CC(=O)O)CC[C@@H]21 95892771 HJRBVKTVNLVVPO-IMFGXOCKSA-N 439.468 3.186 0 1 IGAF COc1cccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@H](CO)N3C(=O)c2ccccc2)c1 95893369 HWMBJNWQXXHKTF-KMDXXIMOSA-N 428.488 3.325 0 1 IGAF COc1ccc([C@H]2SCC(=O)N2NC(=O)c2cc(OC)ccc2Br)cc1 103191233 MXUVGJGVAVFIOZ-GOSISDBHSA-N 437.315 3.385 0 1 IGAF CO/C(O)=C1\C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(OCc2ccccc2)c1 103629855 MDPNWAOJETVHQZ-UNJZAIIMSA-N 447.491 3.317 0 1 IGAF CN(C)c1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1 114342512 AWJSEDIXXHFUSS-UHFFFAOYSA-N 441.495 3.054 0 1 IGAF CCc1cccc(NC(=O)[C@@H]2C[C@@H]3C[C@H]3N2C(=O)Nc2cn(C(N)=O)c3ccccc23)n1 205048081 HEZGYSLGTOIDLQ-BKTGTZMESA-N 432.484 3.159 0 1 IGAF Cn1ncc(-c2ccc(C(=O)N(c3ncccc3Cl)[C@@H]3CCCNC3)cc2)c1C(=O)O 219135233 JCBYYLWIQXBYND-MRXNPFEDSA-N 439.903 3.233 0 1 IGAF COc1ccc(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)cc1OC 220246380 PCZYFTWNHASLMV-UHFFFAOYSA-N 433.511 3.492 0 1 IGAF Cc1ccc(C(=O)N[C@H]2CC[C@H](CCN3CCN(c4nccc5c4CCO5)CC3)CC2)cn1 261174437 UNPARBQWWULNRE-AQYVVDRMSA-N 449.599 3.221 0 1 IGAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc(C(=O)O)c(F)cc4[nH]3)cccc12 586942186 SSTAVBWVOJOAJN-UHFFFAOYSA-N 442.472 3.098 0 1 IGAF O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 586944779 VRXPINBARLMURD-UHFFFAOYSA-N 432.933 3.174 0 1 IGAF NS(=O)(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3C(=O)Cc3ccsc3)[nH]c2c1 587026619 LRDDCDPFFBFMAT-KYNGSXCRSA-N 444.582 3.347 0 1 IGAF FC(F)(F)c1ncc2nc(-c3ccc4ncc(I)n4c3)nc-2[nH]1 587187125 COSSOMNHARZPJG-UHFFFAOYSA-N 430.131 3.243 0 1 IGAF CC1=C(c2ccc3nc(C4(NC(=O)OC(C)(C)C)CCC(=O)CC4)[nH]c3c2)NNC(=O)C1 587234505 ODIHJXDYEQPTFW-UHFFFAOYSA-N 439.516 3.182 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CN1C(=O)CCC1=O)c1ccccc1 587580257 BGIXSQJFKFOTOH-WIOPSUGQSA-N 429.428 3.398 0 1 IGAF COC(=O)C1CCN(C(=O)C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587769232 NLCYKQCEOBHVOC-YUNKPMOVSA-N 441.341 3.139 0 1 IGAF CCN1C=C(C(=O)O)[C@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c2cc(OC)ccc21 962732099 WSGOZGCWSNPCBD-PGRDOPGGSA-N 446.425 3.393 0 1 IGAF CC(C)(C)c1[nH]cnc1/C=c1\nc(O)/c(=C/c2cccc(Oc3cccc(F)c3)c2)nc1O 1911584337 HOMXKGKVZYLLHL-LGKWVNEISA-N 446.482 3.497 0 1 IGAF C=C[C@]1(C)C[C@H](O)C2=C([C@H]1OC(C)=O)[C@H](OC(C)=O)C[C@H]1[C@]2(C)CCC[C@@]1(C)C(=O)OC 14811960 XSQFOKGWARTSHK-DKWUMIJFSA-N 448.556 3.493 0 1 IGAF biogenic COCCCNc1nc2c(S(=O)(=O)c3ccc(C)c(C)c3)nnn2c2ccsc12 20922174 NGEUNXZKWUYHMR-UHFFFAOYSA-N 431.543 3.237 0 1 IGAF C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)N4CCN(c5ccccc5)CC4)c3)C(=O)[C@@H]21 34736610 MWXPFVNIHDDVLW-YFXJRYMSSA-N 429.520 3.351 0 1 IGAF c1cc(-n2cnc(N3CCOCC3)n2)ccc1Nc1ncc2ccc(-c3cnoc3)cc2n1 71316337 IZXKZRFEKYIOCQ-UHFFFAOYSA-N 440.467 3.446 0 1 IGAF CN(C)CC(=O)N1CCCCN2[C@H](C1)[C@@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO 95877038 ZAHXKZOKOUSJMC-IYQUBAFESA-N 433.596 3.170 0 1 IGAF O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 245276895 ZGLOWAKIKVYZHY-YLJYHZDGSA-N 439.537 3.221 0 1 IGAF CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(O[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)cc1F 261162194 RASHHQCIWFZESH-DMGVNNLFSA-N 430.929 3.219 0 1 IGAF O=S(=O)(Nc1ccccc1-c1nc2ccc(CO)cc2[nH]1)c1ccc2c(c1)OCCO2 586949889 FJQHHTKXTCKQNF-UHFFFAOYSA-N 437.477 3.294 0 1 IGAF CC(=O)Nc1ccc([C@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587338200 QZWOQGGWDCRMNN-URXFXBBRSA-N 437.423 3.055 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCSCC3)nc3c(C)cccn3c1=O)O2 587415762 WVWGCZMICMNWLU-GOSISDBHSA-N 436.537 3.153 0 1 IGAF CCOC(=O)C(=O)NC[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587755838 PPJUKQGKHAHYLO-LRTDBIEQSA-N 449.320 3.045 0 1 IGAF COc1ccc([C@]2(COCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587794619 OYBGPUQHURWHEU-ODXCJYRJSA-N 438.293 3.476 0 1 IGAF COCCCN1CCc2ccc(OC)cc2[C@]12CC(=O)N1CCCCCC1=C2C(=O)OC 961325049 OVKVMOYZFIGNDT-VWLOTQADSA-N 442.556 3.019 0 1 IGAF O=C(NC1CC1)C1=C[C@H](c2coc3ccccc3c2=O)C[C@H](OCc2ccc(CO)cc2)O1 12482558 IVHBCEGFJBCWII-MHECFPHRSA-N 447.487 3.495 0 3 IGAF O=C(NCc1cccnc1)c1cc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)CCO3)on1 61903158 GVWNTANSQVFOPX-FQEVSTJZSA-N 432.480 3.302 0 3 IGAF CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@H]2c2ccoc2)C1 4051883 SVACKPHWLPAPJP-NSHGMRRFSA-N 425.485 3.497 0 1 IGAF Cc1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1nnc(NC(=O)c2ccccc2F)s1 8587885 WUCDUPDORKWNCY-GFCCVEGCSA-N 432.502 3.378 0 1 IGAF Nc1ncnc2c1ncn2CCOC[P@@]1(=O)OCC[C@H](c2cc(F)cc(F)c2)O1 28974594 GNFAFBVSLUZXIL-IZPCHGGPSA-N 425.332 3.032 0 1 IGAF CCCCNC(=O)N1Cc2c(NC(=O)c3ccc(OC)cc3)nn(C(=O)C3CC3)c2C1 95579560 JHXPKIVVBVBBBE-UHFFFAOYSA-N 425.489 3.020 0 1 IGAF CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]1C 95679651 YXTUUNAVVDQDQI-JKSBSHDWSA-N 431.577 3.251 0 1 IGAF CN1CCN(CCNCc2cn(-c3ccc(F)cc3F)nc2Cc2ccccc2)CC1 96938563 PKRYWOLGVWLJLL-UHFFFAOYSA-N 425.527 3.078 0 1 IGAF O=C(N[C@@H]1COC2(CCNCC2)C1)c1ccc(NC(=O)N2Cc3ccc(F)cc3C2)cc1 166069748 QFCGOCGEOMECOM-NRFANRHFSA-N 438.503 3.014 0 1 IGAF Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)OCCO[N+](=O)[O-])cc2)c1 263621071 TVDZEGBJVSYGIU-UHFFFAOYSA-N 430.457 3.394 0 1 IGAF in-vitro O=C1NCCCC[C@@H]1NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1c(F)cccc1Cl 299875641 DFWPLFRCNNLWHX-HQRMLTQVSA-N 429.879 3.356 0 1 IGAF CN1CCC[C@H]1COC(=O)[C@H]1CCCN(C(=O)c2csc(Nc3ccccc3)n2)C1 299885685 VVECSMSTSNNLAX-WMZOPIPTSA-N 428.558 3.376 0 1 IGAF O=C1c2ccc(O)cc2OC2(CCN(CCN3CCOCC3)CC2)[C@@H]1c1ccc(F)cc1 587347843 VFOXNHQZPDZLNQ-HSZRJFAPSA-N 440.515 3.057 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@]1(CCC(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418854 DHCYGIYNQFHEJN-ZUOKHONESA-N 444.402 3.266 0 1 IGAF 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COCCOc1cc2ncc(-c3cc(N)nc(Cl)c3)n2cc1S(=O)(=O)C(C)(C)C 1857744556 DCAJEEHUEYUYHB-UHFFFAOYSA-N 438.937 3.229 0 1 IGAF CC1(C)COC(c2ccc(I)cc2I)=N1 2356864285 VTCHHTCQMAFJHP-UHFFFAOYSA-N 427.023 3.451 0 1 IGAF O=C(NCCN1CCOCC1)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 766965 NPMJKMXIZNBGHA-FPOVZHCZSA-N 431.895 3.019 0 1 IGAF O=P(O)(O)CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnnn1Cc1ccccc1 29318476 TZPVQFHJFOWMMZ-QFIPXVFZSA-N 449.451 3.397 0 1 IGAF COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O)OC(C)(C)CC4)cc1S(=O)(=O)O 43077931 ASXSCWPVQXPLAZ-UHFFFAOYSA-N 448.449 3.230 0 1 IGAF OC[C@H]1O[C@@H](c2cc(Cc3ccc(C4CC4)cc3)c(Cl)c3ccoc23)[C@H](O)[C@@H](O)[C@@H]1O 206068658 BAKNBYQRETWYCU-YVTYUBGGSA-N 444.911 3.069 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCO[C@@H]2Cn2ccc(-c3ccc(F)cc3)n2)c1 210593946 GUQHPENKNGCHKL-JOCHJYFZSA-N 432.459 3.077 0 1 IGAF C[C@@H]1N[C@@H](c2ccccn2)NC(=O)[C@H]1CC(=O)NCc1cccc(Oc2ccccc2)c1 214235952 WMZFSXUXRLDXFG-CODAWKSHSA-N 430.508 3.303 0 1 IGAF COC(=O)[C@]1(Cc2ccccc2OC)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 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CN(C)CCn1cc(-c2ccc(F)c(CO)c2)c2c(N[C@H](CO)c3ccccc3)ncnc21 1857636530 AEYZDOPGQPSVKU-JOCHJYFZSA-N 449.530 3.437 0 1 IGAF CCOC(=O)[C@]12CCCC=C1N(CCCOC)C(=O)[C@@H]2CC(=O)NCC1CCCCC1 201480441 UMFIAXDIAAEFSA-CYFREDJKSA-N 434.577 3.185 0 3 IGAF C[C@@](CCCN)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 26164305 CGWXSNUWEKOMLJ-KKWQHQMHSA-N 427.589 3.394 0 1 IGAF O=C(N[C@H]1CCC[C@H]1NC(=O)c1cnc(Cl)s1)c1ccc(-n2ccccc2=O)cc1 28822853 XMXYYVQRZVXLBE-JKSUJKDBSA-N 442.928 3.028 0 1 IGAF C[C@@H](Nc1nc(N)nc(-c2cccc(C[C@H](N)C(=O)O)c2)n1)c1ccc2ccccc2c1 40393078 ZBHARZHGNFBVLK-VLIAUNLRSA-N 428.496 3.402 0 1 IGAF CC(C)(Cc1ccc(OC(F)(F)F)cc1)NC[C@H](O)c1cc(O)cc2c1OCC(=O)N2 45371550 XKZCRXWEEMHDDT-KRWDZBQOSA-N 440.418 3.266 0 1 IGAF COC(=O)n1[nH]c(=O)c(-c2cc(OC)c(OC)c(OC)c2)c1-c1ccc(OC)c(F)c1 49113344 DLDVIZGGNOVYBM-UHFFFAOYSA-N 432.404 3.298 0 1 IGAF COC(=O)[C@H]1C[C@@H](OC(C)=O)C(=O)[C@@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@H](c3ccoc3)C[C@@]12C 60027364 OBSYBRPAKCASQB-MWZKTGKKSA-N 432.469 3.000 0 1 IGAF 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CCn1cc(C(=O)N2CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 4100581 CCLZLJZUJJFODO-UHFFFAOYSA-N 445.585 3.068 0 3 IGAF CCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2C[C@@H]2CCCO2)cc1OC 4111987 MLJVJWTXGCQPOB-CVDCTZTESA-N 430.545 3.318 0 3 IGAF O=S1(=O)NC2(CCN(CCc3ccc(Cl)cc3)CC2)Nc2cc(F)cc(F)c21 24905975 DLHHHBONHYKLOR-UHFFFAOYSA-N 427.904 3.357 0 1 IGAF COc1cc2nc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)nc(N)c2cc1OC 28458956 TVFFFXASGIMNCD-UHFFFAOYSA-N 449.555 3.489 0 1 IGAF Nc1nccc(-c2ccc3nc([C@H]4COc5c(CC(=O)NC6CC6)cccc5C4)[nH]c3c2)n1 49113083 QESAMTXGZKKXSR-QGZVFWFLSA-N 440.507 3.142 0 1 IGAF CC[C@@]1(O)CC(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C(F)(F)F 53298722 VZLXVKJZIVPFQI-OAQYLSRUSA-N 430.382 3.489 0 1 IGAF CSCCCNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 82218957 WYTRQZVEVLDIOH-VQTJNVASSA-N 430.570 3.381 0 1 IGAF C[C@H](NC(=O)[C@H](Cc1ccccc1)CN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1)C(=O)O 87723695 OJPHTSOMTCBSRQ-LDKWEEINSA-N 438.568 3.440 0 1 IGAF 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Cc1ccc(S(N)(=O)=O)cc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605349 CFARRWRAVGUDRS-KNQAVFIVSA-N 425.462 3.225 0 1 IGAF CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@]1(C2)c2c(F)cccc2C[C@@H]2CCCN21 963103561 LCQQPETZBBOIGT-VUHWMDJISA-N 443.515 3.297 0 1 IGAF Cc1cccc(C(=O)N[C@H]2C[C@@H](n3cnc4c(NCc5ccccc5F)ncnc43)C2)n1 1772618735 WTBBFKSGIYIFED-CALCHBBNSA-N 431.475 3.414 0 1 IGAF N=C1NC(N2CCOCC2)=N[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 1857613284 AWHBULOCGPPCEE-HXUWFJFHSA-N 435.919 3.007 0 1 IGAF O=C(NCc1ccccn1)[C@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c(O)cc1O 1857645290 WJMCMMZLFRTPBZ-LJQANCHMSA-N 437.883 3.030 0 1 IGAF O[C@H]1[C@H](Sc2ccccc2)[C@H]2OC[C@@H](O2)[C@@H]1NCc1ccc(OC(F)(F)F)cc1 2356843265 NKDUGCIXJWXTPJ-LFDJNIOPSA-N 427.444 3.320 0 1 IGAF CC(C)C[C@H](C[P@](=O)(O)[C@@H](N)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 13807155 YLKFDKFPSCCFCF-QHAWAJNXSA-N 446.484 3.389 0 1 IGAF CCOC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)C1 13832120 NAILEPLTGOUWNK-INIZCTEOSA-N 428.360 3.301 0 1 IGAF N[C@@H](Cn1c(=O)c(-c2ccccc2F)c2n(c1=O)[C@H](c1ccccc1)CO2)c1ccccc1 28127958 UJAOMETUOCOAHK-VXKWHMMOSA-N 443.478 3.498 0 1 IGAF CN(C[C@@](C)(CCN1CC[C@H]2NCC[C@@H]2C1)c1ccccc1)S(=O)(=O)c1ccccc1 38321306 BGPCWZSXSNZJJJ-NQHRYMMQSA-N 441.641 3.339 0 1 IGAF CC(C)(C(=O)Nc1nnc([C@]2(C)CCOC2)s1)S(=O)(=O)c1ccc(Cl)cc1 40845739 RZVOLNBRSAOMJA-QGZVFWFLSA-N 429.951 3.061 0 1 IGAF O=C(N[C@H](CN1CCCC1)c1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 45318286 WBUJFQWKXTXSSU-PKTZIBPZSA-N 441.597 3.183 0 1 IGAF N=C(N)c1ccc([C@@H]2[C@H]3CCC[C@@H]3[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@@H]32)cc1 70718789 QJGQVLOGIIJMMJ-RNWQKYJXSA-N 431.492 3.014 0 1 IGAF O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccco1 82205447 RXUOPVJSPUYUOG-IBGZPJMESA-N 448.523 3.472 0 1 IGAF CNc1nc2nc(-c3ccc(C(=O)O)cc3)n(CCOc3ccc(Cl)cc3)c2c(=O)[nH]1 84738990 HFRKMLGFCHVWTG-UHFFFAOYSA-N 439.859 3.259 0 1 IGAF O=S1(=O)Cc2nc(-c3cc(F)c(Cl)cc3F)nc(N3CCC(CCO)CC3)c2C1 95576190 NKKFFSLGVJNWJZ-UHFFFAOYSA-N 443.903 3.102 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(Cc2cccnc2)C1 95865061 XIJULWMAQMNBMA-JOCHJYFZSA-N 446.551 3.001 0 1 IGAF CC(C)C(=O)N1CCC[C@@H](c2cccnc2OC2CN(C(=O)c3nc4ccccc4[nH]3)C2)C1 96168881 SPMFAAOODORGCL-QGZVFWFLSA-N 447.539 3.223 0 1 IGAF CO/C(O)=C1\C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(OCc2ccccc2)c1 103629853 MDPNWAOJETVHQZ-FIPQWBAWSA-N 447.491 3.317 0 1 IGAF Cc1ccc(NS(=O)(=O)CCc2ccc(C#CC(C)(C)C)cc2)c(S(N)(=O)=O)c1 149243202 VGBHKDOSWIFJDR-UHFFFAOYSA-N 434.583 3.024 0 1 IGAF O=C(N1CCc2ccc(C(F)(F)F)cc2C1)[C@]12CCO[C@@H]1C[C@H](NC1CCOCC1)C2 221263976 HBUDXPHYMVPJQY-VWPQPMDRSA-N 438.490 3.296 0 1 IGAF CO[C@@H]1C=CC=CC=CC[C@H](O)C[C@H](O)CC=CC=CC=CC(=O)O[C@H](C[C@H](C)O)C1 299807751 SZPWNRYGTQYOLD-QJUOVVKFSA-N 432.557 3.317 0 1 IGAF CCO/C(O)=C1\C(C)=NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(O)c(OC)c1 299883128 QVIRTYGBCOLAKS-SWGJXWGUSA-N 429.469 3.417 0 1 IGAF CCOc1cc2oc(=O)c(-c3nc4nc(N)nc(Cl)c4[nH]3)cc2cc1Br 586998646 NCVIFKVCLNJFII-UHFFFAOYSA-N 436.653 3.523 0 1 IGAF CCS(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 587019260 IZHYNONUTROSFP-UHFFFAOYSA-N 442.522 3.362 0 1 IGAF CC[C@@H](C)n1ncc(I)c1-c1nc2nccc(C(=O)OC)c2[nH]1 587179919 AZESKWVAUZOJTR-MRVPVSSYSA-N 425.230 3.184 0 1 IGAF Cc1c(I)cnn1[C@@H](C)c1nc2cc(Br)ncc2[nH]1 587182709 QYJCSYZIOAMHDV-ZETCQYMHSA-N 432.063 3.439 0 1 IGAF COC(=O)CC[C@H](C(=O)OC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346042 ARYSAECNXGYMGE-HCLVMJGWSA-N 430.428 3.391 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C(O)O)N1 587676697 FLHLZODNSZODFP-XYZCENFISA-N 445.126 3.439 0 1 IGAF O=C(NCc1nc2ccccc2[nH]1)c1csc(CCNCc2nc3ccccc3[nH]2)n1 1857574944 OCVCODWDARDHJB-UHFFFAOYSA-N 431.525 3.158 0 1 IGAF COc1cc(OC)cc(Oc2ccc([C@H](C)N(C)c3ncc4c(=N)[nH]c(=N)nc-4[nH]3)cc2)c1 1857613902 NDVSCZJCNUNXOK-ZDUSSCGKSA-N 447.499 3.203 0 1 IGAF CC[C@H](C)[C@H](NC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O)C(=O)OC 1857653471 TTYBYBJJSTXHTB-XYSPDICFSA-N 447.528 3.353 0 1 IGAF O=S(=O)(c1ccc2c(c1)c(Nc1ccc(F)cc1)nn2C1CC1)N1CCC[C@@H](O)C1 1911572774 OXYRQFFCZSGPPL-QGZVFWFLSA-N 430.505 3.399 0 1 IGAF CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4NCC3CCCCC3)n2)cc1 2356851315 QGFQEHPPKKLHLD-YCAMKHIRSA-N 437.588 3.326 0 1 IGAF CC(C)CCNC(=O)c1cnc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cn1 6745807 DZPFDWOHVKGPOK-UHFFFAOYSA-N 449.477 3.234 0 1 IGAF CN(C)CCN1C(=O)c2cccc3cc(NCc4ccc5c(c4)OCCO5)cc(c23)C1=O 28712277 NVBUGBKOEDFNJV-UHFFFAOYSA-N 431.492 3.381 0 1 IGAF CN1C(=N)N[C@](c2ccc(OC(F)F)cc2)(c2ccc(F)c(OCC(F)F)c2)C1=O 35261808 KIAGCWNNPCJGFV-LJQANCHMSA-N 429.345 3.311 0 1 IGAF O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)OCCCCO[N+](=O)[O-] 71261133 JFXTWCPYTPAYKL-UHFFFAOYSA-N 429.381 3.076 0 1 IGAF COc1cccc(CNC(=O)c2[nH]c3cc(-c4cn[nH]c4)ccc3c2CN2CCOCC2)c1 73196364 USACHTMSCZBEJZ-UHFFFAOYSA-N 445.523 3.329 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@H](C)NC[C@@H]1C 95688076 YSGNECPMBZHEAJ-PONJGIIJSA-N 443.519 3.172 0 1 IGAF O=C(O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCc1ccccc1 95881520 BMAHPQVXADCICS-IQFVJIFQSA-N 434.536 3.097 0 1 IGAF COc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 96283388 ZXUGLISADYYLBK-UHFFFAOYSA-N 447.539 3.156 0 1 IGAF in-vitro COc1ccc([C@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2Cc2cccnc2)cc1OC 110785027 DNPKYEGYXICBIC-SFTDATJTSA-N 434.448 3.152 0 1 IGAF COC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)N(CCc2cc(OC)c(OC)c(OC)c2)[C@@H]1C 169340885 AHKBLVRZDVXQIO-GQWLDOHISA-N 442.512 3.199 0 1 IGAF CC(C)Oc1cccc(Nc2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c1 205035684 MWRXPVUOFUGJNR-IUXPMGMMSA-N 433.472 3.015 0 1 IGAF CS(=O)(=O)N1CCC(Nc2ncc(Cl)c(NCCc3ccc(Cl)cc3)n2)CC1 299829356 LZLCCSHSRGOIAB-UHFFFAOYSA-N 444.388 3.274 0 1 IGAF CCC[C@]1(CC(=O)N[C@H]2CCOC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338113 QLXHOEBSNAARMH-SNYIIPAISA-N 441.455 3.251 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@@H]21 587486371 XKSSOAGDUCOMBO-RAYDZDOYSA-N 434.485 3.077 0 1 IGAF CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 587597438 UMXPMEFKBSOFEO-XFOKUXKESA-N 437.492 3.434 0 1 IGAF CN(C)C(=O)c1ccc2c(c1)[C@@H](c1cccc(-c3ccc(S(C)(=O)=O)cc3)n1)NCC2 962929233 HPAXZEGSWXZCEC-QHCPKHFHSA-N 435.549 3.089 0 1 IGAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc3ccnn3c2)N1C(=O)c1ccccc1 963416187 NHLPKFWWMXXERE-NZQKXSOJSA-N 437.459 3.452 0 1 IGAF COc1ccc2ccc(=O)oc2c1[C@H](OC(C)=O)[C@@]1(C(C)C)c2nn(C)cc2CCN1C 963954299 IVPICQAQCZNWLZ-BJKOFHAPSA-N 439.512 3.179 0 1 IGAF Oc1nc(N2CCOCC2)nc(N[C@@H]2CCCNC2)c1-c1nc2cccc(Cl)c2s1 1772625155 ZIIGJXGYHZRFJE-GFCCVEGCSA-N 446.964 3.113 0 1 IGAF CCOC(=O)C1=CN(Cc2ccco2)S(=O)(=O)N(C)[C@@H]1c1ccc(C(F)(F)F)cc1 61958794 SCYIOZPAOQEYAT-QGZVFWFLSA-N 444.431 3.479 0 3 IGAF C[C@H](NC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1ccco1)[C@@H](O)c1ccccc1 4381378 RTRJHCUKMFRIHX-GDXZIDHASA-N 448.519 3.318 0 1 IGAF Cc1cc(OCc2cccnc2)c(C)c2c1CC[C@H]([C@@H](C)C(=O)N1CCN(C)CC1)[C@H]2O 25204735 DZFGLQMZNYWQDW-YBGOQADZSA-N 437.584 3.283 0 1 IGAF biogenic NCc1ccc2c(c1)nc(Cn1c(=O)n(C3CC3)c(=O)c3ccccc31)n2CCCCF 28824467 UCVOUXKWKUTQRJ-UHFFFAOYSA-N 435.503 3.105 0 1 IGAF CC(C)(C)c1cc(N2CCNCC2)c2c(c1)N(S(=O)(=O)c1ccccc1F)CCO2 28948482 LIQBQUAEISEFIH-UHFFFAOYSA-N 433.549 3.121 0 1 IGAF CC(C)C[C@H]1C(=O)N(COC(=O)CCc2ccccc2)S(=O)(=O)N1Cc1ccccc1 58583243 BKAYDBIJZLVKMQ-NRFANRHFSA-N 444.553 3.124 0 1 IGAF CC(=O)N(C)[C@H]1CCN(C(=O)Nc2ccc(N3CC[C@@H](N4CCC[C@@H]4C)C3)c(C)c2)C1 59260589 XPNGRYZHYABEFS-YUXAGFNASA-N 427.593 3.143 0 1 IGAF COc1cccc(CNC(=O)[C@@H](NC(=O)c2coc(-c3cccs3)n2)C(C)C)c1OC 82082106 CSXZEUDGUFNSKW-SFHVURJKSA-N 443.525 3.491 0 1 IGAF CCCCOCCOC(=O)[C@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82083867 CCAKAEBEIKPDJT-AWEZNQCLSA-N 436.530 3.306 0 1 IGAF CS(=O)(=O)c1cccc(-c2cccn3nc(Cc4ccc(N5CCOCC5)cc4)nc23)c1 96169543 FHTKBQWLZQAMGG-UHFFFAOYSA-N 448.548 3.227 0 1 IGAF CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)cc(F)c1 101129620 DGSTVEUFOUOBHT-MRXNPFEDSA-N 425.460 3.444 0 1 IGAF Cc1nc2ccccc2nc1-c1nc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1 206027831 ZHJRMZVCRPEPNP-UHFFFAOYSA-N 430.516 3.234 0 1 IGAF C[C@@H](NC(=O)Nc1cc2[nH]nc(C(=O)NC[C@H]3CCC[C@H](O)C3)c2cn1)c1ccccc1 219749912 HEEJTKKHFDOCFG-VYDXJSESSA-N 436.516 3.122 0 1 IGAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cc(C)c(C)cc3[nH]2)cc1 586940432 QRPITXIBLLDRIC-FQEVSTJZSA-N 426.542 3.130 0 1 IGAF O=C(CCc1nc2c(F)cnc(Br)c2[nH]1)Nc1nnc(-c2ccncc2)s1 587023488 CUMJTLMHIZJWCQ-UHFFFAOYSA-N 448.281 3.344 0 1 IGAF CC(C)(C)OC(=O)N[C@]1(c2nc3c(S)nc(S)nc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587240763 WGHTVEXQPUGKDE-NWJBQHJCSA-N 437.591 3.485 0 1 IGAF CCOC(=O)C[C@]1([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 587397244 YPCOFBJGFIBSMO-WNSKOXEYSA-N 432.517 3.491 0 1 IGAF COc1cc2c3c(c1)O[C@]1(CCC=C(NNS(=O)(=O)c4ccc(C)cc4)C1)[C@@H](C2)C3=O 587448484 JVLKZXXGJXHOHZ-CVDCTZTESA-N 440.521 3.041 0 1 IGAF O=C(C[S@](=O)Cn1cc(Cl)cn1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587662227 YCYPSLXEYUVEFD-PMERELPUSA-N 444.875 3.099 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CC(=O)c2ccnn2C)(c2ccnn2C)N1 587758768 JMGIMMXYXNRSDZ-MPBGBICISA-N 446.324 3.106 0 1 IGAF O=C1C=C(C(F)(F)F)N[C@@H]([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)N1 963816754 HNIJVDXSOMIFOV-FCHUYYIVSA-N 442.441 3.425 0 1 IGAF N[C@]12C[C@H]1CN(c1ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc1-c1cc[nH]n1)C2 1772587677 OWSNJCJWCCXWGC-RBZFPXEDSA-N 444.417 3.160 0 1 IGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@H]3CCO[C@@H](C)C3)c2cn1)c1ccccc1 1772611805 DAQQYHPLOGPNDW-URLQWDBASA-N 425.489 3.413 0 1 IGAF Cc1ccc(-c2ccc(C(=O)N[C@H](c3nc(C)c(CO)[nH]3)[C@H]3CCCCN3)[nH]2)cc1F 1772618851 HBUVBLUFSSUMQD-NQIIRXRSSA-N 425.508 3.266 0 1 IGAF CC(=O)N1N=C(c2ccc(OS(N)(=O)=O)cc2)C[C@H]1c1c(Cl)cccc1Cl 1857588866 XDPKIQYCGBZKLX-INIZCTEOSA-N 428.297 3.273 0 1 IGAF COc1cc(C(=O)Nc2ccc(NS(=O)(=O)c3cccnc3)cc2)cc(OC)c1OC 1911576696 CFPUATYTCNRHEK-UHFFFAOYSA-N 443.481 3.161 0 1 IGAF Oc1n/c(=C\c2nc[nH]c2C2CC2)c(O)n/c1=C\c1cccc(Oc2ccc(F)cc2)c1 1911577645 RIUZKHHCTAFABG-ACXSEBCSSA-N 430.439 3.077 0 1 IGAF OC[C@@H]1[C@H](O)C[C@H](NCc2ccccc2F)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356680699 QZYVRJIVZQTLLN-CQIJRDABSA-N 425.479 3.112 0 1 IGAF CC(C)NC(=O)c1cc([C@@H]2CCCCN2S(=O)(=O)c2cccc3cccnc23)on1 61895647 UKDNFJFMVBDDNI-KRWDZBQOSA-N 428.514 3.277 0 3 IGAF CCOC(=O)[C@@H]1[C@H]2COc3cc(OC)ccc3[C@@H]2N2C(=O)N(c3ccccc3)C(=O)[C@]12C 61959593 IHCJAKUROQPLAM-QHYAIYAISA-N 436.464 3.165 0 3 IGAF CC[C@@H](O)CNC(=O)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1ccc(OC)cc1OC 4296988 DKMBSKXNNVIXPU-JJXUHFIVSA-N 432.904 3.336 0 1 IGAF COc1cc(C[C@H]2CO[C@@H](O)[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 13411715 PIYHDSUVUSVLGU-OBWXTZQISA-N 448.512 3.104 0 1 IGAF endogenous,in-man CCOc1cc(OC2CCN(C)CC2)cc([C@H](Nc2ccc(C(=N)N)cc2)C(=O)O)c1 14953304 OVMVSMLTWVJHCN-NRFANRHFSA-N 426.517 3.080 0 1 IGAF Cc1c(N2CC[C@](CN)(C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)O)cc(C3CC3)c12 27422543 DUJZHWAIAPRENU-LJQANCHMSA-N 427.398 3.040 0 1 IGAF CN(C(=O)CNC(=O)[C@@H](N)Cc1ccccc1)c1ccc(Cl)cc1C(=O)c1ccccc1 27865836 VDKALJALMRQMMZ-NRFANRHFSA-N 449.938 3.220 0 1 IGAF CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 40863662 KFTJUHRBTZLHBL-SFTDATJTSA-N 430.504 3.497 0 1 IGAF O=C(Nc1c2n(c(=O)n(Cc3ccc(F)cc3)c1=O)[C@H](c1ccccc1)CN2)c1ccco1 82224523 GEMFAOSNFXBEKN-SFHVURJKSA-N 446.438 3.058 0 1 IGAF COc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@H]2c2ccccc2)C3(C)C)n1 115990389 TYKQDKJFCWOZTG-XJKSGUPXSA-N 437.479 3.407 0 1 IGAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccc(F)cc4Cl)nc23)N1 205032416 PSUYQUFWOBTWBY-RZNTYIFUSA-N 427.827 3.020 0 1 IGAF COc1cnc2c(Nc3ccc(F)c([C@@]4(C(F)F)N=C(N)O[C@@H]5C[C@@H]54)c3)ncnc2c1 220654340 FFBACYABQQVGMT-PGICJIBASA-N 430.390 3.110 0 1 IGAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCCC[C@@H]3O)cc2F)cn1 224766171 ZQPHTXPTKFVEIA-ICSRJNTNSA-N 442.516 3.114 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nccc(OC[C@@H]4CC4(F)F)n3)C2)cc1 261133976 LRQNIWJIWKUFJN-UCLAIMLFSA-N 432.471 3.365 0 1 IGAF O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(CC3OCCO3)[nH]c2c1 586908264 MQIPYNGSDZWXPA-UHFFFAOYSA-N 427.404 3.298 0 1 IGAF NS(=O)(=O)c1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587183136 AXCRYZYQSJOCEL-UHFFFAOYSA-N 433.658 3.135 0 1 IGAF CCOC(=O)[C@@H]1c2ccccc2OC[C@]12c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N12 962662775 JFARUIBXYRYUDE-BYXVTNLJSA-N 446.503 3.268 0 1 IGAF O=C(NCCNC(=O)c1cccc([C@H]2NCCc3ccc(O)cc32)c1)OCc1ccccc1 963353466 ROOQKORUBCUIQB-XMMPIXPASA-N 445.519 3.284 0 1 IGAF Cc1nc([C@H]2C[C@H]2c2nc3ccccc3n2C)cc(-n2nc(C)nc2[C@@H](O)C(F)(F)F)n1 1772575545 AZVXNJWTMXGGSL-VEVIJQCQSA-N 443.433 3.428 0 1 IGAF CCn1ncc2cc3nc(c21)C[C@H](O)COC[C@H](c1ccc(Cl)c(F)c1)NC(=O)N3 1772585494 PQYHSBQWXCHMHJ-SUMWQHHRSA-N 433.871 3.040 0 1 IGAF O=C(COc1ccccc1Cl)Nc1cc(Cl)ccc1C(=O)NS(=O)(=O)C1CC1 1857548668 WKLHDZQIYQJTDR-UHFFFAOYSA-N 443.308 3.233 0 1 IGAF NC(=O)c1nc(-c2ccnc(NC(=O)C3CC3)c2)c(-c2cccc(OC(F)(F)F)c2)[nH]1 1857585694 ZUOGMOOYZHKZLK-UHFFFAOYSA-N 431.374 3.485 0 1 IGAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3CCC(=CC(=O)OCCN(C)C)[C@H](C)[C@@H]3[C@H](O)C[C@@H]12 2356413522 ZYHLLGTZEZUWFJ-YPWQKEFISA-N 435.605 3.430 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NC[C@@H](O)CC 770384 GCCKXHZULUTDDJ-JFJYTDJESA-N 426.513 3.463 0 1 IGAF CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(C)c1 1547315 SHEIQJGQDUYUBE-GOSISDBHSA-N 430.448 3.462 0 1 IGAF in-vivo COc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H]1CCCC[C@@H]1O 4043637 AKRZDCPMJAQCKN-DAVFGYKESA-N 437.540 3.273 0 1 IGAF O=C(Cc1ccccc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 95893799 DBXXTOOOPQPQGK-DXBVXKBHSA-N 426.516 3.174 0 1 IGAF O=C(c1ccc([18F])cc1)N1CCO[C@@H]2C[C@@H](O)[C@H](N3CCC(c4ccccc4)CC3)C[C@@H]21 101473828 PILVQYHTDSKTBX-HOCOZBSRSA-N 437.546 3.438 0 1 IGAF CCN(C(=O)c1nc(C)ccc1-c1ncccn1)[C@@H](C)Cn1nnc(-c2ccc(F)cc2)n1 210452797 IDUDPADEOMVUQR-INIZCTEOSA-N 446.490 3.190 0 1 IGAF CO[C@@H](C)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1 261136221 MBVXIDMKZKQKDD-UFYCRDLUSA-N 431.577 3.027 0 1 IGAF COC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C4=CC(=O)OC4)[C@H](O)C[C@]32O)C1 299810102 HLVMTJOTGLNNPR-JOBJXRNCSA-N 448.556 3.366 0 1 IGAF CCCCOc1cc2nc(CS(=O)(=O)Cc3ccnn3C)[nH]c2cc1Br 586922590 XDMAMZOVLBUGOJ-UHFFFAOYSA-N 441.351 3.353 0 1 IGAF O=C(N[C@H](Cc1nc2ccc(F)c(Br)c2[nH]1)C(=O)O)OCc1ccccc1 587204580 ZWLNNIGAZVIIMH-CYBMUJFWSA-N 436.237 3.387 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](CNC(=O)CCC(=O)O)(c1ccc(F)cc1F)CC2=O 587468602 YOZMLRJZPCXECM-QHCPKHFHSA-N 447.434 3.465 0 1 IGAF Cc1ccc2c(n1)N(C)C=C(C(=O)O)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587772867 XNRROCNFPPDNLK-GIPWTMENSA-N 432.293 3.488 0 1 IGAF CC[C@@H](c1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(c2cc(C)ccc2C)CC1 95566140 YLHTXDWJVYTSNI-FQEVSTJZSA-N 434.544 3.324 0 3 IGAF Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)OCc4ccc5ccccc5c4O3)O2)c(=O)[nH]c1=O 26726245 ZHKOLIRMRROCEX-CETKFACHSA-N 442.364 3.186 0 1 IGAF CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1ccc2ccccc2[n+]1C 28092664 KKDOMHGEPXZPPN-ZNTNEXAZSA-N 432.594 3.044 0 1 IGAF O=C(c1ccc(F)cc1F)N1CCN(c2ccc(OCCCN3CCCC3)cc2)C(=O)C1 28870265 DYKCULOUGOBIOM-UHFFFAOYSA-N 443.494 3.319 0 1 IGAF CCCCn1cnc2cccc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)[C@]2(O)CC 34324197 ZPXZKFJWQGEQLD-VWLOTQADSA-N 444.491 3.229 0 1 IGAF COC(=O)c1cc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc2n1-c1ccccn1 40764023 JPZHVTDTKHKWBU-UHFFFAOYSA-N 435.440 3.372 0 1 IGAF CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(-c3cnn(CC(C)(C)O)c3)cc1OCC2 68267048 QKZHALLNBLDACB-UHFFFAOYSA-N 433.516 3.416 0 1 IGAF NC[C@@H](Nc1ncnc2c(C(N)=O)cccc12)c1cccc(NC(=O)c2ccc(F)cc2)c1 114347002 UUKGDBLVFLHJLM-HXUWFJFHSA-N 444.470 3.232 0 1 IGAF CCNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F 169705152 HBVXJPFZRXJURB-UHFFFAOYSA-N 425.411 3.152 0 1 IGAF CO[C@]12C=C[C@]3(C[C@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@@H]2O5 169716266 RLFSNZBLDVZMLA-NTWMQFTKSA-N 435.564 3.308 0 1 IGAF Cc1nnc(C[C@H]2CC[C@H](c3ccc(N4CCOc5ncnc(N)c5C4=O)cc3)CC2)o1 261166903 SBCCKYGVKFCXND-WKILWMFISA-N 434.500 3.306 0 1 IGAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(F)cc5)CC4)[C@@H]3[C@@H](O)[C@@]21C 503967839 CCINPNZGQSKDQW-SGQGVKEISA-N 428.548 3.233 0 1 IGAF biogenic COC(=O)c1ccnc2[nH]c([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)nc12 586960075 MUJQCTXDCQMJTJ-OLMNPRSZSA-N 440.525 3.439 0 1 IGAF Clc1cnc(Br)c(-c2nc3cc(I)cnc3[nH]2)n1 587005876 XQAVTPHOMHDVJF-UHFFFAOYSA-N 436.438 3.435 0 1 IGAF COC(=O)c1cc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2cn1 587140868 TXAYCUVIVVCYDT-UHFFFAOYSA-N 444.419 3.491 0 1 IGAF COc1cc2c3c(c1)O[C@@]1(C=C(C(=O)O)Oc4ccc(Br)cc41)[C@@H](C2)C3=O 587419038 RKFIYJNLMUUXAQ-RNODOKPDSA-N 429.222 3.462 0 1 IGAF COc1cc2c3c(c1)O[C@]1(C[C@H](NC(=O)C(F)(F)F)c4cc5c(cc41)OCO5)[C@@H](C2)C3=O 587423819 ZMMGJIDCAMBIOQ-RXSFTSLZSA-N 447.365 3.190 0 1 IGAF NC(=O)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540400 OFEGJVVVDBPCKY-UWJYYQICSA-N 440.249 3.497 0 1 IGAF Cc1c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cnc2cc(C(=O)O)nn12 587587851 QFEOBNLFTUYSER-CVDCTZTESA-N 431.404 3.319 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CCN(c2ncccn2)CC1 587869837 PAVSQOJYNQBYOH-UHFFFAOYSA-N 432.406 3.319 0 1 IGAF COc1cc([C@H]2NCCc3c2c(C(C)C)nn3C)cc(I)c1OC 962917752 GKULHLCNYXDARR-QGZVFWFLSA-N 441.313 3.400 0 1 IGAF COc1ccc([C@@]2(C[C@H](C)CC(=O)O)N[C@H](C(=O)O)Cc3cccc(F)c32)cc1OC 962925650 WTVXOXNIKVQLMT-GJKYVBSNSA-N 431.460 3.186 0 1 IGAF N=c1ncc2cc(-c3c(Cl)cccc3-c3ccncc3)c(N3C[C@H]4[C@H](N)[C@H]4C3)nc2[nH]1 1857579656 GXYOTELGQMRTLW-YRWFTTLQSA-N 429.915 3.213 0 1 IGAF C[C@H]1CO[C@@H](c2ccc(=N)[nH]c2)CN1C[C@H]1C[C@@H]1CCNC(=O)c1cc2ccccc2[nH]1 1857581750 JQBHQHNVJCDNEL-SLHLXQHXSA-N 433.556 3.193 0 1 IGAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@@H](NCc2ccc(F)c(F)c2)C[C@H]1O 2356416692 BYFWZYIZSOUBFE-HTUUBCJYSA-N 443.469 3.251 0 1 IGAF COC(=O)[C@@H]1[C@H](OC(C)=O)CC[C@@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@@H]3C[C@H]21 2356501102 NTXLLYBCTDRDHP-AFTVAPCPSA-N 426.513 3.227 0 1 IGAF CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@@H](CC(=O)NCC2CCCCC2)C1 61922935 ZYDUEFNHVNDFTG-HXUWFJFHSA-N 435.609 3.100 0 3 IGAF O=C1c2c(F)cccc2[C@]2(CC(O)=NC2=O)C(=O)N1Cc1ccc(Br)cc1F 3776016 MLCWSDDOTVPFBJ-IBGZPJMESA-N 449.207 3.035 0 1 IGAF COc1cc(Nc2nccc(-c3ccc(N4CCN(C)CC4)nc3)n2)cc(OC)c1OC 3828776 DZXCKZAXROLRCF-UHFFFAOYSA-N 436.516 3.060 0 1 IGAF COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 4211464 ZJJUCJBBHZTDIR-SLYNCCJLSA-N 441.915 3.225 0 1 IGAF COc1cc(C[C@H](COC(C)=O)[C@@H](COC(C)=O)Cc2ccc(O)c(OC)c2)ccc1O 14694412 DZADNPBYQBBZIK-WOJBJXKFSA-N 446.496 3.259 0 1 IGAF biogenic CCCNC(=O)N1CC[C@@H]2[C@@H]1C(=O)N(c1cccc(F)c1)C(=O)N2Cc1cccs1 25229286 ZWATUTXZTUTUAC-QZTJIDSGSA-N 430.505 3.419 0 1 IGAF biogenic O[C@H](CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Cn1cnc2cccnc21 26576795 ZXRPJVVCWLHEHE-HSZRJFAPSA-N 427.552 3.199 0 1 IGAF CC(=O)Oc1ccc2c3c1O[C@H]1[C@H](SC(C)=O)CC[C@@H]4[C@@H](C2=O)N(CC2CC2)CC[C@@]341 29316660 DVVOAOYXYAUEEA-KVRVSPEQSA-N 441.549 3.350 0 1 IGAF NC(=O)c1ccc(Oc2cccc(CC(=O)O)c2)c(NS(=O)(=O)c2ccccc2)c1 45259768 MYRIXKLAPMTTFW-UHFFFAOYSA-N 426.450 3.006 0 1 IGAF CN1C(=O)[C@@](c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)(C2CCCCC2)N=C1N 45384191 SNQQSEHSNGCNKM-DEOSSOPVSA-N 434.496 3.230 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@H](C)[C@H](C)[C@@H]2O 71295057 RGJPPASWKJBDTJ-XJSVZPCESA-N 432.469 3.469 0 1 IGAF biogenic,in-vitro COc1cc(-c2nc3c(NCc4ccc(C)cc4)ncnc3n2CCNC(C)=O)ccc1O 82179107 FLNWUPAJUMKRFB-UHFFFAOYSA-N 446.511 3.264 0 1 IGAF COc1ccc(Cn2cnc3c4nc(=O)n(Cc5ccc(Cl)cc5)c-4ncnc32)cc1 95581997 MAHNNMJJLRBDIE-UHFFFAOYSA-N 432.871 3.246 0 1 IGAF CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CCC)[C@H](C)CO2 95691587 RPQYAYCERJLDHX-SVMVAKDDSA-N 448.608 3.434 0 1 IGAF Cc1ccc(-c2cc(N)c3nnc(C)n3n2)cc1NS(=O)(=O)c1cccc(Cl)c1 103297324 YDADYNYCPKASON-UHFFFAOYSA-N 428.905 3.445 0 1 IGAF COCCNc1nc(-c2ccc(C3CCN(C)CC3)c(F)c2)cc2ncn(C)c(=O)c12 115624094 JFRSBLZKSOEFEA-UHFFFAOYSA-N 425.508 3.002 0 1 IGAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCO[C@@H](C)C3)c2n1 224084364 QDRPODVXFWNFJS-HNNXBMFYSA-N 431.500 3.403 0 1 IGAF COC(=O)[C@@H]1[C@@H](OC(C)=O)CC[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]21 238777763 UEFILKPKYUBUOT-XYJCIVCISA-N 426.513 3.227 0 1 IGAF O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(-c2cnc(O)nc2O)c1 299838286 UKKCHLWQDVEFEM-UHFFFAOYSA-N 427.420 3.454 0 1 IGAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCC[C@@H](C(N)=O)C3)nc2-c2ccccc2)C1 299885681 VVBYMWNVXMWZDE-QWFCFKBJSA-N 435.572 3.496 0 1 IGAF O=S(=O)(O)c1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 586922325 SWUKDXVHCRJGLJ-UHFFFAOYSA-N 428.491 3.451 0 1 IGAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cc(Cl)cc(C)c3[nH]2)cc1 586940460 SGXYZUDAYFMWLM-SFHVURJKSA-N 446.960 3.475 0 1 IGAF COC(=O)COc1ccc(Br)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416529 CKFCOHNCEGTMFM-VLIAUNLRSA-N 433.254 3.498 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCN(S(=O)(=O)C3CC3)CC2)N1 587839357 GOIMAFCPFJFBKJ-BBATYDOGSA-N 431.371 3.368 0 1 IGAF COC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)[C@@H](O)C[C@]4(O)[C@@H]3CC[C@@H]2C1 1857579660 HLVMTJOTGLNNPR-HPOJAXLWSA-N 448.556 3.366 0 1 IGAF CO[C@@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@]3(C)CCC(=O)[C@](C)(CO)[C@H]3CC[C@@]12C 2356478129 UONFZXULJHDDCK-AAVKRADWSA-N 436.589 3.124 0 1 IGAF COc1cc(O)c([C@H](CC(=O)N2C[C@H](C)O[C@H](C)C2)c2ccc3c(c2)OCO3)c(OC)c1 95584598 PLNPXYQHYDMAGY-RVKKMQEKSA-N 443.496 3.296 0 3 IGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@@H]2C(=O)NC[C@H](O)CC)c1 4152401 XEYQPSSYQUXTHG-FHZYATBESA-N 426.513 3.463 0 1 IGAF CCCN[C@@H]1c2cc3c(cc2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]2C(=O)OC[C@H]12)OCO3 13473830 GTMOEUKISMBSGS-QWIYEXKTSA-N 441.480 3.114 0 1 IGAF C[C@H](C(=O)NCCc1ccccc1F)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 15954503 XCMPQTLSSNNAIQ-BZQUYTCOSA-N 448.498 3.090 0 1 IGAF biogenic CC(C)NC(=O)N1CC[C@H]2[C@H]1C(=O)N(c1cccc(F)c1)C(=O)N2Cc1cccs1 25229268 YGHJKTVSCUDRKX-ROUUACIJSA-N 430.505 3.417 0 1 IGAF biogenic CC(C)/C=C/C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CCCCC3)C2=N)cc1 28016813 QQPUEBHTYDZRNX-UWBBQJGQSA-N 446.617 3.131 0 1 IGAF COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(N3CCN(C)CC3)oc2c1 72180593 BEHRRRCMHAADPI-UHFFFAOYSA-N 440.496 3.450 0 1 IGAF CNC(=O)c1cnc(NC(=O)[C@@H](CC2CCCC2)c2ccc(S(C)(=O)=O)cc2)s1 95557533 ULDSCFMLAOPXCX-INIZCTEOSA-N 435.571 3.209 0 1 IGAF CCOC(=O)[C@@]1(C(=O)NCc2ccc(C)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95593122 RTVPASBYBBBJDN-UUOWRZLLSA-N 427.497 3.374 0 1 IGAF C[C@@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1CC1CCCCC1)c1ccccc1 95794884 TWDQSYAAPGNURU-MISTYSQASA-N 449.595 3.270 0 1 IGAF C[C@H](Oc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(Cl)cc3F)cc2)n1)C(N)=O 142386338 TZZDBEDTIJHZJP-JTQLQIEISA-N 430.823 3.080 0 1 IGAF Cc1sc(C(=O)N[C@@H]2CCCC[C@@H]2N)cc1-c1cnn2cc(-c3cnn(C)c3)cnc12 143667327 HZYWBSPIPUYOAD-RBUKOAKNSA-N 435.557 3.166 0 1 IGAF CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)[C@@H](C)NCCN3S(C)(=O)=O 149572549 IPKXOUYZNYYALY-GFCCVEGCSA-N 431.489 3.029 0 1 IGAF Cc1ccnc(-c2cccc(C[C@@H]3COCCN3C(=O)c3ccccc3-n3nccn3)c2)n1 205645855 WXVVKTBDFXUAHG-OAQYLSRUSA-N 440.507 3.116 0 1 IGAF COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(-c3ccc(C)s3)cc21 219015285 ZRXWWGFFIBXWQB-NVXWUHKLSA-N 428.602 3.051 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3c(C)cnc(Cl)c3[nH]2)C(C)C)cc1 586933190 NJPWLZVXRIKHDY-INIZCTEOSA-N 449.964 3.231 0 1 IGAF CNS(=O)(=O)c1cc(-c2nc3cc(Br)c(Br)cc3[nH]2)n(C)c1 586947612 WDPFYHSFUIQELY-UHFFFAOYSA-N 448.140 3.002 0 1 IGAF CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4cc(C(C)(C)C)ccc4[nH]3)cc2)CC1 586957184 QTTZQLZGTGMFPY-UHFFFAOYSA-N 440.569 3.380 0 1 IGAF COCCN1C(=O)CC[C@H](c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)[C@H]1c1ccccc1Cl 587061096 JLORRBVABDCIFI-XHDPSFHLSA-N 435.315 3.118 0 1 IGAF Ic1ccc(-c2nc3ncc[nH]c-3n2)cc1I 587179584 YIDFBASUGRACOR-UHFFFAOYSA-N 448.005 3.181 0 1 IGAF CC[C@@H](c1nc2cnc(C(F)(F)F)[nH]c-2n1)n1cc(I)c(C)n1 587185001 HVKDZFFKDHXAQC-VIFPVBQESA-N 436.179 3.432 0 1 IGAF COc1ccc(Cl)cc1[C@]1([C@H]2CCCN(C=O)C2=O)CC(=O)c2cc(C)cc(N)c2O1 587379968 ZIRFZNIICAPBFY-QMHKHESXSA-N 442.899 3.495 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc3c(c1)OCCO3)CC2=O 587494131 XHKDHCBQUFSBQF-DEOSSOPVSA-N 440.448 3.109 0 1 IGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C(=O)Nc1cc3c(cc12)OCCCO3 587591578 CWULOJQATWVXLJ-HYBUGGRVSA-N 431.400 3.363 0 1 IGAF O=C(c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)n1ncc2ccc(Cl)cc2c1=O 587652916 NZRBYPIZNWPBTE-UHFFFAOYSA-N 442.866 3.440 0 1 IGAF C/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21)NNC(N)=S 587703337 GNJUKHCXKKTRKN-IJOUGQKWSA-N 441.292 3.122 0 1 IGAF CNC(=O)COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587743545 OUZHVAQDAXSSCN-YBTHPKLGSA-N 437.309 3.345 0 1 IGAF COCCCNC(=O)c1cc([C@@]2(C3CC3)c3c(ccc(OC)c3OC)C[C@H](C)N2C)c[nH]1 962619854 GUKGJXMMOIRQNH-LMKMVOKYSA-N 441.572 3.328 0 1 IGAF CC(C)(N)CNC(=O)c1c[nH]ccc1=Nc1cc(-c2ccc(F)cc2F)[nH]c2nccc1-2 1857567950 YDOYKHYTXZRALP-UHFFFAOYSA-N 436.466 3.487 0 1 IGAF CC(=CCOc1cc(O)c2ccc(=O)oc2c1)CCC=C(C)C[C@@H](O)[C@H](O)C(C)(C)O 2356472108 LNNLNNPONQFENF-OFNKIYASSA-N 432.513 3.433 0 1 IGAF C/C(=C/C(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(=N)N)c1 13442345 LGNGQSDWPUDDDJ-SQFISAMPSA-N 434.521 3.327 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](O)[C@@](C)(O)[C@H](C)C2 15262622 RENKUVKNQJCSQP-HJHHKFSJSA-N 448.512 3.382 0 1 IGAF biogenic Cc1cc(OCc2cccnc2)c(C)c2c1CC[C@H]([C@H](C)C(=O)N1CCN(C)CC1)[C@H]2O 20504619 DZFGLQMZNYWQDW-QRJOEMBSSA-N 437.584 3.283 0 1 IGAF biogenic O=C(NCCCN1CCCC1)[C@@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085417 LSIVNMYCHCUGJM-IBGZPJMESA-N 427.574 3.093 0 1 IGAF CCCC(=O)c1c(O)cc(OC)c(C[C@@H]2C(=O)C(C)=C(O)[C@H](C(=O)CCC)[C@@H]2O)c1O 85506185 JZXQOYAYYXRIHN-DEWVYBRMSA-N 434.485 3.009 0 1 IGAF biogenic O=c1ccc2cccc(OC[C@@H](O)CN3CCC4(CC3)Cc3cc(Cl)ccc3O4)c2[nH]1 103235624 FUANJWPWEJESIA-IBGZPJMESA-N 440.927 3.391 0 1 IGAF CO[C@@H]1/C=C/C=C/C=C\C[C@@H](C[C@@H](C)O)OC(=O)/C=C\C=C/C=C\C[C@@H](O)C[C@@H](O)C1 169291029 RVOQCIAUFIYHFP-PAZXWNRBSA-N 432.557 3.317 0 1 IGAF CC(C)[C@H](CO)NCc1nc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)ccc1F 204414540 URLJSXYSSULYME-QFIPXVFZSA-N 435.565 3.169 0 1 IGAF N#Cc1c(-c2cccc(F)c2)c(C(N)=O)c2n1CCN(C(=O)NCCCC(F)(F)F)C2 223347506 WTERNLSBOUITQF-UHFFFAOYSA-N 437.397 3.132 0 1 IGAF CNS(=O)(=O)c1cc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)n(C)c1 586947269 LCKMJHITCYEHPF-UHFFFAOYSA-N 437.241 3.258 0 1 IGAF CCc1c(C)[nH]c2c1[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)[C@H](CN1CCOCC1)CC2 587442257 IALXNXISXNGDQK-ADLZZSLISA-N 436.552 3.432 0 1 IGAF CN(C)/C=C1/N(C(=O)C(F)(F)F)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587551347 ZWLCYGYXSRMRDI-PVKKJGRPSA-N 448.397 3.290 0 1 IGAF CC(=O)NC[C@H]1CN(c2ccc(N3CCC(Nc4ccccc4)CC3)c(F)c2)C(=O)O1 1857589117 QJKUAWZPXJQPCJ-FQEVSTJZSA-N 426.492 3.368 0 1 IGAF CN(C)c1ccc(C(=O)NC[C@H]2C[C@H]3CCN2C[C@H]3CN2CCc3ccccc3C2)cc1 2356297966 GNBYPYURLYHSMX-QIGHUWCUSA-N 432.612 3.251 0 1 IGAF COc1cc(C=C2C(=O)OC[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1O 2356505404 CZLLEPKEWJTTCK-HNNXBMFYSA-N 430.453 3.234 0 1 IGAF COC(=O)[C@]12CCCC3=C1[C@H](C[C@H](C)[C@@]31C[C@@H](c3ccoc3)OC1=O)O[C@@H]2OC(C)=O 2356645001 AZQXQJBTHHOQGP-CACUYGMXSA-N 430.453 3.222 0 1 IGAF CC(C)(C)NC(=O)[C@H](c1ccccn1)N(C(=O)[C@H]1CSC(=O)C1)c1ccccc1F 13086231 JZOPEMBVMHINIY-KUHUBIRLSA-N 429.517 3.489 0 3 IGAF COC(=O)Cc1c(/C=C/C(C)(C)n2cnc(CCN3C(=O)CCC3=O)c2)[nH]c2ccccc12 13219778 FYPKQWGFZJIQRS-ZRDIBKRKSA-N 448.523 3.220 0 1 IGAF O=C(O)c1cn(-c2ccc(F)cc2)c2cc(N3CCN4CCC[C@@H]3C4)c(F)cc2c1=O 13650327 SPUOYUDSUBQWPK-MRXNPFEDSA-N 425.435 3.252 0 1 IGAF CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@@H]1CNC[C@H](O)COc1cccc2[nH]ccc12 28528932 XEIJXVBJVUYOEK-YZIHRLCOSA-N 435.568 3.324 0 1 IGAF COc1nc2ccc(NC(=O)N3CCC[C@@H](C(=O)NC4CCCCC4)C3)cc2nc1OC 28702977 XZQGFDFLKKLIIQ-OAHLLOKOSA-N 441.532 3.340 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3C[C@@H]2CCN3c2ncc3cc(F)ccc3n2)c1 49069340 BRINWJIGTBMZEN-RBUKOAKNSA-N 443.486 3.151 0 1 IGAF CC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ncc(-c4cccs4)cn3)c2)[C@H](O)[C@@H](O)[C@@H]1O 64541167 QEZNJYBEBGCNCB-OSKXVONFSA-N 446.956 3.382 0 1 IGAF CCCC(=O)N1CCC2(CC1)CN(C(=O)C1CC1)[C@H](CO)c1[nH]c3cc(OC)ccc3c12 95667141 WWRYUGVENPLQIO-HXUWFJFHSA-N 439.556 3.122 0 1 IGAF CCCC(=O)N1CC2(C1)CN(Cc1nccs1)[C@@H](CO)c1[nH]c3cc(OC)ccc3c12 95793817 BCKFAECZBRPGJE-SFHVURJKSA-N 440.569 3.062 0 1 IGAF COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CCOCC2)[C@H](CO)N3C)cc1 95878419 JOIATRKTNHHHEU-IEZKXTBUSA-N 436.552 3.489 0 1 IGAF O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1)NCC1CCCCC1 95886084 LWYACWLHCWNNJE-UARRHKHWSA-N 448.579 3.022 0 1 IGAF COc1ccc(/C=C/C(=O)N[C@@H]2C=C[C@H]3[C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4C)[C@H]2O6)cc1 96932836 STRYOGIFBUYJDA-FIHBIKDHSA-N 444.531 3.044 0 1 IGAF CC[C@@]1(C)NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3F)cc(Cl)c2NC1=O 103298336 FKMUEAUWXYPTIX-GOSISDBHSA-N 443.859 3.270 0 1 IGAF O=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)N(CCO)CCO 145609895 PKMOKNVCGMFVNM-IBGZPJMESA-N 440.521 3.429 0 1 IGAF NC1=N[C@@](c2cc(NC3(c4ccc(Cl)cn4)COC3)ccc2F)(C(F)F)[C@H]2C[C@H]2O1 220652229 AKKPCSZTIFERLE-XBHMSOGKSA-N 438.837 3.406 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cc(-n3cccn3)ccc2C)c1 222118826 WOWXUSLEOFOYDZ-JOCHJYFZSA-N 442.523 3.154 0 1 IGAF COc1cc(-c2nnc3n2N[C@@H](c2ccco2)[C@H](C(=O)C2CC2)S3)cc(OC)c1OC 473171643 UGICZJVELBHEFY-QFBILLFUSA-N 442.497 3.302 0 1 IGAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc5c(cc4[nH]3)OCCO5)cccc12 586941213 GJKMNBYUPZUUIG-UHFFFAOYSA-N 438.509 3.032 0 1 IGAF NS(=O)(=O)c1ccc2nc(-c3ccccc3OCC(=O)Nc3ccccc3F)[nH]c2c1 587154510 RGXMTIRZXCYXEO-UHFFFAOYSA-N 440.456 3.034 0 1 IGAF CCOC(=O)[C@]1(CC(N)=O)CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587581000 UOHJPQWVVNPVQE-FOVJLYNBSA-N 439.464 3.092 0 1 IGAF CC(=O)CC(=O)NCCNC(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626940 ZWGUOCHKCUZZER-UHFFFAOYSA-N 437.340 3.339 0 1 IGAF CN1CCN(c2cccc([C@@H]3c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N34)c2)CC1 962661407 HXOJDOLMNIQYBG-BVAGGSTKSA-N 430.552 3.175 0 1 IGAF Nc1c([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)ccnc1Br 962710872 RTUJYFZCIQHZPP-YPMHNXCESA-N 434.187 3.273 0 1 IGAF Cc1cc2c(cc1O)[C@@]1(CCCc3ccc(I)cc31)N[C@H](C(=O)O)C2 963490607 LEACXIMUDCJBPS-PXNSSMCTSA-N 449.288 3.484 0 1 IGAF Cc1cc(-n2cc(S(C)(=O)=O)c3ccc(=N[C@@H](C)c4ccc(F)cc4F)[nH]c32)n[nH]1 1857560587 UGWBYFCYZUIYGV-LBPRGKRZSA-N 431.468 3.334 0 1 IGAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CC[C@H]5CNC[C@H]5C4)cc3)sc2n1 1857594876 ZWRGHSZEUDUVPU-ROUUACIJSA-N 435.597 3.205 0 1 IGAF 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443.569 3.451 0 1 IGAF CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OCCc1ccccn1 82082532 FGFOWBVFYSHLOS-FQEVSTJZSA-N 437.452 3.006 0 1 IGAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccco2)C1 82142330 ULGWTLORZDCUFJ-SJLPKXTDSA-N 425.533 3.056 0 1 IGAF CNC(=O)CN(C)CCOc1cc2c(Nc3cccc(Cl)c3F)ncnc2cc1OC 96911239 PHPRUZDQYDIXGT-UHFFFAOYSA-N 447.898 3.231 0 1 IGAF CC(C)(O)Cn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccccc21 147823829 YZFKKVXSJMMERN-UHFFFAOYSA-N 431.496 3.148 0 1 IGAF CC1=Nc2ccnn2[C@H](c2ccc(Cl)c(Cl)c2)[C@H]1C(=O)N1CCC[C@H]1c1nnn[nH]1 169722964 OOADVIIECQPAAP-BHYGNILZSA-N 445.314 3.378 0 1 IGAF O[C@@H]1CCN(Cc2ccc(Br)cc2)C[C@H]1N1CCN(c2ccccc2)CC1 253639018 MLPKOPXBTFTBAZ-FGZHOGPDSA-N 430.390 3.207 0 1 IGAF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12NC[C@@H](CO)C[C@@H]2O 255208462 DWHZMCMBSAKZFV-QFJXAUAASA-N 445.644 3.230 0 1 IGAF CO[C@H](C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1)C(C)C 261116426 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COc1cc2nc(NCCCN3CCN(C)CC3)nc(NC3CCCCC3)c2cc1OC 82124953 WQPYNAKMTBOYCN-UHFFFAOYSA-N 442.608 3.441 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(C)CC1 95865086 PREBDFYCWRDAAI-NRFANRHFSA-N 437.515 3.468 0 1 IGAF O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCCC2)[C@H](CO)O1)c1cc(Cl)cc(Cl)c1 95903441 BEXHONHOIJOFFZ-OTWHNJEPSA-N 443.371 3.328 0 1 IGAF Cc1n[nH]c2c(C)cc(C(=O)N3CCC4(CC3)Cc3cnn(C(C)(C)C)c3C(=O)N4)cc12 96283385 NMQRSNGVNQRDDW-UHFFFAOYSA-N 434.544 3.092 0 1 IGAF COc1ccc([C@H](CO)Nc2nc(Nc3cc(C(C)(C)C)n(C)n3)c3c[nH]nc3n2)cc1 169702573 CPFBIUZSNDQYBB-INIZCTEOSA-N 436.520 3.282 0 1 IGAF CS(=O)(=O)N1CCC(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)CC1 212128005 BBYMHZHTODTPDK-UHFFFAOYSA-N 434.537 3.183 0 1 IGAF C[C@@H]1C=CNC(n2nnc3c2CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)[C@@H]3C)=N1 226012773 FUXFJFICKFOAPF-GHMZBOCLSA-N 438.841 3.419 0 1 IGAF Cc1cc(N2C(=O)c3nn(C4CNC4)c(C)c3[C@@H]2c2ccc(Cl)cc2)cn2c(C)nnc12 261114312 IMUJKGKBDBVTGZ-NRFANRHFSA-N 447.930 3.399 0 1 IGAF COCCOC[C@@H](NC(=O)Nc1cc2[nH]nc(-c3cc(C)on3)c2cn1)c1ccccc1 261187269 XVWNQFKUWSGJNR-LJQANCHMSA-N 436.472 3.447 0 1 IGAF O=S(=O)(Nc1ccsc1-c1nc2ccc(-n3cnnn3)cc2[nH]1)c1ccc(F)cc1 587169829 BGHPPFTUTZWDJK-UHFFFAOYSA-N 441.473 3.207 0 1 IGAF COC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccc(Br)cc1 587648554 IHZOIPITPCZVDX-UHFFFAOYSA-N 436.283 3.352 0 1 IGAF Cn1c(SCCCN2C[C@H]3CCN(c4ccccc4F)[C@H]3C2)nnc1-c1cnccn1 653728043 JRIJSUZYSFOPFI-UZLBHIALSA-N 439.564 3.104 0 1 IGAF Cc1cccc(C)c1[C@]1(c2ccc(C3OCCO3)cc2)N[C@H](C(=O)O)Cc2c1nn(C)c2C 962704948 DYXOQSHJDFNQPM-LVXARBLLSA-N 447.535 3.282 0 1 IGAF CC(C)(C)n1cc([C@]2(C(=O)O)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cn1 963171838 CDVLQEHQONMBNO-KDOFPFPSSA-N 445.825 3.237 0 1 IGAF COc1ccc([C@@H](O)[C@@]2(c3ccc(OC)cc3)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1 963552213 OTTOEDHYNSHDAS-FBILRYNDSA-N 449.503 3.294 0 1 IGAF CC(=O)NCCN(Cc1ccccc1)C(=O)c1nn(C)c2c1COc1ccc(Cl)cc1-2 1857604994 CBMHPXMRCSOEGI-UHFFFAOYSA-N 438.915 3.411 0 1 IGAF COc1cc([C@]2(C)NC(=O)N(CC(=O)c3ccc(F)cc3F)C2=O)ccc1OC(F)F 1857610564 FFFZDZHWLBGXLM-FQEVSTJZSA-N 440.349 3.225 0 1 IGAF FC(F)c1ccnc(-c2nc(=N[C@@H]3CCC(F)(F)C3)[nH]c(=N[C@H]3CCC(F)(F)C3)[nH]2)n1 1857764835 QHLSBPRKCLATLW-AOOOYVTPSA-N 447.387 3.309 0 1 IGAF CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@](C)(O)[C@](C)(C=CC2=CC(=O)OC2)[C@H]2CCC=C(C)[C@@]12C 2356743671 VQWPROISONEVNZ-KAJOGEKBSA-N 432.513 3.023 0 1 IGAF CN(CCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1)Cc1ccccc1 3670358 NGXRLEJZSULCKG-RUZDIDTESA-N 430.508 3.132 0 3 IGAF Cc1cc(C)c2nc(N3CCC(C(=O)N4CCN(c5ncccn5)CC4)CC3)sc2c1 4034603 CDQJUARHGJYSLG-UHFFFAOYSA-N 436.585 3.268 0 3 IGAF Cc1ccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3nnc(C)c-3c2N)cc1Cl 101507914 DYYONNGWKZZPJD-AWEZNQCLSA-N 446.964 3.007 0 3 IGAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@H]1C(c2ccc(N(C)C)cc2)=NO[C@H]1c1ccccc1OC 4045171 ZSKGJGGEKNTERH-WZFNVOLPSA-N 439.556 3.376 0 1 IGAF CCN(CC)C(=O)[C@@H]1CCCN(C(=O)CC[C@]2(Cc3ccc(Cl)cc3)CCC(=O)N2)C1 11783526 IMCMYMXMRPKPPZ-DVECYGJZSA-N 448.007 3.419 0 1 IGAF COc1cccc(CN2C[C@@]34C[C@@H](c5ccc(C(C)=O)cc5)[C@@H](C[C@@H]3S2(=O)=O)O4)c1 13830753 ADNNVBDJEBAWRS-BJESRGMDSA-N 427.522 3.127 0 1 IGAF C[C@@H](C[S@](=O)C(=O)c1ccccc1)C(=O)N1C[C@@H](Sc2ccccc2)C[C@H]1C(=O)O 33975046 HCPQVVBXSZHBSL-AKRPVIETSA-N 445.562 3.058 0 1 IGAF in-vivo COC(=O)/N=c1/[nH]c2ccc([C@]3(O)c4ccccc4C(=O)N3Cc3cccc(F)c3)cc2[nH]1 38210656 RAIVIGVXSCZRFF-DEOSSOPVSA-N 446.438 3.152 0 1 IGAF Cc1ncc(-c2ccnc(Nc3ccc(C(=O)NCCN(C)C)c(F)c3)n2)n1C(C)C 40846009 CNSXYUZUUPJMQL-UHFFFAOYSA-N 425.512 3.404 0 1 IGAF O=C(NC[C@@H](O)c1ccccc1)c1ccc(N2CCC(C(=O)c3ccccc3)CC2)nn1 45337446 IDPZZOYWDBJFMQ-JOCHJYFZSA-N 430.508 3.039 0 1 IGAF COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@H](C(C)C)N3)c1 82206331 VUNHRRZBCHZDDL-HXUWFJFHSA-N 438.503 3.268 0 1 IGAF C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCCCc3ccccc3)CC2)cc1 84739098 WOFVKXAEDONAOH-UHFFFAOYSA-N 427.570 3.140 0 1 IGAF OC12C[C@H]3C[C@H](C1)CC(Nc1nc(N[C@H]4CC[C@H](O)CC4)ncc1Br)(C3)C2 101450608 FGYLHONNVFJRIG-USYNBTAQSA-N 437.382 3.450 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)O)n1)c1nc(-c2ccc(Cl)cc2)no1 221663454 HUKBLSVUBDBPMC-COPLHBTASA-N 430.852 3.059 0 1 IGAF CCN(C)S(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c(F)c1 299860618 JLIADOPNPNQIHY-UHFFFAOYSA-N 428.848 3.334 0 1 IGAF COC(=O)C1=C2CCCCCN2C(=O)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587589462 OYMZWNFBCBRQOH-OFVILXPXSA-N 449.459 3.326 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CC(=O)c2ccnn2C)(c2ccnn2C)N1 587758771 JMGIMMXYXNRSDZ-ODXCJYRJSA-N 446.324 3.106 0 1 IGAF C[C@H](C[C@@]1(c2cccc(CO)c2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21)C(=O)O 962659279 DZEQUYTVWVSNIF-MYFBNQOLSA-N 448.519 3.180 0 1 IGAF NS(=O)(=O)c1ccc(-n2nnc(C(=O)c3ccc4ccccc4c3)c2C(F)(F)F)cc1 1857749136 RZVJOWTWCDOOAH-UHFFFAOYSA-N 446.410 3.318 0 1 IGAF Cc1cc(OCc2nnc(S(=O)(=O)Cc3ccccc3)o2)cc2oc(=O)cc(C)c12 1857775334 JJZUNPGBQRHTET-UHFFFAOYSA-N 426.450 3.346 0 1 IGAF CC1=C[C@H](CNC(=O)COCC(=O)O)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 2356286639 JRDAHUAIZVVCGE-OTWHNJEPSA-N 427.545 3.188 0 1 IGAF CCO[C@H]1O[C@@H](OCC)[C@H](O)[C@@]1(O)CC[C@@]1(C)[C@@H]2CCC=C(C(=O)O)[C@@]2(C)CC[C@H]1C 2356486210 JFCPPPHVVNHFMB-FWSRPRDDSA-N 440.577 3.478 0 1 IGAF COc1ccc(S(=O)(=O)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)cc1 1324424 RYHSAXRBHDHPPK-UHFFFAOYSA-N 432.454 3.359 0 3 IGAF COC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCNC1CCCC1 61943358 OJWVOAFAJJRURI-ZDUSSCGKSA-N 437.389 3.219 0 3 IGAF COCCCN1C(=O)C(=O)[C@@H](C(=O)c2ccc(C)o2)[C@@H]1c1cccc(Br)c1 2996365 DYGAMMHZBMNKAE-SJORKVTESA-N 434.286 3.339 0 1 IGAF N#Cc1ccc(C(=O)N2CCN3C(=O)c4cc(-c5ccccc5)ccc4NC(=O)[C@H]3C2)cc1 25209782 HLFXJLXIWVASST-HSZRJFAPSA-N 436.471 3.144 0 1 IGAF biogenic O=C(Nc1ccc(C[C@@H](CO)NC[C@H](O)COc2ccccc2)cc1)NC1CCCCC1 28357438 YDZLVMCOHQCQRG-GOTSBHOMSA-N 441.572 3.074 0 1 IGAF CC(=O)Nc1cccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)c1 36351913 QNCNYSGUYPUZKJ-UHFFFAOYSA-N 437.471 3.285 0 1 IGAF Cc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NCCCOC(C)C)cc3)n2)n1C 40943310 YDAZSMGTKCIGJO-UHFFFAOYSA-N 444.561 3.023 0 1 IGAF C[C@H](Nc1nc(N)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1)C12CC3CC(CC(C3)C1)C2 45245772 MGDUJCIFDFSDIF-NRQAYCQOSA-N 436.560 3.092 0 1 IGAF O=C(Nc1cccnc1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1 45287892 QDVKRHSEGADNGG-SFHVURJKSA-N 429.488 3.076 0 1 IGAF CCOC(=O)[C@@H]1CS[C@@]2(C(=O)Nc3ccccc32)N1C(=O)Cc1ccc(Cl)cc1 96909013 HVQKRUOQDUJPPS-UWJYYQICSA-N 430.913 3.195 0 1 IGAF Cc1c(C(=O)N2CCN(C)CC2)[nH]c2ccc(Nc3nccc(-c4ccccn4)n3)cc12 144257993 MQSYEBRMFOYTFZ-UHFFFAOYSA-N 427.512 3.460 0 1 IGAF CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cc(OCCCO)ccn4)n3)ccc2[nH]1 145301421 JOKIIJFGFPTJGO-UHFFFAOYSA-N 432.484 3.227 0 1 IGAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4C[C@H](C(F)(F)F)OCC4(C)C)ccc23)cn1 221605870 FBRYAVAHAIEOJM-LJQANCHMSA-N 447.461 3.276 0 1 IGAF O=C(Nc1ccc2c(c1)C=CS(=O)(=O)O2)c1ccccc1I 299852169 OLQGNUICXQMICD-UHFFFAOYSA-N 427.219 3.236 0 1 IGAF CCCCNS(=O)(=O)c1ccc2nc(Cc3cccc(S(=O)(=O)CC)c3)[nH]c2c1 586922055 PJOYBFMFVWMBHO-UHFFFAOYSA-N 435.571 3.026 0 1 IGAF CCn1ncc([C@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587579253 CXNVNOYEGUSGBO-DHLKQENFSA-N 449.507 3.106 0 1 IGAF CCOC(=O)CC[C@@]1(CC(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587599333 WTRRSKPMODHAGK-REWPJTCUSA-N 428.437 3.389 0 1 IGAF COc1cccc(C[C@@]2(C(=O)O)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963189028 VMOSKVXTGFNPCG-AUUYWEPGSA-N 443.805 3.489 0 1 IGAF COc1cc2c(N3CCN(C(=O)C(C)C)CC3)nc(N(C)C)nc2cc1OC1CCCC1 1857651314 AAZREGUXNKTUBP-UHFFFAOYSA-N 441.576 3.330 0 1 IGAF CN(CCc1ccccn1)CC[C@@H]1CN(C(=O)NC2CCCCC2)CC[C@H]1CC(=O)O 2356715146 DCJZFUJFLMLBRN-VQTJNVASSA-N 430.593 3.401 0 1 IGAF O[C@@H]1[C@H](NCc2ccc(OC(F)(F)F)cc2)[C@H]2CO[C@@H](O2)[C@H]1Sc1ccccc1 2356843267 NKDUGCIXJWXTPJ-QQXKLLMISA-N 427.444 3.320 0 1 IGAF COC(=O)[C@@]12CCCCN1[C@H](c1ccc(-c3ccc(OC)cc3)cc1)[C@@H]1C(=O)N(C)C(=O)[C@@H]12 36386464 RSRRGCZHLBYBFX-BILGYAHESA-N 448.519 3.046 0 3 IGAF CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NCc2cccs2)C(=O)N1Cc1ccc(F)cc1 95600242 WFDVSVFZJXOZLS-KRWDZBQOSA-N 443.544 3.304 0 3 IGAF CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3ccccc3)cc1)N1CCCC[C@@]21C(=O)OC 102691243 NDRABLCEBRWUEQ-BILGYAHESA-N 432.520 3.427 0 3 IGAF COc1ccc(NC(=O)c2ccc3c(=O)n(C[C@H]4CCCO4)c(S)nc3c2)c(OC)c1 3631971 GALXMHNCUFRQJX-OAHLLOKOSA-N 441.509 3.134 0 1 IGAF COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1OC 14437771 BFDODNWEBMWJIS-CVEARBPZSA-N 430.453 3.024 0 1 IGAF endogenous,in-man Brc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)cc23)c1 21289107 BGPOQKXCTILWFE-UHFFFAOYSA-N 429.322 3.275 0 1 IGAF COc1ccc(Br)cc1C1=NCC[C@H](CN2CCN(c3ccccc3)CC2)N1 22927169 RVBVZFLMCDGFOZ-GOSISDBHSA-N 443.389 3.388 0 1 IGAF C/C(=C\c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1)C(=O)N(CC(=O)O)C1CCCC1 27520095 RIZYHNFRDUFGMK-JQIJEIRASA-N 449.507 3.449 0 1 IGAF O=C1Nc2ccc(-c3ncn[nH]3)cc2[C@](CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 45318430 BCROMGAPCJALQM-GOSISDBHSA-N 435.337 3.361 0 1 IGAF CCc1[nH]c2nc(Sc3cnc4ccc[n+]([O-])c4c3)nc(N3CC[C@@H](N)C3)c2c1Cl 72316854 UIZFNZSXBOVZDP-LLVKDONJSA-N 441.948 3.044 0 1 IGAF Cc1csc([C@@](C)(O)c2nnc(Nc3ncn(Cc4c(F)cccc4F)n3)s2)n1 103283796 CHHHEJNQMGBWRA-QGZVFWFLSA-N 435.485 3.220 0 1 IGAF OC[C@H]1CN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CCN1 117691199 AEGFSPXXRDTWHN-MRXNPFEDSA-N 444.543 3.004 0 1 IGAF CNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4ccc(Cl)cc4F)C3)n2)c1 118709734 BIFFPIFNROYLPJ-UHFFFAOYSA-N 428.855 3.035 0 1 IGAF COc1ccc(COc2cnn(CC(=O)c3ccc([C@@H](C)N(C)C)cc3C)c(=O)c2)nc1 169711367 MNQKCAWRZKCUFW-QGZVFWFLSA-N 436.512 3.040 0 1 IGAF COc1cc(C(=O)O[C@@H](c2cc(O)c(OC)c(OC)c2)[C@H](C)C(C)=O)cc(O)c1OC 299832556 PSSDXMGMXAKRMM-NSPYISDASA-N 434.441 3.255 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC23CN(C(=O)OC(C)(C)C)C3)N1 587771963 HDYONPYEXHMEPN-WYRIXSBYSA-N 427.314 3.337 0 1 IGAF COc1c2c(c(OC)c3occc13)OC(C(=O)O)=C[C@]21NCCc2c1c(C(C)C)nn2C 962922402 WTJQNPXCJUCYEZ-HSZRJFAPSA-N 439.468 3.057 0 1 IGAF C[C@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4ncsc4C3)c2cn1)c1ccccc1 1772605350 YBHIXJVAXABNNY-RNODOKPDSA-N 449.540 3.221 0 1 IGAF Cc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncccn1 1772628222 RDSLXYSTWOTMMZ-HXUWFJFHSA-N 440.507 3.116 0 1 IGAF Cn1cc(-c2cc3c(-c4cc(N5CC[C@H](n6cccn6)C5)ncn4)n[nH]c3cc2F)cn1 1772636171 WNRRRXKXPGQLGS-HNNXBMFYSA-N 429.463 3.207 0 1 IGAF CC1=C(C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](O)C=C[C@H](C)C(=O)[C@H](C)CC=C[C@H]3[C@@H]1O 2356335902 GTEZBGQXBNUKSD-LIABVXNKSA-N 449.591 3.376 0 1 IGAF Cc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)nc1 6578091 DUIMGTGBWZMHBB-UHFFFAOYSA-N 428.514 3.446 0 3 IGAF O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccccc1)NC[C@@H]1CCCO1 9416307 BPNJCYHLGCGXFM-INIZCTEOSA-N 434.521 3.254 0 3 IGAF C[C@H](NC(=O)c1[nH]cnc1C(=O)NCCCCCNC(=O)OC(C)(C)C)c1ccccc1 36388107 DNPUXVLTCAUWNA-INIZCTEOSA-N 443.548 3.326 0 3 IGAF CC(C)(C)c1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)Cc2cccs2)cc1 61897441 NXDRGSUVBCTTLW-OAQYLSRUSA-N 434.583 3.084 0 3 IGAF CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@H](CC(=O)NCC2CCCCC2)C1 61922933 ZYDUEFNHVNDFTG-FQEVSTJZSA-N 435.609 3.100 0 3 IGAF CCN1CCN(c2cc(C)c3cc(NC(=O)[C@H]4COc5ccccc5O4)ccc3n2)CC1 3649948 CDPXXQUFYCHMLK-HSZRJFAPSA-N 432.524 3.464 0 1 IGAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4Nc5c(cnn5S(C)(=O)=O)C[C@]4(C)[C@H]3CC[C@]12C 6004515 KBNGFJCZEJFHKW-MEOCLINRSA-N 435.590 3.202 0 1 IGAF O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1c1c(O)cc(O)c2c(=O)ccoc12 13480339 WNBLZPGLZHQKPS-JTHBVZDNSA-N 448.383 3.421 0 1 IGAF endogenous,in-man CCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)c1c[nH]c2ccc(Br)cc12 26500076 VPOBJMVQYLVDFZ-SFHVURJKSA-N 443.297 3.404 0 1 IGAF C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1 43201057 SNCRCEGCQVMUBS-DNVCBOLYSA-N 429.528 3.413 0 1 IGAF in-vivo O=C(NCCNC(=O)c1cn(-c2ccccc2)nc1C(F)(F)F)c1ccc(Cl)cn1 49114624 KDQAPKJRHLBWJB-UHFFFAOYSA-N 437.809 3.099 0 1 IGAF COc1cc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)COC(C)=O)cc(OC)c1OC 64373191 LSUNDYSUIHSGPK-LJQANCHMSA-N 426.469 3.262 0 1 IGAF C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12NC[C@@H](CO)C[C@@H]2O 64503779 FBKQAVWTYDQPAB-FOWFDDMESA-N 447.660 3.310 0 1 IGAF CN(C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)C1CCN(Cc2ccccc2)CC1 66260024 DBKKWYIWYDMXMI-XMMPIXPASA-N 441.526 3.041 0 1 IGAF CCc1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)OCCc2ccccn2)cs1 82074667 ZCMSCUHYRFRTJE-LJQANCHMSA-N 439.537 3.202 0 1 IGAF O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CCCC1 101584725 VMTZDIHMLVWUQZ-BTSNSFGPSA-N 426.561 3.004 0 1 IGAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\[C@H]3O[C@H]3CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 101708906 MSHYYZSYRGWFES-DYRPPDDVSA-N 437.558 3.071 0 1 IGAF CCC(CC)(NC(=O)c1cc(OCC2(C)COC2)c(C2CC2)cn1)C(=O)NCCCF 146604562 HFOKCAPLWDRNGS-UHFFFAOYSA-N 435.540 3.139 0 1 IGAF C[C@H](O)Cn1c2cnccc2c2cnc(Nc3ccc(N4CCC(N(C)C)CC4)cn3)nc21 169706870 GLEPOVWXFFRWSW-INIZCTEOSA-N 446.559 3.029 0 1 IGAF CC1(C)c2cc(Cl)ccc2C(=O)N1c1cncc([C@H]2CCCN(S(C)(=O)=O)C2)n1 224017344 ZXYVATMRKYIVRV-ZDUSSCGKSA-N 434.949 3.165 0 1 IGAF CCOC(=O)Cc1ccc2nc([C@H](C)n3ncc(I)c3C)[nH]c2c1 587182853 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3.004 0 1 IGAF CC[C@H](C)[C@@H]1O[C@H](C=CC=CC(=O)O)[C@H](O)[C@@]2(O)[C@@H](C(C)=C[C@H]3CC(C)=CC[C@H]32)[C@@]1(C)O 2356719390 WQAFDIKVNMLDOJ-CGCUWGPUSA-N 446.584 3.389 0 1 IGAF CCOc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2ccc(F)c(F)c2)CCO1 27706215 RGVOBYIBFIHUJF-CQSZACIVSA-N 439.890 3.230 0 1 IGAF CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c(O)c2ccsc21 34271258 CRKLSNXPPOSLRY-UHFFFAOYSA-N 433.511 3.081 0 1 IGAF CC(C)Cn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(F)c4)c3)nc2n(CC(C)C)c1=O 36124075 JFDKUGGNCNTTKG-UHFFFAOYSA-N 438.507 3.249 0 1 IGAF O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1cccc(F)c1 43130886 ILPCNFQONRTMBO-UHFFFAOYSA-N 449.526 3.458 0 1 IGAF CC(C)Oc1ccc2c(-c3ccnc(Nc4ccc(N5CCN(C)CC5)cc4)n3)cnn2n1 53182615 AJLPDJZYNSSQJO-UHFFFAOYSA-N 444.543 3.469 0 1 IGAF CC(C)S(=O)(=O)NC1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72185111 ZRYWVKVXIDTJOI-LJQANCHMSA-N 442.507 3.377 0 1 IGAF O=C(c1nc2ccccn2c1Br)N1CCN(CCc2ccc(F)cc2F)CC1 73312536 KHDIEEMYOOATFJ-UHFFFAOYSA-N 449.299 3.376 0 1 IGAF CC(C)(C)c1nc2cc(S(=O)(=O)CC3CC3)ccc2n1CC1CCS(=O)(=O)CC1 82155967 WYOQPSLZYOPQBI-UHFFFAOYSA-N 438.615 3.342 0 1 IGAF O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCC[C@H]2O)nc1C1CCCC1 95576359 YKQCVLCYKQLBRQ-GDTJXYIOSA-N 440.588 3.129 0 1 IGAF O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 95866290 FBOQZBKGMGNFKB-XFAFFCHDSA-N 444.506 3.233 0 1 IGAF O=C(COc1ccccc1)N[C@@H]1C[C@H]2CN(c3ccc(OC(F)(F)F)cc3)C(=O)N2C1 96168547 KIELZJCNGGHZLE-ZBFHGGJFSA-N 435.402 3.163 0 1 IGAF C[C@]1(C(=O)Nc2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nc23)CCCN1 118399433 IVFCHFIJSORBPC-XMSQKQJNSA-N 426.471 3.430 0 1 IGAF Cn1cc(-c2cc(C(=O)NCCCCO)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144810697 YCLOHZBFSRPZLT-QFIPXVFZSA-N 445.441 3.368 0 1 IGAF C[C@@H](c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccccc1C(F)(F)F 587097870 LFOMHACZCJPMIJ-OAHLLOKOSA-N 446.473 3.484 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352326 WXPOBNPFLGWAGJ-JPYJTQIMSA-N 430.428 3.391 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@@]1(CC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594720 HZVMKVPTFCVZNN-HXOBKFHXSA-N 428.437 3.245 0 1 IGAF CCOc1cc(CC(C)=O)c(OCC)n1-c1ccc(C(=O)OC)cc1O[C@H]1CCOC1 587925721 SVRIBFBZYWSSHM-SFHVURJKSA-N 431.485 3.361 0 1 IGAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587928135 WSSGQZXYLVFGIR-KRWDZBQOSA-N 445.541 3.143 0 1 IGAF C[C@H](NC(=O)[C@@H]1C[C@@H]2C(=O)CC(C)(C)C[C@@H]2NC1=O)c1noc(-c2ccc(Cl)cc2)n1 618014597 HOMMZIGEHJGCKC-DDWPSWQVSA-N 444.919 3.077 0 1 IGAF COc1ccc(C2=NN(C(N)=S)[C@H](c3cc4ccccc4nc3N3CCOCC3)C2)cc1 653721736 JDBXUIMLGZDLFJ-QFIPXVFZSA-N 447.564 3.475 0 1 IGAF C[C@H](NC(=O)CO)c1ccc(CN2CCc3cc(OC[C@@H]4CC4(F)F)ccc3C2)cc1 1772644151 XAPOHPRIIAHNMP-KKSFZXQISA-N 430.495 3.448 0 1 IGAF COCCNCCC(=O)Nc1sc2c(c1-c1nc3c(OC)cccc3s1)CCNC2 1857612202 WRQOKWDDNOYARY-UHFFFAOYSA-N 446.598 3.244 0 1 IGAF COC[C@@H]1CCCN1C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 2356286402 RAJQQJRACXRLIA-IZZBFERCSA-N 439.522 3.256 0 1 IGAF CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)c1ccccc1)C(=O)OC(C)(C)C 13657130 SMGGCGRBKDJWAW-RDJZCZTQSA-N 428.533 3.387 0 3 IGAF C[C@]1(C(=O)NS(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)Cc1ccccc1Cl 61905136 MJMDZJFUETUSRU-QGZVFWFLSA-N 447.365 3.094 0 3 IGAF CC(=O)Nc1ccc(Oc2cccc(CCNC[C@H](O)c3cccnc3)c2)cc1C(=O)O 40422394 CFZYEDWPJIKRMN-QHCPKHFHSA-N 435.480 3.396 0 1 IGAF NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1ccccc1Cl 40895025 MYXKEHCGDSUXDH-UHFFFAOYSA-N 438.919 3.421 0 1 IGAF CC(=O)S[C@H](C(=O)N[C@H]1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)[C@H]2C1=O)C(C)C 72190160 RNXWIPULSBRWKV-AGRFSFNASA-N 431.554 3.185 0 1 IGAF investigational CCCCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(CCCOC)nn3CC(F)(F)F)C1 82196326 RTWROTVMIBXCSA-UHFFFAOYSA-N 442.482 3.331 0 1 IGAF C[C@@]1(O)CCC[C@@H]2c3c(cc4oc(CO)c(CCCO)c(=O)c4c3OC3CCCC3)O[C@@H]21 85594437 WGEFIJKSAZPEFZ-VFRFXQOFSA-N 444.524 3.311 0 1 IGAF biogenic,in-vitro CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccc(F)cc3)ccc2OC[C@H](C)NC[C@@H]1C 95690650 NMVKSNPKIBDAFP-WCJKSRRJSA-N 443.519 3.172 0 1 IGAF CCCN(C)C[C@@H]1Oc2ncc(-c3ccccc3OC)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95726437 QVNCVFKAODAXPC-IXFSTUDKSA-N 441.572 3.319 0 1 IGAF CCN1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)Nc1ccccc1)[C@@H]2CO 95795548 MPMAPNYDNPYUMP-AZOUXBGGSA-N 447.510 3.277 0 1 IGAF CO[C@@H](CN(C)Cc1ccc2c(c1)OCO2)[C@@H](C)CN(C(=O)c1ccccc1)[C@H](C)CO 95898976 RDQYWFNTQPCNSM-GLDPYIMESA-N 442.556 3.021 0 1 IGAF Cc1nc(N2C[C@H]3CN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@H]3C2)nc(C)c1C 116823941 RIMXBFLZUOUWGP-HDICACEKSA-N 432.503 3.206 0 1 IGAF C[C@@H]1NC(=O)Nc2nc3c([C@H]4CCCO4)c(F)c(-c4cnc(C(C)(C)O)nc4)cc3n21 299841208 YOXQVEBSLWPXDH-QMTHXVAHSA-N 426.452 3.365 0 1 IGAF NC1CCN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)CC1 473145944 BWNUENBNVNGXFO-UHFFFAOYSA-N 431.340 3.483 0 1 IGAF COc1cc2[nH]c(-c3ccc(CNS(=O)(=O)c4ccc(C(C)=O)cc4)cc3)nc2cn1 586945150 YYGXTVIKVHQVMU-UHFFFAOYSA-N 436.493 3.315 0 1 IGAF COc1ccc(NS(=O)(=O)c2ccc3nc(-c4cc(N)cc(C(=O)O)c4)[nH]c3c2)cc1 587251756 MYUNPSIAGNMHTK-UHFFFAOYSA-N 438.465 3.320 0 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CCCN(C)C[C@@H]1Oc2ncc(-c3cccc(OC)c3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95717208 VSCBRRVTIHZTAX-IXFSTUDKSA-N 441.572 3.319 0 1 IGAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2-c1ccncc1 103242875 PKBNWEDXPXRJAX-VWLOTQADSA-N 425.444 3.142 0 1 IGAF OC1CCC(n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)CC1 169706626 XMWHZKQZVIMLTH-UHFFFAOYSA-N 444.543 3.004 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cccc(N(C)C[C@@H]4CCOC4)n3)C2)cc1 169709898 BQSTZPOZQBHLGX-GREBRCKQSA-N 438.572 3.409 0 1 IGAF COCC1CCN(C(=O)c2cc3c(cc2C)nc(O)c2cnn(C4CCOCC4)c23)CC1 261115813 ITJFHRVBTNVLHB-UHFFFAOYSA-N 438.528 3.449 0 1 IGAF O=C(NS(=O)(=O)N1CC(F)C1)c1cc(C2CC2)c(OC[C@@H]2CC[C@H]3C[C@@H]3C2)cc1F 261174366 UMTGTYIFLKEQDR-SNPRPXQTSA-N 440.512 3.146 0 1 IGAF Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2[C@@H](C(=O)OCc3ccccc3)[C@@H]3C=C[C@H]2CC3)cc1 299855620 BBCJBLNADOAKDK-MXNKGDRCSA-N 439.533 3.372 0 1 IGAF CC1=C[C@]2(CC(=O)N1[C@H](C)C(=O)O)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587344080 VWNDZGHRPIIWDX-MCYRLUQKSA-N 425.412 3.238 0 1 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CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(N2CCC2)CC1 40874107 WITNMAGOLNNLJI-UHFFFAOYSA-N 448.416 3.003 0 1 IGAF CCN1CCC[C@H]1CNC(=O)c1c(Br)c(Br)cc(O)c1OC 64448355 DCVJRBZAOIFCKY-VIFPVBQESA-N 436.144 3.140 0 1 IGAF COc1ccc2[nH]c(C(=O)N3CCc4nc(-c5cccnc5)nc(OC(C)C)c4C3)cc2n1 68248110 RJOZKRXTKBJJLG-UHFFFAOYSA-N 444.495 3.409 0 1 IGAF CCOC(=O)[C@@]1(C(=O)NCc2ccc(OC)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95597901 OLSAKKGEDBWFLQ-UUOWRZLLSA-N 443.496 3.074 0 1 IGAF O=C(COC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)Nc1ccc(Br)cc1F 102355593 DDLPDIYWVWCNHP-VMFHFQHDSA-N 426.282 3.401 0 1 IGAF CCSc1nnc(N2C(=O)C(=O)[C@H](C(=O)c3ccco3)[C@H]2c2cccc(OC)c2)s1 169692338 GNWWDSLBQFZCRO-LSDHHAIUSA-N 443.506 3.408 0 1 IGAF CO[C@@]12C=C[C@]3([C@@H]4[C@@H]1CC(C)(C)[C@@H]4O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 169692707 BANTYRLFVMBWRP-UKDPPHRHSA-N 449.591 3.410 0 1 IGAF CNC(=O)C1=C(C)[C@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccccc1OC 169720538 UQAYRIRQZVBEML-KCZVDYSFSA-N 435.549 3.464 0 1 IGAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(NCC3(F)COC3)c2n1 207612010 SQSKFFOFYMOZSA-UHFFFAOYSA-N 435.463 3.328 0 1 IGAF CC(C)N1CCN(C[C@](C)(O)Cn2c3ccc(F)cc3c3cc(F)ccc32)S1(=O)=O 223993986 IMVGKDFKTOVXRG-NRFANRHFSA-N 437.512 3.095 0 1 IGAF COC1=C(OC)[C@H]2C(=C[C@@H]1OC)C[C@H](C)[C@@](C)(O)CC1=C[C@@H](OC)C(OC)=C(OC)[C@@H]12 238784043 SZKOFHQULAARMR-ICKDSCEPSA-N 436.545 3.319 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)NC[C@H](C)O)N(C(=O)c2cccc(Oc3ccccc3)c2)C1 299887876 ZOWMNIBQMRXVET-CDNPAEQRSA-N 440.540 3.376 0 1 IGAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cccc(Br)c3[nH]2)c1 587229764 BVNXDHMVEPYIPP-UHFFFAOYSA-N 445.317 3.273 0 1 IGAF COc1ccc(CC(=O)Nc2ccc(-n3c4c(c5nc[nH]c(=N)c53)COC4)cc2)c(F)c1 1857548271 GLERJJWPTIMWTR-UHFFFAOYSA-N 433.443 3.192 0 1 IGAF COc1cc(OCCCN(C)C)c(-c2cn3ccc(N4CCNCC4)cc3n2)cc1Cl 1857591614 KJLJDSHBXJRADR-UHFFFAOYSA-N 443.979 3.403 0 1 IGAF O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1CN(Cc2ccc(Br)nc2)c2ccccc2O1 1857638333 PYJRFKCKHAGXAT-IEZWGBDMSA-N 446.345 3.031 0 1 IGAF 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Cn1nccc1[C@H]1CCC[C@@H]1Oc1cc(F)c(S(=O)(=O)Nc2ccncn2)cc1F 144016618 GHOSFOBBUGQTRM-WBMJQRKESA-N 435.456 3.004 0 1 IGAF COc1cc([C@H]2[C@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCc2ccccc2)ccc1O 169687209 ADCXOCIGMYJKFP-YADHBBJMSA-N 433.460 3.496 0 1 IGAF CCO[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 253803473 CVZMFXLZFUQQCZ-IYBDPMFKSA-N 439.482 3.142 0 1 IGAF COc1ccc(Cc2nc3cc4ccccc4cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 586956813 JRWVLWNEEKEEIR-UHFFFAOYSA-N 437.521 3.336 0 1 IGAF COC(=O)c1cc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 586962532 XPDFSAWKJGBTIA-GKCIPKSASA-N 440.525 3.439 0 1 IGAF COc1ccc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(C(F)(F)F)c1 587097379 KGFZDVXQRLSTGR-UHFFFAOYSA-N 441.431 3.278 0 1 IGAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 587203047 HSPRVRQLXNVJCG-JTQLQIEISA-N 435.244 3.423 0 1 IGAF COCC(=O)Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587562676 CNKMJNRETJHDJM-UHFFFAOYSA-N 427.404 3.141 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 587759258 FLSBKWBXSILELQ-KRNUTZAJSA-N 443.313 3.412 0 1 IGAF N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@@H]1Cc1ccccc1F 963665697 IBYJLDVSXSVHJU-HJOGWXRNSA-N 448.494 3.223 0 1 IGAF COc1ccc(NS(=O)(=O)c2ccc3c(c2)c2cc(C=O)ccc2n3C)c(OC)n1 1772633522 RPNMEOHJZZGOAI-UHFFFAOYSA-N 425.466 3.357 0 1 IGAF Nc1ncnc2c1c(Oc1cc(C(F)(F)F)ccn1)nn2[C@@H]1CC(F)(F)CC[C@H]1O 1911573355 SGSGZLBTEROREO-NXEZZACHSA-N 430.337 3.336 0 1 IGAF CC(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@H](C)[C@@]23Cc2c(cc4c(c2O)[C@H](O)OC4)O3)C1(C)C 2356396607 QDGUJKIOPSEVQG-SEWNMRSHSA-N 446.540 3.362 0 1 IGAF CC(C)c1cc(C(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)no1 12439957 QBCBRBWLHLFTMK-LJQANCHMSA-N 439.560 3.174 0 3 IGAF COC(=O)[C@@]12CCCN1[C@H](c1ccc(-c3cccc(Cl)c3)cc1)[C@H]1C(=O)N(C)C(=O)[C@H]12 36386526 YVBVKNMVGHAJND-KTIHBUSBSA-N 438.911 3.300 0 3 IGAF CC(C)C[C@H](CC(=O)O)C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O 3811056 AKWKBACKRMYPRV-NQIIRXRSSA-N 441.572 3.496 0 1 IGAF in-vivo CC[C@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC3CCCC3)c2c1 8662123 QSGGIUJTFGJBRE-INIZCTEOSA-N 431.558 3.154 0 1 IGAF O=C(Cc1cccc(Br)c1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12 29041395 XKDKTKPNGXUGSV-UHFFFAOYSA-N 449.330 3.047 0 1 IGAF CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)O 40411266 LFFXCAIUGVSUKR-RTWAWAEBSA-N 444.572 3.259 0 1 IGAF COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 40934052 CSOPRORDYFJSBJ-YGLIYXGISA-N 438.509 3.379 0 1 IGAF COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 110737815 KAQUCQHQTBVGSG-QZTJIDSGSA-N 426.450 3.218 0 1 IGAF CNc1nc(Nc2cc(F)c(C(=O)N3CC[C@@H](OC)C3)cc2OC)ncc1C(F)(F)F 147362130 KQULIMLHSWNKBK-SNVBAGLBSA-N 443.401 3.289 0 1 IGAF CCCCCC[C@@H](C)/C=C(C)/C=C/C(=O)N[C@H]1C[C@]2(C=C(Cl)[C@H](O)[C@@H]3O[C@@H]32)O[C@@H]1O 165957764 XKJXLFLLICSWJK-MECFWYRWSA-N 439.980 3.322 0 1 IGAF N[C@@H]1C[C@H]1c1ccc(OCC[C@H](NC(=O)c2ccc(O)cc2)C(=O)Nc2ccccc2)cc1 261140487 MZQZUCSIMIFCIC-VXNXHJTFSA-N 445.519 3.413 0 1 IGAF O=C(N[C@H]1[C@@H]2CNC[C@@H]21)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 261160574 QUDADUNQTFOUAW-ZDWTUXFCSA-N 434.521 3.344 0 1 IGAF CCCCC[C@H](C[C@H](O)CCc1ccc(O)c(OC)c1)SC[C@@H](NC(C)=O)C(=O)O 299851147 ABKUCVOVKDVODS-GUDVDZBRSA-N 441.590 3.356 0 1 IGAF CC(C)(C)OC(=O)N1CCOC[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587581594 IHGQXRJUVLFXKM-YWMUFLPLSA-N 427.453 3.358 0 1 IGAF COC(=O)CN[P@@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1 653715985 GMJMHKAOLVWFIJ-WJOKGBTCSA-N 446.396 3.196 0 1 IGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2c(NCc3ccccc3)nc3ccccn3c2=O)N1 962901767 LHKMRZBZYLCIGZ-SIKLNZKXSA-N 444.466 3.134 0 1 IGAF COC[C@@H]1CCCN1C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)Nc1cccc(Cl)c1 2356776156 UCGACOWBMZSORB-JWWGGVBKSA-N 437.053 3.448 0 1 IGAF O=C(C1=C[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H](OCCCCO)O1)N1CCOCC1 13656789 NPJFRYTYLZKOQH-APWZRJJASA-N 429.435 3.067 0 3 IGAF C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61904161 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COc1cc2c(cc1OC)[C@]1(CCNc3ncccc31)N(C(=O)c1ccccc1N)CC2 963147367 WYUIHNGGQJBVDQ-RUZDIDTESA-N 430.508 3.439 0 1 IGAF C[C@@H](C(=O)NCc1ccc(F)cc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2111646 ADENIIFIXSWQJV-LFPIHBKWSA-N 434.471 3.047 0 1 IGAF biogenic CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4310612 HWIQHEBIQPUVAD-PDIWNELESA-N 445.560 3.455 0 1 IGAF CCOc1ccc(-c2c(C)nn3c(C)c(C(=O)NCCN(C)C)cnc23)cc1OCC 8604290 WTJSVNJNWDZDLB-UHFFFAOYSA-N 425.533 3.102 0 1 IGAF O=C1N[C@]2(CCc3ccccc32)C(=O)N1CCCN1CCN(c2cccc(Cl)c2)CC1 49089019 IARDVIOHDKSEPI-DEOSSOPVSA-N 438.959 3.246 0 1 IGAF COc1cc(-c2nc(N3CCC(O)CC3)ncc2-c2nc(C)c(C)o2)cc(OC)c1OC 82167180 JOOOWAGXIVFQJJ-UHFFFAOYSA-N 440.500 3.402 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2OC[C@H](C)NC[C@@H]1C 95690032 DKOCUBLREHHOPE-WCJKSRRJSA-N 443.519 3.172 0 1 IGAF O=C(NC1CCCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 95874325 DFXDBLKOJGNHJX-RBZQAINGSA-N 435.572 3.020 0 1 IGAF COc1ccc(Cc2nc(C)nn2-c2cc([C@H]3C[C@@H]3c3nc(C)no3)nc(C)n2)cc1OC 143001274 RPQIDRXPWDJNTJ-IRXDYDNUSA-N 447.499 3.245 0 1 IGAF NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)/C=C/c1ccc(Cl)c(Cl)c1 143922857 CECLTTVHKRBDMR-AATRIKPKSA-N 425.290 3.193 0 1 IGAF CCS(=O)(=O)c1ccc(O[C@H]2CC[C@@H](O)CC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1 146403085 NBRRDAGQJCKBBQ-SHTZXODSSA-N 430.526 3.010 0 1 IGAF O=C(O[C@H](Cn1ccnc1)c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1 169352592 UTLIWAZSOYEKIX-LJQANCHMSA-N 428.876 3.465 0 1 IGAF COc1ccc(COc2ccc3c(c2)[C@@]2(N=C(N)N(C)C2=O)C2(CCC(OC)CC2)C3)cc1 169700417 XYVYKKFXSFXXOR-GMLZKYASSA-N 449.551 3.388 0 1 IGAF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc(N)c1NC(=O)OCC1CC1 199439205 OZZPGHCRZFWEIN-UHFFFAOYSA-N 448.462 3.199 0 1 IGAF O=C(NCCO)c1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1 225602965 IZQPZMRTEAWKIL-JLHYYAGUSA-N 429.451 3.417 0 1 IGAF COc1cc(C(=O)c2ccn(-c3cccc(NS(C)(=O)=O)c3)c2)cc(OC)c1OC 299828998 OYSWJDZJQQPEGS-UHFFFAOYSA-N 430.482 3.106 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2cnccn2)C1 299884764 UKOVKZHZXBQLHA-OMANQYLTSA-N 428.577 3.304 0 1 IGAF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(N)c(N)cc4[nH]3)ccc2s1 587034392 UBYXVDJYZNJHDW-UHFFFAOYSA-N 439.497 3.274 0 1 IGAF CCC(=O)N[C@H](O)[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587574221 WDIAKLKGNYENNO-SDUSCBPUSA-N 433.460 3.402 0 1 IGAF CNS(=O)(=O)c1sccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587838003 ARPNQJRAAJCVHG-ABKXIKBNSA-N 433.368 3.356 0 1 IGAF Nc1ncc(-c2cc([C@@H]3[C@H]4CN([C@@H]5CCOC5)C[C@H]43)nc(C3CC3)n2)cc1OC(F)F 653762255 RGEFPLPFUWQZLY-CUYVQJCZSA-N 429.471 3.034 0 1 IGAF CC1=C([C@]2(C)c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)C(=O)N[C@]1(C)O 963840990 FBDOFPYUKLROPK-QQTNTEGQSA-N 444.528 3.002 0 1 IGAF NS(=O)(=O)Oc1ccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)cc1 1857616714 VEOHVGGIOZDGJG-UHFFFAOYSA-N 429.397 3.351 0 1 IGAF O=C(NCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1cc(Cl)ccc1O 1857650072 ZTWOOJPMZWHHHZ-UHFFFAOYSA-N 430.913 3.454 0 1 IGAF COc1ccc2c(c1)CC[C@@]21NC(=O)N(CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)C1=O 1857751091 VOSYQSJSTNXTKX-WGDIFIGCSA-N 447.535 3.216 0 1 IGAF COc1ccc(OC)c(CN2C(=O)COc3ccccc3[C@H]2c2nnnn2C2CCCC2)c1 203465575 DNTHGEPQINATHE-QHCPKHFHSA-N 449.511 3.316 0 3 IGAF O=c1ccc(-n2cnc3ccccc32)nn1CCCN1CCN(c2ccccc2Cl)CC1 13437624 XLYXHBNISMVAHH-UHFFFAOYSA-N 448.958 3.448 0 1 IGAF COc1ccc(C[S@](=O)c2ncccc2C(=O)Nc2ccncc2)c(OCCF)c1 13605344 QGJDCUDOYODYQA-SSEXGKCCSA-N 429.473 3.394 0 1 IGAF O=C(c1cscn1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1 13738817 KPPQFKCMNAJDHF-PMACEKPBSA-N 425.554 3.331 0 1 IGAF CC(C)(C)CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NS(=O)(=O)c2cccs2)c1=O 25224908 CSLPWTPSZGUZLX-CABCVRRESA-N 449.598 3.093 0 1 IGAF biogenic CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2ccc(F)cc2F)CCO1 27657669 MMKGBABWESAOLC-HNNXBMFYSA-N 439.890 3.230 0 1 IGAF Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ccccn4)CC3)c(C(F)F)c21 27855613 KODCTCSMKJXHTC-UHFFFAOYSA-N 432.402 3.035 0 1 IGAF COc1ccccc1O[C@H](c1cccc(I)c1)[C@@H]1CNCCO1 28881094 MGRHQJGGNQRJSA-ZWKOTPCHSA-N 425.266 3.408 0 1 IGAF CCOC(=O)CCCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1 66251579 JIPTYBIBVZGGAY-UHFFFAOYSA-N 427.545 3.209 0 1 IGAF O=c1c(NCc2cccc(O)c2)c2n(c(=O)n1Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1N2 82205791 WYFJEPPKLVPYIW-WOJBJXKFSA-N 436.487 3.424 0 1 IGAF COC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]2C1=O 84672060 ZNUWSJDCVRLYLU-VIJYTYGRSA-N 448.468 3.220 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)NC[C@@H]1C 95688533 VMZAIKVTLMIHQJ-PNLZDCPESA-N 440.544 3.424 0 1 IGAF CNc1ccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc2n1 96283396 BEABMQUGYQOCDN-UHFFFAOYSA-N 446.555 3.189 0 1 IGAF CC(C)(C)NC(=O)N1CCn2c(Br)c(-c3cccc(F)c3)c(C(N)=O)c2C1 112972724 ICZBTKHHJWGRTC-UHFFFAOYSA-N 437.313 3.479 0 1 IGAF CS(=O)(=O)Nc1ccc(-c2nccnc2C2CN(c3ncc4ccccc4n3)C2)cc1 140099021 DOWPWRJJQYWKAZ-UHFFFAOYSA-N 432.509 3.062 0 1 IGAF N[C@H]1CCc2ccc(OCCN3CCCS3(=O)=O)cc2[C@@H]1Cc1cccc(Cl)c1 143044033 PLNRNWCBXKAVPU-VXKWHMMOSA-N 434.989 3.354 0 1 IGAF Cn1cc(-c2cccc(-n3ncc4cc(C(C)(C)C)ccc4c3=O)c2CO)cc1C(N)=O 143534833 LMKFXBYAIMXOOV-UHFFFAOYSA-N 430.508 3.280 0 1 IGAF O=C1CC[C@@H](C(=O)N2CC=C(c3ccc(NC(=O)N4Cc5ccccc5C4)cc3)CC2)N1 165960660 CFBAIIXVEUEVBN-QFIPXVFZSA-N 430.508 3.129 0 1 IGAF Cc1cc(C)cc(CC(=O)N2CC[C@@]2(C)C(=O)N(CC(N)=O)Cc2ccc(Cl)cc2)c1 204894525 OJKSSBUFVMWRBC-DEOSSOPVSA-N 441.959 3.004 0 1 IGAF COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5cc(OC)c(OC)cc45)[C@@]3(C)C[C@H]12 238787103 FDIBLSADLHBGHK-OAPVWKJKSA-N 426.513 3.370 0 1 IGAF COc1cccc(-c2ccc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c23)c1 473123201 LDTJXMZCPRCCMG-UHFFFAOYSA-N 442.519 3.483 0 1 IGAF COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354126 UDKPYAOAVMMAHN-TUDHKMOQSA-N 442.439 3.391 0 1 IGAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S(=O)(=O)CC(=O)O)cc1F)CC2=O 587467934 UWLQIHVKBICVQS-NRFANRHFSA-N 436.457 3.223 0 1 IGAF COC(=O)C1CCN(C(=O)C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC1 587769226 NLCYKQCEOBHVOC-FKIZINRSSA-N 441.341 3.139 0 1 IGAF CNS(=O)(=O)c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587839483 HHWQVUGKYJBRBM-BBATYDOGSA-N 427.339 3.294 0 1 IGAF CCOC(=O)c1cc(OCC)n(-c2ccc(C(=O)OC)cc2O[C@@H]2CCOC2)c1OCC 587925637 SDNIWASOMHRIBF-MRXNPFEDSA-N 447.484 3.406 0 1 IGAF COC(=O)Cc1cc(OC)n(-c2cc(Br)cnc2Br)c1OC 587939724 ITUSHINCFUEQCZ-UHFFFAOYSA-N 434.084 3.130 0 1 IGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(O[C@H]3CCOC[C@@H]3C)c2cn1)c1ccccc1 1772586718 JYSNHMORORUHFY-KYNGSXCRSA-N 425.489 3.271 0 1 IGAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@H](NCc2cccc(F)c2)C[C@H]1O 2356288870 MATYFZSVPFNLFW-JFJDKTSWSA-N 425.479 3.112 0 1 IGAF CC(=O)O[C@@H]1C[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1 2356384020 IWCNCUVTGOMGKG-QZTGTYOWSA-N 432.557 3.146 0 1 IGAF CN(C)c1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@H]4CNC(=O)c3ccco3)n(C)n2)cc1 2356866101 VMDUHDYJIHUWAY-JBACZVJFSA-N 433.556 3.354 0 1 IGAF COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N2CCOCC2)c(OC)c1 773266 JSCQGTQXTYWTIQ-PZJWPPBQSA-N 430.888 3.308 0 1 IGAF O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 9642887 UFUSJNCXBKQYCU-ARFHVFGLSA-N 430.492 3.365 0 1 IGAF CCNC[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccccc4)c3c2F)C1 25963207 JFFJIAZEFCOBMB-CQSZACIVSA-N 427.451 3.403 0 1 IGAF CC(=O)OCCCN1C(=O)[C@H](OC(C)=O)N=C(c2ccccc2)c2cc(Cl)ccc21 26152061 KQIHMBHBEXNKDC-NRFANRHFSA-N 428.872 3.366 0 1 IGAF COc1cc(/C=C\c2ccc(OC)c(NC(=O)NCCN3CCOCC3)c2)cc(OC)c1 40835264 ROFRBHINSJODGW-PLNGDYQASA-N 441.528 3.337 0 1 IGAF C[C@@H]1[C@@H]2[C@H](c3ccc(C(=N)N)cc3)N(C)C(C)(C)[C@@H]2C(=O)N1Cc1ccc2c(c1)OCO2 70718781 DMANOKXYDMAICQ-BNQVVEKUSA-N 434.540 3.128 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N(C)C3CCCCC3)c(-c3ccc(F)cc3)n2)CC1 82139868 WRAQBJQFICFEAM-UHFFFAOYSA-N 439.535 3.356 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)NC[C@H]1C 95688532 VMZAIKVTLMIHQJ-YVHKJVDXSA-N 440.544 3.424 0 1 IGAF O=C(Nc1ccccc1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1Cc1ccccc1Cl 95880708 XEJXJZWGCZQKBQ-PBIIQAGSSA-N 449.938 3.304 0 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Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1nc(=NC(=O)c3ccc(F)cc3)s[nH]1)O2 587385376 SJXRYKSKLJGBTQ-NRFANRHFSA-N 426.473 3.209 0 1 IGAF CCCc1c(O)ccc2c1O[C@@H]([C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)CC2=O 587474222 CYDQUTNLWZDRLT-MGPUTAFESA-N 446.544 3.442 0 1 IGAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(S(N)(=O)=O)cc1)CC2=O 587483762 FXAXGZHVJNUGHZ-OAQYLSRUSA-N 426.494 3.489 0 1 IGAF CC(C)(C)OC(=O)NCCNC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587659947 LNBDCMMYKSNNFU-UHFFFAOYSA-N 426.448 3.285 0 1 IGAF Cc1ccc(C)c(COc2cc(Nc3nccc(N)n3)ccc2N(C)S(C)(=O)=O)c1 1772602822 FHBUNKWNTFAFIT-UHFFFAOYSA-N 427.530 3.394 0 1 IGAF CN1C(=O)S/C(=C\c2cc3c(Cc4cnc(=N)[nH]c4)c[nH]c3cc2Br)C1=O 1857558100 GVHCBYZMXVIODG-TVPGTPATSA-N 444.314 3.390 0 1 IGAF NS(=O)(=O)c1ccc(N2N=C(c3ccco3)C[C@@H]2c2cnn(-c3ccccc3)c2)cc1 1857649955 RFMKTDRALXEPIN-OAQYLSRUSA-N 433.493 3.468 0 1 IGAF N[C@@H](Cc1ccc(Cl)cc1)c1csc(Nc2ccc(C(=O)NCCCO)cn2)n1 61897173 JDYOLVKNWUTOMH-INIZCTEOSA-N 431.949 3.290 0 3 IGAF 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CCn1cc([C@]2(CN3CCOCC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1 587582810 REMWOOHZLPMDMH-RDGATRHJSA-N 449.507 3.106 0 1 IGAF COC(=O)[C@]1(CC(=O)c2cc(C)on2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587789680 AMWBIKNYJLKHLJ-NIVTXAMTSA-N 425.254 3.060 0 1 IGAF COC(=O)[C@]1(CC(=O)c2cc(C)on2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587795439 OSMNHAICEPQTCV-NIVTXAMTSA-N 425.254 3.060 0 1 IGAF Cc1ccc(C)c2c1NC(=O)[C@@]21c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963144855 MQRDAQFGEUIAOO-ASSNKEHSSA-N 429.498 3.202 0 1 IGAF C[C@H]1CO[C@H](c2cnc(N)c(O)c2)CN1C[C@H]1C[C@H]1CCNC(=O)c1cc2ccccc2[nH]1 1857578267 CWMXNQGPSNVWGK-GVKACGJPSA-N 449.555 3.069 0 1 IGAF CN1CCN(c2ccc(Nc3ncc(Cl)c(=NCCc4ccc(F)cc4)[nH]3)nc2)CC1 1911574299 NHILCOWNFYBFAC-UHFFFAOYSA-N 441.942 3.236 0 1 IGAF CC=C(C)C(=O)O[C@H](C)[C@@](C)(O)C(=O)OC(C)(C)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 2356461202 YDSKNOVPIQXATI-CLNHLTTHSA-N 444.480 3.067 0 1 IGAF CN1C(=O)c2ccccc2[C@H](C(=O)NCCCN2CCCC2=O)[C@H]1c1c[nH]c2ccccc12 2499066 AWZGLWAKAAKKLY-BJKOFHAPSA-N 444.535 3.207 0 3 IGAF Cc1cccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)c1 9678323 SOPKPLVPZSUENH-UHFFFAOYSA-N 437.565 3.303 0 3 IGAF CC(=O)Nc1ccc(CN2CC[C@]2(C)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 61902641 RMSXJJFQQTXLEZ-AREMUKBSSA-N 434.584 3.390 0 3 IGAF Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1cnc4ccccc4c1)C(=O)N3CC2 3827878 ZHOCQFVWAAJXSH-VWLOTQADSA-N 447.498 3.313 0 1 IGAF COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1[S@](C)(=N)=O 13982706 GNODSQUZRSUVER-LIOSHXBBSA-N 444.355 3.208 0 1 IGAF O=C(O)c1c(NS(=O)(=O)c2ccccc2NC[C@H]2CCCNC2)ccc2c1CCCC2 14964512 AFWKDAQYJRMYRM-INIZCTEOSA-N 443.569 3.476 0 1 IGAF CC(=O)CCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2ccc3nccnc3c2)[nH]1 40953844 LBGZNUFUOXPAIJ-FQEVSTJZSA-N 434.544 3.278 0 1 IGAF COc1ccc(COc2cnc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1 49112169 FYNJLBSSIPLISK-UHFFFAOYSA-N 448.483 3.030 0 1 IGAF in-vitro CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)NC[C@H]1C 95688101 BCNSWJISNLDVIF-YVHKJVDXSA-N 425.529 3.033 0 1 IGAF 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CC1=C[C@H](NCCCCCCN[C@@H]2C=C(C)N=C3C=CC(N)=C[C@@H]32)[C@H]2C=C(N)C=CC2=N1 221678385 OUGMBBMDFYNOHT-LIOHBJMPSA-N 432.616 3.237 0 1 IGAF COc1cc(Nc2nc3n(n2)CC[C@@H](O)N3Cc2ccccc2)ccc1-n1cnc(C)c1 299834947 SVZUXFAZHKXJHN-OAQYLSRUSA-N 431.500 3.253 0 1 IGAF COc1cc2ncnc(Nc3ccc4c(c3)CCN4C(=O)Cc3ccn(C)n3)c2cc1OC 299841047 XOUBLVMXYOSTFZ-UHFFFAOYSA-N 444.495 3.256 0 1 IGAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cccc(S(=O)(=O)N(C)C)c4[nH]3)c2)c1 587236540 XKWOUACISWMUBQ-UHFFFAOYSA-N 448.548 3.431 0 1 IGAF CCC[C@]1(CC(=O)N[C@@H]2CCOC2=O)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338107 QLXHOEBSNAARMH-MEKIYTOJSA-N 441.455 3.251 0 1 IGAF CCC[C@@]1(CC(=O)N[C@H]2CCOC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338120 QLXHOEBSNAARMH-XZOYJPPVSA-N 441.455 3.251 0 1 IGAF NC(=O)c1cc2c(nc1O)CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338805 RSMUSTLTNOTSED-YKSBVNFPSA-N 434.423 3.322 0 1 IGAF O=C(O)c1cn(C2CC2)c2cc(N3CCN(c4nc5ccccc5[nH]4)CC3)c(F)cc2c1=O 653701691 GSWSDQJUPCKKMF-UHFFFAOYSA-N 447.470 3.377 0 1 IGAF 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CC(=CCOc1cc(O)c2ccc(=O)oc2c1)CCC=C(C)C[C@H](O)[C@@H](O)C(C)(C)O 2356472107 LNNLNNPONQFENF-NZQKXSOJSA-N 432.513 3.433 0 1 IGAF CC(C)(O)C=CC[C@@](C)(O)[C@@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 2356800879 REVFMDKHADKHIU-YKUFXVHRSA-N 448.644 3.336 0 1 IGAF CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(OC)cc3)C(=O)[C@]12C 12477703 OFLUTENOCTXOII-QHYAIYAISA-N 436.464 3.165 0 3 IGAF COc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2F)[C@H](C)C(=O)O)cc1 13440888 GCXPWTLINLEUET-LLVKDONJSA-N 446.294 3.261 0 1 IGAF C[C@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccc(Cl)cc32)CCN1 13796195 ADSIJCJEGGYQEI-ZDUSSCGKSA-N 431.924 3.215 0 1 IGAF COc1cc(C[C@@H]2COC(=O)[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 14437757 VUNCHONBJWJYID-SJORKVTESA-N 446.496 3.313 0 1 IGAF endogenous,in-man O=C(NCCN1CCc2cc(F)ccc21)O[C@@H](CC1CCCCC1)C(=O)N1CCOCC1 14971821 GDNNTWIIBVVEBQ-QFIPXVFZSA-N 447.551 3.112 0 1 IGAF COC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(NS(C)(=O)=O)c(OC)c1 26485043 USGOCRZUDREISO-FQEVSTJZSA-N 429.498 3.262 0 1 IGAF COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(C4CC4)CC(=O)N23)cc1OC 26772104 SPEXCWIRFBJNLI-DVECYGJZSA-N 431.492 3.032 0 1 IGAF biogenic N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CC[C@H](CC(=O)O)C3=O)c(C(F)(F)F)c1 27302529 YDTUZWIQLFLWAK-LLVKDONJSA-N 433.386 3.462 0 1 IGAF CN1CCC[C@H](C(=O)N2CCN([C@@H]3c4ccc(Cl)cc4CCc4cccnc43)CC2)C1 28005389 MPOASGQWTHRDQW-GBXCKJPGSA-N 439.003 3.409 0 1 IGAF COc1ccc(CNc2nc3cnc(Nc4ccc(C(N)=O)cc4)cc3n2C)cc1OC 82083294 QSSVDSQNDZNYOO-UHFFFAOYSA-N 432.484 3.440 0 1 IGAF Cc1nnc(C[C@H]2CC[C@H](c3ccc(N4CCOc5ncnc(N)c5C4=O)cc3)CC2)o1 101693168 SBCCKYGVKFCXND-IYBDPMFKSA-N 434.500 3.306 0 1 IGAF O=C(Cn1ncc2c3ccccc3nc-2c1O)NCC1CCN(Cc2ccc(F)cc2)CC1 101779894 QKWPRPOHYGZNKF-UHFFFAOYSA-N 447.514 3.409 0 1 IGAF Cc1cc(C(=O)NS(=O)(=O)N2CCC2)c(F)cc1OCC12CC3CC(CC(C3)C1)C2 216203505 FGDJHKBUNYVVKD-UHFFFAOYSA-N 436.549 3.410 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(OC[C@@H]4CC4(F)F)ncn3)C2)cc1 261112074 IFFRGVJMYNHAID-UCLAIMLFSA-N 432.471 3.365 0 1 IGAF NS(=O)(=O)c1cccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586961973 ZZUGDRIBRMVBAE-NDEPHWFRSA-N 425.535 3.249 0 1 IGAF O=S(=O)(c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1)N1CCOCC1 587024126 OJIWMKBXIVJHIM-UHFFFAOYSA-N 432.552 3.436 0 1 IGAF CN(C)S(=O)(=O)c1cccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587167405 MFVCQLFNHKLDBQ-INIZCTEOSA-N 431.493 3.321 0 1 IGAF Cc1c(I)cnn1[C@H](C)c1nc2cncc(Br)c2[nH]1 587183128 VSZDNTBDVMVZHL-SSDOTTSWSA-N 432.063 3.439 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587352330 WXPOBNPFLGWAGJ-WZONZLPQSA-N 430.428 3.391 0 1 IGAF CS(=O)(=O)NC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369944 RYAIVRYAZHCPBC-GMAHTHKFSA-N 441.480 3.335 0 1 IGAF CCN(CC)c1ccc(-c2nn(-c3ccnc(N(C)C)n3)c(=O)c3ccccc23)c(O)c1 587664152 BKXVTOHQKXBULR-UHFFFAOYSA-N 430.512 3.461 0 1 IGAF Cc1c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cnc2c(C(=O)O)cnn12 587790491 CHLGCCSDYNEPJA-ZRNGKTOUSA-N 433.281 3.435 0 1 IGAF CCOC(=O)c1cc(C(=O)c2ccccc2)n2cc(C(=O)N[C@H]3CN4CCC3CC4)ccc12 653721388 HUPDTKMHKPPJQT-NRFANRHFSA-N 445.519 3.171 0 1 IGAF COc1ccccc1N(CC(=O)Nc1ncccc1OC)S(=O)(=O)c1ccc(C)cc1 653905150 IPCHDJBFHIAKMX-UHFFFAOYSA-N 441.509 3.241 0 1 IGAF CSCCNC(=O)Cc1cc(-c2ccc(C(=N)N)cc2)oc1-c1ccc(C(=N)N)cc1 1772579534 ZNFDEDDWHVRXDP-UHFFFAOYSA-N 435.553 3.203 0 1 IGAF Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F 3031264 PAKRXMRMKALTON-UHFFFAOYSA-N 448.516 3.222 0 3 IGAF CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCc3cccc(C)c3)c21 2928155 CKFIUTTXWWAOMX-UHFFFAOYSA-N 437.359 3.188 0 1 IGAF COc1ccc2c(c1)OC[C@@H]([C@H](O)/C=C/[C@@H]1[C@H]3C/C(=C/CCCC(=O)O)C[C@@H]3C[C@H]1O)O2 26144529 VKZZNADKILHZFB-RJWGGVFZSA-N 444.524 3.340 0 1 IGAF O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(CCN2CCOCC2)c2ccccc2c1=O 28864421 XNBXXJFGURNFNP-UHFFFAOYSA-N 435.568 3.032 0 1 IGAF O=C1NCCCC[C@H]1N(Cc1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1 28957737 IBVIPCHEAYMOIU-GOSISDBHSA-N 428.888 3.478 0 1 IGAF COc1cc2c(cc1OC)[C@H](c1ccc(F)cc1)N(C(=O)C(=O)N1CCCCC1)CC2 29124019 DFMMFGCBYJBMHZ-QFIPXVFZSA-N 426.488 3.330 0 1 IGAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2ccccc2)nc2n1CCS2 36444501 HWVQLFRPVKMJMA-UHFFFAOYSA-N 425.510 3.237 0 1 IGAF O=C1NCCCC[C@H]1N(Cc1ccc2nccnc2c1)S(=O)(=O)c1ccc(Cl)cc1 43131741 PZUMZACXEGVYKN-HXUWFJFHSA-N 444.944 3.143 0 1 IGAF COCC(COC)n1cc(Br)nc(Nc2c(C)cc(OC)cc2C)c1=O 95554348 IMBGHAIDIAWMHT-UHFFFAOYSA-N 426.311 3.209 0 1 IGAF Cc1ccc(N2C(=O)C[C@H](N(C(=O)CSc3ncccn3)C3CCCCC3)C2=O)cc1 104685717 MTDFIFIDAZXHTC-IBGZPJMESA-N 438.553 3.371 0 1 IGAF COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCO[C@H](C(F)(F)F)C4)ncn3)c2c1 225561444 QDQGSLOLQCUOPJ-SJCJKPOMSA-N 437.422 3.201 0 1 IGAF Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N[C@H]2CCCC[C@@H]2C)c1 299886891 XYEHKCYIVGPPLP-CUWPLCDZSA-N 435.572 3.462 0 1 IGAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cccc(Cl)c3[nH]2)cc1 586939777 FNLBQUUQVBDKRP-KRWDZBQOSA-N 432.933 3.167 0 1 IGAF COc1ccc(Cc2nc3ccc(Cl)c(C)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 586957194 RABCFJMTYXQUSB-UHFFFAOYSA-N 435.933 3.145 0 1 IGAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2ccc(F)c(Br)c2[nH]1 587226687 FAUIKOHPGMWDRG-UHFFFAOYSA-N 435.253 3.007 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(S(=O)(=O)NC(C)C)cn1 587869353 GWKIYWHFBAOGCK-UHFFFAOYSA-N 441.435 3.043 0 1 IGAF COc1cccc(C[C@]2(C(=O)O)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963189031 VMOSKVXTGFNPCG-LIRRHRJNSA-N 443.805 3.489 0 1 IGAF COCc1ccc(-c2cc3c(=N[C@@H](C)c4nn(C)cc4C)c(C(N)=O)c[nH]c3cc2F)cn1 1857758392 KQYCKJMIYOJHEH-AWEZNQCLSA-N 448.502 3.318 0 1 IGAF CCN(CC)CCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C 4056373 JFHSLPJNZZHELF-UHFFFAOYSA-N 431.540 3.257 0 3 IGAF Cc1ccnc(NC(=O)[C@@H](NS(=O)(=O)c2cccc3nsnc23)c2ccccc2)c1 9692497 XNFXAGGLOMKHOC-SFHVURJKSA-N 439.522 3.053 0 1 IGAF O=C(O)c1c(NS(=O)(=O)c2ccccc2NC[C@@H]2CCNC2)ccc2c1CCCC2 14964516 PIJOZYSVYHUJFP-OAHLLOKOSA-N 429.542 3.086 0 1 IGAF CCC(=O)N1CCn2cc(C3=C(c4cncc5ccoc45)C(=O)NC3=O)c3cccc(c32)C1 28133045 VVOFXGOUMCCSEE-UHFFFAOYSA-N 440.459 3.102 0 1 IGAF C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CN(Cc2ccccc2)CCN1C 45254686 OBMROJSOWJZLLA-XXBNENTESA-N 427.556 3.432 0 1 IGAF CC(=O)N(C)[C@H]1CCN(C(=O)Nc2ccc(N3CC[C@H](N4CCC[C@@H]4C)C3)c(C)c2)C1 59260587 XPNGRYZHYABEFS-NYVOZVTQSA-N 427.593 3.143 0 1 IGAF NS(=O)(=O)c1ccc(-c2cc(Cl)cc3c2O[C@@H](C(F)(F)F)C(C(=O)O)=C3)cc1 64573051 JGPRUEXSKNEPHR-OAHLLOKOSA-N 433.791 3.446 0 1 IGAF COc1cc2nc(N3CCC(C(N)=O)CC3)nc(NCCCc3ccccc3)c2cc1OC 82131903 CRRGDDBLKSPFMN-UHFFFAOYSA-N 449.555 3.393 0 1 IGAF COc1cccc(C(=O)N2C[C@H]3[C@@H](c4ccccc42)[C@@H](CO)N3C(=O)c2ccc(F)cc2)c1 95601355 DMZOAGGJCGYILZ-RBZQAINGSA-N 446.478 3.464 0 1 IGAF CCC(=O)N(C)C[C@@H]1Oc2ncc(-c3ccccc3C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C 95703495 GYCTWAQMECXVCN-FGSXEWAUSA-N 439.556 3.146 0 1 IGAF CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCCC1 95879422 ITUDCXKGGSSJMQ-IQFVJIFQSA-N 439.600 3.048 0 1 IGAF O=C(O)c1cn(C2CC2)c2cc(-n3cc(CNCc4ccccc4)nn3)c(F)cc2c1=O 98081950 IPWYVPPLXIWGMX-UHFFFAOYSA-N 433.443 3.044 0 1 IGAF COC1CCC2(CC1)Cc1ccc(-c3ccc(F)c(C#N)c3)cc1[C@]21N=C(N)N(C)C1=O 142111106 NGDMMAMORNIVDN-GJWKQQKWSA-N 432.499 3.478 0 1 IGAF NS(=O)(=O)c1c(NS(=O)(=O)CCc2ccc(-c3ccco3)cc2)ccc2c1CCC2 147176823 NGTLUSPFNXFAIH-UHFFFAOYSA-N 446.550 3.067 0 1 IGAF O=C(NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(COc2ccc(F)cc2)cc1 169290459 KKAREXGDOFNMHY-YGBDOONVSA-N 432.451 3.103 0 1 IGAF CCCOc1cccc([C@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)c1 169688992 WLESYWXDANUSDD-IRXDYDNUSA-N 425.466 3.384 0 1 IGAF O=C(c1ccccc1-n1cnnc1)N1C[C@H]2C[C@H](Oc3ccc(C(F)(F)F)cn3)[C@H]1C2 261087071 CTAUDMRXJCJSKS-XWIAVFTESA-N 429.402 3.363 0 1 IGAF Cc1cccc([C@]2(CS(C)(=O)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587851920 YHPPFDYJXCRUND-KZULUSFZSA-N 427.339 3.114 0 1 IGAF C[C@@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(=O)N4CCN(c5ccccc5)CC4)c3)C(=O)[C@H]21 618007430 MWXPFVNIHDDVLW-LEOXJPRUSA-N 429.520 3.351 0 1 IGAF C[C@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)c2c(F)cccc2C[C@H]2CCCN21 963096936 DZPCLZALSRIOSH-XXBNENTESA-N 430.545 3.131 0 1 IGAF COc1ccccc1[C@H]1ON=C(c2cccc(Cl)c2)[C@H]1C(=O)N[C@@H]1CCCCNC1=O 4211463 ZJJUCJBBHZTDIR-YFVAEKQCSA-N 441.915 3.225 0 1 IGAF COC(=O)/C=C/c1cc(OC)c2c(c1)[C@@H](C(=O)OC)[C@H](c1ccc(OC)c(OC)c1)O2 6006611 PSIYZHFYCJVWJB-ULJFZEHQSA-N 428.437 3.289 0 1 IGAF CCOC(=O)c1cn(Cc2ccc(Br)cc2)c2c(ccc3c2nnn3C)c1=O 28704633 SESIKKHZZRTNHK-UHFFFAOYSA-N 441.285 3.271 0 1 IGAF COc1cc(-c2nn(C)c3ncnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C 28822599 HGLHTBMFKAIGGR-UHFFFAOYSA-N 427.468 3.365 0 1 IGAF O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CCN(c2ccnc(Nc3ccc(F)cc3)n2)C1 45193333 KFGDCEFXHBZSLH-QGZVFWFLSA-N 436.447 3.488 0 1 IGAF CC[C@H]1/C(=C/c2cccc(C(F)(F)F)c2)[n+]2cccc(OCC(=O)O)c2[C-]1CC(N)=O 53650915 FPFLRSLQHBTVQP-DISPHTKASA-N 434.414 3.292 0 1 IGAF COc1ccccc1C(=O)c1cnc(NC2CCN(C(=O)Nc3ccccc3)CC2)nc1N 72175513 XBQHFXCPZMGKKQ-UHFFFAOYSA-N 446.511 3.407 0 1 IGAF O=C(NC[C@@H]1CCCO1)[C@@H]1C[C@H](O)CN1c1nc(-c2ccc(Cl)c(Cl)c2)cs1 82194345 HXSZEQWUYRDMPZ-DCGLDWPTSA-N 442.368 3.352 0 1 IGAF CCOc1ccc(CNc2c3n(c(=O)n(CCc4scnc4C)c2=O)[C@@H](C)CN3)cc1 82211644 ZDCDQJCBERCIGK-AWEZNQCLSA-N 441.557 3.015 0 1 IGAF CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)NC(C)(C)C)CC2 95564177 KQNOMPNENZWATD-UHFFFAOYSA-N 445.571 3.479 0 1 IGAF COc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCCC5)C[C@H]34)cc2)c1 95866283 JYZIRKKXAOIGHT-MZKUHISZSA-N 448.563 3.440 0 1 IGAF CS(=O)(=O)c1cccc(-c2cccn3nc(Cc4cccc(N5CCOCC5)c4)nc23)c1 96169555 UXIKEBTWRAOWAU-UHFFFAOYSA-N 448.548 3.227 0 1 IGAF CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)[C@H](O)c3c(cc4occc4c3C)[C@@]12C 96923932 QBYMPSZQBDARHI-ZJLRUGLKSA-N 430.497 3.460 0 1 IGAF O=C(O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(O)cc4)[C@H]3C2=O)cc1 101521195 JCOYCMOSSRINSX-HKBOAZHASA-N 430.416 3.142 0 1 IGAF CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 104639080 PHKJZWLSXPBGNC-VEXUSMLFSA-N 438.568 3.179 0 1 IGAF Cn1c(=O)c2ccc(-c3cccc(S(N)(=O)=O)c3)cc2n2nc(-c3cccc(F)c3)cc12 169350931 RWMYZHJFCCCTJF-UHFFFAOYSA-N 448.479 3.307 0 1 IGAF COCCN1CCN([C@@H](CN2CCC(N3CCCCC3)CC2)c2ccc(F)cc2)CC1 198332921 DOXYVRGRYDIYMI-VWLOTQADSA-N 432.628 3.081 0 1 IGAF CCc1cncc(-c2cc(Cl)c([C@]3(C)CS(=O)(=O)[C@@]4(CCOC4)C(N)=N3)s2)c1 217752055 DWVJHGJXHWWCTD-RBUKOAKNSA-N 439.990 3.186 0 1 IGAF COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)c(OC)c1OC 221950632 JJIPWSQERGSKJF-LJQANCHMSA-N 426.252 3.432 0 1 IGAF CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1C1=CC(=O)OC1 255221152 JJOMKSUIMZNZTC-UHQKVFMLSA-N 430.541 3.162 0 1 IGAF Cc1ccc(C(=O)N2C[C@H]3C[C@H](Oc4ccc(C(F)(F)F)cn4)[C@H]2C3)c(-n2nccn2)n1 261098268 FTIPLKXQDISZMV-XYPHTWIQSA-N 444.417 3.067 0 1 IGAF CC(C)[C@@]1(n2cc(-c3ccc4c(c3)OCCO4)nn2)Oc2cc3oc(=O)ccc3cc2C1=O 473082819 AAACMSWMTORGAU-XMMPIXPASA-N 445.431 3.407 0 1 IGAF COC(=O)CC(CC(=O)OC)(C(C)=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107651 SQZZCRQZLQIUKF-UHFFFAOYSA-N 431.444 3.399 0 1 IGAF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2nc(Br)c[nH]c-2n1 587114357 ZNKFUTDDSBLJDY-HNNXBMFYSA-N 428.212 3.485 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(N3CCN(CC(F)(F)F)CC3)s1)O2 587383510 XTVSLDLVOCJEMA-OAHLLOKOSA-N 426.464 3.425 0 1 IGAF NC[C@]1(c2ncn(Cc3ccccc3)c2N)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587577181 MPAVVHHIWCAEKM-CPJSRVTESA-N 442.475 3.035 0 1 IGAF CCOC(=O)C(C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(=O)OCC 587798027 NNJGFKMFQSVGGM-WYRIXSBYSA-N 430.314 3.470 0 1 IGAF COc1ccc([C@@]2(CS(C)(=O)=O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587852236 ZBNZQAFZPWIKQB-CWTRNNRKSA-N 442.350 3.419 0 1 IGAF Fc1cccc(Nc2ncnc3cc(OCCCN4CCOCC4)c4c(c23)OCCO4)c1 653912867 KTTDTUIJRYQELA-UHFFFAOYSA-N 440.475 3.385 0 1 IGAF COc1ccc(Oc2ccc([C@H](C)N(C)c3ncc4c(=N)[nH]c(=N)nc-4[nH]3)cc2)cc1OC 1857615067 QBXOUGNXBQGZOW-ZDUSSCGKSA-N 447.499 3.203 0 1 IGAF O=C(c1nccs1)N1CCN([C@@H]2CC(=O)N(c3cccc(-c4ccccc4)c3)C2)CC1 1857754745 ZWUZRKUHKKIXKI-OAQYLSRUSA-N 432.549 3.373 0 1 IGAF CC(=O)O[C@H]1C[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1 2356384017 IWCNCUVTGOMGKG-FPMUXIPKSA-N 432.557 3.146 0 1 IGAF COC1=CC2=C(c3c(cc(OC)c(OC)c3OC)C[C@H](C)[C@](C)(O)C2)[C@H](OC)[C@@H]1OC 2356638346 AIYHSCPSKCGBNX-PDZNXVJNSA-N 434.529 3.373 0 1 IGAF CN(C)S(=O)(=O)N1CCc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2C1 12299584 SDXDAUPSLSLFPH-UHFFFAOYSA-N 427.448 3.122 0 3 IGAF O=C(O)Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(CCCCCCO)C1=O 12358411 NHWYNBPDGCEJRZ-QFIPXVFZSA-N 427.497 3.430 0 1 IGAF O=C(O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2)c2cc(Cl)ccc21 14976805 ABVCZPJCOYQLBK-HXUWFJFHSA-N 437.254 3.234 0 1 IGAF Cc1c(OCC(=O)N[C@H](Cc2ccccc2)C(=O)O)ccc2c1oc(=O)c1ccccc12 15956017 VCXROLZIPAFETE-HXUWFJFHSA-N 431.444 3.446 0 1 IGAF biogenic C[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2C[C@H](O)C3)n1)c1ccccc1 28367331 NDYUNAFGVYGUBG-BEFAXECRSA-N 431.471 3.461 0 1 IGAF O=C(Nc1ccc(F)nc1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1 58575367 KXJSNGUMWGPTMJ-KRWDZBQOSA-N 447.478 3.215 0 1 IGAF COc1cc(OC)cc(N2CCN(C(=O)Nc3nc4cccc(C)c4nc3OC)CC2)c1 73224731 SYUIEMKDUDIRRO-UHFFFAOYSA-N 437.500 3.318 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 82199159 BNQKNKMJCWJENX-RBTPCCNQSA-N 448.560 3.081 0 1 IGAF CC(=O)NCC(=O)N1CCC2(CC1)CCN(Cc1ccccc1F)c1ccccc1O2 95593160 OYNLWCJBOGGUGG-UHFFFAOYSA-N 425.504 3.112 0 1 IGAF C[C@H]1C/C=C/C[C@@H](CC(=O)NCc2ccc(Cl)cc2)C(=O)N2CCC[C@H]2CNC1=O 95665484 JZSLOJVWMSSHIL-SHPAMFQESA-N 431.964 3.056 0 1 IGAF C[C@H](Oc1cc(C(N)=O)nc(-c2ccc(Oc3cc(Cl)ccc3F)cc2)n1)C(N)=O 142522241 QDYXAAARUBEFCA-JTQLQIEISA-N 430.823 3.080 0 1 IGAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(OC(F)(F)F)cc1 221909443 SWVDZCOMSHWEEZ-IMSIIYSGSA-N 430.358 3.393 0 1 IGAF COc1ccccc1N1CCN(C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@]4(C)[C@H](O)[C@H]32)CC1 504176480 ZXBPYNJHTIRHRM-ZLCOVWSXSA-N 440.584 3.102 0 1 IGAF biogenic O=C(O)CCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587594630 NGIJGCGDEHOUIT-YKSBVNFPSA-N 431.400 3.071 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCN(S(=O)(=O)C3CC3)CC2)N1 587839695 HYRGMRDKDFLZBP-ADLMAVQZSA-N 431.371 3.368 0 1 IGAF O=C(c1nccs1)N1CCN([C@@H]2CC(=O)N(c3cccc(Oc4ccccc4)c3)C2)CC1 1857641012 WSBQMOSUOWVSFA-LJQANCHMSA-N 448.548 3.499 0 1 IGAF CO[C@@H]1C=CC=C(C)Cc2cc(O)cc(c2)NC(=O)C[C@H](O)C(C)=C[C@@H](C)[C@H](O)CC1=O 2356483314 YGIOUPVSUFMGBC-DCHFCWSPSA-N 443.540 3.058 0 1 IGAF CC(=O)OC[C@@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 2356748447 GQZLXTLYIXYZIJ-DNQXCXABSA-N 430.504 3.448 0 1 IGAF COCCCN1C(=O)[C@H](CC(=O)NC2CCCCC2)CC(C(=O)N2CCCCCC2)=C1C 199200871 OYVDOCZHWOTIQY-FQEVSTJZSA-N 447.620 3.387 0 3 IGAF CCCCO[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC)cc2)N(C(=O)c2ccco2)C1 4547345 NFAXCFUBEBLAIP-RTWAWAEBSA-N 428.529 3.437 0 1 IGAF O=C1N2C=C(c3ccc(O)cc3)N=C(Cc3ccccc3)C2=N[C@@]1(O)Cc1ccc(O)cc1 4650687 ULLMMKZQNNBLRN-AREMUKBSSA-N 439.471 3.266 0 1 IGAF biogenic,in-vivo CN(C)S(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 13580916 HAVTUEFHYMRXDG-UHFFFAOYSA-N 430.534 3.306 0 1 IGAF Cc1nc(N2CCC(NCc3cccc(F)c3)CC2)nc2cc(S(C)(=O)=O)ccc12 14888240 DWTFPCDFNQBTQK-UHFFFAOYSA-N 428.533 3.239 0 1 IGAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(S(=O)(=O)NCCO)cc21 28570459 FHRNDZQBSORXCR-LIRRHRJNSA-N 429.369 3.450 0 1 IGAF CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nnn(C)c1C(=O)O 29408380 MSPMKRCBAZECMQ-UHFFFAOYSA-N 432.488 3.167 0 1 IGAF CC[C@H](C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O 29478418 UHUIYQVVRQZLAU-ZDUSSCGKSA-N 429.527 3.070 0 1 IGAF CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(-c3c[nH]c4ncccc34)cs2)c1 38253871 HIUHVDROHDSKTC-UHFFFAOYSA-N 427.511 3.239 0 1 IGAF NC(=O)c1ccc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)cc1F 73331042 CHGVCPPFYQOGNK-UHFFFAOYSA-N 432.459 3.215 0 1 IGAF O=C(CC1CC1)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@@H]1O2 95900767 IZLHCVQHHLSMHG-FZIATNMDSA-N 442.556 3.259 0 1 IGAF NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(C(F)(F)F)[nH]1 209406710 UVOBXXDOMWVMOM-HNNXBMFYSA-N 428.842 3.067 0 1 IGAF CC(C)(C)[C@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224719938 PTVLIGOMBCJSMA-FQEVSTJZSA-N 444.532 3.217 0 1 IGAF CC1=CCC[C@H]2[C@@]1(C)[C@@H](OC[C@]1(C(C)C)CO1)[C@H](O)[C@](C)(O)[C@]2(C)/C=C/C1=CC(=O)OC1 238731045 NGUVWBLUCWXCNS-OUBWSEQLSA-N 446.584 3.330 0 1 IGAF Cc1nnc(C[C@H]2CC[C@H](c3ccc(N4CCOc5ncnc(N)c5C4=O)cc3)CC2)[nH]1 261135822 LZSCWXMRIVANDY-WKILWMFISA-N 433.516 3.041 0 1 IGAF CC(C)(C)S(=O)(=O)NC[C@H]1CC[C@H](Nc2nc(C(F)(F)C(F)(F)F)no2)CC1 261165421 RUNYYNOTDPSEDX-MGCOHNPYSA-N 434.431 3.412 0 1 IGAF CC(C)Cn1c(=O)n(C)c(=O)c2nc(CCCCO)c(Cc3cccc4ccccc34)nc21 299836377 ZIXNDXQDSKUSQC-UHFFFAOYSA-N 446.551 3.205 0 1 IGAF COc1cc2cc(NC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)c(=O)oc2cc1O 299859941 GEJABVMDBMSTFP-AATRIKPKSA-N 427.409 3.185 0 1 IGAF Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(C)c1-c1cnn(C)c1 299863143 ONQXJCAIAGVKRH-ZWKOTPCHSA-N 434.548 3.018 0 1 IGAF O=C(c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1)N1CCN(CCO)CC1 586898054 GCRATIBJCARCQF-UHFFFAOYSA-N 442.519 3.353 0 1 IGAF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(O)nc(S)nc3[nH]2)CC1 587091731 NOAKOGJJDNHTSJ-UHFFFAOYSA-N 449.455 3.152 0 1 IGAF O=C(O)CN1C(=O)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587335985 IWMGLJIOJNASOK-URXFXBBRSA-N 433.391 3.217 0 1 IGAF CC(C)(C)OC(=O)N1CC2(C1)OC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598026 VYERGDWMDYVHNX-UZUQRXQVSA-N 425.437 3.112 0 1 IGAF C=CN1CC[C@H]([C@]2(c3cnccn3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1=O 587768820 MSWCBMQEHZTNRS-TUXXCZFBSA-N 431.309 3.148 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(S(=O)(=O)N(C)C)c2)N1 587840982 OMGKPWMIYAXECN-ADLMAVQZSA-N 427.339 3.462 0 1 IGAF CS(=O)(=O)c1cccc([C@@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cc(F)ccc32)c1 962894172 HPMHQACYEASFGE-JTHBVZDNSA-N 425.481 3.120 0 1 IGAF C[C@@]1(Nc2ncc(C(F)(F)F)cn2)CCC[C@H]1NC(=O)c1ccccc1-n1nccn1 1772609709 BWQJSRQDEPJXKN-VQIMIIECSA-N 431.422 3.229 0 1 IGAF COc1cc(-c2nncn2C)ccc1Nc1ncc2cc(C)[nH]c(=N[C@@H](O)C(C)(C)C)c2n1 1857768027 MVUZKEPPKXPTEQ-NRFANRHFSA-N 448.531 3.079 0 1 IGAF CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@H](O)CC)cc1 4039080 IYROSSQKHJXFCZ-NWSQWKLXSA-N 425.529 3.130 0 1 IGAF CN(CCCN1C(=O)CS[C@H]1c1ccc(O)cc1)CCOc1ccc2c(c1)OCO2 13799712 BDYOAEIUBPMJJM-QFIPXVFZSA-N 430.526 3.096 0 1 IGAF CC(C)(C)n1ncc2c(=O)n(Cc3ccccc3CS(=O)(=O)c3ccccc3)cnc21 13831301 TWYXLNHLUGDYQF-UHFFFAOYSA-N 436.537 3.370 0 1 IGAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)CN(CCc2c[nH]c4ccccc24)C(=O)[C@@]31C 16041789 CIRIKNPSZIJQQC-AREMUKBSSA-N 442.519 3.343 0 1 IGAF biogenic CC[C@]12CCCN3C[C@H](OC(C)=O)[C@]4(C(=Nc5ccccc54)[C@@](Cl)(C(=O)OC)C1)[C@@H]32 27206368 CQKCCFYSSWAGLK-GEPXCNEXSA-N 430.932 3.371 0 1 IGAF CC(=O)OC[C@@]1(C)[C@H]2CC[C@@]3(C)O[C@H](C4=CCOC4=O)C[C@@H]3[C@]2(C)CC[C@H]1OC(C)=O 28955961 GWGVFGBCUMIJFX-CQHQRGETSA-N 434.529 3.345 0 1 IGAF COc1ccccc1N1CCN(CCN(C(=O)c2ccc(F)cc2)c2ncccn2)CC1 33838275 ADELHWYAKAZUCR-UHFFFAOYSA-N 435.503 3.093 0 1 IGAF in-vitro COc1ccc(NS(=O)(=O)c2ccccc2Br)cc1N1CCN(C)CC1 45302742 SJMBDQZKEQESDI-UHFFFAOYSA-N 440.363 3.010 0 1 IGAF CN1C(=O)N(c2ccc(F)nc2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 95565678 VLHIAJGMGWGNEH-ZDUSSCGKSA-N 430.789 3.450 0 1 IGAF O=S(=O)(NC[C@@H]1CC[C@@H]2[C@@H](CN2Cc2cccc(-c3ccccn3)c2)O1)c1ccccc1 95869484 AZDNVLJOZOQLMI-FTBPSBKWSA-N 449.576 3.459 0 1 IGAF OCC1CCN(c2ncc(Cl)c(OC3CN(c4ccc5ccccc5n4)C3)n2)CC1 96168731 ZHHBDFBGXZYKBQ-UHFFFAOYSA-N 425.920 3.155 0 1 IGAF C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(CO)ccc1-c1ncccn1 96175594 NSZSJQFDRRSYLH-SJLPKXTDSA-N 436.487 3.490 0 1 IGAF Cc1nnc(NC(=O)CSc2n[nH]c3c4cc(Br)ccc4nc-3n2)s1 101788618 ULTXLPYNNVKDBU-UHFFFAOYSA-N 436.320 3.111 0 1 IGAF COC(=O)c1c(C(=O)OC)c2cc(C)ccn2c1C(=O)c1cc(OC)c(OC)c(OC)c1 299820696 HNOVRFKYCBVUSN-UHFFFAOYSA-N 441.436 3.078 0 1 IGAF COC[C@H](C)c1cc(N=c2ccnc(N(C)Cc3ccc4nc[nH]c4c3Cl)[nH]2)n[nH]1 474609675 SIXQNSLYMZXLPF-LBPRGKRZSA-N 426.912 3.281 0 1 IGAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1 586946805 PZNBPZSAHDQNOK-OAHLLOKOSA-N 441.488 3.012 0 1 IGAF CCOC(=O)[C@@H]1C[C@@H]2C[C@@]3(CC[C@H]2CN1C(=O)OC)CC(=O)c1cc(C)cc(N)c1O3 587401650 VGDPUNFUJPZDCM-JVXPPLNDSA-N 430.501 3.101 0 1 IGAF COc1ccc([C@@]2(CS(C)(=O)=O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587606040 FZXFMJDSHNZCOT-NZQKXSOJSA-N 440.473 3.303 0 1 IGAF COC(=O)[C@]1(CC(=O)c2cc(C)on2)N[C@H](C)Cc2ccc(F)c(Br)c21 587789673 AMWBIKNYJLKHLJ-DYBLOJMWSA-N 425.254 3.060 0 1 IGAF C[C@@H]1[C@H](c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1(F)F 653751538 LFUAMWIFIWKNLA-UXFCWIETSA-N 425.386 3.068 0 1 IGAF COC(=O)c1cnc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)s1 962915479 ABUALRHIUWZNFN-HTAPYJJXSA-N 440.477 3.290 0 1 IGAF CC(C)[C@@H]1CC[C@@H](C)C[C@@]12N(C)C(=O)[C@@H]1[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON12 1772640559 JYLLPDVJDAETFX-CBDXPUHWSA-N 445.947 3.074 0 1 IGAF Cc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4ccccc4)c(F)c3)n2)cnn1C 1772645156 VNIHYLYUJSBBEA-OAQYLSRUSA-N 446.486 3.037 0 1 IGAF Cn1cc(COCc2ccnc(NC(=O)Nc3cccc4c3[C@@H]3CCCCN3C4=O)c2)nn1 1857590020 CXLWAPHHTVIISB-IBGZPJMESA-N 447.499 3.252 0 1 IGAF O=C(O)c1cccc(-c2cn(-c3ccc(-n4ncc(CO)c4C(F)(F)F)cc3)nn2)c1 1857643787 OSJIPZYYPKNEET-UHFFFAOYSA-N 429.358 3.329 0 1 IGAF Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CCN2C[C@H]3CN2CCc3ccccc32)cc1 2356298101 UEKHESCWLXFDCJ-BHIFYINESA-N 425.598 3.046 0 1 IGAF CN1C[C@H](NS(=O)(=O)c2cccc(F)c2)C[C@H]1c1nc(-c2ccc(Cl)cc2)no1 2356829101 IUTLBVHVTXGLGW-WBVHZDCISA-N 436.896 3.253 0 1 IGAF CCC[C@](C)(O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5 6010194 LOOHQOHHYOAWOS-JVYHVUEVSA-N 425.569 3.467 0 1 IGAF CN1CCN(c2nc(NCCc3ccc(O)cc3)nc(N[C@H]3CCc4ccccc43)n2)CC1 13492559 MAUFRWSTBICIPT-QFIPXVFZSA-N 445.571 3.083 0 1 IGAF O=C1C[C@]2(C(=O)N1)c1cc(Cl)ccc1C(=O)N2Cc1ccc(Br)cc1F 13651389 BVZOQHDKUIMGGL-GOSISDBHSA-N 437.652 3.139 0 1 IGAF CCCc1nc(C)n2nc(CO)nc2c1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13737998 FDZSLDFTMQSCSF-UHFFFAOYSA-N 440.511 3.315 0 1 IGAF CC1=C(C(=O)OCCCCO[N+](=O)[O-])[C@@H](c2cccc3nonc23)C([N+](=O)[O-])=C(C)C1 26576661 INXAGSPTXPGFOL-MRXNPFEDSA-N 432.389 3.109 0 1 IGAF CNCCOc1n[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12 29128814 MPSMEEDGQBLMNI-UHFFFAOYSA-N 425.880 3.322 0 1 IGAF CN1C(=N)N[C@@](c2ccc(OC(F)(F)F)cc2)(c2cc(F)cc(-c3cncnc3)c2)C1=O 45245843 SWJSIMOUBCDDJW-FQEVSTJZSA-N 445.376 3.421 0 1 IGAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ccccc4F)CC3)c(F)c21 66259067 NJWAKSFOQXKAGV-UHFFFAOYSA-N 431.414 3.464 0 1 IGAF O=c1ccnc2ccc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cn12 73311970 JFZFVXXUKMKJIL-UHFFFAOYSA-N 430.512 3.352 0 1 IGAF CCCc1[nH]nc2c1[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)[C@@H](C(=O)OC)C(=N)O2 169691181 LTCCOPMKGOMORD-CJFMBICVSA-N 444.491 3.354 0 1 IGAF COCCOC(=O)C1=C(C)N=C(C)[C@@H](C(=O)OCCOC)[C@H]1/C=C/c1ccccc1OC 169691264 HYMYCQDHJAFMQD-XFOPUKRJSA-N 445.512 3.069 0 1 IGAF O=C(O)CCNC(=O)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O 169710970 QSKIXNOWSQDZGS-UHFFFAOYSA-N 443.459 3.022 0 1 IGAF COc1cc(NCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)nc(OC)n1 201588739 MWBQVBFYNBPWJN-UHFFFAOYSA-N 449.471 3.018 0 1 IGAF Cc1cc(-c2n[nH]c3cc(NC(=O)NCc4cccc(S(C)(=O)=O)c4)ncc23)ccn1 261139428 MUTFARMEKCCMKF-UHFFFAOYSA-N 436.497 3.054 0 1 IGAF COC(=O)c1cccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 586942855 QNAVZZWEFMOILM-UHFFFAOYSA-N 428.297 3.177 0 1 IGAF N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2ccnc(O)c2[nH]1 586977379 FZZLNHNUGATPEV-VIFPVBQESA-N 428.084 3.137 0 1 IGAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](c2ccccn2)(c2ncc[nH]2)N1 962930950 XEBJCDPROHRFIR-RDPSFJRHSA-N 428.448 3.193 0 1 IGAF CCOC(=O)[C@H](C)[C@]1(CC(C)=O)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963192128 YKNPNNMUHFGXDE-PCJJGOFDSA-N 435.826 3.331 0 1 IGAF Nc1nccc(Oc2ccc(NC(=O)C3(C(=O)NCc4ccc(F)cc4)CC3)cc2F)n1 1772623986 JUOADJCZPXXWKX-UHFFFAOYSA-N 439.422 3.164 0 1 IGAF O=c1cc(-c2ccc(N3CCNCC3)cc2)oc2c(OCc3ccco3)c(O)cc(O)c12 1857581349 MPHAWYXYXJUNOE-UHFFFAOYSA-N 434.448 3.453 0 1 IGAF COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2C[C@H](NCCO)C[C@@H](c3ccccc3F)N12 2356298655 QZNFWZBAOJBDPH-RVMZHNTDSA-N 437.515 3.233 0 1 IGAF COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)cc1OC 8604800 XUIRXAVILOMCOQ-QGZVFWFLSA-N 441.509 3.044 0 3 IGAF COc1ccc(N(C(=O)[C@H]2CSC(=O)C2)[C@@H](C(=O)NC(C)(C)C)c2ccncc2)cc1 13086263 DOERKPMWBFUAPN-OXQOHEQNSA-N 441.553 3.359 0 3 IGAF CN(C(=O)Nc1ccc(F)cc1)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)[C@H]1CO 61924230 JYBHUDFMGXBNBN-JBACZVJFSA-N 436.487 3.278 0 3 IGAF CC(=O)N(CCCN1CCCC1=O)[C@@H]1CC2(CCCCC2)Oc2ccc(C(N)=O)cc21 763242 BQVKLYOINAZTIT-HXUWFJFHSA-N 427.545 3.173 0 1 IGAF O=C(O)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1 13797792 PZNZBFBEAZCEQK-OAQYLSRUSA-N 437.473 3.248 0 1 IGAF CCOC(=O)[C@@H](Nc1ccc(C(=N)NO)cc1)c1cc(OCC)cc(O[C@H]2CCOC2)c1 28529349 WPARGNQRHRCECN-RXVVDRJESA-N 443.500 3.273 0 1 IGAF O=C(Cc1ccc(Br)cc1)Nc1n[nH]c2ccc(N3CCCS3(=O)=O)cc12 29041398 WSNJGDJRGNRVDV-UHFFFAOYSA-N 449.330 3.047 0 1 IGAF CC[C@H](CC(=O)O)n1c(=O)c2cnccc2n(Cc2cn(C)c3cc(C)cc(C)c23)c1=O 68244703 ULUMWLDVZQGMCT-QGZVFWFLSA-N 434.496 3.141 0 1 IGAF CNc1nc(Nc2ccc(I)cc2)nc(OCC(F)(F)F)n1 68572897 FLKBETTZZOTVGG-UHFFFAOYSA-N 425.152 3.203 0 1 IGAF biogenic O=C(NCCOc1ccccc1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 82193322 DLGVJXPMDPBWNK-FGZHOGPDSA-N 434.492 3.275 0 1 IGAF CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 82196782 RSHRCSVMMBGBKC-FDFHNCONSA-N 442.556 3.035 0 1 IGAF O=C(C[C@H]1CC[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(Cl)cc1 95904817 RXKHTODQLXZGSD-LSTHTHJFSA-N 449.910 3.216 0 1 IGAF CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccccc1F 142381852 DHBGCMMGTSEVAY-ISKFKSNPSA-N 446.588 3.394 0 1 IGAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2ccc(N3CCOCC3)cc2)cc1 142598612 ZXSSCFFNFJHDGY-KGVSQERTSA-N 449.532 3.403 0 1 IGAF O=C1C[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(-c3cccc(O)c3)n2)CN1 169707348 RVISLUKUGYJXPN-ZDUSSCGKSA-N 446.385 3.218 0 1 IGAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cnoc2)c1 224424360 DNRPKBGBANOYCH-OAHLLOKOSA-N 434.374 3.459 0 1 IGAF COC(=O)[C@@]12CCCC3=C1[C@H](C[C@@H](C)[C@]31C[C@@H](c3ccoc3)OC1=O)O[C@@H]2OC(C)=O 238740031 AZQXQJBTHHOQGP-BXQZJNESSA-N 430.453 3.222 0 1 IGAF 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BUCULLAUHLJMCO-UHFFFAOYSA-N 448.870 3.065 0 1 IGAF CCCNC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CCC)C[C@@H](C)[C@H](OC)CN(C)C2=O 95688035 XSKPUOALZGMDOU-KGVIQGDOSA-N 448.608 3.434 0 1 IGAF O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(NC2CCOCC2)nc1C1CCCC1 101585376 WTLFXXIUVHGLEH-BJWATOELSA-N 440.588 3.395 0 1 IGAF O=C1C[C@@H](c2ccccc2Br)C(=O)N1CN1CCN(c2ccccc2)CC1 103015914 DMXUXIFFEYWPRO-SFHVURJKSA-N 428.330 3.071 0 1 IGAF COCCn1c2c(c(O)nc1=O)[C@@H](c1ccc(OC)cc1)C1=C(O)c3ccccc3C1=N2 103639807 OZFAZGSPDXOHGI-KRWDZBQOSA-N 431.448 3.153 0 1 IGAF O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)NCCCCO)C21CC1 168404313 UJGZMQLZPVVPTN-XMTFNYHQSA-N 433.346 3.105 0 1 IGAF C[C@@H]1[C@H]2[C@@H](C(=O)N1Cc1ccc3c(c1)OCO3)[C@H](c1ccc(C(=N)N)cc1)N(C)C2(C)C 169687034 ZVHUDZOJVBUHDC-KAJMWERUSA-N 434.540 3.128 0 1 IGAF N#C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc(N)c2Br)CC1 219319132 DMBXRYJQQGGYHD-ZDUSSCGKSA-N 441.255 3.227 0 1 IGAF CCN(CC)C(=O)CS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)nc2)c(F)c1 224725925 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CCOc1ccccc1C1=NO[C@@H](c2ccccc2)[C@H]1C(=O)NCCCN1CCCC1=O 4153137 OSGHCYUHCSFEDY-UPVQGACJSA-N 435.524 3.306 0 1 IGAF CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C3=C[C@@]34NC(=O)[C@]5(CCCN5C3=O)C[C@@H]4C2(C)C)O1 13373545 ALXLLOQTGLPCFG-LROUJFHJSA-N 445.519 3.140 0 1 IGAF COc1cc2c(cc1OC)CN(CCNC(=O)c1cc(Br)ccc1OC)CC2 13588505 KSANSFZVRVSECI-UHFFFAOYSA-N 449.345 3.263 0 1 IGAF CCn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccc(OC)c(F)c2)n(CC)c1=O 13860288 GFIVTABKMGOGIV-UHFFFAOYSA-N 443.523 3.340 0 1 IGAF OC[C@@H](c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 22939237 KWFSABSQVNXQKZ-VWLOTQADSA-N 430.556 3.032 0 1 IGAF Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)OCc4c(ccc5ccccc45)O3)O2)c(=O)[nH]c1=O 26736153 KGWFETRZCYQEIS-GDGOIWHQSA-N 442.364 3.186 0 1 IGAF CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cc(F)ccc4Cl)c3)nc2n(CCC)c1=O 36190423 WDUVTIAQCMXHFJ-UHFFFAOYSA-N 444.898 3.411 0 1 IGAF CCCCOc1nc(NCCN2CCOCC2)c2ncn(Cc3c(F)cccc3F)c2n1 40915626 UGZWPZWADDDTRN-UHFFFAOYSA-N 446.502 3.076 0 1 IGAF in-vivo 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3.190 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594792 JBCQYQPNGPUDHP-UUOWRZLLSA-N 442.464 3.491 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1ncc(Br)cc12 587684840 PXYJQHZCYMPDQS-GYKQLYQFSA-N 441.098 3.476 0 1 IGAF C[C@@H]1CC[C@@H]2N[C@H](C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)CC(=O)[C@H]2C1 618014869 KBYRKXRCNYEWKQ-KNPMLCFXSA-N 426.344 3.126 0 1 IGAF O=C(O)CCNc1nc(N2CCc3ccccc3CC2)cc(-n2cc3ccccc3n2)n1 653771387 LDTKZCYBURIJJH-UHFFFAOYSA-N 428.496 3.307 0 1 IGAF CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2C[C@H](N(C)C)C2)c1O 1772618701 UADSESNXJPFVMK-UMVBOHGHSA-N 427.954 3.142 0 1 IGAF O[C@](Cn1cncn1)(Cn1cnc(SCc2ccc(F)cc2)n1)c1ccc(F)cc1F 1857534678 HTVKHZYHVOHCKW-HXUWFJFHSA-N 446.458 3.167 0 1 IGAF O=C(Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2)N1CCC2(CC1)OCCO2 3063309 ACECVLFYPXUCDT-UHFFFAOYSA-N 428.916 3.023 0 3 IGAF O=C(NCc1ccco1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1 6577078 KPLHKGZSZFRISD-UHFFFAOYSA-N 427.526 3.229 0 3 IGAF NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)cc1 13489869 KULPBFDLRQIQIE-HXUWFJFHSA-N 439.468 3.272 0 1 IGAF COc1cc(C2=NN(C(=O)COc3ccccc3)[C@@H]3CCC[C@H]23)c(C)cc1OCC(=O)O 35003055 AJRNDBRFBAKLFK-PKOBYXMFSA-N 438.480 3.261 0 1 IGAF Nc1nc(Cc2ccc(O)cc2)cc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 40872849 LFMMXCPHSGEZBE-UHFFFAOYSA-N 432.480 3.104 0 1 IGAF C1CCN(P2(N3CCCC3)=NP(N3CC3)(N3CC3)=NP(N3CC3)(N3CC3)=N2)C1 43598111 FGVWRPNKIOPBLU-UHFFFAOYSA-N 443.417 3.293 0 1 IGAF CC(C)c1cc(C(=O)N2Cc3ccc(OCCCN4CCOCC4)cc3C2)c(O)cc1O 58574677 AMUHXLKGSWMZEA-UHFFFAOYSA-N 440.540 3.478 0 1 IGAF O=C(c1nn2ccccc2c1Br)N1CCN(CCc2ccc(F)cc2F)CC1 73297124 CELPFHKOYOVBDS-UHFFFAOYSA-N 449.299 3.376 0 1 IGAF CCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82211211 VGZLZVWHOZJQFE-IBGZPJMESA-N 439.560 3.151 0 1 IGAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CC2)Oc2cc(C3=CCCC3)ccc2S1(=O)=O 95702411 NFGXEGSNUQWLDG-STSQHVNTSA-N 448.629 3.364 0 1 IGAF 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COC[C@@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc(Cl)c1 2356776153 UCGACOWBMZSORB-IDPBPBMLSA-N 437.053 3.448 0 1 IGAF Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCCc2ccccc2)Cc2ccco2)c1 4092051 NJGBPKGHWHJMCW-UHFFFAOYSA-N 448.523 3.089 0 3 IGAF C[C@@]12C(=O)N(CCCO)CC(=O)N1C[C@@H](c1ccc(Cl)cc1)c1c2[nH]c2ccccc12 2133312 KCZAYIHDXXYFAL-MHECFPHRSA-N 437.927 3.235 0 1 IGAF biogenic C[C@@H]1CCCCN1S(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)nn2C)c1 40422581 BQFQWWWYWGFNMK-GFCCVEGCSA-N 430.452 3.254 0 1 IGAF CCCCOCCCNC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(CC)n1 82074289 PGNAAOWUGWQDIN-IBGZPJMESA-N 447.601 3.344 0 1 IGAF N[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1cccc(F)c1 88260984 BVNAPVIOPJPIJW-XZOQPEGZSA-N 432.561 3.134 0 1 IGAF O=C(NC1CCCC1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO 95795899 GLQQPHVYVKRUCN-GPXNEJASSA-N 437.515 3.116 0 1 IGAF O=C(NC1CCCC1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4cncnc4)cc3)[C@@H]2C1 95874318 DFXDBLKOJGNHJX-HJOGWXRNSA-N 435.572 3.020 0 1 IGAF O=C(C[C@@H]1CC[C@H](NC(=O)CC2CC2)[C@@H](CO)O1)NCc1ccc(-c2ccccc2)cc1 95907283 XVXZKVDXPZSGFW-KMDXXIMOSA-N 436.552 3.185 0 1 IGAF Cc1cc(CCC(=O)c2ccc(CC(C)C)s2)cc(C)c1OC[C@H](O)CNC(=O)CO 103257878 BKGDRMGLOODFKZ-LJQANCHMSA-N 447.597 3.227 0 1 IGAF CN[C@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccccc1F 142382052 DHBGCMMGTSEVAY-VWNXMTODSA-N 446.588 3.394 0 1 IGAF O=C(N[C@H](c1ccc(F)cc1)C(F)(F)F)c1cc(C(=O)N2CCCC2)n2c1COCC2 146067050 IZTJQUXTERTPEU-GOSISDBHSA-N 439.409 3.427 0 1 IGAF COc1ccc2c(c1)C[C@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1O[C@H]1CCN(C)C1)CO2 169329875 OZBHPAKTNOSDFP-RXVVDRJESA-N 448.523 3.358 0 1 IGAF O=C(NS(=O)(=O)N1CC(F)C1)c1cc(C2CC2)c(OCC2CCCCC2)cc1F 216241881 PZMWEOVNILVHDS-UHFFFAOYSA-N 428.501 3.291 0 1 IGAF C[C@H]1Cc2c(nnn2-c2ncc(F)cn2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl 218486547 HSWKCWMWNVSZGG-VIFPVBQESA-N 440.788 3.456 0 1 IGAF CO[C@@H]1/C=C/C=C/C=C/C[C@H](C[C@H](C)O)OC(=O)/C=C/C=C/C=C/C[C@@H](O)C[C@@H](O)C1 257536321 RVOQCIAUFIYHFP-QRXVBZJYSA-N 432.557 3.317 0 1 IGAF Cc1ccc(O)c2c3c(nn12)CC[C@@](C)(NC(=O)c1ccc(-n2nccn2)cc1Cl)C3 299863137 OMNCSXVADOUVLQ-JOCHJYFZSA-N 436.903 3.260 0 1 IGAF O=C(Cn1nnc(-c2ccccc2)n1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660574 HEIPVEPFNRYHDW-UHFFFAOYSA-N 426.411 3.197 0 1 IGAF Cn1cccc1CN1CCc2sccc2[C@@]12C(C(=O)O)=CN(CC(=O)O)c1ccccc12 962370614 GCWPUMPFQOJSKI-DEOSSOPVSA-N 449.532 3.262 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@@]3(CC[C@H](c4ccccc4)c4ccccc43)N2C(=O)[C@@H]2CCCN12 963226814 XXVMWHOEFHBFHL-FFFNHMGKSA-N 438.531 3.337 0 1 IGAF N=c1ncc2cc(-c3c(Cl)cccc3-c3cccnc3)c(N3C[C@H]4[C@H](N)[C@H]4C3)nc2[nH]1 1857553306 HVHSJCXSXVCTSR-YRWFTTLQSA-N 429.915 3.213 0 1 IGAF Cc1ccccc1C1=NO[C@@H]2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C[C@H]12 206020164 XUSPHZZYKRTKOR-DLBZAZTESA-N 426.416 3.317 0 3 IGAF CCOC(=O)[C@H](Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1)NC(=O)C(F)(F)F 1658945 QQLGGJVWQHSYBP-KRWDZBQOSA-N 439.386 3.067 0 1 IGAF COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C(=O)C[C@H]2CO)cc(OC)c1OC 13309172 QUKCZKNCWCPIDQ-DJJJIMSYSA-N 432.469 3.065 0 1 IGAF biogenic Cc1cc(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCN(C=O)CC4)cc3)ncc12 13641508 PWFVULRAVFRDIO-UHFFFAOYSA-N 432.528 3.237 0 1 IGAF COc1ccc(Br)cc1C1=NCC[C@@H](CN2CCN(c3ccccc3)CC2)N1 22927165 RVBVZFLMCDGFOZ-SFHVURJKSA-N 443.389 3.388 0 1 IGAF CCS(=O)(=O)Nc1ccc(OC[C@@H](O)CNCCc2ccc(Cl)c(Cl)c2)cc1 40953971 GFIJHVGFTSZYNN-INIZCTEOSA-N 447.384 3.327 0 1 IGAF CO[C@@H]1/C=C/C=C/C=C/C[C@H](O)C[C@H](O)C/C=C/C=C/C=C/C(=O)O[C@@H](C[C@@H](C)O)C1 42888915 SZPWNRYGTQYOLD-CNHHHMNSSA-N 432.557 3.317 0 1 IGAF O=C1Nc2ccc(-n3cncn3)cc2[C@](CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1 45258572 WOAVNQWAOKKNOV-GOSISDBHSA-N 435.337 3.156 0 1 IGAF O=C(c1ccc2nc(C3CCCCC3)oc2c1)N1CC(N2CCN(c3ncccn3)CC2)C1 64746721 IABLYMUVWHQTGC-UHFFFAOYSA-N 446.555 3.312 0 1 IGAF in-vitro CC[C@@H](C)Nc1ncc(C(=O)NCCCOC)c(-c2cc(OC)c(OC)c(OC)c2)n1 82143525 KYXZDVHDKIAEHG-CQSZACIVSA-N 432.521 3.146 0 1 IGAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@@H]1CN(C)C 95852765 CUCZIJHOBJDKMN-DRSNIGMVSA-N 440.544 3.112 0 1 IGAF O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCC[C@H]2O)nc1C1CCCC1 101584697 YKQCVLCYKQLBRQ-CJFHNRDJSA-N 440.588 3.129 0 1 IGAF COc1ccc2nc(NC(=O)NC(=S)n3c(C)nc4ccccc4c3=O)sc2c1 103246354 UXUXJZMJHXVBHR-UHFFFAOYSA-N 425.495 3.278 0 1 IGAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)N1CCCO1)[C@@H](c1ccc(I)cc1)C2 169372411 QCUDYJXEEDCQAN-VQHPVUNQSA-N 426.298 3.021 0 1 IGAF COc1ccc([C@H]2C(C(=O)N3CCOCC3)=C(C)N=C3CC(C)(C)CC(=O)[C@@H]32)c(OC)c1 169694247 ZTOHLOBXUGOMDN-XZOQPEGZSA-N 440.540 3.380 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(F)c(F)c3[nH]2)C(C)C)cc1 586933924 ZIMGQFXOZFMNCX-GOSISDBHSA-N 436.484 3.153 0 1 IGAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3ccc4ncccc4c3[nH]2)cc1 586940411 PQOZGDUIOISAKU-FQEVSTJZSA-N 449.536 3.062 0 1 IGAF O=C1C[C@H](Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)c2c(Br)cccc2O1 587001928 AXXJUSKYBMGQTJ-VIFPVBQESA-N 437.271 3.208 0 1 IGAF CCOC(=O)C1=C[C@H](c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)C(=O)N(C)C1=N 587105107 OTQIRNOZWKTTSQ-QGZVFWFLSA-N 425.444 3.469 0 1 IGAF O=C(O)c1cc(Br)cc2nc(-c3nccnc3I)[nH]c12 587186333 HWMVMPVMRGNGPT-UHFFFAOYSA-N 445.014 3.085 0 1 IGAF COC(=O)[C@]1(Cc2c(C)[nH]c3c(C(=O)O)cccc23)CN(C(=O)OC(C)(C)C)CCC1=O 587639560 ZOAXWTGKKLMLDI-HSZRJFAPSA-N 444.484 3.086 0 1 IGAF CCOC(=O)C(=O)NC[C@@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587753478 HGCCFTCABRNAKF-ZSEKCTLFSA-N 449.320 3.045 0 1 IGAF O=C(O)c1cccc2c1CCN[C@@H]2c1cnc(N2CCN(Cc3ccccc3)CC2)s1 963131913 PHOFCHNBRRBRIT-QFIPXVFZSA-N 434.565 3.399 0 1 IGAF COc1cc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2N)oc(=O)c1 963135816 FGRFRENMPAMSPO-QHCPKHFHSA-N 436.464 3.036 0 1 IGAF COC[C@H]1CN(C(=O)c2ccc3cc(Oc4ccc(C(F)F)cn4)ccc3n2)CCN1 1772616223 FBRAUGXMWZJVLC-MRXNPFEDSA-N 428.439 3.420 0 1 IGAF O=c1n(CCCCN2CCN(c3cccc4sccc34)CC2)nc2ccc(F)cn12 1911584709 LRAPRUKUYXVHBH-UHFFFAOYSA-N 425.533 3.452 0 1 IGAF C[C@H](O)[C@@H](O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356450418 UBCPEZWGUOSYHO-ICRCCBPXSA-N 438.649 3.106 0 1 IGAF O=C(NC1CC1)C1=C[C@@H](c2coc3ccccc3c2=O)C[C@@H](OCc2ccc(CO)cc2)O1 13657325 IVHBCEGFJBCWII-KOSHJBKYSA-N 447.487 3.495 0 3 IGAF CCCSc1ccc([C@@H]2[C@H]3C(=O)N(CC)C(=O)[C@H]3[C@]3(C(=O)OC)CCCCN23)cc1 84459721 CQOJNXOOUWTHEA-XWQURZDVSA-N 430.570 3.262 0 3 IGAF CSc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)c(CO)c2)cc1 589799 RJTNBPZVAKKVNU-UHFFFAOYSA-N 443.472 3.420 0 1 IGAF O=S(=O)(N[C@@H]1CN[C@H](COCc2ccc(Cl)cc2)C1)c1cccc2cnccc12 3986660 FWFZQDNRACYPBR-OALUTQOASA-N 431.945 3.114 0 1 IGAF O=C(NCCOCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(F)cc1Cl 4206604 DCLKKNBQHYQENQ-IEBWSBKVSA-N 441.286 3.349 0 1 IGAF CCC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H]([C@@H](C)N2CCCC2)C1 13863714 MTYYYARFZLUVMG-BEFAXECRSA-N 426.388 3.470 0 1 IGAF O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC1[C@H]2CC3C[C@@H]1CC(F)(C3)C2 34630950 RUBWTVFAHWBQIP-ZRUZEJLOSA-N 440.485 3.255 0 1 IGAF CCCn1c(=O)c2[nH]c(-c3cnn(Cc4cccc(Cl)c4)c3)nc2n(CCC)c1=O 35849197 BHVNIIMPUODVIW-UHFFFAOYSA-N 426.908 3.272 0 1 IGAF O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 55182965 WHPOYCZVXPMBEU-QFIPXVFZSA-N 439.531 3.300 0 1 IGAF CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)cc1 59545797 BLXGJORAPNIJTJ-SZEUEKNRSA-N 446.573 3.117 0 1 IGAF O=C(Nc1c2n(c(=O)n(Cc3ccccc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccccc1 82209956 MBSDXINUDSPWEC-OAQYLSRUSA-N 438.487 3.326 0 1 IGAF CONC(=O)CCCN(C)C(=O)c1ccc2c(c1)c1c(n2C)CC[C@@H](C2CCOCC2)C1 84670310 OOVMTVFAEVACQP-GOSISDBHSA-N 441.572 3.240 0 1 IGAF CCC(=O)N(C)C[C@H]1Oc2ncc(-c3ccc(C)cc3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95708554 KEUFNJAMWLSPPG-NPPFBWRTSA-N 439.556 3.146 0 1 IGAF CN(CCOc1cc(Cl)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)S(C)(=O)=O 144839492 JTCOKPSUXXRXHE-QGZVFWFLSA-N 435.851 3.389 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1nc(-c2ccc(Cl)cc2)no1 217390166 HUKBLSVUBDBPMC-MISXGVKJSA-N 430.852 3.059 0 1 IGAF CC(C)(O)/C=C/C[C@](C)(O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 255262234 REVFMDKHADKHIU-RBRFQAFTSA-N 448.644 3.336 0 1 IGAF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(Br)nc2[nH]1 587181760 CCRJHPAUUIDWEI-ZETCQYMHSA-N 432.063 3.439 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(OCc3nnnn3C)c2)N1 587760995 RXQUUNKFRLEUPX-JEOXALJRSA-N 432.297 3.314 0 1 IGAF Nc1cc(Br)ncc1[C@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962696655 AJACMTYLBRABDC-OCCSQVGLSA-N 434.187 3.273 0 1 IGAF Cn1c(N2CCC(C)(CN)CC2)nc(N)c(Sc2cccc(Cl)c2Cl)c1=O 1857588736 BHGFUFNIOHAHFW-UHFFFAOYSA-N 428.389 3.386 0 1 IGAF CC1=CC(=O)O[C@H]2C[C@@H](CC[C@H](C)C=CCC(=O)CC1)O[C@](O)([C@H]1CSC(=O)N1)C2 2356704054 GCLFJDBFHQMHMU-PTSOYHJLSA-N 437.558 3.263 0 1 IGAF CCCCCC[C@H](O)C=CCO[C@@H]1[C@H](C)[C@@H](O)[C@@]2(C)O[C@@]1(C)[C@@]1(C)OC(=O)[C@H](C)[C@H]2O1 2356747957 IWOGBRLVZBYBFT-JFFDJIONSA-N 440.577 3.112 0 1 IGAF COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c(OC)c1 6577656 JKFAMQGYXBQYOP-SFHVURJKSA-N 441.509 3.044 0 3 IGAF CCc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N[C@@H](C)CC)c(=O)c3c2)cc1 6181221 WJPLSNVBQHSAMD-HNNXBMFYSA-N 441.553 3.444 0 1 IGAF Cc1cc2nc(C3CC3)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(-c3ccc(F)cc3)n2n1 13889362 GVFNYMNXBDTVHT-RKQNLGICSA-N 425.460 3.321 0 1 IGAF CC(C)C(=O)N[C@@H](Cc1ccc([C@H]2CC(O)=NS2(=O)=O)cc1)c1nc2ccccc2[nH]1 14952907 BLFACFOYSXZDSS-RBUKOAKNSA-N 440.525 3.350 0 1 IGAF O=C(S[C@@H](CC(=O)N1CCC[C@H]1C(=O)O)C(=O)c1ccc(F)cc1)c1ccccc1 27309693 NXIPMBCZAZWEQB-ROUUACIJSA-N 429.469 3.416 0 1 IGAF CC(C)OC[C@@H](O)CN(C(=O)CNC(=O)c1cc2cc(Cl)ccc2[nH]1)C1CCCC1 28119776 BNHVGZWYAQDQAN-SFHVURJKSA-N 435.952 3.108 0 1 IGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)[C@H](O)C[C@@]32O)C1 58468823 IBVUJOOHHPQIOV-QZTGTYOWSA-N 432.557 3.146 0 1 IGAF biogenic COc1cccc(CNC(=O)[C@H](C)NC(=O)c2csc(Nc3ccccc3)n2)c1OC 82083144 PVFXNLRLDQKZFO-AWEZNQCLSA-N 440.525 3.339 0 1 IGAF CC[C@]1(O)c2cc3n(c(=O)c2CO[C@H]1OCC(F)(F)F)Cc1cc2ccccc2nc1-3 84672345 ZWGWDGDINPFERC-SFTDATJTSA-N 432.398 3.458 0 1 IGAF COC[C@@H]([C@H](O)c1ccc(OC)c(OC)c1)[C@H](COC)Cc1cc(OC)c2c(c1)OCO2 85883469 UZBPYMBHWJYLKZ-YZZKKUAISA-N 448.512 3.242 0 1 IGAF biogenic CCOP(=O)(OCC)[C@H]1C[C@H](C(=O)Nc2cc(OC)c(OC)cc2C(C)=O)ON1C 95588599 DWNMKDORNDWOJA-MSOLQXFVSA-N 444.421 3.073 0 1 IGAF C[C@H](Oc1cc(C(=O)N[C@H](c2nnn(C)n2)C(C)(C)C)ncc1C1CC1)C(F)(F)F 146248022 IOQQQQVNNDAJFX-ZUZCIYMTSA-N 426.443 3.329 0 1 IGAF O=C(O)[C@H](Cc1ccccc1)C[PH](O)(O)C1=CCCN1C(=O)OCc1ccccc1 169685915 FXASZQIUURYSMQ-LJQANCHMSA-N 431.425 3.378 0 1 IGAF COc1c(F)cccc1-c1noc([C@@H]2CCN2C(=O)c2ccc(C)cc2-n2nccn2)n1 218125830 HJDKRWJGSBWZFK-KRWDZBQOSA-N 434.431 3.361 0 1 IGAF CCOC(=O)CCc1nc2nc(N3CCN(c4cccc(C)c4)[C@@H](C)C3)ccc2nc1O 299878658 JMJFHYHEAHLCTR-KRWDZBQOSA-N 435.528 3.250 0 1 IGAF COC(=O)[C@@H]1[C@@H]2CC3(C[C@@H]2C[C@@]12Oc1cc(OC)cc4c1C(=O)[C@H]2C4)OCC(C)(C)CO3 587453642 PNJLINNNUQFMMG-BYQKQAHRSA-N 442.508 3.170 0 1 IGAF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](c2cccnc2)([C@@H]2CCCNC2)N1 962923896 GWBDYCIUUMWZFU-YZXAJQSBSA-N 445.519 3.422 0 1 IGAF CCOC(=O)[C@]1(c2ccc(F)c(Cl)c2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963228067 HXJQMYHRLBKJJS-DENIHFKCSA-N 428.847 3.433 0 1 IGAF Cc1cc2c(cc1O)[C@@](c1cccc(CN3CCOCC3)c1)(C1CCC1)N[C@H](C(=O)O)C2 963487777 DGJWLALLOFCIFB-OZXSUGGESA-N 436.552 3.175 0 1 IGAF COc1ccc(N[C@@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)cc1 1857574939 LZZVVBWVAFTDIA-UJWQCDCRSA-N 446.352 3.014 0 1 IGAF COC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)[C@H](O)C[C@]4(O)[C@@H]3CC[C@@H]2C1 1857579658 HLVMTJOTGLNNPR-GPVFPRESSA-N 448.556 3.366 0 1 IGAF CCOP(=O)(CCCCCCNC(=S)SC[C@H](NC(C)=O)C(=O)O)OCC 1857767838 GIKIYLYKKXGPOI-AWEZNQCLSA-N 442.540 3.010 0 1 IGAF CC(C)NC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC(=O)N3CCCCC3)[C@H](O)CC[C@H]2[C@@]1(C)CO 2356322481 JNURGVMCVLQXQM-RHEDTODXSA-N 438.609 3.078 0 1 IGAF COC(=O)[C@H](Cc1cn(CC=C(C)C)c2ccccc12)NC(=O)[C@H](O)Cc1ccccc1 2356806962 WBOHBEKRKYUFEW-LADGPHEKSA-N 434.536 3.411 0 1 IGAF COc1ccccc1NC(=O)N1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1 6550940 KSBPXWHAVZFDEM-UHFFFAOYSA-N 429.484 3.154 0 3 IGAF CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(-c3cccc(Cl)c3)cc1)N[C@@]2(C)C(=O)OC 36386430 RWDZURMBPMPDNB-FZONSQQESA-N 426.900 3.204 0 3 IGAF CC1CCN(C(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3cc(Cl)ccc32)CC1 9616304 VUSTZXFWWADMHP-UHFFFAOYSA-N 431.945 3.185 0 1 IGAF O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1 13780546 GNALBMXZWTYWAG-NRFANRHFSA-N 425.916 3.146 0 1 IGAF CC1(C)O[C@@H]2C=CC=CC2=C1OCCN1CCC(Oc2ccc3c(c2)NC(=O)CO3)CC1 28338503 OFEQFEGZCSDDNZ-OAQYLSRUSA-N 438.524 3.435 0 1 IGAF COC(=O)c1cccc(-c2cnc(C(=O)CCc3ccc(OC4CCNCC4)cc3)o2)n1 29136014 CUFTXQMNNKVEMX-UHFFFAOYSA-N 435.480 3.470 0 1 IGAF CNc1cccc(CCOc2cc(C[C@H](CC(=O)O)c3ccc4c(c3)OCO4)nn2C)n1 36269279 VUDQMHAFTAQNOM-MRXNPFEDSA-N 438.484 3.008 0 1 IGAF COC(=O)c1ccccc1OC[C@@H](O)CNCCNc1cc(Cl)c2ccccc2c1O 40465308 PVJLTPGFOWEHDM-HNNXBMFYSA-N 444.915 3.427 0 1 IGAF COCCCNC(=O)[C@H](CCSC)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 82195476 YIFOZPIECNNIFV-KRWDZBQOSA-N 436.603 3.455 0 1 IGAF COc1cccc(NC(=O)N2CC(=O)N3[C@H](C2)[C@H](c2ccc(C4=CCCC4)cc2)[C@@H]3CO)c1 95797599 CXDBYTLNSJYCTB-CUYJMHBOSA-N 447.535 3.466 0 1 IGAF NC1=N[C@@]2(c3cc(NC(=O)c4ccc(OC(F)F)cn4)ccc3F)OCC[C@H]2CS1 144378167 QPKXZCVPZROCAR-APBUJDDRSA-N 438.431 3.325 0 1 IGAF CC(=O)NCCOc1cc(-c2cnn(C)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144847875 PQHOKKQZFWFNMA-NRFANRHFSA-N 431.414 3.381 0 1 IGAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cnn(-c2ccc(OC(F)(F)F)cc2)n1 146990337 CVDIRGGTOFSYMF-GOSISDBHSA-N 433.390 3.079 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)(CCCc4ccccc4)C[C@@H]4[C@@H](C2)N(C)CC[C@]341 169290008 HIHIEFXWVUQDNZ-MHBAIDQESA-N 449.591 3.337 0 1 IGAF C[C@@]1(c2sc(-c3cccc(C#N)c3)cc2Cl)CS(=O)(=O)C2(CCOCC2)C(N)=N1 217747052 OWXWGPFRXDZKJL-IBGZPJMESA-N 449.985 3.490 0 1 IGAF C[C@H]1CN(c2cc(-c3n[nH]c4ccc(-c5ccc6ncnn6c5)cc34)ncn2)C[C@@H](C)O1 225573994 GZKHMLLHIVEZOS-GASCZTMLSA-N 426.484 3.343 0 1 IGAF COc1cc2nc(Sc3nnc(N)s3)n(-c3ccc(C)cc3)c(=O)c2cc1OC 299832740 QXUSDRJEYFFVDU-UHFFFAOYSA-N 427.511 3.296 0 1 IGAF O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(N3CCOCC3)cc1)CC2 299865781 OCKDTDFLJPUWIH-UHFFFAOYSA-N 426.948 3.345 0 1 IGAF COc1cc(OC)c2[nH]c(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)nc2c1 586941083 DTYPOLYWVZABRO-UHFFFAOYSA-N 440.525 3.278 0 1 IGAF CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccnc(OC)c5[nH]4)nc3n2)cn1 587131247 YAVDALIZPLWDEG-UHFFFAOYSA-N 439.430 3.010 0 1 IGAF CCOC(=O)C[C@]1(C2CN(C(=O)OC(C)(C)C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587439126 UBCDREAAGRKYAW-WAIKUNEKSA-N 431.485 3.002 0 1 IGAF CC1(C)OC[C@@H]([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@]23CC(=O)c2ccc4c(c2O3)CCCC4)O1 587536761 WGXVPOYGYUBCBO-LKGQBZSTSA-N 430.497 3.297 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 587841555 RDOGBDZJIZXOPQ-RZNOAFHXSA-N 445.398 3.433 0 1 IGAF COC1(COc2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)COC1 653790213 SOVAUXJNICRTRN-UHFFFAOYSA-N 433.386 3.329 0 1 IGAF NC(=O)c1c(NC(=O)c2ccc(CN3CCCCC3)cc2)sc2c1CC[C@H](CO)C2 1772601780 XNXQXKGYYKFAPX-INIZCTEOSA-N 427.570 3.182 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CN(c4nc5cc(F)ccc5o4)C[C@@H]3C2)c1 1772604284 PETOFNWBOXDXHK-IYBDPMFKSA-N 432.459 3.064 0 1 IGAF N=c1nc2[nH]n(Cc3ccc(C4(C(F)(F)F)N=N4)cc3)cc2c2nc(-c3ccco3)nn12 1772657109 ANWWWKOQQLXOIX-UHFFFAOYSA-N 439.361 3.376 0 1 IGAF COc1ccc(-c2cn3cc(C(=O)NCCc4ccc(O)cc4)cc(N)c3n2)cc1OC 1857537966 HJFQJEXYEBVBHS-UHFFFAOYSA-N 432.480 3.279 0 1 IGAF COc1ccc2nc(Nc3nc(Nc4ccc(S(N)(=O)=O)cc4)ncc3F)sc2c1 1857591035 YZIXRDMUVHSZOG-UHFFFAOYSA-N 446.489 3.369 0 1 IGAF C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccccc1 198218035 OAWFIFWGIIGRLS-WDSOQIARSA-N 425.554 3.221 0 3 IGAF COc1cccc([C@@H]2N[C@@](CC(C)C)(C(=O)O)[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)c1 9598233 PQMSCGUZNYXSIU-AZXNSQLWSA-N 440.471 3.154 0 1 IGAF COc1cc2c(cc1OC)C1=NO[C@@H](CN3CCN(C/C=C/c4ccccc4)CC3)[C@@H]1CO2 22930597 WZOMJNATDSYQHS-ZPWQMVEJSA-N 449.551 3.146 0 1 IGAF COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)(CCCc4ccccc4)C[C@H]4[C@H](C2)N(C)CC[C@]341 26004017 HIHIEFXWVUQDNZ-XGUCFXRESA-N 449.591 3.337 0 1 IGAF N=C(N)c1cccc(NC(=O)Nc2ccc(S(=O)(=O)NCc3cccc(F)c3)cc2)c1 28089810 VARVQKGBZDXRKT-UHFFFAOYSA-N 441.488 3.232 0 1 IGAF CCOC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C 28525850 RFBGZVOYPOBALZ-WFOQEEKOSA-N 446.496 3.390 0 1 IGAF COC(=O)c1c(O)cccc1O[C@@H](CO)CCc1cc(-c2cc(C(=O)O)no2)ccc1F 43075108 WTZBZHJNANDWQI-CQSZACIVSA-N 445.399 3.044 0 1 IGAF Cc1ccc(CN2C[C@H](n3cnnn3)C[C@H]2C(=O)NCCc2cccc(Cl)c2)c(C)c1 59790559 GOJHCZRBRHAQKK-YADHBBJMSA-N 438.963 3.118 0 1 IGAF CC(C)N(Cc1ccccc1)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccco1 82143038 WGMPDKSJWKYTPM-LJQANCHMSA-N 447.539 3.489 0 1 IGAF C[C@H]1C[C@H](C)CN(C(=O)c2cnc(N3CCC[C@H](C(N)=O)C3)nc2-c2ccccc2F)C1 82159975 KEWLCXIAJLPADA-ULQDDVLXSA-N 439.535 3.103 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)Cc1ccccc1)CC31CCN(C)CC1 95868546 FGFUWGHRSXFVAB-JOCHJYFZSA-N 433.552 3.258 0 1 IGAF CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(O)ccc21 101036264 DSCOOCCDVOWIRV-UHFFFAOYSA-N 427.482 3.020 0 1 IGAF CCOC(=O)[C@H](CC)N1C(=O)[C@H](C)Oc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21 103175965 ARBWOBJTYPGUSS-LRDDRELGSA-N 444.459 3.025 0 1 IGAF CCOC(=O)c1cnc(NCCNc2ccc([N+](=O)[O-])cn2)nc1-c1ccc(C#N)cc1 141638255 LTESMDHCKJHOOG-UHFFFAOYSA-N 433.428 3.019 0 1 IGAF COc1ccc(Cc2nc(C)nn2-c2cc([C@@H]3C[C@H]3c3nc(C)no3)nc(C)n2)cc1OC 143001455 RPQIDRXPWDJNTJ-IAGOWNOFSA-N 447.499 3.245 0 1 IGAF CC1(C)CCc2c(C(=O)Nc3cnn([C@@H](CS(C)(=O)=O)c4ccccc4)c3)n[nH]c2C1 144205325 SFNLOYSFTSUDRG-IBGZPJMESA-N 441.557 3.007 0 1 IGAF Cc1ccc(C(=O)NC2(C)COC2)cc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2cn1 144285801 MWZDYJDVUHQMCN-MOPGFXCFSA-N 434.471 3.420 0 1 IGAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(F)cc5)CC4)[C@@H]3[C@H](O)[C@]21C 503967838 CCINPNZGQSKDQW-PGSZWAPMSA-N 428.548 3.233 0 1 IGAF biogenic N[C@H](Cc1ccc(I)cc1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587183717 HOEYRHSMEFSBRE-SECBINFHSA-N 433.175 3.170 0 1 IGAF CNC(=O)COc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587582015 YHOYOMWKVKQVKI-ZJSXRUAMSA-N 435.432 3.229 0 1 IGAF O=C(O)[C@@H]1CN(Cc2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587583875 VMXLWVQOXSZMPZ-HCYUJWNOSA-N 431.444 3.309 0 1 IGAF CC(C)(O)[C@@]1(c2ccc(OCCO)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594771 IXWTWFVOWPWVLW-BWKNWUBXSA-N 436.460 3.391 0 1 IGAF CNS(=O)(=O)Cc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1 587657952 GTKLKYCXWXXXEB-UHFFFAOYSA-N 441.459 3.380 0 1 IGAF Cc1nn(CCS(C)(=O)=O)c(C)c1[C@@]1(C)c2ccsc2CCN1Cc1cccn1C 962398841 OADDYGSXTXPHIE-JOCHJYFZSA-N 446.642 3.266 0 1 IGAF COC(=O)[C@@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962637173 QTYAHBBAFBDJNZ-UGSOOPFHSA-N 429.778 3.254 0 1 IGAF Nc1c([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)ccnc1Br 962676231 YEZOVBUKXYTNGZ-JXFKEZNVSA-N 427.302 3.163 0 1 IGAF Oc1ccc2c(c1)[C@](CC1OCCO1)(c1ccc(I)cc1)NCC2 963329774 TVDFUNMKGAHXOT-IBGZPJMESA-N 437.277 3.149 0 1 IGAF CN1C=CC([C@@H]2OC(C(Cl)(Cl)Cl)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1 1772634706 SEPDPSPSAHPGQK-HNNXBMFYSA-N 436.748 3.297 0 1 IGAF CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(C(=O)O)cc(C)nc12 1857582752 PXZFYWKTLMNKIM-UHFFFAOYSA-N 428.464 3.162 0 1 IGAF O=C(O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H](c1ccco1)c1nnnn1Cc1ccccc1 1857667919 BHNICAHUWBPVSL-UNMCSNQZSA-N 442.479 3.171 0 1 IGAF COc1ccc(C(=O)NCCc2ccc(CNc3ccc4[nH]c(=N)[nH]c(=N)c4c3)cc2)cc1 1857759113 ZNTIXZUNBCYJQD-UHFFFAOYSA-N 442.523 3.048 0 1 IGAF NS(=O)(=O)c1ccc(Nc2ccnc(SCC(=O)c3ccc(Cl)cc3)n2)cc1 1911581115 HERBPJQZNGCUMI-UHFFFAOYSA-N 434.930 3.496 0 1 IGAF CC[C@H]1[C@H](CC(C)=O)N2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@H]1C(=COC)C(=O)OC 2356520000 VWNYHBABHBBFQC-GPYKAUKUSA-N 440.540 3.048 0 1 IGAF O=C(NCc1ccccc1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccccc4)n3)CO[C@@H]12 25433500 VSJPMJFJRYHYHM-CBPXPLCBSA-N 432.480 3.017 0 1 IGAF biogenic CCN(CC)c1nc(N2CCN(C(=O)c3ccco3)CC2)nc2cc(OC)c(OC)cc12 40916740 MNUQKQWVPVQHQV-UHFFFAOYSA-N 439.516 3.049 0 1 IGAF O[C@@H]1CN(Cc2cccc(Br)c2)CC[C@@H]1N1CCN(c2ccccc2)CC1 58558404 ZBAZGRKSPONLTP-FCHUYYIVSA-N 430.390 3.207 0 1 IGAF c1ccc(CNc2ncnc3c2nc2n3Cc3ccccc3N2CCN2CCOCC2)cc1 66058773 IXKFOESKPKKDQK-UHFFFAOYSA-N 441.539 3.270 0 1 IGAF N=C(N)c1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@@H]32)cc1 70718787 QJGQVLOGIIJMMJ-MPMRWZLSSA-N 431.492 3.014 0 1 IGAF CC(C)S(=O)(=O)N1CCC(N[C@@H](c2ccc(C(F)(F)F)cc2)c2cnccn2)CC1 72101706 KKWWVKGXCSOSEJ-IBGZPJMESA-N 442.507 3.377 0 1 IGAF COc1ccccc1CNc1nc(N2CCC[C@H](CO)C2)nc2cc(OC)c(OC)cc12 82125843 YHXGYSDRIRSNIB-INIZCTEOSA-N 438.528 3.476 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N[C@@H]3CCCC[C@@H]3C)c(-c3ccccc3F)n2)CC1 82217002 FNAJLPLUKYBXKH-HRAATJIYSA-N 439.535 3.260 0 1 IGAF CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)N(C)c1cn[nH]c1)CC2 95560144 HUDAVWQNVFDFNL-UHFFFAOYSA-N 427.896 3.317 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(C)CC1 95865116 IUXWTLRUUCCBQT-LJQANCHMSA-N 426.586 3.156 0 1 IGAF CNc1nccc2ccc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cc12 96283391 FMDTZKACBQCRLG-UHFFFAOYSA-N 446.555 3.189 0 1 IGAF Cc1cccc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)c1 114181470 BTUHNRSNYFRVIW-WMZOPIPTSA-N 436.560 3.310 0 1 IGAF Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CCC[C@@H](O)CC1 145010411 IGYZGYVIMRJJRJ-LLVKDONJSA-N 448.499 3.008 0 1 IGAF COC1(c2cc(-c3cnc(N)c(C(F)(F)F)c3)nn2C(C)C)CCN(C2COC2)CC1 146472344 AGGQJZDOBFKPQK-UHFFFAOYSA-N 439.482 3.463 0 1 IGAF C[C@@H]1Cc2c(nnn2-c2ncc(F)cn2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl 218486472 HSWKCWMWNVSZGG-SECBINFHSA-N 440.788 3.456 0 1 IGAF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H]5CCOC5)[nH]c4c3)cc2)CC1 586913891 UOGMWEUCLSICAB-FQEVSTJZSA-N 433.556 3.109 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)cc1O 587407612 DDPCSTGCFQDTKL-RPWUZVMVSA-N 449.415 3.120 0 1 IGAF CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587435701 IHFHFRZSBVPLSX-LNPFQXMTSA-N 431.485 3.002 0 1 IGAF CCOC(=O)[C@H]1CCN(Cc2ccccc2)CC[C@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962900156 HZWKMVHVJIGIPH-QVNIBDNGSA-N 440.515 3.095 0 1 IGAF O=C(O)C[C@@H]1CCN(C(=O)COc2ccccc2)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 2356562676 ZXWYPKDJRVLUHV-JKSUJKDBSA-N 425.460 3.263 0 1 IGAF O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1C(=O)Nc2ccccc2C(=O)N1C1CCCCC1 199248591 IFBSJBYQZHPYGI-OAQYLSRUSA-N 435.480 3.192 0 3 IGAF CCOc1ccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NC[C@@H](O)CC)cc1 4151948 BWAXZGFVLOSSBB-LXBDKUERSA-N 426.513 3.463 0 1 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccc(C(C)C)cc2)[C@H]1C(=O)NCCOCCO 4152114 FVSMHOWJZJBHSY-UPVQGACJSA-N 440.540 3.426 0 1 IGAF COc1cc2c(C(=O)[C@@H]3CS[C@H](c4cccnc4)N3)cn(C(=O)N(C)C)c2cc1OC 13737543 LDEOMUXXMIHGCM-HRAATJIYSA-N 440.525 3.170 0 1 IGAF O=C(c1ccccc1)c1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1 13778473 QWWYGFMPRICJFQ-JOCHJYFZSA-N 448.500 3.373 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@H](O)[C@@](C)(O)[C@@H](C)C2 15262625 RENKUVKNQJCSQP-KHFQTWQWSA-N 448.512 3.382 0 1 IGAF biogenic CCOc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2cc(F)cc(F)c2)CCO1 27657857 ZAAVUNPFHZFKOA-INIZCTEOSA-N 439.890 3.230 0 1 IGAF COc1ccc(-n2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)c3ncsc32)cc1 35010325 WVTYGSFKLMMNEZ-UHFFFAOYSA-N 425.441 3.231 0 1 IGAF COc1ccc(N2CCc3c(-n4ccc(N5CCCS5(=O)=O)n4)cc(C)nc32)c(C)c1 40847316 VJUJOKCSCIQBSJ-UHFFFAOYSA-N 439.541 3.127 0 1 IGAF COC(=O)c1cccc(C(=O)NCc2cccc(-c3cccc(CN4CCNCC4)c3)c2)c1 45498818 MYLFFZKGICCWIN-UHFFFAOYSA-N 443.547 3.475 0 1 IGAF CCCCOCCCNC(=O)[C@H](C)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82082956 XPCSTQNIALUKHG-HNNXBMFYSA-N 449.573 3.269 0 1 IGAF C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@H]1CN(C)C(=O)C1CCC1 95701275 STOWNMHVDAONBA-HOIFWPIMSA-N 441.572 3.128 0 1 IGAF CCC(=O)N(C)C[C@@H]1Oc2ncc(-c3ccccc3C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95703492 GYCTWAQMECXVCN-SVMVAKDDSA-N 439.556 3.146 0 1 IGAF C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCCC1 95755335 RDUGMXCQARVJSN-MRXNPFEDSA-N 442.539 3.088 0 1 IGAF CNC(=O)c1cc(Nc2ncnc(N3CC(Oc4ccc(Cl)cc4)C3)n2)ccc1F 118715173 KBFVKCCUZIBKNJ-UHFFFAOYSA-N 428.855 3.035 0 1 IGAF C/C=C(/C)C(=O)O[C@H]1C[C@](C)(O)[C@@H]2[C@@H](C(C)=C[C@H]2OC(=O)/C(C)=C\C)[C@@H]2OC(=O)C(C)=C12 205669133 FORCJYCNRCOGKD-YQGWQFDCSA-N 444.524 3.331 0 1 IGAF CC(=O)CC1=C(C)C=C2C[C@H](C)C(=O)[C@H](C)[C@H]2[C@@H]1/C=C(\C)[C@@H](O)[C@](C)(O)/C=C/C(=O)O 238771481 LJTFNMFFSYRMHK-SWVMIXKBSA-N 430.541 3.398 0 1 IGAF CCCCC[C@H](C[C@@H](O)CCc1ccc(O)c(OC)c1)SC[C@@H](NC(C)=O)C(=O)O 299851148 ABKUCVOVKDVODS-IPMKNSEASA-N 441.590 3.356 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)O2 587391672 OBXWBSSXHFHZEW-UZLBHIALSA-N 428.533 3.337 0 1 IGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(S(C)(=O)=O)cc1N1CCOCC1)CC2=O 587490847 ZCKQWAFVZCTFKZ-JOCHJYFZSA-N 445.537 3.291 0 1 IGAF Cc1ccc(N2CC[C@H]3CN(CCCSc4nnc(-c5cnccn5)n4C)C[C@@H]32)cc1 653723356 WXPNHKQJDJARLG-RXVVDRJESA-N 435.601 3.273 0 1 IGAF C[C@]1(Nc2ncc(C(F)(F)F)cc2F)CCC[C@H]1NC(=O)c1ncccc1-n1nccn1 1772639981 HAZMOELOWBXLFD-BEFAXECRSA-N 449.412 3.368 0 1 IGAF COc1ccc(/C=C/C(=O)N2CCN(Cc3ccc(O)c4ncccc34)CC2)cc1OC 1857756775 WHHZHUYKZLAZHU-UXBLZVDNSA-N 433.508 3.315 0 1 IGAF CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1CC[C@@]13C[C@]4(C)C[C@@H]5C(=O)OC[C@]5(O1)[C@@](C)(C[C@H]32)C4=O 2356417292 WZMMXZUZVLVJHO-YWNXUOSGSA-N 428.525 3.371 0 1 IGAF Cc1nn(C)c2c1c(-c1ccccc1)cc(=O)n2[C@H](C)C(=O)NCc1ccc2c(c1)OCO2 9645356 APSKSWCQPGVDQG-MRXNPFEDSA-N 444.491 3.317 0 1 IGAF C[C@@H](C(=O)NCCC(F)(F)F)C(=O)N[C@H]1C(=O)N(C)c2ccccc2-c2ccccc21 28824916 RNMFABUEABNDQC-SCLBCKFNSA-N 433.430 3.192 0 1 IGAF COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)no2)cc1S(=O)(=O)N1CCCC1 71928048 LEBINJOZQVQPIE-OAHLLOKOSA-N 433.530 3.149 0 1 IGAF CCCCOC(=O)COC(=O)[C@@H]1CCCN(C(=O)c2coc(-c3ccc(C)cc3)n2)C1 82069610 XNLLNAPSFJCNCT-GOSISDBHSA-N 428.485 3.389 0 1 IGAF O=c1c(NCC2CCCCC2)c2n(c(=O)n1Cc1ccncc1)C[C@H](Cc1ccccc1)N2 82205230 HVBDFGNLLOFNTK-QFIPXVFZSA-N 445.567 3.482 0 1 IGAF O=c1c(NCc2ccccc2F)c2n(c(=O)n1Cc1ccncc1)[C@H](c1ccccc1)CN2 82213062 ABOSJNARXXRCSX-NRFANRHFSA-N 443.482 3.219 0 1 IGAF O=C(C[C@@H]1C=C[C@H](NC(=O)c2ccncc2)[C@@H](CO)O1)Nc1ccc(-c2ccccc2)cc1 95675772 WWBREHKQUAGTED-KMDXXIMOSA-N 443.503 3.192 0 1 IGAF CNS(=O)(=O)c1cccc(CNC(=O)c2cccc3c2cnn3-c2ccc(F)cc2)c1 115312721 QBCYWHLSAHDGHB-UHFFFAOYSA-N 438.484 3.003 0 1 IGAF CN1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1 169706697 CXWGJFULNXBOGI-UHFFFAOYSA-N 429.532 3.380 0 1 IGAF CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3C[C@H]4[C@H](N)C[C@]4(C)C3)c12 211517773 UYSFLJHCRMWPCF-NXHTTZLHSA-N 448.506 3.356 0 1 IGAF CCCCNC(=O)Oc1ccc2nc3n(c(=O)c2c1)CCCN3CCCN1CCCCC1 299832203 SNKRAFDRMZTISF-UHFFFAOYSA-N 441.576 3.371 0 1 IGAF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(CCO)cc2[nH]1 586935030 FYOASEOYTBUWOL-SFHVURJKSA-N 433.599 3.487 0 1 IGAF COCCN1C(=O)CC[C@H](c2nc3cccc(C(N)=O)c3[nH]2)[C@H]1c1ccccc1Cl 587063334 TVFMLIHSFMMCMM-MGPUTAFESA-N 426.904 3.409 0 1 IGAF COc1cc2c3c(c1)O[C@H](c1c(N4CCSCC4)nc4c(C)cccn4c1=O)[C@@H](C2)C3=O 587450108 DKVDYXIDVVLKQI-KKSFZXQISA-N 449.532 3.053 0 1 IGAF COC(=O)CN[P@](=O)(OCCN(C)c1cc(=O)oc2ccccc12)Oc1ccccc1 653715984 GMJMHKAOLVWFIJ-HKBQPEDESA-N 446.396 3.196 0 1 IGAF COC(=O)c1ccc2c(c1)[C@]1(CCO2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962693580 APDYGLRLNDGYSH-OXQOHEQNSA-N 439.361 3.256 0 1 IGAF CN[C@H](C)C(=O)Nc1cc(-c2c(C)ncnc2C)cc(NC(=O)c2ccc(Cl)cn2)n1 1772607218 VMDYIGXFARKGRU-CYBMUJFWSA-N 439.907 3.003 0 1 IGAF O=C(O)[C@H]1C2CCC(CC2)[C@@H]1N=c1[nH]c(-c2[nH]nc3ncc(F)cc23)nc2ccsc12 1857534132 SREOUGXTEAHYFO-BYYDDPFNSA-N 438.488 3.492 0 1 IGAF CN(C)c1ccc(C(=O)NC[C@@H]2C[C@H]3CCN2C[C@H]3CN2CCc3ccccc3C2)cc1 2356297965 GNBYPYURLYHSMX-NOOIUNMQSA-N 432.612 3.251 0 1 IGAF CC(=O)N1CCC(N[C@@H]2CC(C)(C)[C@@H]3C[C@@](C)(O)CC[C@]32CCC(=O)N2CCCC2)CC1 2356872859 ZBSMBOUJSILFQA-MRGHISEYSA-N 447.664 3.326 0 1 IGAF CC1(C)S[C@@H]2[C@@H](C(=O)OCc3ccccc3)NC(=O)N2[C@@H]1C(=O)OCc1ccccc1 12479010 LPXALDJLBWHJBQ-IPMKNSEASA-N 440.521 3.087 0 3 IGAF CCO[C@@H]1OC(C(=O)NCc2ccccc2)=C[C@H](c2ccc3c(c2)OCO3)[C@H]1CCCO 13118618 UIKKXOQTYWGZBS-UMEGOILYSA-N 439.508 3.481 0 3 IGAF CCOc1cc(N(C)C)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 29210619 CRZLISBEGWWGET-SFHVURJKSA-N 431.964 3.436 0 1 IGAF O=c1ccc(-n2ccnc2)nn1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 40423860 AQFHIZYLJBPOKQ-UHFFFAOYSA-N 446.477 3.050 0 1 IGAF in-vitro CC1(C)c2[nH]nc(NC(=O)c3ccc(F)cc3)c2CN1C(=O)C1CCN(C2CC2)CC1 45392142 VBWXQPUACHCVRW-UHFFFAOYSA-N 425.508 3.253 0 1 IGAF COc1cc(-c2cnc(N)c(N3CC[C@@H](C(=O)O)C[C@H]3C(C)C)n2)cc(OC)c1OC 64436831 HUMDHAUOLYSYKZ-CJNGLKHVSA-N 430.505 3.077 0 1 IGAF COC(=O)N(C)C[C@@H]1OCc2ccccc2-c2ccccc2C(=O)N([C@H](C)CO)C[C@@H]1C 95678615 CPFCVXYAQBATNY-IXFSTUDKSA-N 440.540 3.410 0 1 IGAF CCOc1ccc2ccccc2c1C(=O)N1C[C@@H]2[C@@H](C1)CN2c1nc(OC)cc(OC)n1 116826461 MWACBRSAFUHLQD-FUHWJXTLSA-N 434.496 3.007 0 1 IGAF O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1 166654122 ZMLATDHWOKCCNN-JTHBVZDNSA-N 436.475 3.403 0 1 IGAF O=C1C(=O)N(CCCn2ccnc2)[C@H](c2cccnc2)[C@@H]1C(=O)c1cc2ccccc2o1 169687635 UFGHSQNHTOJURM-NHCUHLMSSA-N 428.448 3.066 0 1 IGAF Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(N3CC(F)(F)C3)n2)n1 223518200 ZGPPSLPFJFUBME-HUUCEWRRSA-N 436.470 3.287 0 1 IGAF CCCc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cnn1-c1cccnc1 299863644 LHASLFVOQBHQCR-UHFFFAOYSA-N 427.530 3.031 0 1 IGAF COc1cc2c3c(c1)O[C@@H](c1cnc(N4CCN(CC(F)(F)F)CC4)s1)[C@@H](C2)C3=O 587420640 LLDSZPCNVOCLNO-SCLBCKFNSA-N 439.459 3.325 0 1 IGAF COC(=O)C1CCN(C(=O)C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC1 587765490 CQKCWHYZSCFVQS-FKIZINRSSA-N 441.341 3.139 0 1 IGAF COC(=O)[C@]1(c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962637171 QTYAHBBAFBDJNZ-SCLBCKFNSA-N 429.778 3.254 0 1 IGAF C[C@]1(Nc2cnc(C(F)(F)F)cn2)CCC[C@H]1NC(=O)c1ccccc1-n1nccn1 1772617567 HMHQKDBOHKCIIS-BEFAXECRSA-N 431.422 3.229 0 1 IGAF C[C@H]1CN(c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4ccccc4)cc3)c2)C[C@@H](C)O1 1772621445 ULBSUSINAPHDBL-NXMSCROESA-N 446.551 3.408 0 1 IGAF Cc1c(CCN2CCc3c(cnn3-c3ccc4c(c3)COC4=O)C2)ccc2c1COC2=O 1772627249 XEBOQWLKJOOHRT-UHFFFAOYSA-N 429.476 3.122 0 1 IGAF CC(=O)NC[C@H]1CN(c2ccc(N3CCC(NCc4ccccc4)CC3)c(F)c2)C(=O)O1 1857589597 PGQNIESHTYNEKE-NRFANRHFSA-N 440.519 3.046 0 1 IGAF C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CCN1C(=O)CC1CCCC1 61903874 MVQGJQVOXOYRMZ-SFHVURJKSA-N 432.464 3.082 0 3 IGAF CC(C)CNc1ncnc2c1ncn2[C@H]1CN(Cc2cccc3ccccc23)C[C@@H](CO)O1 61904997 ACSBDKNWPYTXGO-RBBKRZOGSA-N 446.555 3.439 0 3 IGAF CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 4045628 QCCHSNJNPMAMIL-FYYLOGMGSA-N 439.556 3.378 0 1 IGAF COc1cc(NC(=O)[C@H](OC(=O)CNC(=O)c2ccccc2)c2ccccc2)cc(OC)c1 13831774 BQXZYRKURCQDOT-HSZRJFAPSA-N 448.475 3.357 0 1 IGAF Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCC(N(C)C[C@@H]4CCCO4)CC3)c2)on1 20580774 XJEYXURXTSAGML-FQEVSTJZSA-N 433.574 3.222 0 1 IGAF CC(C)Cn1c(-c2ccc(P(=O)(O)O)o2)nc2c(N)c(F)cc(Br)c21 45299474 YXKXJQUMLFQSLP-UHFFFAOYSA-N 432.186 3.239 0 1 IGAF COc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1NC1CCNCC1 58502010 UVZIZCQIVUQIAD-UHFFFAOYSA-N 440.363 3.422 0 1 IGAF COc1ccccc1N1CCN(CCN2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 72172266 MMECQTDYKMGZFE-UHFFFAOYSA-N 441.959 3.403 0 1 IGAF CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cc(Cl)cc4[nH]ccc34)n2)CC1 95583073 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CC(C)=C[C@@H]1O[C@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@]3(O)[C@H](C)CC[C@@H]3[C@@H](C)[C@@]12O 2356406339 UFFWLVBPDWIHBR-BDSBWFPPSA-N 432.557 3.105 0 1 IGAF Cc1c(C(=O)N2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CCOCC3)cc12 3047641 COACEXIOFBENHB-UHFFFAOYSA-N 440.521 3.355 0 3 IGAF CN(C)c1ccc(C2=NO[C@H](c3ccoc3)[C@H]2C(=O)N[C@H](CO)Cc2ccccc2)cc1 4045230 JOFHNBAQQSFJQI-ODGPQVTHSA-N 433.508 3.157 0 1 IGAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4076988 GSXXCAFBWLEOIG-WEYGHZABSA-N 441.915 3.177 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)NCc2ccccc2N)N(C(=O)c2cccnc2SC)C1 4209508 LDHZSIWNGSRLGM-YLJYHZDGSA-N 442.585 3.102 0 1 IGAF C[C@H]1CN(C(=O)N2Cc3c(C(=O)OC(C)(C)C)ncn3-c3ccccc32)C[C@@H](C)N1C 13795928 HMHDJXDCRLVTJQ-IYBDPMFKSA-N 425.533 3.292 0 1 IGAF COCCCNC(=O)C1CCN(c2nnc(C)c3c(C)n(-c4ccc(C)cc4)nc23)CC1 20564327 FCHBJMDYEOEZJM-UHFFFAOYSA-N 436.560 3.110 0 1 IGAF O=C(O)c1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1 28817869 WBJINALOSAXWSN-INIZCTEOSA-N 443.308 3.483 0 1 IGAF CN(N)C/C=C/C(=O)Nc1cc2c(Nc3cccc(Br)c3)ccnc2cn1 40392584 FHJYOQCADPXZHS-ZZXKWVIFSA-N 427.306 3.436 0 1 IGAF O=S(=O)(N[C@@H]1CCN(CCOc2cccc3c2CCCC3)C1)c1cc(F)ccc1F 95574343 QHVDRXNWAMTCNP-GOSISDBHSA-N 436.524 3.275 0 1 IGAF O=C(NC1CCCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO 95797375 IKXDXEPDXROJHG-AOHZBQACSA-N 437.515 3.116 0 1 IGAF C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2c(cccc2N(C)C)C1=O 95848529 GITVYJRSHAAVMX-SELNLUPBSA-N 425.573 3.105 0 1 IGAF COc1cc2c(cc1OC)[C@@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@]13[C@H]1[C@H]2OC[C@H]13 100767337 UKKISEARMRFGRE-LEUNEKCPSA-N 426.465 3.321 0 1 IGAF CCOC(=O)[C@H]1c2ncn(-c3cnccn3)c2CCN1C(=O)c1cccc(Cl)c1Cl 218359364 KFZINDCKRWCNHB-GOSISDBHSA-N 446.294 3.272 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(OC[C@H]4CC4(F)F)cn3)C2)cc1 221187396 XUSNQLOIFQAKMA-POZUXBRTSA-N 432.471 3.365 0 1 IGAF COc1cncc(N2CCc3nc(NC(=O)NCCc4cn(C(C)C)cn4)sc3C2)c1 473134809 IFZMBCZCFFLBPS-UHFFFAOYSA-N 441.561 3.251 0 1 IGAF 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Cc1cc(C)c2c(c1)CO[P@](=O)(OC[C@@H]1CC[C@H](n3cnc4c(N)ncnc43)O1)O2 32017115 KUVGHHLFOMVIIJ-GPFSCIFPSA-N 431.389 3.437 0 1 IGAF O=C(Cc1ccccc1)NCc1ccc(-c2nc(C(=O)N3CCC(CO)CC3)co2)cc1 40567251 VBWJJXMEOHFNFS-UHFFFAOYSA-N 433.508 3.045 0 1 IGAF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(c2ccccc2)CC1 40950507 WGVIOAKACLGRAF-XZOQPEGZSA-N 425.573 3.306 0 1 IGAF C[C@@H](CN1CCC(n2c(=O)[nH]c3ccc(F)cc32)CC1)NC(=O)[C@@H]1C[C@H]1c1ccccc1 40957416 KDXXOETZZWRJCY-ORYQWCPZSA-N 436.531 3.414 0 1 IGAF OCc1cc([C@@H](O)CNCCCCCCOCCOCc2cccc(O)c2)ccc1O 49113212 ZXQRIBVIRUROHJ-DEOSSOPVSA-N 433.545 3.007 0 1 IGAF CNc1nc(Nc2cc(Cl)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F 95579155 XBDDUCQHWPYBCN-UHFFFAOYSA-N 445.829 3.415 0 1 IGAF CCOC(=O)[C@]1(C(=O)NCCc2ccccc2F)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95593652 RGEJLLUAOKLHFK-BXKMTCNYSA-N 445.487 3.247 0 1 IGAF CN(C)c1cc[n+](Cc2ccc(-c3ccc(Cn4cnc(N)c5ncnc4-5)cc3)cc2)cc1 102947691 YZNBHTPOBJOYMF-UHFFFAOYSA-N 436.543 3.477 0 1 IGAF in-vitro Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)cc31)CCNCC2 115010704 YKDZHMFKLIFINC-UHFFFAOYSA-N 436.462 3.270 0 1 IGAF Cc1nc2c(nc1-c1cc3nc(N4CCCC4)cc(NC4CCOCC4)n3n1)CCCO2 199082135 HCGSDGOVQYHXBB-UHFFFAOYSA-N 435.532 3.011 0 1 IGAF CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1cccc(F)c1 199682690 FWLGKXSTJRFQRI-DNQXCXABSA-N 446.588 3.394 0 1 IGAF Cc1cc(C)c(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-c3ncon3)c2)c1 222117515 WBUINJWSFUWINW-HXUWFJFHSA-N 444.495 3.018 0 1 IGAF C[C@@H]1Cc2c(nnn2-c2ncc(F)cn2)CN1C(=O)c1ccc(F)c(Cl)c1Cl 225976165 RQNOKYYZRBQCHR-MRVPVSSYSA-N 425.226 3.229 0 1 IGAF CCCCC(=O)c1c(C)nn(CCCN2CCN(c3ccc(C)cc3)CC2)c(=O)c1N 473113428 HCMLKTGPJSGAQL-UHFFFAOYSA-N 425.577 3.028 0 1 IGAF CCOC(=O)C(C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(=O)OCC 587800215 VZIDANWQHWCEOO-WYRIXSBYSA-N 430.314 3.470 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCN(S(=O)(=O)C3CC3)CC2)N1 587839351 GOIMAFCPFJFBKJ-ADLMAVQZSA-N 431.371 3.368 0 1 IGAF COC(=O)c1cc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2N)co1 963160814 UIFBLSMGMJTQDT-JOCHJYFZSA-N 436.464 3.454 0 1 IGAF COc1cccc(C=O)c1OCc1cn(CCCOc2ccc3ccc(=O)oc3c2)nn1 1857545401 QDPVNCKQVAYUAJ-UHFFFAOYSA-N 435.436 3.254 0 1 IGAF COc1cc(OC)c(-c2cn3ccc(N4CCN(C(=O)C5CC5)CC4)nc3n2)cc1Cl 1857584129 PJQLFQMKXXGKBU-UHFFFAOYSA-N 441.919 3.126 0 1 IGAF CC1=C[C@H](CNC(=O)COCC(=O)O)[C@@H](C(C)C)C[C@@H]1Cc1nc2cccc(C)c2[nH]1 2356285969 DMRPFADSWPITAR-GUDVDZBRSA-N 427.545 3.486 0 1 IGAF C[C@H](C(=O)NC1CC1)[C@@H]1CC[C@]2(C)Cc3sc(NC(=O)C4CC4)nc3[C@H](C)[C@@H]2[C@H]1O 2356311199 TZORYCDCGGFZOH-QXQQVAAYSA-N 431.602 3.459 0 1 IGAF COC(=O)[C@@H]1Cc2c(OC)cc(OC)c(OC)c2-c2cc3c(cc2C[C@H]1OC)OCO3 40895831 PSZQHRCYUYZKHC-HZPDHXFCSA-N 430.453 3.011 0 1 IGAF biogenic N=C1S/C(=C\c2c[nH]nc2-c2ccc(N3CCOCC3)cc2)C(=O)N1c1nccs1 40917864 RATMVNPIJSMPMI-SKCGTWTRSA-N 438.538 3.425 0 1 IGAF CC[C@@H]1/C(=C/c2cccc(C(F)(F)F)c2)[n+]2cccc(OCC(=O)O)c2[C-]1CC(N)=O 53650918 FPFLRSLQHBTVQP-HAKPAVFJSA-N 434.414 3.292 0 1 IGAF Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NC[C@@H](O)c4ccccc4)cc[nH]c3=O)nc12 63539560 WBQBMMMQJSJEJT-OAQYLSRUSA-N 445.523 3.209 0 1 IGAF O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCCC1CCOCC1 95555757 FGYBNLZPMWKPLW-QHCPKHFHSA-N 446.551 3.393 0 1 IGAF COc1cccc(OC)c1-c1cnnc(N(CC(=O)O)Cc2nc3ccccc3s2)n1 95583824 QCKKLVPYSXAAMR-UHFFFAOYSA-N 437.481 3.257 0 1 IGAF C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(C3=CCCC3)cc2O[C@H]1CN(C)CC1CC1 95702410 NFGXEGSNUQWLDG-IXFSTUDKSA-N 448.629 3.364 0 1 IGAF O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 102458917 UFUSJNCXBKQYCU-OWCLPIDISA-N 430.492 3.365 0 1 IGAF CCOC(=O)C(C)(C)N1C(=O)[C@@H](C)Oc2cc(F)c(N3C(=O)C4=C(CCCC4)C3=O)cc21 103176042 YSMSBKVANVDVGC-GFCCVEGCSA-N 444.459 3.025 0 1 IGAF N[C@H](C(=O)N1CCSC1)[C@H]1CC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 103228809 ANMYGYZKOMNFMD-ZENOOKHLSA-N 446.495 3.126 0 1 IGAF CNc1cc(C(=O)Nc2cccc(CNc3ncnc4c(C(N)=O)cccc34)c2)ccn1 166950071 MPLYXIRRQBHUMZ-UHFFFAOYSA-N 427.468 3.030 0 1 IGAF Cn1ncc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H](Nc2cc(=O)[nH]c4ccc(F)cc24)C3)c1Cl 169351303 DEXGSLSWBLWDTO-ZSOGYDGISA-N 429.883 3.302 0 1 IGAF CCOC(=O)Cc1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 586945226 BNLRXMMZKXZGKR-UHFFFAOYSA-N 445.522 3.469 0 1 IGAF CN(C)S(=O)(=O)c1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c1 587204000 TUOXVOZNPIGWNZ-UHFFFAOYSA-N 443.529 3.330 0 1 IGAF CCOC(=O)[C@]1(c2csc(N)n2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587370780 BEZYLTYUGFPBPK-DYESRHJHSA-N 428.441 3.388 0 1 IGAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1COC(C)=O)[C@@H](C2)C3=O 587435536 GFTKRNZLBQESJE-WSZRMNBISA-N 431.485 3.002 0 1 IGAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CC(=O)C(F)(F)F)(c3cccnc3)N12 962665942 LPXMEUJUHBPUHL-YADHBBJMSA-N 443.425 3.494 0 1 IGAF COc1cccc([C@]2(c3ccc(OC)c(OC)c3)N[C@H](C(=O)O)Cc3cccc(F)c32)n1 962889988 AFOPFZWJMOARSO-XDHUDOTRSA-N 438.455 3.137 0 1 IGAF Cc1cc(C)c([C@@]2(c3ccccc3)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1C 963206650 PYOHAHQXBMDLJS-WCYRKSIYSA-N 440.547 3.385 0 1 IGAF CN1CCN(CCCOc2cccc([C@@H]3NCC(C)(C)c4cc5c(cc43)OCO5)c2)CC1 963391700 XCICBQJJBCGRQO-VWLOTQADSA-N 437.584 3.402 0 1 IGAF Cc1cc2c(cc1O)[C@@](c1cnn(Cc3ccccc3)c1)(C(F)(F)F)N[C@H](C(=O)O)C2 963472125 OZTCRRABLONHSV-RXVVDRJESA-N 431.414 3.350 0 1 IGAF CCC(CC)CCN1CC[C@@H](CNC(=O)/C=C/c2ccc(Cl)cc2)N[C@@H](CCN)C1=O 1772651943 DZNLSYQLXFYNOD-JCYLEMFHSA-N 449.039 3.204 0 1 IGAF COc1cc2nc(N3CCN(C(=O)C(C)(C)C)[C@H]4CCCC[C@H]43)[nH]c(=N)c2cc1OC 1857636999 HEMORBXXFYODCC-DLBZAZTESA-N 427.549 3.065 0 1 IGAF CC1=C(C)[C@H](O)[C@H]2C=CC[C@@H](C)C(=O)[C@@H](C)C=C[C@@H](O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]13 2356335900 GTEZBGQXBNUKSD-FGPPAJQXSA-N 449.591 3.376 0 1 IGAF O=C(c1ccc(C(F)(F)F)cc1)N1CC2(CN(Cc3ccccc3)C[C@H]3COCCN32)C1 2356611316 SAYWMEBMOMTVTL-NRFANRHFSA-N 445.485 3.117 0 1 IGAF Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)N3CCOCC3)c3nnnn3c12 1376783 JMTNEKOUVZBVMY-UHFFFAOYSA-N 434.475 3.179 0 3 IGAF COc1ccc(CN2C(=O)c3ccccc3[C@H]2c2nnnn2Cc2ccccc2)cc1OC 95600827 AJRZZUXPGWOPID-QHCPKHFHSA-N 441.491 3.484 0 3 IGAF O=C(O)C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)CCc1ccc(-c2ccccc2)cc1 13797875 XTRJAENNSAJIAU-HSZRJFAPSA-N 449.528 3.307 0 1 IGAF COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)[C@H](O)[C@H]3COC[C@H]23)cc(OC)c1OC 15161067 LFNWRGIHYDICIR-XBKQCJCOSA-N 446.496 3.180 0 1 IGAF biogenic CC(C)n1cnc2c(NCCCCCCNC(=O)OC(C)(C)C)nc(NCCO)nc21 35212807 OXQIKGQQLYDQBM-UHFFFAOYSA-N 435.573 3.308 0 1 IGAF Cc1ccccc1NC(=O)Nc1cc2ccccc2cc1C(=O)N[C@@H](CC(=O)O)C(=O)O 40892437 LBJYXJXBQCTSHC-IBGZPJMESA-N 435.436 3.450 0 1 IGAF NS(=O)(=O)c1ccc(CCNc2ccnc(NCCc3ccc(Cl)cc3)n2)cc1 71318505 UBWIYHMTQBCTLZ-UHFFFAOYSA-N 431.949 3.087 0 1 IGAF O=C([C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1)N1CCNCC1 72177506 VWEZJTHPKBQXNE-WZONZLPQSA-N 441.535 3.072 0 1 IGAF CCN1CCN(C[C@H](O)COc2ccc(F)cc2C(=O)CCc2ccc(F)cc2)CC1 73161239 FPRBKWVBYRWHMW-NRFANRHFSA-N 432.511 3.158 0 1 IGAF COCCNC(=O)c1cnc(NCc2c(OC)cccc2OC)nc1-c1ccc(F)cc1 82141447 YZVZRFASRPASMN-UHFFFAOYSA-N 440.475 3.288 0 1 IGAF CC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3ccccc3F)cc2)C12CN(CC1CCOCC1)C2 95796519 IZJRUFXUXJSKKQ-JWQCQUIFSA-N 438.543 3.280 0 1 IGAF O=C(c1cccnc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)Nc1ccccc1F 95894399 UJQJKWBKKDGWKR-VSKRKVRLSA-N 432.455 3.242 0 1 IGAF N[C@H]1C[C@H]1c1ccc(OCC[C@@H](NC(=O)c2ccc(O)cc2)C(=O)Nc2ccccc2)cc1 103230204 MZQZUCSIMIFCIC-KMDXXIMOSA-N 445.519 3.413 0 1 IGAF Cc1cc(-c2cnc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4[C@@H](C)O)n3)cn2)ccc1F 221664531 HPYOOSCRXHFCAE-IQUTYRLHSA-N 438.463 3.260 0 1 IGAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(N)=O)cc2[nH]1 586938422 VOPQAAOVXQQICH-MRXNPFEDSA-N 432.571 3.051 0 1 IGAF Cc1c(Br)ccc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 586942008 FVEHNXUPRNYRMS-UHFFFAOYSA-N 429.727 3.203 0 1 IGAF CCOC(=O)C[C@@]1([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 587397243 YPCOFBJGFIBSMO-NPMXOYFQSA-N 432.517 3.491 0 1 IGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C(=O)OC)CN(C(=O)OC(C)(C)C)C1 587473955 AVBPCPYDZMEDPO-LFVRLGFBSA-N 433.501 3.479 0 1 IGAF CNS(=O)(=O)c1sccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587838110 BFJANFFNKLEBOT-JDNHERCYSA-N 433.368 3.356 0 1 IGAF CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23[C@H](O)C=C[C@H](C)C(=O)[C@@H](C)CC=C[C@H]3[C@@H]1O 1857743228 GTEZBGQXBNUKSD-FJXGWLIGSA-N 449.591 3.376 0 1 IGAF Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)C(C)(C)C)c2=O)cc1 8593956 IFSLITJNFPNTSW-UHFFFAOYSA-N 449.551 3.183 0 1 IGAF CCn1cnc2cc3c(N4CCN(C(=S)NCc5ccccc5)CC4)ncnc3cc21 13528808 RBLRKFMYMTVDTI-UHFFFAOYSA-N 431.569 3.196 0 1 IGAF COc1cccc(CNc2c3n(c(=O)n(Cc4ccc(F)cc4)c2=O)C[C@@H](C(C)C)N3)c1 82206329 VUNHRRZBCHZDDL-FQEVSTJZSA-N 438.503 3.268 0 1 IGAF O=C(Nc1c2n(c(=O)n(CC3CCCCC3)c1=O)[C@@H](c1ccccc1)CN2)c1ccco1 82210183 SFFGSEGMYMOISN-GOSISDBHSA-N 434.496 3.451 0 1 IGAF CC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](c1ccccc1)CN2 82210307 XZPNBUVARLKIMP-OAQYLSRUSA-N 426.476 3.185 0 1 IGAF CCCOc1ccc([C@@H]2[C@@H](C(=O)c3ccco3)C(=O)C(=O)N2CCCn2ccnc2)cc1 169687254 IZGJFVXJTPUZPD-LEWJYISDSA-N 435.480 3.307 0 1 IGAF COCCOc1ncccc1[C@@H]1[C@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169696355 VVUKDICEGXZZHS-RTBURBONSA-N 442.537 3.327 0 1 IGAF CN1C(N)=N[C@](C)(c2sc(-c3cccc(-n4cccn4)c3)cc2Cl)CS1(=O)=O 219600993 ZDSCTCSNPPYHDT-SFHVURJKSA-N 435.962 3.059 0 1 IGAF CCN(CC)S(=O)(=O)c1cccc(-c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c1 586931199 YLCSIDLNXAUECK-UHFFFAOYSA-N 427.574 3.012 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(N)nc3)c(=O)c3ccccc23)c(O)c1 587666005 WVCMIDNJXYOQSE-UHFFFAOYSA-N 429.480 3.281 0 1 IGAF O[C@](Cn1cncn1)(Cn1cnc(SCc2ccccc2)n1)c1ccc(F)cc1F 1857548278 HZDRXSABNSGBCW-HXUWFJFHSA-N 428.468 3.028 0 1 IGAF Cn1ccnc1CN1CC[C@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1c1cccs1 2356423384 XFCLCGVSTDZSPJ-URVUXULASA-N 428.533 3.117 0 1 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccsc2)[C@@H]1C(=O)N[C@@H]1CCCCNC1=O 771701 QYBBOYVJOOSRBJ-POAQFYNOSA-N 427.526 3.024 0 1 IGAF CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCCOC)cc1 4041960 IAQAWJHWEVIIPW-JTHBVZDNSA-N 425.529 3.396 0 1 IGAF CCCCCCC1=NO[C@@H](c2ccc(OC)cc2OC)[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4310613 HWIQHEBIQPUVAD-RTFZILSDSA-N 445.560 3.455 0 1 IGAF Cc1ccccc1Cn1nnc2c(=O)[nH]c([C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)nc21 8611587 NOLAIFFHFWRPFY-SFHVURJKSA-N 446.486 3.030 0 1 IGAF COc1cc(OC)c(C[S@](=O)c2ncccc2C(=O)Nc2ccncc2)c(OC)c1 13605221 ICSDELHOOGLSSM-SSEXGKCCSA-N 427.482 3.063 0 1 IGAF COc1ccc2nccc(-n3cc4c(n3)CC[C@@H](NCc3ccc5c(c3)OCCO5)C4)c2n1 28817428 PUMMDKPFMQVVGY-GOSISDBHSA-N 443.507 3.242 0 1 IGAF O=C(O)COCCCCS(=O)(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 28871603 SLSUVNGPGBOVSA-UHFFFAOYSA-N 426.494 3.466 0 1 IGAF COCCN(CCOC)c1nc(C)nc2c(-c3cc(F)c(OC)cc3Cl)c(C)nn12 40938292 QZAWSGIHVOLHMR-UHFFFAOYSA-N 437.903 3.308 0 1 IGAF O=C(Nc1ncc(Br)s1)NS(=O)(=O)c1cccc(OC(F)(F)F)c1 45348471 VJVHUPIOHBGTKO-UHFFFAOYSA-N 446.226 3.315 0 1 IGAF CC[C@@H](O[C@H](CO)Cc1ccc(O)c(OC)c1)[C@@H](OC)c1cc(OC)c(O)c(OC)c1 71329571 IXDWWAKFBJRMEW-XAEMIUIASA-N 436.501 3.210 0 1 IGAF COc1ccc(-c2nc(Nc3cccc(NC(=O)N[C@@H]4CCNC4)c3)nc3[nH]cnc23)cc1 84634137 ZQTHVAUONMFJHH-QGZVFWFLSA-N 444.499 3.256 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CCN(C(=O)c2cccc(F)c2)CC1 95865127 IEQPVKMPJUEQKV-FQEVSTJZSA-N 437.515 3.137 0 1 IGAF CCOC(=O)C1=C[C@@H]2C(=O)c3cccnc3C(=O)[C@@H]2C(c2ccc(Br)cc2)=N1 100985880 UHBDWRSSIBRRKS-HOCLYGCPSA-N 439.265 3.405 0 1 IGAF CCO[C@H]1CC[C@@H](N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1 101448234 CVZMFXLZFUQQCZ-WKILWMFISA-N 439.482 3.142 0 1 IGAF COc1ccc2c(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)n[nH]c2c1 114360523 UZMIYWFXCMQIAN-UHFFFAOYSA-N 436.468 3.261 0 1 IGAF Cn1c2c(c3ccc(-n4ccc(OCc5ncc(F)cc5F)cc4=O)nc31)CNCCC2 115010461 YDCLNMDWUXIIEU-UHFFFAOYSA-N 437.450 3.012 0 1 IGAF CCOC(=O)[C@@H]1C(C)=NC(Cn2ccnc2)=C(C(=O)OC)[C@H]1c1ccccc1OC(F)F 169712711 OJUYVLVAOYMWCV-MSOLQXFVSA-N 447.438 3.349 0 1 IGAF COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3C)C[C@]21C 211228955 SMOPXQKRXWCZSD-WFOQEEKOSA-N 446.496 3.309 0 1 IGAF O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(CCO)cc2[nH]1)c1ccc(F)cc1 587170059 NHDGHVXCKLBWSS-OAQYLSRUSA-N 425.485 3.305 0 1 IGAF O=C(O)C1=COc2ccc(F)cc2[C@]12N[C@@H](C(=O)O)Cc1c(C(F)(F)F)cc(F)cc12 962718049 YILGZEAWGMYPBU-BEFAXECRSA-N 441.308 3.187 0 1 IGAF COC(=O)[C@@H]1CN(Cc2ccccc2)CC[C@]12NCCc1cnc3c(OC)cccc3c12 963042042 ZUHFMMWBMXAQPN-LVXARBLLSA-N 431.536 3.280 0 1 IGAF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](C[C@H]2COCCN2)(c2ccco2)N1 963179998 FOLYSOZZCLAXBS-UVIMBBFXSA-N 444.837 3.173 0 1 IGAF N=c1[nH]c2cc(-c3ccccc3)cc(-c3ccc(C(N)=O)cc3)c2c(=O)n1C[C@@H]1CCCO1 1857653216 YJVGGOHDMVXVFX-FQEVSTJZSA-N 440.503 3.421 0 1 IGAF CNC[C@@H]1CC[C@@H]2C[C@]34[C@H](O)[C@@H]5C=C[C@H]6C[C@@]5(C)C[C@@](O)(C6)[C@@H]3C[C@@]43CCC[C@@H]3[C@@H]2N1 2356686235 XUSOODGIZUATTI-UNPHEFFISA-N 426.645 3.237 0 1 IGAF C[C@H](C(=O)NCc1cccnc1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)C3CC3)[C@H](C)[C@@H]2[C@@H]1O 2356850924 QBWXDMRVQPJUSD-DGKQICLZSA-N 427.589 3.052 0 1 IGAF COCCNC(=O)c1c(CSc2ccc(F)cc2)noc1C(=O)NCc1ccccc1 8691393 VORRBGBKWZSHFA-UHFFFAOYSA-N 443.500 3.412 0 3 IGAF CN(Cc1nccs1)C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1 13636898 CQVJFMSLFQKXSW-OAQYLSRUSA-N 434.565 3.159 0 3 IGAF CC(=O)N1CCc2c1cccc2S(=O)(=O)N[C@H](CC(C)C)C(=O)Nc1ccccc1C 201468281 HZQPLWLBHJFWQU-HXUWFJFHSA-N 443.569 3.236 0 3 IGAF CCOc1cccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NC[C@H](O)CC)c1 4040751 GEBDCBMLGVPXIR-NWSQWKLXSA-N 425.529 3.130 0 1 IGAF CSC[C@@H](NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C)C(=O)O 24984951 UGMJOUAHVVYSRI-QGZVFWFLSA-N 427.478 3.080 0 1 IGAF biogenic CNc1nc2sc(-c3cccc(CNC(=O)c4csnn4)c3)nc2c2c1ncn2C 40953235 IXXYZROLDGZZKB-UHFFFAOYSA-N 436.526 3.068 0 1 IGAF COc1cccc(COC[C@@H](O)CN(CCc2ccccn2)C(=O)c2ccccc2F)c1 45189136 GYCALUMSSHGFLH-NRFANRHFSA-N 438.499 3.492 0 1 IGAF CN1CCc2nc(C(=O)Nc3ccccc3CNC(=O)c3cc(Cl)ccn3)sc2C1 66075994 ZCDCCJOGXXLQMK-UHFFFAOYSA-N 441.944 3.362 0 1 IGAF COc1cccc(NC(=O)N2CC3(C2)[C@@H](c2ccccc2)[C@@H](CO)N3C(=O)C2CCC2)c1 95794642 UVYXSZYAFYLLBC-YADHBBJMSA-N 435.524 3.069 0 1 IGAF O=S(=O)(c1cccc(F)c1)N1CC[C@@H]2[C@@H](CO)Nc3ccc(Br)cc3[C@@H]21 95878257 OOJQCAHERCLTRS-ZTFGCOKTSA-N 441.322 3.127 0 1 IGAF CCC[C@H]1C(=O)c2nc(CCCCN3N=C(c4ccccc4)CCC3=O)[nH]c2N(C)C1=O 100034465 TUHIFPLUYHLYRC-KRWDZBQOSA-N 435.528 3.335 0 1 IGAF COC1CCC2(CC1)Cc1ccc(-c3ccc(F)c(C#N)c3)cc1[C@@]21N=C(N)N(C)C1=O 142110875 NGDMMAMORNIVDN-GATLKJJBSA-N 432.499 3.478 0 1 IGAF Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2-c2cccnc2)n1 143070402 NUTNASHZLIJXDT-UHFFFAOYSA-N 437.511 3.227 0 1 IGAF COC(=O)[C@@H]1[C@@H](c2ccccc2)NC(=O)N(CCc2cc(OC)c(OC)c(OC)c2)[C@H]1C 169340890 AHKBLVRZDVXQIO-ONGXBYRLSA-N 442.512 3.199 0 1 IGAF COc1ccccc1NC(=O)c1c(N)cccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 205712942 RIVYRDRMWAQJKI-UHFFFAOYSA-N 427.438 3.271 0 1 IGAF Cc1ccc(-c2csc(Cn3nc(C[C@H]4OCC(=O)O4)c4ccccc4c3=O)n2)cc1 209640203 HHFXQKCTUFMCKK-QFIPXVFZSA-N 433.489 3.319 0 1 IGAF C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc3c(c2)OCCN3)c(F)c1 224710278 DSODKTGYNFIXOL-AWEZNQCLSA-N 443.500 3.018 0 1 IGAF COC(=O)c1ccccc1Cc1nc(Nc2cc(OC)c(OC)c(OC)c2)nc2nccn12 299854814 AKHBGUNLVCLWFF-UHFFFAOYSA-N 449.467 3.271 0 1 IGAF C[C@@H](Cc1ccccc1)Oc1ccc2c(c1)n1ncc(I)c1[nH][n+]2=O 377815869 HEKHEZLNSVIDEF-LBPRGKRZSA-N 447.256 3.345 0 1 IGAF NC(=O)C[C@]1(C(=O)O)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587332236 FQEAWWJRPJHCSO-WTIAFYNJSA-N 427.428 3.149 0 1 IGAF C[C@@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2ccc3cccnc3c2)C1 1772597264 YLPUWJSECBRKJS-HNNXBMFYSA-N 446.511 3.256 0 1 IGAF O=C1C[C@](O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3ncccc3C(F)(F)F)CC2)N1 1857547334 IXLLRJLWIJENTD-MRXNPFEDSA-N 449.355 3.300 0 1 IGAF O=C(O)c1c(O)c(NS(=O)(=O)c2cc(Br)ccc2O)cc(C2CC2)c1F 1857569861 LZQVQCAIOFNYFL-UHFFFAOYSA-N 446.250 3.376 0 1 IGAF CN1CCN(CCCN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc32)CC1 1857636165 ZYQFBUDBCMFSCE-FTJBHMTQSA-N 433.644 3.113 0 1 IGAF O=C(Nc1ccc(CP(=O)(O)O)cc1)C1CCN(C(=O)OCc2ccccc2)CC1 1857639750 FLUJIZLIVFPWIW-UHFFFAOYSA-N 432.413 3.352 0 1 IGAF Cn1ccc(-c2nc(=NC3CCC(F)(F)CC3)[nH]c(=NC3CCC(F)(F)CC3)[nH]2)n1 1857772371 QCQLUIVJCWNARE-UHFFFAOYSA-N 427.450 3.096 0 1 IGAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C(=O)Nc3cccc(F)c3)CC2)cs1 2356290152 KKXLAFLYMIVNCY-SFHVURJKSA-N 448.564 3.409 0 1 IGAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@H](C)[C@@]23C[C@](O)(COC2CCCC2)C(C(=O)O)=C3C1 2356821794 GETIHOHALFOBPO-WPAZBSNISA-N 445.604 3.134 0 1 IGAF C[C@H]1Cn2cc(C(=O)O)c(=O)c3cc(F)c(N4CCN(c5ccccn5)CC4)c(c32)S1 1913704 FBQXENVDKYZVBX-ZDUSSCGKSA-N 440.500 3.055 0 1 IGAF Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2nc(-c3cccnc3)no2)CC1 9405785 JRNYWTZSKVGDDQ-UHFFFAOYSA-N 440.935 3.036 0 1 IGAF O=c1c2ccccc2c(O)nn1CCCCN1CCN(c2nsc3ccccc23)CC1 13738138 FNQIJCGHUHTWLH-UHFFFAOYSA-N 435.553 3.314 0 1 IGAF CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1cccc2ccccc12 27866664 SCZHEDPIOVYWKV-XMMPIXPASA-N 442.563 3.445 0 1 IGAF COc1ccc(Nc2nccc(N3CC[C@H](NC(=O)c4cccc(NC(C)=O)c4)C3)n2)cc1 45230130 QRDNFVZGPFEZCY-FQEVSTJZSA-N 446.511 3.196 0 1 IGAF CN(C)CCCNS(=O)(=O)c1ccc(Nc2ncc3c(n2)-c2ccsc2CC3)cc1 49036900 QXKCVFCSUZQYJJ-UHFFFAOYSA-N 443.598 3.277 0 1 IGAF O=S(=O)(Cc1ccccc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72103728 ZUUCPPXJVOSKOT-JOCHJYFZSA-N 442.972 3.367 0 1 IGAF CCN(Cc1ccccc1)C(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccco1 82143118 PDOCTTZXWALXMI-UHFFFAOYSA-N 433.512 3.067 0 1 IGAF COCC(COC)n1cc(Br)nc(Nc2cc(C)c(OC)cc2C)c1=O 95553556 DCIRCIXQOQYKRB-UHFFFAOYSA-N 426.311 3.209 0 1 IGAF COc1ccc(-c2cc(NC(=O)CCCCCN3CCCN(C(C)=O)CC3)[nH]n2)cc1 95577539 UOQVYOAAKMRFAF-UHFFFAOYSA-N 427.549 3.138 0 1 IGAF O=C(C1CCOCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2Cc1ccc(Cl)cc1 95871831 JLFWYUZXXXGVIM-GOTSBHOMSA-N 440.971 3.308 0 1 IGAF CS(=O)(=O)c1ccc(-c2cccn3nc(Cc4cccc(N5CCOCC5)c4)nc23)cc1 96169553 GFVWWVSVTHVORW-UHFFFAOYSA-N 448.548 3.227 0 1 IGAF Nc1ccc(-c2cnc(NC(=O)CN(Cc3ccccc3)C(=O)c3ccncc3)s2)cn1 96272401 UQGXIBZKHFGPLN-UHFFFAOYSA-N 444.520 3.463 0 1 IGAF COCCn1c(=O)nc(-c2ccc(NC(=O)[C@H](C)N(C)C)cc2)c2oc3ccccc3c21 103135387 RDMKROAACRJCPT-HNNXBMFYSA-N 434.496 3.345 0 1 IGAF COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CCCC5)cc4)C3)o2)cc1 113582894 WYFUMSGPZNMEEQ-UHFFFAOYSA-N 434.496 3.244 0 1 IGAF CC(C)(C)CCN1C(=O)[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C(=O)[C@@H]1C1CCCCC1 169719341 UGFDKPSLGUWJAE-OALUTQOASA-N 445.585 3.421 0 1 IGAF Cc1nnc2sc(C(=O)NCc3ccc(S(=O)(=O)C(C)(C)C)cc3)c(N)c2c1C 221819030 RQNPEXJVPMFVJT-UHFFFAOYSA-N 432.571 3.393 0 1 IGAF CC1(O)CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1 224418339 YKEORGNMVCKLCC-UHFFFAOYSA-N 445.401 3.261 0 1 IGAF COc1cc(-c2cc(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3o2)ccc1OC(C)=O 238733400 UQZVJUJZTYOZET-UHFFFAOYSA-N 426.377 3.245 0 1 IGAF O=C(c1ccc(O)cc1)C1C(=O)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1=O 299856225 CKBRWUXIMASXSK-UHFFFAOYSA-N 428.444 3.382 0 1 IGAF O=C(O)c1cc(F)cc2nc(CS(=O)(=O)Nc3ccc(N4CCCCC4)cc3)[nH]c12 586951484 WMSKCNFWUCRLBV-UHFFFAOYSA-N 432.477 3.332 0 1 IGAF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(-n4cnnn4)cc3[nH]2)C[C@@H]2CCCC[C@H]21 586959424 KMUZOEWYGYQFLS-RVHYNSKXSA-N 449.540 3.233 0 1 IGAF Cc1c(C(=O)c2c(CO)oc3cc(Br)cnc23)nnn1Cc1ccccc1 587276328 MLNXUMDQGKEOTM-UHFFFAOYSA-N 427.258 3.262 0 1 IGAF C[C@@]1(c2ccc(S(N)(=O)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587369362 GMVSSKHHXKVAEQ-UNMCSNQZSA-N 427.453 3.453 0 1 IGAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCOCC3)cc1S(C)(=O)=O)CC2=O 587488867 RZEKYMOWSOMLDG-OAQYLSRUSA-N 445.537 3.291 0 1 IGAF CN1CCN(S(=O)(=O)c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)CC1 587531153 FXGNWUQZPLGZOF-QHCPKHFHSA-N 440.565 3.208 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C2\NC(=O)CS2)(c2cccnc2)N1 587858254 POJHKSSJXBJSFB-STQKPAQJSA-N 434.334 3.465 0 1 IGAF CCOC(=O)C(=O)C[C@]1(c2cccnc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962719224 SUCXPVQZOJHOLI-HXOBKFHXSA-N 428.529 3.350 0 1 IGAF C[C@H](c1ccc(S(C)(=O)=O)cc1)[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962995769 OTUMIVQOYYNDOS-AHRODOEDSA-N 429.872 3.465 0 1 IGAF COc1ccccc1-n1cc(-c2ccccc2S(=O)(=O)c2ccc(C(=O)O)cc2)nn1 1857587737 GLXNSHDQOXMGDJ-UHFFFAOYSA-N 435.461 3.474 0 1 IGAF O=C(CCCCCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(O)c2ncccc12 1857601036 FHUWHICQBYOHBL-UHFFFAOYSA-N 439.493 3.284 0 1 IGAF CO[C@@H]1C[C@H](O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@]3(C)CCC(=O)[C@](C)(CO)[C@@H]3CC[C@]12C 2356478131 UONFZXULJHDDCK-JGHNFUPVSA-N 436.589 3.124 0 1 IGAF CCOC(=O)[C@@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@]12C 15935642 OFLUTENOCTXOII-OKFYXZINSA-N 436.464 3.165 0 3 IGAF CCOC(=O)N1CCC(N2Cc3cccc(C(=O)N4C[C@@H](C)C[C@@H](C)C4)c3C2=O)CC1 18118242 HSUVXHUKZJJVAT-CALCHBBNSA-N 427.545 3.381 0 3 IGAF C[C@H](C(=O)NCc1ccccc1)C(=O)N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21 3963115 VRYUYXCAJGNNHF-HXOBKFHXSA-N 427.504 3.440 0 1 IGAF CC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCOCC2=O)cc1 13553977 LCQPWZBJVYXVRQ-GOSISDBHSA-N 430.892 3.242 0 1 IGAF COc1cc2c(cc1OC)C(=O)N([C@@H]1CCCN(CCCOc3ccc(O)cc3)C1)CC2 13558948 NXFMRYWPEDWXSN-LJQANCHMSA-N 440.540 3.341 0 1 IGAF COc1ccccc1N1CCN(CCCNC(=O)[C@@H]2CCCc3cccc(OC)c32)CC1 28762833 FQRDAWJJGHRRCG-OAQYLSRUSA-N 437.584 3.452 0 1 IGAF COC(=O)CCN1C(=O)S/C(=C\c2ccc(-c3ccc(O)c(C(=O)OC)c3)o2)C1=O 29044124 JHSFKQKKUQGYKY-YBEGLDIGSA-N 431.422 3.038 0 1 IGAF COc1ccc([C@@H](O)CO[C@]2(c3ccccc3)c3ccccc3C(=O)N2CCCO)cc1 35064386 ZNAMHLZEYQNLAS-AZGAKELHSA-N 433.504 3.485 0 1 IGAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C[C@@H](O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 45495146 RIJQQQOGGXBOKH-KONHKZQNSA-N 439.574 3.054 0 1 IGAF COc1ccc(C(=O)N2CCc3c(c(=O)[nH]c4c3c(Cc3cccs3)nn4C)C2)cc1 82196032 ZWAXZRBZBKJTDB-UHFFFAOYSA-N 434.521 3.121 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](CO)[C@@H](C)CC 82197082 QQQQLTKCRKONKD-REXCQAETSA-N 430.589 3.095 0 1 IGAF COC(=O)[C@@]1(c2ccccc2)N[C@H](c2cccs2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 169293804 QBTIXQCPRPBTAH-FIXDAVPBSA-N 432.501 3.267 0 1 IGAF COCCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2ccccc2OC)CC3)cn1 169702323 IZJZITJVRVPOTL-UHFFFAOYSA-N 445.527 3.162 0 1 IGAF CCN(Cc1ccccc1C)C(=O)C1CCN(S(=O)(=O)c2ccc3cn[nH]c3c2)CC1 204961976 HZQJDXYYDLHWNM-UHFFFAOYSA-N 440.569 3.321 0 1 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CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587593432 DEASCHMLMZJEDU-NFHUAXAMSA-N 428.437 3.245 0 1 IGAF CNC(=O)c1ccc(Nc2nc3[nH]ccc3c(=Nc3ccccc3P(C)(C)=O)[nH]2)cc1 1857566153 CVUXKNDZDDMYEV-UHFFFAOYSA-N 434.440 3.475 0 1 IGAF COc1ccc2nc(Nc3ccnc(Nc4ccc(S(N)(=O)=O)cc4)n3)sc2c1 1857566402 LPHSDDUINPPOCB-UHFFFAOYSA-N 428.499 3.230 0 1 IGAF COc1ccc(-c2cc(Nc3cc(O)cc(O)c3C(=O)N3Cc4c[nH]nc4C3)n(C)n2)cc1 1857595347 PIUYNTYLODPPOU-UHFFFAOYSA-N 446.467 3.130 0 1 IGAF COC(=O)c1nnn(Cc2cn(-c3ccccc3)nc2-c2ccc(C)cc2)c1C(=O)OC 1857754492 CFLYPUBDLGMUQS-UHFFFAOYSA-N 431.452 3.061 0 1 IGAF CC(C)=CCc1c(O)ccc2c3c([nH]c12)C(C)(C)[C@H]1C[C@@]24CCCN2C(=O)[C@@]1(NC4=O)C3=O 2356801086 RIFODAONFGZZCG-KBEBOQJUSA-N 447.535 3.106 0 1 IGAF O=C(Cc1c(C(=O)O)[nH]c2ccccc12)NCCN1CCN(c2cccc(Cl)c2)CC1 4057749 VIDRNYZGJGFGQK-UHFFFAOYSA-N 440.931 3.000 0 3 IGAF CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NCc1ccccc1)C(=O)OCc1ccccc1 15953072 FBBKSODBIBNBSX-FQEVSTJZSA-N 448.523 3.228 0 3 IGAF O=C1c2ccccc2[C@@H](c2nnnn2Cc2ccccc2)N1Cc1ccc2c(c1)OCO2 95568260 KQPUPHIDMIVDLF-QFIPXVFZSA-N 425.448 3.196 0 3 IGAF CCOc1ccccc1C1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)NCCOCCO 4152523 CLDRQDDZFLIAFD-UKILVPOCSA-N 448.519 3.455 0 1 IGAF C=C(C)[C@H]1Cc2c(ccc(C(=O)O)c2O[C@H]2COc3cc(OC)c(OC)cc3C2=O)O1 14688494 PIQZKVNWXMPJLU-UZLBHIALSA-N 426.421 3.304 0 1 IGAF biogenic COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(C5CCCC5)n4)CO[C@@H]23)cc1 25432994 JEMPJNXHDIVEEN-BQJUDKOJSA-N 440.500 3.338 0 1 IGAF biogenic Cn1c(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc2cc(Br)cnc21 26819663 WJZRMYZKBUVZEH-CQSZACIVSA-N 447.314 3.204 0 1 IGAF Cc1ccccc1N1CCN(C[C@H](O)c2ccc(O)c(C(=O)NCC(C)(C)C)c2)CC1 27074485 MTCMWLZKYJYVBZ-QHCPKHFHSA-N 425.573 3.332 0 1 IGAF COc1c(N2CC[C@@H](CN(C)C)C2)c(F)cc2c(=O)c3c(O)nsc3n(C3CC3)c12 34946346 FCEIZUFYTSCAFC-NSHDSACASA-N 432.521 3.187 0 1 IGAF O[C@H]1CCN(Cc2cccc(Br)c2)C[C@H]1N1CCN(c2ccccc2)CC1 38156626 KTOAHCJQSOZXQM-YADHBBJMSA-N 430.390 3.207 0 1 IGAF CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)cc1Cl 43080303 HXVOYGOCHIJTQY-UHFFFAOYSA-N 449.400 3.352 0 1 IGAF Cn1nccc1-c1cc(NC(=O)c2ccc(F)c(F)c2)ccc1OCCN1CCOCC1 49111385 JFDDZUJAURQELQ-UHFFFAOYSA-N 442.466 3.329 0 1 IGAF COc1ccccc1C(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccc1 95893855 WKLKXIDABFQCTN-UMFSSWHCSA-N 442.515 3.254 0 1 IGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4ccc5ccccc5c4-n4nccn4)C[C@H]3C2)n1 116828140 ZQBRHQPBVCQLQD-BGYRXZFFSA-N 439.523 3.036 0 1 IGAF Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)n([C@@H]3CCOC3)n2)cc1C(F)(F)F 146438489 DGDGTDFLDCETQL-OAHLLOKOSA-N 437.466 3.086 0 1 IGAF COCCOC(=O)C1=C(C)N=C(C)[C@H](C(=O)OCCOC)[C@H]1/C=C/c1ccccc1OC 169691265 HYMYCQDHJAFMQD-HZVYYCNASA-N 445.512 3.069 0 1 IGAF COC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C4=CC(=O)OC4)[C@@H](O)C[C@@]32O)C1 195094668 HLVMTJOTGLNNPR-RDAGDLAXSA-N 448.556 3.366 0 1 IGAF COC(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2n1 587156934 CMYCVXQSJAOXQA-UHFFFAOYSA-N 446.236 3.481 0 1 IGAF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2c[nH]c3ncc(Br)nc23)N1 962971025 SBEVBYCUELZNQA-ZANVPECISA-N 443.635 3.340 0 1 IGAF Cn1cc(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4ccccc4)c(F)c3)c2)cn1 1772599728 CODCIZPMFBWCQO-JOCHJYFZSA-N 431.471 3.334 0 1 IGAF NS(=O)(=O)c1cc(NC(=O)Cc2ccccc2Cl)ccc1OCc1ccccn1 1857541531 URKWSKFMZDDJLC-UHFFFAOYSA-N 431.901 3.143 0 1 IGAF COc1ccc(-c2ccc3[nH]cc(-c4nnco4)c(=NCCN4CCOCC4)c3c2)cc1 1857559402 ZULUSTSDTGRRFJ-UHFFFAOYSA-N 431.496 3.126 0 1 IGAF COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c([C@](C)(O)C3CC3)sc21 1857590194 FVZUSAQJMCBGOW-HSZRJFAPSA-N 428.554 3.040 0 1 IGAF COc1c(O)ccc(C[C@@H](CO)[C@@H](CO)c2cc(O)cc(O)c2)c1-c1ccc(O)cc1 2356421099 AAJUUUMILGODNM-UWJYYQICSA-N 426.465 3.112 0 1 IGAF CCOc1ccccc1-c1onc(-c2ccc(OC)cc2)c1C(=O)NCCOCCO 2480870 PGVOVSOPNJZTMY-UHFFFAOYSA-N 426.469 3.155 0 1 IGAF CN(CCNC(=O)c1ccc2c(c1)NC(=O)[C@H](N1CCCCC1)S2)Cc1ccccc1 2941255 YOCQBXJAMPKHBR-XMMPIXPASA-N 438.597 3.405 0 1 IGAF NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1cc(F)cc(F)c1 3937788 DFVFNTKDLMDYTJ-UHFFFAOYSA-N 440.454 3.046 0 1 IGAF CC(C)c1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOCCO)cc1 4039621 LXOLVVKRGYUFAM-ISKFKSNPSA-N 439.556 3.093 0 1 IGAF COc1cccc(C[C@]2(CCC(=O)N3CCC[C@H](C(=O)c4cccnc4)C3)CCC(=O)N2)c1 12244571 DPXDRXHITTVYQR-HFZDXXHNSA-N 449.551 3.183 0 1 IGAF CCOC(=O)c1cc(CCn2cnc3c2NC=NC[C@H]3O)c2c(c1OC(C)C)CCCC2 13861955 OPUDRWIUDPULFE-HXUWFJFHSA-N 440.544 3.456 0 1 IGAF C[C@@]1(c2ccccc2)NC(=O)N(CCCN2CCN(c3cccc(Cl)c3)CC2)C1=O 49116144 KYCKSTNLWKOHQH-QHCPKHFHSA-N 426.948 3.319 0 1 IGAF CN(C)c1ccc(C(=O)NC/C=C/CN2CCN(c3ccccc3OCCF)CC2)cc1 66112144 XRCDIXVHGJBKLI-AATRIKPKSA-N 440.563 3.209 0 1 IGAF COc1cc2nc(N3CCC(C)CC3)nc(NCCCN3CCCC3=O)c2cc1OC 82131198 ISLSFKZWOUBXHK-UHFFFAOYSA-N 427.549 3.308 0 1 IGAF COc1ccccc1CCNc1ncc(C(=O)N2CCOCC2)c(-c2ccccc2F)n1 82151463 GDJRJUULHZXQLY-UHFFFAOYSA-N 436.487 3.418 0 1 IGAF O=C(C1CCOCC1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2Cc1ccc(Cl)cc1 95668388 JLFWYUZXXXGVIM-XZOQPEGZSA-N 440.971 3.308 0 1 IGAF O=C(Nc1ccccc1F)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 95893569 XKMDMBLXMIZAOP-FDFHNCONSA-N 432.455 3.242 0 1 IGAF O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCC[C@H]2O)nc1C1CCCC1 101584714 YKQCVLCYKQLBRQ-AVJAGGFYSA-N 440.588 3.129 0 1 IGAF CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)[C@@H](C)OCCN3S(C)(=O)=O 149556741 JCAVFAXJSKCARJ-GFCCVEGCSA-N 432.473 3.456 0 1 IGAF CNC(=O)c1cc(F)ccc1CNC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1 261108244 HSKLZXCEBABPJS-UHFFFAOYSA-N 433.447 3.149 0 1 IGAF COC(=O)c1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2c1OC 587182256 NMJPUXIBFXIDMR-SECBINFHSA-N 440.241 3.077 0 1 IGAF C/C(=C\[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)NNC(N)=S 587704237 IBNYLGDZXNWNKN-KFQUQTLLSA-N 441.292 3.122 0 1 IGAF COc1ccc2c(c1OC)[C@]1(c3cc(Br)ccc3OC[C@H]1N)N(C)[C@@H](C)C2 962641286 ZRQSNSAVKLPHJD-VXOKYEDTSA-N 433.346 3.306 0 1 IGAF CC1(C)OC(=O)C([C@]2(C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)C(=O)O1 962951484 FBUXDLRRZUOAFI-LJQANCHMSA-N 427.419 3.024 0 1 IGAF Cc1cc([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc(C)c1OCC(=O)NCC(C)C 963506071 DXHDGXKRTVXGRB-WMZHIEFXSA-N 440.540 3.157 0 1 IGAF CCN1CCc2c(sc(NC(=O)C3(C(=O)Nc4ccc(Cl)cc4)CC3)c2C(N)=O)C1 1772610757 UWAAXILJZXMENN-UHFFFAOYSA-N 446.960 3.236 0 1 IGAF CC1(C)C[C@@H]2OC(=O)[C@H](Cc3c[nH]c4ccccc34)N=C2[C@]23C(=O)O[C@@H]4OCC(=CC[C@@H]12)[C@H]43 2356692757 KJGOXXYRSAWVEF-HTAYMJOVSA-N 446.503 3.337 0 1 IGAF COc1ccc(NC(=O)NC[C@@H]2O[C@H](Cc3cc(-c4ccccn4)on3)CC[C@@H]2O)cc1 2356770096 WZNFJEVXUVPURO-VCOUNFBDSA-N 438.484 3.018 0 1 IGAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)Cc3sc(NC(=O)CSCC(=O)O)nc3[C@H](C)[C@@H]21 2356819620 FDFRGBCCVZRHMJ-PGYMEGEFSA-N 438.571 3.153 0 1 IGAF CC(C)[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1Cl 95604831 VOKWUQZRQWNKGW-SFTDATJTSA-N 448.007 3.321 0 3 IGAF CN(C)Cc1ccc(CSCCNC(=O)CSCc2ccc(CN(C)C)o2)o1 13452542 NFYOLQNDIDXOOH-UHFFFAOYSA-N 425.620 3.279 0 1 IGAF CN1C(=O)[C@H](NC(=O)Nc2cccc(CC(=O)O)c2)N=C(c2ccccc2)c2ccccc21 13732960 NURGVFFFAXQWAP-QHCPKHFHSA-N 442.475 3.275 0 1 IGAF COc1ccc(CCN2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)C3(C)C)C2=O)cc1OC 16040730 CQDBPFQIPAFUAH-HXUWFJFHSA-N 447.535 3.258 0 1 IGAF biogenic CSCC[C@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2n1C)C(=O)O 40411383 LOJLGEFJUZEBHO-KRWDZBQOSA-N 425.510 3.367 0 1 IGAF C[C@@H]1CC[C@H](C(=O)Nc2ccccc2)CN1c1cc(-c2ccc3c(N)[nH]nc3c2)nc(N)n1 64502325 TXXYVBLFLGPQOR-ZBFHGGJFSA-N 442.527 3.428 0 1 IGAF in-vitro CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 82196766 AQNNGQUXQTZZPS-ZDFPQIBNSA-N 442.556 3.035 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)N(C)C[C@@H]1C 95688536 BBNOXYVHIXNILT-BSRJHKFKSA-N 439.556 3.375 0 1 IGAF O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 100533687 UFUSJNCXBKQYCU-OAGGEKHMSA-N 430.492 3.365 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)c3cc4c(cn3)OCCO4)c2)c2cncnc21 169708023 ZZPCNISDKOFQIW-UHFFFAOYSA-N 444.451 3.057 0 1 IGAF Cc1ccc2c(n1)N(C)C=C(C(=O)O)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587771566 UBFVBUXWEWJKIY-BIBXISHDSA-N 432.293 3.488 0 1 IGAF CNS(=O)(=O)c1sccc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587838010 ARPNQJRAAJCVHG-XXFAHNHDSA-N 433.368 3.356 0 1 IGAF Cc1nn(C)c(SCC(=O)O)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587848018 VWGBRUTWYWUVJP-VPTHRUTESA-N 428.327 3.430 0 1 IGAF COc1ccc([C@]2(CS(C)(=O)=O)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587848791 IVSMMEYTMBPNCG-BLVKFPJESA-N 442.350 3.419 0 1 IGAF Cc1cc(O)nc(-n2ncc(C(=O)N3CCc4ccccc4C3)c2Cc2ccccc2)n1 1857614911 SGWZKQHHPIUOQL-UHFFFAOYSA-N 425.492 3.466 0 1 IGAF CNC(=N)N1CCC[C@]2(C1)[C@H]1CC[C@@H](C)[C@@]23C[C@@](O)(COC2CCCC2)C(C(=O)O)=C3C1 2356821793 GETIHOHALFOBPO-GFHGCJKTSA-N 445.604 3.134 0 1 IGAF O=C(N[C@H]1CCN2C(=O)c3cc(C=Cc4ccc(O)cc4)ccc3NC(=O)[C@H]12)C1CCCC1 2356846127 OKKIVLJVJPFIJI-GOTSBHOMSA-N 445.519 3.404 0 1 IGAF Nc1ccccc1CNC(=O)[C@H]1C[C@H](OCCCc2ccccc2)CN1C(=O)c1ccco1 4201915 KZQKVKVLNYELDK-JTHBVZDNSA-N 447.535 3.411 0 1 IGAF CS(=O)(=O)c1nc(-c2cc3c(c(S(C)(=O)=O)n2)CCCC3)cc2c1CCCCC2 5582920 UGDJADAZOSKABS-UHFFFAOYSA-N 434.583 3.098 0 1 IGAF 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426.582 3.333 0 1 IGAF Cc1cccc(-n2c(SCc3cc(=O)n4c(C)cccc4n3)nc3nncc-3c2O)c1 102275361 RWULRQSQITZYTJ-UHFFFAOYSA-N 430.493 3.390 0 1 IGAF Cn1c2c(c3ccc(N4CCN(CCc5ccc(Cl)cc5)CC4=O)nc31)[C@H]1CC[C@@H](C2)N1 113225591 TXRGJNZIXYRKON-AZUAARDMSA-N 449.986 3.467 0 1 IGAF Cc1nc2ccc(C3CC3)nc2n2c(-c3cc(O[C@H]4CCOC[C@@H]4O)ccc3F)nnc12 145753361 XWMJQGHYURZPMZ-PMACEKPBSA-N 435.459 3.193 0 1 IGAF O=C(N1CCc2ccc(C(F)(F)F)cc2C1)[C@@]12CCO[C@H]1C[C@@H](NC1CCOCC1)C2 169705999 HBUDXPHYMVPJQY-RZUBCFFCSA-N 438.490 3.296 0 1 IGAF COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(C4=CCOCC4)nc3n2)cc1CO 205172556 PQSRXIWKDZAALQ-INIZCTEOSA-N 448.523 3.222 0 1 IGAF Cc1nc([C@@](C)(CC2CC2)NC(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)no1 207740101 YAQFRDJMHLPUJZ-OAQYLSRUSA-N 447.486 3.462 0 1 IGAF O=C(Cc1cn[nH]n1)NCCC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1 209574087 YSGVGEDFMHRWHU-UHFFFAOYSA-N 440.331 3.209 0 1 IGAF COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)c(OC)c1OC 221950580 JJIPWSQERGSKJF-IBGZPJMESA-N 426.252 3.432 0 1 IGAF 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3.299 0 1 IGAF CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O 29130275 ICVTXAUKIHJDGV-WFOQEEKOSA-N 448.512 3.448 0 1 IGAF in-vivo CO[C@@]12CC[C@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CCCF)[C@H]2O5 58482416 XNKPKLJCHQDNQO-CJBZWRPGSA-N 431.548 3.337 0 1 IGAF O=S(=O)(c1ccc(Br)cc1)c1ccc(-c2nnc3sc(O)nn23)cc1 66251692 XRHFEXJBFQYXBR-UHFFFAOYSA-N 437.300 3.154 0 1 IGAF O=C1[C@@H]2[C@H](C(=O)N1c1ncccn1)[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 72115063 KUSNEWYFQKHIMI-YWOPKHQMSA-N 447.920 3.428 0 1 IGAF O=C(NCCCN1CCCC1)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069435 KRELCEMXQRRSOR-LJQANCHMSA-N 426.586 3.264 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cccc(F)c3)ccc2OC[C@H](C)NC[C@@H]1C 95687834 UZOQLJHIBIDYRE-PONJGIIJSA-N 443.519 3.172 0 1 IGAF COc1cc(C(=O)OCCN2CCCN(Cc3ccccc3)CC2)cc(OC)c1OC 95755698 WTLYSSBZYYNAAJ-UHFFFAOYSA-N 428.529 3.077 0 1 IGAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)Nc3ccccc3)c2O[C@@H]1CN(C)C 95835194 SSJJWSMGDNAKCS-CBGDNZLLSA-N 440.544 3.112 0 1 IGAF CC[C@H](CC(=O)O)n1c(=O)c2ncccc2n(Cc2nsc3cc(C)cc(C)c23)c1=O 96170057 VKQSKVFPXNALOD-CQSZACIVSA-N 438.509 3.259 0 1 IGAF C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccncc2)C1=O 96273467 XIWZYHHOPXJDKE-IQGLISFBSA-N 429.476 3.419 0 1 IGAF CN1[C@H]2CC[C@@H]1C[C@H](NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)Cc1ccccc1)C2 101641456 WYLPBGBKQSYZQQ-KAOXLYBCSA-N 439.987 3.351 0 1 IGAF C=CCOc1c(Cl)cc(Cl)cc1S(=O)(=O)NC1(C(=O)O)Cc2ccccc2C1 146686107 YIJFSXUJEOMRLN-UHFFFAOYSA-N 442.320 3.459 0 1 IGAF COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(C)c3c(c2OC)OCO3)CCN1C 147410710 UVSRVHUEWXARJU-MJGOQNOKSA-N 427.453 3.190 0 1 IGAF COCCCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 168431888 QWRPXTFTNMDDGQ-XMTFNYHQSA-N 433.346 3.369 0 1 IGAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)cc2)s1 199942035 FJHLEHVICAEIPX-UHFFFAOYSA-N 438.962 3.483 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-c3cnccn3)c2)c1 205645832 WQKDFCTZXNZINF-OAQYLSRUSA-N 440.507 3.116 0 1 IGAF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cn(C)cn3)[nH]c12 222325557 IIVFTIUTXQQOMQ-UHFFFAOYSA-N 441.499 3.074 0 1 IGAF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(C5CC6(COC6)C5)[nH]c4c3)cc2)CC1 586914787 CCMCJOUKVKEHQK-UHFFFAOYSA-N 445.567 3.457 0 1 IGAF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4c(N)ccnc4[nH]2)cn3C2CC2)CC1 587171984 CXSLLGGBRQDZOW-UHFFFAOYSA-N 447.518 3.138 0 1 IGAF COc1cc2c3c(c1)O[C@](CCC(=O)O)(c1cc(OC)c(OC)cc1OC)[C@@H](C2)C3=O 587441665 GRGJPGKGFRZAMJ-NPMXOYFQSA-N 428.437 3.229 0 1 IGAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(I)c1 962895893 AALMQRPCBUSGAO-HOCLYGCPSA-N 427.213 3.127 0 1 IGAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21N[C@@H](N)N(C(C)(C)C)C1=O 1772571648 PCGPUVWHHPVZPY-KZRNHPRCSA-N 436.394 3.249 0 1 IGAF Cc1[nH]nc(Nc2cc(N3CCOCC3)nc(Nc3ccc(NC(=O)C4CC4)cc3)n2)c1C 1772581126 KALLOLBEBICTLA-UHFFFAOYSA-N 448.531 3.489 0 1 IGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(S(=O)(=O)CCO)cc21 1857585101 MWSWHNRSXZXYSI-UHFFFAOYSA-N 436.533 3.106 0 1 IGAF COc1cc([C@@H]2c3cc(OC(C)=O)c(OC)cc3C[C@@H]3C(=O)OC[C@H]32)ccc1OC(C)=O 4429065 LFKHGQCTOISGLY-YZZKKUAISA-N 440.448 3.032 0 1 IGAF biogenic CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1cccc2ccccc12 13758448 DUKKAKKHERVCSN-UHFFFAOYSA-N 430.460 3.377 0 1 IGAF NCCCNCCCCN(CCCN)CCCCNc1ccnc2cc(Cl)ccc12 27187414 MTXGDJFKNFWLMQ-UHFFFAOYSA-N 435.060 3.450 0 1 IGAF O=C(O)COc1c(C(=O)Nc2nccs2)sc(Br)c1Br 28886952 CZVCTKKYRCTJRK-UHFFFAOYSA-N 442.110 3.445 0 1 IGAF COc1cccc2c1CC[C@@H]1CN(CCn3c(O)nc4c([nH]c5ccccc54)c3=O)C[C@@H]21 34800976 WIRHRVAPDHCAEN-DNVCBOLYSA-N 430.508 3.254 0 1 IGAF CCN(c1nc(Nc2ccc3c(c2)S(=O)(=O)NC3)ncc1F)c1cccc2[nH]ncc12 34838100 LLBDUMUPBVPAMJ-UHFFFAOYSA-N 439.476 3.186 0 1 IGAF in-vitro CCn1c(=O)n([C@H]2CCCN(c3cc(-c4ccc(F)cc4)nc(N)n3)C2)c2ncccc21 43203710 GOAHJOYNOINZBH-KRWDZBQOSA-N 433.491 3.238 0 1 IGAF CNCCNCc1cccc(-n2nc(C(F)(F)F)cc2C(=O)NCc2ccccc2C)c1 49111356 NNCCYRAADNQTKP-UHFFFAOYSA-N 445.489 3.439 0 1 IGAF COc1cc2nc(N3CC[C@H](NC(C)=O)C3)nc(NCCc3ccccc3)c2cc1OC 82128526 XSHMBQXYDWMRSI-SFHVURJKSA-N 435.528 3.016 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3F)cc2OC[C@@H](C)NC[C@@H]1C 95688073 YSGNECPMBZHEAJ-DMPWYTOCSA-N 443.519 3.172 0 1 IGAF COC(=O)c1nc2n(n1)[C@@H](c1cc(OC)c(OC)c(OC)c1)C=C(c1cccs1)N2 102805475 OAADBOATVACFOQ-CYBMUJFWSA-N 428.470 3.208 0 1 IGAF Cn1cc(-c2cc(S(C)(=O)=O)cnc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O 146437085 DBOQHJHUGXGIPK-UHFFFAOYSA-N 431.420 3.403 0 1 IGAF CC(=O)Nc1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4[C@H]4C[C@H]43)CC2)cc1 195482801 DWUJVSJNWCYYGP-GGCIZSBUSA-N 447.535 3.195 0 1 IGAF CCC(CC)(NC(=O)c1ccc(C(F)(F)F)c(OCC2CCOCC2)n1)C(=O)N(C)C 207737321 OGJJAOUVDWABHE-UHFFFAOYSA-N 445.482 3.283 0 1 IGAF C[C@H]1[C@H](Nc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1 220737451 VZZLABWLNMMXLP-XJKSGUPXSA-N 431.422 3.181 0 1 IGAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(c5nnc(C6CC6)o5)CC4)ncn3)c2c1 225557186 UJMRZKOMYGEKOI-UHFFFAOYSA-N 446.515 3.394 0 1 IGAF CN(C)S(=O)(=O)c1cccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082580 SOBLTXQCKJQVRK-UHFFFAOYSA-N 431.905 3.367 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(C(=O)CCCC(=O)O)CC2)N1 587765396 BUPPNCVOYTVZIN-GFCCVEGCSA-N 427.314 3.195 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774247 UTAPQCQQIDLOTL-YUNKPMOVSA-N 435.293 3.283 0 1 IGAF COc1ccc([C@]2(COCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587798879 ZVKGCJVCHPSCJP-ODXCJYRJSA-N 438.293 3.476 0 1 IGAF CNS(=O)(=O)c1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587839372 GTMGPVAOCOTWDK-ZMZPIMSZSA-N 427.339 3.294 0 1 IGAF CN1CCN(c2cc(-c3ccc(C(F)(F)F)cc3)c3ccn(S(C)(=O)=O)c3n2)CC1 653842838 ITGAXTFBUHEDGL-UHFFFAOYSA-N 438.475 3.282 0 1 IGAF O=Cc1ccc(Cc2ccc([C@@H]3c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)[nH]2)[nH]1 962640345 ODRJKQFXHALKIU-WIOPSUGQSA-N 428.492 3.482 0 1 IGAF COC(=O)c1nc(C)sc1[C@@]1(c2cccs2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962891398 AQZBHXIKEYQDHP-VBKZILBWSA-N 432.498 3.330 0 1 IGAF CCOC(=O)C[C@@]1(c2ccn(C)n2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962964890 YYJQGMIYEHVSGV-NRFANRHFSA-N 437.462 3.287 0 1 IGAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C(=O)O)(c2cccnc2)N1C(=O)c1ccccc1 963441338 CLVKVDBTXACOPR-NBGIEHNGSA-N 441.443 3.043 0 1 IGAF C=CC(=O)Nc1ccccc1[C@H]1CCNc2c(C(N)=O)c(-c3ccc(C)c(OC)c3)nn21 1772620492 PBPKJBZMRXWDIR-GOSISDBHSA-N 431.496 3.496 0 1 IGAF COc1ccccc1CNC(=O)c1cccc(NCc2nnc(-c3ccncc3)n2C)c1 1772627478 RHFRJOMKPVPGGP-UHFFFAOYSA-N 428.496 3.428 0 1 IGAF C[C@H](CCC(=O)NCCN)[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 1772633949 PJQVFKBWSMRJQG-LBSADWJPSA-N 434.665 3.468 0 1 IGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@H](O)CF)cc21 1857587461 ABURREURZQHJNN-OAQYLSRUSA-N 447.510 3.401 0 1 IGAF O=CN(O)C[C@@H](CC1CCCC1)C(=O)NCNC(=O)c1cccc(Oc2ccccc2)c1 1857620511 HGPDESJTWBFLBN-HXUWFJFHSA-N 439.512 3.327 0 1 IGAF Cc1ccc(S(=O)(=O)N[C@@H](CC2CCCC2)C(=O)Nc2ccc(C(=N)N)cc2)cc1 1857752749 LBHFJYVXQATNJS-FQEVSTJZSA-N 428.558 3.145 0 1 IGAF COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccc(F)cc3)[C@H](O)[C@H]2[C@H]1C 2356319451 HHGXTSXUJYDGEM-YQWPSWOCSA-N 448.579 3.033 0 1 IGAF CC(=O)O[C@@H]1C[C@]2(C)[C@H](CC[C@H](C)[C@@]23Cc2c(cc(CO)c(C=O)c2O)O3)C(C)(C)[C@@H]1O 2356324744 UDNDJMKIAPVLNW-CLJAHHHUSA-N 446.540 3.146 0 1 IGAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC[C@H]1[C@]3(C)[C@H](O)C[C@H]2OC(C)(C)OC[C@@]12C 2356326686 ZMLHWLZKCQDODU-ABZOWRAZSA-N 436.589 3.426 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C=C(C)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3[C@H](OC(=O)C(C)=CC)C[C@](C)(O)[C@H]12 2356408550 ISSPHXIMQLBZGZ-NHRNFHFBSA-N 446.540 3.267 0 1 IGAF O=C(O)C[C@@H]1CCN(Cc2ccccc2)C[C@H]1CCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2356771252 SVJXCJROFMLTFM-QPXUXIHVSA-N 449.595 3.271 0 1 IGAF O=C(O)c1c(NS(=O)(=O)c2ccccc2NC[C@@H]2CCCNC2)ccc2c1CCCC2 14964508 AFWKDAQYJRMYRM-MRXNPFEDSA-N 443.569 3.476 0 1 IGAF O=C1[C@@H]2C3c4ccccc4C([C@H]2C(=O)N1c1ccccc1)[C@H]1C(=O)N(c2ccccc2)C(=O)[C@H]31 17193289 VOAQZUPZPIBDPI-JWDUHDAQSA-N 448.478 3.493 0 1 IGAF C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CN1c1cc(-c2ccc3c(N)[nH]nc3c2)nc(N)n1 64502326 GAMJJHMLLXIWRZ-GXTWGEPZSA-N 438.536 3.066 0 1 IGAF in-vitro CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CC1)C[C@H](C)[C@H](OC)CN(C)C2=O 95679796 COVYADPIWOIZBH-PNLZDCPESA-N 431.577 3.251 0 1 IGAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4ccc5ccccc5c4-n4nccn4)C[C@H]3C2)n1 116828144 ZQBRHQPBVCQLQD-PMACEKPBSA-N 439.523 3.036 0 1 IGAF COC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)[C@@H](O)C[C@@]4(O)[C@@H]3CC[C@@H]2C1 118922676 HLVMTJOTGLNNPR-UOPOZEGQSA-N 448.556 3.366 0 1 IGAF Nc1nc(Nc2ccc(OCCN3CCCC3)cc2)nn1-c1ncnc2ccc(F)cc12 137664742 MIYYLNFVBDOGHE-UHFFFAOYSA-N 434.479 3.150 0 1 IGAF COc1cc(/C=C2/C(=O)OC[C@@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1O 138934090 CZLLEPKEWJTTCK-PLWLOYALSA-N 430.453 3.234 0 1 IGAF O=C1NCC[C@]12CCCN(c1c(Cl)cncc1-c1ccc(N3CCOCC3)cc1)C2 299871756 ZEDOLFLTHODSLP-QHCPKHFHSA-N 426.948 3.345 0 1 IGAF CN(C)S(=O)(=O)c1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 586900094 CJHFFMGWKQYARE-UHFFFAOYSA-N 425.466 3.465 0 1 IGAF COc1cc2c3c(c1)O[C@](CS(C)(=O)=O)(c1cccc(C(F)(F)F)c1)[C@@H](C2)C3=O 587423758 ZDAGRNXPRBNJPX-HNAYVOBHSA-N 426.412 3.402 0 1 IGAF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4ccc(C(=O)O)c(N)c41)[C@@H](C2)C3=O 587434807 ZXWDIXDZXUFHQP-SSOJOUAXSA-N 427.412 3.211 0 1 IGAF COc1cc2c3c(c1)O[C@H](c1c(OC)cc(OCCCC(=O)O)cc1OC)[C@@H](C2)C3=O 587440853 IFMLLHUBXNJBIR-WNSKOXEYSA-N 428.437 3.445 0 1 IGAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2ccc(S(=O)(=O)NCCC(=O)O)cc2)N1 962963800 XAWJPRFUQZANDF-QMHKHESXSA-N 441.553 3.109 0 1 IGAF COc1cc([C@@H]2N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)ccc1OCCO 963186647 UMJVKBJMQKOVCQ-QAPCUYQASA-N 445.821 3.427 0 1 IGAF O=C(CNC(=O)c1ccc(-c2cnccc2OCC2CCNCC2)cc1)Nc1ccccc1 1772594270 RQDRHUZBSDGLNX-UHFFFAOYSA-N 444.535 3.496 0 1 IGAF Cc1nc(C)n(-c2ccc3c(c2)nc(CCc2ccccc2)n3CCN2CCOCC2)n1 1772597496 PCYBQKYRHSIUOF-UHFFFAOYSA-N 430.556 3.351 0 1 IGAF COc1ccc2cc3[n+](cc2c1OCCCO[N+](=O)[O-])CCc1cc2c(cc1-3)OCO2 1772613260 ORVJWKYDYBJFEL-UHFFFAOYSA-N 425.417 3.065 0 1 IGAF Cc1cc(-c2nc3cnc(N4CCOC[C@@H]4C)nc3n2[C@@H](C)c2ccccc2)cn(C)c1=O 1772643650 RDUPWOBDMIAECF-ROUUACIJSA-N 444.539 3.335 0 1 IGAF CNCCN(C(=O)c1ccc2c(c1OC)C=CC(C)(C)O2)c1ccc(OC)c(OC)n1 1857606821 NLMSEUBOROGXSA-UHFFFAOYSA-N 427.501 3.158 0 1 IGAF COc1ccc(Oc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2NC(N)=O)cc1 1857616964 UUJMPBKPUSEZFA-UHFFFAOYSA-N 436.472 3.348 0 1 IGAF Cc1sc2ncnc(SCC(=O)N3CCn4nc(C(F)(F)F)nc4C3)c2c1Cl 1911580745 PIZZIQUTOXLDRU-UHFFFAOYSA-N 448.883 3.398 0 1 IGAF CCOc1cc2c(cc1OCC)[C@H]1C=c3cc(O)c(OCC)c(OCC)c3=CN1CC2 2356858872 SPLNWBXOJYEVCP-HXUWFJFHSA-N 425.525 3.119 0 1 IGAF CC(C)(C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 61895452 GCDBWYGLLGXESB-OAQYLSRUSA-N 434.945 3.114 0 3 IGAF O=C([C@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@@H]12)N1CCN(c2ccccn2)CC1 2466619 SIZDSIMGIITMOV-DQEYMECFSA-N 438.531 3.267 0 1 IGAF CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCC(C)(C)CO)cc1 4045630 QCCHSNJNPMAMIL-GGAORHGYSA-N 439.556 3.378 0 1 IGAF C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(cc3c(c1O)CN(CCO)C3=O)O2 6488400 LFDSCKHKJMUBAW-JUTSDPTHSA-N 429.557 3.247 0 1 IGAF biogenic COc1cc([C@@H]2c3c(cc(OC)c(OC)c3OC)C(=O)C[C@@H]2CO)cc(OC)c1OC 13309167 QUKCZKNCWCPIDQ-YJYMSZOUSA-N 432.469 3.065 0 1 IGAF biogenic COc1ccc([C@H]2C=C3CNS(=O)(=O)[C@H]3C[C@@H]2OC(=O)c2ccc(Cl)cc2)cc1 13830920 AUWPSWVHPMLLIK-AABGKKOBSA-N 433.913 3.290 0 1 IGAF Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCN3CCOCC3)nc21 21290154 CSLJSOAIJCEXMF-UHFFFAOYSA-N 448.354 3.437 0 1 IGAF CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CCOc1ccccc1 26657928 KUUIAEGTCZAGKP-KRWDZBQOSA-N 445.324 3.378 0 1 IGAF C[C@H]1CCCCN1S(=O)(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)nn2C)c1 40422583 BQFQWWWYWGFNMK-LBPRGKRZSA-N 430.452 3.254 0 1 IGAF CCCc1nc(-c2ccc(F)cc2)oc1C(=O)N[C@H](C)CN1CCN(C(=O)C2CC2)CC1 45357596 CIMPXJQCDKNSDO-MRXNPFEDSA-N 442.535 3.106 0 1 IGAF Cc1cnc(NCC[C@@H]2CCCN2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1 89469331 VAGWMXFOQIALHK-RBBKRZOGSA-N 448.571 3.140 0 1 IGAF COc1cc([C@H]2OC[C@@H]3[C@H](c4ccc(OC)c(OC)c4)OC[C@@]23OC(C)=O)ccc1O 100822174 ZVILPMKYRJCFAE-WBLPJHHHSA-N 430.453 3.179 0 1 IGAF endogenous,in-man O=C1NC(=O)C(c2c3n(c4ccccc24)C[C@@H](CN2CCCC2)C3)=C1Nc1ccccc1 103201706 FQNCWRHVNLZCQM-QGZVFWFLSA-N 426.520 3.389 0 1 IGAF COc1cc(OC)cc(C(=O)NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)c1 205828138 UPGLQJPWOICJCU-GRSHGNNSSA-N 432.436 3.487 0 1 IGAF COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(N)=O 299820001 BWBXMAUREFHJBK-UHFFFAOYSA-N 443.463 3.498 0 1 IGAF CCOC(=O)[C@H]1[C@H](C(=O)c2ccc(OC)cc2)[C@@]12C(=O)Nc1ccc(Br)cc12 473148702 HEFYKBXSIVFZMN-CBGDNZLLSA-N 444.281 3.340 0 1 IGAF CCOc1n[nH]c(-c2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)c1Br 586979532 FGYGGTJDCQGPRC-UHFFFAOYSA-N 442.339 3.145 0 1 IGAF COCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2cc(C(=O)OC)cc(Br)c2[nH]1 587231268 NCIQKBPYPRMIPE-STQMWFEESA-N 438.322 3.148 0 1 IGAF COc1cc2c3c(c1)O[C@@]1(CCN(C(=O)OC(C)(C)C)C[C@@H]1COC(C)=O)[C@@H](C2)C3=O 587435534 GFTKRNZLBQESJE-LPXYKDPNSA-N 431.485 3.002 0 1 IGAF Cc1ccc2c(c1)oc(=O)n2CCOc1ccnc2cc(OCCN3CCOCC3)ccc12 653729327 PPXSVFZZGSCDDM-UHFFFAOYSA-N 449.507 3.241 0 1 IGAF COC1CN(C(=O)c2ccc3cncc(-c4ccc5nn(CC(C)(C)O)cc5c4)c3c2)C1 653817183 UGNHYRQHVKXDPA-UHFFFAOYSA-N 430.508 3.493 0 1 IGAF COC(=O)[C@@H]1C[C@@]2(CCN1C(=O)OCc1ccccc1)NCCc1cc(C)c(F)cc12 962377716 SAKRYSBUBRIOHI-XUZZJYLKSA-N 426.488 3.449 0 1 IGAF COc1ccc2c(c1OC)[C@]1(c3cc(Br)ccc3OC[C@H]1N)N(C)[C@H](C)C2 962641284 ZRQSNSAVKLPHJD-HXGDPMPDSA-N 433.346 3.306 0 1 IGAF CN(C)C(=O)c1ccc2c(c1)[C@H](c1cccc(-c3ccc(S(C)(=O)=O)cc3)n1)NCC2 962929232 HPAXZEGSWXZCEC-HSZRJFAPSA-N 435.549 3.089 0 1 IGAF CCOC(=O)CC[C@@]1(c2cccc(OCC)c2)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963466752 FGLZOMZXWKRLDC-RDPSFJRHSA-N 427.497 3.285 0 1 IGAF CCOc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCCN2CCCC2=O)cc1 4049803 VYHWBENKUHVAAZ-ISKFKSNPSA-N 435.524 3.306 0 1 IGAF CC(=O)[C@H]1CC[C@@H]2[C@]1(C)CC=C1[C@@]3(C)CC[C@H](O)C[C@]34C=C[C@@]12[C@H](C(=O)O)[C@H]4C(=O)O 4416489 NEZTUQCJKXTWFV-UGIIKOHNSA-N 428.525 3.447 0 1 IGAF CC[C@H]1CCCCN1C(=O)Cn1c(=O)n(-c2cc(F)ccc2F)c(=O)c2sccc21 9598576 KGSKUOVMWONDHS-AWEZNQCLSA-N 433.480 3.283 0 1 IGAF Cc1ccc(C[C@]2(CCC(=O)N3CCC[C@H](C(=O)c4cccnc4)C3)CCC(=O)N2)cc1 12217257 VBQKGLSALBODJZ-BKMJKUGQSA-N 433.552 3.483 0 1 IGAF COc1ccc2cc([C@@H](C)C(=O)OCCCCOC(=O)CN3CCOCC3)ccc2c1 29318483 UWGCHSIGSMWOTJ-GOSISDBHSA-N 429.513 3.151 0 1 IGAF Nc1nccc(-c2ccc3nc([C@@H]4COc5c(cccc5C(=O)NC5CC5)C4)[nH]c3c2)n1 49126057 NDAAAGHBDJRILY-HNNXBMFYSA-N 426.480 3.213 0 1 IGAF Cc1cccc2nc(CCCCN3CCN(c4ccc5ccccc5n4)CC3)n(N)c(=O)c12 59855626 RSUQRWJJGYXXCP-UHFFFAOYSA-N 442.567 3.112 0 1 IGAF CC[C@@H]1Cn2c(c(NC(=O)CCC3CCCC3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82208421 HXGSSCWDZGAGSB-GOSISDBHSA-N 428.508 3.310 0 1 IGAF NCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCC(F)(F)CC4)ccn3)s2)c1 84615442 JCSHLEDYODZCMJ-UHFFFAOYSA-N 445.499 3.225 0 1 IGAF O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1sc(OC2CCOCC2)nc1[C@H]1CCCO1 103246836 PKFRAMMZHQBMFC-HYFOWJCRSA-N 448.585 3.222 0 1 IGAF O=c1c2[nH]c3cc4[nH]c5c(=O)c6ccccc6c(=O)c=5oc4cc3oc=2c(=O)c2ccccc12 104578959 TUCARPJYNOOCIC-UHFFFAOYSA-N 448.390 3.032 0 1 IGAF Cn1cc(-c2cccc(NC(=O)COCC(=O)Nc3ccc(Cl)cc3C(=O)O)c2)cn1 115041220 SEDUCPFYBNEVIN-UHFFFAOYSA-N 442.859 3.033 0 1 IGAF O=C(CO)N(CCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(O)c1)C2)Cc1c(F)cccc1F 117301634 HIZQWWSJSYDBOP-REPLKXPHSA-N 430.495 3.402 0 1 IGAF COC(=O)c1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1 145575284 UDKRZHKBWBJIRH-UHFFFAOYSA-N 428.876 3.218 0 1 IGAF O=C(Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1)N1Cc2ccccc2C1 167083635 ZHYLXVFEFKIJFG-UHFFFAOYSA-N 444.491 3.426 0 1 IGAF O=C(N[C@H](c1ccccn1)C(F)(F)F)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 207371783 ZFCWREJEEFRYQJ-CQSZACIVSA-N 443.376 3.149 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(=O)nc[nH]c4c3)c2)cc1 211015282 MQQZWQHJYYOEBW-UHFFFAOYSA-N 449.536 3.265 0 1 IGAF CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccoc2)C1 299884303 SVACKPHWLPAPJP-QWFCFKBJSA-N 425.485 3.497 0 1 IGAF COC(=O)C1=C2CCCN2C(=O)C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587343871 DTJVSHPTUTYHTE-GBXCKJPGSA-N 437.423 3.082 0 1 IGAF CCOC(=O)[C@@H](CC(=O)O)[C@]1(C)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949950 DOFGDJPVBPZRNB-BEFAXECRSA-N 429.435 3.226 0 1 IGAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(-c2cnn(C)c2)cc1F 1772653313 TXAUZBVLXHFROM-VNBZBWLYSA-N 444.442 3.034 0 1 IGAF CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccc(OS(N)(=O)=O)cc1 1857579974 NAYVNMKIDMRCMQ-QGZVFWFLSA-N 428.297 3.273 0 1 IGAF CN(C[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 2356297993 JXMOFERMXKEWBV-UEXGIBASSA-N 434.005 3.465 0 1 IGAF CC(C)(C)c1ccc(OC[C@H](O)CN(CCO)C[C@@H](O)Cn2ccc3ccccc32)cc1 13572435 VAEVNYQICFQOPN-DHIUTWEWSA-N 440.584 3.034 0 3 IGAF NC(=O)c1ccccc1N1CCN(CCCC[C@@]23CCCc4cccc(c42)NC3=O)CC1 13473685 MAWMLRNFZVOZSV-AREMUKBSSA-N 432.568 3.304 0 1 IGAF COc1ccc(NC(=O)C[C@H]2C(=O)N[C@H]3CCCC[C@H]3N2C(=O)c2ccc(F)cc2)cc1 13518503 CVAXXIZYLRVQGF-HBMCJLEFSA-N 439.487 3.115 0 1 IGAF CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O 28563221 SBSLGLKCPLPONN-LXZKKBNFSA-N 429.406 3.121 0 1 IGAF COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC 49803778 YRXPCPGTMSVNEK-UHFFFAOYSA-N 425.489 3.137 0 1 IGAF Cc1cccc(-c2nc(N3CCC[C@H](C(N)=O)C3)ncc2C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 82146386 LHPKLWMJULROMO-NSHGMRRFSA-N 435.572 3.272 0 1 IGAF C[C@]1(C(=O)O)CCC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]5O[C@H]6OC(=O)C[C@]6(O5)[C@H](O)C[C@H]4[C@]3(C)CC[C@@H]12 85643516 KQRYOIRUDJNENM-CPZZNOEESA-N 448.556 3.476 0 1 IGAF COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@@H]2[C@@H](CO)O1 95900484 YVFPRJXGACQPOR-GYBPZWCXSA-N 430.432 3.027 0 1 IGAF Cc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)(C)F)o1 101176816 DDMTYZBTPDHBMN-FQEVSTJZSA-N 429.448 3.236 0 1 IGAF CC(=O)O[C@H]1[C@H](C)[C@@H](O)[C@H]2[C@H]1C=C(C)[C@@H]1C[C@@H]3[C@@H](C4=C5O[C@]3(C)CC[C@H](OC4=O)[C@H]5C)[C@@H]12 101447328 OBOIGEYAYDVFPT-QDYOOUGDSA-N 442.552 3.388 0 1 IGAF CC[C@@H]1c2c(C(=O)N3CCOCC3)nn(-c3ccccc3)c2-c2ccccc2S1(=O)=O 112931591 PHSIEZNJBRUJLA-GOSISDBHSA-N 437.521 3.250 0 1 IGAF COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1[S@@](C)(=N)=O 168665064 GNODSQUZRSUVER-NFWWYOGNSA-N 444.355 3.208 0 1 IGAF O=C(NC[C@H](O)CO)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 169710694 OFONJYAOQLVHJY-WMZOPIPTSA-N 426.494 3.085 0 1 IGAF CCOc1ncccc1-c1nc([C@@H]2CCN2C(=O)c2cc(C)c(C)cc2-n2nccn2)no1 211358094 XLYJJZDMAYDCNN-SFHVURJKSA-N 445.483 3.315 0 1 IGAF O=C1N(Cc2ccc(Br)cc2)c2ccc(F)cc2[C@]12Cn1nncc1CO2 473084311 GHOJNEWEPBETRU-LJQANCHMSA-N 429.249 3.152 0 1 IGAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccc(S(N)(=O)=O)cc4[nH]3)cc2F)c1 587144447 YBOFQDOXZZGMIB-UHFFFAOYSA-N 441.440 3.390 0 1 IGAF Oc1nc(O)c(I)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)n1 587182145 LXFJWLQLWVBRIL-UHFFFAOYSA-N 440.094 3.194 0 1 IGAF O=C(O)CCC(=O)NC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570545 JEXQOWXQORAVQP-WIOPSUGQSA-N 447.443 3.230 0 1 IGAF CC1=C[C@@]2(CC(=O)N1CCCC(=O)O)N[C@@H](C)Cc1cc(Br)c(F)cc12 587759964 NHMRDAAFQWLMNT-WLRWDXFRSA-N 425.298 3.319 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587770593 ANQKFNLQXBAQJF-YUNKPMOVSA-N 435.293 3.283 0 1 IGAF C[C@@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2ccc(Cl)cc2)C1 1772620994 MXUGTKQMOYVXLA-ZDUSSCGKSA-N 429.908 3.361 0 1 IGAF Cc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-c1ncccn1 1772636590 HNNMNIHEWGQDKJ-GJZGRUSLSA-N 443.433 3.419 0 1 IGAF CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3cccc(F)c3)C(=O)[C@@]21C 15936662 HFYCUMXNTRHGJX-ZVVFGRKBSA-N 435.455 3.037 0 3 IGAF COc1cc([C@@H]2CC=C(C(=O)O)CN2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC 36387289 ZGVRNEPHCVBLMN-SFHVURJKSA-N 447.509 3.168 0 3 IGAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1 61903741 OTQSZMLNYYLPML-OAQYLSRUSA-N 446.956 3.258 0 3 IGAF Cn1nccc1C(=O)NC[C@H]1CCC2(CCN(Cc3cccc(C(F)(F)F)c3)CC2)O1 14886111 GJOKTUJNUKPKFT-GOSISDBHSA-N 436.478 3.383 0 1 IGAF Cc1ccc(NC(=O)NCCCN2CCOCC2)cc1Nc1nccc(-c2cccnc2)n1 28377294 JFCRWCHHUGAJGI-UHFFFAOYSA-N 447.543 3.434 0 1 IGAF Cn1nccc1-c1cc(NC(=O)c2ccc(F)cc2F)ccc1OCCN1CCOCC1 49045582 BMSMOYJGZAKUNL-UHFFFAOYSA-N 442.466 3.329 0 1 IGAF Cc1cccc2c(=O)n(N)c(CCCCN3CCN(c4ccc5ccccc5n4)CC3)nc12 59854524 BSCUUFDNCBQNPG-UHFFFAOYSA-N 442.567 3.112 0 1 IGAF CN(C)c1ccc(C(=O)NCCCCN2CCN(c3ccccc3OCCF)CC2)cc1 66111626 WGDFOVYWTNOIKG-UHFFFAOYSA-N 442.579 3.433 0 1 IGAF CCC(=O)c1c2c(nc3ccc(OC)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C[C@]3(O)CC 71296123 BDTZLYDFLJEZPI-RUZDIDTESA-N 448.475 3.071 0 1 IGAF O=C1C[C@H](c2ccccc2F)C(=O)N1CN1CCN(c2cccc(C(F)(F)F)c2)CC1 103015911 VVPXQPXRGXWSCJ-GOSISDBHSA-N 435.421 3.467 0 1 IGAF COc1cnc(-c2ccc(NC(=O)Nc3ccc(C(=O)O)cc3)cc2)nc1N1CCOCC1 118160555 YCSMOVKGOIUQTL-UHFFFAOYSA-N 449.467 3.331 0 1 IGAF Cn1nc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O 146758308 WMZLURKVVFOFFQ-UHFFFAOYSA-N 446.435 3.371 0 1 IGAF CC(C)[C@@H](NC1=N[S@@](=O)N=C1Nc1cccc(C(=O)N(C)C)c1O)c1cccc(F)c1 253664546 FXZPQNIHNJKMLA-INZIPBBXSA-N 445.520 3.021 0 1 IGAF O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(F)cc1Cl 299876516 FVIUAAZRWXIEGY-CMKODMSKSA-N 429.879 3.356 0 1 IGAF CCCCNS(=O)(=O)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586966423 DGTOJGBLHXRNKR-UHFFFAOYSA-N 444.542 3.379 0 1 IGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587121026 OGBFYDFZLRHSMI-UHFFFAOYSA-N 441.316 3.308 0 1 IGAF COC(=O)c1ccnc2[nH]c(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)nc12 587171131 ZSVPSJYOZTWOSA-UHFFFAOYSA-N 432.458 3.413 0 1 IGAF Nc1ccccc1[C@@]1(C[C@@H](N)C(=O)O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329956 AZIAVXBQOFNHGJ-NHCICSSKSA-N 436.439 3.170 0 1 IGAF COC(=O)C[C@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 587396636 VBJRVKAINRJBQK-CMJOXMDJSA-N 432.517 3.491 0 1 IGAF CN1C(=O)C[C@@H]2CN[C@@]3(C(=O)c4c(O)cc(O)cc4O[C@H]3c3ccccc3)c3cccc1c32 963036610 ULMVJAVYZXKFQW-BUNUKWNGSA-N 442.471 3.363 0 1 IGAF CCOC(=O)c1cnc([C@@H]2c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)s1 963137108 HHFKPIJLWMWKHB-PWSUYJOCSA-N 439.515 3.112 0 1 IGAF Nc1c(C(=O)NCCc2ccc(N3CCNCC3)c(Cl)c2)sc2ncc(F)cc12 1857603277 DAGWGFGVDPKZRF-UHFFFAOYSA-N 433.940 3.053 0 1 IGAF COc1ccc(CN=c2[nH]c(Nc3ccc(N4CCN(C)CC4)cn3)ncc2Cl)cc1 1911583113 YUFVQEHKXVADND-UHFFFAOYSA-N 439.951 3.063 0 1 IGAF O=C(CC[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1)N1CCN(c2ccccn2)CC1 11844538 BCGWLEQFUPQWAP-QFIPXVFZSA-N 446.595 3.481 0 3 IGAF COc1ccc(CCN(C(C)=O)[C@H]2CC(C)(C)Oc3ccc(C(N)=O)cc32)cc1OC 758675 GWLBLIMQVYVVDG-IBGZPJMESA-N 426.513 3.496 0 1 IGAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(C(=O)NC4CC4)cc2)C(=O)[C@@]31C 2111503 OABDUXQGEAIRLC-RUZDIDTESA-N 444.491 3.309 0 1 IGAF biogenic CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)N[C@@H](C)CN(C)C 4038727 SATUJTNFSKEHMZ-YJGRUCBDSA-N 438.572 3.309 0 1 IGAF O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc2n1Cc1cccs1 4239124 ZFGOVGZIQRUJKT-UHFFFAOYSA-N 441.463 3.078 0 1 IGAF CCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)c1[nH]c(=O)ccc1C(=O)O 13832844 PVOFMAFFVLLKTC-UHFFFAOYSA-N 430.468 3.337 0 1 IGAF COC[C@H]1CCCCN1C(=O)C[C@@]1(c2ccccc2C)CC(=O)N(C2CCCC2)C1=O 15067935 MDJXZOSQBYFORF-NLFFAJNJSA-N 426.557 3.352 0 1 IGAF O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCN1CCN(c2ccccc2)CC1 26266000 PADBZSDVJGXWKS-UHFFFAOYSA-N 440.547 3.304 0 1 IGAF COc1ccc(S(=O)(=O)N2CCc3cccc(NS(=O)(=O)c4ccccc4)c32)cc1 40575860 GWIJZIIWCABAJC-UHFFFAOYSA-N 444.534 3.247 0 1 IGAF CC1(C)C(=O)NC(=O)N1C[C@H](N)COc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 66166259 JHJGUSCPZQFRBZ-HNNXBMFYSA-N 437.418 3.289 0 1 IGAF COc1ccc(CONC(=O)c2cc(Br)c(Br)[nH]2)cc1OC 71334543 IGCVRIFSCLVVRA-UHFFFAOYSA-N 434.084 3.419 0 1 IGAF COc1cc(C(=O)c2c(NCCN(C)C)oc3c(O)c(OC)ccc23)cc(OC)c1OC 72180363 KLMZGVQPCSGQON-UHFFFAOYSA-N 444.484 3.377 0 1 IGAF O=S(=O)(c1ccccc1)N1CCN([C@H](c2ccc(Cl)cc2)c2cncnc2)CC1 72185250 UUYIWDOHTITXDP-OAQYLSRUSA-N 428.945 3.226 0 1 IGAF CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cc(F)ccc21 101037812 NDGAAHHNCVCWLL-UHFFFAOYSA-N 429.473 3.453 0 1 IGAF O=S1(=O)CCC(Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 113134558 NDCQVQGAOACOBL-UHFFFAOYSA-N 426.420 3.284 0 1 IGAF O=C(O)COc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2ON1c1ccccc1 137767056 QRDNEVXKPVQSKQ-RJGXRXQPSA-N 444.443 3.201 0 1 IGAF COc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1 144186971 TYVDQJIPBMSQKY-UHFFFAOYSA-N 443.511 3.160 0 1 IGAF COc1nc(C(C)(C)C)ccc1CNC(=O)[C@H](C)c1ccc(NS(C)(=O)=O)c(F)c1 146342809 IUVDCUGJQGZKBQ-CYBMUJFWSA-N 437.537 3.318 0 1 IGAF CO[C@@H]1/C=C\C=C\C=C/C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O[C@@H](C[C@@H](C)O)C1 169293526 SZPWNRYGTQYOLD-RLAYAYEQSA-N 432.557 3.317 0 1 IGAF Cn1cc(C(=O)c2cncc(NC(=O)Cc3cc(F)cc(F)c3F)c2)c2cncnc21 169707728 QBRNDNOCFGCFKM-UHFFFAOYSA-N 425.370 3.193 0 1 IGAF Ic1ccc(-c2nc3cnncc3[nH]2)cc1I 587179496 WQRCFCRJJRGZJI-UHFFFAOYSA-N 448.005 3.229 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CN1C(=O)c3ccccc3N/C1=C\N1CCOCC1)O2 587398876 IWUJPZLZTXDLEE-BLJGQIRFSA-N 448.523 3.000 0 1 IGAF C[C@H]1[C@@H]2NC[C@@H](CO)C[C@]2(O)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]21 2356388324 AGNQTDBSAUJBFO-SIVQGYOGSA-N 447.660 3.310 0 1 IGAF O=C(O)C(=O)c1ccc(OCc2ccc(COc3ccc(C(=O)C(=O)O)cc3)cc2)cc1 13490979 HNHFGJRWYYEILT-UHFFFAOYSA-N 434.400 3.379 0 1 IGAF biogenic,in-vitro NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2Cl)cc1CO 13589019 DEOMPFWIGOOQMC-UHFFFAOYSA-N 431.823 3.351 0 1 IGAF CS(=O)(=O)c1ccc(CCNCCCCCCN[C@@H]2CCc3ncccc3C2)cc1 27634364 INPJGOTZEGMEJL-JOCHJYFZSA-N 429.630 3.325 0 1 IGAF O=C1CC[C@@](c2ccncc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 40957712 HGHBFHADCALABU-JOCHJYFZSA-N 442.357 3.431 0 1 IGAF CS(=O)(=O)Nc1ccc(-c2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1 48999038 HKMQCDWYQWFDPW-UHFFFAOYSA-N 439.541 3.091 0 1 IGAF CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(N5CCOCC5)cc4)nc23)cc1 68247682 UUVZHZJBZYONMR-UHFFFAOYSA-N 449.536 3.380 0 1 IGAF in-vitro CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CC1)[C@H](C)CO2 95679790 BDRXDQAKPVBUQK-YVHKJVDXSA-N 431.577 3.251 0 1 IGAF CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CC1)C[C@@H](C)[C@H](OC)CN(C)C2=O 95794341 COVYADPIWOIZBH-HYFFOGBASA-N 431.577 3.251 0 1 IGAF C[C@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1CC1CCCCC1)c1ccccc1 95796886 TWDQSYAAPGNURU-HEJOCSJQSA-N 449.595 3.270 0 1 IGAF NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1 113666717 ZVVMKWYPGTUHBY-QFIPXVFZSA-N 445.454 3.230 0 1 IGAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NCCCCCCO)cc2F)cn1 212160111 ZNBPLBRJRRTNAD-UHFFFAOYSA-N 444.532 3.363 0 1 IGAF C[C@@H]1CN(C(=O)c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)CCN1 473146761 DEDWTXVFVFTUNC-SECBINFHSA-N 431.340 3.354 0 1 IGAF CCOc1ccccc1[C@](N)(c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)C(F)(F)F 587092881 OOJYOQMQIMABLW-NRFANRHFSA-N 433.478 3.478 0 1 IGAF CC[C@@H]1[C@H](C(=O)OC)[C@@]2(CCN1C(=O)OC(C)(C)C)CC(=O)c1cc(C)cc(N)c1O2 587397264 ZAGXCKTUKWDQBP-JTUHZDRVSA-N 432.517 3.490 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(OCc3nnnn3C)c2)N1 587758392 ISDLJUWBZGHUEK-WLRWDXFRSA-N 432.297 3.314 0 1 IGAF CCOC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCC)N[C@@H](C)Cc1ccc(F)c(Br)c12 587792671 BUKPZWXSSDYZMR-MJAJYPSFSA-N 442.325 3.470 0 1 IGAF COC(=O)C1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC(OC)(OC)C1 587811108 MREKJDSEHZUCCH-PIGZYNQJSA-N 430.314 3.280 0 1 IGAF COc1ccccc1CNC(=O)c1cc([C@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)c[nH]1 962927403 QRGOWXIFVBFXTM-SANMLTNESA-N 446.551 3.064 0 1 IGAF COc1ccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](CN4CCCC4)C3)cc2c1 1857568898 CXWFGKHTSTURDG-NRFANRHFSA-N 446.551 3.126 0 1 IGAF COc1cc2ncnc(C3CCN(C(=O)c4ccc(OCCO)cc4)CC3)c2cc1OC 1857609279 OFWMJTJIACLWHG-UHFFFAOYSA-N 437.496 3.038 0 1 IGAF C[C@]1(O)CCN(Cc2cncnc2)[C@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 2356288657 IOIDLRRUXKXDLU-URVUXULASA-N 426.517 3.174 0 1 IGAF O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4110647 SYTAHICZQJWNGK-LFSVMHDDSA-N 434.399 3.121 0 1 IGAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)[C@@H]1CCCN(c2nnc(-n3cccc3)s2)C1 6806061 QQRAPILVPZAQCR-GBESFXJTSA-N 430.622 3.314 0 1 IGAF COc1ccc(CC[C@@]2(C)NC(=O)N([C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)C2=O)cc1 9781616 IEEFNQLQRLGHNH-XOWTYJCDSA-N 435.524 3.305 0 1 IGAF COc1cc2nc(N(C)[C@@H]3CCCC[C@@H]3N(C)C(=O)c3ccco3)nc(N)c2cc1OC 13826084 HZNHGMXFMGRNNC-DLBZAZTESA-N 439.516 3.342 0 1 IGAF CN(C)CCc1c[nH]c2ccc(-c3nc(Cc4ccc(NS(C)(=O)=O)cc4)no3)cc12 13827479 DXMSFKTUXGYHFG-UHFFFAOYSA-N 439.541 3.284 0 1 IGAF O=C(NCCCN1CCC2(CCc3ccccc32)CC1)C1CCN(c2ncccn2)CC1 28569188 OICZWBPIOMFLGW-UHFFFAOYSA-N 433.600 3.179 0 1 IGAF Fc1cc(OCCCCCOc2ccc(C3=NCCN3)c(F)c2)ccc1C1=NCCN1 40949435 NRXPMLJEVJKBHE-UHFFFAOYSA-N 428.483 3.293 0 1 IGAF CCCOC(=O)N1CCc2c(sc(N)c2C(=O)c2cc(OC)c(OC)c(OC)c2)C1 40956319 WTBVMXMRARAFQX-UHFFFAOYSA-N 434.514 3.492 0 1 IGAF COc1cccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4[nH]c(C(N)=O)cc4c3)CC1)O2 49115024 GQTIMACHULFKBL-UHFFFAOYSA-N 447.491 3.224 0 1 IGAF CC1(C)CCC[C@]2(C)[C@H]3Cc4oc(CN5CCOCC5)cc4[C@H]4C(=O)O[C@@H]([C@H](O)[C@@H]12)[C@@H]43 64559575 SNEYOVGTILZAJD-DGQPMYFRSA-N 429.557 3.116 0 1 IGAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccco2)C1 82142328 ULGWTLORZDCUFJ-WMZOPIPTSA-N 425.533 3.056 0 1 IGAF COc1cc(-c2csc(N3CCC[C@@H]3C(=O)NC[C@@H]3CCCO3)n2)cc(OC)c1OC 82194764 HHYPLWPAYPDKFA-DOTOQJQBSA-N 447.557 3.100 0 1 IGAF NS(=O)(=O)OCc1csc(-c2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)n1 87722924 LXOHIMDOJADTLR-UHFFFAOYSA-N 444.943 3.016 0 1 IGAF CO[C@]12C=C[C@]3([C@H]4[C@@H](O)C(C)(C)C[C@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 100576363 BANTYRLFVMBWRP-JJMWJSSISA-N 449.591 3.410 0 1 IGAF CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2c(O)cccc21 101077708 LKYZJAXMQBRFMY-UHFFFAOYSA-N 427.482 3.020 0 1 IGAF O=S(=O)(c1ccccc1)N(CCO)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 103248809 QUHQWKCNBXVSDH-UHFFFAOYSA-N 443.365 3.186 0 1 IGAF C[C@@H]1CN(CCNC(=O)c2ccc(NC(=O)N3Cc4ccc(F)cc4C3)cc2)C[C@@H](C)O1 166876628 GMGKUQWUZNKZRH-IAGOWNOFSA-N 440.519 3.212 0 1 IGAF O=C(Nc1ccc(Br)cc1)[C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)NC1CCNCC1)C21CC1 168556366 SHZDYLACWPFHQX-WJFTUGDTSA-N 444.373 3.084 0 1 IGAF C[C@H]1COC2(CCN(S(=O)(=O)c3cc(Br)cc(C(F)(F)F)c3)CC2)O1 169350169 CHEBFDZNDMXNSD-JTQLQIEISA-N 444.269 3.384 0 1 IGAF Cc1cnc([C@H](O)[C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)s1 199435563 UNRVITUMVUGDDZ-OXQOHEQNSA-N 425.558 3.181 0 1 IGAF Cc1noc(C[C@H]2CC[C@H](c3ccc(N4CCOc5ncnc(N)c5C4=O)cc3)CC2)n1 261188660 YHEFHAAZUQQTLM-WKILWMFISA-N 434.500 3.306 0 1 IGAF CCOC(=O)CN(C)c1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cn1 587739182 GIQLSTHJJFXCMU-VOJFVSQTSA-N 437.313 3.001 0 1 IGAF CNS(=O)(=O)c1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587842687 WLFMJVUCZIOIQD-ZMZPIMSZSA-N 427.339 3.294 0 1 IGAF CCOC(=O)N1CC[C@]2(c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)C1(C)C 963154280 XREAACLTOOSGJQ-XCLFUZPHSA-N 439.534 3.226 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3cc4cc(Cl)c(Cl)cc4[nH]3)N2C(=O)[C@@H]2CCCN12 963198669 ACWGIUGLJZRBPI-BQFCYCMXSA-N 430.295 3.045 0 1 IGAF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)c2ccccc2C(=O)c2ccc(N)c(Cl)c21 963526070 NJMKTJNEMBJXDN-UUOWRZLLSA-N 434.879 3.371 0 1 IGAF CCOc1ccc(CN2CCCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C 1857606358 ZCQITOMFELBCHI-QHCPKHFHSA-N 425.573 3.190 0 1 IGAF C[C@H](O)CN=c1nc2c(ncn2[C@H]2CCCCO2)c(Nc2ccc(Br)cc2)[nH]1 1857640066 OKHJRHFBOMASNR-SWLSCSKDSA-N 447.337 3.246 0 1 IGAF COC1=CC=C2C[C@H]3N(C(=O)C4CC4)CC[C@@]45[C@@H](O[C@H]1[C@H]24)c1[nH]c2ccccc2c1C[C@@]35O 1911576989 OJUMJLFYDFEYFQ-OXSCXZCJSA-N 444.531 3.383 0 1 IGAF C[C@]1(O)CCC[C@@H]2c3c(cc4oc(CO)c(CCCO)c(=O)c4c3OC3CCCC3)O[C@@H]21 2356391425 WGEFIJKSAZPEFZ-MNCIPDHPSA-N 444.524 3.311 0 1 IGAF Cn1nc(-c2ccccc2)cc1[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)COc1ccccc1 2356865778 WMLVNXKFXNRSPJ-QZNHQXDQSA-N 430.552 3.460 0 1 IGAF Cc1ncc2c(c1CNC(=O)Cc1ccsc1)CCN(C(=O)c1ccc3c(c1)OCO3)C2 11911464 IMFGJAZLWHAQMW-UHFFFAOYSA-N 449.532 3.238 0 1 IGAF COC(=O)[C@@H]1C[C@@H](NCc2n[nH]c3cccc(OCc4ccc(C(C)(C)C)cc4)c23)CN1 26719957 BIOAAXSNIUOSRQ-QUCCMNQESA-N 436.556 3.433 0 1 IGAF Cc1onc(NC(=O)NCC(=O)O)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 28569449 WXXIVTGJALXTJV-UHFFFAOYSA-N 441.284 3.168 0 1 IGAF COc1ccccc1O[C@@H](c1cccc(I)c1)[C@H]1CNCCO1 28881111 MGRHQJGGNQRJSA-MSOLQXFVSA-N 425.266 3.408 0 1 IGAF CN(C)c1ccc(C(=O)OC[C@@]2(CO)C/C(=C/c3cnc4ccccc4c3)C(=O)O2)cc1 40407038 DEQHLCSNLCBPHA-NIAMQAJOSA-N 432.476 3.219 0 1 IGAF O=C1N[C@](c2ccc(Cl)cc2)(C2CC2)C(=O)N1CN1CCN(c2ccccc2F)CC1 72124909 SKMXFWGONCPTIR-QHCPKHFHSA-N 442.922 3.416 0 1 IGAF COc1cc2c(cc1OC)[C@@H]1CN(C(=O)c3ccc(C(F)(F)F)cc3)CC(=O)N1CC2 73218970 CFWDUKXJHSNGCT-KRWDZBQOSA-N 434.414 3.304 0 1 IGAF COCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O 82158005 KFVUSZPWUZBAPF-KWMFLVSKSA-N 434.485 3.058 0 1 IGAF C[C@H]1CN([C@@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@H]1CN(C)C 95715716 NDWRSXXPENLXNY-XISGQGKSSA-N 444.597 3.187 0 1 IGAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N[C@@H](C)c3ccccc3)[C@@H]2N1CC1CC1 95880230 HWDXJZFTBKIHHT-JVRFKCRKSA-N 447.579 3.132 0 1 IGAF O=C(CCCCCOc1ccc(-c2ccccc2)cc1)OC[C@H](O)[C@H]1OC(=O)C(O)=C1O 101069170 KSNUWKWCZAUYTB-WMZHIEFXSA-N 442.464 3.450 0 1 IGAF COc1ccc(OC)c([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2c2cc(C)on2)c1 110737825 KAQUCQHQTBVGSG-ROUUACIJSA-N 426.450 3.218 0 1 IGAF C[C@@H]1CN(Cc2c[nH]nc2-c2nc3cnccc3[nH]2)CCN1c1ccc(C(F)(F)F)cn1 115173216 PCOZJRMZKUNDAD-CYBMUJFWSA-N 442.449 3.473 0 1 IGAF O[C@H]1CC[C@H](n2c3cnccc3c3cnc(Nc4ccc(N5CCNCC5)cn4)nc32)CC1 117683794 XMWHZKQZVIMLTH-MAEOIBBWSA-N 444.543 3.004 0 1 IGAF Cc1ccc(-n2nc(-c3ccnc(CO)c3)cc2NC(=O)c2cnn3cccnc23)cc1 145873102 COGQFIZACPTOSK-UHFFFAOYSA-N 425.452 3.030 0 1 IGAF O=C(Nc1ccc(OC2CCN(C(=O)[C@H]3CCCO3)CC2)cc1)N1Cc2ccncc2C1 166268732 UDEHVJMKJWNBSQ-JOCHJYFZSA-N 436.512 3.178 0 1 IGAF O=C(NCC1(N2CCOCC2)CCCC1)c1ccc(NC(=O)N2Cc3ccncc3C2)cc1 166949371 SGTBWNNBOOPACZ-UHFFFAOYSA-N 449.555 3.004 0 1 IGAF COc1cc(OC)c([C@@H]2CCN(C)[C@@H]2CO)c(O)c1-c1cc(-c2ccccc2F)[nH]n1 169352569 GJCPFXOLPBUQTP-RDTXWAMCSA-N 427.476 3.386 0 1 IGAF Cc1cc(CN2CCOCC2)ccc1C(=O)Cn1ccc(OCc2ccccc2)cc1=O 169711373 PTNFMHGMHIVFHX-UHFFFAOYSA-N 432.520 3.451 0 1 IGAF CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1cccc(F)c1 199682658 FWLGKXSTJRFQRI-BJKOFHAPSA-N 446.588 3.394 0 1 IGAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cccc(C(N)=O)c2[nH]1 586938075 ULTPTXJAQUUSQD-MRXNPFEDSA-N 432.571 3.051 0 1 IGAF CCCc1c(O)ccc2c1O[C@]1(CC[C@@H]3CN(C(=O)OC)[C@H](C(=O)O)C[C@H]3C1)CC2=O 587489839 WJTBCQOOHMAEGH-FXAQIRDQSA-N 431.485 3.390 0 1 IGAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C[S@@](=O)Cn1cc(Cl)cn1 587863443 KFCLGQKULSASHB-GDLZYMKVSA-N 446.838 3.474 0 1 IGAF O=C(CN1C(=O)N[C@]2(CCc3cc(Br)ccc32)C1=O)c1ccc(F)cc1F 1857566150 CNKRKEVCVHPEJI-IBGZPJMESA-N 435.224 3.304 0 1 IGAF O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1 4239100 JUWBAQPRRKPVNW-UHFFFAOYSA-N 435.434 3.017 0 1 IGAF CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@H](NC(C)=O)[C@H](C)C(=O)N[C@@H](C)C(=O)O 13537716 JTOZWTDCDPQQIV-QIBNFDNFSA-N 444.572 3.113 0 1 IGAF C[C@H]1CNC[C@@H](C)N1C(=O)N1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccc(F)cc21 13796168 JCYMCDKXDFYNTC-OKILXGFUSA-N 429.496 3.089 0 1 IGAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)O 15957869 ZUSLTNVVLZIBMU-GSIPUQMKSA-N 446.540 3.227 0 1 IGAF biogenic CN(C)c1nsc(-c2ccc(N3CCN(c4cccc(C(F)(F)F)c4)CC3)nn2)n1 27649955 CYPDGFVVZVUJNE-UHFFFAOYSA-N 435.479 3.407 0 1 IGAF CCCCN1CC2(CN1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=O)CCC2=O 66101392 RBVVPETZPXUZOD-UHFFFAOYSA-N 444.539 3.285 0 1 IGAF COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1 95594199 IHJZXCJKSRQJCM-UHFFFAOYSA-N 438.576 3.276 0 1 IGAF CCCN(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C 95701445 LQVSPGWVOASTFN-JBYIUTFZSA-N 436.618 3.364 0 1 IGAF Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)nc31)CNCC2 168649983 ADTGSSBZMYUZDT-UHFFFAOYSA-N 425.414 3.451 0 1 IGAF CO[C@@H]1/C=C\C=C/C=C\C[C@@H](C[C@@H](C)O)OC(=O)/C=C\C=C/C=C\C[C@@H](O)C[C@@H](O)C1 169291026 RVOQCIAUFIYHFP-GTIVSRCISA-N 432.557 3.317 0 1 IGAF COc1cc2c(cc1OC)[C@]1(c3cc(OC)c(OC)c(OC)c3)OC[C@@]13[C@H]1[C@@H]2OC[C@H]13 253636619 UKKISEARMRFGRE-JMFILQQVSA-N 426.465 3.321 0 1 IGAF COC(=O)[C@@]1(Cc2cccc(OC)c2)CC(=O)O[C@H]1c1cc(OC)c(OC)c(OC)c1 299840940 WYHOQOVNZLAVDA-GMAHTHKFSA-N 430.453 3.111 0 1 IGAF CS(=O)(=O)c1ccc(-c2cnn3ccc(-c4cccc(S(C)(=O)=O)c4)cc23)cc1 473154332 GIVLVIYPKNLOMU-UHFFFAOYSA-N 426.519 3.475 0 1 IGAF CCCCOc1cc2[nH]c(-c3cc(S(=O)(=O)NC)cn3C)nc2cc1Br 586947637 XFOMOKVHNNPTGB-UHFFFAOYSA-N 441.351 3.418 0 1 IGAF COC(=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1OC 587113370 QPNILEFXTHIABI-UHFFFAOYSA-N 432.362 3.079 0 1 IGAF CCc1c(C)[nH]c2c1[C@@]1(Oc3cc(OC)cc4c3C(=O)[C@H]1C4)[C@@H](CN1CCOCC1)CC2 587442263 IALXNXISXNGDQK-AGTLBBOYSA-N 436.552 3.432 0 1 IGAF Cn1ncc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567964 GHQMFRJIKYCUMP-KBXCAEBGSA-N 448.216 3.433 0 1 IGAF C=CN1CC[C@H]([C@]2(c3cnccn3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1=O 587768175 LCGOKPONVZHOLZ-VQZRKKFQSA-N 431.309 3.148 0 1 IGAF CC(C)n1cc(C(=O)c2cc(NC(=O)Cn3cc(C4CC4)nn3)ccn2)c2cnccc21 1772642513 ADASEYICCFNKLI-UHFFFAOYSA-N 429.484 3.351 0 1 IGAF COc1ccc(-c2cn3cc(C(=O)NCCCN4CCCCC4)cc(N)c3n2)cc1OC 1857536881 ANCJHHHJBZYOPV-UHFFFAOYSA-N 437.544 3.207 0 1 IGAF Cc1cc(OCc2cccnc2)c(C)c2c1CC[C@H]([C@@H](C)C(=O)N1CCN(C)CC1)[C@@H]2O 36355980 DZFGLQMZNYWQDW-KPCPBYSCSA-N 437.584 3.283 0 1 IGAF biogenic CC[C@H](C)[C@H](NC(=O)N1CCC2(CC1)C(=O)N(C)[C@@H]2c1ccc(Cl)cc1)C(=O)OC 62213043 WZWCQAIOXPCSJI-JCGIZDLHSA-N 435.952 3.233 0 1 IGAF NS(=O)(=O)c1ccc(N2N=C(c3noc(S)n3)C[C@H]2c2ccc(Cl)cc2)cc1 73361033 BYCUEPLIMMIXJS-HNNXBMFYSA-N 435.918 3.015 0 1 IGAF CC[C@H](C)Nc1ncc(C(=O)NCCCOC)c(-c2cc(OC)c(OC)c(OC)c2)n1 82143527 KYXZDVHDKIAEHG-AWEZNQCLSA-N 432.521 3.146 0 1 IGAF C[C@H]1CN([C@H](C)CO)S(=O)(=O)c2ccc(/C=C/c3ccccc3)cc2O[C@@H]1CN(C)C 95715730 NDWRSXXPENLXNY-CUTJUWDOSA-N 444.597 3.187 0 1 IGAF Cn1c(=O)c(S(=O)(=O)c2ccccc2)cc2cnc(Nc3ccc4cc[nH]c4c3)nc21 198723175 RBRAMJHAVWRTPH-UHFFFAOYSA-N 431.477 3.386 0 1 IGAF CO[C@@H]1C=CC=CC=CC[C@H](C[C@H](C)O)OC(=O)C=CC=CC=CC[C@H](O)C[C@@H](O)C1 253760992 RVOQCIAUFIYHFP-QJUOVVKFSA-N 432.557 3.317 0 1 IGAF CNC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(OCC4CC4)c3F)C2)cc1 261143425 NLUUHTBEJYQWSZ-KBXCAEBGSA-N 429.496 3.052 0 1 IGAF CS(=O)(=O)c1ccc(COC[C@@H]2C[C@@H]2C2CCN(c3ncc(F)cn3)CC2)cc1F 473136991 VYUZUCFTYUNDMX-FUHWJXTLSA-N 437.512 3.228 0 1 IGAF CN1CCN(c2ccc3nc(-c4nnn(Cc5cccc(F)c5)c4Cl)[nH]c3c2)CC1 587160914 IHCSXHWHKAJTAN-UHFFFAOYSA-N 425.899 3.414 0 1 IGAF CN(C)S(=O)(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 587172302 FLHGAUYRIDLKFB-UHFFFAOYSA-N 444.463 3.408 0 1 IGAF CCOC(=O)Cc1ccc2nc([C@@H](C)n3ncc(I)c3C)[nH]c2c1 587182847 SXIDHTUJPKIGTH-LLVKDONJSA-N 438.269 3.387 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587416494 CEKRIOQVPSRHEK-VFNWGFHPSA-N 445.265 3.233 0 1 IGAF C[C@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587534117 WWBDSLLXIISKOB-XMMPIXPASA-N 441.549 3.467 0 1 IGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccc(Br)c1)C(O)O 587538179 CURVWLXMBOBYGA-DYESRHJHSA-N 443.249 3.323 0 1 IGAF CCOC(=O)[C@@]1(c2cnc3ccccn23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589913 YRYSRSUDCZWADS-RDPSFJRHSA-N 430.416 3.460 0 1 IGAF CCN(CC)c1ccc(-c2nn(-c3ncnc4c3cnn4C)c(=O)c3ccccc23)c(O)c1 587667155 HYJJKJPAVFNWJS-UHFFFAOYSA-N 441.495 3.281 0 1 IGAF C[C@]1(O)CCN(Cc2cncnc2)[C@@H](c2cccs2)[C@H]1NC(=O)c1ccc(F)cc1 2356288658 IOIDLRRUXKXDLU-VWPQPMDRSA-N 426.517 3.174 0 1 IGAF CCOC(=O)C1=CC[C@@]23CC[C@@H]([C@](C)(C=CC=C(C)C(=O)O)OC2=O)[C@@]3(OC(C)=O)CC1 2356293390 GSKWIWOAUZQVES-ABQRKTDGSA-N 446.496 3.261 0 1 IGAF CC1=C[C@H](CNC(=O)COc2ccccc2)[C@@H](C(C)C)C[C@H]1CC(=O)N1CCN(C)CC1 2356305289 SWTQFVNKARZODO-WMTXJRDZSA-N 441.616 3.200 0 1 IGAF COCC=Cc1cc(OC)c(O[C@H](CO)[C@@H](OC)c2cc(O)cc(OC)c2)c(OC)c1 2356416835 HIENHJXRSIJBSM-YADHBBJMSA-N 434.485 3.205 0 1 IGAF O=C1[C@H]2C[C@@H](CN2C(=O)c2ccc3c(c2)OCO3)Oc2ccccc2N1Cc1ccccn1 2356738281 IEBUHDALUHIFKA-AZUAARDMSA-N 443.459 3.019 0 1 IGAF COc1ccc(CC(=O)NCC2CCN(C(=O)C(=O)c3cc4ccccc4o3)CC2)cc1 199720416 PYFWFTDZGWZJAF-UHFFFAOYSA-N 434.492 3.222 0 3 IGAF CCN(CC)CCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(OC)cc1OC 4296174 KYROUZKORBPBOT-GGAORHGYSA-N 425.529 3.254 0 1 IGAF CCCCOc1ncc([C@@H](C)O)cc1-c1nc(O)c2nn(C3CN(CC)C3)c(CC)c2n1 24716039 RLMYIBANPYJYTP-CQSZACIVSA-N 440.548 3.265 0 1 IGAF CC(C)C(=O)OCC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3C(=O)C[C@@]21C 27518965 UHWOAYITUVVFCV-DDOBVDPWSA-N 434.529 3.226 0 1 IGAF Cc1ccc(-c2nnn(CC(=O)N(C3CCCCC3)[C@H](C)C(=O)NC3CCCC3)n2)cc1 33636541 OYZHEVBWHINBJA-GOSISDBHSA-N 438.576 3.257 0 1 IGAF CN1CCC[C@H](n2cc(S(=O)(=O)c3c(Cl)nc4sccn34)c3cccnc32)C1 38513720 USGWILIMLVFFGV-LBPRGKRZSA-N 435.962 3.498 0 1 IGAF CN(c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)c(Cl)c1)C2)S(C)(=O)=O 40896600 YZVOXLFZRQBAIO-UHFFFAOYSA-N 449.891 3.285 0 1 IGAF O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cn1 49112866 XMZLAALFKXKNLF-UHFFFAOYSA-N 439.512 3.135 0 1 IGAF CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)NC4CCCCC4)ccc3O[C@@H]2[C@H](CO)O1 95901762 ALHQUDNRSCILRO-YZBYQZESSA-N 445.560 3.052 0 1 IGAF CC1(O)CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccn[nH]2)C1 224417216 NOQBIJFUHRTIRO-UHFFFAOYSA-N 433.390 3.194 0 1 IGAF Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)CC(=O)NC4=O)cc2)cn1 299854593 ACQYMGJSHAQOOW-UHFFFAOYSA-N 435.915 3.436 0 1 IGAF O=C(O)COc1ccc(Nc2ncc(F)c(Nc3ccc(OCC(=O)O)cc3)n2)cc1 299864127 MAACPYOAIQQPFU-UHFFFAOYSA-N 428.376 3.030 0 1 IGAF CCOC(=O)[C@@H]1C[C@H]2Cc3nc4ccc(O)c5c4c(c3C[C@H]2CN1)-c1ccccc1C5=O 586989700 PWBGIEAXOMJNFU-CKNLXJGOSA-N 428.488 3.408 0 1 IGAF CNS(=O)(=O)c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587606332 HBMIEKYNSVHHHD-KNQAVFIVSA-N 425.462 3.177 0 1 IGAF COC(=O)[C@]1(CC(=O)c2cc(C)on2)N[C@H](C)Cc2cc(Br)c(F)cc21 587795437 OSMNHAICEPQTCV-DYBLOJMWSA-N 425.254 3.060 0 1 IGAF C[C@H]1CCc2cc(C(=O)N(C)Cc3ccc[n+](C)c3)ccc2N1C(=O)c1ccc(O)cc1O 653667300 MJDOETCLTIAWPE-KRWDZBQOSA-O 446.527 3.176 0 1 IGAF COc1cccc(I)c1[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962890034 APULVEOPTQVFAE-BLLLJJGKSA-N 427.213 3.127 0 1 IGAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cccc(S(=O)(=O)N3CCOCC3)c2)N1 962943441 GXHKMYBTCSWABK-UUOWRZLLSA-N 439.581 3.377 0 1 IGAF O=C(O)c1cccc2c1CCN[C@H]2c1c(NCc2ccccc2)nc2ccccn2c1=O 963136155 YUDASCQJTTWKHV-JOCHJYFZSA-N 426.476 3.240 0 1 IGAF Cc1ccc(C)c2c1NC(=O)[C@]21c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963144860 MQRDAQFGEUIAOO-LRTDBIEQSA-N 429.498 3.202 0 1 IGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CC(=O)C[C@H](c2ccccc2)[C@@H]1n1cncn1 963636077 OSTIIZDBEMXYFN-CSHOJPIFSA-N 432.524 3.413 0 1 IGAF O=C(Cc1ccc(Cl)cc1)Nc1cc(C(=O)c2cn(CCO)c3ccncc23)ccn1 1772588951 UHXKOGBMRSXYME-UHFFFAOYSA-N 434.883 3.489 0 1 IGAF C[C@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2cccc(Cl)c2)C1 1772615290 MBACPPNSSFXNCQ-CYBMUJFWSA-N 429.908 3.361 0 1 IGAF Cc1ccc(-c2cc(Nc3cc(O)cc(O)c3C(=O)N3Cc4c[nH]nc4C3)n(C)n2)cc1 1857571572 VDFIECYFKHNTPF-UHFFFAOYSA-N 430.468 3.429 0 1 IGAF COc1cc(=O)oc2c1[C@H](O[C@@H]1O[C@H](C)[C@H](C)c3oc(=O)cc(OC)c31)O[C@H](C)[C@@H]2C 2356561611 CGCDOVOCJQXOOK-MOPNOLRJSA-N 434.441 3.369 0 1 IGAF Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)N3CCC[C@@H](C)C3)cc2c1 12465988 FCMYNNFNLZEDLH-QOEFQVSFSA-N 436.560 3.132 0 3 IGAF COc1cc2c(cc1OC)C(=O)N(CCN1C[C@@H]3CCc4c(OC)cccc4[C@@H]3C1)CN2 13863040 AXGQSWAGPJPUTJ-OXJNMPFZSA-N 437.540 3.199 0 1 IGAF O=C(O)CSCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(-c2ccc3ccccc3c2)c1=O 25418965 KXJSDPOQEJKLAC-UZLBHIALSA-N 448.544 3.432 0 1 IGAF biogenic NC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2 34111178 OOZRFFVYRKXFKQ-KRWDZBQOSA-N 431.920 3.040 0 1 IGAF C[C@]1(CO)CCC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H](O)O[C@@H](C3=CC(=O)O[C@H]3O)C[C@H]21 40954051 ILNQYSBBUXQHRX-VILNTEJSSA-N 434.573 3.143 0 1 IGAF COc1cc2nc(N3CCCN(C)CC3)nc(NCCc3ccc(O)cc3)c2cc1OC 82128822 URDXWKHNDIPCBW-UHFFFAOYSA-N 437.544 3.149 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCCc1cc(OC)cc(OC)c1 82199938 NJHQPRWWXFCBSU-QGSBXBEJSA-N 432.561 3.115 0 1 IGAF CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)N1CCCC1)C3 82222887 SPHQUQKFPANJEL-UHFFFAOYSA-N 425.455 3.059 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@@H](C)N(C)C[C@@H]1C 95688537 BBNOXYVHIXNILT-YZZKKUAISA-N 439.556 3.375 0 1 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3.159 0 1 IGAF O=C(CC1CCN(C(=O)OCc2cc(Cl)cc(Cl)c2)CC1)NCCc1cn[nH]n1 217887249 SKMSWZDQKZXGPM-UHFFFAOYSA-N 440.331 3.209 0 1 IGAF CS(=O)(=O)c1ccc(Nc2ncc3ccnc(N4CCC5(COC5)C4)c3n2)c(Cl)c1 223711872 UCABSIMGUOLGSE-UHFFFAOYSA-N 445.932 3.052 0 1 IGAF CC1=C[C@]2(CC(=O)N1CCCC(=O)O)N[C@H](C)Cc1cc(Br)c(F)cc12 587759963 NHMRDAAFQWLMNT-NSPYISDASA-N 425.298 3.319 0 1 IGAF CCc1nc(-c2ccc(-c3ccc(CC[C@](N)(CO)COP(=O)(O)O)cc3)cc2)co1 653723610 LWBXSTRPHHBOPE-QFIPXVFZSA-N 446.440 3.303 0 1 IGAF COC(=O)c1ccc([C@]2(C3CCNCC3)NCCc3cnc4c(OC)cccc4c32)cc1 963068775 QNKMDCWQRIHLGC-AREMUKBSSA-N 431.536 3.419 0 1 IGAF Cc1cccc([C@]2(c3cccc(Cl)c3)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1 963211532 CDTPIRXAIVRBPW-WATLYSKOSA-N 446.938 3.421 0 1 IGAF O=C1C=C(C(F)(F)F)N[C@@H]([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)N1 963816756 HNIJVDXSOMIFOV-FGZHOGPDSA-N 442.441 3.425 0 1 IGAF CN[C@@H](C)C(=O)Nc1cc(-c2c(C)ccc3ncccc23)cc(NC(=O)c2ccncn2)n1 1772580113 BHCOUEILXIDMOA-HNNXBMFYSA-N 441.495 3.194 0 1 IGAF Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4sccc34)CC1)CCC[C@@]2(C)O 1772582351 FIIKFPYCOKYZNU-XMMPIXPASA-N 438.597 3.132 0 1 IGAF Cc1cc(OCC(=O)NCCS(=O)(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857546481 CYTGYCQRZVZUBH-UHFFFAOYSA-N 435.542 3.106 0 1 IGAF CC(=O)N1CCC(N[C@@H]2CC(C)(C)[C@@H]3C[C@](C)(O)CC[C@]32CCC(=O)N2CCCC2)CC1 2356872861 ZBSMBOUJSILFQA-QTDJFWLRSA-N 447.664 3.326 0 1 IGAF CC(C)(C(=O)NCc1ccc2c(c1)OCCO2)n1cc(-c2ccc3c(c2)OCCO3)cn1 205233897 QJDQTRPJSLKOSS-UHFFFAOYSA-N 435.480 3.144 0 3 IGAF COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)oc3ccccc13)C2=O 13744337 SGPCEYHONDSVHD-UHFFFAOYSA-N 429.450 3.106 0 1 IGAF CCCCOCCCNC(=O)[C@@H]1C[C@@H](OCCCC)CN1C(=O)Cc1ccccc1OC 82198872 HRCMGDLTLDDTQF-YADHBBJMSA-N 448.604 3.347 0 1 IGAF CCOC(=O)[C@@]1(C(=O)NCc2ccc(OC)cc2)C[C@@H]1c1cc(OC)c(OC)c(OC)c1 95597899 OLSAKKGEDBWFLQ-KOSHJBKYSA-N 443.496 3.074 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(C)CC1 95663661 PREBDFYCWRDAAI-OAQYLSRUSA-N 437.515 3.468 0 1 IGAF CCCNC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CCC)[C@@H](C)CO2 95691481 RPQYAYCERJLDHX-FGSXEWAUSA-N 448.608 3.434 0 1 IGAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc(CN[C@H](C)C(=O)O)cc2C)ncn1 144528884 OOKCAAOELPGEMD-MRXNPFEDSA-N 425.533 3.226 0 1 IGAF CCc1cc(CNC(=O)c2ccc(OC)c(OC(=O)c3ccc(OC)c(O)c3)c2)on1 169303625 GGOJHJFYXJEWQB-UHFFFAOYSA-N 426.425 3.109 0 1 IGAF CCCCNc1ncc(C(=O)NC2CCN(C(C)C)CC2)c(N[C@H]2CC[C@H](O)CC2)n1 261087807 CXDXWPGEWIRDBS-UAPYVXQJSA-N 432.613 3.007 0 1 IGAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cnc4ccccc4c3[nH]2)cc1 586939735 DLKIJRLPLRTXKR-FQEVSTJZSA-N 449.536 3.062 0 1 IGAF C[C@H](Sc1nc(N)cc(O)n1)c1nc2c(I)cnc(Cl)c2[nH]1 586963289 ZIKOXPKNMXZPPD-BYPYZUCNSA-N 448.677 3.147 0 1 IGAF CNC(=O)c1cccc(Nc2ncnc(N3CC(COc4ccc(Cl)c(F)c4)C3)n2)c1 1772634268 GPQUHETWSCGNMV-UHFFFAOYSA-N 442.882 3.283 0 1 IGAF Cc1cc(C)c(CNc2[nH]c(-c3ccc(N4CCN(C)CC4)cc3)nc3ncnc2-3)c(O)n1 1857556200 NDFRMPJDJGYLOS-UHFFFAOYSA-N 444.543 3.053 0 1 IGAF COc1ccc(OC)c(Cc2cc(C)nn(CC(=O)Nc3ccc(Cl)cc3)c2=O)c1 1857592860 VQCALKNQUPUYNG-UHFFFAOYSA-N 427.888 3.452 0 1 IGAF CC[C@@H]1C(=O)N(C)c2cnc(-n3ccc4cc(C(=O)NC)ccc43)nc2N1C1CCCC1 1857749409 TWYRQXNMQMYEGC-GOSISDBHSA-N 432.528 3.284 0 1 IGAF COc1ccccc1CNC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(C)=O)[C@H](C)[C@H]2[C@H]1O 2356369498 XLWLVPAMEBAFSB-QGMYGYSZSA-N 430.589 3.276 0 1 IGAF CC[C@H]1[C@H](CC(C)=O)N2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@H]1C(=COC)C(=O)OC 2356520003 VWNYHBABHBBFQC-SXUHEFAVSA-N 440.540 3.048 0 1 IGAF CO[C@@H]1CC(=O)[C@]23C(=O)N[C@H](CC(C)C)[C@@H]2[C@H](C)C(C)=C[C@@H]3C=C(C)C[C@@H](CO)C[C@H]1O 2356791660 IVHIYFAYONFDBJ-QSRSILRBSA-N 447.616 3.029 0 1 IGAF O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCCN1C(=O)c1cccc(Cl)c1 198623167 OLQHSKUZYBZHRA-LEWJYISDSA-N 439.943 3.252 0 3 IGAF CC[C@@]1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(C[C@@H]2COc3ccccc3O2)C1=O 12026545 KQYKLQASQVGJEY-DVECYGJZSA-N 439.512 3.032 0 1 IGAF COc1cc([C@@H](c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@@H]2C)cc(OC)c1OC 15044826 BKBNELRCROXDSH-URFZZILJSA-N 430.453 3.391 0 1 IGAF CC(=O)Nc1cc(C(=O)NCCCN2CCOCC2)ccc1Sc1ccc(F)cc1 33745841 UHCLYBRUSXZSQA-UHFFFAOYSA-N 431.533 3.387 0 1 IGAF CN1CCN(C2=Nc3cc(Cl)ccc3N(NC(=O)c3ccon3)c3ccccc32)CC1 36089436 XWSLVHMENQYJFV-UHFFFAOYSA-N 436.903 3.450 0 1 IGAF COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(NC(=O)c2ccsc2)CC1 45505787 LQHWKJSTNYOMIK-UHFFFAOYSA-N 437.949 3.044 0 1 IGAF COC(=O)c1ccc2c(c1)c1c(n2CCCN2CCC[C@H](C(=O)N(C)C)C2)CCCC1 73167039 AUHKOGVKULFDQF-IBGZPJMESA-N 425.573 3.497 0 1 IGAF CSc1ncc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccn2)n1Nc1ccccc1 103171313 XCOZLOCLLYUCKX-SFHVURJKSA-N 435.513 3.142 0 1 IGAF O=C1NCc2ccc(-c3n[nH]c([C@H]4CCCCN4C(=O)COc4ccccc4)n3)cc2N1 143974140 QPDWSFSZLFQLSM-LJQANCHMSA-N 432.484 3.239 0 1 IGAF COc1cc2c3c(c1)O[C@@](CS(C)(=O)=O)(c1ccc(Br)cc1)[C@@H](C2)C3=O 587450301 SOPMPDBGJABQFH-KXBFYZLASA-N 437.311 3.145 0 1 IGAF COc1cc2c(cc1OC)[C@]1(CCC[C@H]2C(=O)O)NCCc2ccc(C(=O)N(C)C)cc21 962931047 ZJRLSYFOBQTEPY-CRICUBBOSA-N 438.524 3.147 0 1 IGAF COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(CN3CCCC3)sc21 1857554072 ABAQWAPMAZBEMR-UHFFFAOYSA-N 427.570 3.018 0 1 IGAF CCCC(=O)OC[C@@H]1[C@H](c2ccc(O)c(OC)c2)OC[C@]1(O)Cc1ccc(O)c(OC)c1 2356544193 GLVJBBUJACXZKA-GAZXMLTASA-N 446.496 3.120 0 1 IGAF CCc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)N(CC)c3ccccc3)C2)cc1 6751066 UJRIYYHULGOFDD-NRFANRHFSA-N 429.586 3.349 0 3 IGAF O=C1c2ccccc2[C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1ccc(F)cc1 95599496 RQROTRKTOCJPTC-QFIPXVFZSA-N 443.438 3.318 0 3 IGAF NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3ccccc3c2Cl)cc1 1554301 MFKKOBLWAUMGNF-UHFFFAOYSA-N 431.989 3.453 0 1 IGAF CC1CCC(NC(=O)c2cc(=O)[nH]c3ccc(S(=O)(=O)N4CCCCCC4)cc23)CC1 8661319 ZNKFECWCVFDCNY-UHFFFAOYSA-N 445.585 3.401 0 1 IGAF O=C1c2c(O)cc(O)cc2O[C@@H](c2ccc(O)cc2)[C@H]1c1c(O)cc(O)c2c(=O)ccoc12 13480340 WNBLZPGLZHQKPS-GMAHTHKFSA-N 448.383 3.421 0 1 IGAF endogenous,in-man CCCC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)C1 13832111 SSNIDNNYVUIGSX-KRWDZBQOSA-N 426.388 3.471 0 1 IGAF COc1ccc(-c2ccc3c(c2)C(=O)N2CCN(C(=O)C4CCCC4)C[C@@H]2C(=O)N3)cc1 25207893 CNKJGJGMCFKBIM-JOCHJYFZSA-N 433.508 3.158 0 1 IGAF biogenic CN1[C@H]2CC[C@@H]1[C@H](C(=O)N1CCCO1)[C@H](c1ccc(I)cc1)C2 36271104 QCUDYJXEEDCQAN-MWDXBVQZSA-N 426.298 3.021 0 1 IGAF COc1ccc(CC(=O)Nc2cccc(C(=O)NCC[C@H]3CCCNC3)c2)cc1OC 45354485 ZSSXFZUQZVZFTR-QGZVFWFLSA-N 425.529 3.005 0 1 IGAF CN(C)CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1csc(Nc2ccccc2)n1 82081123 RAFNQOXIJBTEER-LJQANCHMSA-N 438.553 3.333 0 1 IGAF CC(C)C[C@H]1CN(c2ccc(OCC(F)(F)F)c(C(=O)c3cccnc3N)n2)CCN1 84758314 RRVDGFUPCMKXQB-AWEZNQCLSA-N 437.466 3.055 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)NC3CCCC3)ccc2OC[C@@H](C)N(C)C[C@@H]1C 95871948 MRVRYOHBFJFSBS-JKSBSHDWSA-N 446.592 3.187 0 1 IGAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N3CCCCN(S(=O)(=O)c4ccccc4)C[C@@H]23)cc1 95874284 UQBFJPNJZYIINJ-OCGGFLPMSA-N 426.582 3.333 0 1 IGAF CC(C)CNCC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(=O)CNCC(C)C)ccc1-2 96938164 LKKBQUJXWYZCDZ-UHFFFAOYSA-N 436.556 3.266 0 1 IGAF COc1cccc(-c2cc(C(N)=O)c3[nH]c4ccc(C(=O)N5CCN(C)CC5)cc4c3c2)c1 113207749 YVYPLXQTNBRTDY-UHFFFAOYSA-N 442.519 3.483 0 1 IGAF O=C(Nc1ccc(C(F)(F)F)cn1)N1CCC(F)(c2ncc([C@@H](O)CO)cc2F)CC1 141072026 PJQVTLWDZREZHZ-AWEZNQCLSA-N 446.376 3.153 0 1 IGAF O=C(Nc1ccc(C2=CCN(C(=O)C3CCOCC3)CC2)nc1)N1Cc2ccncc2C1 166959165 QBOQNMAOHAKBIM-UHFFFAOYSA-N 433.512 3.067 0 1 IGAF O=C1C(=O)N(Cc2ccncc2)[C@H](c2ccccc2F)[C@@H]1C(=O)c1ccc2c(c1)OCCO2 169693854 IDEQCACINOYXNU-FGZHOGPDSA-N 446.434 3.144 0 1 IGAF NC(=O)c1cccc(CN2C(=O)N[C@H](CCc3ccccc3)[C@H](O)[C@H]2Cc2ccccc2)c1 299847997 LEKZXRMIXMQSLA-SDHSZQHLSA-N 443.547 3.284 0 1 IGAF CCCCS(=O)(=O)N[C@@H](c1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1)C(C)C 586932842 JOVWNPADMUIDOF-GOSISDBHSA-N 444.623 3.010 0 1 IGAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2N)C1 586954454 BMTGWFKWKXKYLS-UHFFFAOYSA-N 426.420 3.028 0 1 IGAF CCCCNS(=O)(=O)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 586995240 HQDIMRACLQHGNR-QGZVFWFLSA-N 438.347 3.486 0 1 IGAF CCN(CC)S(=O)(=O)c1ccc2nc(CCNC(=O)OCc3ccccc3)[nH]c2c1 587228838 ZFJRZWDISRYZPT-UHFFFAOYSA-N 430.530 3.062 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]41)[C@@H]2[C@@H]5C31OCCO1 587837400 GLPCOMWBMIJMFK-REDKYVSZSA-N 432.333 3.449 0 1 IGAF Cc1cccc([C@@]2(CS(C)(=O)=O)N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587851921 YHPPFDYJXCRUND-SGTLLEGYSA-N 427.339 3.114 0 1 IGAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2nn(-c3ccc(OC)cc3)c(=O)nc2O)N1 962954665 XKDDOIUIZPEWHG-JBEBIEQOSA-N 431.496 3.011 0 1 IGAF CCOC(=O)CC[C@@]1(c2ccc(OC)c(OC)c2OC)NCCc2nc3ccccn3c21 962985589 QDHREYJAUGJWQZ-DEOSSOPVSA-N 439.512 3.093 0 1 IGAF CC(C)n1c(/C=C2\SC(=O)N(CC(=O)N3C[C@H](C)O[C@H](C)C3)C2=O)nc2ccccc21 1772616531 QCKSKGALQNXSMJ-GABTWENZSA-N 442.541 3.289 0 1 IGAF FC(F)c1cncc(-c2nc(=N[C@@H]3CCC(F)(F)C3)[nH]c(=N[C@H]3CCC(F)(F)C3)[nH]2)n1 1857653672 IYNSADUHPNFIGN-AOOOYVTPSA-N 447.387 3.309 0 1 IGAF COc1cccc2nc(C[C@@H]3CN(C(=O)COc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c12 2356316261 PJEPDLLPFKEQSN-IAGOWNOFSA-N 437.496 3.132 0 1 IGAF Cc1nc(-c2ccco2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNC(=O)CC(C)(C)CC(=O)O)n1 2356863618 VHGHGVHONVATIK-OKZBNKHCSA-N 440.544 3.230 0 1 IGAF CNC(=O)NCc1ccccc1-c1cccc2cc(C(=O)N[C@H]3CN4CCC3CC4)oc12 3928208 BCPXMMCKKHHZAM-NRFANRHFSA-N 432.524 3.353 0 1 IGAF COc1ccccc1[C@@H]1ON=C(c2ccc(Cl)cc2)[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 4076957 GSXXCAFBWLEOIG-XJABCFGWSA-N 441.915 3.177 0 1 IGAF CCCN1CC(=O)N2[C@@H](c3cccc(OC)c3OC)c3[nH]c4ccccc4c3C[C@@H]2C1=O 16043111 FZSKEBMKCPDKNV-XXBNENTESA-N 433.508 3.280 0 1 IGAF biogenic Brc1cccc(Nc2ncnc3ccncc23)c1NCCN1CCOCC1 29132872 VDSXZXJEWIWBCG-UHFFFAOYSA-N 429.322 3.275 0 1 IGAF O=C1O[C@@H](CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)CN1c1ccc(Cl)cc1 29412138 JOFFYZUACPHITB-SFHVURJKSA-N 430.888 3.378 0 1 IGAF COC(=O)/N=c1\[nH]c2ccc([C@@]3(O)c4ccccc4C(=O)N3Cc3cccc(C)c3)cc2[nH]1 34630997 VKKLDAOMDIUYCR-RUZDIDTESA-N 442.475 3.321 0 1 IGAF COc1ccc(CNc2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c3nccn23)cc1 38429303 FLXGGVDRCLMNRL-UHFFFAOYSA-N 448.483 3.210 0 1 IGAF CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 40863658 KFTJUHRBTZLHBL-RTWAWAEBSA-N 430.504 3.497 0 1 IGAF COC(=O)N1C[C@H]2[C@H](N3CCCC3)CC[C@@H]1CN2C(=O)Cc1ccc(Cl)c(Cl)c1 49072548 OMVSGZSRXSCVQR-LZQZEXGQSA-N 440.371 3.442 0 1 IGAF Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@@H](C)O3)O2)c(=O)[nH]c1=O 58586431 VNNRNHSLBICHPY-VSMKQGNZSA-N 440.776 3.247 0 1 IGAF O=C1N[C@@H]2CS[C@@H](CCCCCc3cn(CCCCOc4ccccc4)nn3)[C@H]2N1 89469562 AMDLWPSQISVHEM-HKBOAZHASA-N 429.590 3.406 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@H](C)NC[C@@H]1C 95692389 ULFQVHHILZHREN-PONJGIIJSA-N 443.519 3.172 0 1 IGAF Cc1c(C(=O)N(C)C)sc(NC(=O)C2=C(C(=O)O)CCC2)c1-c1nc(C2CC2)no1 147052888 YSPVSDWJFIABCM-UHFFFAOYSA-N 430.486 3.189 0 1 IGAF CCOCCCc1ccc2c(c1)[C@]1(N=C(N)N(CC(F)F)C1=O)C1(CCC(OC)CC1)C2 169700496 ZYNCNABWUAMIEC-FXLJNVFASA-N 449.542 3.405 0 1 IGAF O=S(=O)(NCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc2c(c1)OCCO2 586941223 GRJNDJAELHCDIY-UHFFFAOYSA-N 447.822 3.485 0 1 IGAF CCCCNS(=O)(=O)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587174125 MVNOBVXAYFVAJQ-OAQYLSRUSA-N 431.489 3.409 0 1 IGAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587202883 HJXJLNIUXOGEKV-NSHDSACASA-N 435.244 3.423 0 1 IGAF CCCOc1cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br 587204877 UDSQAEVPPRDMJD-CQSZACIVSA-N 425.327 3.193 0 1 IGAF O=C1CCc2cc([C@@]3(C(=O)O)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2N1 587596699 RASKANDDKIRAEG-HYBUGGRVSA-N 431.400 3.219 0 1 IGAF O=C1O[C@H]([C@@H](O)Cn2cc(C3CC3)nn2)C(OCc2ccccc2)=C1OCc1ccccc1 1857609844 PKOPBCSRRGMZRR-FCHUYYIVSA-N 447.491 3.087 0 1 IGAF C[C@H](C(=O)NC1CCCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3cncnc3)[C@H](C)[C@@H]2[C@H]1O 2356319342 AAZQACYYAIHREO-ANQVOQJFSA-N 442.604 3.093 0 1 IGAF Cc1cc2nc(CO[C@@H]3CN(Cc4ccc(S(C)(=O)=O)cc4)C[C@H]3F)[nH]c2cc1C 2356527069 VNRGVYUPZWBZSU-WIYYLYMNSA-N 431.533 3.322 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)[C@H](O)[C@](C)(O)[C@H](C)C2 2356592908 PJFZHXYACPYUQW-SZGOTMDKSA-N 432.469 3.093 0 1 IGAF COC[C@@H]1CCCN1C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)Nc1cccc(SC)c1 2356876005 ZGWMAPXILYHOOJ-QIJZPMMNSA-N 432.634 3.351 0 1 IGAF O=C(N[C@@H](C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)c1ccccc1)c1cccs1 198919481 ALMHLLWKAKAGRC-AZUAARDMSA-N 425.554 3.269 0 3 IGAF CCCCO[C@H]1C[C@@H](C(=O)NCc2ccccc2N)N(C(=O)c2cccnc2SC)C1 4209522 LDHZSIWNGSRLGM-PXNSSMCTSA-N 442.585 3.102 0 1 IGAF CNCc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832279 RYEXOLQLPFUDTC-UHFFFAOYSA-N 439.479 3.349 0 1 IGAF O=C(O)c1ccc(C(=O)OC[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)c2ccccc2)cc1 13862670 FUIJJPGTKXTOCC-FCHUYYIVSA-N 443.455 3.452 0 1 IGAF CN(C)CCN1C(=O)c2cccc3cc(NC(=O)Nc4ccc5c(c4)OCO5)cc(c23)C1=O 28712250 XZPXJZYUWPGLSC-UHFFFAOYSA-N 446.463 3.370 0 1 IGAF CC1(C)C[C@]2(OC(=O)N(Cc3ccc(NS(C)(=O)=O)cc3)C2=N)c2ccccc2O1 45285002 GOJFZGPPJFXDMX-NRFANRHFSA-N 429.498 3.444 0 1 IGAF C[C@@H](O)C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 49033466 ZHQUHDHFPDBIHU-QOTVXNQCSA-N 430.541 3.398 0 1 IGAF CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)OC[C@@H]2CCCN2C)cs1 82073626 QKSKZYPOBLYQFF-QFBILLFUSA-N 443.569 3.451 0 1 IGAF CCOC(=O)[C@@]1(C(=O)NCCc2cccc(F)c2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95598292 FGYGZZYLVLLNNY-UUOWRZLLSA-N 445.487 3.247 0 1 IGAF O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NC1CCCCC1 95899362 CUTMPUHEHQEQIE-FVSDWULHSA-N 442.556 3.259 0 1 IGAF O=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3CF)cc21 103299372 BPUYCCMTBNUYAN-HNNXBMFYSA-N 436.892 3.192 0 1 IGAF Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NCCCCCC(=O)N(C)O 116704746 NHYQUGKBNRDEOO-ATVHPVEESA-N 442.491 3.401 0 1 IGAF CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3ncncc3F)n[nH]c2C1(C)C)c1ccccc1 117594477 JHFXLYUQPIYHCP-QGZVFWFLSA-N 438.511 3.146 0 1 IGAF COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3CC/C(=C/C(=O)OCCN(C)C)[C@H](C)[C@@H]3[C@@H](O)C[C@@H]12 147970135 ZYHLLGTZEZUWFJ-OJLNUFEUSA-N 435.605 3.430 0 1 IGAF OCCN1CCN(CCCN2c3ccccc3S[C@@H]3C=CC(C(F)(F)F)=C[C@@H]32)CC1 169299326 FJTKBSUCKQKZQT-PZJWPPBQSA-N 439.547 3.394 0 1 IGAF CN(CC1CC1)C(=O)[C@@H]1CCCN(c2ccc3[nH]c(-c4ccnc(C5CC5)n4)nc3n2)C1 221408913 VGTMAJFXHBANQM-QGZVFWFLSA-N 431.544 3.377 0 1 IGAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587040196 LLOLDOLDNUFIGJ-QGZVFWFLSA-N 433.511 3.096 0 1 IGAF CC1=C(c2ccc3nc(C[C@H](N)c4ccc(Br)cc4F)[nH]c3c2)NNC(=O)C1 587145323 WTVFDTRMFWNQCT-HNNXBMFYSA-N 444.308 3.463 0 1 IGAF CC(C)COc1cc2nc([C@@H](CC(N)=O)NC(=O)CC(C)C)[nH]c2cc1Br 587202046 BCGMHVCOEILLBE-OAHLLOKOSA-N 439.354 3.439 0 1 IGAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 587202878 HJXJLNIUXOGEKV-LLVKDONJSA-N 435.244 3.423 0 1 IGAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1S(=O)(=O)N1CCOCC1)CC2=O 587491579 LTGJBPRIMUNHOE-FQEVSTJZSA-N 431.510 3.072 0 1 IGAF COc1nc(N)nc(N2CCCC2)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587765555 KABZNSNKHUINAR-QLJPJBMISA-N 436.329 3.193 0 1 IGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]12CCN(c1ccccc1)C(=O)C2 963146935 ORYJAXHEEQLEER-AOMKIAJQSA-N 443.525 3.412 0 1 IGAF O=C(O)[C@H](Cc1c[nH]c2ccccc12)N[C@H](c1cccnc1)c1nnnn1C1CCCCC1 1857610934 UOULBFKHQCIAFS-FCHUYYIVSA-N 445.527 3.430 0 1 IGAF COc1cc([C@@H](O)[C@H](C)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)c1OC 2356503718 QHYPOKHWZKVCEW-QKKBWIMNSA-N 434.485 3.236 0 1 IGAF COc1ccc(CCN2C[C@@H](C(=O)N(C)Cc3ccc4nsnc4c3)CCC2=O)cc1 12744220 CTRIUKCFBAUNNE-SFHVURJKSA-N 438.553 3.140 0 3 IGAF O=C(Cc1ccc(-n2c(=O)[nH]c3ccsc3c2=O)cc1)NCc1ccc(Cl)cc1 4790293 DUMDUDVHCXOGHI-UHFFFAOYSA-N 425.897 3.253 0 1 IGAF CC[C@@H]1CN(CCC(=O)N(C)Cc2n[nH]c3c2CCCC3)Cc2cc(OC)ccc2O1 11789531 UFMVWEWRMKYFDQ-GOSISDBHSA-N 426.561 3.319 0 1 IGAF Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)OCc4cc5ccccc5cc4O3)O2)c(=O)[nH]c1=O 13561186 QSRSOGPDZUJZCE-VRKJNYRMSA-N 442.364 3.186 0 1 IGAF COc1cc([C@@H]2C3=C(COC3=O)Nc3cc(OC)c(OC)c(OC)c32)cc(OC)c1OC 26939748 ZUKLQPSFXBGCBI-KRWDZBQOSA-N 443.452 3.107 0 1 IGAF CCOC(=O)C(=O)[C@@H](CC)NC(=O)[C@@H](CC(C)C)NC(=O)CC[C@@H](C)Cc1ccccc1 27097567 PWUXNAGOBAFCRC-HMXCVIKNSA-N 446.588 3.203 0 1 IGAF O=C(O)CN1C(=O)[C@H](NC(=O)c2cc3sc(Cl)c(Cl)c3[nH]2)Cc2ccccc21 28818242 VZFLYUUKLKQOKA-SNVBAGLBSA-N 438.292 3.309 0 1 IGAF COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3C2=O)cc1OC 29319040 JMBHTDWNBUZRFI-UHFFFAOYSA-N 442.556 3.284 0 1 IGAF O=C([C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1)N1CC[C@@H](O)C1 72177978 YGQOORWVQMHJON-LYHRCORUSA-N 442.519 3.233 0 1 IGAF C[C@H](C(=O)NCc1ccc(Br)cc1)c1ccc(NS(C)(=O)=O)c(F)c1 73224043 JKMIMEQWJAPXHW-NSHDSACASA-N 429.311 3.380 0 1 IGAF CO[C@@H](CN(C)CC1CCOCC1)[C@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO 95899198 IUSZJOKEOVUDOA-FGSXEWAUSA-N 439.572 3.050 0 1 IGAF O=c1c2cccc(COc3ccc(-c4cc(F)c(F)cc4F)cc3)c2[nH]n1C[C@@H](O)CO 96269815 VGSHFMIXGCSXBM-OAHLLOKOSA-N 444.409 3.346 0 1 IGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@H]2CC3C[C@H]1CC(c1nnc(N)[nH]1)(C3)C2 101065161 ABFKDXBHEQHAFL-YVGCSWRCSA-N 429.952 3.460 0 1 IGAF Cc1cc2nc(NC3CC3)c(N3CCC(S(=O)(=O)c4ccc(F)cc4)CC3)nc2cn1 144306141 DDIFBPZWYSSKKC-UHFFFAOYSA-N 441.532 3.489 0 1 IGAF CO[C@]12C=C[C@@]3(C[C@@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@@H]2O5 169716263 RLFSNZBLDVZMLA-LJFBWILCSA-N 435.564 3.308 0 1 IGAF CN(C)C(=O)Cc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587197112 JBZJLFYWPLOEPS-UHFFFAOYSA-N 426.420 3.013 0 1 IGAF COc1cc2ncnc(-n3[nH]c(-c4ccccn4)nc3=N)c2cc1OCc1ccccc1 653706325 LPDBLXWEGVSHTQ-UHFFFAOYSA-N 425.452 3.273 0 1 IGAF Cc1cccc(C(=O)N[C@H]2C[C@@H](n3cnc4c(NCc5ccc(F)cc5)ncnc43)C2)n1 1772598560 NSEKTECTEUZVNV-HDICACEKSA-N 431.475 3.414 0 1 IGAF Cn1nncc1[C@H](CC(=O)O)c1ccc(OC[C@@H]2COc3ccc(Cl)cc3O2)cc1 1857775043 OSPCTENLXSMJAS-IAGOWNOFSA-N 429.860 3.294 0 1 IGAF COCCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccc3)[C@H](O)[C@H]2[C@@H]1C 2356871827 YLMZDLCXQSMJKK-UFYHPRQPSA-N 444.616 3.284 0 1 IGAF CCCN1[C@H](C)C(C(=O)OCC)=CN(Cc2ccc(Br)cc2)S1(=O)=O 61958959 ZYGJJCRATLBPQQ-CYBMUJFWSA-N 431.352 3.057 0 3 IGAF N[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@@H]1c1ccccc1 3777274 FJHKBXPXIQCCFE-QAPCUYQASA-N 425.435 3.244 0 1 IGAF Cc1cccc(NC(=O)C2CCC(CNS(=O)(=O)c3csc(C(N)=O)c3)CC2)c1C 8619149 UNLUZWRIHJRANA-UHFFFAOYSA-N 449.598 3.187 0 1 IGAF CCOC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)c(F)cc3F)c2c1C(C)C 13645266 BXZXWTOOTLUIAH-UHFFFAOYSA-N 433.415 3.342 0 1 IGAF CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1)C(=O)c1nccs1 27624907 BKFQXBYRMCTGGJ-ICSRJNTNSA-N 427.570 3.481 0 1 IGAF CC(C)[C@@H](NC(=O)c1ccc(Cl)s1)C(=O)Nc1ccc(N2CCOCC2=O)cc1 28455293 MPCXIDUKWGATTR-GOSISDBHSA-N 435.933 3.158 0 1 IGAF O=C(NC1CCN(Cc2ccc3ccc(=O)[nH]c3c2)CC1)c1cc(=O)c2ccc(F)cc2o1 34642894 ZLKBWMPLNFUMFD-UHFFFAOYSA-N 447.466 3.168 0 1 IGAF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCC3)cc1CO 40565462 ANISVNNDDWLPPC-UHFFFAOYSA-N 437.443 3.187 0 1 IGAF CS(=O)(=O)c1ccc(-c2cccc3nc(Nc4ccc(N5CCOCC5)cc4)nn23)cc1 68247681 RYAAAOAVTHIWNS-UHFFFAOYSA-N 449.536 3.380 0 1 IGAF CC[C@H](NC(=O)[C@H](CC(C)(C)C)OC(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1 82065559 PIAODZKWCOVJLG-YJBOKZPZSA-N 445.516 3.179 0 1 IGAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccco2)C1 82142326 ULGWTLORZDCUFJ-FUHWJXTLSA-N 425.533 3.056 0 1 IGAF C[C@H](Nc1ncnc2cc3oc(=O)n(CCCN4CCOCC4)c3cc12)c1ccccc1 84726108 MYTTUHJKUWGZNX-KRWDZBQOSA-N 433.512 3.433 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1cccnc1 95894773 MQVNAEKMMMLYGK-BHDDXSALSA-N 432.455 3.242 0 1 IGAF COc1nc(OC[C@H]2C[C@@H]2c2ccc3ncccc3n2)nc(NCc2cnn(C)c2)c1C 114806108 DTVOGHZNBWTEJY-SJORKVTESA-N 431.500 3.265 0 1 IGAF O=C(NC1CCOCC1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12 115097031 ZXDAOGSITPXTJV-LJQANCHMSA-N 427.455 3.258 0 1 IGAF CNC(=O)c1cc([C@@H](C)Nc2cc(F)cc(F)c2)c2oc(N3CCOCC3)cc(=O)c2c1 116734759 JPRUSXLWICAZQV-CYBMUJFWSA-N 443.450 3.441 0 1 IGAF Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3nc(NOCC(F)(F)F)ncc3C)c[nH]2)c1 169693454 COZNULPFRYSXRP-QGZVFWFLSA-N 449.433 3.458 0 1 IGAF COc1cc2oc(-c3ccc(OC(=O)N4CCOCC4)cc3)cc(=O)c2c(OC)c1OC 205735114 JCUOWOCVOUTMOE-UHFFFAOYSA-N 441.436 3.317 0 1 IGAF NC1=N[C@](CF)(c2cc(NC(=O)c3ccc(Cl)cn3)cnc2F)C[C@@H](C(F)(F)F)O1 218668340 VHFDRILWGLQYGO-BLLLJJGKSA-N 449.767 3.352 0 1 IGAF Cc1nn(-c2ccnn2C)c2c1[C@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220179595 LCXHXIMNUYTCEI-FQEVSTJZSA-N 448.914 3.325 0 1 IGAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC(CO)C2)c(-c2ccn[nH]2)c1 224439390 RJISQTJIWMXKCL-UHFFFAOYSA-N 433.390 3.051 0 1 IGAF CCN1CC(C(=O)NCCCc2ccc(Cl)c(Cl)c2)=C(NCCOC(C)C)C1=O 224802447 ZQKONJDKUPQIRR-UHFFFAOYSA-N 442.387 3.173 0 1 IGAF O=C(c1c(F)cccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](COc1cnc3ccccc3n1)C2 226047625 ARNAHJXACBMLJK-GUXCAODWSA-N 444.470 3.422 0 1 IGAF CC[C@H](CO)N1C(=O)N[C@]2(C[C@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 254110946 ADMQPLKCCKQMAJ-WYEJZRMESA-N 431.492 3.363 0 1 IGAF CC(C)(C)c1ocnc1C=c1nc(O)c(=Cc2cccc(C(=O)c3ccccc3)c2)nc1O 299811644 MIPMUZJVEZFSLM-UHFFFAOYSA-N 441.487 3.062 0 1 IGAF COc1ccccc1N1CCN(C[C@@H]2C(=O)O[C@@H]3CC4=CCC[C@H](C)[C@]4(C)[C@@H](O)[C@@H]32)CC1 504176479 ZXBPYNJHTIRHRM-UPJXOCHPSA-N 440.584 3.102 0 1 IGAF biogenic CC(C)(C)OC(=O)Nc1nnc(Cc2nc3ccc(Br)c(O)c3[nH]2)s1 587024046 LQIXYBBTWZAOOW-UHFFFAOYSA-N 426.296 3.820 0 1 IGAF CC(C)c1c(S(C)(=O)=O)nn2c(Nc3cc(Cl)cc(Cl)c3)c(C(N)=O)cnc12 653793694 WGGRXSZLNZHDJO-UHFFFAOYSA-N 442.328 3.406 0 1 IGAF CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(=O)oc2cc(C)ccc12 1857630477 HPOPBACDTIJMHK-IBGZPJMESA-N 445.427 3.466 0 1 IGAF CCOC(=O)c1cccc(NC(=O)Cn2c(CC(=O)N3CCCC3)nc3ccccc32)c1 6530545 FPBDXXQILJRRFU-UHFFFAOYSA-N 434.496 3.017 0 3 IGAF O=C(COc1ccccc1)N[C@@H]1c2ccccc2C2(CCN(Cc3cccnc3)CC2)[C@H]1O 11785924 IBXXTFKPWFEZTM-FTJBHMTQSA-N 443.547 3.226 0 1 IGAF CC(=O)OC[C@]1(C)C[C@H](O)C[C@]2(C)C(CCC3=CC(=O)OC3)=C(C)C[C@H](OC(C)=O)[C@@H]21 14812719 ISERIAVYRUVEJB-IUBQQYFBSA-N 434.529 3.248 0 1 IGAF biogenic NCC(=O)NCc1nnc(C2CC2)n1-c1ccc(Cl)cc1C(=O)c1ccccc1Cl 29250635 NTJYWGWJTUZEHP-UHFFFAOYSA-N 444.322 3.257 0 1 IGAF CCCCCCNC(=O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 29470450 WNLMZJVRDURYKZ-NRFANRHFSA-N 444.572 3.170 0 1 IGAF CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@@H](c2ccc(F)cc2)N=C(c2cnccn2)N1 35919917 IWILYSVOZLQCHZ-OAQYLSRUSA-N 427.443 3.496 0 1 IGAF NS(=O)(=O)c1ccc(Cc2nc(-c3ccc4nccnc4c3)c(-c3ccccn3)[nH]2)cc1 40404875 WFGRPLSXXZOQQY-UHFFFAOYSA-N 442.504 3.320 0 1 IGAF CCCCOc1ccc2cc(S(=O)(=O)N[C@@H]3CC[C@@H](C(=O)O)C[C@@H]3C(=O)O)ccc2c1 72112277 ZAJDNFYQKMWEGW-LSTHTHJFSA-N 449.525 3.251 0 1 IGAF CN1CCC(NC(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)Cc2ccc(Cl)cc2)CC1 72176293 ZUPXIFLEHOGHDF-OAQYLSRUSA-N 448.394 3.474 0 1 IGAF CN1CCN(Cc2cccc3c2c(Br)cn3S(=O)(=O)c2ccccc2)CC1 95562163 MBFLODNVCSXSKE-UHFFFAOYSA-N 448.386 3.388 0 1 IGAF CO[C@@H](CN(C)CC1CCOCC1)[C@@H](C)CN(C(=O)Nc1ccc(F)cc1)[C@@H](C)CO 95899199 IUSZJOKEOVUDOA-SPEDKVCISA-N 439.572 3.050 0 1 IGAF CN1O[C@@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCc2cnncc2CC1 141852413 NRTWYDAMPPWJPV-SANMLTNESA-N 436.519 3.481 0 1 IGAF COC(=O)[C@@H]1[C@@H]2CC[C@H](C[C@@]13Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1)N2C 587337829 MUKZLPHPDSEOOF-KBVUCTANSA-N 425.456 3.285 0 1 IGAF COCCOCCOCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444168 YLFRDCWCBZONRD-YKSBVNFPSA-N 428.481 3.242 0 1 IGAF CN(C)S(=O)(=O)c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587609052 UMFGWMLVDMEQEN-KNQAVFIVSA-N 425.462 3.345 0 1 IGAF CNS(=O)(=O)c1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587839369 GTMGPVAOCOTWDK-BBATYDOGSA-N 427.339 3.294 0 1 IGAF CN1CCC(CNc2c(Cl)cnc3nc(-c4ccc(S(C)(=O)=O)cc4)[nH]c23)CC1 653783676 JNBQEQNFVNJYHB-UHFFFAOYSA-N 433.965 3.436 0 1 IGAF CC(C)c1nn(C)c2c1[C@]([C@H]1CCN(C(=O)OC(C)(C)C)CC1=O)(C(F)(F)F)NCC2 962914138 CLVYTIGZQHLTIQ-RNODOKPDSA-N 444.498 3.273 0 1 IGAF COc1ccc(I)cc1[C@@H]1NC[C@H]2CC(=O)N(C)c3cccc1c32 963036712 UWMVYLSLVCBLFQ-NSPYISDASA-N 434.277 3.443 0 1 IGAF Cc1cc2c(cc1O)[C@](c1cccc(CN3CCOCC3)c1)(C1CCC1)N[C@H](C(=O)O)C2 963487774 DGJWLALLOFCIFB-JYFHCDHNSA-N 436.552 3.175 0 1 IGAF COc1ccc(NC(=O)C2(C(=O)Nc3ccc(Oc4ccnc(N)n4)c(F)c3)CC2)cc1 1772604322 RTWXYIWWBWNBOA-UHFFFAOYSA-N 437.431 3.356 0 1 IGAF CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@@]2(O)C1 1857605251 DDNFNZMFXRMHIQ-YWGUMYLDSA-N 432.557 3.290 0 1 IGAF COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@H]2NC(=O)Cc1ccccc1 2356816175 CYMQZBQXMYYPFX-PJTSNVSCSA-N 444.616 3.224 0 1 IGAF COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccc(C)o2)[C@H]1c1cccc(Br)c1 2996366 DYGAMMHZBMNKAE-DLBZAZTESA-N 434.286 3.339 0 1 IGAF COc1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N2CCOCC2)c(OC)c1 4310394 JSCQGTQXTYWTIQ-TZIWHRDSSA-N 430.888 3.308 0 1 IGAF Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](C)Nc2ncnc3c(C)csc23)CC1 29126987 QHZZKPZSTGOWRD-KRWDZBQOSA-N 445.614 3.115 0 1 IGAF COc1ccc(-c2cc(-c3c(OC)cc(OC)c([C@H]4CCN(C)[C@H]4CO)c3O)n[nH]2)cc1 64321219 GENLJWUZXVGFPA-LPHOPBHVSA-N 439.512 3.255 0 1 IGAF COc1ccc(CNc2c3n(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c2=O)CCN3)cc1 82204534 KJDGGGXNTMRVCY-UHFFFAOYSA-N 447.322 3.411 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CN(Cc2cccc(F)c2)C1 95666072 CTYGJNYXVZWFLR-JOCHJYFZSA-N 449.526 3.355 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 95893771 ABQUSIFMIMPGPZ-FDFHNCONSA-N 432.455 3.242 0 1 IGAF C[C@@]1(C(=O)Cc2ncccn2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1 96177863 BEHZXFMLZIDXKW-QHCPKHFHSA-N 443.515 3.034 0 1 IGAF COc1ccc2cc([C@H](C)C(=O)Nc3ccc(S(=O)(=O)NC(C)=O)cc3)ccc2c1 103190097 BNYWMNLKHDBFBY-AWEZNQCLSA-N 426.494 3.415 0 1 IGAF O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCN(c2ncccn2)CC1 103199135 AJVJYDCSMXNRGG-BQYQJAHWSA-N 437.507 3.086 0 1 IGAF COc1cc2cc(-c3cc4cc(OC)c(O)c(OC)c4oc3=O)c(=O)oc2c(OC)c1O 238777251 WOOVZFPAOYYLSV-UHFFFAOYSA-N 442.376 3.012 0 1 IGAF O[C@@H]1CCN(Cc2ccccc2Br)C[C@H]1N1CCN(c2ccccc2)CC1 253639701 NXSBLNXROUIMTM-FGZHOGPDSA-N 430.390 3.207 0 1 IGAF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1 586941291 RVTXAMNQYKGWGL-SREVYHEPSA-N 431.827 3.375 0 1 IGAF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587194913 ZSONLQBZKGDSNR-HNNXBMFYSA-N 441.536 3.140 0 1 IGAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc(Br)c1OCC(N)=O 587378560 VPKGAHAAPXMORC-MRXNPFEDSA-N 449.301 3.309 0 1 IGAF 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COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@H](NC(=O)C(F)(F)F)C[C@H]2O 84635141 HUYVGSBPTQXJBS-ZIAGYGMSSA-N 427.375 3.242 0 1 IGAF CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CC1CCCCC1 95879421 ITUDCXKGGSSJMQ-AZOUXBGGSA-N 439.600 3.048 0 1 IGAF O=C(Nc1ccccc1N1CCNCC1)c1csc(N2CCc3sccc3C2)n1 96269626 SVOAPWIJSMZHDG-UHFFFAOYSA-N 425.583 3.429 0 1 IGAF CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1F 142381426 DHBGCMMGTSEVAY-LADGPHEKSA-N 446.588 3.394 0 1 IGAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1)C1CCOCC1 261098306 FUJBVUPRADYUIB-XUTJKUGGSA-N 443.588 3.029 0 1 IGAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586947136 UPQNDXPOTJEHEL-GFCCVEGCSA-N 437.424 3.009 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(S(=O)(=O)N(C)C)c2)N1 587838986 FLMMVVPIYDDOES-ADLMAVQZSA-N 427.339 3.462 0 1 IGAF Cc1c([C@@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)c(N2CCOCC2)nc2ccccc12 962925767 QUYUQKOZHDZZPO-MHZLTWQESA-N 444.579 3.491 0 1 IGAF CCOC(=O)c1nocc1[C@]1(c2ccccn2)NCCc2cnc3c(OC)cccc3c21 963038035 RKCMYTOCZATYSL-XMMPIXPASA-N 430.464 3.241 0 1 IGAF COc1ccc2c(c1OC)[C@H](c1c(Cl)cnn1C)N(C(=O)c1ccccc1N)CC2 963134047 BASNNABQUNGMBJ-HXUWFJFHSA-N 426.904 3.461 0 1 IGAF NC(=O)c1c(-c2ccc(OC3CCOCC3)cc2)nn2c1NCC[C@H]2c1ccccc1N 1772635483 YOLWNJRNOPGCBF-FQEVSTJZSA-N 433.512 3.194 0 1 IGAF O=C(NCc1ccc(Br)cc1)[C@H]1CNC[C@@H]1c1ccc(C(F)(F)F)nc1 1857568642 URAODCNKCADNNQ-CABCVRRESA-N 428.252 3.482 0 1 IGAF O=C(c1[nH]c(Cc2ccc(O)cc2)c2oc3ccccc3c(=O)c12)N1CCN(C2CC2)CC1 1857743837 ROLBPAVPBRBKRN-UHFFFAOYSA-N 443.503 3.491 0 1 IGAF Cc1sc2ncnc(SCC(=O)N3CCn4c(nnc4C(F)(F)F)C3)c2c1Cl 1911574877 GHDGSRAQIPEOQA-UHFFFAOYSA-N 448.883 3.398 0 1 IGAF Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1[nH]cnc1C(N)=O 61949454 WRVDBBPKKUMBPC-UHFFFAOYSA-N 431.374 3.340 0 3 IGAF CCOC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NCC4CCCCC4)CO[C@H]23)c1 4236485 BRYWWYMABCXDTI-DOIPELPJSA-N 432.517 3.117 0 1 IGAF biogenic O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@@H]1c1c(O)cc(O)c2c(=O)ccoc12 13480337 WNBLZPGLZHQKPS-FYYLOGMGSA-N 448.383 3.421 0 1 IGAF endogenous,in-man Cc1ccc(CCN(CCC(=O)Nc2cnc3ccccc3c2)C(=O)[C@H](N)CCCN)cc1 13587006 RSGISRLYKJQCON-HSZRJFAPSA-N 447.583 3.009 0 1 IGAF C[C@]1(c2ccccc2)NC(=O)N(CCCN2CCN(c3cccc(Cl)c3)CC2)C1=O 49116148 KYCKSTNLWKOHQH-HSZRJFAPSA-N 426.948 3.319 0 1 IGAF CC(C)OC(=O)N1CCC[C@H](Oc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)CC1 59068238 DRWSBUQCWOFAFF-SFHVURJKSA-N 448.541 3.019 0 1 IGAF COc1ccc(CNc2nc(N3CCCC[C@@H]3CCO)nc3c2NCN3C(C)C)cc1 70719200 RPMQSXHHTJYXAU-GOSISDBHSA-N 426.565 3.436 0 1 IGAF CN1CCc2nc(C(=O)N(C)CCN(C)C(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 71329688 VYTMQGPGIQIBLL-UHFFFAOYSA-N 445.976 3.110 0 1 IGAF COC(=O)[C@@]1(CCCCNC(=O)OC(C)(C)C)[C@@H](C)C(=O)N1Cc1ccc(OC)cc1 72119663 AFSFTBSHPSWGDQ-QMHKHESXSA-N 434.533 3.280 0 1 IGAF COc1ccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCC5)C[C@H]34)cc2)cc1 95797559 XZTHWMVTNWXISA-OYRHQHFDSA-N 434.536 3.050 0 1 IGAF CNS(=O)(=O)[C@]12CC3C[C@@H](C1)[C@@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H](C3)C2 101102724 LAWOOLSGJUVOSC-OZZCHCHLSA-N 440.993 3.110 0 1 IGAF C[C@H](Oc1cc(C(N)=O)nc(-c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1)C(N)=O 142235919 KEDUVOFLBUTJTP-NSHDSACASA-N 446.385 3.306 0 1 IGAF CCN(CC)CCOc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(C)no2)n1 165946231 QTLPNADBBUACHT-UHFFFAOYSA-N 426.525 3.450 0 1 IGAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1)[C@H]1CC1(F)F 261096603 FNCHOLREEKOGDL-KZNAEPCWSA-N 435.515 3.258 0 1 IGAF CC1=C[C@@H]2/C=C/C[C@H](C)C(=O)[C@](C)(O)/C=C/[C@@H](O)[C@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@H]1C 299869038 TUOTYDFTSBXZFM-SGLGPZDGSA-N 449.591 3.376 0 1 IGAF O=C(O)CN(Cc1ccc(C(=O)O)c(C(=O)O)c1)Cc1ccccc1OC(F)(F)F 473087450 KBDDOHUYYDUULB-UHFFFAOYSA-N 427.331 3.068 0 1 IGAF COC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2n1 586960684 NVFJHXJCDCMHKU-JVPBZIDWSA-N 440.525 3.439 0 1 IGAF O=S(=O)(c1ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c2c1)N1CCOCC1 587108771 VDTTURORBFWHSK-UHFFFAOYSA-N 425.432 3.193 0 1 IGAF CCNC(=O)CCc1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587230843 NIVXNCCKVNYLCY-UHFFFAOYSA-N 440.447 3.451 0 1 IGAF CCC[C@]1(CC(=O)N[C@H]2CCOC2=O)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338111 QLXHOEBSNAARMH-NSXLHWASSA-N 441.455 3.251 0 1 IGAF C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(-n3ncc4ccc(Cl)cc4c3=O)nc2)C1 587655022 RQSOOPOVLHPJIM-KBPBESRZSA-N 432.933 3.101 0 1 IGAF CCOc1ccc(-c2nn([C@@]3(C)CCS(=O)(=O)C3)c(=O)c3ccccc23)cc1OCC 587671074 OSQODDBHUQOCHT-QHCPKHFHSA-N 442.537 3.395 0 1 IGAF C=CN1CC[C@H]([C@@]2(c3cnccn3)N[C@@H](C)Cc3cc(Br)c(F)cc32)C1=O 587768174 LCGOKPONVZHOLZ-TVSHIAKJSA-N 431.309 3.148 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cn2c(=O)oc(=O)c3ccccc32)N1 587770381 QBAOYVKLHOVIQU-PRWKNARSSA-N 433.277 3.306 0 1 IGAF CCOc1cc([C@@H]2NCCc3c(C(=O)O)cccc32)ccc1OCC(=O)N1CCCCC1 963127332 XPFJUWBCDJDWRB-DEOSSOPVSA-N 438.524 3.410 0 1 IGAF CC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)cs1 1259345167 UAQJHSQEBOFMBM-UHFFFAOYSA-N 431.495 3.341 0 1 IGAF CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ccc3cc(Cl)cnc32)cc1NC1CC1 1772590631 QARKYDRRULREBY-QGZVFWFLSA-N 431.899 3.487 0 1 IGAF COc1ccc(NS(=O)(=O)c2ccc3c(c2)c2ccc(C=O)cc2n3C)c(OC)n1 1772639506 WRAGPAMSWOEAPC-UHFFFAOYSA-N 425.466 3.357 0 1 IGAF O=C(NCc1ncccc1F)c1csc([C@@H]2[C@H]3CN(Cc4nc5ccccc5[nH]4)C[C@H]32)n1 1857566653 GWRJOZCRFLQKJW-JORQVXCQSA-N 448.527 3.329 0 1 IGAF O=C(NC[C@@H]1OC[C@@H](N(Cc2cccs2)Cc2cccs2)[C@H]1O)c1ccccc1 2356302747 XHEICOJWJNPMHY-QHAWAJNXSA-N 428.579 3.370 0 1 IGAF CC(=CCC[C@H](O)CCCC1=C[C@H](O)OC1=O)CCC[C@H](C)C[C@]1(O)C=C(C)C(=O)O1 2356807853 YFNINSGGPRTKQA-CTLLREPQSA-N 436.545 3.434 0 1 IGAF COc1ccc(C=Cc2ccc3c(c2)C(=O)N2CC[C@H](NC(=O)NC(C)C)[C@@H]2C(=O)N3)cc1 2356848344 PDTVQJGPXDCLBK-FCHUYYIVSA-N 448.523 3.108 0 1 IGAF C[C@H](CCN1CCC(CN2C(=O)C(=O)NC[C@@H]2Cc2ccccc2)CC1)c1ccccc1 61936173 JBDOCCQTOLNFIH-BWKNWUBXSA-N 433.596 3.462 0 3 IGAF OC[C@@H]1O[C@@H](n2cnc3c(Cl)nc(Nc4ccc(Cl)c(Cl)c4)nc32)C[C@@H]1O 5822702 HEEANCXZTNZIAU-SDDRHHMPSA-N 430.679 3.171 0 1 IGAF O=C1/C(=C/c2ccccc2F)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 13652309 WVHLCFNQDOEASH-PMDSDZCYSA-N 447.506 3.358 0 1 IGAF CO[C@]12C=C[C@@]3(C[C@@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@]3(CCN1CC1CC1)[C@@H]2O5 29210716 RLFSNZBLDVZMLA-ZYAHOUARSA-N 435.564 3.308 0 1 IGAF CO[C@@H]1O[C@H](COc2ccccc2)[C@@H](O)[C@H](O)[C@H]1Oc1ccc(OC2CCCCC2)cc1 49115569 QSGFSJSUJQKILI-NHTNDUFYSA-N 444.524 3.318 0 1 IGAF COc1cc(OC)c([C@@H]2CCN(C)[C@H]2CO)c(O)c1-c1cc(-c2ccccc2F)[nH]n1 58563726 GJCPFXOLPBUQTP-KDOFPFPSSA-N 427.476 3.386 0 1 IGAF Nc1nc(=O)n(COCc2ccccc2)c(Cc2ccccc2)c1I 84727935 AAWQTPVMDYXVCP-UHFFFAOYSA-N 447.276 3.195 0 1 IGAF CCCN(C)C[C@H]1Oc2cc(C3=CCCC3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C 95701442 LQVSPGWVOASTFN-KGVIQGDOSA-N 436.618 3.364 0 1 IGAF N=C(N)c1cccc(COc2c(Br)cc(C(=N)N)cc2Br)c1 96910531 XVSUCQCRGSZTRR-UHFFFAOYSA-N 426.112 3.359 0 1 IGAF O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccc(F)c2)[C@H]1C(=O)c1ccc2c(c1)OCO2 109735600 QSXGDGQIRWGKRF-LEWJYISDSA-N 432.407 3.101 0 1 IGAF O=C(Nc1ccc([C@H]2CNCCO2)cc1F)c1cnn(-c2ccc3c(c2)OC(F)(F)O3)c1 149948316 QWHOYSQRVJSGDS-LJQANCHMSA-N 446.385 3.246 0 1 IGAF CC(C)C[C@@H](CO)NS(=O)(=O)c1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 212172658 GFGRRIXWKHYLRY-INIZCTEOSA-N 444.532 3.217 0 1 IGAF COC(=O)[C@@H]1[C@@H](OC(C)=O)CC[C@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@H]12 238735573 UEFILKPKYUBUOT-VLNSVQMVSA-N 426.513 3.227 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccsc2)[C@@H]1C(=O)N[C@H]1CCCCNC1=O 299883198 QYBBOYVJOOSRBJ-ILZDJORESA-N 427.526 3.024 0 1 IGAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(F)cc5)CC4)[C@@H]3[C@H](O)[C@@]21C 503967840 CCINPNZGQSKDQW-WIJXCSNCSA-N 428.548 3.233 0 1 IGAF biogenic COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cccc(C(N)=O)c3[nH]1)C(=O)OC2 586916183 WTGXBSVPIFOFKR-GHXNOFRVSA-N 435.480 3.476 0 1 IGAF Nc1nc(O)c2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)[nH]c2n1 586983405 CFNVNUPPICMPFI-UHFFFAOYSA-N 425.246 3.323 0 1 IGAF O=C(CCc1nc2c(Br)ccnc2[nH]1)Nc1nnc(-c2ccncc2)s1 587023515 FGZUFFFIWDWRPE-UHFFFAOYSA-N 430.291 3.205 0 1 IGAF CNS(=O)(=O)c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587839482 HHWQVUGKYJBRBM-ADLMAVQZSA-N 427.339 3.294 0 1 IGAF C[C@@]12OC3(CCCCC3)OC[C@@H]1OC=C[C@]21N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963236958 SYFXSHNOBSLEJH-JKBGKOONSA-N 436.508 3.407 0 1 IGAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]2(C)COC(C)(C)O[C@@H]2C[C@H](O)[C@]13C 2356326689 ZMLHWLZKCQDODU-ZSUPFIIFSA-N 436.589 3.426 0 1 IGAF COc1ccc2nc(C[C@H]3CN(C(=O)COc4ccccc4)CC[C@@H]3CC(=O)O)[nH]c2c1 2356735167 ACAMGJRYBQJFGL-SJORKVTESA-N 437.496 3.132 0 1 IGAF C/C=C(\C)C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@@H]1C(N)=O 13478571 DSFFWWOIOLQVSQ-RVZDAQLQSA-N 440.544 3.121 0 3 IGAF CCCCNC(=O)c1ccc2c(c1)[C@@H](NC[C@H]1CCCO1)CC1(CCN(C(C)=O)CC1)O2 2491762 WGRYKCZEQLLLBF-IRLDBZIGSA-N 443.588 3.190 0 1 IGAF O=S(=O)(NCCCCN1CC[C@@H]2[C@H](C1)c1cccc3c1N2CC3)c1ccc(F)cc1 13443410 RDGKSJPQKMCGPY-FGZHOGPDSA-N 429.561 3.118 0 1 IGAF C[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 13887510 DQKAAHYALFGPPG-CWTRNNRKSA-N 440.372 3.281 0 1 IGAF Cc1cc(-n2ccc(N3CCNC3=O)n2)c2c(n1)N(c1ccc(-n3cccn3)cc1C)CC2 36410462 FINIAPHFAQDCHV-UHFFFAOYSA-N 440.511 3.294 0 1 IGAF COc1cccc(Cn2cc(S(=O)(=O)CC(=O)Nc3cc(C)on3)c3ccccc32)c1 70461158 HFFFDZQTDANXQV-UHFFFAOYSA-N 439.493 3.407 0 1 IGAF CCOC(=O)[C@]1(C(=O)NCc2ccc(F)cc2)C[C@H]1c1cc(OC)c(OC)c(OC)c1 95595305 VHKZPGOVNGOHPJ-GAJHUEQPSA-N 431.460 3.205 0 1 IGAF COc1cc(-c2cc(-c3cc(OC)c(OC)c(OC)c3)nc(N)n2)cc(OC)c1OC 169351918 TZQLXLCIFOMNNS-UHFFFAOYSA-N 427.457 3.444 0 1 IGAF COC(=O)[C@H]1C[C@]2(C[C@H]1C(=O)OCc1ccccc1)Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587443262 NBSNNBWKGNXUQN-UFXZXOMWSA-N 436.460 3.124 0 1 IGAF CCCc1c(O)ccc2c1OC1(CC2=O)CN(S(=O)(=O)c2ccccc2OCC)C1 587482873 FERJWIXDKNJPHK-UHFFFAOYSA-N 431.510 3.152 0 1 IGAF CCOC(=O)C[C@H](C(=O)OCC)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587593431 DEASCHMLMZJEDU-BIFSNJIPSA-N 428.437 3.245 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)N1 587760458 KCCDQHIMYMOYEA-FTNGCUSPSA-N 443.313 3.412 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587774718 WZKANRVIMZDCRX-MPBGBICISA-N 435.293 3.283 0 1 IGAF Cc1c(C(=O)N2C[C@H](C)C[C@@H](C)C2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 618007528 TUAHKSACRLLIOE-BZUAXINKSA-N 444.601 3.286 0 1 IGAF CC(C)CN(Cc1nc2cc(Cl)ccc2s1)[C@H]1C(=O)NC(=O)N(CC(C)C)[C@H]1N 618015608 NIIZZZFOXJCNHW-QZTJIDSGSA-N 437.997 3.269 0 1 IGAF O=C1c2cnccc2[C@]2(N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c2c(F)ccc(F)c21 963223376 ALIDILHQLJBQFB-CJFMBICVSA-N 443.409 3.343 0 1 IGAF COc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C(F)F)NC(=N)CCC3(F)F)c2)cn1 1772610605 ZQKVKDGKIDOTQN-SFHVURJKSA-N 429.349 3.333 0 1 IGAF COc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(CCC(=O)O)c3ccccc23)cc1 1911586081 PYWHLXAIQCJQKR-UHFFFAOYSA-N 443.477 3.146 0 1 IGAF COCCNC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3cccc(F)c3)[C@H](C)[C@H]2[C@H]1O 2356487586 FRPBNZVJVKDCFQ-KXELFGNXSA-N 448.579 3.146 0 1 IGAF CC(=O)O[C@H]1CCC(C)(C)[C@@]2(O)C[C@@H](OC(C)=O)[C@@H]3[C@@H](Cc4occc4[C@@]3(C)O)[C@@]12C 2356678291 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O=C(O)c1nc2ccccc2n([C@@H]2C[C@@H]3CC[C@H](C2)N3C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1=O 169685590 YWAIULJIEIJWMP-MRGIZOJZSA-N 449.551 3.346 0 1 IGAF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(Br)c(F)c(F)c3[nH]2)cc1 586932298 ZZDUBKXXYWZRPQ-UHFFFAOYSA-N 446.273 3.433 0 1 IGAF COC(=O)c1cc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 586962537 XPDFSAWKJGBTIA-XMCHAPAWSA-N 440.525 3.439 0 1 IGAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccc(S(N)(=O)=O)cc3[nH]1)N2 587031448 NSSZZQUPORKUIE-IXIHQHOXSA-N 449.583 3.337 0 1 IGAF CCOC(=O)CCOCCCOCCc1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587570393 WOOOFITZSCDLJH-UHFFFAOYSA-N 426.517 3.313 0 1 IGAF CNC(=O)COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587743539 OUZHVAQDAXSSCN-GIPWTMENSA-N 437.309 3.345 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC23CN(C(=O)OC(C)(C)C)C3)N1 587771960 HDYONPYEXHMEPN-NSPYISDASA-N 427.314 3.337 0 1 IGAF Cc1ccc(C)c(OCCN[C@@H](C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c1C 653833212 DUOWUNJYYPBDOW-IBGZPJMESA-N 439.600 3.055 0 1 IGAF Nc1c([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)ccnc1Br 962709766 RTUJYFZCIQHZPP-DGCLKSJQSA-N 434.187 3.273 0 1 IGAF CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)n([C@H]2CCOC2)c(=O)n4C)cn1 1772581772 NJZBNLVCEXZHPD-IBGZPJMESA-N 447.539 3.242 0 1 IGAF COc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[C@H](NC[C@@H]1CCCO1)C3 1772624906 DMYGPTJBGBLJHL-IRXDYDNUSA-N 425.554 3.141 0 1 IGAF O=c1c(NCc2ccc(-c3ccccc3)cn2)c(-c2ccc(N3CCOCC3)cc2)c1=O 1772630578 FQXOARZIYXFIIM-UHFFFAOYSA-N 425.488 3.460 0 1 IGAF CCNc1n[nH]c2cc(NC(=O)N[C@@H](C(=O)N(CC)CC)c3ccc(F)cc3)ncc12 1772649607 GWOAAKVSEQUBSL-GOSISDBHSA-N 427.484 3.260 0 1 IGAF Oc1nc(=Nc2ccc(Cl)c(Cl)c2)[nH]c2ncn(CCCCN3CCOCC3)c12 1857539012 AHZPCTJNJSFVHS-UHFFFAOYSA-N 437.331 3.117 0 1 IGAF CSc1ccc(-c2ccc(OCCCN(C)C)nc2)cc1NC(=O)c1coc(=N)[nH]1 1857561732 VIPJOLFTDKKAIY-UHFFFAOYSA-N 427.530 3.454 0 1 IGAF Cc1cc(-c2ccnn2C)cc(S(=O)(=O)NC(=O)COc2ccc3ccccc3c2)c1 1857601043 FXQKXQLJXAKGRW-UHFFFAOYSA-N 435.505 3.433 0 1 IGAF CC(C)c1nn(-c2ccc(C(N)=O)cc2)c2nccc(-n3cnc(-c4cnn(C)c4)c3)c12 1857605641 UOVPECLJUTZHOR-UHFFFAOYSA-N 426.484 3.229 0 1 IGAF Cc1c(-c2cccc(S(=O)(=O)N(C)C)c2)c2cc(C(=O)O)ccc2n1C/C=C/CN 1857617252 LBKZCNHMFYAQJY-SNAWJCMRSA-N 427.526 3.080 0 1 IGAF C[C@]1(O)CCN(Cc2cncnc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 2356288655 IOIDLRRUXKXDLU-ONTIZHBOSA-N 426.517 3.174 0 1 IGAF COc1cc(OC)c(OC)cc1C[C@@H]1CO[C@@H](c2cc(OC)c(OC)c(OC)c2)[C@H]1CO 2356562136 OKRRXOVJIJGNAZ-DGGJZMOXSA-N 448.512 3.277 0 1 IGAF C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)[C@H](O)C[C@@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@H]1C3 2356720368 YMGGKEHLQJSJSU-PMBJZKFJSA-N 430.541 3.371 0 1 IGAF CCCCOC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 13833702 YBCYKWLFCIPEMH-OALUTQOASA-N 434.533 3.135 0 1 IGAF CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)OCCN(C)C)C2)cs1 82069685 XEILVWDISXBFLB-MRXNPFEDSA-N 431.558 3.166 0 1 IGAF O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)[C@H](Cc1ccccc1)NCCc1ccccn1 95557557 DWRDAUZMBBZNJN-QHCPKHFHSA-N 439.519 3.214 0 1 IGAF CC(C)CCNC(=O)[C@@H]1CNC[C@H](CN2CC(=O)N(c3ccccc3Cl)CC2(C)C)C1 95563276 XGYKQWJDBJCEAW-MOPGFXCFSA-N 449.039 3.155 0 1 IGAF in-vitro CC1=CC(NC(=O)CCNC(=O)Nc2nc(C)c(-c3ccc(-n4cccn4)cc3)s2)=NC1 95564444 GDCLFZCJOSSQDX-UHFFFAOYSA-N 449.540 3.290 0 1 IGAF Cc1nnc([C@H](NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)C2(C)COC2)o1 146212472 CQZOUDOOSDLGKR-HNNXBMFYSA-N 426.395 3.099 0 1 IGAF CC1(Cn2nc(-c3cnc(N)c(C(F)(F)F)c3)cc2[C@@H]2[C@H]3CN(C4COC4)C[C@H]32)CC1 148070660 PZNAGZYUVSTZKN-QWHZDKJVSA-N 433.478 3.390 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3c(C)ccc(C)c3[nH]2)C(C)C)cc1 586932857 JYLZUCVTMZKILP-LJQANCHMSA-N 428.558 3.491 0 1 IGAF CN(CCc1nc2c(O)nc(O)nc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587194577 VKDDHSRYZMEJHM-UHFFFAOYSA-N 431.452 3.188 0 1 IGAF CS(=O)(=O)C[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568151 LFUMXVXOPYMYDA-SIKLNZKXSA-N 428.437 3.433 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C(O)O)N1 587676695 FLHLZODNSZODFP-VVVCHXIZSA-N 445.126 3.439 0 1 IGAF COc1ccc([C@]2(COCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587794621 OYBGPUQHURWHEU-YUNKPMOVSA-N 438.293 3.476 0 1 IGAF Nc1ncc(-c2cc([C@@H]3[C@H]4C[C@H](N5CCOCC5)C[C@H]43)nc(C3CC3)n2)cc1OC(F)F 653775780 HEOCBNJLAWSCAR-CBXRMKESSA-N 443.498 3.424 0 1 IGAF CN(C)C(=O)c1ccc2c(c1)C1(CC(C(=O)O)(c3cccc(Br)c3)C1)NCC2 962921670 CSICUMCCEMUTSN-UHFFFAOYSA-N 443.341 3.308 0 1 IGAF COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)cc(C(=O)O)c1O 1857576867 HLGWNAJQDWZVDI-UHFFFAOYSA-N 436.667 3.316 0 1 IGAF COC1=CN=C2NC1=Nc1cccc(c1)NC1=NC=C(OC)C(=Nc3cccc(c3)N2)N1 1857748462 GLFBLQVHMFSHIH-UHFFFAOYSA-N 428.456 3.178 0 1 IGAF CC(C)CCC=CC=C[C@H](O)[C@H](C)[C@H](CC=C[C@H]1OC(=O)CC[C@H]1O)OP(=O)(O)O 2356808352 YRXGCLPGKUCVRQ-UHZRXMQZSA-N 446.477 3.023 0 1 IGAF CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2nc3ccccc3s2)CC1 59860186 PKCCKZIQHMGGEH-AEFFLSMTSA-N 427.578 3.125 0 3 IGAF CCCOc1ncc(C(C)=O)cc1-c1nc(O)c2nn(C3CCN(C)CC3)c(CC)c2n1 14955575 KTMCUMTWTVVHGC-UHFFFAOYSA-N 438.532 3.414 0 1 IGAF C[C@@H](NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C 28524525 KSCGPLKTYDMRJM-SECBINFHSA-N 427.288 3.429 0 1 IGAF COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(N)(=O)=O)c(CO)c2)cc1C 33965612 UZLPGHLBOISUPH-UHFFFAOYSA-N 441.431 3.015 0 1 IGAF COc1cc([C@H](O)[C@@H](C)Oc2c(OC)cc(/C=C/CO)cc2OC)cc(OC)c1OC 34206519 QHYPOKHWZKVCEW-CUPZOLRKSA-N 434.485 3.236 0 1 IGAF CCOCO[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O 82158006 ICVTXAUKIHJDGV-BXEHRHDKSA-N 448.512 3.448 0 1 IGAF C[C@@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCCC1 95755334 RDUGMXCQARVJSN-INIZCTEOSA-N 442.539 3.088 0 1 IGAF CO[C@@]12C=C[C@@]3([C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]1O6)[C@H]1[C@H]2CC[C@]1(C)O 100576315 HEBLYOJAZBWIJZ-FYASEZPSSA-N 435.564 3.164 0 1 IGAF Cn1cc(Br)c([C@@H]2N=C(Nc3nc4ccccc4o3)NC3=C2C(=O)CCC3)n1 139365552 SLLUTHHLDJDASL-QGZVFWFLSA-N 441.289 3.443 0 1 IGAF NC[C@]1(c2cccc(Cl)c2)CC[C@@H](N2CCn3c(nnc3C(F)(F)F)C2=O)CC1 169144315 KXWVCAHIYMQJOK-PPUGGXLSSA-N 427.858 3.245 0 1 IGAF CC(C)C(=O)[C@@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@H]1c1ccccc1OCCO 169695349 ILSPJTCPWPUOPY-YADHBBJMSA-N 448.475 3.211 0 1 IGAF O=C1NCCCC[C@@H]1NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)cc1F 299877446 HHOFWFTZXZILOM-CMKODMSKSA-N 429.879 3.356 0 1 IGAF COc1cc(-c2nnc3n2N[C@H](c2ccco2)[C@H](C(=O)C2CC2)S3)cc(OC)c1OC 473171644 UGICZJVELBHEFY-VQIMIIECSA-N 442.497 3.302 0 1 IGAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCC(O)(Cc5ccccc5)CC4)[C@@H]3[C@@H](O)[C@]21C 504664276 MWPMSHAXOHRZSG-QNRYKDJOSA-N 439.596 3.341 0 1 IGAF biogenic C[C@]1(c2cccc(S(=O)(=O)N3CCOCC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587530347 CCOMBBDPAAQOFE-XMMPIXPASA-N 441.549 3.467 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cn2cc(C(=O)O)nn2)(C(C)(C)C)N1 587759643 LQVMWJLCODSFGU-MLCYQJTMSA-N 425.302 3.354 0 1 IGAF O=Cc1ccc([C@H](C2CCCCC2)[C@@H]2C[C@H]([C@@H]3CC[C@H]4[C@H](CC[C@H]4O)N3)[C@@]3(O)C[N@]23)cc1 2356453432 YHOOJSBJHQYHSM-SOXVMYNZSA-N 438.612 3.447 0 1 IGAF COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@@H](CO)O1 61921787 YVFPRJXGACQPOR-JGBZDWQXSA-N 430.432 3.027 0 3 IGAF Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CCO)C2=O)c1 3795087 FEDPHEUPXHITDF-HSZRJFAPSA-N 428.492 3.319 0 1 IGAF COc1cc(CCc2cc3c(N)nc(N)nc3s2)c(Br)c(OC)c1OC 32062528 OGVSFMIDAZPLJT-UHFFFAOYSA-N 439.335 3.429 0 1 IGAF O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CCO)C1=O)OCc1ccccc1 38731790 ZLTJPOXBSZYJED-QHCPKHFHSA-N 429.476 3.115 0 1 IGAF CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)Cc2ccc(-c3ccccc3)cc2)C1 82198198 QLZNAPVASQEFDK-IEXUWNMDSA-N 438.568 3.179 0 1 IGAF C=CC(=O)Nc1cccc(-n2c(=O)c(C)nc3cnc(Nc4ccc(OC)cc4)nc32)c1 96933676 FGPPXNCHKYRZCI-UHFFFAOYSA-N 428.452 3.361 0 1 IGAF CNC(=N)N1C=CC[C@@]2(C1)[C@@H]1CC[C@@H](C)[C@]23C[C@](O)(COC2CCCC2)C(C(=O)O)=C3C1 103524811 LSNZCSNGWVEELB-JOLCWTIHSA-N 443.588 3.258 0 1 IGAF biogenic,in-vitro CCC(CC)CN(CCCN1[C@H]2CC[C@@H]1C[C@H](c1cccc(C(N)=O)c1)C2)C(=O)CO 117035445 ONSXQIYRWWZPKH-NUNAXRQHSA-N 429.605 3.143 0 1 IGAF COCCC(=O)N1CCC[C@H](Nc2nc(-c3c[nH]c4ncc(Cl)cc34)ncc2F)C1 165789372 QIEAQDBDVUARQA-ZDUSSCGKSA-N 432.887 3.252 0 1 IGAF 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435.407 3.313 0 1 IGAF CS(=O)(=O)C[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360133 LTSXCXDFBFISNX-IFMALSPDSA-N 427.453 3.225 0 1 IGAF CC1=CCC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)C2CC3(COC3)C2)c1O 1772626648 LTRVUPGTGMLLPH-CQSZACIVSA-N 426.922 3.229 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N[C@H]2CCC[C@@H]2Nc2ncc(C(F)(F)F)cn2)c1 1772631680 JDBTURUQQZGBCW-HOTGVXAUSA-N 431.422 3.148 0 1 IGAF Cc1cnc(CNC(=O)c2nc(CCNCc3nc4ccccc4[nH]3)sc2Cl)nc1 1857535386 LHKQAWKJTFRAKP-UHFFFAOYSA-N 441.948 3.034 0 1 IGAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1F 1857640732 SXRJCGVHEUGTAU-RRZZWSPOSA-N 449.486 3.446 0 1 IGAF COC(=O)c1c(Nc2ccc(-c3ccc(OC)c(OC)c3)cc2)c2nccnc2n(O)c1=O 1857643880 ALEQXPIFFCLRAW-UHFFFAOYSA-N 448.435 3.243 0 1 IGAF COC(=O)C=CCC=CC[C@@H]1[C@H](O)C[C@H](O)[C@@H]1C=C[C@@H](O)COc1cccc(Cl)c1 2356331138 FNAMRDZHKYQEBA-BLCKVISQSA-N 436.932 3.059 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccc(C(C)C)cc2)[C@@H]1C(=O)NCCOCCO 4152111 FVSMHOWJZJBHSY-ISKFKSNPSA-N 440.540 3.426 0 1 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OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@@H](NCc2cccc(F)c2)C[C@H]1O 2356288867 MATYFZSVPFNLFW-BAMDZGJYSA-N 425.479 3.112 0 1 IGAF CC(C)(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccccc2C(F)(F)F)n1 2356730795 HXWPJXFTLYPZAL-CUDHKJQZSA-N 437.506 3.483 0 1 IGAF CCCN(C)C(=O)CN1C[C@H](c2cccc(OC)c2)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1 13760914 SOJFYIBAYMDZOI-JRFVFWCSSA-N 440.540 3.414 0 1 IGAF Cc1c(C(=O)N2C[C@@H](C)C[C@@H](C)C2)sc2ncn(CC(=O)N3CCCC[C@H]3C)c(=O)c12 33633778 TUAHKSACRLLIOE-OWCLPIDISA-N 444.601 3.286 0 1 IGAF COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1 34858183 LTJDGGFZGCNOLH-UHFFFAOYSA-N 430.570 3.439 0 1 IGAF COc1cc2nnc(C(N)=O)c(Nc3cccc(Cl)c3F)c2cc1N1CCN(C)CC1 66079968 WQSAHRZHKPUJHY-UHFFFAOYSA-N 444.898 3.025 0 1 IGAF CC1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=S)Nc2ccc(N(C)C)cc2)CC1 67870784 DFEOHFPYKPPMQV-SXWKCWPCSA-N 429.678 3.481 0 1 IGAF biogenic Cn1nc(Cc2cccs2)c2c3c(c(=O)[nH]c21)CN(C(=O)c1c(F)cccc1F)CC3 82196219 QGYVTYTWWMNYNX-UHFFFAOYSA-N 440.475 3.391 0 1 IGAF O=C(C1CCOCC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2Cc1ccc(Cl)cc1 95668393 JLFWYUZXXXGVIM-PKTZIBPZSA-N 440.971 3.308 0 1 IGAF N[C@H]1CCc2ccc(OCCN3CCCS3(=O)=O)cc2[C@H]1Cc1cccc(Cl)c1 143212169 PLNRNWCBXKAVPU-YADHBBJMSA-N 434.989 3.354 0 1 IGAF C[C@]1(c2nc(NC(=O)c3ncc(OCF)cc3Cl)ccc2F)N=C(N)OCC1(F)F 205888928 UXWJPYCELGAIGP-MRXNPFEDSA-N 447.776 3.023 0 1 IGAF N[C@H](CNc1nc(-c2ccncc2)nc2c(-n3ccnn3)csc12)Cc1ccccc1 223663754 DZVGPWQVGAPPER-KRWDZBQOSA-N 428.525 3.316 0 1 IGAF CCOC(=O)C1=C(Nc2cccc(F)c2)C(=O)N(c2cccc(F)c2)[C@H]1C(=O)OCC 299820242 FRFIHTCATOUPAA-LJQANCHMSA-N 430.407 3.172 0 1 IGAF O=C(O)CN(Cc1cccc(OC(F)(F)F)c1)Cc1ccc(C(=O)O)c(C(=O)O)c1 473089034 QMIVEXNROISARU-UHFFFAOYSA-N 427.331 3.068 0 1 IGAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)cc1 586943943 KEGRTPLQNXGPII-UHFFFAOYSA-N 441.900 3.354 0 1 IGAF O=C1COc2cc(Br)ccc2N1CCc1nc2cc3c(cc2[nH]1)OCCCO3 587001061 CEOBGYUOXRWYRD-UHFFFAOYSA-N 444.285 3.455 0 1 IGAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cccc(S(N)(=O)=O)c4[nH]3)c(F)c2)c1 587147219 GWXDRGIKHVLENR-UHFFFAOYSA-N 441.440 3.390 0 1 IGAF CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)N[C@@H](C)Cc1cc(Br)c(F)cc12 587800189 VVGUYGGLYSIBCR-GAVQZSGMSA-N 442.325 3.470 0 1 IGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 587873382 YFHUXKWSXFLFGX-UHFFFAOYSA-N 432.496 3.281 0 1 IGAF CC[C@@H](c1nnnn1Cc1nccs1)N1CCN(c2nc3cccc(F)c3s2)CC1 653807534 KTEYNNPECBLHRL-HNNXBMFYSA-N 444.565 3.200 0 1 IGAF O=C(NCc1ccccc1Br)C1CC2(C1)NCCc1nc3ccccn3c12 962989511 RCKLXKNUKFCJQF-UHFFFAOYSA-N 425.330 3.164 0 1 IGAF O=C(Nc1cccnc1)C1=COC2=NC(=O)N(Cc3ccccc3C(F)(F)F)CCN12 1857593892 HHXWSDJHCDLCRM-UHFFFAOYSA-N 431.374 3.204 0 1 IGAF CNC(=O)c1c2cc3c(cc2nn1-c1ccc(F)cc1)N(S(C)(=O)=O)CCC[C@@H]3C 1857644764 CSTFUCLICZHRBT-ZDUSSCGKSA-N 430.505 3.188 0 1 IGAF CCCCN=c1[nH]c2c(s1)C[C@]1(C)CC[C@H]([C@H](C)C(=O)N3CCOCC3)[C@H](O)[C@H]1[C@H]2C 2356315996 UGPFCDZUYKBHID-MJRGCGOKSA-N 449.661 3.325 0 1 IGAF O=C(N[C@H]1CN(CC2CCCCC2)CCC[C@H]1O)c1ccc(OCCN2CCCC2)cc1 2356847260 OVHRZLONEBAXMQ-LOSJGSFVSA-N 443.632 3.297 0 1 IGAF O=C(CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1)N1CCCc2ccccc21 103693847 DIQIOMSWFUYKMD-UHFFFAOYSA-N 435.484 3.271 0 3 IGAF C[C@H](Nc1c(-c2c(F)cc(OCCO)cc2F)c(Cl)nc2ncnn12)C(F)(F)F 40577217 LQUQZWNUVMXWOH-ZETCQYMHSA-N 437.756 3.457 0 1 IGAF N=C(N)SCCCN1C(=O)C2=C(C1=O)n1ccc3cccc(c31)[C@@H]1Cc3ccccc3N21 40913555 XAOYRTHHGGFHKY-SFHVURJKSA-N 443.532 3.313 0 1 IGAF O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1 43010745 FHPQNWRMRMCTGJ-NRFANRHFSA-N 426.538 3.059 0 1 IGAF COCc1nnc(N2CC[C@@H](Oc3cc(F)cc(F)c3C)C2)n1-c1ccc(OC)nc1 45393561 IGNSUDMIGORDMP-MRXNPFEDSA-N 431.443 3.062 0 1 IGAF C[C@@H]1CC[C@@H](C(=O)Nc2ccccc2)CN1c1cc(-c2ccc3c(N)[nH]nc3c2)nc(N)n1 71296699 TXXYVBLFLGPQOR-GDBMZVCRSA-N 442.527 3.428 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(C(=O)Nc2cccc(F)c2)C1 95793787 ZMFWQODFXHMLGC-FQEVSTJZSA-N 438.503 3.090 0 1 IGAF CCO[C@H]1CC[C@](C)(N2CCC(n3c(=O)oc4ccc(S(C)(=O)=O)cc43)CC2)CC1 101638137 GBZSJPUHVOXXGF-LMTLIKQPSA-N 436.574 3.373 0 1 IGAF CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c(O)c2ccccc21 101993177 SOFODHQSYAYGOB-UHFFFAOYSA-N 427.482 3.020 0 1 IGAF CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCCNCC4)cn3)nc2n1C1CCCC1 117729499 GXSHOVGORXNAQT-UHFFFAOYSA-N 448.575 3.187 0 1 IGAF COC(=O)Nc1nc2cc([C@]3(O)c4ccccc4C(=O)N3Cc3nccs3)ccc2[nH]1 141255696 MWXROFUCHQSRRT-NRFANRHFSA-N 435.465 3.047 0 1 IGAF CC[C@@H](NC(=O)c1cc(C(=O)N[C@@H](C)c2cnccn2)c2n1CCOC2)c1ccccc1 146103126 ILVSFGPCXVPGET-QFBILLFUSA-N 433.512 3.180 0 1 IGAF O=C(Nc1ccc(OC2CCN(C(=O)[C@H]3CCOC3)CC2)nc1)N1Cc2ccccc2C1 166771876 KFXFNUDLOXWSMG-IBGZPJMESA-N 436.512 3.036 0 1 IGAF O=C(NC[C@H](c1cnc(C(F)(F)F)nc1)N1CCOCC1)c1cccc(F)c1Cl 207649615 ALSLWZGLVVGBKG-CQSZACIVSA-N 432.805 3.091 0 1 IGAF Cn1cc(-c2cc(C(N)=O)nc3cc(CN4CCS[C@@H](C(F)(F)F)C4)ccc23)cn1 221618901 XQVPFMFFDRXBTC-GOSISDBHSA-N 435.475 3.214 0 1 IGAF CC(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@H]3C(=O)C[C@]12C 253647940 UHWOAYITUVVFCV-BSLRPJOHSA-N 434.529 3.226 0 1 IGAF COc1cc(Br)cc(C=O)c1OCc1nc2cc3c(cc2[nH]1)OCC(=O)N3 586980301 OGYQRVDMLHCRHY-UHFFFAOYSA-N 432.230 3.056 0 1 IGAF CCO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)[C@H](O)C(=O)[C@@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@@]23C)CO1 2356602736 KOGYNKSBLTVNPI-FHMSFIGDSA-N 438.561 3.011 0 1 IGAF CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N1C(=O)N(c3ccccc3)C(=O)[C@@]21CC 15936625 KHYHLMAVGIEBNE-KYCQWFEFSA-N 431.492 3.288 0 3 IGAF O=C(c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)c1)N1CCN(c2ccc(F)cc2)CC1 3014851 MWQZSEVCUHJSHP-HLYHAVAHSA-N 445.494 3.100 0 1 IGAF Cc1nn(CC(=O)NCCc2ccccc2Cl)c(=O)c2nn(-c3ccccc3)c(C)c12 8593657 DBHTXUFFIKTSSY-UHFFFAOYSA-N 435.915 3.211 0 1 IGAF O=C(c1cccc2c1C(=O)N(Cc1cccnc1)C2)N1CCN(c2ccc(F)cc2)CC1 9681625 PLMAXMVSKXIAQY-UHFFFAOYSA-N 430.483 3.339 0 1 IGAF CC(C)(C)OC(=O)NC[C@H]1CN(c2cc(F)c(N3CCCOCC3)c(F)c2)C(=O)O1 40865572 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C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(S(=O)(=O)N(C)C)c2)N1 587838989 FLMMVVPIYDDOES-ZMZPIMSZSA-N 427.339 3.462 0 1 IGAF O=S(=O)(NCCNC/C=C/c1ccc(-c2cncnc2)cc1)c1cccc2cnccc12 1857548167 BGUGHOHEUBSCDB-NSCUHMNNSA-N 445.548 3.273 0 1 IGAF CC(C)(C)c1cnn(CC(=O)Nc2ccc(-n3c4c(c5nc[nH]c(=N)c53)CCC4)cc2)c1 1857598137 IZLKUOGPCIXLHO-UHFFFAOYSA-N 429.528 3.454 0 1 IGAF C[C@H](O)CN=c1nc2c(ncn2[C@@H]2CCCCO2)c(Nc2ccc(Br)cc2)[nH]1 1857640067 OKHJRHFBOMASNR-WFASDCNBSA-N 447.337 3.246 0 1 IGAF CCCCNC(=O)c1ccc2c(c1)NC(=O)CN2Cc1cc(OC)c(OC)c(OC)c1 1857766087 GBUIWJZJXRDHJP-UHFFFAOYSA-N 427.501 3.201 0 1 IGAF CN1C[C@H](NC(=O)c2ccccc2)CCC[C@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356337465 ZDVKSJGUCXZASU-GHTZIAJQSA-N 443.494 3.028 0 1 IGAF O=S(=O)(c1ccccc1Br)N(C[C@@H](O)COCc1ccccc1)C1CC1 61943368 QZLWCXIREQODSK-QGZVFWFLSA-N 440.359 3.180 0 3 IGAF Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@@H](C)O3)O2)c(=O)[nH]c1=O 3641391 VNNRNHSLBICHPY-OBWOGIPDSA-N 440.776 3.247 0 1 IGAF Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)O)C2=O)c1 13732625 WMUAZVBWFKBBJD-QHCPKHFHSA-N 442.475 3.411 0 1 IGAF CN(C(=O)OC(C)(C)C)C1=C(O)[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)OC1=O 26841451 DSWAYLHGYRWPGK-QHCPKHFHSA-N 432.517 3.466 0 1 IGAF COc1ccc(C(=O)CN2c3ccccc3C(=O)N(Cc3ccccc3)S2(=O)=O)cc1 26947195 LDULEPBGXYGGLL-UHFFFAOYSA-N 436.489 3.285 0 1 IGAF Cc1cc(CNC(=O)c2ccc(N3CCC(Oc4ccccc4Cl)CC3)nn2)[nH]n1 28655395 RJZQNKSXPGPRCV-UHFFFAOYSA-N 426.908 3.139 0 1 IGAF CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)/C=C\C(=O)O)cc1 28760881 MKNDXTUHRMGFQK-KHPPLWFESA-N 433.892 3.222 0 1 IGAF Nc1ncnc2c1ncn2CCOC[P@]1(=O)OCC[C@H](c2cccc(F)c2F)O1 28974504 ZETKNYMMYZRTLX-MUWSIPGASA-N 425.332 3.032 0 1 IGAF COC(=O)/N=c1\[nH]c2ccc([C@@]3(O)c4ccccc4C(=O)N3CC3CCCCC3)cc2[nH]1 38254022 NGUVWMRBZXOIOT-XMMPIXPASA-N 434.496 3.393 0 1 IGAF CCCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1 38269432 NCJMWOVOUKBBEF-UHFFFAOYSA-N 449.477 3.378 0 1 IGAF CC(C)(C)c1nn(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1CNC1CC1 64549555 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KTOSCBFNTSKPJH-FDDCHVKYSA-N 440.496 3.495 0 1 IGAF Cc1ccc(Nc2ncnc3cc4c(cc23)N(CCCN2CCOCC2)C(=O)CO4)cc1 653719650 VPANVMPLCLKNPE-UHFFFAOYSA-N 433.512 3.130 0 1 IGAF CCNC(=O)COc1cc([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)ccc1OC 962623980 CTVXDDZIPCTJFM-IQMFZBJNSA-N 428.529 3.193 0 1 IGAF O=C1c2cc(-c3ccnc(N[C@@H]4CCNC4)n3)ccc2CN1[C@H](CO)c1cccc(Cl)c1 1857547752 CYTCBCMFQBXTHI-DENIHFKCSA-N 449.942 3.260 0 1 IGAF CCOC(=O)Cc1ccc(-n2cc(CN(Cc3ccccn3)Cc3ccccn3)nn2)cc1 1857578009 SVLOOLPKXURRGZ-UHFFFAOYSA-N 442.523 3.365 0 1 IGAF CC1=C[C@H](CNCCN2CCNC2=O)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 2356302385 UFHFWGAUUJLIDP-PWRODBHTSA-N 438.576 3.144 0 1 IGAF CN(CCNC(=O)[C@@]1(O)c2ccccc2NC(=O)N1c1ccccc1)Cc1ccccc1 3670356 NGXRLEJZSULCKG-VWLOTQADSA-N 430.508 3.132 0 3 IGAF CCOC(=O)[C@]12Cc3cc(C)ccc3[C@H]1N(CCC(=O)OC)C(=O)c1cc(OC)ccc12 95571530 LPKWVGHWFCAILY-RDGATRHJSA-N 437.492 3.121 0 3 IGAF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@@H]2c2c(F)cccc2Cl)C1 772856 OELKGHXKPHEUNY-MFMILTCTSA-N 429.879 3.308 0 1 IGAF CC(C)NCC(=O)NCC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1Cl 2001379 RNMFKCFHCHAVIV-UHFFFAOYSA-N 436.339 3.301 0 1 IGAF C[C@H](CN1CCN(C[C@@H](c2ccccc2)N2CCN(C)CC2)CC1)C(=O)c1ccccc1 22927910 NRCDDSSITXKKIP-BVAGGSTKSA-N 434.628 3.112 0 1 IGAF CNC(=O)NC(=O)C12CC3C[C@@H](C1)C(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@H](C3)C2 28882214 RJTGWEXIFPHKQR-GMCPJNSLSA-N 447.963 3.264 0 1 IGAF NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1cc2ccccc2[nH]1 40895954 RIHKRDVFSOWGFA-NRFANRHFSA-N 426.476 3.247 0 1 IGAF CCOC(=O)[C@H](C)c1nnc2c(C(=O)N(CC)CC)c(NCC(C)C)c3cccnc3n12 40957125 QXABQLDOIDLDGI-OAHLLOKOSA-N 440.548 3.494 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2OC[C@H](C)NC[C@H]1C 95688233 XIVHHYMBMNMMDK-VVBPWWLESA-N 443.519 3.172 0 1 IGAF C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C3=CCCC3)cnc2O[C@@H]1CN(C)C(=O)C1CCC1 95701279 STOWNMHVDAONBA-PNLZDCPESA-N 441.572 3.128 0 1 IGAF CC(C)[C@H]1c2nc3ccc(S(C)(=O)=O)cc3n2CCN1c1nccc(C(F)(F)F)n1 147715519 SEQLXXRHDQNPMX-INIZCTEOSA-N 439.463 3.466 0 1 IGAF CC(C)CN(Cc1cnc2c(c1)OCCCO2)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 148827577 YWJIAGILNWVMDU-HSZRJFAPSA-N 439.556 3.129 0 1 IGAF COCCN1C(=O)[C@]2(N=C1N)c1cc(CCC3CC3)ccc1CC21CCC(OC)CC1 201244225 AJANKWAQSZASAI-LRARRHDQSA-N 425.573 3.159 0 1 IGAF Cc1cc(Cl)cnc1C(=O)Nc1ccc2c(c1)[C@@]1(COC(N)=N1)C1(COC1)C(C)(C)O2 207168117 WTTPTTMLIGTSRC-QFIPXVFZSA-N 442.903 3.024 0 1 IGAF CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC2C3CC4CC(C3)CC2C4)cc1F 216198411 GDHQZRMLCQKPPX-UHFFFAOYSA-N 430.929 3.219 0 1 IGAF NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc(N)c2C2=CCCC2)CC1 218690925 IIZJUCZMRWRRHC-GOSISDBHSA-N 432.494 3.467 0 1 IGAF CS(=O)(=O)c1nc(NS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)c(O)cc1Cl 222892739 WIKBRRPRVHIUMK-UHFFFAOYSA-N 445.733 3.093 0 1 IGAF O=C1c2cc(-c3ccnc(NC4CCOCC4)n3)cn2CCCN1[C@H](CO)c1ccccc1 473135632 QGLYANQKQKONGT-HSZRJFAPSA-N 447.539 3.116 0 1 IGAF N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2nc(Cl)c[nH]c-2n1 586976825 CBOQENHWWVOENS-QMMMGPOBSA-N 447.518 3.431 0 1 IGAF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(F)cc(Br)c2[nH]1 587227580 PEHKBWGBOWJGLJ-UHFFFAOYSA-N 435.253 3.007 0 1 IGAF CCN(CC)c1ccc(-c2nn(C(=O)c3cnc(C)nc3)c(=O)c3ccccc23)c(O)c1 587665981 VQQPSOAJDSOEQD-UHFFFAOYSA-N 429.480 3.402 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccn(Cn2nc(C)cc2C)n1 587868804 TXLRDDGXJXTQSO-UHFFFAOYSA-N 445.405 3.177 0 1 IGAF CC[C@H](C)[C@H](O)[C@H](C)C(=O)O[C@]1(C)C(=O)c2c(cc(O)c3c2CCC[C@@H]3C)[C@@](C)(O)C1=O 2356536659 PHZTWQVIBIBVMW-JPOXZFQESA-N 446.540 3.150 0 1 IGAF O=C(NC1CCCCC1)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(F)c4)n3)CO[C@@H]12 2356810774 BBHWCGHKLGCPGO-BQJUDKOJSA-N 442.491 3.288 0 1 IGAF CCSc1nc(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1 103940858 WDLYQIYFNLRETR-KRWDZBQOSA-N 440.477 3.327 0 3 IGAF O=C(c1ccccc1Cl)N1CCC[C@H](c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)C1 103968153 GLPXZTAFTJVRRR-INIZCTEOSA-N 448.914 3.188 0 3 IGAF O=C(c1ccco1)N(C(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1ccccc1 5596771 YIUYIQVLJOFKOY-UHFFFAOYSA-N 439.493 3.053 0 1 IGAF N[C@H](C(=O)N1CCSC1)C1CCC(NC(=O)OCc2ccc3ccccc3c2)CC1 13588242 ZHBCFUGAJMXZDU-MNLRITNHSA-N 427.570 3.485 0 1 IGAF COc1ccc(C(=O)N2CCN3C(=O)c4cc(-c5ccsc5)ccc4NC(=O)[C@H]3C2)cc1 25207970 NZONOOSULAMWLQ-OAQYLSRUSA-N 447.516 3.343 0 1 IGAF biogenic Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)OCc4ccc5ccccc5c4O3)O2)c(=O)[nH]c1=O 26726253 ZHKOLIRMRROCEX-PRCJDROHSA-N 442.364 3.186 0 1 IGAF CCCCOC(=O)C(=O)[C@@H](CC)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 27095984 YBCYKWLFCIPEMH-RTBURBONSA-N 434.533 3.135 0 1 IGAF NC(=O)CCn1c(NC(=O)c2ccsc2)nc2cc(C(=O)NC3CCCCC3)ccc21 28822755 WJFHDSLGZITKRZ-UHFFFAOYSA-N 439.541 3.288 0 1 IGAF CN1CCN(Cc2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)CC1 36403632 PTDMJHNCPAZVKF-UHFFFAOYSA-N 448.386 3.388 0 1 IGAF CCCc1nc(-c2ccccc2)oc1C(=O)N[C@@H](C)CN1CCN(c2ncccn2)CC1 45392135 YPQGHFUUPYKNGV-SFHVURJKSA-N 434.544 3.025 0 1 IGAF Cc1nc2cc(-c3ccc4c(c3)OCO4)nn2c(N2CCN(C(=O)c3ccoc3)CC2)c1C 95568177 FDXVYKMRGPSERJ-UHFFFAOYSA-N 445.479 3.297 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(CC2CC2)C[C@H]1C 95679613 FJDWUCHGYMGICZ-SAHWJRBASA-N 443.588 3.251 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(C)C[C@H]1C 95689181 GJRFAEJZYRRRGG-PNCHPQGNSA-N 439.556 3.375 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3F)ccc2OC[C@@H](C)NC[C@H]1C 95692188 ULFQVHHILZHREN-MCFFVMPBSA-N 443.519 3.172 0 1 IGAF CO[C@@H](CN(C)Cc1ccc2c(c1)OCO2)[C@H](C)CN(C(=O)c1ccccc1)[C@@H](C)CO 95898979 RDQYWFNTQPCNSM-IMWIBFENSA-N 442.556 3.021 0 1 IGAF Cc1c(N2CCN(Cc3cc4c(cc3Cl)OCO4)CC2)c(=O)oc2cc(O)cc(O)c12 96914579 HIICSLLXAOKWMJ-UHFFFAOYSA-N 444.871 3.217 0 1 IGAF CS(=O)(=O)N1C[C@@H]2[C@H](c3ccc(Br)cc3)[C@H](C1)N2Cc1ccc(F)cc1 100088149 JXYPYHVNUCLONJ-BWTSREIZSA-N 439.350 3.200 0 1 IGAF COc1cccc(-c2cc3c(NC4[C@@H]5CC6C[C@@H]4CC(O)(C6)C5)c(C(N)=O)cnn3c2)c1 146096169 CZLSGBPNEBDSKP-CCFZTHDUSA-N 432.524 3.460 0 1 IGAF Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2CCCN2[C@@]2(C(=O)Nc3ccc(C)cc32)[C@H]2CCCN21 253776554 AJLWQLFSQWOCDO-USXZWKKNSA-N 428.536 3.241 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](O)c1ccccc1 299878223 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3.272 0 1 IGAF O=C(O)c1c(NS(=O)(=O)c2ccccc2NC[C@H]2CCNC2)ccc2c1CCCC2 14964520 PIJOZYSVYHUJFP-HNNXBMFYSA-N 429.542 3.086 0 1 IGAF COc1cc(C[C@@H]2CO[C@@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]2CO)cc(OC)c1OC 15271196 DUVOJNBKVJQATO-YVHKJVDXSA-N 448.512 3.277 0 1 IGAF biogenic CC[C@@H]1CCCCN1CCNC(=O)c1ccc2c(=O)n(C3CCCCC3)c(=O)[nH]c2c1 28639877 LOVHOTNEYGISBR-GOSISDBHSA-N 426.561 3.189 0 1 IGAF C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)NCC(C)(C)C)cs4)cc3n21 29127922 JGNZTJUQNULPSL-LBPRGKRZSA-N 439.541 3.430 0 1 IGAF COC(=O)c1ccc2c(c1)c1c(n2CCCNc2nc(OC)nc(OC)n2)CCCC1 73166692 XUSSDKOPUWHIMS-UHFFFAOYSA-N 425.489 3.011 0 1 IGAF COc1cccc(CNc2nc(N3CCC[C@@H](CO)C3)nc3cc(OC)c(OC)cc23)c1 82125886 UDWPKFFWOLLIOX-QGZVFWFLSA-N 438.528 3.476 0 1 IGAF COc1ccc2[nH]c(=O)n([C@@H](CC3CCCCC3)C(=O)Nc3nccs3)c(=O)c2c1 95602940 DLYIWDJFWWUGFD-KRWDZBQOSA-N 428.514 3.305 0 1 IGAF COC1(c2cn(C3=NCC(=O)N4CCc5c(cccc5-c5ccc(F)nc5)C4=C3)cn2)CC1 148963740 HWFIZNADZOTYAB-UHFFFAOYSA-N 443.482 3.406 0 1 IGAF CO[C@@H]1/C=C/C=C\C=C/C[C@@H](C[C@@H](C)O)OC(=O)/C=C\C=C/C=C\C[C@@H](O)C[C@@H](O)C1 169291027 RVOQCIAUFIYHFP-SXENDVIQSA-N 432.557 3.317 0 1 IGAF CC1(C)O[C@@H]2O[C@@H](Cc3cn4cc(Cl)ccc4nc3=O)[C@@H](OCc3ccccc3)[C@H]2O1 299849321 HOWKYARCUKDYLB-RYTRXMBJSA-N 442.899 3.352 0 1 IGAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cnc(C(F)(F)F)[nH]c-4n3)CC2)cc1 586955561 QVFFVDQVMVUYIO-UHFFFAOYSA-N 425.436 3.200 0 1 IGAF CCCCNS(=O)(=O)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587085036 MTNRPADXALZSGJ-UHFFFAOYSA-N 448.980 3.469 0 1 IGAF CCN1C(=O)C(=O)N[C@@H]2C[C@@H](C(=O)Oc3ccc4ccccc4c3Br)CC[C@H]21 618015859 GQKPIMKYFDIJFR-NUEKZKHPSA-N 445.313 3.023 0 1 IGAF CC1(C)CC2=C([C@]3(C)CC(=O)N(C4CC4)[C@H]3O2)[C@]2(C1)N[C@H](C(=O)O)Cc1cc(F)ccc12 962912407 PGQQLLPFOROWPE-CAMNJQOISA-N 440.515 3.451 0 1 IGAF COc1c(F)cccc1-c1ccc(CC(=O)N(C)c2nc(C)c(S(N)(=O)=O)s2)cc1 1772644203 BKQQBLBVQOKEPG-UHFFFAOYSA-N 449.529 3.119 0 1 IGAF N=C1NC(N2CCOCC2)=N[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 1857613283 AWHBULOCGPPCEE-FQEVSTJZSA-N 435.919 3.007 0 1 IGAF CCCC(=O)O[C@]1(C(=O)CO)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 3977793 BMCQMVFGOVHVNG-LNYYDMFSSA-N 432.557 3.133 0 1 IGAF COc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 9722983 PRRINYATALXQBH-UHFFFAOYSA-N 446.504 3.019 0 1 IGAF Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)Oc4cccc(Cl)c4[C@@H](C)O3)O2)c(=O)[nH]c1=O 13561193 VNNRNHSLBICHPY-XDNQOXQISA-N 440.776 3.247 0 1 IGAF Cc1cccc(Cl)c1Nc1nc2ccc(N3CCN(CCO)CC3)nc2n2cncc12 13582086 IEVSCTYDBMFTDY-UHFFFAOYSA-N 437.935 3.097 0 1 IGAF COC(=O)c1ccccc1NC(=O)CN1CCC(N2C(=O)OCc3cc(C)ccc32)CC1 13612769 ZMUMCGCHCZBZEU-UHFFFAOYSA-N 437.496 3.341 0 1 IGAF C[C@@H]1[C@H](N)CN1c1c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(F)cc3F)c2c1Cl 28224258 MGBPVANPCHUGII-XLKFXECMSA-N 437.805 3.295 0 1 IGAF CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3ccccc3N2)c1=O 29128630 SVLHDHVYVKADRI-UHFFFAOYSA-N 444.538 3.285 0 1 IGAF CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc([C@H]3CCOC3)c2)CC1 64512740 IROUFPLAOXNCIN-WDJPJFJCSA-N 444.522 3.156 0 1 IGAF COc1ccc(C(=O)O[C@H]2CC(C)=C[C@H](O)[C@@]3(C)[C@@H](OC(C)=O)C[C@@](O)(C(C)C)[C@H]23)cc1 72124861 QUWQRANGMXSSTD-IJPOMDLSSA-N 446.540 3.277 0 1 IGAF CC(=O)NCCNC(=O)c1cnc(NCc2ccccc2C(F)(F)F)nc1-c1ccco1 82142797 ALGWTQRIYOGZTA-UHFFFAOYSA-N 447.417 3.233 0 1 IGAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc(F)cc2)C1 82214984 YKCKRDBCBAXTMJ-WBVHZDCISA-N 427.524 3.481 0 1 IGAF O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NC1CCCCC1 95899366 CUTMPUHEHQEQIE-UYLMIGBBSA-N 442.556 3.259 0 1 IGAF CCNC(=O)c1ccc(N2CCN(Cc3cc(C)c4c(c3)NC(=O)[C@@H](C)O4)CC2)c(C)c1 96274110 NDPXSBJMMOJZHP-GOSISDBHSA-N 436.556 3.095 0 1 IGAF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1c(-c2ccccn2)nc2sc(C)cn12 96906071 KUZWGKCFHSPPCJ-UHFFFAOYSA-N 438.509 3.347 0 1 IGAF CCC(CC)Cn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccnc21 101006078 PFOMQHSEHJNPOK-UHFFFAOYSA-N 426.498 3.099 0 1 IGAF Cc1c(C(=O)N2CC(N3CC(NC(=O)c4nccs4)C3)C2)sc2ccc(Cl)cc12 113233220 VETMFFDOVGFJKZ-UHFFFAOYSA-N 446.985 3.258 0 1 IGAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC(C(=O)N2CCCC2)C1 143491226 MTSFUMWUCMZZCL-JOCHJYFZSA-N 430.426 3.160 0 1 IGAF CC(C)n1cc(C(=O)c2cncc(NC(=O)Cn3ncc4ncccc43)c2)c2cncnc21 169707655 BOTLNDCECPFLIU-UHFFFAOYSA-N 440.467 3.022 0 1 IGAF O=C(NC1[C@H]2CNC[C@H]12)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2cccnc2)O3)s1 169710674 QUDADUNQTFOUAW-LNLFQRSKSA-N 434.521 3.344 0 1 IGAF CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@H]1Cc1ccc(F)cc1 199681427 WWQMJMXWEMVOMB-DNQXCXABSA-N 446.588 3.394 0 1 IGAF COCCN1C(=O)[C@@]2(N=C1N)c1cc(CCC3CC3)ccc1CC21CCC(OC)CC1 201244259 AJANKWAQSZASAI-VZTJNBFISA-N 425.573 3.159 0 1 IGAF O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOCC2)c(-c2ccn[nH]2)c1 224411432 JSHXKAWCLWZMFW-UHFFFAOYSA-N 433.390 3.459 0 1 IGAF O=C(c1ccccc1-n1nccn1)N1C[C@H]2C[C@H](Nc3ccc(C(F)(F)F)cn3)[C@H]1C2 261187975 YCPPLHONVRZFSC-QANKJYHBSA-N 428.418 3.396 0 1 IGAF C[C@H](N[P@@](=O)(Oc1ccccc1)O[C@@H]1C[C@H](O)[C@@H](CO)C1)C(=O)OC1CCCCC1 299857633 OECPHGYRAGLETE-VFQCLMNQSA-N 441.461 3.176 0 1 IGAF CC(C)[C@@](C)(O)c1nc2c(N)nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc2[nH]1 586891037 RXHFEVRGSSIDHT-HSZRJFAPSA-N 446.490 3.398 0 1 IGAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3c(O)nc(S)nc3[nH]1)C(=O)OC2 586915929 SPRYMMSRVLXKMU-RUDMXATFSA-N 442.497 3.162 0 1 IGAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 586946477 QSJXHJDVHXOKJG-LBPRGKRZSA-N 440.447 3.409 0 1 IGAF Cc1cc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2cc1Br 586954455 BOFIZFFVSQIPNT-UHFFFAOYSA-N 435.347 3.201 0 1 IGAF Cc1c(I)cnn1[C@H](C)c1nc2ccc(Br)nc2[nH]1 587181759 CCRJHPAUUIDWEI-SSDOTTSWSA-N 432.063 3.439 0 1 IGAF CCCCNS(=O)(=O)c1ccc2nc(C[C@H](NC(C)=O)c3ccc(C)cc3)[nH]c2c1 587216702 KGBCNERGKPPLET-FQEVSTJZSA-N 428.558 3.370 0 1 IGAF C=CN1CC[C@H]([C@@]2(c3cnccn3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1=O 587581131 GHLRLDRHIBPQSE-YFBXQHAESA-N 429.432 3.031 0 1 IGAF COc1ccc([C@@]2(COCC(=O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587592851 HRJSHXKTFQQQEO-XUZZJYLKSA-N 436.416 3.359 0 1 IGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(C)CC(=O)Nc1nccs1 963135736 FTBJALWMDMUJCB-VOJFVSQTSA-N 438.531 3.090 0 1 IGAF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1cnc2n[nH]c(Cl)c2c1 963148326 PUFSXXAVQPWFOO-NWDGAFQWSA-N 435.893 3.404 0 1 IGAF Cc1cc2c(cc1N1C(=O)c3cccc4c(CCCCO)ccc(c34)C1=O)n(C)c(=O)n2C 1772597762 LGZFUXSDGGGPHG-UHFFFAOYSA-N 443.503 3.454 0 1 IGAF CCOc1ccc([C@H]2C(=O)N(C3CCCCC3)CC(=O)N2C[C@H]2CCCO2)cc1OC 4111990 MLJVJWTXGCQPOB-XXBNENTESA-N 430.545 3.318 0 3 IGAF COc1ccc(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2C(F)(F)F)ccc1=O 3826075 KLUVCLVZGZNHBB-HNNXBMFYSA-N 436.386 3.203 0 1 IGAF C[C@@H]1C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl 12503162 QLIIKPVHVRXHRI-ZVINJEGSSA-N 427.368 3.412 0 1 IGAF world O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCC[C@@H]1[C@@H](O)c1nccs1 13738811 APRVRUVZWFSCQI-SVFBPWRDSA-N 427.570 3.181 0 1 IGAF CCN(CC)c1ccc2c(cc1=O)[C@@H](NC(C)=O)CCC1=C[C@H](OC)[C@@H](OC)C(OC)=C12 27711421 LIJMGLFRJYNQAJ-NGYIFUPDSA-N 442.556 3.192 0 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O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cccc(N2CCN(c3ccccc3)CC2)n1 139484109 MDXZTCQQFFSNJD-SDKVMHBISA-N 432.568 3.078 0 1 IGAF CCCS(=O)(=O)NCCOc1ccc2c(c1)[C@@H](Cc1ccccc1F)[C@@H](NC)CC2 142262821 ILGDWEJGIYFNNN-GGAORHGYSA-N 434.577 3.394 0 1 IGAF O=C(c1ccccc1-c1nnc[nH]1)N1C[C@@H]2CN(c3nccc(-c4ccccc4)n3)C[C@@H]2C1 146987095 XRQIBGUHWRIHEW-KDURUIRLSA-N 437.507 3.137 0 1 IGAF O=c1cccc2n1C[C@H]1C[C@@H]2CN([C@H](c2cccc(F)c2)c2sc3ncnn3c2O)C1 169294034 SHAUCOMGACGFDB-ZBQZNYHESA-N 437.500 3.006 0 1 IGAF N[C@@H]1C[C@H]1c1ccc(OCC[C@@H](NC(=O)c2ccc(O)cc2)C(=O)Nc2ccccc2)cc1 169308237 MZQZUCSIMIFCIC-RBZQAINGSA-N 445.519 3.413 0 1 IGAF CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc(C(=O)OCC)cc12 299859078 VUHPWMVCRMXZTN-UHFFFAOYSA-N 429.469 3.379 0 1 IGAF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(O)nc(S)nc4[nH]3)cc2)c1C 586949674 WODIICPPGULLAU-UHFFFAOYSA-N 427.511 3.432 0 1 IGAF CC1=C(c2ccc3nc([C@@H]4CC(=O)N(Cc5ccc(F)cc5F)C4)[nH]c3c2)NNC(=O)C1 587149556 NHWPJUBOQILLCW-OAHLLOKOSA-N 437.450 3.113 0 1 IGAF O=C1c2ccc(O)cc2O[C@@]2(CNS(=O)(=O)c3ccsc32)[C@@H]1c1ccc(F)cc1 587371605 CHZARNKPQQXZDL-XLIONFOSSA-N 431.466 3.139 0 1 IGAF C[C@@]1(c2ccc(S(=O)(=O)CC(=O)O)cc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587506225 RBCLDQKPMYNMFO-QFIPXVFZSA-N 432.469 3.443 0 1 IGAF CN(C)/C=C1\N(C(=O)C(F)(F)F)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587551349 ZWLCYGYXSRMRDI-UJCNWZBESA-N 448.397 3.290 0 1 IGAF CCOc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OCC(N)=O 587576037 DSOYONKHIWCEHJ-ZJSXRUAMSA-N 435.432 3.358 0 1 IGAF COc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 653857516 NQPUBXCSAOHMDA-SKKKSHNUSA-N 440.471 3.342 0 1 IGAF COC(=O)c1cn2c3c(sc2n1)[C@@]1(CCC3)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962728337 DVEYKRMPSMJJKZ-RBZFPXEDSA-N 449.454 3.408 0 1 IGAF CC(C)c1nn(C)c2c1[C@]1(CC(=O)[C@@H](n3cncn3)[C@H](c3cc(F)ccc3F)C1)NCC2 962921402 SYFBFFNDWRPFIZ-GMWOSMDTSA-N 440.498 3.142 0 1 IGAF COc1cnc(NCCn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)nc1OC 1772645564 QMQYHLFKHDGXGK-UHFFFAOYSA-N 449.471 3.018 0 1 IGAF CN1[C@H](C(N)=O)CC[C@@H]1c1ccc(Oc2nnnn2-c2ccccc2C(F)(F)F)cc1 1857534050 PTJMPWMERMXNOZ-WBVHZDCISA-N 432.406 3.094 0 1 IGAF COc1ccccc1-n1c(O)nc2c(C(N)=O)nc(-c3ccccc3Br)nc21 1857604455 HHWKBUJQSQQLEP-UHFFFAOYSA-N 440.257 3.058 0 1 IGAF CC(C)c1cc2c(c(O)c1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)[C@@]1(C)CCCC(C)(C)[C@H]1CC2 2356692696 HTEXSXCVDJMYMF-FOMHPGLYSA-N 434.573 3.364 0 1 IGAF CSCC[C@H](c1nnnn1C(C)(C)C)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 95599183 PNWCKQBWACVCQN-GOSISDBHSA-N 429.594 3.202 0 3 IGAF CN(C)c1ccc(C2=NO[C@@H](c3c(F)cccc3Cl)[C@@H]2C(=O)N2CCOCC2)cc1 4081126 VNBSYORVMNOXEW-CTNGQTDRSA-N 431.895 3.496 0 1 IGAF COc1cc(C[C@H](COC(C)=O)[C@@H](COC(C)=O)Cc2ccc3c(c2)OCO3)ccc1O 14437661 OHTVIXMKRHHBBH-WOJBJXKFSA-N 444.480 3.273 0 1 IGAF biogenic CCN(CC)C(=O)[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1 14947782 RUKDLYKEQAGMLB-FKBYEOEOSA-N 429.511 3.342 0 1 IGAF COc1cc([C@H]2CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc(OC)c1OC 15271418 CILDMLWCNDIKLD-CYBMUJFWSA-N 434.441 3.453 0 1 IGAF biogenic COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2c(C)cc(C)cc2C)CCO1 27706076 KUUVTCZOYVTWFA-KRWDZBQOSA-N 431.964 3.487 0 1 IGAF COc1cc2c(cc1-c1cnco1)C(=O)N(C)[C@]1(CCN(C(=O)N(C(C)C)C(C)C)C1)N2 28529881 OKTOVKZHGZZQQT-QHCPKHFHSA-N 441.532 3.489 0 1 IGAF CN(CCN1CCC2(CC1)C(=O)NCN2c1ccccc1)C(=O)c1ccc2ccccc2c1 72135920 DXRRDMBMMLYBMV-UHFFFAOYSA-N 442.563 3.340 0 1 IGAF O=C(CN1C(=O)CCc2ncccc21)Nc1scc(Br)c1-c1ncco1 72179292 AEIKXFACENTHCD-UHFFFAOYSA-N 433.287 3.479 0 1 IGAF CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)C[C@H]2CC[C@@H]3N2C)cc1 95589446 AQODXCHGIFZIIO-CVAIRZPRSA-N 436.560 3.202 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)Cc1ccccc1)CC31CCN(C)CC1 95868547 FGFUWGHRSXFVAB-QFIPXVFZSA-N 433.552 3.258 0 1 IGAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2ccccc2)[C@@H](C(=O)N2CCCCC2)[C@@H]1CO 95881089 LIQBEMNAEMNYJI-WTRFNCGQSA-N 447.579 3.058 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccn1 95893573 PJZPDGURIMLNLR-WMTXJRDZSA-N 446.482 3.171 0 1 IGAF CC[C@@H]1C(=O)N(C)c2cnc(-n3ccnc3-c3ccc(F)cc3)nc2N1c1ccnn1C 96272644 RJBBMLHRKBGRBY-MRXNPFEDSA-N 432.463 3.095 0 1 IGAF N[C@H]1C[C@@H]1c1ccc(OCC[C@@H](NC(=O)c2ccc(O)cc2)C(=O)Nc2ccccc2)cc1 103230208 MZQZUCSIMIFCIC-TZRRMPRUSA-N 445.519 3.413 0 1 IGAF COc1cc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)ccc1O[C@@H]1CCCOC1 141912079 HXIHZWDMJDTXDW-SJLPKXTDSA-N 449.507 3.378 0 1 IGAF O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)[C@@H](Oc2ncc3ccccc3n2)C1 149569207 FDQBVPXGICYVJR-IBGZPJMESA-N 436.422 3.139 0 1 IGAF O=C(O)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1c2ccccc2CCN1C(=O)Cc1ccccc1 169304280 RAGDYQYPVCJBHC-ZLNRFVROSA-N 434.536 3.362 0 1 IGAF Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1 169353222 ZJZXSQPHUQUHIV-UHFFFAOYSA-N 433.493 3.142 0 1 IGAF O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(F)nc2)cn1 205222441 BPJZEQQYTJUNIW-IBGZPJMESA-N 448.355 3.227 0 1 IGAF CCOc1c([C@H](C)n2nc(C)c3c(N)ncnc32)cc(Cl)c(C)c1[C@H]1CNC(=O)C1 217810293 NXXMPAIOHBNOPP-QWHCGFSZSA-N 428.924 3.290 0 1 IGAF Cc1cc(-c2cnc([C@@H](C)Nc3nccc(N4C(=O)OC[C@@H]4[C@@H](C)O)n3)nc2)ccc1F 221662976 NSXQQANUCWJPOY-HBUWYVDXSA-N 438.463 3.260 0 1 IGAF O=C(O)CC[C@]1(c2ccc3c(c2)OCCO3)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962769319 RWSJENDKMQOHJJ-IIBYNOLFSA-N 435.398 3.212 0 1 IGAF COCC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3ccc(OC)cc3)c2C2CC2)C1 1772617304 IGHPVEMXRJXDLQ-UHFFFAOYSA-N 440.544 3.090 0 1 IGAF COC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc(OCc3cn(CCO)nn3)c2)n1 1857652737 MNQZZMHWASXJRP-UHFFFAOYSA-N 443.463 3.333 0 1 IGAF O=C1CN(Cc2c(-c3ccc(Cl)cc3Cl)nc3ccc(-c4ncon4)cn23)CCN1 1857772475 BBVHPMWUMSSSPR-UHFFFAOYSA-N 443.294 3.290 0 1 IGAF C[C@]1(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)C/C=C/c1ccccc1 61930547 GCHCNZOVYNTQJG-WKOQKXSESA-N 432.929 3.239 0 3 IGAF Cc1ccc(NC(=O)N(CCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1 13511780 LLOZTFJFQBMNFP-UHFFFAOYSA-N 436.512 3.203 0 1 IGAF CC(=O)OC/C(=C\CC/C(=C/CO)CO)CC/C=C(/CC/C=C(\C)CO)COC(C)=O 14654726 FMYIRFBIXBPEGS-OMISKFIGSA-N 438.561 3.156 0 1 IGAF O=C(c1cc(Cc2c[nH]c(=O)c3c(Cl)cc(Cl)n23)ccc1F)N1CCCNCC1 45368099 KMYHUIFPSLGYBQ-UHFFFAOYSA-N 437.302 3.100 0 1 IGAF CC[C@H](CO)N1C(=O)N[C@]2(C[C@@H]2c2ccc3cccc(OCc4ccccc4)c3n2)C1=O 73224245 ADMQPLKCCKQMAJ-RRQZXNHTSA-N 431.492 3.363 0 1 IGAF CC(C)n1ncc2c1C(=O)CC1(CCN(C(=O)c3ccc4[nH]c(C(N)=O)cc4c3)CC1)C2 95584880 SZNSJIYQPCHDKK-UHFFFAOYSA-N 433.512 3.096 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C)C1 95664137 NWJKSWXBZFKDKZ-HXUWFJFHSA-N 438.503 3.090 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@@H](C)NC[C@@H]1C 95688528 VMZAIKVTLMIHQJ-JKSBSHDWSA-N 440.544 3.424 0 1 IGAF CN1C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H]2O[C@H](CC(=O)O)CC[C@@H]21 95892779 HJRBVKTVNLVVPO-XKGZKEIXSA-N 439.468 3.186 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 95893768 ABQUSIFMIMPGPZ-VSKRKVRLSA-N 432.455 3.242 0 1 IGAF Cc1noc(C)c1S(=O)(=O)N1[C@@H]2CNC[C@H]1[C@H]2c1ccc(-c2cccc(F)c2)cc1 100087105 NPRVJKKKHVSGCO-AERCQKQUSA-N 427.501 3.226 0 1 IGAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@H]1CC[C@H](CO)CC1 102930811 CBFFXJDNXRRYHH-OKILXGFUSA-N 445.516 3.363 0 1 IGAF Cc1noc(C)c1Cn1cc(N2C(=O)N(CCc3ccccc3F)C(C)(C)C2=O)cn1 116676356 DMBJYNIJCJKXJM-UHFFFAOYSA-N 425.464 3.465 0 1 IGAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@@H]2COC)c2n1CCOC2)c1ccccc1 146103511 QTHOJNWKFLFDGN-UYAOXDASSA-N 425.529 3.150 0 1 IGAF O=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3cnn(CCO)c3)nc2n1 169704108 CMXSJFRYXLKZDO-UHFFFAOYSA-N 431.500 3.025 0 1 IGAF CN1C(=O)[C@@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21CCC(N(C)C)CC1 201227968 ZKMXGRISRJAUBG-FNEQHPHYSA-N 427.552 3.254 0 1 IGAF Cc1c(Cl)cccc1CNc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205048276 QNKSDYOQLQIHAJ-APSNUPSMSA-N 437.891 3.058 0 1 IGAF O=C(N1CCN(Cc2ccc3ccccc3c2)CC1)n1cc(I)cn1 299833149 OPBMZDPVUURNKM-UHFFFAOYSA-N 446.292 3.427 0 1 IGAF CN1C[C@@H]2[C@@H]3CN(C)[C@@H]4C[C@]3(C(=O)Cc3ccccc3)[C@@H]1C[C@]24C(=O)Cc1ccccc1 299846906 JRTBIRHYZSXMFW-JDAMOXFKSA-N 428.576 3.251 0 1 IGAF Oc1nc(O)c(I)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)n1 587183412 XOGQECCPCHPRSO-UHFFFAOYSA-N 440.094 3.194 0 1 IGAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CN(C(=O)OC(C)(C)C)CC[C@@H]1C(=O)OC 587474627 IXJSNGAQKTUYEC-MWTRTKDXSA-N 433.501 3.479 0 1 IGAF C[C@@]1(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587534113 WWBDSLLXIISKOB-DEOSSOPVSA-N 441.549 3.467 0 1 IGAF CCCC[C@](O)(c1cncnc1Nc1ccc(F)cc1)C1CCN(S(C)(=O)=O)CC1 1772601215 CFTMPALTDMJTEX-OAQYLSRUSA-N 436.553 3.409 0 1 IGAF C[C@]1(O)CCN(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 2356288955 NGYXNSBPTHZHBA-FIXSFTCYSA-N 442.581 3.248 0 1 IGAF COc1ccc2nc(C[C@@H]3CN(C(=O)COc4ccccc4)CC[C@H]3CC(=O)O)[nH]c2c1 2356735165 ACAMGJRYBQJFGL-DLBZAZTESA-N 437.496 3.132 0 1 IGAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1 61904160 YFCADCJJEDRYRB-RUZDIDTESA-N 448.544 3.392 0 3 IGAF CC1(C)C[C@H](NCc2ccccn2)[C@@]2(CCC(=O)N3CCOCC3)CC[C@](C)(O)C[C@@H]12 12490868 WBHAJUATCQEYOV-NBMBROAQSA-N 429.605 3.146 0 1 IGAF biogenic O=C1C(=Cc2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 13649785 WXOUFNFMPVMGFZ-NVSKSXHLSA-N 429.516 3.219 0 1 IGAF Cc1cc(C)c(S(=O)(=O)NCc2nc3c(c4c2[nH]c2ccccc24)CNC3=O)c(C)c1 14945863 HZTZNZRKWGUFJN-UHFFFAOYSA-N 434.521 3.363 0 1 IGAF CCCc1c(O)c2[nH]c(CCCCN3N=C(c4ccccc4)CCC3=O)nc2n(C)c1=O 26665714 RRRSNAPUSMURDD-UHFFFAOYSA-N 435.528 3.269 0 1 IGAF CCn1nnc(-c2ccc(OCC[C@@H](C)CCN3CCN(c4ccncc4)C3=O)cc2)n1 28474894 QHRKYRPAFCRBPM-SFHVURJKSA-N 435.532 3.492 0 1 IGAF O=C(NCCc1ccc(F)cc1)c1cc(-n2cc(-c3cc(O)ccc3O)nn2)ccc1O 53294848 GVNYAUGAUVCZLR-UHFFFAOYSA-N 434.427 3.163 0 1 IGAF COC[C@@H]1C[C@@H](C(=O)NC[C@H]2CCCO2)CN(Cc2nc(-c3ccccc3)oc2C)C1 71340613 BPCZKYSQCGYVFS-HMXCVIKNSA-N 427.545 3.030 0 1 IGAF CCCCOC(=O)COC(=O)[C@H](C)NC(=O)c1csc(-c2ccccc2OCC)n1 82070919 YQINOORTCGEDFO-AWEZNQCLSA-N 434.514 3.214 0 1 IGAF CC(C)[C@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)N[C@H]1CCCCNC1=O 82082198 RLEKYEVLSOOJGV-FPOVZHCZSA-N 448.523 3.034 0 1 IGAF CN1C(=O)N(c2cc(C(F)(F)F)ncn2)C[C@H]1C(=O)NCc1ccc(Cl)cc1Cl 95553092 SNZAQTTZNWBYGX-LBPRGKRZSA-N 448.232 3.359 0 1 IGAF O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95866253 XBPXBLFNMMBNOE-SONWIMMPSA-N 430.479 3.304 0 1 IGAF CCN(Cc1ccc(Cl)nc1)C1=C([N+](=O)[O-])CN(Cc2ccc(Cl)nc2)CN1C 103209429 WIKFERQORINXCP-UHFFFAOYSA-N 437.331 3.456 0 1 IGAF COc1ccc([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2c2nnc(C)s2)cc1OC 110824939 QHNMPJQHFQIHHW-HZPDHXFCSA-N 443.506 3.081 0 1 IGAF O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1cc(Cl)ccc1OCCN1CCOCC1 148033211 VBHZNEVYWYVZOE-UHFFFAOYSA-N 448.928 3.061 0 1 IGAF CC[C@@](C)(CNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)N1CCOCC1 165972237 SBCBKQFYWJVDEO-VWLOTQADSA-N 436.556 3.465 0 1 IGAF COCCCN1C(=O)C(=O)[C@H](C(=O)c2ccc(C)o2)[C@@H]1c1cccc(Br)c1 169690226 DYGAMMHZBMNKAE-IRXDYDNUSA-N 434.286 3.339 0 1 IGAF CN1C(N)=N[C@](C)(c2sc(-c3cc(F)cc(-c4cnco4)c3)cc2F)CS1(=O)=O 219680293 NJUKYCIWZOWFFT-SFHVURJKSA-N 438.481 3.153 0 1 IGAF COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc1ncccc1Br 299838667 NGHBCAMIBQYEBT-UHFFFAOYSA-N 429.654 3.267 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@@H]1C(=O)NC[C@H](O)CC 299876664 GCCKXHZULUTDDJ-FQQGMQMYSA-N 426.513 3.463 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)[C@H]2CC(C(=O)O)C[C@H]1CN(C(=O)c1ccccc1)C2 587399641 LQYKXIQXMBOYOV-BTYBSCOISA-N 434.492 3.164 0 1 IGAF COC(=O)[C@@H]1CC[C@]2(C[C@H]1C(=O)OC)N[C@@H](C)Cc1cc(Br)c(F)cc12 587809412 RHPKMKWXJKHLOC-ZJGWCVBLSA-N 428.298 3.080 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(S(=O)(=O)N(C)C)c2)N1 587840983 OMGKPWMIYAXECN-BBATYDOGSA-N 427.339 3.462 0 1 IGAF COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCN1CCCNCC1 653849327 ZAKPGDWGZJANCD-UHFFFAOYSA-N 441.507 3.209 0 1 IGAF CC(=O)c1ccc2c(c1)[C@H](c1[nH]ccc1C(=O)O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962631334 KJBKMULOMLZIMA-FUHWJXTLSA-N 428.441 3.251 0 1 IGAF CCOC(=O)C[C@]1(c2cc(F)c(F)cc2F)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963223523 BGIBUSXAKBYORV-NZQKXSOJSA-N 444.409 3.448 0 1 IGAF 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CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C(c3ccccc3)=NO[C@@H]2c2ccc(Cl)cc2F)C1 299875019 CIILRPTZCQSRSC-OZOXKJRCSA-N 429.879 3.308 0 1 IGAF COc1cc2nc([C@H](NS(=O)(=O)c3ccc(CNC(C)=O)cc3)C(C)C)[nH]c2cc1F 586933378 QLURUMVTVZJDRB-HXUWFJFHSA-N 448.520 3.022 0 1 IGAF CCCS(=O)(=O)N1CCC(c2nc3ccc(I)cc3[nH]2)CC1 586951965 DXHBSNJMQXMMKE-UHFFFAOYSA-N 433.315 3.087 0 1 IGAF COc1cc2c3c(c1)O[C@@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1C)[C@@H](C2)C3=O 587431702 LSUUJKDDSITKAA-ZJBJCVSYSA-N 441.528 3.237 0 1 IGAF COc1cc2c3c(c1)O[C@@]1(c4cccc(O)c4C(=O)c4c(O)cc(C(=O)O)cc41)[C@@H](C2)C3=O 587448246 BLIQMOVBSSWQMT-ODCWNRFASA-N 444.395 3.040 0 1 IGAF CS(=O)(=O)C[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587571765 PSYGQVVIHHSGIX-UGKGYDQZSA-N 428.437 3.433 0 1 IGAF CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)NCC(=O)O 653748846 VSMXUPGNQWGPLM-PMACEKPBSA-N 440.496 3.311 0 1 IGAF CCn1c2c(c(O)nc1=O)[C@H](c1ccc(C)cc1)C1=C(CN(Cc3ccccc3)C1=O)N2 1772580726 ZBRDRGVJFCJFQS-LJQANCHMSA-N 428.492 3.131 0 1 IGAF 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O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](C[C@@H]2COCCN2)(c2ccco2)N1 963179047 FOLYSOZZCLAXBS-RNRVQEDPSA-N 444.837 3.173 0 1 IGAF O=C(CCSC(=S)N1CCOCC1)Nc1cccc(NC(=O)c2ccccn2)c1 1857584996 MSASIOFNXFWJAL-UHFFFAOYSA-N 430.555 3.013 0 1 IGAF O[C@H]1CCN(c2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)C1 1857589456 RPSRAXZQELBYDR-KRWDZBQOSA-N 425.533 3.444 0 1 IGAF COC(=O)[C@H]1CC2=C(CN1Cc1ccc(C(=O)O)cc1)N(Cc1ccc(Cl)cc1)[CH]N2 2356318232 AITVFYMULJTTBZ-HXUWFJFHSA-N 440.907 3.222 0 1 IGAF COC(=O)C=CCC=CC[C@H]1[C@H](C=C[C@H](O)COc2cccc(Cl)c2)[C@@H](O)C[C@H]1O 2356331151 FNAMRDZHKYQEBA-YOESJJQFSA-N 436.932 3.059 0 1 IGAF O=C(NCc1ccc(F)c(F)c1)c1cnc(N2CCN(CCc3ccccc3)C2=O)o1 206023206 FYTFSDZMYJFQNJ-UHFFFAOYSA-N 426.423 3.368 0 3 IGAF C/C=C(\C)C(=O)N1C[C@@H](OCCCC)C[C@@H]1C(=O)NCCc1cc(OC)ccc1OC 4547489 UKQSCPKUROXMDL-ULDYEVIBSA-N 432.561 3.115 0 1 IGAF O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C1 8589693 TXHFCLOWZBWNMU-OAHLLOKOSA-N 445.928 3.221 0 1 IGAF 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O=C1CCc2c(cccc2N2CCN(C[C@@H](O)CNc3cccc4ccccc34)CC2)N1 1857614014 CCDVUKVLZFHARU-FQEVSTJZSA-N 430.552 3.320 0 1 IGAF Cn1cc(CN2CCC[C@@H]2c2nc(C3=CN[C](N4CCOCC4)C=C3)no2)c2ccccc21 2356819367 JUWMABKNOTYTGC-JOCHJYFZSA-N 445.547 3.220 0 1 IGAF OCCOCCn1c([C@@H](CO)Nc2nc(-c3ccc(F)cc3)cs2)nc2ccccc21 12507244 KROQHVPUNMTZDH-GOSISDBHSA-N 442.516 3.453 0 3 IGAF CCCSc1ccc([C@@H]2[C@@H]3C(=O)N(CC)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1 36382322 CQOJNXOOUWTHEA-ZQAYVECASA-N 430.570 3.262 0 3 IGAF CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)NS(=O)(=O)Cc2ccccc2)cc1 61926658 LOQIVOGZZKMSSG-DEOSSOPVSA-N 442.581 3.164 0 3 IGAF O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1Cc1cccs1 95605648 NKEVIUINSXOZHY-HXUWFJFHSA-N 431.477 3.240 0 3 IGAF COc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCCN2CCCC2=O)c(OC)c1 2485145 DKCIFHYUMPWRCO-UHFFFAOYSA-N 429.517 3.399 0 1 IGAF COc1ccc(OC)c(-n2nnc(-c3nsc(NC(=O)c4cccs4)n3)c2C)c1 9638550 NIGDWQKFCIEWGX-UHFFFAOYSA-N 428.499 3.425 0 1 IGAF O=C(N[C@@H]1CN(CC2CCCCC2)CCC[C@H]1O)c1ccc(OCCN2CCCC2)cc1 12480559 OVHRZLONEBAXMQ-JWQCQUIFSA-N 443.632 3.297 0 1 IGAF biogenic O=C(CCCCCNCCc1ccc(O)c2[nH]c(=O)sc12)NCCc1ccccc1 13524211 SJBDTLMACAEIBX-UHFFFAOYSA-N 427.570 3.347 0 1 IGAF OCc1cc[n+](Cc2ccc(CCc3ccc(C[n+]4ccc(CO)cc4)cc3)cc2)cc1 13837767 VKFHWTITHYBCOA-UHFFFAOYSA-N 426.560 3.128 0 1 IGAF CCOC(=O)[C@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1CC(=O)c1ccccc1 26655330 XNBZPUTXDSDWAO-KRWDZBQOSA-N 443.308 3.182 0 1 IGAF CCCCn1c(=O)[nH]c2nc(-c3cnn(Cc4cccc(C(F)(F)F)c4)c3)[nH]c2c1=O 29037290 WHFPIHBGEYJNRV-UHFFFAOYSA-N 432.406 3.144 0 1 IGAF O=C(O)[C@]1(NS(=O)(=O)c2ccc(-n3cc(Cl)cn3)s2)C[C@@H]1C1CCCCC1 49112707 RFDQVDRDXJWAMK-DYVFJYSZSA-N 429.951 3.289 0 1 IGAF Nc1nccc(-c2ccc3nc([C@@H]4COc5c(CC(=O)NC6CC6)cccc5C4)[nH]c3c2)n1 49113084 QESAMTXGZKKXSR-KRWDZBQOSA-N 440.507 3.142 0 1 IGAF CCc1cc(S(=O)(=O)N2C[C@H](c3ccccc3)NC2=O)ccc1NC(=O)NC(C)C 73165215 QSUSNXLKJBXCEA-LJQANCHMSA-N 430.530 3.234 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccncc1 95893379 MEFQVJONHPYETN-FSSWDIPSSA-N 432.455 3.242 0 1 IGAF COc1ccc2c3c1O[C@@H]1[C@H]4NC(C(=O)OCC(C)C)=C(C)[C@H]4C[C@@H]4[C@H](C2)N(C)CC[C@]341 100788045 LCIWAGQFSNMYED-UHHCRFMUSA-N 438.568 3.035 0 1 IGAF CO[C@@H](C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1 199590516 WBKWIGZIJLEGEF-OAQYLSRUSA-N 436.493 3.204 0 1 IGAF N#Cc1cc(-c2nc(Nc3ccc(CN4CCOCC4)nc3)ncc2F)cnc1NC1CC1 221190136 HZOSCAUALWVLEZ-UHFFFAOYSA-N 446.490 3.094 0 1 IGAF COC1(CN(C)C)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1 222746057 IBVWYYCFTLKCAL-UHFFFAOYSA-N 438.580 3.401 0 1 IGAF O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](CO)c1ccc(Cl)cc1 223541409 UMCRTOONIKKCKZ-FQEVSTJZSA-N 426.904 3.131 0 1 IGAF CC(=O)O[C@@H]1C[C@@]2(C)C(=C[C@H]1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 255285328 YUMMGXLKDXXRGS-HNSUAQOOSA-N 430.541 3.066 0 1 IGAF C[C@H](CNC(=O)c1ccc2ccccc2c1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 299836200 MVYHZKGGHALTTJ-HXUWFJFHSA-N 442.563 3.387 0 1 IGAF C[C@H](CCn1oc(=O)[nH]c1=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 299847839 GYIFKHHUMQDLGP-PBPRVDRLSA-N 448.604 3.146 0 1 IGAF COC(=O)c1ncn(-c2c(-c3ccc(F)cc3)[nH]c3c(C(=O)O)cccc23)c1C(=O)OC 587638331 OFMLCYGTPYJRSQ-UHFFFAOYSA-N 437.383 3.431 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS(=O)(=O)N(C)c3ccccc32)N1 587844615 ONCSNTYQSWIDNH-VOJFVSQTSA-N 425.323 3.146 0 1 IGAF CCS(=O)(=O)N1CCC[C@H](C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)C1 587863940 UAFLSRHPGSTLND-ZDUSSCGKSA-N 445.463 3.279 0 1 IGAF CC[C@H](c1nnnn1Cc1cccs1)N1CCN(c2nc3cc(N)ccc3s2)CC1 653807579 UGLNHDPIRXIGBW-QGZVFWFLSA-N 440.602 3.248 0 1 IGAF CN1CCN(c2cccc([C@H]3c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)c2)CC1 962661412 HXOJDOLMNIQYBG-JYFHCDHNSA-N 430.552 3.175 0 1 IGAF CCc1ccc2c(N)c(C(=O)NCCc3cc(F)c(N4CCNCC4)cc3F)sc2n1 1857586207 ZNKANZYKTBVWJZ-UHFFFAOYSA-N 445.539 3.101 0 1 IGAF Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@H]3CCNC3)[nH]c3ccc(Cl)cc23)c1 1857608397 LCDMCSOTUWCGIZ-HNNXBMFYSA-N 431.945 3.363 0 1 IGAF CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@H]2[C@H](OC(=O)C(C)=CC)C=C(C)[C@@H]2[C@@H]2OC(=O)C(C)=C21 2356405820 FORCJYCNRCOGKD-MXMDREHGSA-N 444.524 3.331 0 1 IGAF O=C(NC[C@@H]1CCCO1)[C@H](c1cccnc1)N(C(=O)Cc1cccs1)c1cccnc1 8672791 AZDIDEVIEGEAEJ-UGKGYDQZSA-N 436.537 3.150 0 3 IGAF CN1CCN(C(=O)C2=C[C@H](C3CCCCC3)C[C@H](OCc3ccc(CO)cc3)O2)CC1 13656888 ZSMKKCQOPNRRTC-LADGPHEKSA-N 428.573 3.296 0 3 IGAF CN(C)c1ccc(C2=NO[C@@H](c3ccc(Cl)cc3F)[C@H]2C(=O)N2CCOCC2)cc1 769722 DKRYWSUQNDTGRV-FPOVZHCZSA-N 431.895 3.496 0 1 IGAF CCO[C@H](Cc1ccc(OCCN2C(=O)COc3ccsc32)c(Cl)c1)C(=O)O 12358231 IQHOWBZNTURRPJ-MRXNPFEDSA-N 425.890 3.238 0 1 IGAF CCCC[C@H](NC(=O)OCC1(CC)COC1)C(=O)C(=O)Nc1cc(-c2ccccc2)[nH]n1 13583778 FFMSYJSOUSGUGH-KRWDZBQOSA-N 442.516 3.296 0 1 IGAF O=C(O)C[C@H](NC(=O)c1ccc(Cl)cc1NC(=O)OCc1ccccc1)C(=O)CF 28825315 LKYDZLNBQNYAIT-INIZCTEOSA-N 436.823 3.200 0 1 IGAF CCOC(=O)Cn1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c(C(C)=O)c1=O 29207179 LIWLAQUHOZBLAX-UHFFFAOYSA-N 436.464 3.360 0 1 IGAF O=C1CC[C@](c2ccncc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1 40957715 HGHBFHADCALABU-QFIPXVFZSA-N 442.357 3.431 0 1 IGAF CCCCOCCOC(=O)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(C)C 82082530 LOHOKYPHBOMDNJ-IBGZPJMESA-N 432.473 3.185 0 1 IGAF O=S(=O)(c1ccc(Br)cc1)c1nc2ccccc2nc1N1CCC[C@@H](O)C1 84586678 JZZJKKHCTJBOAT-CQSZACIVSA-N 448.342 3.186 0 1 IGAF O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 95677106 CMUIIZXJLAYAHO-SLFFLAALSA-N 437.968 3.457 0 1 IGAF COc1ccc2c(c1)cc(C(=O)NS(=O)(=O)c1ccc3ccccc3c1)n2CC(=O)O 98208137 VASHUENQUNBZFK-UHFFFAOYSA-N 438.461 3.006 0 1 IGAF in-vitro COCCOc1cc(S(=O)(=O)c2ccccc2)cc2c3c(n(C)c12)C[C@@H]1CC[C@@H]3N1 100633427 ZNMNVYFOHQUMMT-KXBFYZLASA-N 426.538 3.386 0 1 IGAF N[C@H]1CCc2ccc(OCCNS(=O)(=O)C3CC3)cc2[C@@H]1Cc1ccccc1Cl 143303594 OVOTWUXYGISXHK-UNMCSNQZSA-N 434.989 3.400 0 1 IGAF CO[C@@]12C=C[C@]3([C@@H]4[C@H](O)C(C)(C)C[C@@H]41)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 169692706 BANTYRLFVMBWRP-OPPUUAEHSA-N 449.591 3.410 0 1 IGAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)C(=O)O[C@@]2(OC(C)=O)C[C@H]2CC[C@H](OC(C)=O)[C@H](C)[C@@]12C 238775469 JCLSIIMGJPBTMP-PTRFSMIYSA-N 448.512 3.385 0 1 IGAF CCOc1ccccc1C1=NO[C@H](c2ccccc2OCC)[C@H]1C(=O)NC[C@H](O)CC 299876666 GCCKXHZULUTDDJ-XORNHQRDSA-N 426.513 3.463 0 1 IGAF COc1cc2c3c(c1)O[C@]1(CCN(C(=O)OC(C)(C)C)C[C@H]1COC(C)=O)[C@@H](C2)C3=O 587435539 GFTKRNZLBQESJE-YGJVYZRNSA-N 431.485 3.002 0 1 IGAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C(=O)NCCC(=O)O)Oc3ccccc31)CC2=O 587472185 YOFJOVPUYDTSKE-XMMPIXPASA-N 437.448 3.073 0 1 IGAF CN1CCN(Cc2ccc(NC(=O)c3n[nH]cc3Nc3ncnc4ccccc34)cc2)CC1 1772610790 WSRSUSKJBOADHJ-UHFFFAOYSA-N 442.527 3.096 0 1 IGAF CCCSc1nc(Cl)c2c(n1)N(Cc1ccccc1)[C@H](C(=O)N1CCOCC1)N2 1857745071 IKNSIFRGZMKLDC-GOSISDBHSA-N 433.965 3.249 0 1 IGAF CC=CC=CC[C@@H]1C[C@H](O)[C@@H]2[C@@H]3C(C)=C[C@@H]4C=C[C@H](O)[C@H](O)[C@H]4C(C)=CC=C[C@@H]3C(=O)N21 2356694760 HFNMIOGEGCXSJX-AOQLXKNISA-N 437.580 3.072 0 1 IGAF O=C(N[C@@H]1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)[C@@H]2C1)c1cccc(F)c1 2356835620 KTMUVWOYNOWZBL-XLIONFOSSA-N 433.439 3.441 0 1 IGAF O=C(Cc1ccc[n+]([O-])c1)N1CCN([C@@H]2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 13778925 OHUFIHMDXGKUEF-RUZDIDTESA-N 446.938 3.329 0 1 IGAF CCCCc1ccc(NC(=O)[C@@H](C)NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 16042749 CRLWGIISOHDGLT-RLLQIKCJSA-N 436.556 3.347 0 1 IGAF biogenic CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@@H](O)[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@@H]2C1 26987221 BRPTXGUNXVNFHJ-KCYBFLPASA-N 432.557 3.146 0 1 IGAF Nc1nccc(-c2ccc3nc([C@@H]4COc5ccc(C(=O)NC6CC6)cc5C4)[nH]c3c2)n1 40860508 VILQJQQODSKEFD-INIZCTEOSA-N 426.480 3.213 0 1 IGAF CCc1nnc2c(C(=O)N(CC)CC)c(N(CC)C(=O)c3cccnc3)c3cccnc3n12 40956423 IFOUTNFOZHCRNR-UHFFFAOYSA-N 445.527 3.384 0 1 IGAF O=C1NC(=O)C(n2ccc3ncccc32)=C1c1cn(CCCn2ccnc2)c2ccccc12 43017212 KFTIJAFAVAYLNK-UHFFFAOYSA-N 436.475 3.303 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@@H]3C[C@H]2CN3c2ncc3cc(F)ccc3n2)c1 49071992 ZSZAGDVIYLYNLE-MOPGFXCFSA-N 443.486 3.151 0 1 IGAF N[C@@H](CC(=O)NC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1Cc2ccccc2C1 72105565 OCFIETKRCBAPLO-QFIPXVFZSA-N 435.474 3.430 0 1 IGAF COc1ccc(CN2CC[C@H](N3CCC(C(=O)c4ccc(OC)cc4)CC3)[C@@H](O)C2)cc1 72181042 RYVPAHAXNZYRGX-DQEYMECFSA-N 438.568 3.234 0 1 IGAF CN(CC(N)=O)Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)ns1 84618688 UVJOYSDOOBVOBF-UHFFFAOYSA-N 433.965 3.157 0 1 IGAF CC(=O)Nc1cc(-c2c(Nc3ccn(C)n3)nc3ccc(-c4cnco4)cn23)nc(C)n1 95553321 XSGOPXVWIFLLDO-UHFFFAOYSA-N 429.444 3.190 0 1 IGAF COc1cccc(C(=O)N2C[C@@H]3[C@H](c4ccccc42)[C@H](CO)N3C(=O)c2cccc(F)c2)c1 95893358 ZLKHGMAGHUAVMQ-SGNDLWITSA-N 446.478 3.464 0 1 IGAF CCn1cc(-c2nnc(Cc3ccccc3)o2)c(=O)c2cc(F)c(N3CCNCC3)cc21 98084526 UPMNATRSHZHYEP-UHFFFAOYSA-N 433.487 3.211 0 1 IGAF O=C(N[C@H](CO)c1ccccc1)c1ccc2nc(N[C@H]3CC[C@H](O)CC3)c3nccn3c2c1 101694793 KLRKVNKANBJQPN-SVFBPWRDSA-N 445.523 3.061 0 1 IGAF CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3[nH]nc(CCC(=O)OC)c3c2)ncn1 166785357 LOWPVODAFFRMQI-UHFFFAOYSA-N 436.516 3.337 0 1 IGAF CC(C)(CN)CNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 168431400 LSSDEBPAOIZKEJ-XMTFNYHQSA-N 446.389 3.317 0 1 IGAF CCOc1ccc(-n2nnc3nc(Nc4ccn(CCCC5CCNCC5)n4)ncc32)cc1 169341695 NDPRRSMLHQJIAR-UHFFFAOYSA-N 447.547 3.329 0 1 IGAF COc1ccccc1[C@H]1[C@@H](S(C)(=O)=O)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1 169696291 SUDGVLGETKIDTK-RBBKRZOGSA-N 439.489 3.334 0 1 IGAF COCCOc1ncccc1[C@@H]1[C@@H](C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1 169696353 VVUKDICEGXZZHS-RBUKOAKNSA-N 442.537 3.327 0 1 IGAF CN(C)C(=O)c1ccc(F)c(F)c1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1 169701934 AQAZIPYKMRRUDG-UHFFFAOYSA-N 439.426 3.120 0 1 IGAF O=C(NCc1ccc(Cl)cc1Cl)N1C[C@H]2CN(S(=O)(=O)c3ccccc3)[C@H]2C1 205435015 SNDOPLDGRCNUQN-KSSFIOAISA-N 440.352 3.208 0 1 IGAF COc1cc2oc(-c3ccc(OC(=O)N4CCOCC4)cc3)cc(=O)c2c(O)c1OC 299872069 ZVKAJYVPPHSLND-UHFFFAOYSA-N 427.409 3.014 0 1 IGAF NC(=O)c1ccc(C(=O)c2c[nH]c3ncc(-c4cnn(C5CCNCC5)c4)cc23)c(Cl)c1 473091962 ZRLGRLKEULDQNW-UHFFFAOYSA-N 448.914 3.334 0 1 IGAF CS(=O)(=O)C[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587360127 LSKULYOJAMRCGZ-IRLDBZIGSA-N 427.453 3.225 0 1 IGAF Cc1cc(C)c(OCCN[C@H](C)Cc2cc3c(c(C(N)=O)c2)N(CCCO)CC3)c(C)c1 653833218 GEJDAWYRSPAFCX-HXUWFJFHSA-N 439.600 3.055 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2cn(C)c3ccccc23)NCCc2cc3cccc(OC)c3nc21 963033903 KOVALGNSRODKIY-SANMLTNESA-N 443.503 3.257 0 1 IGAF CCOC(=O)COc1c(Br)cc([C@H]2NCCc3ccc(O)cc32)cc1OC 963353085 POWGKGNFMYAISR-LJQANCHMSA-N 436.302 3.340 0 1 IGAF CCOc1ncc(-c2ccc3nccc(=O)n3c2)cc1NS(=O)(=O)c1ccccc1F 1857775329 HHNZEQVMLDTIIH-UHFFFAOYSA-N 440.456 3.095 0 1 IGAF CC(C)=C[C@@H]1O[C@](C)(CC=C2OC(=O)C=C2C)[C@@H]2C(=O)[C@]3(O)[C@H](C)CC[C@@H]3[C@H](C)[C@@]12O 2356413877 BJVHHRYNUDCZAB-QWRHQMAXSA-N 430.541 3.231 0 1 IGAF OC[C@@H]1[C@H](O)C[C@@H](NCc2ccc(F)c(F)c2)[C@@H]1Cc1ccnc(-c2ccccc2F)n1 2356416691 BYFWZYIZSOUBFE-AAUAJYIVSA-N 443.469 3.251 0 1 IGAF C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@@]1(C)[C@@H](C3)[C@]2(C)CC[C@@H](O)C(C)(C)[C@H]2C[C@H]1O 2356720367 YMGGKEHLQJSJSU-MVXRJEBFSA-N 430.541 3.371 0 1 IGAF CCOCc1c(O)cc(C)c2c1Oc1cc3c(c(C)c1OC2=O)[C@H](O)[C@H](O)C(C)(C)O3 2356818085 DQJAXLHZBPXXOO-RXVVDRJESA-N 430.453 3.436 0 1 IGAF CN(CCc1ccccn1)CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)O 12480790 FZMHNUAEAOFRAI-HKUYNNGSSA-N 444.963 3.248 0 1 IGAF biogenic Cn1c(SCc2ccc(F)cc2)nc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc21 20489554 IVRAQCBVRGHQIK-UHFFFAOYSA-N 426.517 3.342 0 1 IGAF CCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@@H]2C1=O 28524441 UPFVFWZGNRKYFG-IYMZPUBESA-N 446.496 3.390 0 1 IGAF COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2COC(=O)[C@H]2C)cc(OC)c1O 35933997 VGMOUMWYTMZSAT-PGICJIBASA-N 432.469 3.376 0 1 IGAF biogenic CN(C)c1ccc(C(=O)OC[C@]2(CO)C/C(=C/c3ccc4ccccc4n3)C(=O)O2)cc1 40896394 QKLKBJXBLVSOJG-XDCGKPNXSA-N 432.476 3.219 0 1 IGAF CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(C(C)(C)C)cc2)N(C(=O)c2cnccn2)C1 82198913 CWUVTDXSEVYVLA-RBBKRZOGSA-N 438.572 3.490 0 1 IGAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C5=CC(=O)OC5)C(=O)C[C@]4(O)[C@@H]3CC[C@@H]2C1 84739717 JIOXQMJNOROPDA-CKQNLCNISA-N 430.541 3.354 0 1 IGAF CCC(=O)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4cccc(C(=O)N(C)C)c4)cc3)[C@@H]2C1 100120427 QXERRVTTWGDQIQ-KYPHJKQUSA-N 449.595 3.217 0 1 IGAF COc1ccc(Cc2nc(C)nn2-c2cc([C@@H]3C[C@@H]3c3nc(C)no3)nc(C)n2)cc1OC 143001069 RPQIDRXPWDJNTJ-SJORKVTESA-N 447.499 3.245 0 1 IGAF COCC1(OC)CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)CC1 222746503 XPOBVOKPEMRIMI-UHFFFAOYSA-N 425.537 3.486 0 1 IGAF C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 299874977 CGMJBHMMSCBMOG-ORPRQENYSA-N 430.892 3.406 0 1 IGAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(Br)ncc2[nH]1 587120729 DSGJNLKIAKEEED-UHFFFAOYSA-N 441.211 3.144 0 1 IGAF C[C@@H]1C[C@]2(C[C@H](C(=O)O)[C@H]1C(=O)O)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587348006 BXFLYTQSVMZNBI-WNSZOTIOSA-N 428.412 3.461 0 1 IGAF CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587437975 MMIGCNMFWHVUHE-CKNGIIGNSA-N 431.485 3.002 0 1 IGAF C[C@H]1CN(CCC(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)C[C@H](C)O1 587656235 HRHLPZGLKAEPBQ-GJZGRUSLSA-N 427.451 3.481 0 1 IGAF CCOC(=O)C1(C(=O)OCC)CC2(C1)N[C@H](C)Cc1cc(Br)c(F)cc12 587797645 MQXGQFZXXXMETI-LLVKDONJSA-N 428.298 3.224 0 1 IGAF CN1CCN(Cc2ccnc(NC(=O)Nc3cccc4c3[C@H]3CCCCN3C4=O)c2)CC1 653733707 MWMTZLUYNDSKJP-HXUWFJFHSA-N 434.544 3.154 0 1 IGAF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCN3C(=O)CC[C@H]3C2)N1C(=O)c1ccccc1 963412600 DYDOGRUJYQXFMP-CWVVSJDFSA-N 443.503 3.300 0 1 IGAF O=C(NCCCCCCCn1cc(-c2cccnc2)nn1)c1ccccc1-n1ccnn1 1857559149 RKIUCEIIPSZOJO-UHFFFAOYSA-N 430.516 3.301 0 1 IGAF O=C(c1cnc2ccc(F)cc2c1N1CCC2(CC1)CC2)N1CCN(C(=O)C2CC2)CC1 1857758074 ZASQGHBAOUULCL-UHFFFAOYSA-N 436.531 3.449 0 1 IGAF COc1ccccc1NC(=O)NC[C@@H]1O[C@@H](Cc2cc(-c3ccccn3)on2)CC[C@H]1O 2356727248 KXGQYUBUZYWYHV-PERKRYKHSA-N 438.484 3.018 0 1 IGAF O=C1C2=c3[nH]c4cc(Br)ccc4c3=CCN2c2cc(Br)ccc21 2356869222 XJOSYBLYPOGNSZ-UHFFFAOYSA-N 430.099 3.298 0 1 IGAF Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)OCc4ccc5ccccc5c4O3)O2)c(=O)[nH]c1=O 3596708 ZHKOLIRMRROCEX-YSZKKOMBSA-N 442.364 3.186 0 1 IGAF CCCc1nc([C@H](C)O)c(C(=O)O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13745663 XHOWFCWWVKXYFG-AWEZNQCLSA-N 432.484 3.483 0 1 IGAF COc1ccc([C@@H]2N[C@@](CC(C)C)(C(=O)O)[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)cc1 20138377 WXLDDNHCXBQERH-CMCWBKRRSA-N 440.471 3.154 0 1 IGAF CCCCNC(=O)N1CCc2c(sc(N)c2C(=O)c2cc(OC)c(OC)c(OC)c2)C1 40953390 XFPQJDHOPZYFCC-UHFFFAOYSA-N 447.557 3.455 0 1 IGAF OCc1cc([C@H](O)CNCCc2ccc(NC[C@@H](O)c3ccc(F)cc3)cc2)ccc1O 73224096 PQJGOUGXSMWICU-JWQCQUIFSA-N 440.515 3.035 0 1 IGAF CN(C)C(=O)c1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)C2CC2)[C@H](CO)N3C)cc1 95877401 UPHFDVAFUAXKMK-FGCOXFRFSA-N 433.552 3.166 0 1 IGAF CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@](C)(CCC3=CC(=O)OC3)[C@@H]1CCC[C@]21CO1 146534581 RNYBNBANBCQZON-FRHWVWFUSA-N 434.529 3.346 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N(C)CC4CC4)c3F)C2)cc1 261148921 OLYJCJJPPNKNST-MGPUTAFESA-N 427.524 3.317 0 1 IGAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CCCN1S(C)(=O)=O 587867109 VQKSSJOXOBWXLE-OAHLLOKOSA-N 431.436 3.032 0 1 IGAF O=C1[C@@H]2Cc3nc[nH]c3[C@H]([C@H](c3ccccc3)c3ccc(F)cc3)N2C(=O)[C@@H]2CCCN12 963214536 KCEJYTUBMJCYFN-QXUYBEEESA-N 430.483 3.180 0 1 IGAF C[C@@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2ccccc2Cl)C1 1772609747 GPBMPUSXPRCNFT-ZDUSSCGKSA-N 429.908 3.361 0 1 IGAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccc3)[C@H](O)[C@@H]2[C@H]1C 2356462228 KBNYXLDRYGCDAI-VJKSXPNMSA-N 429.605 3.450 0 1 IGAF COc1cc(C(=O)[C@@H](C)Oc2c(OC)cc(C=CCO)cc2OC)cc(OC)c1OC 2356469566 SECJGGUDGJJKDQ-CQSZACIVSA-N 432.469 3.385 0 1 IGAF CCN(CC)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccnc3)C2)c(C)c1 6577060 COCWVBMGQOWMSR-GOSISDBHSA-N 430.574 3.276 0 3 IGAF aggregator CCOC(=O)[C@H]1[C@H]2COc3ccc(Cl)cc3[C@@H]2N2C(=O)c3ccccc3NC(=O)[C@@]12C 36387236 KMSLCBPCQKVNRL-JYISGYRJSA-N 440.883 3.436 0 3 IGAF CC[C@H](N[C@@H](CC(C)C)C(=O)N[C@@H]1CCCCCCCCCCNC1=O)P(=O)(O)O 3785378 JANOCMLVAXHACE-CEXWTWQISA-N 447.557 3.030 0 1 IGAF O=c1oc2cc(O)ccc2c(O)c1C(c1cccnc1)c1c(O)c2ccc(O)cc2oc1=O 5580952 FXBQFSDQNSBOAW-UHFFFAOYSA-N 445.383 3.297 0 1 IGAF NCCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1coc(-c2ccc3ccccc3c2)n1 82080935 KVXRQDNLCZWDTM-OAQYLSRUSA-N 429.476 3.338 0 1 IGAF C/C=C/c1ccc([C@@H]2[C@H]3CN(S(=O)(=O)c4ccc(F)cc4)CCCCN3[C@H]2CO)cc1 95874778 PKTKXGGQIIBWIG-PUYAWMFVSA-N 444.572 3.472 0 1 IGAF NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3cccc(Br)c3)CC1)C2 117358873 QPPJBNCZSPEBMT-UHFFFAOYSA-N 428.330 3.168 0 1 IGAF CC[C@](C)(CNC(=O)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1)N1CCOCC1 165972357 SBCBKQFYWJVDEO-RUZDIDTESA-N 436.556 3.465 0 1 IGAF O=C(C[C@@H]1CNC(=O)c2cc(-c3cccc(C(F)(F)F)c3)cn21)NCC1CCOCC1 169332449 GUZJUXQQGHIDBV-GOSISDBHSA-N 435.446 3.391 0 1 IGAF O=c1nc[nH]c2c1ncn2C[C@H]1C[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1 205390930 HNVXRTDYLRHZJA-BHIFYINESA-N 446.507 3.079 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ncc(Oc2ccc(F)cc2)cn1 221662662 WRLFEODZWQFNLL-OGHNNQOOSA-N 440.435 3.077 0 1 IGAF COC(=O)C(=C\c1ccc(O)c(OC)c1)/C(=C/c1ccc(OC)c(OC)c1)C(=O)OC 238760652 XVIUKPWCFVZFME-APGQMXJTSA-N 428.437 3.231 0 1 IGAF COC(=O)c1ccc2nc(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)[nH]c2n1 586954711 IAADRWJSXDDSHD-UHFFFAOYSA-N 442.541 3.436 0 1 IGAF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587197999 CZLLLPZYZBDWBL-UHFFFAOYSA-N 449.536 3.339 0 1 IGAF O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2ncc[nH]c-2n1)OCc1ccccc1 587203766 TWZXXZHJCYFOQE-SFHVURJKSA-N 431.452 3.406 0 1 IGAF COc1ccc([C@@]2(C(O)O)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587354103 TZUUYYMLJSCGIX-ZJSXRUAMSA-N 440.423 3.114 0 1 IGAF CCOc1ccc(-c2nn(C(=O)Cn3ccccc3=O)c(=O)c3ccccc23)cc1OCC 587671167 YPHPZDICHSOGFW-UHFFFAOYSA-N 445.475 3.363 0 1 IGAF Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@H]1C[C@@H](NCC(F)F)C1 1772585579 YRKZFOAKGJGXCI-BETUJISGSA-N 426.471 3.017 0 1 IGAF COc1ccc(C(=O)[C@H](C(=O)O)[C@H](SCCN)c2ccc(OC)c(OC)c2)c(OC)c1 1772644345 LRVPTXGFQYAIDG-PZJWPPBQSA-N 449.525 3.038 0 1 IGAF COC(=O)c1ccc(N2CC3(CCN(C(=O)c4cc(C)c5n[nH]cc5c4)CC3)CC2=O)cc1 1857767648 OLKFBJUEBSFXGA-UHFFFAOYSA-N 446.507 3.317 0 1 IGAF O=C(NC[C@@H]1OC[C@@H](N(Cc2cccs2)Cc2cccs2)[C@@H]1O)c1ccccc1 2356302745 XHEICOJWJNPMHY-HKBOAZHASA-N 428.579 3.370 0 1 IGAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)CCN1C(=O)CCC1CCCC1 61927660 GBIWXWFIGOSKKX-LJQANCHMSA-N 446.491 3.472 0 3 IGAF OC[C@@H]1O[C@@H](n2cnc3c(Cl)nc(Nc4ccc(Cl)c(Cl)c4)nc32)C[C@H]1O 1648699 HEEANCXZTNZIAU-GRYCIOLGSA-N 430.679 3.171 0 1 IGAF COc1cc(C(=O)OCCc2scnc2C(=O)Nc2nccs2)cc(OC)c1OC 28464808 PPNOXAUXXVUMON-UHFFFAOYSA-N 449.510 3.277 0 1 IGAF CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CO)c1ccccc1)C1CCNCC1 40919182 VZBXWCRSKIZNLD-XMMPIXPASA-N 427.495 3.355 0 1 IGAF C[C@@H]1NCCn2cc(-c3c(F)cc4c(c3OC(F)F)N(C3CC3)C[C@@H](C(=O)O)C4=O)cc21 45298597 WYONJDRKEQVPHY-IINYFYTJSA-N 449.429 3.426 0 1 IGAF CC(=O)N1CCN(C(=O)c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)CC1 82140699 MASUSEPAQDGDHL-CALCHBBNSA-N 439.535 3.069 0 1 IGAF CN(C)C(=O)[C@H]1Cc2ccccc2N1C(=O)CCN1CCN(C2CCCCCCC2)CC1 84726353 DXAIDZQYIDEULO-XMMPIXPASA-N 440.632 3.153 0 1 IGAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@H](C)c3ccccc3)[C@H]2N1CC1CC1 95880228 HWDXJZFTBKIHHT-XWRHXCSSSA-N 447.579 3.132 0 1 IGAF CCOC(=O)CNC(=O)[C@@H]1[C@@H](c2ccc(Cl)nc2)[C@@H]2CC[C@@H]1N2Cc1ccccc1 100009514 LFOIYLDRFZIQIX-GPHNJDIKSA-N 427.932 3.161 0 1 IGAF C[C@H](O)c1ccccc1N1C(=O)COc2cc(S(=O)(=O)Nc3nccs3)ccc21 220312541 WVTYZEWQQOVFRK-LBPRGKRZSA-N 431.495 3.054 0 1 IGAF COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ncnc(OCC4CC4)c3F)C2)cc1 261174391 UMZYTPFHRCFECV-KSSFIOAISA-N 430.480 3.479 0 1 IGAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 586947433 YICMYAVLOALLOJ-ZDUSSCGKSA-N 426.420 3.101 0 1 IGAF O=C(CCc1nc2cc(Br)ncc2[nH]1)Nc1nnc(-c2ccncc2)s1 587023450 BFUICEOBTXDYKM-UHFFFAOYSA-N 430.291 3.205 0 1 IGAF NCCOCCOCCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587246552 SCHIDODQSTZZOA-UHFFFAOYSA-N 436.434 3.368 0 1 IGAF O=C(Cc1cc(O)nc(S)n1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658950 WVLVJOVTYQUUDP-UHFFFAOYSA-N 426.404 3.009 0 1 IGAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1c(Br)c(C)nn1C 587867375 XNYGZBCRJMUEPD-UHFFFAOYSA-N 444.211 3.465 0 1 IGAF O=C(NCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)c1cc(Cl)ccc1O 1857773730 FVOOMPPOUVBOIW-UHFFFAOYSA-N 444.940 3.497 0 1 IGAF C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)CC(C)(C)C)[C@H](C)[C@H]2[C@H]1O 2356311399 MYJZSEKGGHIYKO-ARTZUXCXSA-N 436.637 3.226 0 1 IGAF COc1cc(OC)c(C(C)=O)c(O)c1CCOCCc1c(O)cc(OC)c(C(C)=O)c1O 2356323420 KKODPTWUZSWKJF-UHFFFAOYSA-N 448.468 3.036 0 1 IGAF CC(=O)OC[C@]1(O)CC[C@@]23C[C@H]1C[C@@H]2CC[C@@H]1[C@]2(C)COC(C)(C)O[C@@H]2C[C@@H](O)[C@]13C 2356326688 ZMLHWLZKCQDODU-WXTCYHGTSA-N 436.589 3.426 0 1 IGAF CC(C)=C[C@@H]1O[C@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@]3(O)[C@H](C)CC[C@@H]3[C@H](C)[C@]12O 2356406341 UFFWLVBPDWIHBR-ZRJZTDPRSA-N 432.557 3.105 0 1 IGAF CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 61895477 SXLNPCJWPGBPLW-HXUWFJFHSA-N 440.993 3.246 0 3 IGAF CC1(C)C[C@H](N(C[C@H]2CCCO2)C(=O)COc2ccccc2)c2cc(C(N)=O)ccc2O1 758507 MLTJPOSRIJIDRJ-CTNGQTDRSA-N 438.524 3.474 0 1 IGAF CCc1ccc([C@@H]2CN3C(=O)CN(CCCO)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1 2131951 RJCLXWHRZQOTIH-RXFWQSSRSA-N 431.536 3.144 0 1 IGAF biogenic COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N(C)C[C@@H]1COc2ccccc2O1 9269296 PHNKEOPYCGUQPU-QGZVFWFLSA-N 444.509 3.428 0 1 IGAF CCO[C@@H](Cc1ccc(OCCN2C(=O)COc3ccsc32)c(Cl)c1)C(=O)O 12358230 IQHOWBZNTURRPJ-INIZCTEOSA-N 425.890 3.238 0 1 IGAF CCc1nc(N)nc(N)c1-c1ccc(NCc2cc(F)c(S(C)(=O)=O)c(F)c2)cc1 13685938 YFGOCVGEMQNGLD-UHFFFAOYSA-N 433.484 3.164 0 1 IGAF O=C(Nc1cc(Br)ccc1N1CCNCC1)c1cc2ccccc2oc1=O 14962065 AYWFSFQSZQWRBS-UHFFFAOYSA-N 428.286 3.217 0 1 IGAF O[C@H](CNCc1ccccc1OCCN1CCOCC1)c1cc(Br)cs1 14966873 LNYWDHPWDZWQMF-QGZVFWFLSA-N 441.391 3.045 0 1 IGAF COC(=O)[C@@H]1CCCN1C(=O)CC[C@]1(Cc2ccc(-c3ccccc3)cc2)CCC(=O)N1 14992691 SNTSYOZTWWAFGG-NVQXNPDNSA-N 434.536 3.489 0 1 IGAF CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(CCCOC)CC(=O)N12 16032585 NEGUXDOKWLTZRU-BWKNWUBXSA-N 447.535 3.288 0 1 IGAF biogenic CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3C(=O)C[C@H]2C1 16919882 TXXOLQKCLTZALX-JKWQEUBOSA-N 446.540 3.211 0 1 IGAF biogenic COc1ccc([C@@]23C(=O)c4ccccc4N2O[C@H]2C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1 17195348 XTUDEHARSIPFDI-BPYKYCOYSA-N 426.428 3.097 0 1 IGAF Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)c1C 59545795 OCYYOYSOTPJCFP-YLZCUGDYSA-N 446.573 3.172 0 1 IGAF COC[C@H]1C[C@@H](C(=O)NC[C@H]2CCCO2)CN(Cc2nc(-c3ccccc3)oc2C)C1 71341357 BPCZKYSQCGYVFS-CEWLAPEOSA-N 427.545 3.030 0 1 IGAF C[C@H](NC(=O)c1cnc(-c2ccccn2)nc1)c1cccc(-c2noc(C(C)(C)O)n2)c1 72315457 VLOHLIHCEHKFOL-AWEZNQCLSA-N 430.468 3.307 0 1 IGAF CCCCOCCOC(=O)[C@H](COCc1ccccc1)NC(=O)c1csc(CC)n1 82074664 SNMCMFREOJEXEV-SFHVURJKSA-N 434.558 3.381 0 1 IGAF CCN(Cc1cccc(C)c1)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccco1 82142499 XVYSKYAKQLFHOQ-IBGZPJMESA-N 447.539 3.409 0 1 IGAF Cc1ccccc1-n1c(Cn2nc(C(=O)O)c3c(N)ncnc32)cc2cccc(C)c2c1=O 88345914 JSCRMDCFJURRJF-UHFFFAOYSA-N 440.463 3.076 0 1 IGAF Cc1cnc(NC(=O)c2cc(Oc3ccc(S(C)(=O)=O)cc3)c3cn(C)nc3c2)cn1 95559593 CEMHBKRKARYDIJ-UHFFFAOYSA-N 437.481 3.120 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@H](C)NC[C@H]1C 95661456 BCNSWJISNLDVIF-JLHGSKIFSA-N 425.529 3.033 0 1 IGAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O[C@H]1CN(C)C 95855742 CUCZIJHOBJDKMN-YVHKJVDXSA-N 440.544 3.112 0 1 IGAF O=S(=O)(NCCc1ccccc1)c1ccc(-n2cc(COc3ccccc3)nn2)cc1 96933870 SNNXFDZQWUQKPJ-UHFFFAOYSA-N 434.521 3.367 0 1 IGAF O=C1COc2ccc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)cc2N1 143869334 FGNVSMVXBSTFCT-GOSISDBHSA-N 434.452 3.200 0 1 IGAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](O)C[C@@H](O)[C@@H]1SC[C@@H](O)COc1cccc(Cl)c1 169293020 KFUDFIMHDRJVLV-SWIZKLKBSA-N 444.977 3.124 0 1 IGAF in-man CC[C@@H](O[C@@H](CO)Cc1cc(OC)c(O)c(OC)c1)[C@@H](OC)c1ccc(O)c(OC)c1 169347494 RYIRLFCMHRNKFU-UQNRQAKVSA-N 436.501 3.210 0 1 IGAF CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3nsnc3c2)CC1 205402766 UQBANPAGHKSGTE-UHFFFAOYSA-N 444.582 3.141 0 1 IGAF COc1ccc(C#N)cc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 220247471 XJCDBKILRVMUNF-UHFFFAOYSA-N 428.495 3.355 0 1 IGAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(OC)cc1OC 299883825 SAUAEKCMUGQNDC-NAYXZEDJSA-N 426.513 3.319 0 1 IGAF CC(C)C[C@H](N[P@](=O)(O)CNC(=O)OCc1ccccc1)C(=O)NC[C@@H](C)C(C)C 584905067 JBYBUNCIQMPTHL-MJGOQNOKSA-N 441.509 3.468 0 1 IGAF in-vitro CCCS(=O)(=O)N1CCC(c2nc3cc(C(=O)OC)cc(Br)c3[nH]2)CC1 586953689 XUQBAFKHLCQPJW-UHFFFAOYSA-N 444.351 3.031 0 1 IGAF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4c(O)nc(O)nc4[nH]3)nc2n1 587115459 VIDYKNBDFPRVBY-UHFFFAOYSA-N 425.396 3.230 0 1 IGAF CN(C)S(=O)(=O)c1cccc2nc(-c3cc(I)ccc3F)[nH]c12 587183188 VGZKOLJAVLFNEF-UHFFFAOYSA-N 445.257 3.224 0 1 IGAF CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@H]2CN1C(=O)OC)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 587443940 NEVUKSQXIJXPSV-BSCPNFEDSA-N 443.496 3.002 0 1 IGAF CC(C)CN1C(=O)NC(=O)[C@H](N(Cc2nc3cc(Cl)ccc3s2)CC(C)C)[C@H]1N 618015607 NIIZZZFOXJCNHW-MSOLQXFVSA-N 437.997 3.269 0 1 IGAF COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCN1CCOCC1 653844312 NRGSUVYFUYOHAT-UHFFFAOYSA-N 428.464 3.246 0 1 IGAF COC(=O)C1=C[C@@]2(c3cc(OC)ccc3O1)c1c(ccc(OC)c1OC)C[C@H](C)N2C 962625575 JHBXUVUKLRRXGC-LFPIHBKWSA-N 425.481 3.282 0 1 IGAF COc1cc(OC)c([C@H]2N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c32)c(OC)c1 962646073 WCYBMYQZVDGALU-XIKOKIGWSA-N 427.375 3.299 0 1 IGAF COC(=O)[C@]1(CC(=O)c2ccncc2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962951173 GEMKVAYKYCIHIJ-JOCHJYFZSA-N 448.441 3.393 0 1 IGAF O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4cccc(N5CCC5)n4)nc3n2)C1)N1CCCC1 1772613338 SDUSGQSCAZMADP-QGZVFWFLSA-N 431.544 3.069 0 1 IGAF CC1(C)COC(c2cccc(I)c2I)=N1 2356871094 XXGBTWBCSQCNMH-UHFFFAOYSA-N 427.023 3.451 0 1 IGAF O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCc2ccccc2C1 6577014 KWTPGCSHKDEJDY-UHFFFAOYSA-N 435.568 3.076 0 3 IGAF COc1ccc(CN(C)C(=O)Cn2cnc3c(OCc4ccccc4)ncnc32)cc1OC 61947306 JWHWVXNHKGAQAH-UHFFFAOYSA-N 447.495 3.081 0 3 IGAF Cn1nc(C(=O)NCCCN2CCN(c3ccccc3)CC2)c2c1-c1ccsc1CC2 9687644 QYUIOPULNFGSAG-UHFFFAOYSA-N 435.597 3.189 0 1 IGAF CC[n+]1ccccc1CN(C(C)=O)C(=O)OC[C@@H]1CO[C@@H](OCCCc2ccccc2)C1 13450289 IWLPXXNSGMQAFX-LADGPHEKSA-N 441.548 3.491 0 1 IGAF COCC[C@H](C[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)O)C(=O)O 13741335 SVOCYLFAFQGFHR-NHCUHLMSSA-N 427.497 3.231 0 1 IGAF CS(=O)(=O)Nc1cc([C@H](O)CN[C@H](Cc2ccccc2)c2ccsc2)ccc1O 26815760 XWSXEKBJKIHRDY-WIYYLYMNSA-N 432.567 3.432 0 1 IGAF COc1cc(C2(c3cc(OC)c(N)cc3OC)C(=O)Nc3ccccc32)c(OC)cc1N 49784785 NWFSNVMGPWTVOZ-UHFFFAOYSA-N 435.480 3.172 0 1 IGAF CN(Cc1cccnc1)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc12 53230633 ITMNONAOENDKLR-UHFFFAOYSA-N 436.522 3.203 0 1 IGAF CN1CCc2nc(C(=O)Nc3ccccc3CNC(=O)c3ccc(Cl)cn3)sc2C1 66066086 KVRLJVLRGCJUNO-UHFFFAOYSA-N 441.944 3.362 0 1 IGAF CN1CCN(c2cccc3c2C(=O)CCN3S(=O)(=O)c2ccc3ccccc3c2)CC1 66259028 TZMHJAWORUSIEG-UHFFFAOYSA-N 435.549 3.373 0 1 IGAF CC[C@H](O[C@H](CO)Cc1cc(OC)c(O)c(OC)c1)[C@@H](OC)c1ccc(O)c(OC)c1 71296929 RYIRLFCMHRNKFU-CEXJFXJFSA-N 436.501 3.210 0 1 IGAF biogenic Nc1cc(Cn2c(C(=O)O)c(-c3ccc[nH]c3=O)c3c(Br)cccc32)ccn1 84604391 MQFRKUBYYOCFTQ-UHFFFAOYSA-N 439.269 3.483 0 1 IGAF Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)cc1NC(=O)c1ccnn1C 96916330 NPDQZXLVCOBLAS-UHFFFAOYSA-N 431.456 3.164 0 1 IGAF Nc1ccc(S(=O)(=O)NCc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)cc1 98082523 FZIGIJKXZSAYKL-UHFFFAOYSA-N 440.912 3.100 0 1 IGAF COc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 143961789 PGJSYZRUDFHSSL-GBLZOACLSA-N 433.468 3.210 0 1 IGAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cncc(OC)c2[nH]1 586956900 YXSPPIPCSPCEKP-UHFFFAOYSA-N 436.493 3.394 0 1 IGAF CCOC(=O)c1cc(Br)c2[nH]c(CC[C@@H](N)C(=O)OC(C)(C)C)nc2c1 587256668 LZNNCNYRVPSYCY-GFCCVEGCSA-N 426.311 3.104 0 1 IGAF CCOc1ccc(-c2nn(C(=O)c3nn(CC)cc3N)c(=O)c3ccccc23)cc1OCC 587668966 GRSYWOVAALSTMP-UHFFFAOYSA-N 447.495 3.348 0 1 IGAF COC(=O)[C@@H](C)[C@]1(c2cccc(Br)c2)NCCc2ccc(C(=O)N(C)C)cc21 962919391 ATHGRMGQVMGTDG-JLCFBVMHSA-N 445.357 3.349 0 1 IGAF COc1ccc2c(c1OC)[C@](C)(c1c[nH]c(C(=O)O)c1)N(C(=O)c1ccccc1N)CC2 963160082 VOIGQWZBWWHXRN-DEOSSOPVSA-N 435.480 3.274 0 1 IGAF COC(=O)Nc1n[nH]c2cc(NC(=O)N[C@@H](c3ccc(F)cc3)C3(O)CCC3)ncc12 1772617473 XMPGMODZBDLIJO-INIZCTEOSA-N 428.424 3.053 0 1 IGAF CNC(=O)C(=O)NCCCCc1ccccc1CCCCCCCCCP(=O)(O)O 1857567762 KMARKBREIHZMAJ-UHFFFAOYSA-N 440.521 3.322 0 1 IGAF FC(F)c1ccnc(-c2nc(=N[C@@H]3CCC(F)(F)C3)[nH]c(=N[C@@H]3CCC(F)(F)C3)[nH]2)n1 1857764836 QHLSBPRKCLATLW-NXEZZACHSA-N 447.387 3.309 0 1 IGAF CCCCNC(=O)[C@H]1c2ccccc2OCC(=O)N1CCc1ccc(OC)c(OC)c1 199207940 LCPUKOYHZJNLRG-HSZRJFAPSA-N 426.513 3.125 0 3 IGAF COC1=C(OC)[C@]23COc4c5c(cc(c42)[C@H](OC(C)=O)[C@H](C)[C@@H](C)CC3=CC1=O)OCO5 13433050 NYEXLGIZLUIIRN-NVMVGVGBSA-N 442.464 3.339 0 1 IGAF biogenic CC(C)(C)CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)COc2ccccc2)c1=O 25208361 LKNMHNSZXFLYJN-MSOLQXFVSA-N 437.540 3.248 0 1 IGAF biogenic COC(=O)c1ccc(C[C@H](C)NC[C@H](O)c2cccc(I)c2)cc1 45229495 SIBBJKDLPOEAMV-UGSOOPFHSA-N 439.293 3.332 0 1 IGAF CS(=O)(=O)c1cc(Cl)ccc1CNC(=O)c1ccc(OCCC(F)(F)F)nc1 45334414 DFSLYOVSKBEQAQ-UHFFFAOYSA-N 436.839 3.400 0 1 IGAF CCCC[C@H](CC)CNC(=O)[C@@H]1C[C@@H](O)CN1c1nc(-c2cc(O)cc(O)c2)cs1 82195049 MFAHEPANQJGDMT-QMIHWGKISA-N 433.574 3.494 0 1 IGAF COc1c(O)c(Cc2cnc[cH-]2)c2[o+]c(-c3ccc(O)cc3)[cH-]c(=O)c2c1OCCCO 103533355 JIVDLHBOKOCLSP-UHFFFAOYSA-N 436.440 3.346 0 1 IGAF biogenic,in-vitro COc1cc(OC)nc(N2C[C@H]3CN(C(=O)c4ccccc4-c4cccs4)C[C@@H]3C2)n1 116825630 BHCSNOBCPPLBRX-HZPDHXFCSA-N 436.537 3.431 0 1 IGAF Cc1ncc(Cl)nc1C(=O)Nc1ccc(F)c([C@]2(C(F)F)N=C(N)O[C@H]3C[C@H]32)c1 220649573 LIXCQAUUIZRMQI-MYFIVHGGSA-N 425.798 3.024 0 1 IGAF Cc1nn(C2CN(C)C2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 261165798 RWLWADJBUXMBKV-HXUWFJFHSA-N 437.931 3.088 0 1 IGAF Nc1c([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)ccnc1Br 962710865 RTUJYFZCIQHZPP-WCQYABFASA-N 434.187 3.273 0 1 IGAF C[C@@]1(Nc2cnc(C(F)(F)F)cn2)CCC[C@@H]1NC(=O)c1ccccc1-n1nccn1 1772617568 HMHQKDBOHKCIIS-HNAYVOBHSA-N 431.422 3.229 0 1 IGAF O=C1CC[C@@H](NC(=O)c2ccc3cc(Oc4ccc(C(F)(F)F)cn4)ccc3n2)CN1 1772624248 CXVWONDPWYGFPN-CQSZACIVSA-N 430.386 3.449 0 1 IGAF CC(=O)N1CCc2c(C(=O)N3CCC(c4ccc(F)cc4C(F)(F)F)CC3)n[nH]c2C1 1772633752 XTUGNIIYTUUSNG-UHFFFAOYSA-N 438.425 3.492 0 1 IGAF Oc1nc(N2CCOCC2)nc(N[C@@H]2CCCNC2)c1-c1nc2cc(Cl)ccc2s1 1772636914 KMQXNEXKIIKHMQ-CYBMUJFWSA-N 446.964 3.113 0 1 IGAF O=S(=O)(c1ccc2c(c1)c(Nc1ccc(F)cc1)nn2C1CC1)N1CCC(O)CC1 1911585379 HROMLNXBYIBUDA-UHFFFAOYSA-N 430.505 3.399 0 1 IGAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C[C@@H](O)[C@H]3[C@@H](C)C(=CC(=O)N(C)CCO)CC[C@H]32)C1(C)C 2356505040 OYEDMBPKXCONKF-ZMCZQBLTSA-N 435.605 3.165 0 1 IGAF CC(=O)O[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C4=CC(=O)OC4)CC[C@@]32O)C[C@H]1O 2356699260 LSZYEBCGEREENJ-GUUSQTCASA-N 432.557 3.146 0 1 IGAF COc1ccc(NC(=O)COc2cccc3c2CCN(Cc2cccnc2)C3=O)c(OC)c1 9393145 PNGPZICLCQNWOH-UHFFFAOYSA-N 447.491 3.315 0 3 IGAF CN1CCN(C(=O)C2=C[C@H](c3csc4ccccc34)C[C@H](OCCCCO)O2)CC1 13634900 WBDAOHPJAXLIHH-HTAPYJJXSA-N 430.570 3.178 0 3 IGAF C[C@]1(C(=O)NS(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)C/C=C/c1ccccc1 61907514 XCRSFSYYOYPNON-AEVNEEFTSA-N 432.929 3.239 0 3 IGAF Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H]2C(=O)NCc2ccccc2)cc1C 198623306 DNVUZDSNOJAQNI-DHIUTWEWSA-N 433.552 3.215 0 3 IGAF C[C@]1(C(=O)NCc2ccccc2)CSCC(=O)N1C1CCN(Cc2ccccc2)CC1 199230840 OYFSJSYIRWDBEU-RUZDIDTESA-N 437.609 3.302 0 3 IGAF CO[C@@H]1/C=C/C=C(\C)Cc2cc(O)cc(c2)NC(=O)C[C@H](O)/C(C)=C/[C@H](C)[C@@H](O)CC1=O 4102389 YGIOUPVSUFMGBC-DTHPZREMSA-N 443.540 3.058 0 1 IGAF in-vitro CC(=O)Nc1ccc(NC(=O)C2CCC(N3C(=O)[C@@H]4[C@H](C3=O)[C@@H]3C=C[C@H]4[C@@H]4C[C@H]34)CC2)cc1 13713769 DWUJVSJNWCYYGP-HMGFKXPVSA-N 447.535 3.195 0 1 IGAF O=C1CC[C@@](CCC(=O)N2CCN(C3CCCC3)C(=O)C2)(Cc2ccc3ccccc3c2)N1 14882070 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COc1cc2c(cc1OC)C(=O)N([C@H]1CCCN(CCCOc3ccc(O)cc3)C1)CC2 13558949 NXFMRYWPEDWXSN-IBGZPJMESA-N 440.540 3.341 0 1 IGAF CC(C)C[C@H](NC(=O)OCc1ccccc1)[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O 25110216 OGPNNUIBMRADRA-HZPDHXFCSA-N 429.406 3.121 0 1 IGAF CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)CC[C@@H]1CC(=O)Nc1cccc(O)c1 25432857 BFODQKICPLHSFZ-IAGOWNOFSA-N 432.542 3.466 0 1 IGAF biogenic COc1cccc(CC(=O)N[C@H]2N=C(c3ccccc3F)c3ccccc3N(C)C2=O)c1 26375704 OROBBIIDFVAOPI-DEOSSOPVSA-N 431.467 3.333 0 1 IGAF COC(=O)c1ccc(C(=O)N2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1 36330612 ZCIPBCBYSLHGOA-UHFFFAOYSA-N 439.556 3.346 0 1 IGAF O=C(C(=O)N1CCN(C(=O)c2ccccc2Br)CC1)c1c[nH]c2ccccc12 45244915 YSQKSYSTYSBCPS-UHFFFAOYSA-N 440.297 3.098 0 1 IGAF CN1CCN(c2ccc3c(c2)C(=O)CCN3S(=O)(=O)c2ccc3ccccc3c2)CC1 66258812 PGHNHVHDAUYQLJ-UHFFFAOYSA-N 435.549 3.373 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)CC1 82140776 RTMOZTSOPBAHLA-IAGOWNOFSA-N 439.535 3.069 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3ccccc3)cc2OC[C@H](C)NC[C@@H]1C 95680014 XIYJWSRTRLXHAA-PNLZDCPESA-N 425.529 3.033 0 1 IGAF CCCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)CC)[C@@H](C)CO2 95686837 CGCJCZBVFKVEDJ-WWMYMODYSA-N 447.576 3.168 0 1 IGAF O=C(C1CCOCC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(Cc1cccc(Cl)c1)C2 95796711 HVJISOPRJIIBMM-XZOQPEGZSA-N 440.971 3.308 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)NCC31CCN(C(=O)c2cccc(F)c2)CC1 95865128 IEQPVKMPJUEQKV-HXUWFJFHSA-N 437.515 3.137 0 1 IGAF COc1cccc(-n2c(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)nc3nnc(C)c-3c2N)c1 103623331 PIOLWFFBMPHLLE-OKILXGFUSA-N 440.573 3.263 0 1 IGAF NC1=N[C@@](c2cc(NC(=O)c3cc(Br)co3)ccc2F)(C(F)F)COC1 113657558 IQZCFTCUADKAEQ-INIZCTEOSA-N 432.196 3.281 0 1 IGAF COc1ccc(CCN2C(=O)N(c3cnn(Cc4c(C)noc4C)c3)C(=O)C2(C)C)cc1 115731077 QUGNGDFRBONTSV-UHFFFAOYSA-N 437.500 3.335 0 1 IGAF Cc1cc(CCC(C)(C)O)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)n1 299857225 DXXJEYYXOKYVIX-ZWKOTPCHSA-N 426.565 3.013 0 1 IGAF Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@@H]1C(=O)Oc2ccccc2C1=O 587563322 RFOLULBEUFHBMS-OALUTQOASA-N 427.416 3.294 0 1 IGAF Cn1ncc(I)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567969 GHQMFRJIKYCUMP-RDTXWAMCSA-N 448.216 3.433 0 1 IGAF CC(C)(C)OC(=O)N1CCOC[C@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587586277 IHGQXRJUVLFXKM-UQASEVPWSA-N 427.453 3.358 0 1 IGAF C/C(=C/[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21)NNC(N)=S 587704236 IBNYLGDZXNWNKN-IJOUGQKWSA-N 441.292 3.122 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 587838309 BLLJSRYAEPWDCZ-JUPFADAESA-N 445.398 3.433 0 1 IGAF CN1CCC(CNc2c(Cl)cnc3[nH]c(-c4cccc(S(C)(=O)=O)c4)nc23)CC1 653783579 AFGFVYNCYAUORQ-UHFFFAOYSA-N 433.965 3.436 0 1 IGAF CN1C=C(OCc2cccc(Cl)c2)[C@]2(C=C1C(=O)O)NCCc1c(C(=O)O)cccc12 963132697 RWHZHLCLOMHADG-HSZRJFAPSA-N 440.883 3.351 0 1 IGAF Cc1c(O)ccc2c1[C@](C)(c1cc3cc(Br)ccc3oc1=O)N[C@H](C(=O)O)C2 963521831 CLTRYDMCXIXAKU-BTYIYWSLSA-N 444.281 3.432 0 1 IGAF O=C1NC(=O)[C@@H](Cc2nnc(C(=O)c3nc4ccc(-c5ccccc5)cc4s3)o2)S1 1772655497 FKAYPXXLPJOXOL-CQSZACIVSA-N 436.474 3.471 0 1 IGAF CCCc1noc(C2=C(C)CS[C@@H]3[C@H](NC(=O)CCc4ccc(C)cc4)C(=O)N23)n1 1857539512 ITENLFWQIGFYJL-XMSQKQJNSA-N 426.542 3.094 0 1 IGAF CCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(=O)oc2cc(C)ccc12 1857630478 HPOPBACDTIJMHK-LJQANCHMSA-N 445.427 3.466 0 1 IGAF CC1=C[C@H](CNCCN2CCNC2=O)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 2356302384 UFHFWGAUUJLIDP-HBMCJLEFSA-N 438.576 3.144 0 1 IGAF CC(C)c1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccc(OC(F)(F)F)cc2)n1 2356318313 FJHNAXSEXKQXDU-NMLBUPMWSA-N 439.478 3.189 0 1 IGAF CC(=O)N[C@H](C(=O)N(C)[C@H](CC(C)C)C(=O)NC=Cc1c[nH]c2ccccc12)C(C)C 2356629545 IODNETMCEHQSGF-YADHBBJMSA-N 426.561 3.289 0 1 IGAF CC1=C[C@H](CN2CCN(CCO)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 2356640306 WVKUKLQBSBBKHV-YTFSRNRJSA-N 439.604 3.139 0 1 IGAF Cn1cc(CN2CCC[C@H]2c2nc(C3=CN[C](N4CCOCC4)C=C3)no2)c2ccccc21 2356819368 JUWMABKNOTYTGC-QFIPXVFZSA-N 445.547 3.220 0 1 IGAF O=C(Nc1nnc([C@H]2C[C@H](O)[C@@H](CO)O2)s1)Nc1ccccc1Oc1ccccc1 61906471 KUUZYQQTVRAZFH-USXIJHARSA-N 428.470 3.158 0 3 IGAF O=C(CCc1nc2ncccc2c(=O)n1Cc1ccc(F)cc1)N1CCc2ccccc2C1 9407577 DFSPPUFJAZHXQU-UHFFFAOYSA-N 442.494 3.496 0 1 IGAF NC1CCC(CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](c2ccccc2)c2ccncc2)CC1 13766218 UDXDAUOTKAPZMJ-NXZXNMDISA-N 434.584 3.228 0 1 IGAF COC(=O)/C=C(/OC)[C@H](C)[C@H](/C=C/c1csc([C@@H]2CSC([C@]3(C)CO3)=N2)n1)OC 39013500 ZJXYLBWVBXQTFS-OXURDLCLSA-N 438.571 3.486 0 1 IGAF CCN(CC)C(=O)c1c(N2CCN(C)CC2)c2cccnc2n2c(-c3ccccc3)nnc12 40393682 VURZPZFEVRSNLG-UHFFFAOYSA-N 443.555 3.178 0 1 IGAF CCCOc1ccc(CN/C=C2\C(=O)NC(=O)c3ccc(Br)cc32)cc1O 40937481 LCERHMDUMFVWTG-WJDWOHSUSA-N 431.286 3.344 0 1 IGAF COc1cc2nc(N3CC[C@H](NC(C)=O)C3)nc(NCc3cccs3)c2cc1OC 82125312 VKNMPYJTTVLPPC-AWEZNQCLSA-N 427.530 3.035 0 1 IGAF CCOCCN(CCOCC)C(=O)c1cnc(N2CCCC2)nc1-c1ccc(F)cc1 82139899 RTKZBMUQCPVISO-UHFFFAOYSA-N 430.524 3.398 0 1 IGAF CNC(=O)c1cnc(NC(=O)[C@H](CC2CCCC2)c2ccc(S(C)(=O)=O)cc2)s1 95557534 ULDSCFMLAOPXCX-MRXNPFEDSA-N 435.571 3.209 0 1 IGAF Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)ccc2F)n(C)n1 95602102 QYVDIKNXRIDAGA-UHFFFAOYSA-N 449.446 3.303 0 1 IGAF COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Nc4ccccc4F)ccc3O[C@H]2[C@H](CO)O1 95900483 YVFPRJXGACQPOR-UZSHKEKKSA-N 430.432 3.027 0 1 IGAF O=C1[C@H]2[C@H](C(=O)N1Cc1ccccc1)N(Cc1ccccc1)C(=O)N2Cc1ccccc1 102978888 BYXCBEDSXXQRPB-DHIUTWEWSA-N 425.488 3.431 0 1 IGAF NS(=O)(=O)c1ccc(Nc2nc(Cl)nc(Nc3ccc(F)c(Cl)c3)n2)cc1 103269447 KUYCBWOAHOSSKY-UHFFFAOYSA-N 429.264 3.452 0 1 IGAF COc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(C(=O)N5CCN(C)CC5)ccc4c3c2)c1 113204054 GBXATFDIRDSUJB-UHFFFAOYSA-N 442.519 3.483 0 1 IGAF COC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1[C@@]21N=C(N)N(C[C@H]2CCO2)C1=O 201231954 BOGVCEHXIZOGEN-MYUJALSNSA-N 437.584 3.302 0 1 IGAF Cc1nn(-c2cncn2C)c2c1[C@@H](c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O 220321916 JSJHNZMAOMLIME-HXUWFJFHSA-N 448.914 3.325 0 1 IGAF N#Cc1cccc(-c2c[nH]c3ncnc(N4CCO[C@H](Cc5noc(C(F)F)n5)C4)c23)c1 224888972 MACFGBHDXKXMCB-CQSZACIVSA-N 437.410 3.265 0 1 IGAF COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)O[C@]1(C[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H](C)CO1)[C@@]21CO1 238765614 FTFBXBYKTCZEQG-HDGSKUEBSA-N 442.508 3.121 0 1 IGAF Nc1cc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2cc1N 587107970 OASLQFTYMYYQEB-OAHLLOKOSA-N 425.436 3.272 0 1 IGAF Oc1nc(S)nc2[nH]c(CCc3nnc(-c4cc(F)ccc4Br)o3)nc12 587157415 LEISXWZSBQTUJX-UHFFFAOYSA-N 437.254 3.084 0 1 IGAF COC(=O)C(=O)C[C@]1(c2ccccc2OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587599233 DHSSFFDJDXTNDE-PXDATVDWSA-N 448.427 3.390 0 1 IGAF C[C@H](C[C@]1(c2cccc(CO)c2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12)C(=O)O 962659283 DZEQUYTVWVSNIF-RENKICTCSA-N 448.519 3.180 0 1 IGAF Cc1cc(-c2nc3cnc(O[C@H]4CCOC4)cc3n2[C@@H](C)c2ccccn2)cn(C)c1=O 1772605955 JNFUINPRLOXQRI-WMZOPIPTSA-N 431.496 3.277 0 1 IGAF CC(C)NC(=O)N1CCC[C@H](O)[C@H](NC(=O)c2ccc(OCc3ccc(F)cc3)cc2)C1 2356806668 AHMXZGGNVRTFHF-YADHBBJMSA-N 443.519 3.078 0 1 IGAF Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1Cl 2929224 CEIJHYFEIASGMY-LJQANCHMSA-N 447.944 3.325 0 3 IGAF aggregator CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCC(C)(C)CO 769742 RKLFOPXHYWNILM-GMAHTHKFSA-N 439.556 3.378 0 1 IGAF CCCCOCCCNC(=O)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1ccco1 4533562 SEQVJKBHDLBJIR-NHCUHLMSSA-N 428.529 3.403 0 1 IGAF COCCNC(=O)CC[C@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@@H]2NC(=O)Cc1ccccc1 20464631 CYMQZBQXMYYPFX-KCXKOMAXSA-N 444.616 3.224 0 1 IGAF biogenic COc1cc2c(cc1OC)C(c1ccccc1)=N[C@H](NC(=O)c1ccccc1OC)C(=O)N2 34662034 QSOFWUGUATYHBX-HSZRJFAPSA-N 445.475 3.258 0 1 IGAF OC[C@H](O)CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC3CCOCC3)c2)[nH]1 40861809 HQVRTEVEFWPWCH-SFHVURJKSA-N 444.532 3.314 0 1 IGAF CC(C)[C@H](NC(=O)[C@@H](C)NC(C)(C)c1ccccc1)C(=O)N(C)c1cccc(C(=O)O)c1 49037388 QXCWXCUYCDTBBS-UTKZUKDTSA-N 439.556 3.402 0 1 IGAF COc1nc2c(cc1NCc1cccc(F)c1)c(=O)c(C(=O)O)cn2[C@H](CO)C(C)C 66112092 YDGTZLVSWWOVLP-GOSISDBHSA-N 429.448 3.044 0 1 IGAF O=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(C(=O)c3ccc(F)cc3)C[C@@H]2O)CC1 72180808 AFUYLLPRKMAJEJ-VXKWHMMOSA-N 428.479 3.135 0 1 IGAF CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)OC[C@H]2CCCN2C)cs1 82073633 QKSKZYPOBLYQFF-VQIMIIECSA-N 443.569 3.451 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccc(F)cc3)n2)CC1 82140771 RTMOZTSOPBAHLA-CALCHBBNSA-N 439.535 3.069 0 1 IGAF CC(=O)NCCn1c(-c2cccc(OC(F)(F)F)c2)nc2c(NCC3CC3)ncnc21 82179829 ABOITONQXKSWFZ-UHFFFAOYSA-N 434.422 3.350 0 1 IGAF O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(C(=O)O)c2ccccc12 95593830 BIICSDGTLAHWES-UHFFFAOYSA-N 433.464 3.342 0 1 IGAF CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O 95679795 COVYADPIWOIZBH-JLHGSKIFSA-N 431.577 3.251 0 1 IGAF COc1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)C5CCCCC5)C[C@@H]34)cc2)c1 95866308 JYZIRKKXAOIGHT-KYPHJKQUSA-N 448.563 3.440 0 1 IGAF O=P(O)(O)C(Nc1ccc(Oc2ccc(Br)cc2)cc1)P(=O)(O)O 96286201 ZSBBJNVNCGRSOS-UHFFFAOYSA-N 438.107 3.292 0 1 IGAF Cc1cccc2cc(Cn3nc(-c4cn[nH]c4)c4c(N)ncnc43)n(-c3ccccc3)c(=O)c12 145961719 HLNQSJIESOMOAR-UHFFFAOYSA-N 448.490 3.459 0 1 IGAF c1ccc([C@H](CN2CCC(N3CCCCC3)CC2)N2CCN(C[C@H]3CCCO3)CC2)cc1 198333687 VLQWBBAISJOUST-SXOMAYOGSA-N 440.676 3.475 0 1 IGAF CC(C)Oc1ccc(Nc2nc(=O)n(CCCO)c(=O)n2Cc2ccc(Cl)cc2)cc1 200519556 XMOQRFWNARHCLH-UHFFFAOYSA-N 444.919 3.020 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)O)n1)c1cc(F)c(Br)cc1F 221676309 NPDKKAHJQMWLIK-UINNMSKDSA-N 443.248 3.396 0 1 IGAF CCCCCCC1=NO[C@H](c2ccc(OC)cc2OC)[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 299877776 HWIQHEBIQPUVAD-NLSFWIRASA-N 445.560 3.455 0 1 IGAF COc1ccccc1N1CCN(C[C@@H](O)CCn2cc(-c3ccc4[nH]ccc4c3)nn2)CC1 473105267 RGBNGNXRVODGQZ-NRFANRHFSA-N 446.555 3.008 0 1 IGAF Nc1nc(Cl)c2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2n1 587006712 NWGMPBHFPJGOMB-UHFFFAOYSA-N 431.681 3.228 0 1 IGAF COc1cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144472 ZNGTUCHMSZHNIQ-UHFFFAOYSA-N 441.440 3.390 0 1 IGAF COC(=O)[C@@H]1C[C@]2(CCN1C(=O)OCc1ccccc1)CC(=O)c1cc(C)cc(N)c1O2 587394697 ZBDOCGKPMLRODO-YADARESESA-N 438.480 3.255 0 1 IGAF NS(=O)(=O)c1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1Cl 587609920 WKWDKJDRNAVOBV-YLJYHZDGSA-N 431.853 3.396 0 1 IGAF C[C@@H]1[C@@H](c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C1(F)F 653751535 LFUAMWIFIWKNLA-HFJLCZBOSA-N 425.386 3.068 0 1 IGAF COc1cc([C@@]2(C[C@H](C)CC(=O)O)NCCc3c2c(C(C)C)nn3C)cc(OC)c1OC 962921303 SLFSSEHMWWSJMM-OYLFLEFRSA-N 445.560 3.460 0 1 IGAF C[C@]1(c2ccc(F)cc2)N=C(c2nccs2)NC(CN2CCOCC2)=C1c1ncco1 1857576269 GSQXSKADQPDDCH-JOCHJYFZSA-N 439.516 3.279 0 1 IGAF Nc1cc2c3c(c1)C(c1ccccc1)=N[C@@H](NC(=O)c1cc4ccccc4cn1)C(=O)N3CC2 3827877 NMHVGUIPQDKNJJ-VWLOTQADSA-N 447.498 3.313 0 1 IGAF CCCN(C[C@H]1CCCO1)C1CCN(c2ccc(C(=O)N3CCN(CC)CC3)cc2)CC1 14989902 PAWIMAWGBFYVJT-RUZDIDTESA-N 442.648 3.324 0 1 IGAF NC[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H]1c1ccco1 38560275 LASMISRBDAATFV-BXUZGUMPSA-N 429.423 3.085 0 1 IGAF Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NCCCCCCN)cc1 40973644 PSIGIQLADFBHGY-QHCPKHFHSA-N 443.613 3.309 0 1 IGAF Nc1ncc(-c2ccc(C(=O)NC[C@@H]3CCCN3)cc2)nc1Oc1ccc2cc[nH]c2c1 45289044 JJJZVISMHBIATR-SFHVURJKSA-N 428.496 3.481 0 1 IGAF COc1cccc(CN(Cc2ccc(C(=O)O)cc2)S(=O)(=O)c2ccc(O)cc2)c1 59084764 LMGGVTVXSSGCMW-UHFFFAOYSA-N 427.478 3.490 0 1 IGAF CC(C)NC[C@H](C(=O)N1CCN(c2ncnc3c2[C@H](C)OC3)CC1)c1ccc(Cl)cc1 66258867 CAICXYBBTBZAKS-LPHOPBHVSA-N 443.979 3.152 0 1 IGAF COc1cc2nc(N(C)Cc3ccccc3)nc(N[C@@H]3CCCCNC3=O)c2cc1OC 82137747 GTJHKIRTWYGPSH-GOSISDBHSA-N 435.528 3.364 0 1 IGAF O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(NC[C@H]2CCCO2)nc1C1CCCC1 101585255 IHUQFLXGIKCLLM-DOQRCUEWSA-N 440.588 3.395 0 1 IGAF O=C(NCCCCc1ccccc1)Nc1ccc2ncc(-c3cnn(CCCO)c3)nc2n1 169704088 FDHGWFCXSXEKNU-UHFFFAOYSA-N 445.527 3.415 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CC[C@H](F)C4)ncc3F)C2)cc1 261126383 KGSKHKYWIVHBRC-UCLAIMLFSA-N 431.487 3.019 0 1 IGAF CC(C)[C@](C)(O)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 586890554 QPSIBTRWWYFGDH-SANMLTNESA-N 449.599 3.469 0 1 IGAF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(CCO)cc2[nH]1 586935027 FYOASEOYTBUWOL-GOSISDBHSA-N 433.599 3.487 0 1 IGAF COc1cc2nc(-c3ccccc3NS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2cn1 586950029 MWLMUGDWCGWSJY-UHFFFAOYSA-N 438.465 3.206 0 1 IGAF N=c1[nH]cc2nc(CC34C[C@@H]5C[C@H](C3)CC(n3ncc(Cl)c(Cl)c3=O)(C5)C4)nc-2[nH]1 587088775 REUSXRPKKWSOBF-UJWIECITSA-N 446.342 3.119 0 1 IGAF CN1CCN(c2ccc3nc(Cn4nnc(-c5ccc(C(F)(F)F)cc5)n4)[nH]c3c2)CC1 587113411 JEKQABWGAIDYLJ-UHFFFAOYSA-N 442.449 3.035 0 1 IGAF Cc1cccn2c(=O)c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c(N(C)C)nc12 587592426 YRGKSCLXGCNUSM-AVRDEDQJSA-N 443.459 3.477 0 1 IGAF O=C(O)CS[C@H](O)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587608496 REDWVRJYXGPLLP-VJBMBRPKSA-N 438.457 3.386 0 1 IGAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](c2ccc(Br)cc2)(c2cncnc2)N1 962904931 ODRKDVPRCWXTLC-AZUAARDMSA-N 428.261 3.269 0 1 IGAF NC(=O)CCNC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772627620 YUNYYPPHGYKTOU-PKNBQFBNSA-N 426.480 3.477 0 1 IGAF COc1ncc(N2CCc3ncnc(-c4ccnc(NC5CCOCC5)c4)c3C2)cc1C 1857601608 UJCSDSDXMJZRJS-UHFFFAOYSA-N 432.528 3.404 0 1 IGAF CN(C)C(=O)COc1ccc(Cc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)cc1 1857748254 QUDMQNDHONHCJK-UHFFFAOYSA-N 432.509 3.392 0 1 IGAF CC1=C[C@H](CNC(=O)COCC(=O)O)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 2356293788 KGFUAPPNWODNEN-OTWHNJEPSA-N 427.545 3.486 0 1 IGAF C[C@@]1(CO)[C@H]2Cc3sc(-c4cccnc4)nc3[C@H](CC(=O)NC3CC3)[C@@]2(C)CC[C@H]1O 2356314532 STLYZRFBRNIHFY-DUKVSUEVSA-N 441.597 3.289 0 1 IGAF COc1ccc(Cn2c(=O)c(C(=O)NCc3ccc(F)cc3)c(O)c3ncsc32)cc1 35010311 LYUYNFHPPKZKGN-UHFFFAOYSA-N 439.468 3.290 0 1 IGAF C[C@@H](CN1CCC(n2c(=O)[nH]c3c(F)cccc32)CC1)NC(=O)c1ccc(F)c(F)c1 40423413 XJRPOXWRHJABGE-ZDUSSCGKSA-N 432.446 3.202 0 1 IGAF CC(C)C(=O)OCC(=O)[C@H]1CC[C@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3C(=O)C[C@]12C 40496604 UHWOAYITUVVFCV-RRXDLLNYSA-N 434.529 3.226 0 1 IGAF COC(=O)C(=C/c1ccc(OC)c(OC)c1)/C(=C\c1ccc2c(c1)OCO2)C(=O)OC 69482435 YCQZYDUMZXNVBX-CZCYGEDCSA-N 426.421 3.246 0 1 IGAF biogenic,in-vitro CC(=O)Nn1c(S)nnc1Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2 72174805 QSZVFNDCIXARSO-UHFFFAOYSA-N 427.555 3.440 0 1 IGAF COc1ccccc1CCNC(=O)c1cnc(N2CCOCC2)nc1-c1cccc(C)c1 82147219 DPPQJKULCAOYPX-UHFFFAOYSA-N 432.524 3.270 0 1 IGAF O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO 95866248 XBPXBLFNMMBNOE-GIFXNVAJSA-N 430.479 3.304 0 1 IGAF COc1cc2c(cc1OC)[C@@H](C)N(C(=O)Cn1ncc3c4ccccc4nc-3c1O)CC2 103536310 AYKUKNURQVSWQP-CQSZACIVSA-N 432.480 3.405 0 1 IGAF Cn1ncc(NC(=O)c2nc(-c3ccccc3F)sc2N)c1C12CCC(CN)(CC1)O2 221406014 HKRWQGWAPTZHHM-UHFFFAOYSA-N 442.520 3.014 0 1 IGAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N(C)C4CCC4)c3F)C2)cc1 261122562 JSWNMISEPPUDHN-MGPUTAFESA-N 427.524 3.459 0 1 IGAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(OC)cc(OC)c4[nH]3)c2)o1 586923396 JXNYTIVUYWTQHU-UHFFFAOYSA-N 428.470 3.166 0 1 IGAF O=C1COc2cc3[nH]c(CCn4cc(Br)c(C(F)(F)F)n4)nc3cc2N1 587119062 UZOGOWCFMAGWAV-UHFFFAOYSA-N 430.184 3.114 0 1 IGAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1[C@@H]3[C@@H]4[C@@H]5C[C@@H]([C@H]41)[C@@H]2[C@@H]5C31OCCO1 587606178 CATMXHSSNSKQBL-PZXZTLCISA-N 430.456 3.223 0 1 IGAF CC(=O)c1ccc2c(c1)[C@]1(C[C@@H](OCCN)C1(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962617156 BPMJINABOARQDB-GLDPYIMESA-N 446.544 3.105 0 1 IGAF C[C@H]1CN(C(=O)c2nc(Nc3cc(C4CC4)[nH]n3)c3cc(Cl)ccc3n2)C[C@@H](C)N1 1772641108 VIRGBRQFVJELSV-TXEJJXNPSA-N 425.924 3.450 0 1 IGAF O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CC[C@H](O)[C@H](O)C1 1772645670 AUPWWVIZKYGGSL-ZWKOTPCHSA-N 433.386 3.009 0 1 IGAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C4=CC(=O)OC4)[C@@H](O)C[C@@]32O)C1 2356451505 IBVUJOOHHPQIOV-JLKVEGBASA-N 432.557 3.146 0 1 IGAF CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCC(C)CC1)C(=O)OCc1ccccc1 15952270 FYJRUUGTOWXAFW-IBGZPJMESA-N 440.544 3.170 0 3 IGAF CS(=O)(=O)Nc1cccc(NC(=O)[C@@H]2Cc3c(-c4cccc(F)c4)ccnc3O2)c1 61926178 ALBSGVOHARNNSV-IBGZPJMESA-N 427.457 3.201 0 3 IGAF CC(C)C[C@H](NC(=O)CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1 198920073 KLCQTGNKERKWTD-VXKWHMMOSA-N 427.589 3.405 0 3 IGAF O=c1n(Cc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccccc1S(=O)(=O)O 28569623 AINWMTYSMYTJKD-UHFFFAOYSA-N 434.477 3.023 0 1 IGAF CC(=O)Nc1ccc(CCOCCOc2ccc(OC[C@@H](O)CNC(C)C)cc2)cc1 29348079 VXZHGZIHSLAWSW-QFIPXVFZSA-N 430.545 3.021 0 1 IGAF CCCCSc1nc(N)c2[nH]c(=O)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2n1 40836021 MUOUONDZFUZNIO-UHFFFAOYSA-N 426.329 3.309 0 1 IGAF CNC(=O)c1ccc(-c2ccc3nnc(COc4ccnc5cc(OC)ccc45)n3n2)cc1 62154034 QODHFZWQDAIVMY-UHFFFAOYSA-N 440.463 3.287 0 1 IGAF COc1ccc2nc(C)cc(NC(=O)CN3C[C@@H](CNCC4CCCCC4)OC3=O)c2c1 72119823 UOWZTTBYAFJLKN-LJQANCHMSA-N 440.544 3.481 0 1 IGAF COCCCNC(=O)c1cnc(N(C)CC(C)C)nc1-c1cc(OC)c(OC)c(OC)c1 82143179 SAKYRBKXIGKKCU-UHFFFAOYSA-N 446.548 3.028 0 1 IGAF CC1(C)O[C@@H]2[C@@H](O1)[C@@H](OC(=O)c1ccccc1)[C@@H]1OC(C)(C)O[C@@H]1[C@@H]2O[C@H]1CCCCO1 100033849 KDAUNBWBYRLNDG-UJPCIWJBSA-N 448.512 3.178 0 1 IGAF COc1cccc(OC)c1C(=O)N1C[C@@H]2CN(c3nccc(-c4ccccc4)n3)C[C@H]2C1 116823938 MBMKYAGDMHNQIG-RTBURBONSA-N 430.508 3.369 0 1 IGAF Cc1cc(C(C)(C)C)nc(N2C[C@@H]3CN(C(=O)c4c(F)cccc4-n4nccn4)C[C@H]3C2)n1 116826320 IQZVXSJDHSRKDW-IRXDYDNUSA-N 449.534 3.011 0 1 IGAF Cc1nc([C@@H](O)[C@@H]2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)sc1C 199435642 RTBVETUBOURPJC-UTKZUKDTSA-N 439.585 3.490 0 1 IGAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N(CCO)CCO)no2)cc1C#N 202710757 VNDOOJDYFUXMST-JOCHJYFZSA-N 448.523 3.336 0 1 IGAF Cc1cc(N2C(=O)c3nn(C(=O)N(C)C)c(C)c3[C@H]2c2ccc(Cl)cc2)cn(C)c1=O 261077320 BDBFPELIWNNUAS-LJQANCHMSA-N 439.903 3.132 0 1 IGAF CC1=C[C@@]2(CC(=O)N1CCCC(=O)O)N[C@H](C)Cc1ccc(F)c(Br)c12 587757657 HGDRNGCJBCHULE-WYRIXSBYSA-N 425.298 3.319 0 1 IGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nc(NN)c(Cl)c(N)c1Cl 587871209 QDQFGWLWJOYFOR-UHFFFAOYSA-N 425.251 3.346 0 1 IGAF O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccn1)NCc1ccccc1 653882151 PLJICQYTDBCBSR-UHFFFAOYSA-N 430.533 3.443 0 1 IGAF COc1ccccc1CCn1cnc2sc3c(c2c1=O)CCN(C(=O)N1CCCC1)C3 1857598631 REQFVEBVRQSIBC-UHFFFAOYSA-N 438.553 3.283 0 1 IGAF O=C(N[C@@H]1CCN2C(=O)c3cc(-c4ccco4)ccc3NC(=O)[C@H]2C1)c1cccc(F)c1 2356835621 KTMUVWOYNOWZBL-YLJYHZDGSA-N 433.439 3.441 0 1 IGAF COc1ccc(CCCNC(=O)[C@@]2(C)Cc3c(-c4ccc(C(N)=O)cc4)ccnc3O2)cc1 61906583 ZNYPMXZMAUTFMM-AREMUKBSSA-N 445.519 3.299 0 3 IGAF Cc1ccc(F)c(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)c2cccc3ccccc23)c1 61907508 ZIXXEORAXLMUAF-HSZRJFAPSA-N 440.496 3.397 0 3 IGAF CCOc1cccc([C@@H]2ON=C(c3ccccc3OCC)[C@H]2C(=O)NC[C@H](O)CC)c1 770474 XEYQPSSYQUXTHG-OAOOKAIFSA-N 426.513 3.463 0 1 IGAF O=C(N[C@@H]1CCCCNC1=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4053722 HHOFWFTZXZILOM-HBFSDRIKSA-N 429.879 3.356 0 1 IGAF O=C1C[C@@]2(C(=O)N1)c1cc(Cl)ccc1C(=O)N2Cc1ccc(Br)cc1F 13651390 BVZOQHDKUIMGGL-SFHVURJKSA-N 437.652 3.139 0 1 IGAF COc1cc(-c2ccccc2)cc(Oc2c(OC)cc([C@@H](O)[C@H](O)CO)cc2OC)c1O 49089618 LXYLAIPUYRMIPU-VGOFRKELSA-N 442.464 3.264 0 1 IGAF biogenic C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)cc1 84731056 WUWQRNVFOKPCAQ-UHFFFAOYSA-N 439.459 3.341 0 1 IGAF CCOc1cccc(CN2CC[C@]3(CNS(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)c1 95573408 OXUOUFYCNLPKRL-HTAPYJJXSA-N 433.549 3.302 0 1 IGAF O=C(Nc1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 95795416 DYGXIGZWPPRTRB-FIXSFTCYSA-N 446.482 3.091 0 1 IGAF O=C(c1ccc(F)cc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 95795783 WKRXUPRECLBEMI-OYRHQHFDSA-N 448.469 3.443 0 1 IGAF CO[C@@H](CN(C)Cc1ccc2c(c1)OCO2)[C@@H](C)CN(C(=O)c1ccccc1)[C@@H](C)CO 95898981 RDQYWFNTQPCNSM-JXQFQVJHSA-N 442.556 3.021 0 1 IGAF CNc1ncc(-c2ccc(C3(c4noc(-c5cnn(CC(C)(C)O)c5)n4)CCC3)cn2)cn1 96175574 WSFOSOBZZLDQRJ-UHFFFAOYSA-N 446.515 3.068 0 1 IGAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nnc(N)[nH]1)(C3)C2 101065158 ABFKDXBHEQHAFL-VTRDWUKWSA-N 429.952 3.460 0 1 IGAF c1cc2c3cnc(Nc4cnc(N5CCCNCC5)cn4)nc3n(C3CCCC3)c2cn1 169706665 GQNCGEIXZCKMDP-UHFFFAOYSA-N 429.532 3.428 0 1 IGAF O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1[C@@H](CO)c1ccc(F)c(Cl)c1 223514993 QUUWFJNPVOBROF-FQEVSTJZSA-N 444.894 3.270 0 1 IGAF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Br)c(F)c3[nH]2)cc1 586931417 CCWOOGSEWSUIII-UHFFFAOYSA-N 428.283 3.294 0 1 IGAF CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(-n4cnnn4)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239660 MRUSFASQUKBSQD-SRVWHDFXSA-N 439.520 3.094 0 1 IGAF COC(=O)C(=O)C[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336167 JIBMPLRHRBEGJJ-URXFXBBRSA-N 435.407 3.313 0 1 IGAF Cc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3ccc(Cl)cc3)[C@H]4C2=O)cc1 618005468 BDZORXDRTRDKER-ILSIFQBBSA-N 436.939 3.289 0 1 IGAF O=C(O)COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1Cl 962975037 XFYZFUUEHJANFE-SJCJKPOMSA-N 432.206 3.423 0 1 IGAF COC(=O)N1CCC2(CC1)c1cc(OC)c(OC)cc1CCN2C(=O)c1ccccc1N 963154819 FUNDSSXSYHRPQR-UHFFFAOYSA-N 439.512 3.042 0 1 IGAF C/C=C/C=C/C[C@@H]1C[C@H](O)[C@H]2[C@@H]3C(C)=C[C@H]4C=C[C@@H](O)[C@@H](O)[C@@H]4C(C)=CC=C[C@@H]3C(=O)N12 1857742639 HFNMIOGEGCXSJX-OJKCJHMSSA-N 437.580 3.072 0 1 IGAF CC(=O)O[C@@H]1[C@H](O)C[C@]2(C)[C@H](CC[C@H](C)[C@@]23Cc2c(O)cc4c(c2O3)CNC4=O)C1(C)C 2356719858 JOLITHWHEFIGDT-GRSPIFSVSA-N 443.540 3.084 0 1 IGAF CC(=O)C[C@@H]1CC(=O)[C@H](O)CCC=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@@H](CC(C)C)NC(=O)[C@]32C1=O 2356798969 TVCXNWRWOPBJLM-IBKUGVLBSA-N 443.584 3.180 0 1 IGAF CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1cccc(CNCCOC)c1 14974840 GTDZHPNPPFOWPC-UHFFFAOYSA-N 444.919 3.294 0 1 IGAF CC(=O)Nc1sc2c(c1Cc1nnc(S)n1NC(=O)c1ccccc1)CCCC2 72174844 SLNZFODXXSIZAB-UHFFFAOYSA-N 427.555 3.440 0 1 IGAF O=S(=O)(NCCCN1CCN(c2ccc(Cl)cc2)CC1)c1cnc2ccccc2c1 73197439 CVOCUWUCOKQWOH-UHFFFAOYSA-N 444.988 3.379 0 1 IGAF O=c1n(S(=O)(=O)c2ccc(Cl)cc2)nc(Cc2ccccc2)n1Cc1ccco1 103217373 JKTKHLHQWQZXEE-UHFFFAOYSA-N 429.885 3.167 0 1 IGAF CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCC5)c4n3)nn2)CC1 169706885 CEBQAEVICMUFAY-UHFFFAOYSA-N 429.532 3.426 0 1 IGAF CCOC(=O)[C@H]1C(C)=NC(Cn2ccnc2)=C(C(=O)OC)[C@H]1c1ccccc1OC(F)F 169712712 OJUYVLVAOYMWCV-ROUUACIJSA-N 447.438 3.349 0 1 IGAF Cc1c(CCC2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)ccc2c1COC2=O 206957914 ITDVYOUBQOMQIA-UHFFFAOYSA-N 445.523 3.055 0 1 IGAF CCCCO[C@H]1C[C@@H](C(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)N(C(=O)c2cnccn2)C1 299884762 UKOVKZHZXBQLHA-ARZBDZIHSA-N 428.577 3.304 0 1 IGAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1nc(=NC(=O)c3ccc(F)cc3)s[nH]1)O2 587385381 SJXRYKSKLJGBTQ-OAQYLSRUSA-N 426.473 3.209 0 1 IGAF Cc1nc2nc(O)nc(O)c2cc1[C@H](c1ccccc1)[C@H]1C(=O)Oc2c(O)cccc2C1=O 587564118 ZJCVQGDCYOXWRQ-ZWKOTPCHSA-N 443.415 3.000 0 1 IGAF O=C(O)CCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(F)cc21 587570595 LSZKZDFZRCFHET-GBXCKJPGSA-N 449.390 3.210 0 1 IGAF O=C(O)Cc1ccc(Cc2nc3c(I)cnc(Cl)c3[nH]2)cc1 587960452 CIIQBOQIHXVQAZ-UHFFFAOYSA-N 427.629 3.434 0 1 IGAF C[C@]1(CC(=O)Nc2ccc3c(c2)OCO3)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962956943 LSGMVIKOMCKKDS-ZUOKHONESA-N 438.814 3.190 0 1 IGAF CC(C)(C)n1cc([C@@]2(C(=O)O)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cn1 963171836 CDVLQEHQONMBNO-KBXCAEBGSA-N 445.825 3.237 0 1 IGAF N[C@@]12C[C@H]1CN(c1ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc1-c1cc[nH]n1)C2 1772587678 OWSNJCJWCCXWGC-RNODOKPDSA-N 444.417 3.160 0 1 IGAF Cn1nc(-c2ccccc2)cc1[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=O)COc1ccccc1 2356865777 WMLVNXKFXNRSPJ-QNWVGRARSA-N 430.552 3.460 0 1 IGAF COc1ccc(-n2nnnc2[C@H](C2CC2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 72141148 IHONVXCPIIHWGQ-LNJOJYBOSA-N 430.556 3.453 0 3 IGAF C[C@H](NC(=O)C1CCOCC1)c1nnc2n1CCN(Cc1ccc3ccccc3c1)CC2 12026871 QVHWDWDVIMLTJE-SFHVURJKSA-N 433.556 3.093 0 1 IGAF CSc1ccccc1C(=O)N1CCc2c(cnc(C)c2CNC(=O)[C@@H]2CCCO2)C1 12028034 ZDTRVXKALRAVOL-FQEVSTJZSA-N 425.554 3.106 0 1 IGAF COc1ccc(CCN(C)[C@@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)cc1OC 12298666 NMFBJBCVBPIQDM-GOSISDBHSA-N 427.545 3.350 0 1 IGAF COc1ccc(C(=O)N[C@@H]2N=C(c3ccccc3F)c3ccccc3NC2=O)cc1OC 13601608 RVWRHQOISOPOAU-QFIPXVFZSA-N 433.439 3.389 0 1 IGAF CN(C)C(=O)c1cccc(-c2cc(N3C[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)ncn2)c1 14958744 LUCRWOVIRFVMSM-UZLBHIALSA-N 441.457 3.194 0 1 IGAF CCCN(C[C@@H]1CCCO1)C1CCN(c2ccc(C(=O)N3CCN(CC)CC3)cc2)CC1 14989901 PAWIMAWGBFYVJT-VWLOTQADSA-N 442.648 3.324 0 1 IGAF CCOC(=O)[C@@H]1Nc2cc(Cl)cc(Cl)c2S(=O)(=O)N1Cc1cccc(N)c1 26652903 YNQUJYRDYTVQDN-MRXNPFEDSA-N 430.313 3.081 0 1 IGAF O=C(Cc1ccncc1)N1CCCCN2[C@@H](CO)[C@@H](c3ccc(-c4ccncc4)cc3)[C@@H]2C1 95873749 SDSXGZBNTFUEJJ-KLJDGLGGSA-N 442.563 3.137 0 1 IGAF Cc1ccc(CN2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCCc3ccc(Cl)cc3)[C@@H]4C2=O)cc1 100293182 BDZORXDRTRDKER-FFHOAYQKSA-N 436.939 3.289 0 1 IGAF O=C(NC[C@@H]1CCC2(CCNCC2)O1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167001204 MKLUAVLESOMDFQ-QFIPXVFZSA-N 434.540 3.265 0 1 IGAF CCNc1nc(Nc2ccc(C(=O)N3CCOCC3)c(F)c2OC)ncc1C(F)(F)F 169705145 YYMUVTWYISQEGK-UHFFFAOYSA-N 443.401 3.291 0 1 IGAF CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCO)CC1 219038736 ZBAAWCIEXLKIOX-UHFFFAOYSA-N 440.523 3.145 0 1 IGAF COc1cc(-c2nncn2C)ccc1Nc1ncc2c(C)cnc(NCC3(C)COC3)c2n1 223711628 SZKVKLVOVASSRK-UHFFFAOYSA-N 446.515 3.329 0 1 IGAF COc1cc(Nc2nc3n(n2)[C@@H](C)CCN3CCC(C)(C)O)ccc1-n1cnc(C)c1 299833584 QMOFTEYKFWKBQO-INIZCTEOSA-N 425.537 3.457 0 1 IGAF CCO[C@H]1OC[C@]2(C(=O)OC)CCC[C@@]13[C@H]1C[C@@]4(OC)OC(=O)C=C4[C@H](C)[C@@H]1CC[C@@H]23 473146753 DCJZJZPAWZBROQ-MGVQBMFZSA-N 434.529 3.217 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3c(C)cnc(Cl)c3[nH]2)C(C)C)cc1 586933196 NJPWLZVXRIKHDY-MRXNPFEDSA-N 449.964 3.231 0 1 IGAF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(Br)nc2[nH]1 586964549 GSKJXKHLMMPLMF-UHFFFAOYSA-N 433.339 3.177 0 1 IGAF CCOC(=O)c1cn(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nn1 587339813 FPNPIHDJVDVRKK-UGKGYDQZSA-N 425.416 3.117 0 1 IGAF CC(C)(C)OC(=O)N1CC2(CNC(=O)C[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 587518323 FJWGNCJGHXOYOX-XMMPIXPASA-N 426.513 3.026 0 1 IGAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587950878 DVISJDYAXJOZHH-JUXOCIIHSA-N 428.577 3.359 0 1 IGAF COC(=O)C(=O)C[C@]1(c2c(C)nn(C)c2C)c2ccsc2CCN1Cc1ccco1 962713036 SGUXSHCFNVRTMA-JOCHJYFZSA-N 427.526 3.126 0 1 IGAF Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963031910 RVJCPVBCCZXNTN-FPTDNZKUSA-N 442.441 3.333 0 1 IGAF CC(C)CCOc1ccc(NC(=O)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@@H]3OC(C)(C)O[C@H]23)cc1 11852629 QZBQHWZMRCUXMN-MERXZDIISA-N 435.517 3.447 0 1 IGAF C[C@H](Cc1ccccc1)NC(=O)[C@@H](C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 16032566 MCCLMFWJRSSHHP-VDYXTEHCSA-N 444.535 3.339 0 1 IGAF biogenic COc1ccc([C@@H]2Oc3c(ccc(OC)c3OC)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1OC 32221525 BSMSXNNOCRXXHE-XKCSPQBFSA-N 446.452 3.391 0 1 IGAF biogenic O=c1[nH]c2c(O)ccc([C@@H](O)CNCCCSCCOCCc3ccccc3)c2s1 34946055 GIBUZEJUJJDWTJ-IBGZPJMESA-N 448.610 3.301 0 1 IGAF COc1ccc(Nc2nccc(N3CC[C@H](NC(=O)Nc4ccc5c(c4)OCO5)C3)n2)cc1 45229255 VZCYRGSRIUXUTC-KRWDZBQOSA-N 448.483 3.358 0 1 IGAF COc1ccc2c(c1)CCC(=O)N2CCCN1CCC(NC(=O)Cc2ccccc2)CC1 64564869 UKRRWVUULVILFQ-UHFFFAOYSA-N 435.568 3.188 0 1 IGAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N3CCN(C(C)=O)CC3)nc2-c2ccccc2)C1 82132927 LBBUDSXSTFMMPI-QUCCMNQESA-N 435.572 3.463 0 1 IGAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc(F)cc2)C1 82214978 YKCKRDBCBAXTMJ-DOTOQJQBSA-N 427.524 3.481 0 1 IGAF Cc1ccc(NC(=O)C2CCC2)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O 84652173 QANOYHPJGUQUJD-UHFFFAOYSA-N 431.540 3.185 0 1 IGAF CN[C@@H]1CCc2ccc(OCCNS(=O)(=O)CC3CC3)cc2[C@@H]1Cc1ccccc1 88260772 ASEYGQZFMNXZIV-BJKOFHAPSA-N 428.598 3.255 0 1 IGAF Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(C)c(=O)c12 88345760 AGRGWKOEUGLVFA-UHFFFAOYSA-N 430.443 3.129 0 1 IGAF O=C(Nc1cccc(F)c1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1 95894154 BTZMUYUPBGXRAY-BHDDXSALSA-N 432.455 3.242 0 1 IGAF CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C1[C@H]2C[C@H]1CN(C1COC1)C2 146515431 HIRKOWHMKNYHOL-KBPBESRZSA-N 437.466 3.441 0 1 IGAF CC(C)[C@@H](CO)NC(=O)c1cnn2ccc(N3CCC[C@H]3c3cc(F)ccc3F)nc12 149921688 WDCXWYXCNRUVKU-MOPGFXCFSA-N 429.471 3.096 0 1 IGAF COCCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2cccc(OC)c2)CC3)n1 169702346 CJFIUJPBWKDXPD-UHFFFAOYSA-N 431.500 3.238 0 1 IGAF C[C@]1(c2cc(NC(=O)c3ccc(OCC(F)F)cn3)ccc2F)N=C(N)OC[C@@H]1F 169702957 QINMTEKICIURAP-HNAYVOBHSA-N 426.370 3.015 0 1 IGAF O=C(NCCCCN1CCN(c2ccnc3ccccc23)CC1)c1cn2ccccc2n1 207549733 OWKWAFZWCZQWNM-UHFFFAOYSA-N 428.540 3.215 0 1 IGAF CCOC(=O)C(C(=O)OCC)[C@@]1(C(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594790 JBCQYQPNGPUDHP-KOSHJBKYSA-N 442.464 3.491 0 1 IGAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1S(N)(=O)=O 587841605 RWOBUVMEWAIASX-BBATYDOGSA-N 427.339 3.342 0 1 IGAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21CC(=O)C[C@H](c2ccccc2)[C@H]1n1cncn1 963636079 OSTIIZDBEMXYFN-HOXZFZMZSA-N 432.524 3.413 0 1 IGAF Cc1ccc(-c2cn(Cc3ccccc3Cl)nn2)cc1C(=O)NCCN1CCOCC1 1857593744 JQTMLIVIXOCARX-UHFFFAOYSA-N 439.947 3.017 0 1 IGAF CC1=CC(=O)O[C@H]2C[C@@H](CC[C@H](C)C=CCC(=O)CC1)O[C@@](O)([C@H]1CSC(=O)N1)C2 2356704053 GCLFJDBFHQMHMU-MAEOEUOPSA-N 437.558 3.263 0 1 IGAF CO[C@H](c1ccccc1)c1nnc(CCC(=O)N2CCN(Cc3cccs3)CC2)o1 20912331 LEEOFPCMIMQUPD-OAQYLSRUSA-N 426.542 3.144 0 3 IGAF O=C(NCCN1CCOCC1)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)cc1F 4049408 NPMJKMXIZNBGHA-CTNGQTDRSA-N 431.895 3.019 0 1 IGAF CN1CCN(c2cccc(Nc3ncc4ccn(-c5cccc(C(N)=O)c5)c4n3)c2)CC1 14954914 OBJOREYUKFGGKX-UHFFFAOYSA-N 427.512 3.015 0 1 IGAF Cc1cc(COc2ccc(C(=O)CCC3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 28892520 ZUXNMEBHGOPNIP-UHFFFAOYSA-N 445.475 3.457 0 1 IGAF CC(C)CN1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3ccccc3c2)CC1 28895356 AOWXTMWQPFORIG-QHCPKHFHSA-N 443.613 3.230 0 1 IGAF CCOC(=O)c1c(C)nn2c(=O)n(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nnc12 35245075 RPFLGTFBJBNQTF-UHFFFAOYSA-N 436.177 3.086 0 1 IGAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3cc4ccccc4cn3)CC1)C(=O)C2 40392660 AZQCPPQIWMOIQD-AUSIDOKSSA-N 427.570 3.082 0 1 IGAF CN(Cc1ccc2occc2c1)c1nc(=O)nc(Nc2ccccc2N2CCOCC2)[nH]1 64539166 ATXLOASTCOAZNE-UHFFFAOYSA-N 432.484 3.128 0 1 IGAF CC(=O)N1CCN(c2ncc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c(-c3ccccc3F)n2)CC1 82152217 SSGMMDODJKMYBP-CALCHBBNSA-N 439.535 3.069 0 1 IGAF O=C(Nc1ccccc1F)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)c1ccccn1 95893572 XKMDMBLXMIZAOP-FSSWDIPSSA-N 432.455 3.242 0 1 IGAF O=C(Nc1ccc(Cl)cc1)N[C@@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO 95906934 MUASOPIRAYEFMY-NSISKUIASA-N 449.910 3.329 0 1 IGAF C[C@H](Nc1ncnc(N)c1-c1nccs1)c1nn2cccc2c(=O)n1-c1ccccc1 208995190 QYCHGSGPOZYLQP-ZDUSSCGKSA-N 430.497 3.154 0 1 IGAF COCCOC1CCN(c2cc(-c3n[nH]c4ccc(-c5cnn(C)c5)cc34)ncn2)CC1 221104665 RWUMCUKOMMYUAL-UHFFFAOYSA-N 433.516 3.052 0 1 IGAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cn(-c2ccc(Cl)cc2)cn1 226094482 YFYRVKRJXKSDNY-OGHNNQOOSA-N 428.880 3.195 0 1 IGAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(N)c(N)cc2[nH]1 586956229 AJBLNFAGMITTBB-UHFFFAOYSA-N 435.509 3.154 0 1 IGAF Cc1cc(-c2nc3cc4c(cc3[nH]2)NC(=O)CO4)ccc1NS(=O)(=O)C(F)(F)F 587124214 JNUPQIJBIKZKLE-UHFFFAOYSA-N 426.376 3.131 0 1 IGAF C=CS(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc(C(F)(F)F)c(Br)c2)C1 618017224 HSGAVWZKFFQSMK-SECBINFHSA-N 427.242 3.202 0 1 IGAF COc1ccc2c(c1)[C@H](c1cn(C)nc1CN1C(=O)c3ccccc3C1=O)N[C@@H]1CC[C@@H]21 962999525 YMWVYIOXKGRSGL-POCHDABASA-N 428.492 3.164 0 1 IGAF C[C@H](Nc1nc(F)cc(N2C(=O)OC[C@H]2[C@@H](C)O)n1)c1cnn(-c2ccc(Cl)cc2)c1 1772624245 CUCKGGUBBMYMRU-OZVIIMIRSA-N 446.870 3.334 0 1 IGAF CC(=C[C@H](O)[C@@H]1OC(=O)C=C1C)CC[C@@H]1[C@](C)(O)C[C@@H]2O[C@H](O)[C@]3(C)CCC[C@]1(C)[C@@H]23 2356501542 DOMUYBKPZYQPSE-WSQXXBGQSA-N 434.573 3.246 0 1 IGAF COc1cc([C@@H]2C3=C(COC3=O)OC(C)(C)Oc3cc4c(cc32)OCO4)cc(OC)c1O 1643201 RATAWNZIHFKITP-IBGZPJMESA-N 442.420 3.226 0 1 IGAF CN(C(=O)Cn1c(=O)n(-c2ccccc2)c(=O)c2c3c(sc21)CCC3)c1ccccc1 2467518 YMJJBVDNUALRHZ-UHFFFAOYSA-N 431.517 3.366 0 1 IGAF NC(=O)c1cnc(Nc2ccc(N3CCOCC3)cc2)nc1NCc1c(F)cccc1F 3937790 KJXQRRSXUAURNM-UHFFFAOYSA-N 440.454 3.046 0 1 IGAF CN(C)c1ccc(C2=NO[C@@H](c3cccc4ccccc34)[C@H]2C(=O)NCCOCCO)cc1 4041123 ACAHSLSSYAPOOZ-ZCYQVOJMSA-N 447.535 3.123 0 1 IGAF CC(C)(N)[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 27857972 OYWLSRULTYEDQR-LLVKDONJSA-N 446.429 3.065 0 1 IGAF CC(=O)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OC(=O)c1ccccc1)[C@@H]23)OCO5 58591674 CWFZBOLWWVLFLC-CJRSTVEYSA-N 433.460 3.184 0 1 IGAF COC(=O)[C@H](Cc1ccccc1)NC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82081043 OMPPXHCMZJYMPS-SFHVURJKSA-N 426.494 3.341 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCC3)cc2OC[C@@H](C)N(C)C[C@@H]1C 95679235 PKUVVKWKOXMSIX-GSHUGGBRSA-N 431.577 3.251 0 1 IGAF O=C(Nc1ccc(F)cc1)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)Cc1ccccn1 95893575 PJZPDGURIMLNLR-WPFOTENUSA-N 446.482 3.171 0 1 IGAF COc1ccccc1C(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)Cc1ccccc1 95893858 WKLKXIDABFQCTN-PPJWLVRDSA-N 442.515 3.254 0 1 IGAF Cn1c2c(c3cc(S(=O)(=O)c4ccc5c(ccn5CCO)c4)ccc31)[C@@H]1CC[C@H](C2)N1 96175262 DUTCNPUXEDDNHE-UZLBHIALSA-N 435.549 3.307 0 1 IGAF O=C(N[C@H]1[C@@H]2CN(CCc3ccc4c(c3)OCO4)C[C@@H]21)[C@](O)(c1ccccc1)C1CCCC1 101122886 CWHYVJWMHYDVMM-DJCWJLACSA-N 448.563 3.082 0 1 IGAF CC(C)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2 102958094 NXVJDHHXYCWWLN-KURKYZTESA-N 436.574 3.260 0 1 IGAF CC1(COc2nc(C(=O)NC(C)(C)c3nccs3)ccc2Br)COC1 206689256 MIONUHFBEXBYAK-UHFFFAOYSA-N 426.336 3.381 0 1 IGAF CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=CCC(=O)CC1)O[C@@](O)([C@@H]1CSC(=O)N1)C2 253671059 GCLFJDBFHQMHMU-SZIUKJGQSA-N 437.558 3.263 0 1 IGAF COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4CC5=CCC[C@H](C)[C@]5(C)[C@@H](O)[C@H]43)CC2)c1 504294215 HDQONPFINLODRO-XSFLXHRYSA-N 440.584 3.102 0 1 IGAF biogenic Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(C3=COCC3)nc1-2 586911955 BDTZSBRDFNQCND-UHFFFAOYSA-N 428.431 3.247 0 1 IGAF CC(C)(C)OC(=O)N[C@H](C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)C(=O)O 587570191 IMHYITHVHBTZRU-BKTORNKPSA-N 443.452 3.481 0 1 IGAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)c(I)c1 962895888 AALMQRPCBUSGAO-GOEBONIOSA-N 427.213 3.127 0 1 IGAF N=c1[nH]c(C(=O)Nc2cc(-c3ccc(OC[C@H]4CCCNC4)nc3)ccc2Cl)co1 1857567666 OMKCQAFXNZNGMG-ZDUSSCGKSA-N 427.892 3.433 0 1 IGAF CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@@H]2c2sccc2Br)C1=O 1857773255 XLOMBPZCCYWZSX-RHSMWYFYSA-N 430.327 3.307 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc3c(c1OC)OCO3)C(=O)[C@@](C)(O)[C@H](C)C2 2356622500 HMWPHTSOEAYEEG-BGJPBQGDSA-N 430.453 3.243 0 1 IGAF Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)c5cccs5)CC4)nc2-3)c1 100549424 RXRUSAHDIKVSDH-UHFFFAOYSA-N 448.552 3.213 0 3 IGAF O=C1[C@H]2C3c4ccccc4C([C@H]2C(=O)N1c1ccccc1)[C@H]1C(=O)N(c2ccccc2)C(=O)[C@@H]31 1619611 VOAQZUPZPIBDPI-DLMXUGLJSA-N 448.478 3.493 0 1 IGAF C=CCNC(=O)c1ccc(N2C(=O)N3CCc4c([nH]c5ccc(OC)cc45)[C@]3(C)C2=O)cc1 2111329 PCRZZJGJDBPFJJ-RUZDIDTESA-N 444.491 3.332 0 1 IGAF biogenic COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccccn2)cc1 13443052 GAIPEMIZEAGHFH-IIBYNOLFSA-N 430.508 3.183 0 1 IGAF Cc1cccc(NC(=O)c2sc3ncn(CC(=O)N4CCCC[C@@H]4C)c(=O)c3c2C)n1 20756252 XPJCMTNZHTZUFH-AWEZNQCLSA-N 439.541 3.123 0 1 IGAF OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(Nc4ccc(Cl)c(Cl)c4)nc32)C[C@@H]1O 31870953 HEEANCXZTNZIAU-QJPTWQEYSA-N 430.679 3.171 0 1 IGAF O=C(Nc1ccccc1F)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccnc4)cc3)[C@@H]2C1 95795415 DYGXIGZWPPRTRB-ZDXQCDESSA-N 446.482 3.091 0 1 IGAF O=C(C1CCOCC1)N1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2Cc1ccc(Cl)cc1 95894700 KGAZZJOVSJKWCZ-YTFSRNRJSA-N 426.944 3.442 0 1 IGAF O=C([C@H](Cc1ccccc1)NCc1cncs1)N1CCn2nc(-c3ccncc3)cc21 96284438 RRVILQFGAICFPT-NRFANRHFSA-N 430.537 3.149 0 1 IGAF CC1(C)c2[nH]nc(NC(=O)c3cccc(Cl)c3)c2CN1C(=O)N1CCN2CCC[C@@H]2C1 114194111 YJWWMIJFJYWCCK-MRXNPFEDSA-N 442.951 3.266 0 1 IGAF Cc1nc2ccc(C(F)(F)F)nc2n2c(-c3cc([C@]4(O)CCOC4)ccc3F)nnc12 145783260 WWECGKYTXNKTDI-IBGZPJMESA-N 433.365 3.414 0 1 IGAF CNc1nc(Nc2cc(OC)c(C(=O)N3CCCOCC3)cc2Cl)ncc1Cl 147718521 SDPPYVQMWRPUJD-UHFFFAOYSA-N 426.304 3.440 0 1 IGAF COc1ccc(COc2cnn(CC(=O)c3ccc(CN4CCCC4)cc3C)c(=O)c2)nc1 169711479 RRXRQBXYGVCMBC-UHFFFAOYSA-N 448.523 3.013 0 1 IGAF C=CC(=O)Nc1cccc(Oc2nc(Nc3cnn(CCN(C)C)c3)nc3[nH]ccc23)c1 219572311 UOJICKHILBQQNT-UHFFFAOYSA-N 432.488 3.376 0 1 IGAF CCOc1cc([C@@H]2NC(=O)N[C@H](c3cnn(C)c3)[C@H]2c2ccsc2)cc(C(=O)O)c1O 261140510 MZVLUZLLWRFEMJ-OKZBNKHCSA-N 442.497 3.163 0 1 IGAF COc1cc(N2CCN(C(=O)CN3Cc4ccccc4C3)CC2)ccc1-c1cnc(C)o1 299870613 WPDSVEVPBRTZRT-UHFFFAOYSA-N 432.524 3.323 0 1 IGAF O=S(=O)(NCc1nc2ccc(F)c(Br)c2[nH]1)c1ccc(F)c(F)c1F 587134367 POKAELLPNIPZIW-UHFFFAOYSA-N 438.200 3.360 0 1 IGAF O=S(=O)(c1cc(Br)cc(-c2nc3ccccc3[nH]2)c1F)N1CCOCC1 587139675 PAEGPWVAYGXCGS-UHFFFAOYSA-N 440.294 3.152 0 1 IGAF CC(C)[C@H](N)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 587258980 OJXSVFCCKYDWPX-HNNXBMFYSA-N 431.479 3.142 0 1 IGAF Cc1ccc(NC(=O)c2cc(F)cnc2O)c(N2CCN(Cc3ccc(F)cc3)CC2)n1 1857572617 RDWOITQWHFQRAR-UHFFFAOYSA-N 439.466 3.343 0 1 IGAF COc1ccc(-c2ccc3ncnc(N[C@H]4CCN(C(=O)C5CCOCC5)C4)c3c2)cn1 1857770380 LHHCESBQQZZQLT-IBGZPJMESA-N 433.512 3.140 0 1 IGAF COC(=O)c1ccc2nc(CO[C@@H]3CN(C(=O)c4ccc(Cl)cc4)C[C@@H]3F)[nH]c2c1 2356299352 HBEABLGZAWDTPC-MAUKXSAKSA-N 431.851 3.382 0 1 IGAF OC[C@H]1[C@H](Cc2ccnc(COc3ccccc3)n2)[C@H](NC2CCC(F)(F)CC2)C[C@H]1O 2356320529 OYUPCMBUIMUOBE-FNAHDJPLSA-N 447.526 3.124 0 1 IGAF C[C@@H](C(=O)N[C@H](C)Cc1ccccc1)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2111609 MCCLMFWJRSSHHP-KRXBEKAOSA-N 444.535 3.339 0 1 IGAF biogenic N=C(N)c1cc(/C=C\C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)ccc1F 13442335 NSYNZGISVSJCOQ-SDQBBNPISA-N 438.484 3.076 0 1 IGAF O=C(CC(c1ccccc1)c1ccccc1)N1CCN(S(=O)(=O)c2ccncc2)CC1 13729106 KTCLVXGQFKUEEA-UHFFFAOYSA-N 435.549 3.137 0 1 IGAF O=C(NCc1ccc(-c2ccccc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1 38210619 PSJYOQDMBWMKPS-UBFVSLLYSA-N 444.531 3.055 0 1 IGAF COc1ccc(CN2C(=O)[C@@H](C)[C@@]2(Cc2ccccc2)C(=O)NCCN2CCCCC2)cc1 72119720 LDQPALJBRSJBOF-ZBLYBZFDSA-N 449.595 3.257 0 1 IGAF CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NCCO)cc1 82210407 CIYFRPSBLWGAEK-LHMIDZBWSA-N 442.600 3.498 0 1 IGAF N[C@H](C(=O)N1CCC[C@H]1P(=O)(Oc1ccccc1)Oc1ccccc1)[C@H]1CSCN1 96167857 ZZODLYKNUUKPLE-AQNXPRMDSA-N 447.497 3.276 0 1 IGAF CC(C)=C[C@H]1O[C@@](C)(CC[C@@H]2OC(=O)C=C2C)[C@@H]2C(=O)[C@]3(O)[C@@H](C)CC[C@H]3[C@H](C)[C@]12O 143178974 UFFWLVBPDWIHBR-UTINRVGNSA-N 432.557 3.105 0 1 IGAF COc1ccc([C@@H]2[C@H](C(=O)c3ccco3)C(=O)C(=O)N2CCc2ccccc2)cc1OC 169687188 MLZAAXOETAHQQS-FGZHOGPDSA-N 433.460 3.491 0 1 IGAF CCN(c1nc(NC2=CCC3=CNN(CCCO)C3=C2)ncc1F)c1cccc2[nH]ncc12 263621190 WTARZSVAAGFJEN-UHFFFAOYSA-N 448.506 3.320 0 1 IGAF in-vitro C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCN(c5ccc(F)cc5)CC4)[C@@H]3[C@@H](O)[C@]21C 503967837 CCINPNZGQSKDQW-DVTBIXOMSA-N 428.548 3.233 0 1 IGAF biogenic O=S(=O)(c1ccc(Cl)c(-c2nc3ccc(Br)nc3[nH]2)c1)N1CCC1 586955070 FJWJPKHELLVPNX-UHFFFAOYSA-N 427.711 3.435 0 1 IGAF O=S(=O)(c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1)N1CCOCC1 587085772 GTNPEKBFXUKUHF-UHFFFAOYSA-N 428.901 3.452 0 1 IGAF CCOC(=O)[C@@H]1CCN(Cc2ccccc2)CC[C@]12N[C@H](C(=O)O)Cc1cccc(F)c12 962900149 HZWKMVHVJIGIPH-OWHZGTRUSA-N 440.515 3.095 0 1 IGAF COc1cc2c(cc1OC)[C@@H](c1ccnc3nccnc13)N(C(=O)c1ccccc1N)CC2 963146709 AAPCBLBPTVWUNA-HSZRJFAPSA-N 441.491 3.412 0 1 IGAF C[C@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2ccc3ccccc3n2)C1 1772603165 BLHOZGJZRGHHKF-OAHLLOKOSA-N 446.511 3.256 0 1 IGAF CCCCNC(=O)CSc1nc2ccccc2c(=O)n1C[C@H]1COc2ccccc2O1 2971202 AMFRKAFQIJKJSF-INIZCTEOSA-N 439.537 3.245 0 3 IGAF CCOC(=O)[C@H]1[C@H]2COc3ccccc3[C@@H]2N2C(=O)c3c(C)cc(C)cc3NC(=O)[C@@]12C 36387209 JWCQCMTTWKYWRC-IJUKNHKESA-N 434.492 3.399 0 3 IGAF CC1(C)C=Cc2c(ccc3c2[N+]([O-])=C2C3=C[C@@]34NC(=O)[C@]5(CCCN5C3=O)C[C@H]4C2(C)C)O1 3975528 ALXLLOQTGLPCFG-ATANMQQVSA-N 445.519 3.140 0 1 IGAF O=c1cc(-c2ccc3c(c2)O[C@@H](CO)[C@@H](c2ccc(O)cc2)O3)oc2cc(O)cc(O)c12 14442046 QGMULYBZWIWTIF-LADGPHEKSA-N 434.400 3.450 0 1 IGAF biogenic COc1ccccc1O[C@@H](c1cccc(I)c1)[C@@H]1CNCCO1 28881099 MGRHQJGGNQRJSA-ROUUACIJSA-N 425.266 3.408 0 1 IGAF O=C(NC1CCN(Cc2ccc3oc(O)nc3c2)CC1)c1cc(=O)c2ccc(F)cc2o1 36351872 XUBSUXYAIPDFRU-UHFFFAOYSA-N 437.427 3.173 0 1 IGAF Cc1cccc(Nc2cc(Nc3cccc(C(=O)N(C[C@H](C)O)C[C@@H](C)O)c3)ncn2)c1 39301229 TTWPSDZABVQRLN-HDICACEKSA-N 435.528 3.476 0 1 IGAF Cc1ncsc1CCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)[C@@H](C)CN2 82210900 YUVFQZDDNPYSPP-ZDUSSCGKSA-N 437.525 3.362 0 1 IGAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCCC1)CC31CCN(C)CC1 95666636 PNZZSWKYSPMYMQ-OAQYLSRUSA-N 425.573 3.216 0 1 IGAF COc1cc([C@H]2CC(c3ccc(N4CCOCC4)cc3)=NN2C(C)=O)cc(OC)c1OC 103205869 XFCGHIHDZXVMHS-OAQYLSRUSA-N 439.512 3.247 0 1 IGAF CN1CCc2c(n(C)c3cc(N4CCN(CCc5ccc(F)cc5)CC4=O)ccc23)CC1 115008844 FSMTXHUZZPSYSH-UHFFFAOYSA-N 434.559 3.239 0 1 IGAF COC[C@@H](C)Oc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)C3)n2)cc1OC 141904562 XARXPQIZVKMTDO-HZPDHXFCSA-N 437.496 3.234 0 1 IGAF NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(-c2ccc3[nH]ccc3c2)c1 147602046 HOTXPWMEDFTQKG-UHFFFAOYSA-N 427.507 3.283 0 1 IGAF CN1CCc2c3c(n(-c4ccc(C(N)=O)c(NCC(F)F)c4)c2C1)CC(C)(C)CC3=O 169307800 HEUKUPZJWOFYNZ-UHFFFAOYSA-N 430.499 3.396 0 1 IGAF CC(C)C(=O)[C@H]1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)[C@@H]1c1ccccc1OCCO 169695348 ILSPJTCPWPUOPY-FCHUYYIVSA-N 448.475 3.211 0 1 IGAF Cc1nc([C@@H]2CCOC2)c2c(N3CCc4nc(C5CC5)nc(C(F)(F)F)c4C3)ncnn12 169711719 HHGCSHMVFNJHMM-CYBMUJFWSA-N 445.449 3.186 0 1 IGAF COc1cc(Cl)ccc1CC1(F)CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 207081699 BYDVQJXWMGECPM-UHFFFAOYSA-N 429.945 3.434 0 1 IGAF CC(C)(CO)n1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccccc21 218243052 PLTGXHSSNWOOLU-UHFFFAOYSA-N 431.496 3.104 0 1 IGAF NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCN[C@@H](C(F)(F)F)C3)cc2n1 221612215 ZUPFJKSJZHRSRX-HXUWFJFHSA-N 432.421 3.476 0 1 IGAF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](C4=CC(=O)OC4)C(=O)C[C@]32O)C1 254092502 JIOXQMJNOROPDA-QKSBOXQASA-N 430.541 3.354 0 1 IGAF Cn1nccc1CS(=O)(=O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 586921441 IJPBCVZZSNUVNR-UHFFFAOYSA-N 426.342 3.449 0 1 IGAF COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)c2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587097276 KNCLHJWHNWIYSS-KXBFYZLASA-N 429.428 3.241 0 1 IGAF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccnc(O)c4[nH]2)cn3C2CC2)CC1 587172614 INDROIXCJVVYFS-UHFFFAOYSA-N 448.502 3.261 0 1 IGAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587230080 DYZRHPGDOIYBKP-UHFFFAOYSA-N 436.299 3.212 0 1 IGAF COC(=O)C1([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)CC(OC)(OC)C1 587812738 RWSSMNDQJQPRNM-GTNSWQLSSA-N 430.314 3.280 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(CS(N)(=O)=O)C3(C)C)N1 587841557 RDOGBDZJIZXOPQ-VMQKWGEKSA-N 445.398 3.433 0 1 IGAF C[C@H](NC(=O)[C@@H]1C[C@H]2C(=O)CC(C)(C)C[C@H]2NC1=O)c1noc(-c2ccc(Cl)cc2)n1 618014594 HOMMZIGEHJGCKC-BJKJVOPESA-N 444.919 3.077 0 1 IGAF Cc1cn(CCC(=O)O)c(C)c1[C@]1(C)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971243 HHIDZKHDXHLQMJ-XOBRGWDASA-N 426.847 3.374 0 1 IGAF Cc1cc(C)c(-c2csc([C@@H]3c4[nH]cnc4C[C@H]4C(=O)N5CCC[C@H]5C(=O)N43)n2)cc1C 963204156 LJSSEGUBINZBFP-ZJOUEHCJSA-N 447.564 3.306 0 1 IGAF CCN=c1nc(N2CC[C@H](NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2)cc[nH]1 1857593041 HGGIFNLRPYEBQB-LBPRGKRZSA-N 428.846 3.403 0 1 IGAF COc1ccc(NC(=O)c2cc(=O)c3cc(/C=C/C(=O)OCCN(C)C)ccc3o2)cc1 1857773471 IRXOULORBNCFOC-VZUCSPMQSA-N 436.464 3.172 0 1 IGAF OC[C@@H]1[C@H](O)C[C@@H](NCC2CCCCC2)[C@@H]1Cc1ccnc(COc2ccccc2)n1 2356600428 LPZHBLYFKADUTE-UEQSERJNSA-N 425.573 3.126 0 1 IGAF Cc1ccc2c(c1)N(C(=O)N1C[C@H](C)N[C@H](C)C1)Cc1c(C(=O)OC(C)(C)C)ncn1-2 13796012 VJJWDQAWGHONBZ-IYBDPMFKSA-N 425.533 3.258 0 1 IGAF CCOc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(CCCOC)CC(=O)N21 16032586 NEGUXDOKWLTZRU-PXDATVDWSA-N 447.535 3.288 0 1 IGAF biogenic Nc1nc2c(ncn2CCN2CCC(c3ccc(F)cc3)CC2)c2nc(-c3ccco3)nn12 28877524 ZBTZVICVXHBEBE-UHFFFAOYSA-N 446.490 3.335 0 1 IGAF N#Cc1cccc(NC(=O)NC[C@H]2C[C@H]3CCN2C[C@@H]3CN2CCc3ccccc3C2)c1 43527025 HIEFOSDZVXQPQC-NMVJMZGASA-N 429.568 3.448 0 1 IGAF biogenic COc1cc2nc(N(C)C[C@H](O)c3ccccc3)nc(NC[C@@H]3CCCO3)c2cc1OC 82125069 YNWGCVKRFOWXNP-PXNSSMCTSA-N 438.528 3.408 0 1 IGAF CCCCO[C@@H]1C[C@H](C(=O)NCCc2cccc(OC)c2OC)N(C(=O)c2ccco2)C1 82199406 MNAAZWILBCHUJW-RTBURBONSA-N 444.528 3.056 0 1 IGAF CC[C@H](Cn1nncc1CCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 95552900 IFBUOQDMVVSERY-LJQANCHMSA-N 437.544 3.134 0 1 IGAF O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCCCC2)O1)NCc1ccc(F)cc1 95887196 CEWCLCSAKAWIOS-YCAMKHIRSA-N 448.579 3.022 0 1 IGAF CO[C@]12CC[C@]3(C[C@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@@H]2O5 100308143 OIJXLIIMXHRJJH-SIGVZYARSA-N 425.569 3.388 0 1 IGAF CCCCNc1ncc(-c2cc(CN3CCOCC3)ccn2)c(N[C@H]2CC[C@H](O)CC2)n1 103242226 QBCMBQCPRNSFJE-BGYRXZFFSA-N 440.592 3.298 0 1 IGAF O=C(c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F)c1c[nH]c2ncncc12 113489365 NFYTUNJMFBDOIS-UHFFFAOYSA-N 432.383 3.407 0 1 IGAF O=C(c1ccccc1-c1ncccn1)N1CCO[C@H]1Cn1ccc(-c2ccc(F)cn2)n1 210584514 HLSJJFCXIUGENJ-NRFANRHFSA-N 430.443 3.040 0 1 IGAF CCN1C[C@@]2(C)CC[C@@H](OC)[C@]34[C@H]5C[C@H]6[C@H](OC)C[C@](OC)([C@@H]5[C@@H]6OC(C)=O)[C@H](C[C@@H]23)[C@H]14 255213547 GRAZPJAHYZSUQO-QCBHVGENSA-N 447.616 3.130 0 1 IGAF COc1cc2ncn(Cc3ccc(OCc4ccncc4)c(OC)c3)c(=O)c2cc1OC 299838639 QSGIOKOTKZLYFR-UHFFFAOYSA-N 433.464 3.445 0 1 IGAF CCOC(=O)C[C@]1([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 587397241 YPCOFBJGFIBSMO-CMJOXMDJSA-N 432.517 3.491 0 1 IGAF O=S(=O)(c1cccc2nsnc12)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 1260386852 GZLZUMQOYVEGCB-LTVCHDBBSA-N 430.599 3.275 0 1 IGAF CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(COC(=O)N3CCNCC3)c2cn1 1772657796 IECLISBCGWXBCN-UHFFFAOYSA-N 448.527 3.288 0 1 IGAF COCc1nnc(N2C[C@H]3C[C@@]3(c3ccc(F)cc3Cl)C2)n1-c1ccc(OC)nc1 1857553402 UYKVJQCPBDDIFD-LRTDBIEQSA-N 429.883 3.388 0 1 IGAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccncn3)cc2N2CC[C@@H](CN)C2)c1 1857596353 PKLARINHGWEPSR-MSOLQXFVSA-N 431.540 3.428 0 1 IGAF C[C@H]1SC(=N)N[C@](C)(c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F)[C@H]1F 1857598596 JWJQXZNLFNMIHE-AHRODOEDSA-N 425.436 3.387 0 1 IGAF CC=C(C)C(=O)O[C@H](C)[C@@](C)(O)C(=O)OC(C)(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 2356461204 YDSKNOVPIQXATI-NMCNPDOESA-N 444.480 3.067 0 1 IGAF S=C(Nc1ccccc1)N[C@@H]1CO[C@@H]2[C@H](Nc3nccc(C4CCCC4)n3)CO[C@H]12 2356838239 LRJNBOKMHVJHHD-UAFMIMERSA-N 425.558 3.068 0 1 IGAF C[C@H]1c2nc(C(F)(F)F)n(C)c2CCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 11687238 UWNIAWGZJAJVMQ-GXSJLCMTSA-N 434.384 3.262 0 1 IGAF Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2ccccc2N)n1 13527728 YWMITEJDOSKUIO-UHFFFAOYSA-N 447.520 3.330 0 1 IGAF CCOC(=O)C1=CN(C2CC2)c2cc(N3CCC4=C(C3)[C@@H](O)CCS4)c(N)cc2C1 49036179 ZQJSDLBHDJRCMP-NRFANRHFSA-N 427.570 3.203 0 1 IGAF O=C(c1ccncc1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@H]2C1 95866046 BTSNKRNUIDLFIL-XWVKAQFSSA-N 439.515 3.063 0 1 IGAF COc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)C5CCCCC5)C[C@@H]34)cc2)c1 95866288 JYZIRKKXAOIGHT-BFLUCZKCSA-N 448.563 3.440 0 1 IGAF O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cc1)c1ccn2ccnc2c1 98208049 YECCIJSXGJHBSG-UHFFFAOYSA-N 427.432 3.375 0 1 IGAF in-vitro CCOC(=O)[C@@]12[C@@H]3C=C[C@H](CC3)[C@]1(C(=O)c1ccccc1)C(=O)C(=O)N2c1ccccc1 102979508 JUMRKJSOTYPWAU-ZANFTXAPSA-N 429.472 3.370 0 1 IGAF Cc1nn(C2CCCCC2)c2sc(C(=O)N[C@H]3CC[C@H](CN4C(=O)CNC4=O)C3)cc12 114711046 NEHZQDDBZCRSJY-GJZGRUSLSA-N 443.573 3.362 0 1 IGAF c1ccc(-c2csc3ncnc(N4C[C@H]5C(COCCN6CCOCC6)[C@@H]5C4)c23)cc1 146559416 XDCVPHGVHMXIQT-RTBURBONSA-N 436.581 3.389 0 1 IGAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(Cl)ncnc2[nH]1 586956524 MVMIIMSPBJWSGH-UHFFFAOYSA-N 441.900 3.433 0 1 IGAF CCOC(=O)[C@@]1(CC(N)=O)CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586987920 VIYKQEUVOSVMFZ-RUZDIDTESA-N 430.460 3.164 0 1 IGAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587026695 HCHIRBBYEQLVRI-UHFFFAOYSA-N 444.538 3.200 0 1 IGAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587201875 CRBJWCZFVHZZFI-VIFPVBQESA-N 443.769 3.419 0 1 IGAF COC(=O)C[C@@]1([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC(=O)c2cc(C)cc(N)c2O1 587396637 VBJRVKAINRJBQK-IQMFZBJNSA-N 432.517 3.491 0 1 IGAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12C=C(CN1CCCCCC1)OCC2=O 587594166 LRGMSUTYYYCHEW-RCZVLFRGSA-N 435.476 3.452 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc3c(cc12)OCCCO3 587792874 MYNGNDCCKHWWAH-CFMSYZGJSA-N 433.277 3.479 0 1 IGAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H]3CC[C@@]2(CS(N)(=O)=O)C3(C)C)N1 587838310 BLLJSRYAEPWDCZ-KRGWDZPISA-N 445.398 3.433 0 1 IGAF Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C[C@@H]2CCCO2)[C@H](C)C(=O)N3C)cc1 1857746622 NJCKTHYQQQZAAB-AEFFLSMTSA-N 429.542 3.146 0 1 IGAF Nc1ncnc2c1c(-c1ccc3cc[nH]c3c1)cn2-c1ccc(OCCNCCO)cc1 1911573073 SQCHQUSSWKGEMI-UHFFFAOYSA-N 428.496 3.112 0 1 IGAF CCO[C@H]1O[C@@H](OCC)[C@@H](O)[C@@]1(O)CC[C@]1(C)[C@H](C)CC[C@]2(C)C(C(=O)O)=CCC[C@@H]21 2356486209 JFCPPPHVVNHFMB-FUDSDHGSSA-N 440.577 3.478 0 1 IGAF CC1(C)C=Cc2c(ccc3c4c([nH]c23)C(C)(C)[C@@H]2C[C@@]35CCCN3C(=O)[C@@]2(NC5=O)C4=O)O1 2356658026 CDJZXTFDGOKTOT-HKFLSJHISA-N 445.519 3.076 0 1 IGAF OC[C@H]1[C@H](Cc2ccnc(-c3ccccc3F)n2)[C@@H](NC2CCC(F)(F)CC2)C[C@H]1O 2356684111 LUMKPIFDYKDERC-JYAXBFRTSA-N 435.490 3.351 0 1 IGAF OC1(CNCc2ccccc2)CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1 26992736 XYDQALICSDUWGB-UHFFFAOYSA-N 444.583 3.298 0 1 IGAF CN(C)c1ccc(CN[C@@H]2CO[C@@H]3[C@@H](Nc4nccc(-c5cccs5)n4)CO[C@H]23)cc1 36369198 YSWMHCNDMWDLJN-NPDDRXJXSA-N 437.569 3.008 0 1 IGAF biogenic Cc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1S(=O)(=O)NCCc1ccccc1 40866847 IRVRVPZREUIHGN-UHFFFAOYSA-N 433.526 3.488 0 1 IGAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(NCCNC(C)=O)nc2-c2ccc(F)cc2)C1 82214983 YKCKRDBCBAXTMJ-NVXWUHKLSA-N 427.524 3.481 0 1 IGAF O=c1nc(NCCCCCCCCCCCF)ccn1[C@@H]1O[C@H](CO)[C@@H](O)C1(F)F 103255484 NFHXPQLRTJDONU-KBAYOESNSA-N 435.487 3.022 0 1 IGAF CCC[C@](C)(O)[C@H]1C[C@]23C=C[C@@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5 195413767 LOOHQOHHYOAWOS-OSSGTBNESA-N 425.569 3.467 0 1 IGAF COC(=O)[C@@]1(Cc2ccc(OC)cc2)CC(=O)O[C@@H]1c1cc(OC)c(OC)c(OC)c1 203532385 INFTVNCBSMJJQM-GGAORHGYSA-N 430.453 3.111 0 1 IGAF O=C(c1ccccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@H](COc1cnc3ccccc3n1)C2 226059671 JXQOMGQEVBBYNR-FIKGOQFSSA-N 426.480 3.283 0 1 IGAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(Br)cnc4[nH]3)c2)o1 586923773 VCOLSJPXKVZNAG-UHFFFAOYSA-N 448.302 3.307 0 1 IGAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 586958211 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25778099 OITDDRGMTMXSCY-UHFFFAOYSA-N 449.536 3.180 0 3 IGAF CC(=O)N1CCC2(CC1)C[C@@H](N(Cc1ccccc1)C(C)=O)c1cc(C(N)=O)ccc1O2 2492631 LAPYURCLDSCBTB-JOCHJYFZSA-N 435.524 3.039 0 1 IGAF CNC[C@H](O)c1ccc(O)c([C@]2(O)c3ccccc3-[n+]3ccc4c([nH]c5ccccc54)c32)c1 3875106 UGMSHHBPWHIIGZ-RPLLCQBOSA-O 438.507 3.154 0 1 IGAF COc1c2c(c(OC)c([C@H]3OC[C@@H]4[C@@H](c5ccc6c(c5)OCO6)OC[C@H]34)c1OC)OCO2 15271062 SVNJIRPWPFBSOX-UHIXZJCNSA-N 444.436 3.245 0 1 IGAF COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N[C@@H](C(=O)O)C(C)C)ccc23)cc1 15955816 KYTFQQBXLHFMBW-JOCHJYFZSA-N 425.437 3.073 0 1 IGAF biogenic O=C(N[C@@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@@H]2C1)c1ccncc1 25200862 FKWOPHFBLYLGKI-XLIONFOSSA-N 432.505 3.165 0 1 IGAF biogenic CCN1CCN(C(=O)[C@@H]2c3ccccc3C(=O)N(C)[C@@H]2c2cn(C)c3ccccc23)CC1 33591105 KJONCJWNGHJLMU-DNQXCXABSA-N 430.552 3.253 0 1 IGAF CCC(CC)NC(=O)c1cnn(-c2ccccn2)c1NS(=O)(=O)c1ccc(C)cc1 73168884 JESJFQSTKPDBFW-UHFFFAOYSA-N 427.530 3.295 0 1 IGAF CCc1nc(C(=O)N2CCC[C@@H]2C(=O)NC2CCN(Cc3ccccc3)CC2)cs1 82073160 DKGRXDPCZYEKSC-HXUWFJFHSA-N 426.586 3.091 0 1 IGAF NC1=N[C@]2(CO1)c1cc(-c3cncc(Cl)c3)ccc1O[C@H]1OC[C@H](OCC3CC3)C[C@@H]12 95571842 ZPBOQODCXCRRAT-GUBFDYSESA-N 441.915 3.492 0 1 IGAF CO[C@@]12C=C[C@@]3([C@H]4Cc5ccc(O)c6c5[C@@]3(CCN4CC3CC3)[C@H]1O6)[C@H]1[C@@H]2CC[C@]1(C)O 100576318 HEBLYOJAZBWIJZ-UYLQNVOFSA-N 435.564 3.164 0 1 IGAF CN(C)CCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2Cc2cccc(F)c2)CC3)cn1 143071925 VDGWZSVXAJBHRQ-UHFFFAOYSA-N 446.534 3.207 0 1 IGAF CC(C)Oc1ccc(Nc2nc(OCCO)nc(=O)n2Cc2ccc(Cl)cc2)cc1F 145577059 PHCRNZGGIOWYGF-UHFFFAOYSA-N 448.882 3.381 0 1 IGAF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C)cc(C)c3[nH]2)C(C)C)cc1 586932438 FHRZFNBXMYYAAJ-FQEVSTJZSA-N 428.558 3.491 0 1 IGAF CCOC(=O)c1cn(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nn1 587339806 FPNPIHDJVDVRKK-DENIHFKCSA-N 425.416 3.117 0 1 IGAF O=C1C[C@@H](c2ccc(S(=O)(=O)N3CCOCC3)cc2)Oc2c1ccc1c2CCCC1 587533309 RZNXCBBXSKYJJP-QFIPXVFZSA-N 427.522 3.293 0 1 IGAF CCOc1ccc(-c2nn(C(=O)c3ccnc(N)c3)c(=O)c3ccccc23)cc1OCC 587670811 IJHCEQPAYWRRHP-UHFFFAOYSA-N 430.464 3.527 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(NS(C)(=O)=O)c2)N1 587843362 YZWFMGUJOLCYNR-XTZNXHDOSA-N 443.338 3.463 0 1 IGAF COc1c([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)ccnc1Br 962972505 JBUWJKUCPWDWSG-GXFFZTMASA-N 433.636 3.473 0 1 IGAF CCOc1cc([C@@H]2NCCc3cnc4c(OC)cccc4c32)c(Cl)cc1OCC(N)=O 963056712 LWFPGVRELHIRBJ-QHCPKHFHSA-N 441.915 3.395 0 1 IGAF Cc1cc2c(cc1Cl)C(=O)[C@H]([C@@H]1N[C@@H](C(=O)O)Cc3c1cnc1ccccc31)C(=O)O2 963222110 GGHSKGPLXRJMLQ-YZGWKJHDSA-N 436.851 3.255 0 1 IGAF Cc1c(O)ccc2c1[C@]1(Cc3ccccc3N(C(N)=O)c3ccccc31)N[C@H](C(=O)O)C2 963513095 XYTJGQWTRZUONS-AVRWGWEMSA-N 429.476 3.316 0 1 IGAF CC[C@@H](N[C@@H](C)CC(N)=O)c1ccc(Cl)c(C(=O)c2ccc3c(c2)OCC(=O)N3)c1F 1772602995 IXUWJZNSNBEETR-XHDPSFHLSA-N 447.894 3.346 0 1 IGAF C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)cc1 1772650329 CCTBJDITRFEIRW-SFHVURJKSA-N 443.569 3.305 0 1 IGAF C[C@H]1CO[C@@H](c2ccc(=N)[nH]c2)CN1C[C@@H]1C[C@H]1CCNC(=O)c1cc2ccccc2[nH]1 1857539673 JQBHQHNVJCDNEL-XLJIZYSNSA-N 433.556 3.193 0 1 IGAF Cc1cc(O)cc2oc(=O)cc(CNCc3cn(-c4ccc(Br)cc4)nn3)c12 1857545635 WTLSHSKMWXGGSF-UHFFFAOYSA-N 441.285 3.440 0 1 IGAF CC(C)C1(C(C)C)NC(=O)N(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O 1857545956 PMLWYJAEYMEFEC-UHFFFAOYSA-N 426.483 3.388 0 1 IGAF Cn1nc(COc2cc(F)cc(F)c2)c2c1CCN(C(=O)NC(=O)c1ccccc1)C2 1857612514 WJZCRZCDFUVNTN-UHFFFAOYSA-N 426.423 3.185 0 1 IGAF COc1cc(C(=O)c2cnn(-c3cccc(Br)c3)c2N)cc(OC)c1OC 1857774673 BMCVQWMDFNFFMD-UHFFFAOYSA-N 432.274 3.474 0 1 IGAF CSCC(=O)N[C@H]1CCN2C(=O)c3cc(C=Cc4ccccc4)ccc3NC(=O)[C@@H]2C1 2356821853 GFJHVBMVJUSHAZ-RXVVDRJESA-N 435.549 3.262 0 1 IGAF C1=CC(c2noc([C@H]3CCCN3Cc3cnc4ccccc4c3)n2)=CN[C]1N1CCOCC1 2356856454 OTTVVSSCPQWIDX-JOCHJYFZSA-N 443.531 3.277 0 1 IGAF Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](c2ccc(F)cc2)N2CCCCC2)cc1 4399807 GGFPAXGRZMKOGH-FQEVSTJZSA-N 429.521 3.127 0 3 IGAF CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)Nc2cccc(CC(=O)O)n2)n1 3786732 FYLZOSXWARIMAR-UHFFFAOYSA-N 449.463 3.406 0 1 IGAF O=C1N(CC2CC2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CC1CC1 3810793 YMTOUOZOBVYCFQ-XPGKHFPBSA-N 434.580 3.488 0 1 IGAF COc1ccc(-c2cc(=O)oc3cc(OCC(=O)N[C@H](CC(C)C)C(=O)O)ccc23)cc1 15955618 YLEDYFTXVFSBPQ-HXUWFJFHSA-N 439.464 3.463 0 1 IGAF biogenic CCCS(=O)(=O)N1CCC(CNC(=O)c2ccccc2OC)(c2ccccc2)CC1 33965068 PECPBMYKIMRBPK-UHFFFAOYSA-N 430.570 3.199 0 1 IGAF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN1CCN(Cc2ccccc2)CC1 40950818 RADKAYOXSIZUCF-BJKOFHAPSA-N 439.600 3.301 0 1 IGAF O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1C1CCCC1 101584757 VMTZDIHMLVWUQZ-KVYSJVSXSA-N 426.561 3.004 0 1 IGAF COCc1cnc(C(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)c2)c(Cl)c1 113659892 AGGCPSHNHGXPJR-IBGZPJMESA-N 442.825 3.121 0 1 IGAF C[C@@H](c1ccc(-c2ccc(C3(C(N)=O)CC3)nc2)cc1)N1CC[C@]2(CC[C@@H](O)C2)OC1=O 141541596 GSSWVCZFLUIOHD-GANZUKCXSA-N 435.524 3.452 0 1 IGAF CNC(=O)c1c(-c2ccc(F)cc2)nn2cc3c(cc12)[C@@H](C)CCCN3S(C)(=O)=O 143369255 MUYFPUCQPPQXAB-ZDUSSCGKSA-N 430.505 3.163 0 1 IGAF COCCOc1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC4CC4)c3n2)c1 169704174 NZFWYKNHDNDHFJ-HXUWFJFHSA-N 439.491 3.127 0 1 IGAF CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)cc1F 216201073 VGLSLQMDHQYBDV-OBJOEFQTSA-N 432.945 3.466 0 1 IGAF COc1ccc([C@@H]2C=C3CNS(=O)(=O)[C@@H]3C[C@H]2OC(=O)c2ccc(Cl)cc2)cc1 253917004 AUWPSWVHPMLLIK-XUVXKRRUSA-N 433.913 3.290 0 1 IGAF COc1ccccc1N1CCN(C[C@@H]2COC3(CCN(Cc4ccccc4)CC3)O2)CC1 299835783 LRLMUKKGKWCSTQ-HSZRJFAPSA-N 437.584 3.225 0 1 IGAF CN1CC(S(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CCOC(F)(F)F)C1 299836484 NJOKUHDUKSQXRM-UHFFFAOYSA-N 433.496 3.249 0 1 IGAF Cc1nn(C)c2sc(C(=O)N[C@H](C)c3nc4ccc(CN5CCOCC5)cc4[nH]3)cc12 587037989 ONSAJVCJZLDKBT-CQSZACIVSA-N 438.557 3.143 0 1 IGAF CC(C)(C)OC(=O)N1C[C@]2(C[C@H]1C(=O)O)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587584435 YASINWQXECLGAP-KNUWZQJKSA-N 441.436 3.187 0 1 IGAF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(C)CC(N)=O 962990393 IEFNHXQGEYVGFF-QHCPKHFHSA-N 444.915 3.106 0 1 IGAF CCOC(=O)c1nocc1[C@]1(c2ccc(F)cc2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963034229 YGQMLEYEDQIGDW-JBEBIEQOSA-N 435.455 3.336 0 1 IGAF C[C@H](NC(=O)CO)c1ccc(CN2CC(=O)c3cc(OC[C@H]4CC4(F)F)ccc3C2)cc1 1772611483 ZWMGEZKYTILYBN-HNAYVOBHSA-N 444.478 3.089 0 1 IGAF CN1C[C@H](N=c2[nH]c3cc[nH]c3c(=O)n2C)C[C@H](c2ccc(Oc3ccccc3)cc2)C1 1857533987 GVHCILCLTWXBGA-RBUKOAKNSA-N 429.524 3.376 0 1 IGAF C[C@@]1(C(=O)NS(=O)(=O)c2cccs2)CCN1C(=O)Cc1ccc(Cl)cc1Cl 61928554 GXXFVKDIVVCODV-KRWDZBQOSA-N 447.365 3.094 0 3 IGAF COc1ccc(C)c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3cccnc23)c1 95555798 GVGXBKHGUARVSG-IBGZPJMESA-N 425.510 3.344 0 3 IGAF COc1ccc(CN2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1 24119362 OLEBDHFJFRHPFI-UHFFFAOYSA-N 439.600 3.062 0 1 IGAF COc1ccccc1CCN1CCC2(CC1)CC(=O)c1ccc(NS(C)(=O)=O)cc1O2 26739292 QBFJWYVQWOPOQH-UHFFFAOYSA-N 444.553 3.109 0 1 IGAF COc1cc2nc(N(C)CCCCCCNC(=O)c3ccco3)nc(N)c2cc1OC 27634448 DWWWSHCYTJWMJU-UHFFFAOYSA-N 427.505 3.249 0 1 IGAF CC(=O)O[C@H]1C[C@@]2(O)C(C)(C)CC[C@H](OC(C)=O)[C@]2(C)[C@H]2Cc3occc3[C@](C)(O)[C@H]12 35819273 ZUOSXOQNJTXIGG-XWVCWXBLSA-N 434.529 3.100 0 1 IGAF biogenic,in-vitro COc1cc(-n2ccnc(OCCc3ccccc3)c2=O)ccc1OCCN1CCCC1 40892599 KSQKNCXHKSMPJW-UHFFFAOYSA-N 435.524 3.337 0 1 IGAF C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(F)ccc32)CC1)NC(=O)c1ccc(F)c(F)c1 72136005 ZAAQLYAZEYYWIE-ZDUSSCGKSA-N 432.446 3.202 0 1 IGAF COc1ccc(CNc2nc(N3CCOCC3)nc3cc(OC)c(OC)cc23)cc1OC 82126865 IBBGUPKYMZVPCU-UHFFFAOYSA-N 440.500 3.113 0 1 IGAF O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2Cc2cc(-c3ccccc3)on2)O1)c1ccc2c(c1)OCO2 95798353 DTAAIQNCHKUQGI-DCLXLUIPSA-N 447.491 3.232 0 1 IGAF O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCN(CCc2ccccc2)CC1 103173549 FDECQAPGGPAENB-UHFFFAOYSA-N 433.577 3.318 0 1 IGAF Cc1cnc(-c2cc(N3CCn4cc(CN5CCOCC5)nc4C3)ncc2Cl)c(C)c1 146443318 TUNZLIIQCKXKEA-UHFFFAOYSA-N 438.963 3.463 0 1 IGAF CCOc1cccc([C@@H]2[C@@H](C(=O)c3ccc(C)o3)C(=O)C(=O)N2CCCn2ccnc2)c1 169690257 GMIKCUFMVOKNQU-LEWJYISDSA-N 435.480 3.225 0 1 IGAF COCCOc1ccccc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21 220200994 RUXYDDCPQFICQZ-UHFFFAOYSA-N 447.538 3.500 0 1 IGAF CCCCCCC1=NO[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)[C@H]1C(=O)N[C@H](C)CN(C)C 299873830 AJRZUBMESRQFRN-PUCZYUMASA-N 448.520 3.404 0 1 IGAF CN1CCN(c2ccc3nc(-c4cc(S(=O)(=O)N5CCC5)ccc4Cl)[nH]c3c2)CC1 586954554 CRJUNEHIVILXFG-UHFFFAOYSA-N 445.976 3.030 0 1 IGAF CC[C@@H](c1nc2nc(Br)c[nH]c-2n1)n1cc(I)c(C)n1 587185765 NXOLVZRJTHSUTG-QMMMGPOBSA-N 447.078 3.176 0 1 IGAF COC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OC)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352558 OZSFLEMWXLTNHV-PDPLOHQNSA-N 428.412 3.001 0 1 IGAF COc1cc2c3c(c1)O[C@@](CCN1CCC(N)CC1)(c1ccc(Cl)nc1)[C@@H](C2)C3=O 587421690 QZBGXEHZYBMRHH-MBSDFSHPSA-N 427.932 3.200 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)(C(O)O)N1 587678637 KVIVSNOETQAGIS-VVVCHXIZSA-N 445.126 3.439 0 1 IGAF COC[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4ncsc4C3)c2cn1)c1ccccc1 1772582225 WNEBUFUSSPCDRO-GOSISDBHSA-N 449.540 3.486 0 1 IGAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(NC(=O)CNC(C)=O)cc21 1857580016 AMEICVSIBMHDIV-UHFFFAOYSA-N 442.519 3.415 0 1 IGAF CCOC(=O)C1=CN(S(=O)(=O)c2ccccc2)C=C(C(=O)OCC)C1c1ccccc1 1857610956 YFNQMJGHFNCFEB-UHFFFAOYSA-N 441.505 3.369 0 1 IGAF COc1cc2oc(C(=O)NCC3CCN(Cc4ccccc4)CC3)cc(=O)c2cc1OC 1857774936 HLYHYHXLXCHNNE-UHFFFAOYSA-N 436.508 3.452 0 1 IGAF COc1ccc(S(=O)(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C[C@H]2CCCO2)cc1 8671082 ZXINOTLEMHXDDI-HXUWFJFHSA-N 442.537 3.215 0 3 IGAF Sc1nn2c(CCCCCCCCc3nnc4sc(S)nn34)nnc2s1 1862007 MPOOMERQSHBQMG-UHFFFAOYSA-N 426.622 3.388 0 1 IGAF Cc1c(C(=O)NC[C@@H]2CCCO2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12 2931395 NRMSICVOSPHTTA-SFHVURJKSA-N 437.569 3.235 0 1 IGAF COc1ccc(CCN2CC(=O)N3[C@@H](C)c4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1OC 26772004 VWYAVAOJXXYWFJ-MGPUTAFESA-N 433.508 3.084 0 1 IGAF biogenic CC(C)Oc1ccccc1N1CCN(Cc2cccc(C(=O)N3CCC(O)CC3)c2)CC1 29563855 QOPODAWBTQRJNF-UHFFFAOYSA-N 437.584 3.393 0 1 IGAF COc1cc([C@]23OC[C@H](Cc4cc5c(cc42)OCO5)[C@H]3COC(C)=O)cc(OC)c1OC 40812773 RBZHDMQPGUEKHK-MBSHLRGSSA-N 442.464 3.067 0 1 IGAF CN(c1ccc(NC(=O)[C@](C)(O)C(F)(F)F)c(Cl)c1)S(=O)(=O)c1ccccc1 40952259 LRIXMTVCKAOMMS-INIZCTEOSA-N 436.839 3.417 0 1 IGAF O=C(C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)c1c[nH]c2ccccc12 45245124 ZPCUHILUFXYJNY-UHFFFAOYSA-N 440.297 3.098 0 1 IGAF O=C(O[C@H]1Cc2ccccc2C[C@H]1OC(=O)c1cc(O)cc(O)c1)c1cc(O)cc(O)c1 45364622 SYNDNVXTTZJXLZ-SZPZYZBQSA-N 436.416 3.059 0 1 IGAF Nc1cccc(N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)CC2)c1 64540275 BLOOOKDVZQKAGR-UHFFFAOYSA-N 426.386 3.364 0 1 IGAF Cc1c2c(n3c1CCCN(C)C(=O)[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O 66156800 QPCQIBFESZKAHD-HNNXBMFYSA-N 436.556 3.245 0 1 IGAF in-vitro COCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2cc(OC)c(OC)c(OC)c2)n1 82144513 XBYNQTQRNKTWQY-UHFFFAOYSA-N 444.532 3.100 0 1 IGAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2OC[C@H](C)NC[C@@H]1C 95688529 VMZAIKVTLMIHQJ-HOIFWPIMSA-N 440.544 3.424 0 1 IGAF COC(=O)c1sc(Cl)cc1S(=O)(=O)N1c2cc(Cl)ccc2NC(=O)[C@H]1C 103298622 CLKSTHOPZSIIER-SSDOTTSWSA-N 435.310 3.377 0 1 IGAF COc1ccc(-n2c(SCc3cc(=O)n4c(C)cccc4n3)nc3nncc-3c2O)cc1 103976170 LBLFVOIWWXLXSF-UHFFFAOYSA-N 446.492 3.090 0 1 IGAF C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=O)(=O)C(F)F)cc2)ncc1C(F)(F)F 118163094 CDKIUTDNGTUHKC-RKDXNWHRSA-N 441.378 3.383 0 1 IGAF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cccnn3)[nH]c12 205654183 HFPYBAKQOHIPMI-UHFFFAOYSA-N 439.483 3.130 0 1 IGAF Cn1cnc(S(=O)(=O)N2C[C@@H](Nc3cccc(Cl)c3)[C@H](c3ccc(F)cc3)C2)c1 225837843 KAWLEQDIBOZKFD-RBUKOAKNSA-N 434.924 3.481 0 1 IGAF COC(=O)c1ccnc2[nH]c(C3CCN(S(=O)(=O)c4ccc(C(C)C)cc4)CC3)nc12 586955638 UKTBFHRMKXFOQO-UHFFFAOYSA-N 442.541 3.436 0 1 IGAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccc(S(N)(=O)=O)cc3[nH]1)N2 587031446 NSSZZQUPORKUIE-FBWGLTFQSA-N 449.583 3.337 0 1 IGAF NS(=O)(=O)c1ccc2[nH]c(-c3ccc(C(F)(F)F)nc3OCC(F)(F)F)nc2c1 587092076 RMSSEEWBRFLSHP-UHFFFAOYSA-N 440.325 3.232 0 1 IGAF CC(C)OC(=O)C1(c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC(F)(F)C1 587129961 ANDCWFWOKAGORO-UHFFFAOYSA-N 426.363 3.475 0 1 IGAF COC(=O)c1ccc(Oc2ccc3nc([C@@H](N)Cc4cccc(C(N)=O)c4)[nH]c3c2)cc1 587260521 SLJYIYZALMEWEC-IBGZPJMESA-N 430.464 3.483 0 1 IGAF O=C(CC[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O)NC1CCCCC1 653833333 DJDWNBGULWSWLG-NRFANRHFSA-N 444.553 3.314 0 1 IGAF COC(=O)C[C@@]1(c2ccncc2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177485 CZHAXLKMXYNTHL-ACJLOTCBSA-N 428.794 3.159 0 1 IGAF N=c1[nH]c(CCCCOc2cccc(OCC(=O)O)c2)c(-c2cccc(Cl)c2)c(=N)[nH]1 1857548286 JQCFPOMNYMGXQQ-UHFFFAOYSA-N 442.903 3.487 0 1 IGAF Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H]2Cn2ccc(-c3ccc(F)cn3)n2)c1 1911576342 OMTCPGOATBMMKY-GOSISDBHSA-N 431.475 3.278 0 1 IGAF CC[C@@H]1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NC3CCCC3)c2c1 8662122 QSGGIUJTFGJBRE-MRXNPFEDSA-N 431.558 3.154 0 1 IGAF O=C1C[C@]2(N1)C(=O)N(Cc1nc3cc(C(F)(F)F)ccc3s1)C(=O)c1ccc(F)cc12 13601466 QVTBUTYCMLEPQV-LJQANCHMSA-N 449.385 3.352 0 1 IGAF CCN(CC)c1nc(NCCNC(=O)c2cc(O)c(OC)c(OC)c2)c2ccccc2n1 40465867 GHYLHOMGXPTKRX-UHFFFAOYSA-N 439.516 3.041 0 1 IGAF CCCCNC(=O)CC[C@@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)NCCCC 49050305 UGXZNKTWFHKFEE-HXUWFJFHSA-N 447.601 3.100 0 1 IGAF O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1C1CCCC1 95573421 VMTZDIHMLVWUQZ-XANBXHNASA-N 426.561 3.004 0 1 IGAF in-vitro CN(C)C(=O)N[C@H]1CC[C@H](CCN2[C@H]3CC[C@@H]2C[C@H](Oc2cccc(C(N)=O)c2)C3)CC1 101363722 ZNKQZQCGGXGVRU-AGMAZQPASA-N 442.604 3.380 0 1 IGAF O=C(CCN1CCCCC1)N1CC(Oc2ccc(NC(=O)N3Cc4ccncc4C3)cc2)C1 166489451 UFUJZFQOXFRIQF-UHFFFAOYSA-N 449.555 3.095 0 1 IGAF O=C(O)CCC/C=C\C[C@H]1[C@H](O)C[C@@H](O)[C@@H]1SC[C@@H](O)COc1cccc(Cl)c1 169293022 KFUDFIMHDRJVLV-OWZMMKBFSA-N 444.977 3.124 0 1 IGAF in-man O=C(CC(F)(F)F)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 261124425 KAEYIPLTXHGZRS-QAQDUYKDSA-N 440.510 3.156 0 1 IGAF CN1CCC[C@@H]1COC(=O)[C@H]1CCCN(C(=O)c2csc(Nc3ccccc3)n2)C1 299885684 VVECSMSTSNNLAX-FUHWJXTLSA-N 428.558 3.376 0 1 IGAF COC(=O)C(=O)C[C@]1(c2ccncc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339754 QXOVBJYOHAAQEV-XUZZJYLKSA-N 435.407 3.313 0 1 IGAF CC(C)(O)[C@]1(c2ccc(OCCO)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594774 IXWTWFVOWPWVLW-SQJMNOBHSA-N 436.460 3.391 0 1 IGAF CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OCC(N)=O 587749596 POHALUMBNNEPHF-GIPWTMENSA-N 437.309 3.475 0 1 IGAF COc1ccccc1N1CCN(CCCCCCN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O)CC1 1911581711 XACKNAOULJGCTD-XZOTUCIWSA-N 439.600 3.409 0 1 IGAF COC(=O)[C@@H]1CC2=C(CN1Cc1ccc(C(=O)O)cc1)N(Cc1ccc(Cl)cc1)[CH]N2 2356318231 AITVFYMULJTTBZ-FQEVSTJZSA-N 440.907 3.222 0 1 IGAF CC(C)NC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC(=O)N3CCCCC3)[C@H](O)CC[C@@H]2[C@@]1(C)CO 2356322482 JNURGVMCVLQXQM-WLZGJCBXSA-N 438.609 3.078 0 1 IGAF COc1cc2c(cc1OC)[C@H](C(=O)Nc1cccc(C)n1)[C@H](c1cccnc1)N(C)C2=O 3958484 YZHNTCMHCNIXKH-VXKWHMMOSA-N 432.480 3.351 0 3 IGAF COCCCNC(=O)c1cccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)c1 2111386 LUBNRPZHVCSVNV-RUZDIDTESA-N 446.507 3.174 0 1 IGAF biogenic CC(=O)N(C[C@H]1CCCO1)[C@@H]1CC(C)(C)Oc2ccc(C(=O)NC[C@@H]3CCCO3)cc21 5070503 ULTJLNFYGOFNHJ-QKNQBKEWSA-N 430.545 3.225 0 1 IGAF COc1cc(C[C@@H]2C(=O)OC[C@H]2Cc2cc(OC)c(OC)c(OC)c2)cc(OC)c1O 14437752 RSRURHUUEQLLQS-CVEARBPZSA-N 432.469 3.010 0 1 IGAF biogenic COc1cc([C@@H]2CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2)cc(OC)c1OC 15271415 CILDMLWCNDIKLD-ZDUSSCGKSA-N 434.441 3.453 0 1 IGAF biogenic OCCN1CCN(Cc2ccc3c(c2)CN(Cc2ccc4ccccc4c2)CCO3)CC1 20207370 WXGCZKXCATXSMJ-UHFFFAOYSA-N 431.580 3.344 0 1 IGAF O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2n1S(=O)(=O)c1ccccc1 36473680 NMVXSZDFDXECQK-UHFFFAOYSA-N 431.473 3.112 0 1 IGAF Cc1ncccc1Oc1ncnc(OC2[C@@H]3COC[C@H]2CN(C(=O)OC(C)C)C3)c1C 71316927 RDCVTCCVZBQMNZ-JJTKIYQPSA-N 428.489 3.151 0 1 IGAF COc1cccc(CCNc2nc(N3CCC(O)CC3)nc3cc(OC)c(OC)cc23)c1 82127845 MSILBKYJFDWKCE-UHFFFAOYSA-N 438.528 3.271 0 1 IGAF CC(C)c1ccc(/C=C/C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NCCO)cc1 82192288 UAUZWQMZFSTYSH-LHMIDZBWSA-N 436.552 3.118 0 1 IGAF C/C=C(\C)C(=O)N1C[C@H](OCCCC)C[C@H]1C(=O)NCc1cc(OC)c(OC)c(OC)c1 82199161 BNQKNKMJCWJENX-KBIJSGNWSA-N 448.560 3.081 0 1 IGAF CCOc1ccccc1-c1ccc2nc(NC(=O)NCCN3CCNCC3)sc2c1 95604673 DZDUTNLSSQXEMT-UHFFFAOYSA-N 425.558 3.389 0 1 IGAF COC[C@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C 101500502 CPGPEVNIOCXOPN-WTLGNFPFSA-N 435.532 3.130 0 1 IGAF O=[N+]([O-])c1ccc(NCCNc2ncc(-n3ccnc3)c(-c3ccc(F)cc3F)n2)nc1 166870432 NSZKNGLSUKZXNQ-UHFFFAOYSA-N 438.398 3.435 0 1 IGAF CO[C@@H]1/C=C/C=C/C=C\C[C@@H](O)C[C@@H](O)C/C=C\C=C/C=C\C(=O)O[C@@H](C[C@@H](C)O)C1 169293528 SZPWNRYGTQYOLD-ZJPHFEDZSA-N 432.557 3.317 0 1 IGAF COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(N2CCCCC2)n1 169705150 NYZWBZUALYALLD-UHFFFAOYSA-N 431.924 3.345 0 1 IGAF CNC(=O)C1=C(C)[C@@H]2Sc3ccccc3N=C2[C@H](C(=O)NC)[C@@H]1c1ccc2c(c1)OCO2 169720545 WJCRDUKXPXJTRI-SJBKTWHCSA-N 449.532 3.184 0 1 IGAF N#Cc1c[nH]c2ncnc(N3CC[C@H]3c3nn4ccc(Cl)c4c(=O)n3-c3ccccc3)c12 208097667 LNFWSNQWRMMEBJ-INIZCTEOSA-N 442.870 3.233 0 1 IGAF CCS(=O)(=O)N1CCC(N(C)C(=O)N[C@H]2CC[C@H](c3cc(F)cc(F)c3)CC2)CC1 253868432 ALOWGHBVYUDPGD-RHDGDCLCSA-N 443.560 3.447 0 1 IGAF O=c1ccc2ncc(F)cc2n1CCN1CCC(NC(=S)Nc2ccc(F)cc2)CC1 299830066 MAKGSLCIXVDVSE-UHFFFAOYSA-N 443.523 3.126 0 1 IGAF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586937655 RKLMDZPRTQZINK-QGZVFWFLSA-N 432.571 3.037 0 1 IGAF COC(=O)c1cc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2cn1 586962533 XPDFSAWKJGBTIA-KPOBHBOGSA-N 440.525 3.439 0 1 IGAF Cc1nn(C)c(SCC(=O)O)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612969 LVCBFQCSKMJYQA-YLJYHZDGSA-N 426.450 3.314 0 1 IGAF COc1cc(OC)cc(C(=O)Nc2nc(-c3cccnc3)c(N3CCN(C)CC3)s2)c1 1857542965 CLUNQXQZCLQBSZ-UHFFFAOYSA-N 439.541 3.226 0 1 IGAF CC(=O)N1CCC2(CC1)C[C@H](N(Cc1ccccc1)C(C)=O)c1cc(C(N)=O)ccc1O2 2492633 LAPYURCLDSCBTB-QFIPXVFZSA-N 435.524 3.039 0 1 IGAF O=C(Cn1cccc(NCc2ccccc2)c1=O)NC1CCN(Cc2ccccc2)CC1 43122016 ZLCWGDJPOPGXQR-UHFFFAOYSA-N 430.552 3.241 0 1 IGAF C[C@H](O)C/C=C/C=C/C=C/C(=O)O[C@@H]1C=C2COC(=O)[C@]2(O)[C@@]2(C)CCCC(C)(C)[C@H]12 49033464 ZHQUHDHFPDBIHU-CAIFHESVSA-N 430.541 3.398 0 1 IGAF Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1cnc(CO)cn1 49045829 LQOLVCAWVIQPRR-UHFFFAOYSA-N 438.228 3.048 0 1 IGAF CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)CCN(C(C)C)C3)cc1 95589090 RWSCHRBISRWGQQ-KRWDZBQOSA-N 438.576 3.277 0 1 IGAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCCCC3)cc2OC[C@H](C)NC[C@H]1C 95679397 ZOCREZASRFSTET-JLHGSKIFSA-N 431.577 3.299 0 1 IGAF O=C1C[C@@H](c2ccccc2Br)C(=O)N1CN1CCN(Cc2ccccc2)CC1 103009811 FFQHYYBTWDNOOC-IBGZPJMESA-N 442.357 3.067 0 1 IGAF Cc1cccc(CCNC(=O)c2ccc(C/N=c3/c(N4CCCCC4)c(O)c3=O)cc2)c1 103586722 LMLPXTMZOWWMRN-SLMZUGIISA-N 431.536 3.000 0 1 IGAF CS(=O)(=O)c1ccc(O[C@H]2c3c(Cl)cc(Cl)cc3C[C@@H]2N2CCNCC2)cc1 118260240 OADSYGZOQFVGHX-AZUAARDMSA-N 441.380 3.347 0 1 IGAF CC[C@@H](NC(=O)c1cc(C(=O)N2CCC[C@H]2C(C)(C)O)n2c1COCC2)c1ccccc1 146107788 XMZXKWPPTUDBDA-KNQAVFIVSA-N 439.556 3.275 0 1 IGAF O=C(C[C@H]1CCCO1)N[C@H]1CC[C@H](CCN2CCN(c3cccc4c3OCO4)CC2)CC1 147703126 FIMDFCHHYZMXDV-QHAWAJNXSA-N 443.588 3.172 0 1 IGAF C[C@@H](O)C(=O)N[C@@H]1CCC[C@H](Nc2nc(-c3c[nH]c4ncc(Cl)cc34)ncc2F)C1 165749825 BRSBILSERAJLMC-KGYLQXTDSA-N 432.887 3.033 0 1 IGAF Cc1cc(CN2CCCC2)ccc1C(=O)Cn1ncc(OCc2ccc(F)cn2)cc1=O 169711362 ARVXJNPXERHRBO-UHFFFAOYSA-N 436.487 3.144 0 1 IGAF COC(=O)c1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[nH]c2ccc(S(C)(=O)=O)cc12 587651112 KYPNLEODMRWHDU-CYBMUJFWSA-N 436.530 3.473 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS(=O)(=O)N(C)c3ccccc32)N1 587844619 ONCSNTYQSWIDNH-ZMZPIMSZSA-N 425.323 3.146 0 1 IGAF O=C1Cc2c3c(n(-c4ccc(F)c(C(=O)OCc5ccccc5)c4F)c2O1)OC(=O)C3 587943551 IGUGEVALIUQOND-UHFFFAOYSA-N 425.343 3.036 0 1 IGAF CN1CCN(c2cccc(Br)c2[C@@H]2N[C@H](C(=O)O)Cc3cccc(F)c32)CC1 962897349 MIQQMVBQVUUHJY-OXJNMPFZSA-N 448.336 3.028 0 1 IGAF COc1cccc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](NC[C@@H]2CCCO2)C4)c1 1772577812 OLFFXISJVSENKJ-AEFFLSMTSA-N 425.554 3.141 0 1 IGAF Nc1c(C(=O)NCCc2ccc(N3CCNCC3)cc2)sc2nc3c(cc12)CCCC3 1857587733 FKBAJGWCIJRXDA-UHFFFAOYSA-N 435.597 3.139 0 1 IGAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCN(c2ccccc2)CC1)Nc1ccccc1 2356494511 FYNRVXULPGGACF-TZBSWOFLSA-N 433.600 3.341 0 1 IGAF CC(C)=CC[C@@H](C=C(CO)CCO)C(=O)OCC(=C[C@@H](CC=C(C)C)C(=O)O)CCO 2356803847 XMHHAYPLVIDZIX-YADHBBJMSA-N 438.561 3.169 0 1 IGAF COc1ccc(-c2cccc3c2O[C@H](CNC(=O)c2ccccc2-n2cccn2)C3)nn1 12031168 CFAUVOJLCZDXBG-KRWDZBQOSA-N 427.464 3.071 0 1 IGAF COc1cc([C@H](c2cc(OC)c(OC)c(OC)c2)[C@H]2COC(=O)[C@@H]2C)cc(OC)c1O 15044815 VGMOUMWYTMZSAT-UFAGZECESA-N 432.469 3.376 0 1 IGAF biogenic C[C@@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCc3ccccc32)CC1 26277334 RDLUEGIXKAVUIY-HOYKHHGWSA-N 444.579 3.049 0 1 IGAF CS(=O)(=O)Nc1cc([C@@H](O)CNC(Cc2ccccc2)Cc2ccccc2)ccc1O 26819687 SAOLMWVZETVVJP-DEOSSOPVSA-N 440.565 3.241 0 1 IGAF COc1ccc(OC)c2c1C=C1[C@H]3c4c(OC)ccc(OC)c4C[C@@H]([C@H](O)N1[C@H]2C)N3C 28641425 UARLRORUZJETHY-DOUNTHOMSA-N 438.524 3.368 0 1 IGAF CC(C)(O)[C@@H]1Cc2c(cc3occ(-c4ccc5c(c4)C[C@H](C(C)(C)O)O5)c(=O)c3c2O)O1 38991866 IKQKRLWGUMCUMA-UXHICEINSA-N 438.476 3.314 0 1 IGAF biogenic O=C([C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C(=O)Nc2ccccc2)C1)N1CCOCC1 43151101 YLMYBTJRYYSEKF-WZONZLPQSA-N 442.519 3.499 0 1 IGAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccn1)CC31CCN(C(C)=O)CC1 95865003 XCYLFIMMFVLLSC-QFIPXVFZSA-N 434.540 3.001 0 1 IGAF CN(C)C(=O)CN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1 147564145 RBWGLLQQPLIXFU-UHFFFAOYSA-N 432.929 3.365 0 1 IGAF O=C(NC[C@@H](O)CO)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1 169710693 OFONJYAOQLVHJY-AEFFLSMTSA-N 426.494 3.085 0 1 IGAF O=c1nc([C@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)[nH]n2c(C3CCOCC3)ncc12 205461392 BYOLYWQLPISLQI-DLBZAZTESA-N 447.461 3.090 0 1 IGAF O=C(c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1)N1CCN(CCO)CC1 587074713 VVEQTMAZAVWANV-UHFFFAOYSA-N 438.959 3.241 0 1 IGAF CCCc1c(O)ccc2c1O[C@@](CC(=O)C(=O)OC)(c1ccc(OC)cc1F)CC2=O 587467034 PQURUMDMXCLWSN-QHCPKHFHSA-N 430.428 3.485 0 1 IGAF CCOC(=O)[C@H]1C[C@@]2(C[C@H]1C(=O)OCC)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587599243 WQIXNCZWVOOZPE-LYZSKQBMSA-N 440.448 3.245 0 1 IGAF Cc1c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cnc2c(C(=O)O)cnn12 587797785 TYWHSZZNLPCRKM-AYLIAGHASA-N 433.281 3.435 0 1 IGAF COc1cccc(NC(=O)C2(N(C)C)CCN(c3ncnc4[nH]c5c(c34)CCCC5)CC2)c1 653841636 GXYLCVUZDYCVMB-UHFFFAOYSA-N 448.571 3.385 0 1 IGAF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CO)(c2ccc(C(F)(F)F)cc2)N1 962642062 QWEVHTJUMQEABK-WBVHZDCISA-N 435.320 3.439 0 1 IGAF Cc1c2c(nn1C)[C@@H](c1cc(Br)ccc1OC(F)(F)F)N[C@@H](C(=O)O)C2 962718992 XEZYPFDEEWXCAQ-DGCLKSJQSA-N 434.212 3.078 0 1 IGAF CC[C@H](Cc1ccc(O)c(OC)c1)[C@H](O)C[C@H](O)CCc1cc(OC)c(O)c(OC)c1 2356359502 MFCJDUXQCIFTJS-QWFCFKBJSA-N 434.529 3.437 0 1 IGAF O[C@@H]1[C@H](NCc2ccc(OC(F)(F)F)cc2)[C@H]2CO[C@@H](O2)[C@@H]1Sc1ccccc1 2356843266 NKDUGCIXJWXTPJ-NNIGNNQHSA-N 427.444 3.320 0 1 IGAF CC(C)(C)NS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 3017763 XONCFRPPEBYQTI-UHFFFAOYSA-N 438.615 3.431 0 1 IGAF CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCCOC)c1 4043510 ZHYFRPZPKNQNHK-FYYLOGMGSA-N 425.529 3.396 0 1 IGAF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C(c3ccccc3)=NO[C@H]2c2ccc(Cl)cc2F)C1 4051831 CIILRPTZCQSRSC-PBEJRMEISA-N 429.879 3.308 0 1 IGAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCC(C)(C)CO 4154310 YIVLXAWFHHBPBW-IRLDBZIGSA-N 426.513 3.320 0 1 IGAF CC[C@H](O)CNC(=O)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1ccc(OC)cc1OC 4296453 FTIBCQZGECRODU-ZRCAFCQKSA-N 432.904 3.336 0 1 IGAF C/C=C\[C@H](CC(=O)O)CC(=O)NCC[C@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21 5923627 YPSYYNPWNICDRZ-AGOVTNRESA-N 448.463 3.003 0 1 IGAF COc1cccc(C[C@]2(CCC(=O)N3CCC[C@@H](C(=O)c4cccnc4)C3)CCC(=O)N2)c1 12244569 DPXDRXHITTVYQR-QFQXNSOFSA-N 449.551 3.183 0 1 IGAF Cc1c(-c2ccccc2F)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1cccnc1 13609680 DPOCVWWPONMZDU-QFIPXVFZSA-N 430.483 3.268 0 1 IGAF CC(=O)OC[C@]12[C@@H](CCC[C@@]13CO3)[C@@](C)([C@@H]1C[C@@H]3CCO[C@@H]3O1)[C@@H](C)C[C@H]2OC(C)=O 14772990 GLFMZGODSSXZRK-YCJCONDJSA-N 436.545 3.234 0 1 IGAF biogenic COc1ccc2c(c1)OC[C@@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\CCCC(=O)O)C[C@@H]13)O2 26144515 VKZZNADKILHZFB-RPNHEFIISA-N 444.524 3.340 0 1 IGAF Cc1cc(-c2nc3cc(C(=N)N)ccc3[nH]2)c(O)c(-c2cc(CNC(N)=O)ccc2O)c1 34804689 HUZJYMSTVRXNBF-UHFFFAOYSA-N 430.468 3.069 0 1 IGAF COc1c(-c2cc3n(c2)C[C@H](C)N[C@@H]3C)c(F)cc2c1N(C1CC1)C[C@@H](C(=O)O)C2=O 45300968 QVKCBGXEESWGAC-HWWQOWPSSA-N 427.476 3.221 0 1 IGAF COc1ccccc1N(C(=O)NCc1ccccc1)c1nc(C(=O)N(C)CCO)cs1 82073792 SZEIRJCTBSUMJN-UHFFFAOYSA-N 440.525 3.264 0 1 IGAF C=CC(=O)Nc1cc2c(Nc3ccc(F)c(F)c3F)ncnc2cc1OCCNC(C)=O 143031812 YHAXBZNUIZZLFJ-UHFFFAOYSA-N 445.401 3.430 0 1 IGAF CO[C@]12C=C[C@]3(C[C@@]14CCC[C@H]4O)[C@@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@@H]2O5 169716264 RLFSNZBLDVZMLA-JCMXOJETSA-N 435.564 3.308 0 1 IGAF CC[C@H](O)CNC(=O)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1ccc(OC)cc1OC 299875744 DKMBSKXNNVIXPU-NYSBEXSLSA-N 432.904 3.336 0 1 IGAF COC(=O)c1cc2nc([C@]3(NC(=O)OC(C)(C)C)[C@@H]4CCCO[C@@H]4C3(C)C)[nH]c2cn1 587238030 AFRBOMLJTDFTHJ-CKRFGLGXSA-N 430.505 3.300 0 1 IGAF CN(C)c1nn(C)c2cc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)ccc12 653853874 AKRQDWCCIMBUAA-UHFFFAOYSA-N 438.963 3.461 0 1 IGAF CCOC(=O)C(=O)C[C@@]1(c2cccc3ccccc23)NCCc2ccc(C(=O)N(C)C)cc21 962932469 PWYHAHKKTIYYCK-MHZLTWQESA-N 444.531 3.453 0 1 IGAF COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@@H](CNS(=O)(=O)Cc2ccccc2)C=C1C 2356860094 UBNXQVIDSUCQEO-BDTNDASRSA-N 436.618 3.113 0 1 IGAF CC/C=C/C(=O)N1C[C@@]2(CC(c3cccc(NC(=O)CCCCC)c3)=NO2)C[C@H]1C(N)=O 13478691 FNMHNPKQIXJKQG-LFNAACOZSA-N 440.544 3.121 0 3 IGAF Cc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 13544139 PHWFUOBMUZKVKW-DHIUTWEWSA-N 430.504 3.148 0 3 IGAF CCOC(=O)CCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC 34875815 YUHXPHNBJFUHSN-UHFFFAOYSA-N 425.489 3.137 0 1 IGAF in-vitro O=C(Cn1c(=O)cc(Nc2ccc3c(c2)CCC3)[nH]c1=O)c1ccc(Br)cc1 40420673 IGKTVKNKBJAEFA-UHFFFAOYSA-N 440.297 3.414 0 1 IGAF CC(C)C(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 40496671 ZJIYBGKZXVSZLP-CJBZWRPGSA-N 430.541 3.197 0 1 IGAF COc1cccc(N2C(=O)C(Cl)=C(N3CCN(C/C=C/c4ccccc4)CC3)C2=O)c1 64622528 KLLVTCXULNRXLP-RMKNXTFCSA-N 437.927 3.350 0 1 IGAF O=C(NCCCNc1nc(Nc2cccc(Cn3cncn3)c2)ncc1C1CC1)C1CCC1 95557921 GDYSINUURRPNLP-UHFFFAOYSA-N 446.559 3.456 0 1 IGAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cccc5cccc(-n6nccn6)c45)C[C@@H]3C2)n1 116824341 UPMHTNTVILYNTA-WOJBJXKFSA-N 439.523 3.036 0 1 IGAF O=C(/C=C/c1cccnc1)Nc1ccc(S(=O)(=O)c2cccc(N3CCOCC3)c2)cc1 142572856 BWZJLTVWLWPGNE-IZZDOVSWSA-N 449.532 3.403 0 1 IGAF CCOc1cc([C@@H]2NC(=O)N[C@@H](c3cnn(C)c3)[C@@H]2c2ccsc2)cc(C(=O)O)c1O 169688229 MZVLUZLLWRFEMJ-SQNIBIBYSA-N 442.497 3.163 0 1 IGAF CN(C)C(=O)C1=CC[C@]2(CC1)Cc1ccc(-c3cccc(C#N)c3)cc1[C@]21N=C(N)N(C)O1 201229679 IJSUOCAFBJGIAV-IZZNHLLZSA-N 441.535 3.311 0 1 IGAF COC[C@H]1CN[C@H](C)CN1CC(=O)N1CC(C)(C)c2cnc(CC3CCCCC3)cc21 205479978 YDOOULBWFWNWCG-WIYYLYMNSA-N 428.621 3.137 0 1 IGAF CS(=O)(=O)Nc1ccc(-c2nc3c(Cl)ncc(I)c3[nH]2)cc1 586950414 GRQPDXAWFSRGKV-UHFFFAOYSA-N 448.673 3.254 0 1 IGAF O=C1O[C@@H](CNC(=O)C(F)(F)F)CN1c1ccc(-n2cc(-c3ccccn3)cn2)c(F)c1 653790197 OEXLZYVHYGUWIB-AWEZNQCLSA-N 449.364 3.077 0 1 IGAF Cc1cc(-c2nc(C3CCOCC3)cnc2N)ccc1C(=O)N[C@H](CO)c1ccccc1 1772633387 WUTFDPSGZSVLQT-JOCHJYFZSA-N 432.524 3.392 0 1 IGAF Cc1cccc(-n2cc(Cn3cnc4c(cnn4-c4ccc(Cl)cc4)c3=O)nn2)c1C 1857648932 BPGHCMCJKROJKP-UHFFFAOYSA-N 431.887 3.481 0 1 IGAF C[C@H](C[C@@H](O)CCCO)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 2356606519 SMEKHTLVUPIQOE-ZKXHUTNQSA-N 438.649 3.107 0 1 IGAF COc1ccc(C=CC(=O)O[C@@H]2CCC(C)(C)[C@@H]3[C@H](O)C=C4CO[C@H](O)[C@@H]4[C@]32C)cc1 2356621673 MMSGKHKMLLCENK-XPCFJBRDSA-N 428.525 3.328 0 1 IGAF CCOC(=O)c1cccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NCC2CCCCC2)c1 2356812104 BRYWWYMABCXDTI-XRXFAXGQSA-N 432.517 3.117 0 1 IGAF CCOc1ccccc1C(=O)NCCC(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1 199853790 DUQHXONJPUNVQL-UHFFFAOYSA-N 444.431 3.137 0 3 IGAF Cc1ccc(C2=NO[C@H](C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)cc1 13489907 RWYRRHYQCAZVOQ-NRFANRHFSA-N 435.505 3.441 0 1 IGAF Cc1c(C(=O)O)c(=O)n(C2CCCC2)c2nc(Nc3ccc(N4CCNCC4)cc3)ncc12 13641563 QTLFLVQRLMPSOF-UHFFFAOYSA-N 448.527 3.066 0 1 IGAF CC(C)=CCc1ccc(O)c(C=O)c1C(=O)c1cc(C)cc(OC[C@H](O)C(C)(C)O)c1O 14721443 AXMCRMUBMNEKLN-NRFANRHFSA-N 442.508 3.469 0 1 IGAF biogenic,in-vivo COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@](CC(C)C)(C(=O)O)N[C@H]2c1cccs1 34861317 HCIFZQOHJCZSCV-SUWCGCSTSA-N 428.510 3.076 0 1 IGAF CNC(=O)CN1N=C(c2ccccc2)C2(CCN([C@@H]3CC[C@H]4CCCC[C@@H]4C3)CC2)C1=O 49031566 AMSDLHMBLLSAKF-CEMLEFRQSA-N 436.600 3.420 0 1 IGAF CNC[C@H]1OCc2ccccc2-c2c(n(C)c3ccccc23)C(=O)N([C@@H](C)CO)C[C@@H]1C 95662070 NEAMIVWIATVNNI-IUKKYPGJSA-N 435.568 3.423 0 1 IGAF C[C@H](N[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)Nc1cc(O)no1)C(=O)O 117105010 WTZARVQRNNDSGI-SJCJKPOMSA-N 429.860 3.313 0 1 IGAF CO[C@H](C(=O)Nc1ccc2[nH]nc(-c3cccc(S(N)(=O)=O)c3)c2c1)c1ccccc1 139481711 WBKWIGZIJLEGEF-NRFANRHFSA-N 436.493 3.204 0 1 IGAF COc1cccc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)cnc12 261129728 KWVPWRKERUQIGB-UHFFFAOYSA-N 447.539 3.156 0 1 IGAF Nc1ccc(-c2ccc3nc(C[C@@H](NC(=O)OCc4ccccc4)C(=O)O)[nH]c3c2)cc1N 587201635 AIZPFLNLHCEZBD-OAQYLSRUSA-N 445.479 3.316 0 1 IGAF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H]3CC[C@@H](N)C3)nc1-2 587246703 ITHOWAGYQYUENW-GXTWGEPZSA-N 443.490 3.081 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)N(CCC(=O)O)c1ccccc12 587770788 QUCNRDJQBNVEMR-YBTHPKLGSA-N 433.277 3.187 0 1 IGAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1nn(C)cc1I 587870725 QKMJWTBPQFTERF-UHFFFAOYSA-N 440.216 3.115 0 1 IGAF Cc1cc(C)c2c(=O)n(CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)sc2n1 1772586218 JORTVCJHAJIOJY-UHFFFAOYSA-N 430.961 3.467 0 1 IGAF CC1(C)CN(C(=O)c2ccccc2F)C[C@H]2CN(C(=O)Nc3ccc(F)cc3)CCN21 2356303552 XVRKYORGGUNAHS-GOSISDBHSA-N 428.483 3.418 0 1 IGAF O=c1c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1 4238701 KAYLPNFSANREGV-UHFFFAOYSA-N 441.535 3.051 0 1 IGAF O=c1cccc2n1C[C@@H]1C[C@H]2CN(Cc2nnc(-c3cccc(Br)c3)o2)C1 20177808 GSDWPUSEAZANCC-HIFRSBDPSA-N 427.302 3.280 0 1 IGAF CC(C)(C)NC(=O)CN(CCNc1ccnc2cc(Cl)ccc12)C(=O)c1cnccn1 28360812 YBXAFQQTPRQEQO-UHFFFAOYSA-N 440.935 3.147 0 1 IGAF C[C@@H](Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2C[C@@H](O)C3)n1)c1ccccc1 28367336 NDYUNAFGVYGUBG-DNVCBOLYSA-N 431.471 3.461 0 1 IGAF O=C1NCCCC[C@H]1N(Cc1ccc(Cl)nc1)S(=O)(=O)c1ccc(Cl)cc1 28957748 SUKBLESURMHSNE-MRXNPFEDSA-N 428.341 3.248 0 1 IGAF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)[C@@H](O)[C@](C)(O)[C@H](C)C2 70455336 RENKUVKNQJCSQP-JCCAUCAJSA-N 448.512 3.382 0 1 IGAF biogenic,in-vitro O=C(NC[C@@H]1C[C@@H](F)CN1)c1ccc(-c2cnc3ccc(NC4CCCC4)nn23)cc1F 72177709 WLKSMJZJHGIIIB-WBVHZDCISA-N 440.498 3.320 0 1 IGAF NC(=O)[C@@H](CCC(F)(F)F)N(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc(Cl)cc1 73163401 VBMYTMZKJLTLPO-DZGCQCFKSA-N 442.887 3.096 0 1 IGAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3ccccc3)ccc2OC[C@@H](C)N(C)C[C@@H]1C 95689177 GJRFAEJZYRRRGG-YZZKKUAISA-N 439.556 3.375 0 1 IGAF O=C(c1nc2ccccc2[nH]1)N1CC(Oc2nc3ccccc3nc2C2CCOCC2)C1 96168931 KVCSBABEDGFMCD-UHFFFAOYSA-N 429.480 3.304 0 1 IGAF COc1ccc(C2=NN(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)C[C@@H]2C)c(OC)c1 103211396 MBKLFZYRORURQR-LBPRGKRZSA-N 437.905 3.112 0 1 IGAF COc1cc(N2Cc3nn(-c4ccc(Cl)cc4)nc3C2=O)ccc1OC[C@H](O)C1CC1 118220326 FJKAXVLEHQECDS-SFHVURJKSA-N 440.887 3.239 0 1 IGAF O=C(O)[C@@H](Cc1ccccc1)C[PH](O)(O)C1=CCCN1C(=O)OCc1ccccc1 169685914 FXASZQIUURYSMQ-IBGZPJMESA-N 431.425 3.378 0 1 IGAF O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2Cc1c[nH]c2cccnc12 220204204 WXQPDHSUBSNERV-UHFFFAOYSA-N 427.511 3.219 0 1 IGAF C[C@H]1Cc2c(nnn2-c2ncc(F)cn2)CN1C(=O)c1ccc(Cl)c(F)c1Cl 225985686 CNHAYJAGGMXLMZ-QMMMGPOBSA-N 425.226 3.229 0 1 IGAF CC(=O)OC[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 238785207 GQZLXTLYIXYZIJ-ZEQRLZLVSA-N 430.504 3.448 0 1 IGAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C(O)O)N1 587685054 XHFUNIQHMGXGNG-HUTHGQBESA-N 445.126 3.439 0 1 IGAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cn2c(=O)oc(=O)c3ccccc32)N1 587769532 NUAPGIFZFUBROU-YBTHPKLGSA-N 433.277 3.306 0 1 IGAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC23CN(C(=O)OC(C)(C)C)C3)N1 587773671 KKSUCHQONWOZMO-NSPYISDASA-N 427.314 3.337 0 1 IGAF Cn1c(SCCCN2C[C@@H]3CCN(c4cccc(F)c4)[C@@H]3C2)nnc1-c1cnccn1 653728117 UDUUCGMSUBUXNS-OXJNMPFZSA-N 439.564 3.104 0 1 IGAF COC(=O)COc1ccccc1[C@@H]1N[C@@H](C(=O)O)Cc2c1cc(F)cc2C(F)(F)F 962692380 DVRODTXGNQKAAU-QAPCUYQASA-N 427.350 3.085 0 1 IGAF CC(C)(C)OC(=O)N1CCC2(CC[C@H](CNC(=O)c3cc4cnccc4[nH]3)OC2)CC1 1772612481 HIZPCJKBWSTODD-QGZVFWFLSA-N 428.533 3.489 0 1 IGAF NC(=O)c1c(-c2ccc(OC3CCOCC3)cc2)nn2c1NCC[C@@H]2c1ccccc1N 1772635484 YOLWNJRNOPGCBF-HXUWFJFHSA-N 433.512 3.194 0 1 IGAF C[C@H](Nc1nc(Cl)cc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccn(-c2ccc(F)cc2)n1 1772654424 FSZZEMMBYJPKMX-HWWQOWPSSA-N 446.870 3.334 0 1 IGAF CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ncon4)cn23)CC1 1857773760 NBVYOGMQSKHLLX-UHFFFAOYSA-N 436.903 3.369 0 1 IGAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)[C@H](OC(C)=O)[C@@H]3CC(=O)[C@@H]4c5ccoc5C[C@H]([C@H]43)[C@]12C 2356420950 SIIXQBYEKXJFAK-VORUBQROSA-N 444.524 3.175 0 1 IGAF Cc1ccc(F)c(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)c2cccc3ccccc23)c1 61907507 ZIXXEORAXLMUAF-QHCPKHFHSA-N 440.496 3.397 0 3 IGAF