smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)N1CCN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587764650 GOUSHWLPRPABOC-JLCFBVMHSA-N 446.364 3.880 10 1 IHCF CN(C)c1ccc(CNC(=O)[C@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cc1 61928034 OOBIGXUTQJPJIZ-SANMLTNESA-N 430.552 3.891 10 3 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 587765954 LIYRVFBEHZRCGH-PEBXRYMYSA-N 448.380 3.665 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 587768760 WBLZZYUFAIWDOR-LAJNKCICSA-N 430.321 3.918 10 1 IHCF Nc1ccc(Oc2ccc3nc(C[C@@H](NC(=O)OCc4ccccc4)C(=O)O)[nH]c3c2)cc1 587201641 ALHSVALKSGPMJN-OAQYLSRUSA-N 446.463 3.860 10 1 IHCF NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 15937487 HCQCFRVCGGULLA-NRFANRHFSA-N 444.491 3.504 10 3 IHCF COc1ccc2c(c1)c(/C=C1\C(=O)Nc3ccc(S(=O)(=O)NCC(C)C)cc31)cn2C 13538941 PNCQDISTALTMCA-UKWGHVSLSA-N 439.537 3.614 10 1 IHCF CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 979350 RIRMEWBXJSINDT-PQNGQFLHSA-N 438.549 3.737 10 3 IHCF O=C(NCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)c1cc2c(s1)CCC2 587034221 DRDUKDGGZJVVMX-UHFFFAOYSA-N 427.485 3.819 10 1 IHCF COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4O[C@@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587456373 UOIDWMNILHRASS-SAIJLIIMSA-N 430.412 3.609 10 1 IHCF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)c3ccc(OC(F)(F)F)cc3)cc(O)c21 1857541097 SWDZPEMMSGWILO-GOSISDBHSA-N 430.334 3.854 10 1 IHCF CCOC(=O)C(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(C)cc2)c1C 13643730 UWMRSZNHERCUJB-UHFFFAOYSA-N 425.506 3.910 10 1 IHCF O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(F)cc(F)c1 28359980 WQMMHIFRGORNFL-NHCUHLMSSA-N 430.359 3.689 10 1 IHCF CCc1ccc(/C=C2\SC(N[C@H](C(=O)O)c3ccc(Br)cc3)=NC2=O)o1 28816625 UTGUEGJAPFKXEN-MZLJFPOFSA-N 435.299 3.990 10 1 IHCF O=C1c2ccccc2-c2nc3nc(O)[nH]c(=O)c3c(-c3ccc(OC(F)(F)F)cc3)c21 71316224 WMRMWJYZLYJCFC-UHFFFAOYSA-N 425.322 3.801 10 1 IHCF CCN(CCNC(=O)[C@H](C)N)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 45286658 KPUHLEJPRONBGY-HNNXBMFYSA-N 441.963 3.623 10 1 IHCF CCOc1ccccc1C(=O)C(=O)[C@@H]1C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C 299865774 UMGNFVLTIYHFNC-LJQANCHMSA-N 433.489 4.000 10 1 IHCF CO[C@]1(C)Oc2cc(C=Cc3ccc(O)c(O)c3)oc(=O)c2C1=Cc1ccc(O)c(O)c1 2356531188 RNGFLTFOEGMRRY-XMMPIXPASA-N 436.416 3.928 10 1 IHCF CC(=O)N1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587768430 VELZQPOREBRGDJ-FPTDNZKUSA-N 446.364 3.880 10 1 IHCF O=C(O)CN1C(=O)/C(=C/c2nc3ccccc3n2Cc2ccc(F)cc2F)SC1=S 1857774170 QZMIHXAEEJBFSQ-PXNMLYILSA-N 445.472 3.649 10 1 IHCF CCN1C(=O)N(CCc2ccccc2)C2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O 473098121 FMHKVOOQHQFELA-UHFFFAOYSA-N 441.959 3.907 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 587750823 JSGGOVAVCUCBGE-PTACXORMSA-N 447.260 3.941 10 1 IHCF C[C@]1(c2cc(Cl)cc([N+](=O)[O-])c2O)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962643992 SPNGIMMXFSUHBW-PIGZYNQJSA-N 446.765 3.715 10 1 IHCF [N-]=[N+]=NCCCNC(=O)[C@@H]1CC(=O)C[C@@]2(C1)c1ccsc1CCN2Cc1cccnc1 963011609 NXADVMKFUBWLTR-VGSWGCGISA-N 438.557 3.583 10 1 IHCF CCOC(=O)C(=O)c1cc(-c2ccc(C)cc2)n(-c2ccc(S(C)(=O)=O)cc2)c1C 28862763 PDRZJQQNEQFCOP-UHFFFAOYSA-N 425.506 3.910 10 1 IHCF COc1ccc(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587811660 XBYYHYXPHWCNMX-GIPWTMENSA-N 438.293 3.945 10 1 IHCF CC(=O)c1ccc2c(c1)[C@@H](c1cccc(O)c1O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962636259 YSVBNUVIGIDESX-PKOBYXMFSA-N 427.453 3.636 10 1 IHCF COC(=O)c1cc2c(s1)C(=O)c1c(C(C)=O)c3ccc(Br)cn3c1C2=O 84711330 CRCUWCWZFGEQMY-UHFFFAOYSA-N 432.251 3.528 10 1 IHCF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2c(ccc(O)c2O)C(=O)c2c(O)ccc(O)c21 587485286 VATAXIDVUHDKAJ-RUZDIDTESA-N 448.427 3.621 10 1 IHCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3nc4ccccc4o3)cc2)c1O 103266487 PLLGXMASDDMGST-UHFFFAOYSA-N 425.466 3.955 10 1 IHCF Cc1oncc1C(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149645224 NGVYQVRIIPFWRH-MRXNPFEDSA-N 433.508 3.719 10 1 IHCF CN1C(=O)C[C@@H]2CN[C@]3(C=C(c4ccc(O)cc4)Oc4cc(O)cc(O)c43)c3cccc1c32 963022311 INGWRFRSIQMQPO-PVPMGCCUSA-N 442.471 3.534 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 587750825 JSGGOVAVCUCBGE-PYPQZPLVSA-N 447.260 3.941 10 1 IHCF COC(=O)C1CN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)C1 587763408 YJITYNSJJHXHIV-ODXCJYRJSA-N 433.321 3.821 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 587777015 YJLPLEHZBMXFNK-RCDICMHDSA-N 449.364 3.924 10 1 IHCF C[C@@]1(c2cc(Cl)cc([N+](=O)[O-])c2O)N[C@@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962643987 SPNGIMMXFSUHBW-DIFFPNOSSA-N 446.765 3.715 10 1 IHCF COc1ccc([C@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@@]23Cc2ccccc2C3=O)cc1 84728740 GKMVPKCXWSAMOC-KCWPFWIISA-N 437.495 3.968 10 1 IHCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(O[C@@H]4CCOC4)cc3F)C2)cc1 1772587362 NHLXDKZWUVOZDX-KNXBSLHKSA-N 428.504 3.848 10 1 IHCF CCOC(=O)Cc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(OC)cc2)c1C 28862692 MAGCWJGJMQCZAE-UHFFFAOYSA-N 427.522 3.970 10 1 IHCF COc1c(O)cc(O)c2c1OC(c1ccccc1)=C[C@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962898036 DXDLXOBFHJGKAZ-SSOJOUAXSA-N 449.434 3.522 10 1 IHCF O=C1/C(=C/c2ccc(C(F)(F)F)cc2)SC(=S)N1NS(=O)(=O)c1ccccc1 13680695 MIHDJHPLAWUXKT-UVTDQMKNSA-N 444.481 3.800 10 1 IHCF COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)N=[N+]=[N-])cc1 653841642 HURPLKNUDKRSLF-LEWJYISDSA-N 432.546 3.624 10 1 IHCF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(N)=O 587758335 WQCABTBCOYHEAE-FIKIJFGZSA-N 430.321 3.960 10 1 IHCF COc1cc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(OC)c([N+](=O)[O-])c1 587260768 DKOMGEGNKWLXDY-UHFFFAOYSA-N 429.388 3.931 10 1 IHCF COC(=O)C1CN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)C1 587760198 JNFWFZRUKYUIOO-FKIZINRSSA-N 433.321 3.821 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 587772617 IGMIACYLPUFEKF-ZSEKCTLFSA-N 434.353 3.805 10 1 IHCF O=C(/C=C/c1ccc(O)c(O)c1)OC1CCC(OC(=O)/C=C/c2ccc(O)c(O)c2)CC1 13556342 VOAUUKZREABUKK-HMMKTVFPSA-N 440.448 3.633 10 1 IHCF Cc1c(C=C2C(=O)NC(=O)NC2=O)c2ccccc2n1Cc1ccccc1C(F)(F)F 473108725 OHOFBBOOGZXTAO-UHFFFAOYSA-N 427.382 3.766 10 1 IHCF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(N)=O 587758345 WQCABTBCOYHEAE-MQJDWESPSA-N 430.321 3.960 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)cc2O)N1 587771365 FYFHVJXBIWNEIL-YEJXKQKISA-N 435.337 3.928 10 1 IHCF COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3ccccc3F)C4)CC2)cc1 21640108 QQZWQEZQZHRNCW-UHFFFAOYSA-N 433.531 3.509 10 1 IHCF COc1ccc(N2CCN(C)CC2)cc1Nc1ncc2ccc(-c3ccccc3OC)n2n1 95573211 ULRZTRJMWCFCFL-UHFFFAOYSA-N 444.539 3.909 10 1 IHCF Cc1c(C=C2C(=O)NC(=O)NC2=O)c2ccccc2n1Cc1ccccc1Br 473109176 QHWKOWNYPAUQSR-UHFFFAOYSA-N 438.281 3.510 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 587769225 YIUQLOGVOHHRMV-FPTDNZKUSA-N 448.380 3.665 10 1 IHCF COc1ccc(N2CCOCC2)c2cc(C(=O)Nc3ccc(Cn4ccnc4)cc3)oc12 49051160 FHXDVFLRWKTAEZ-UHFFFAOYSA-N 432.480 3.775 10 1 IHCF C[C@@]1(c2cc(Cl)cc([N+](=O)[O-])c2O)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962643990 SPNGIMMXFSUHBW-GTNSWQLSSA-N 446.765 3.715 10 1 IHCF COc1ccc(N2CCN(CCCSc3nc(=O)c4c(C)c(C)sc4[nH]3)CC2)cc1 27657221 WPDBZZBPSUZBDG-UHFFFAOYSA-N 444.626 3.914 10 1 IHCF C[C@H](OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1)[C@@H](C)O 40676433 QOTRYAMHCKKTQD-PPDLEJFFSA-N 432.564 3.962 10 1 IHCF O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1CCCC[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 13556352 ABRIKWKVYABQBU-PUGJRYCPSA-N 440.448 3.633 10 1 IHCF O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCC2)cc1 113624395 ANENPIZAGBLSEU-UHFFFAOYSA-N 427.913 3.977 10 1 IHCF COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587806781 JJLWQIGQFVJBNV-PRWKNARSSA-N 438.293 3.945 10 1 IHCF CCN1CCN(c2ccc([C@@H]3CC(c4ccc(OC)c(OC)c4)=NN3C(C)=O)cc2)CC1 1857621263 XMSNTYCPGOOWCF-QHCPKHFHSA-N 436.556 3.543 10 1 IHCF O=c1cc2c3cc(O)c(O)cc3oc3cc4c(c(o1)c32)C[C@@H](O)[C@H](c1ccc(O)c(O)c1)O4 14611234 UZKYBGJWZRFMHC-HXOBKFHXSA-N 448.383 3.552 10 1 IHCF biogenic CC(C)CN(Cc1ccc(N2CC3(CCOC3)C2)cc1)S(=O)(=O)Cc1ccccc1 147291357 VYBHKGYLMAPTBL-UHFFFAOYSA-N 428.598 3.901 10 1 IHCF O=C(O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)OCCO5)CC3)c2c1 13582471 JPOCGVCFCLUQHP-UHFFFAOYSA-N 435.524 3.782 10 1 IHCF COC(=O)c1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)C(OC)=C2Cl)cc1C(C)=O 45211430 YOFXNESMUDSZDI-SFHVURJKSA-N 440.835 3.662 10 1 IHCF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(N)=O 587759264 ZUOKQLGNZZPCIO-FIKIJFGZSA-N 430.321 3.960 10 1 IHCF CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2c1c1ccc(Cl)cc1n2CCF 473112067 CTDAETQCXLBIFY-UHFFFAOYSA-N 426.879 3.594 10 1 IHCF CN1CCN(c2ccc(CNC(=O)[C@@]3(C)Cc4c(-c5ccccc5)ccnc4O3)cc2)CC1 61907473 GZJRGZQGJNGISQ-HHHXNRCGSA-N 442.563 3.510 10 3 IHCF COc1ccccc1N1CCN(Cc2ccc(CN3CCCC3=O)n2-c2ccccc2)CC1 13449344 WNRMEBFGFQNTLL-UHFFFAOYSA-N 444.579 3.931 10 1 IHCF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)c3ccc(Br)s3)cc(O)c21 1857534579 TZFAMXZUPIGYJF-MRXNPFEDSA-N 431.263 3.779 10 1 IHCF CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 6074191 RIRMEWBXJSINDT-IMSXRSKXSA-N 438.549 3.737 10 1 IHCF CCN(CC)/N=N\c1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 101493880 BULABNJKUWLWTB-GYHWCHFESA-N 442.545 3.626 10 1 IHCF O=C(/C=C/C=C/c1ccc(O)c(O)c1)NCCN=c1c2c([nH]c3ccccc13)CCCC2 653707747 NOUVELBCBLNLDH-VIKAGGQVSA-N 429.520 3.744 10 1 IHCF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1CC(N)=O 587578117 QGRMEPHBQIYNAP-RCZVLFRGSA-N 428.444 3.844 10 1 IHCF O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1 1772575406 VLMJOEJLUGVHCP-UHFFFAOYSA-N 428.426 3.745 10 1 IHCF COc1ccc(N2CCN(CCCN3c4cccc5cccc(c45)S3(=O)=O)CC2)cc1 13823488 OUEYTZFYYVEBDH-UHFFFAOYSA-N 437.565 3.569 10 1 IHCF CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756910 SGRUMAFYXMKZOG-ZSEKCTLFSA-N 435.337 3.995 10 1 IHCF COc1ccc(N2CCN(C[C@@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 1251079311 FSPXYUHQVJZGHG-HXUWFJFHSA-N 431.536 3.892 10 1 IHCF CCOC(=O)C(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(C)(=O)=O)cc2)c1C 28862743 LGSAQYXXPCMKBB-UHFFFAOYSA-N 429.469 3.741 10 1 IHCF CCOC(=O)c1cc2cc(OCCCN3CCN(c4ccc(OC)cc4)CC3)ccc2[nH]1 45244946 AWAQTFZDZQIWSM-UHFFFAOYSA-N 437.540 3.944 10 1 IHCF in-vitro C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 587753749 WPQDUTKJGBIGEW-KQBGUWBVSA-N 447.260 3.941 10 1 IHCF CC(C)c1nn(C)c2c1[C@@](C)(c1ccc(N3CCC(C(=O)NCC4CC4)CC3)cc1)NCC2 962923920 ZFMUZXHJCSLFMQ-HHHXNRCGSA-N 449.643 3.695 10 1 IHCF O=C1CC(=O)N(C2=N[C@H](c3cccc([N+](=O)[O-])c3)c3sc4ccc(Cl)cc4c3N2)N1 1857588726 ZGSMHLGFRJSOKF-MRXNPFEDSA-N 441.856 3.597 10 1 IHCF COc1cc2c(c(Cl)c1Cl)C(=O)[C@](CCN(C)CC(=O)O)(c1ccccc1)C2=O 28571782 TUEGQSDTELQDFR-OAQYLSRUSA-N 436.291 3.726 10 1 IHCF COc1cc2c(cc1OC)[C@@H](c1ccc(I)cc1O)N(C)[C@H](C)C2 962620338 GFBBTXAULQQNKJ-NSPYISDASA-N 439.293 3.980 10 1 IHCF Cc1ccc(S(=O)(=O)N2CCC(C(=O)/N=N/c3c(O)[nH]c4ccccc34)CC2)cc1 103969917 NMFWCQMNAGFLJQ-WCWDXBQESA-N 426.498 3.893 10 1 IHCF O=C(NCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)OCc1ccccc1 587228592 TYWGFHUWEIJKKG-UHFFFAOYSA-N 425.444 3.807 10 1 IHCF COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3ccc(C)s3)C4)CC2)cc1 21640128 GJTZGDQFCBMYRK-UHFFFAOYSA-N 435.597 3.740 10 1 IHCF CC(=O)N1CCN(Cc2cc(CNC3(c4ccccc4F)CCCC3)ccc2O)CC1 473110391 VTXWBQNSPSEKHS-UHFFFAOYSA-N 425.548 3.755 10 1 IHCF COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587807994 MMAIYANOTJUCJL-BIBXISHDSA-N 438.293 3.945 10 1 IHCF CN1[C@H]2C[C@@H]3[C@H](CO[C@@](C)(O)[C@@H]3CC(=O)c3ccco3)[C@H]1Cc1c2n(C)c2ccccc12 2356412744 YVYNTJLGNMGSJB-BAZUSSDFSA-N 434.536 3.933 10 1 IHCF O=Cc1ccc(F)cc1OCc1cn(Cc2ccc3c(c2)C(=O)c2ccccc2C3=O)nn1 1772619245 JFRVTPJVDRQKBR-UHFFFAOYSA-N 441.418 3.632 10 1 IHCF CC(=O)Nc1cccc(-c2ccnc3c2C[C@@](C)(C(=O)NCc2ccc(N(C)C)cc2)O3)c1 61907538 IDSCYNWYQKAQNR-SANMLTNESA-N 444.535 3.783 10 3 IHCF O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1CCCC[C@H]1OC(=O)/C=C\c1ccc(O)c(O)c1 27558375 ABRIKWKVYABQBU-HMKVCXCQSA-N 440.448 3.633 10 1 IHCF O=C1NC[C@H](c2ccc(N3CCN(c4ccccc4)CC3)cc2)N1c1ccn2ccnc2c1 198381582 XDFILYMWNKANIW-XMMPIXPASA-N 438.535 3.932 10 1 IHCF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)c3cc(Br)cs3)cc(O)c21 1857564883 OJZSNCLHSOIOFN-INIZCTEOSA-N 431.263 3.779 10 1 IHCF O=c1c2cn[nH]c2c2ccc(-c3ccccc3N3CCNCC3)cc2n1CC(F)(F)F 205516512 NRVRNLFKYSLYRJ-UHFFFAOYSA-N 427.430 3.517 10 1 IHCF COc1ccc(N2CCN(C[C@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1 1251079305 FSPXYUHQVJZGHG-FQEVSTJZSA-N 431.536 3.892 10 1 IHCF CN(C)c1ccc(CNC(=O)[C@@]2(C)Cc3c(-c4ccc(N(C)C)cc4)ccnc3O2)cc1 61928033 OOBIGXUTQJPJIZ-AREMUKBSSA-N 430.552 3.891 10 3 IHCF COc1cc(O)c(C(C)=O)c(O)c1C1=C(C)C=C(O)[C@H]2C(=O)c3c(O)cccc3C(=O)[C@@H]12 1857572115 JNTQGIRTFFYTRM-CTNGQTDRSA-N 436.416 3.555 10 1 IHCF Cc1nccn1CC(=O)N(c1ccc(N)cc1)[C@@H](C(=O)NC(C)(C)C)c1ccsc1 140327132 PIZBCXKAYVNNKU-HXUWFJFHSA-N 425.558 3.524 10 1 IHCF COc1ccc(/N=N/C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 17261132 POOWYGANGFCAOK-HDBIOEHZSA-N 440.500 3.715 10 1 IHCF COc1ccc(N2CCN(CCCCn3cnc4c(cnc5ccccc54)c3=O)CC2)cc1 72105343 DBMZNAROIFCNMV-UHFFFAOYSA-N 443.551 3.556 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 587726228 WGDUFJSPFUXMPC-ZSEKCTLFSA-N 436.344 3.935 10 1 IHCF CN(C)c1ccc([C@H](C(=O)NC(C)(C)C)N2CCc3c([nH]c4ccccc34)CC2=O)cc1 653854438 KSNSXGYRGKSFRS-XMMPIXPASA-N 432.568 3.817 10 1 IHCF O=C1NC(=S)S/C1=C/c1ccc2c(c1)N(Cc1ccc(F)c(Cl)c1)C(=O)CO2 3960731 KWDKVVZOYYHCRG-FRKPEAEDSA-N 434.901 3.894 10 1 IHCF CN(C)c1ccc(CNC(=O)CCC(=O)N2Cc3ccccc3Oc3ncccc32)cc1 8598065 RYTQWYBOSOZNTR-UHFFFAOYSA-N 430.508 3.883 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 587767527 RLWJIZLFRJJKSA-GTJPDFRWSA-N 430.321 3.918 10 1 IHCF COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](c4ccc(O)c(O)c4)Oc4ccc(C)cc41)[C@@H](C2)C3=O 587452002 CLJFRALPAFNJKD-CIHKJSBTSA-N 444.439 3.761 10 1 IHCF CS(=O)(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O 26842303 ZXBFSTKRIBQFHS-UHFFFAOYSA-N 441.534 3.857 10 1 IHCF CCN(C)C(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C 40899133 HHWCYMGVYISNRW-UHFFFAOYSA-N 431.945 3.845 10 1 IHCF CCOC(=O)C(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C 28862716 XBFJAKXVWDTTGL-UHFFFAOYSA-N 429.469 3.741 10 1 IHCF O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1)c1ccc(Cl)cc1 66251325 IYBMLZSWCNOMDE-TZIWHRDSSA-N 444.823 3.770 10 1 IHCF CN1CC2(CCN(c3ccc(OCc4ccccc4)c(C(=O)Nc4ccnnc4)c3)CC2)C1 1857620792 HSDXXGYIJILLPK-UHFFFAOYSA-N 443.551 3.840 10 1 IHCF CC1=C(C(N)=O)[C@H](c2ccc(N3CCCC3)cc2)N2NC(SCc3ccccc3)=NC2=N1 473135227 GTCQMKNUFLASED-NRFANRHFSA-N 446.580 3.566 10 1 IHCF COC(=O)C1CN(c2ccc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)C1 587760199 JNFWFZRUKYUIOO-MPBGBICISA-N 433.321 3.821 10 1 IHCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(O[C@@H]4CCOC4)cc3F)C2)cc1 1772587367 NHLXDKZWUVOZDX-WQTXXOFMSA-N 428.504 3.848 10 1 IHCF COc1cc2c3c(n(CCCN=[N+]=[N-])c(=O)c2cc1OC)-c1ccc([N+](=O)[O-])cc1C3=O 28711275 RLIDCXQQPTVQRM-UHFFFAOYSA-N 435.396 3.839 10 1 IHCF COc1ccc(OCCOc2ccc(C[C@H]3C(=O)C(=O)c4ccccc4C3=O)cc2)cc1 169721171 JDXJQTVYTKIEEE-HSZRJFAPSA-N 430.456 3.960 10 1 IHCF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(S(N)(=O)=O)cc1C 84634018 RUMZVOARCOJVDB-UHFFFAOYSA-N 442.537 3.604 10 1 IHCF Cc1c(CCN2CCOCC2)c2cc(Br)ccc2n1CC(=O)N1CCCCC1 1857573016 OMOCRHUNQBNKPG-UHFFFAOYSA-N 448.405 3.599 10 1 IHCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(Cl)c1Cl 95598609 JIDLFPGLKGQIOP-BETUJISGSA-N 444.384 3.989 10 1 IHCF CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCc1ccc2c(c1)OCO2 8300197 NWSFESSWXFWWQU-OALUTQOASA-N 440.540 3.684 10 1 IHCF biogenic Cc1c(CCOCCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 95586106 LGEVLTJETXTQSY-UHFFFAOYSA-N 431.529 3.937 10 1 IHCF COc1ccc(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587811662 XBYYHYXPHWCNMX-PRWKNARSSA-N 438.293 3.945 10 1 IHCF CCc1ccc(/C=C2\SC(N[C@@H](C(=O)O)c3ccc(Br)cc3)=NC2=O)o1 28816623 UTGUEGJAPFKXEN-KQGZCTBQSA-N 435.299 3.990 10 1 IHCF [N-]=[N+]=NCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587575937 LJRKMXQBYZQSHR-AUSIDOKSSA-N 428.404 3.906 10 1 IHCF COc1cc(C=C2C(=O)N(Cc3ccccc3)C(=O)N(Cc3ccccc3)C2=O)ccc1O 299860680 JOMXCPXAQPWTEV-UHFFFAOYSA-N 442.471 3.975 10 1 IHCF Cn1cc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1 113624239 NHYASGDXJCWGTH-UHFFFAOYSA-N 432.933 3.798 10 1 IHCF CN1CCc2c(Br)cccc2[C@@]1(C)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2C1=O 963282906 ZXLVNXBMUWHOTD-XLIONFOSSA-N 429.270 3.756 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)cc2O)N1 587772350 HIBLJPLXUDKOHY-LRTDBIEQSA-N 435.337 3.928 10 1 IHCF CC(=O)Nc1ccc(O)c([C@]2(CCC(=O)O)c3cccc(Br)c3CCN2C)c1 963288414 ALMPCWKFJGXMQN-NRFANRHFSA-N 447.329 3.709 10 1 IHCF CN(C)CCCOc1cccc2c1ccc1nc3cccc(C(=O)NCCN(C)C)c3nc12 27763579 HBFFTQYLLICTHD-UHFFFAOYSA-N 445.567 3.558 10 1 IHCF CCCc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1 1772634069 WLBSVGDJAHFOEG-UHFFFAOYSA-N 436.489 3.987 10 1 IHCF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@@H](c4ccc(O)c(O)c4)Oc4ccc(C)cc41)[C@@H](C2)C3=O 587451999 CLJFRALPAFNJKD-BQVXCWBNSA-N 444.439 3.761 10 1 IHCF C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1 253704966 QOTRYAMHCKKTQD-ZXDOMCCRSA-N 432.564 3.962 10 1 IHCF COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587807995 MMAIYANOTJUCJL-GIPWTMENSA-N 438.293 3.945 10 1 IHCF O=c1c2cn[nH]c2c2ccc(-c3cccnc3N3CCCOCC3)cc2n1CC(F)(F)F 220123937 NOMHAMRRPXWPFC-UHFFFAOYSA-N 443.429 3.729 10 1 IHCF Cn1cc(-c2cnc3[nH]cc(-c4cc(N5CCc6cc(F)ccc65)nc(N)n4)c3c2)cn1 169700756 KWXINVRBJAYPJL-UHFFFAOYSA-N 426.459 3.836 10 1 IHCF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21 587475797 ANVAIAIQUPXRIS-RUZDIDTESA-N 448.427 3.621 10 1 IHCF COC(=O)C1CN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)C1 587763407 YJITYNSJJHXHIV-MPBGBICISA-N 433.321 3.821 10 1 IHCF COC(=O)C1CN(c2ccc([C@H]3NC4(CC4)Cc4ccc(Br)cc43)cc2)C1 961614321 KUBWEOKINXBUGD-HXUWFJFHSA-N 427.342 3.826 10 1 IHCF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccn(CC(F)(F)F)c(=O)c2)nc1 209426345 BKLLSPHRWBTYQB-WBVHZDCISA-N 446.429 3.762 10 1 IHCF NC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26936247 COOHFUZFCHIZCO-UHFFFAOYSA-N 435.509 3.542 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 587777012 YJLPLEHZBMXFNK-FPTDNZKUSA-N 449.364 3.924 10 1 IHCF CN(C)c1ccc(CN[C@@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc5ccccc45)CO[C@@H]32)cc1 2356813071 CCXOYMRBSCHDKE-ZGFBMJKBSA-N 447.535 3.779 10 1 IHCF CC[C@@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)NCc1ccc2c(c1)OCO2 2356844574 NWSFESSWXFWWQU-MOPGFXCFSA-N 440.540 3.684 10 1 IHCF COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3cccc(C)c3)C4)CC2)cc1 21039464 LRJLBIJPWAQQMQ-UHFFFAOYSA-N 429.568 3.679 10 1 IHCF COc1ccc2c(c1)c(/C=C1\C(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc31)cn2C 96283858 CSTIJWAITVTRRU-GRSHGNNSSA-N 439.537 3.756 10 1 IHCF O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc(O)c(O)c(O)c1 43025527 HHGPCRCYLMSQBM-UHFFFAOYSA-N 434.857 3.510 10 1 IHCF COc1ccc(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587809481 QOJJFSXAXICPEN-PRWKNARSSA-N 438.293 3.945 10 1 IHCF COc1cc(CC[C@H](C[C@@H](CCc2ccc(O)c(O)c2)OC(C)=O)OC(C)=O)ccc1O 13377919 AYGREUDCTXEMIK-WOJBJXKFSA-N 446.496 3.631 10 1 IHCF biogenic O=c1cc2c3cc(O)c(O)cc3oc3cc4c(c(o1)c32)C[C@H](O)[C@H](c1ccc(O)c(O)c1)O4 14611236 UZKYBGJWZRFMHC-SBUREZEXSA-N 448.383 3.552 10 1 IHCF biogenic CC(C)CN(Cc1ccc(N2CCC3(COC3)C2)cc1)S(=O)(=O)Cc1ccccc1 147267901 DTMHRVJUEOWYEW-UHFFFAOYSA-N 428.598 3.901 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 587777014 YJLPLEHZBMXFNK-PEBXRYMYSA-N 449.364 3.924 10 1 IHCF Nc1ccc(Oc2ccc3nc(CNS(=O)(=O)c4ccc(F)c(F)c4F)[nH]c3c2)cc1 587134660 UGHVDJHFFWHHBM-UHFFFAOYSA-N 448.426 3.833 10 1 IHCF COc1cc(CC[C@H]2C[C@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 13340622 PCHXAHPLKORHMW-ZWOKBUDYSA-N 432.469 3.605 10 1 IHCF in-man Cc1nc2nc(NCc3cc(Br)ccc3O)nn2c(O)c1Cc1ccccc1 100695375 ZDSORGYBLHHSKV-UHFFFAOYSA-N 440.301 3.809 10 1 IHCF COC(=O)C1CN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)C1 587760200 JNFWFZRUKYUIOO-ODXCJYRJSA-N 433.321 3.821 10 1 IHCF CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)cc3O)cs2)cc1 3250449 PRRYYVOHGAYBJR-UHFFFAOYSA-N 434.495 3.502 10 1 IHCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C(N)=O)ccc12 27562885 IGKDIAKIBLWBRK-UHFFFAOYSA-N 436.493 3.611 10 1 IHCF COc1cc(/C=C/c2nc3c(I)cnc(Cl)c3[nH]2)cc(O)c1O 587786416 TZKNTGDBIFKKBS-NSCUHMNNSA-N 443.628 3.806 10 1 IHCF Cc1ccc(N(C(=O)c2nnsc2C)[C@@H](C(=O)NC(C)C)c2ccccc2O)cc1F 103222140 AQMWKNIXBWDORX-HXUWFJFHSA-N 442.516 3.912 10 1 IHCF CC[C@]1(c2c(O)cc(O)cc2O)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186894 RSGQXUCIOKNDNS-ACJLOTCBSA-N 431.794 3.728 10 1 IHCF S=C(NCCc1ccccc1)N1Cc2cc(N3CCCCC3)ccc2-n2nncc2C1 72135759 UMZUVCDFBIQLBZ-UHFFFAOYSA-N 432.597 3.690 10 3 IHCF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(N)=O 587759267 ZUOKQLGNZZPCIO-WIUDPPPLSA-N 430.321 3.960 10 1 IHCF CCn1cc(Br)c(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)n1 587000449 NUTQBQPGISDWNX-UHFFFAOYSA-N 435.281 3.908 10 1 IHCF CCCCS(=O)(=O)N[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(C)C 586932735 JAIFJHHSDJTUKM-IBGZPJMESA-N 439.537 3.755 10 1 IHCF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccc(O)c(O)c1C(=O)c1c(O)ccc(O)c12 587532205 JRHBKIZYUBOYLM-AREMUKBSSA-N 444.439 3.841 10 1 IHCF COc1cc(CC[C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 13340621 PCHXAHPLKORHMW-QKLQHJQFSA-N 432.469 3.605 10 1 IHCF biogenic,in-man COc1cc2c3c(n(CCCN=[N+]=[N-])c(=O)c2cc1OC)-c1ccc(NC(C)=O)cc1C3=O 28711263 PTZOHAPUGXKWTQ-UHFFFAOYSA-N 447.451 3.889 10 1 IHCF CCCCN1C(=O)C2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13491742 LVYNCTNJHNBWOC-UHFFFAOYSA-N 444.539 3.980 10 1 IHCF CC(=O)Oc1c(-c2ccc(O)c(O)c2)c(O)c2oc3cc(O)c(O)cc3c2c1OC(C)=O 139005166 XVTUNKIGAVAKAE-UHFFFAOYSA-N 440.360 3.632 10 1 IHCF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(N)=O 587759266 ZUOKQLGNZZPCIO-MQJDWESPSA-N 430.321 3.960 10 1 IHCF CCOc1cccc(CN2CCC[C@@H](N3CCc4cc(OC)c(OC)cc4C3)C2)c1O 20866579 ARRSLQDGUDXOAX-OAQYLSRUSA-N 426.557 3.831 10 3 IHCF COc1ccc(O)c([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587809484 QOJJFSXAXICPEN-YBTHPKLGSA-N 438.293 3.945 10 1 IHCF CCC1(CC)C(=O)N(C(=O)NCc2ccc(N(C)C)cc2)[C@@H]1Oc1ccc(C(=O)O)cc1 27208814 DRWDAVBHAUQXLA-JOCHJYFZSA-N 439.512 3.714 10 1 IHCF CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1cc(Cl)c(Cl)cc1C2=O 31440409 HAEKNXAACCDGRU-UHFFFAOYSA-N 449.382 3.716 10 1 IHCF CC(C)(C)OC(=O)N1CCCN(c2ccc(CNC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 40564323 BGJSOYLOFVQIQB-UHFFFAOYSA-N 444.488 3.565 10 1 IHCF COC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)OCCO5)CC3)c2c1 13582473 MDHVRPTXQRFWPA-UHFFFAOYSA-N 449.551 3.871 10 1 IHCF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@H]2C[C@@H]1OC(=O)/C=C/c1ccc(N(C)C)cc1 169350259 WSBRLYLRTOYRBT-MWPITAHMSA-N 439.552 3.737 10 1 IHCF COC(=O)c1c(O)ccc2c1c1c(n2Cc2ccc(OC)cc2)C(=O)c2ccccc2C1=O 1663102 XQCXUOLFHSZVMY-UHFFFAOYSA-N 441.439 3.966 10 1 IHCF O=S(=O)(N[C@@H]1CCCCN(Cc2ccccc2O)C1)c1ccc(C(F)(F)F)cc1 45227825 UBYIIRKHZXGZLP-QGZVFWFLSA-N 428.476 3.744 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 587745059 JCAHNTODFPDVIQ-NZFNHWASSA-N 426.198 3.734 10 1 IHCF CCc1nc(-c2ccc(F)cc2)c(-c2ccc3nc(N)n(S(=O)(=O)C(C)C)c3c2)[nH]1 13641291 OMMKUERRSBSZNO-UHFFFAOYSA-N 427.505 3.963 10 1 IHCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2ccc(=O)[nH]c2)cc1 72122928 MUXMXSRPGUBGSY-UHFFFAOYSA-N 441.487 3.924 10 1 IHCF COc1cc(CC[C@@H]2C[C@@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 100773666 PCHXAHPLKORHMW-MBOZVWFJSA-N 432.469 3.605 10 1 IHCF endogenous,in-man Cc1nn(-c2ccccn2)c(O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 13864592 QHFNQXKGQMXBEV-QURGRASLSA-N 425.426 3.802 10 1 IHCF C[C@]1(c2cc(Cl)cc([N+](=O)[O-])c2O)N[C@H](C(=O)O)Cc2cccc(OC(F)(F)F)c21 962643985 SPNGIMMXFSUHBW-APPDUMDISA-N 446.765 3.715 10 1 IHCF O=C1c2ccccc2C(=O)c2c(O)c([C@H](O)c3ccc(Br)s3)cc(O)c21 1857534578 TZFAMXZUPIGYJF-INIZCTEOSA-N 431.263 3.779 10 1 IHCF COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2C(N)=S)c(OC)c1OC 1772601039 DFGZHLRDQSPBIW-KRWDZBQOSA-N 437.521 3.966 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 587748696 XVJCPQRUKVVYPR-ZIDLFYJRSA-N 426.198 3.734 10 1 IHCF CC1=NN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@@H](c2cc(Br)ccc2O)C1 653741253 WKHPHZPZMNDQGC-OAHLLOKOSA-N 440.275 3.575 10 1 IHCF CN1CCN(c2ccc(CNC(=O)c3ccc(-c4ccnn4C)c4ccoc34)cc2)CC1 61905483 KFWMRSAMIRYFME-UHFFFAOYSA-N 429.524 3.515 10 3 IHCF COc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1C(=O)Nc1ccc(C)cc1 653845321 HOFLLJPNFRTBOS-UHFFFAOYSA-N 430.416 3.755 10 1 IHCF COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 653849300 PGSGTPNUOJTSEM-DEOSSOPVSA-N 437.536 3.984 10 1 IHCF COc1cc(/C=C2/SC(=S)N(CC(=O)c3ccccc3)C2=O)cc(OC)c1OC 1857600880 IBBHJVAXOWNKEK-WOJGMQOQSA-N 429.519 3.797 10 1 IHCF Cc1oc2c(Cl)c3c(c(Cl)c2c1C(=O)N1CC[C@H](N)C1)C(=O)c1ccccc1C3=O 1857759372 CFCOTNNFVUOEKS-JTQLQIEISA-N 443.286 3.997 10 1 IHCF C[C@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1 29486610 QOTRYAMHCKKTQD-RAVMZTBMSA-N 432.564 3.962 10 1 IHCF CCCN(C(=O)CC(=O)O)C1=C(C)C[C@H](c2ccccc2)N(Cc2ccc(N)cc2)C1=O 28869590 GMSXKCPQIGTWJP-OAQYLSRUSA-N 435.524 3.730 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 587777125 ZHVZQBGBTLWLKU-LRTDBIEQSA-N 434.353 3.805 10 1 IHCF O=c1cc2c3cc(O)c(O)cc3oc3cc4c(c(o1)c32)C[C@@H](O)[C@@H](c1ccc(O)c(O)c1)O4 14611230 UZKYBGJWZRFMHC-UZUQRXQVSA-N 448.383 3.552 10 1 IHCF biogenic CCS(=O)(=O)c1cccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 586921936 PGTCBYQXRRMIHU-UHFFFAOYSA-N 430.485 3.723 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 587750815 JSGGOVAVCUCBGE-LMSVWVRUSA-N 447.260 3.941 10 1 IHCF CN(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N2CCc3c([nH]c4ccccc34)CC2=O)cc1 653854418 KSNSXGYRGKSFRS-DEOSSOPVSA-N 432.568 3.817 10 1 IHCF CN(C)c1ccc(CNC(=O)c2cnc(N3CCN(Cc4ccccc4)C3=O)s2)cc1 205208262 WQMXMVQODUPMNE-UHFFFAOYSA-N 435.553 3.581 10 3 IHCF Cc1cccc(COc2cccc(/C=C3\C(=O)NN(C(=O)c4ccc(F)cc4)C3=O)c2)c1 40939100 BNADTZLIYRXONR-HYARGMPZSA-N 430.435 3.810 10 1 IHCF O=C([C@H]1Cc2ccccc2[C@]2(CCc3c(Br)ccc(O)c32)N1)C(F)(F)F 962730046 LLENPRUFBRUPKK-KDOFPFPSSA-N 426.232 3.990 10 1 IHCF COc1cc(CC[C@@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 13340624 PCHXAHPLKORHMW-HLIPFELVSA-N 432.469 3.605 10 1 IHCF endogenous,in-man O=C([C@@H]1Cc2ccccc2[C@]2(CCc3c(Br)ccc(O)c32)N1)C(F)(F)F 962730048 LLENPRUFBRUPKK-KSSFIOAISA-N 426.232 3.990 10 1 IHCF CC(=O)c1cc2cc(CCc3cc4c(o3)C(=O)c3ccccc3C4=O)c(O)c(O)c2c(=O)o1 2356327536 CNCUCHMIDJODTO-UHFFFAOYSA-N 444.395 3.560 10 1 IHCF CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc4cccnc4c3O)CC2)cc1 53246835 HIAJIEWZOVDVLO-UHFFFAOYSA-N 439.581 3.744 10 1 IHCF CCn1c2c(c3ccccc31)CN(c1ncnc(Nc3cccc(C(=O)NC)c3)n1)CC2 1772574464 NBXZEYDYEWJMCQ-UHFFFAOYSA-N 427.512 3.512 10 1 IHCF O=C(C=Cc1ccccc1)O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 2356596184 GQGIIUWXMCBYIJ-XUZZJYLKSA-N 436.416 3.516 10 1 IHCF C[C@@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1 40676429 QOTRYAMHCKKTQD-ZDKSERFWSA-N 432.564 3.962 10 1 IHCF CC(C)Oc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)cc1NC(=O)c1cnccn1 169346748 OZLRWZTYLSNJOE-UHFFFAOYSA-N 449.530 3.977 10 1 IHCF O=S(=O)(Nc1cccc(N2CCC(NCc3ccncc3)CC2)c1)c1ccc(F)cc1 12151582 UAYHOKQLAXIYIW-UHFFFAOYSA-N 440.544 3.780 10 1 IHCF CN(C)c1ccc(CNC(=O)[C@@]2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1 61928166 NYGDBNRGCITMCH-RUZDIDTESA-N 431.492 3.553 10 3 IHCF O=C1NC(=O)C(=Cc2ccc(OCCn3c4ccccc4c4ccccc43)cc2)C(=O)N1 40954287 IYSVOOIEEJTSBR-UHFFFAOYSA-N 425.444 3.623 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 587726223 WGDUFJSPFUXMPC-ASSNKEHSSA-N 436.344 3.935 10 1 IHCF CN1C(=O)C[C@H]2CN[C@@]3(C=C(c4ccc(O)cc4)Oc4cc(O)cc(O)c43)c3cccc1c32 963022308 INGWRFRSIQMQPO-HAWMADMCSA-N 442.471 3.534 10 1 IHCF CCCCCNc1ncnc2c1nc(-c1ccc(N3CCCC3)cc1)n2CCNC(C)=O 82186381 MOBWHHHTCQENRS-UHFFFAOYSA-N 435.576 3.832 10 1 IHCF CN(C)c1ccc(C(=O)[C@]2(c3ccc(N(C)C)cc3)NCCc3c(C(=O)O)cccc32)cc1 963120984 IGXZCJUWWSYYMB-HHHXNRCGSA-N 443.547 3.789 10 1 IHCF CN1[C@H]2C[C@@H]3[C@H](CO[C@@](C)(O)[C@H]3CC(=O)c3ccco3)[C@H]1Cc1c2n(C)c2ccccc12 2356412743 YVYNTJLGNMGSJB-AVRGULCDSA-N 434.536 3.933 10 1 IHCF Nc1c(S(=O)(=O)O)cc(Nc2cccc(Cl)c2)c2c1C(=O)c1ccccc1C2=O 29130781 NTYGNNJMCYGTJX-UHFFFAOYSA-N 428.853 3.688 10 1 IHCF O=C(O)CN1C(=O)/C(=C/c2nc3cc(F)ccc3n2Cc2ccccc2F)SC1=S 1857648145 HJNGZOZQVOKDCV-PXNMLYILSA-N 445.472 3.649 10 1 IHCF CCOC(=O)[C@@H](O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C 40429938 QMMAGKWGLWQMID-NRFANRHFSA-N 431.485 3.592 10 1 IHCF COC(=O)C1CN(c2ccc([C@@H]3NC4(CC4)Cc4ccc(Br)cc43)cc2)C1 961614319 KUBWEOKINXBUGD-FQEVSTJZSA-N 427.342 3.826 10 1 IHCF CS(=O)(=O)N1CCc2c(ccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2N)C1 586954399 BCSDWDLEGVSYKT-UHFFFAOYSA-N 449.536 3.504 10 1 IHCF COc1cc2c(cc1OC)[C@@](C)(c1ccc(N3CCC(C(N)=O)CC3)cc1)N(C)[C@H](C)C2 962634005 PSGHGPFQACCCOF-WGDIFIGCSA-N 437.584 3.545 10 1 IHCF CC(C)CN(Cc1ccc(N2CC[C@H](N(C)C)C2)cc1)S(=O)(=O)Cc1ccccc1 147260779 JKJIISSKXIMRBK-DEOSSOPVSA-N 429.630 3.815 10 1 IHCF Cc1c(CCN2CCOCC2)c2cc(Br)ccc2n1CC(=O)NC1CCCC1 1857587986 NQTSAIIGSOPHFP-UHFFFAOYSA-N 448.405 3.646 10 1 IHCF Cc1cc2c(/N=N/C(=N)S)c(O)n(CN3CCN(C)CC3)c2cc1Br 28474591 JBRPDNDLTYQXDC-FMQUCBEESA-N 425.356 3.571 10 1 IHCF CC(=O)Nc1cccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2ccc(N(C)C)cc2)O3)c1 61907539 IDSCYNWYQKAQNR-AREMUKBSSA-N 444.535 3.783 10 3 IHCF COc1cc(NS(=O)(=O)c2ccc(C)cc2)cc2c1NS(=O)(=O)c1ccccc1-2 1508717 ZWWPGCVFZGDTMV-UHFFFAOYSA-N 430.507 3.586 10 1 IHCF COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(F)c(O)c(F)c3)cc2)cc1 64448992 NGIJPEVBGICFFB-UHFFFAOYSA-N 434.420 3.732 10 1 IHCF CC(=O)Nc1cc(O)c(Cn2nc(-c3ccc(C(F)(F)F)cc3)oc2=O)cc1Cl 35242383 BYCRLWZYHCYFOZ-UHFFFAOYSA-N 427.766 3.888 10 1 IHCF COc1cc2c3c(c1)O[C@]1(C(=O)[C@@H](c4ccc(O)c(O)c4)Oc4ccc(C)cc41)[C@@H](C2)C3=O 587452004 CLJFRALPAFNJKD-NLRIEGLYSA-N 444.439 3.761 10 1 IHCF CCN(CC)CCCn1c2c(c3ccc(OC)cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3 653791270 CFKNYQDVBNRYNI-UHFFFAOYSA-N 434.492 3.682 10 1 IHCF O=S(=O)(Nc1ccc(F)cc1)[C@H](Cc1ccc(O)c(O)c1)c1nc2ccccc2[nH]1 96258580 WZUGIVGSTBXSTK-HXUWFJFHSA-N 427.457 3.839 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 587753751 WPQDUTKJGBIGEW-NZEQZMOCSA-N 447.260 3.941 10 1 IHCF COc1ccc(N2CCN(CC(=O)N[C@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)cc1 26173102 FIXQANXDJUWNLA-VWLOTQADSA-N 437.584 3.579 10 1 IHCF O=C(/C=C/c1ccccc1)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 59727634 GQGIIUWXMCBYIJ-UMMIVNDFSA-N 436.416 3.516 10 1 IHCF endogenous,in-man Cc1nn(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C)c1Br 586979047 PBORUWVQGJPVRF-UHFFFAOYSA-N 435.281 3.962 10 1 IHCF Cc1c(C=C2C(=O)NC(=S)NC2=O)c2ccccc2n1Cc1ccccc1C(F)(F)F 473090960 BIFFPHZKWXMNQB-UHFFFAOYSA-N 443.450 3.931 10 1 IHCF [N-]=[N+]=NCCN1C(=O)[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587575943 LJRKMXQBYZQSHR-WMZHIEFXSA-N 428.404 3.906 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)cc2O)N1 587771362 FYFHVJXBIWNEIL-LRTDBIEQSA-N 435.337 3.928 10 1 IHCF COc1cc2c3c(n(CCCN=[N+]=[N-])c(=O)c2cc1OC)-c1ccc(N(C)C)cc1C3=O 28711266 QAFPLMHPQNROJJ-UHFFFAOYSA-N 433.468 3.997 10 1 IHCF CCS(=O)(=O)Nc1ccc2c(c1)-c1cnc(O)c3c1c(cn3C)CN2c1ccccn1 1857760521 MGVZMPLAPFTVQW-UHFFFAOYSA-N 435.509 3.754 10 1 IHCF CCOC(=O)/C=C/c1c(O)c(OC)cc(NS(=O)(=O)c2cccs2)c1SC 209558188 NUOCRUVCTAFMCF-BQYQJAHWSA-N 429.541 3.561 10 1 IHCF CC(C)(C)OC(=O)N1CCC(c2ccnc3c2C(=O)c2sc([N+](=O)[O-])cc2C3=O)CC1 1857644180 NJGAKLVQBGSNSS-UHFFFAOYSA-N 443.481 3.941 10 1 IHCF CN(Cc1ccccc1)c1ccc([C@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 15936225 LRAIDOXRGBBBRS-FQEVSTJZSA-N 432.480 3.578 10 3 IHCF CN1CCc2c(Br)cccc2[C@@]1(C)[C@H]1C(=O)c2cccc([N+](=O)[O-])c2C1=O 963282905 ZXLVNXBMUWHOTD-PXNSSMCTSA-N 429.270 3.756 10 1 IHCF COc1ccc(S(=O)(=O)N2N=C(C)C[C@H]2c2cc(Br)ccc2O)cc1 653745712 OFIAJYMCMGPDKM-INIZCTEOSA-N 425.304 3.675 10 1 IHCF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)c3ccc(OC(F)(F)F)cc3)cc(O)c21 1857541098 SWDZPEMMSGWILO-SFHVURJKSA-N 430.334 3.854 10 1 IHCF [N-]=[N+]=NCCCNC(=O)[C@@H]1CC(=O)C[C@]2(C1)c1ccsc1CCN2Cc1cccnc1 963011606 NXADVMKFUBWLTR-VGOFRKELSA-N 438.557 3.583 10 1 IHCF O=C(NCc1ccc(N2CCN(Cc3ccccc3)CC2)c(F)c1)c1ccc([N+](=O)[O-])o1 28530829 GPXTYYHYFQWXFK-UHFFFAOYSA-N 438.459 3.579 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 587777128 ZHVZQBGBTLWLKU-ZSEKCTLFSA-N 434.353 3.805 10 1 IHCF O=C([C@@H]1Cc2ccccc2[C@@]2(CCc3c(Br)ccc(O)c32)N1)C(F)(F)F 962730044 LLENPRUFBRUPKK-KBXCAEBGSA-N 426.232 3.990 10 1 IHCF O=C(O)CCN1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S 84728658 XDYUHUHRCHTBQK-JYOAFUTRSA-N 430.290 3.776 10 1 IHCF COc1cc2c3c(c1)O[C@]1(C=C(c4cc(O)c(O)c(O)c4)Oc4ccccc41)[C@@H](C2)C3=O 587450013 CNFBIDZLDSUWHW-LMKMVOKYSA-N 430.412 3.888 10 1 IHCF C[C@H]1c2cc(O)c(O)cc2Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 85951222 NPBRJVGHXMYLEJ-QMMMGPOBSA-N 436.372 3.951 10 1 IHCF biogenic CC[C@@H](C)[C@@H](C(=O)O)N1Cc2c(cc(O)c(CC=C(C)CCC=C(C)C(=O)O)c2O)C1=O 2356722025 WJNCJJUXKGZWSO-VLIAUNLRSA-N 445.512 3.853 10 1 IHCF CC(=O)c1ccc2c(c1)[C@@H](c1c(C)cc(O)cc1O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962624372 BZRFWWNZEKOKHJ-RXVVDRJESA-N 441.480 3.945 10 1 IHCF CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1c(Cl)ccc(Cl)c1C2=O 29410873 MEDMSJJBYWXUQL-UHFFFAOYSA-N 449.382 3.716 10 1 IHCF COc1c(O)c(O)cc([C@@H]2C[C@H](O)C[C@H](CCc3ccc(O)cc3)O2)c1Cc1cnc[cH-]1 85596400 XUNDKPJTCFXYGE-MSYCTHLASA-N 438.500 3.731 10 1 IHCF biogenic,in-vitro Cc1oncc1C(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc4c(c3)OCCO4)C2)cc1 149645070 NGVYQVRIIPFWRH-INIZCTEOSA-N 433.508 3.719 10 1 IHCF COC1=CC[C@@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1cccc3c1c2CC3 587215739 MALBXZAZPLNGFU-PVPMGCCUSA-N 443.455 3.735 10 1 IHCF O=C(C1CCCC1)n1cnc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1 1911574182 XXPSSVTZQXENQC-UHFFFAOYSA-N 448.726 3.636 10 1 IHCF COc1cc(CCNC[C@@H](O)c2ccc(O)c(O)c2)ccc1OCCCc1ccccc1 653849301 PGSGTPNUOJTSEM-XMMPIXPASA-N 437.536 3.984 10 1 IHCF COc1cc(O)c(C(C)=O)c(O)c1C1=C(C)C=C(O)[C@@H]2C(=O)c3c(O)cccc3C(=O)[C@H]12 1857572117 JNTQGIRTFFYTRM-PZJWPPBQSA-N 436.416 3.555 10 1 IHCF O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1CCCC[C@H]1OC(=O)/C=C\c1ccc(O)c(O)c1 40499269 ABRIKWKVYABQBU-NWLCOTDZSA-N 440.448 3.633 10 1 IHCF COCCNc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1[N+](=O)[O-] 587265662 PWQFXZRUYPWCFH-UHFFFAOYSA-N 442.431 3.972 10 1 IHCF CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587756908 SGRUMAFYXMKZOG-YEJXKQKISA-N 435.337 3.995 10 1 IHCF CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 6074190 RIRMEWBXJSINDT-HFMPRLQTSA-N 438.549 3.737 10 1 IHCF CN1CC2=C(NC(=S)N[C@@H]2c2ccc(N(C)C)cc2)/C(=C/c2ccc(N(C)C)cc2)C1 59316072 RTMGHUMDCIUTIT-CMYVBNMBSA-N 433.625 3.621 10 1 IHCF CC[C@H](C)[C@@H](C(=O)O)N1Cc2c(cc(O)c(CC=C(C)CCC=C(C)C(=O)O)c2O)C1=O 2356722026 WJNCJJUXKGZWSO-XOBRGWDASA-N 445.512 3.853 10 1 IHCF Nc1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(Cl)ccc4C(=O)O)cc3C2=O)cc1 49036469 VFHBTGHQBQPMGP-UHFFFAOYSA-N 435.823 3.673 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)cc2O)N1 587772352 HIBLJPLXUDKOHY-YEJXKQKISA-N 435.337 3.928 10 1 IHCF CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccccc2C(=O)O)cc1 31894878 BENCLXJGOPPQNA-CJLVFECKSA-N 429.476 3.860 10 1 IHCF O=C(/C=C/c1ccc(O)c(O)c1)Oc1cccc(OC(=O)/C=C/c2ccc(O)c(O)c2)c1 1857762336 XSLJGLUSNARNHF-JMQWPVDRSA-N 434.400 3.747 10 1 IHCF C[C@@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1 29486607 QOTRYAMHCKKTQD-NPNWRTNISA-N 432.564 3.962 10 1 IHCF Cc1ccc(Nc2nc(/N=N/Cc3ccc4c(c3)OCO4)nc(N3CCOCC3)n2)cc1 169689509 YXQASCNBYGCYTC-WEMUOSSPSA-N 433.472 3.773 10 1 IHCF CCCCS(=O)(=O)N[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C(C)C 586932818 JAIFJHHSDJTUKM-LJQANCHMSA-N 439.537 3.755 10 1 IHCF COc1ccc(O)c([C@@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587809473 QOJJFSXAXICPEN-BIBXISHDSA-N 438.293 3.945 10 1 IHCF O=c1[nH]nc(Sc2ncc([N+](=O)[O-])s2)n1-c1ccc(COc2ccccc2)cc1 40847565 QWPYKIFJOOWEMU-UHFFFAOYSA-N 427.467 3.656 10 1 IHCF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587194277 PIAZGAHFXBAKTC-GOSISDBHSA-N 448.523 3.856 10 1 IHCF CC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3[n+](C)c2c1 26846767 XTLHFOZBQOPDMU-UHFFFAOYSA-O 435.529 3.891 10 1 IHCF CC1(C)C[C@]2(CN(Cc3ccc(N)cc3)C(=O)CO2)c2cc(Br)ccc2O1 35079520 FRUCBGIEGKQLEL-NRFANRHFSA-N 431.330 3.847 10 1 IHCF COc1c(O)c(O)cc([C@@H]2C[C@@H](O)C[C@H](CCc3ccc(O)cc3)O2)c1Cc1cc[nH]c1 2356371510 KYTYEKQKHRTUFH-YDHSSHFGSA-N 439.508 3.945 10 1 IHCF CCOc1ccccc1C(=O)C(=O)[C@H]1C(=O)N(c2nc(-c3ccccc3)cs2)N=C1C 299865772 UMGNFVLTIYHFNC-IBGZPJMESA-N 433.489 4.000 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 587772608 IGMIACYLPUFEKF-ASSNKEHSSA-N 434.353 3.805 10 1 IHCF Nc1ccc(Oc2ccc3nc(CC[C@H](N)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1 587271101 ALUVSBLQOPYCRZ-IBGZPJMESA-N 446.467 3.744 10 1 IHCF O=S(=O)(Nc1ccc(F)cc1)[C@@H](Cc1ccc(O)c(O)c1)c1nc2ccccc2[nH]1 96258581 WZUGIVGSTBXSTK-FQEVSTJZSA-N 427.457 3.839 10 1 IHCF C[C@@H](NC(=S)/C=C/c1ccc(O)c(O)c1Br)c1cc(O)c(O)c(O)c1 169685059 ZPQJNUXIXGANHC-RYEJSQLPSA-N 426.288 3.669 10 1 IHCF O=S(=O)(Nc1cn(CC2CCCC2)cn1)c1cc(Br)cc(Cl)c1O 1911586254 JCNFDVNFZYOCKC-UHFFFAOYSA-N 434.743 3.996 10 1 IHCF CN1CCN(Cc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O)CC1 587594097 LAPMNVZIQRNXBR-OZXSUGGESA-N 446.503 3.548 10 1 IHCF Cc1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)c2nn(-c3ccccc3)c(C)c12 8594964 PRWHNZBWZHQJRX-UHFFFAOYSA-N 446.580 3.907 10 1 IHCF C[C@H]1C=C[C@@H](C)N1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12 35064887 PGDRZNPTPKOVAJ-TXEJJXNPSA-N 448.957 3.935 10 1 IHCF COc1cc(C/N=N/c2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc(OC)c1O 169722474 ZFTYWMHWJJXSLD-SLEBQGDGSA-N 441.536 3.859 10 1 IHCF COc1cc(/C=C2/C(=O)O[C@@H](c3ccc(O)c(O)c3)[C@@H]2c2cc(O)cc(O)c2)ccc1O 210468600 IBZKQAXTWQRPIW-RNLXWWHBSA-N 436.416 3.689 10 1 IHCF COc1ccc(S(=O)(=O)N2N=C(C)C[C@@H]2c2cc(Br)ccc2O)cc1 653745717 OFIAJYMCMGPDKM-MRXNPFEDSA-N 425.304 3.675 10 1 IHCF CC1=C2[C@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1OC(=O)/C=C/c1ccc(N(C)C)cc1 169350258 WSBRLYLRTOYRBT-QNNLAROASA-N 439.552 3.737 10 1 IHCF Cn1c(O)c(/N=N\C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 8685519 HRWXGUUUFKUJDX-FCQUAONHSA-N 426.498 3.983 10 1 IHCF Nc1ccc(Oc2ccc3nc(C[C@H](NC(=O)OCc4ccccc4)C(=O)O)[nH]c3c2)cc1 587201640 ALHSVALKSGPMJN-NRFANRHFSA-N 446.463 3.860 10 1 IHCF CN1[C@H]2C[C@@H]3[C@H](CO[C@](C)(O)[C@@H]3CC(=O)c3ccco3)[C@H]1Cc1c2n(C)c2ccccc12 2356412745 YVYNTJLGNMGSJB-NCKYWBIVSA-N 434.536 3.933 10 1 IHCF O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1)c1cc(F)c(F)c(F)c1 28382232 RQRYZVVXMOMVSI-TZIWHRDSSA-N 448.349 3.828 10 1 IHCF CC1(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H](O)[C@@]34Cc3c(O)c(O)cc(C=O)c3O4)[C@]2(C)CC[C@H]1O 2356731621 UAJIAJOUVSPPNY-QKWJUSINSA-N 444.568 3.958 10 1 IHCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2ccco2)c1 29124993 LYEHRVKYPJXJSY-CALCHBBNSA-N 441.553 3.943 10 1 IHCF Nc1c(S(=O)(=O)O)cc(Nc2ccccc2Cl)c2c1C(=O)c1ccccc1C2=O 1772576966 FCDNXKYADBFANH-UHFFFAOYSA-N 428.853 3.688 10 1 IHCF CCOc1ccc(-c2nn(C(=O)c3ccc(O)c(O)c3)c(=O)c3ccccc23)cc1OCC 587672536 XDURMFFIYYYWLQ-UHFFFAOYSA-N 446.459 3.961 10 1 IHCF O=C1C(=Cc2ccc(O)c(O)c2)C(=O)N(Cc2ccccc2)C(=O)N1Cc1ccccc1 299857049 DQICKYNJIOXFEC-UHFFFAOYSA-N 428.444 3.672 10 1 IHCF C[C@@]1(c2ccc(O)c(CN3CCOCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594155 LPAPVFUNSYGHEP-OZXSUGGESA-N 447.487 3.807 10 1 IHCF O=[N+]([O-])/C=C/c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2 117244455 FSPXHOYKWHUYNZ-DHZHZOJOSA-N 440.569 3.537 10 1 IHCF CN(C)c1ccc(C2=C(N3CCOCC3)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 95593246 NOXMIWOKUBFVJW-UHFFFAOYSA-N 446.334 3.676 10 1 IHCF COc1cc2c(c(Cl)c1Cl)C(=O)[C@@](CCN(C)CC(=O)O)(c1ccccc1)C2=O 28571783 TUEGQSDTELQDFR-NRFANRHFSA-N 436.291 3.726 10 1 IHCF CCOC(=O)CNc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 587224989 LTIYDOBPNCVSTD-UHFFFAOYSA-N 425.444 3.980 10 1 IHCF CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587754347 JMHCYLHINVFBLG-YEJXKQKISA-N 435.337 3.995 10 1 IHCF O=C(CNC(=O)c1ccc(Br)cc1)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 299812978 ISNIYEBNFLLQQX-UHFFFAOYSA-N 446.217 3.585 10 1 IHCF CC(=O)N1CCN(c2ccc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587768432 VELZQPOREBRGDJ-JLCFBVMHSA-N 446.364 3.880 10 1 IHCF CC[C@@H](C)[C@H](C(=O)O)N1Cc2c(cc(O)c(CC=C(C)CCC=C(C)C(=O)O)c2O)C1=O 2356722023 WJNCJJUXKGZWSO-JLTOFOAXSA-N 445.512 3.853 10 1 IHCF CN1C(=O)C[C@H]2CN[C@]3(C=C(c4ccc(O)cc4)Oc4cc(O)cc(O)c43)c3cccc1c32 963022315 INGWRFRSIQMQPO-QWXGXRTQSA-N 442.471 3.534 10 1 IHCF CSc1ccc2c(cc1=O)[C@@H](NC(=O)c1ccccc1)CCc1cc(O)c(O)c(O)c1-2 1628471 PIDLHEGBDOTGSP-KRWDZBQOSA-N 435.501 3.970 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 587777013 YJLPLEHZBMXFNK-JLCFBVMHSA-N 449.364 3.924 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 587765955 LIYRVFBEHZRCGH-RCDICMHDSA-N 448.380 3.665 10 1 IHCF CN1C(=O)C[C@@H]2CN[C@]3(C[C@@H](c4ccccc4)Oc4cc(O)cc(O)c43)c3cccc1c32 963034464 YVHFFQIOWQCFFC-XRWSKCOISA-N 428.488 3.919 10 1 IHCF Cc1ccc2c(N3CCN(CCc4c(F)ccc5c4ccc(=O)n5C)CC3)cccc2n1 64559843 ATIOXJJZTVLJHG-UHFFFAOYSA-N 430.527 3.899 10 1 IHCF CC(=O)Oc1cccc2c1C(=O)c1c(c(O)c3cc([C@H](C)OC(C)=O)ccc3c1O)C2=O 15205734 JGZXYNWNAGLDOL-JTQLQIEISA-N 434.400 3.576 10 1 IHCF biogenic COCC(=O)Nc1ccccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 205038620 SWLZGLXPIUDNST-UHFFFAOYSA-N 430.386 3.692 10 1 IHCF C[C@]1(c2ccc(O)c(CN3CCOCC3)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587594154 LPAPVFUNSYGHEP-JYFHCDHNSA-N 447.487 3.807 10 1 IHCF COC(=O)C[C@@]1(c2ccc(OC)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807613 KSTKQFVMYHPOKL-YBTHPKLGSA-N 438.293 3.643 10 1 IHCF COc1cc(O)c(C(C)=O)c(O)c1C1=C(C)C=C(O)[C@@H]2C(=O)c3c(O)cccc3C(=O)[C@@H]12 1857572116 JNTQGIRTFFYTRM-FPOVZHCZSA-N 436.416 3.555 10 1 IHCF CCOc1ccc(/C=C2\SC(=S)N(CCNCc3ccc(C(=O)O)cc3)C2=O)cc1 473179368 GWTVSEKWJKUHKU-UYRXBGFRSA-N 442.562 3.775 10 1 IHCF Nc1ccc(Oc2ccc3nc(-c4nccnc4I)[nH]c3c2)cc1 587186840 WOFZJEXMMFFZHV-UHFFFAOYSA-N 429.221 3.999 10 1 IHCF CN1CCN(Cc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc2O)CC1 587594095 LAPMNVZIQRNXBR-JYFHCDHNSA-N 446.503 3.548 10 1 IHCF CCOC(=O)c1ccccc1-n1c(C)cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)c1C 13122293 QHAIEBOURHDECY-OAQYLSRUSA-N 428.496 3.717 10 3 IHCF COc1nc2ccccc2nc1C(=O)Nc1cc(CN2CCCC2)c(O)c(N2CCCC2)c1 40764022 LRCAPUZYLLCAIN-UHFFFAOYSA-N 447.539 3.792 10 1 IHCF CCN1C(=O)c2c(nc(Cc3ccccc3)n2Cc2ccc(N)cc2)N2C1=N[C@@H]1CCC[C@@H]12 28756146 OSHYLMJTLWVLQS-RTWAWAEBSA-N 440.551 3.677 10 1 IHCF Cc1[nH]n(-c2ccc(O)cc2)c(=O)c1/N=N/c1c(O)cc(S(=O)(=O)O)c2ccccc12 169325442 SNUQHZGLNAPCGN-QURGRASLSA-N 440.437 3.701 10 1 IHCF COc1cc(C[C@]2(Cc3ccccc3)NCCc3cc(O)c(O)cc32)cc(OC)c1OC 169325119 WNXOSRCQRUVELE-SANMLTNESA-N 435.520 3.950 10 1 IHCF C[C@H](CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)C(N)=O 169328172 OTAJKCWUSTVJCH-OAHLLOKOSA-N 434.521 3.995 10 1 IHCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(N2CCOC2=O)cc1 72123287 VSDILKRDXHTTSR-UHFFFAOYSA-N 433.464 3.525 10 1 IHCF COc1cc(CC[C@H](C[C@H](CCc2ccc(O)c(O)c2)OC(C)=O)OC(C)=O)ccc1O 13377918 AYGREUDCTXEMIK-VQTJNVASSA-N 446.496 3.631 10 1 IHCF biogenic COc1ccc([C@@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587807997 MMAIYANOTJUCJL-PRWKNARSSA-N 438.293 3.945 10 1 IHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cnn4cc(Br)cnc34)[nH]c21 587008112 HNBCFGQQAJMSGI-UHFFFAOYSA-N 444.248 3.811 10 1 IHCF O=C(CCN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)Nc1cccc2nonc12 33584447 TVPSIKNFXCZGDK-HRVGAVMWSA-N 426.479 3.602 10 1 IHCF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1cc(O)c(O)c(O)c1 963855758 STDDIRPTVWLKHY-FOIQADDNSA-N 429.469 3.838 10 1 IHCF CC(C)CCC[C@@H](CO)CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O 13327768 BJPDLHRRYKJTMN-OAHLLOKOSA-N 440.492 3.741 10 1 IHCF biogenic O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2c(O)cc(Br)cc2F)N1 962960308 FPCLLSHJXHQASI-BMIGLBTASA-N 436.611 3.914 10 1 IHCF CC(=O)N1CCN(c2ccc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587764651 GOUSHWLPRPABOC-PEBXRYMYSA-N 446.364 3.880 10 1 IHCF COc1cc2c3c(c1)O[C@@]1(C=C(c4cc(O)c(O)c(O)c4)Oc4ccccc41)[C@@H](C2)C3=O 587450011 CNFBIDZLDSUWHW-IVCQMTBJSA-N 430.412 3.888 10 1 IHCF C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1 253704958 QOTRYAMHCKKTQD-FBAONFGXSA-N 432.564 3.962 10 1 IHCF COc1c(O)c(O)cc([C@@H]2C[C@H](O)C[C@@H](CCc3ccc(O)cc3)O2)c1Cc1cc[nH]c1 2356371509 KYTYEKQKHRTUFH-PWHSHALESA-N 439.508 3.945 10 1 IHCF CN1C(=O)C[C@@H]2CN[C@@]3(C[C@@H](c4ccccc4)Oc4cc(O)cc(O)c43)c3cccc1c32 963034461 YVHFFQIOWQCFFC-BVRTZSTKSA-N 428.488 3.919 10 1 IHCF COc1c(O)c(O)cc([C@@H]2C[C@@H](O)C[C@@H](CCc3ccc(O)cc3)O2)c1Cc1cc[nH]c1 2356371511 KYTYEKQKHRTUFH-YYDVJCTNSA-N 439.508 3.945 10 1 IHCF O=S(=O)(Nc1cc(Sc2nnn[nH]2)c(O)c2ccccc12)c1ccc(Cl)s1 84758022 LHCVLEPEBGSBIM-UHFFFAOYSA-N 439.931 3.725 10 1 IHCF Cc1c(CCOCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)c(F)c1 95591509 IGNCTIUFLBYWPS-UHFFFAOYSA-N 435.492 3.686 10 1 IHCF CN(C)C(=O)Cc1nn(-c2ccccc2)c(=O)c2c1c1ccc(Cl)cc1n2CCCF 473114294 MOEBBVLCYBQRPU-UHFFFAOYSA-N 440.906 3.984 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 587768762 WBLZZYUFAIWDOR-QKVFXAPYSA-N 430.321 3.918 10 1 IHCF CC(=O)Nc1ccc(O)c([C@@]2(CCC(=O)O)c3cccc(Br)c3CCN2C)c1 963288415 ALMPCWKFJGXMQN-OAQYLSRUSA-N 447.329 3.709 10 1 IHCF CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c(CN2CCOCC2)c1O 23224677 AKJZEMOOIFNPJR-UHFFFAOYSA-N 431.492 3.746 10 3 IHCF COc1cc(CC[C@@H](C[C@@H](CCc2ccc(O)c(O)c2)OC(C)=O)OC(C)=O)ccc1O 13377921 AYGREUDCTXEMIK-UXHICEINSA-N 446.496 3.631 10 1 IHCF biogenic CCOc1n[nH]c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1Br 586980170 PDZVMNUZJADTNQ-UHFFFAOYSA-N 437.253 3.890 10 1 IHCF Cc1ccc(NC(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)cc1 66251530 OYCATLNGOHIBCB-IFMALSPDSA-N 439.420 3.817 10 1 IHCF NS(=O)(=O)c1ccc(/N=N/c2c(O)[nH]c3cccc(I)c23)cc1 13470431 FPRLDACYCIWFIM-VHEBQXMUSA-N 442.238 3.541 10 1 IHCF COc1cc(C=C2C(=O)O[C@H](c3ccc(O)c(O)c3)[C@@H]2c2cc(O)cc(O)c2)ccc1O 2356517379 IBZKQAXTWQRPIW-DHIUTWEWSA-N 436.416 3.689 10 1 IHCF O=C1c2ccccc2-c2nc3nc(O)[nH]c(=O)c3c(-c3ccc(F)c(Br)c3)c21 71317670 HDQPDXSHFDUCAW-UHFFFAOYSA-N 438.212 3.804 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 587767079 QFFVLKCZXFGHNN-FPTDNZKUSA-N 449.364 3.667 10 1 IHCF CC(C)Nc1cc(NCC2CCOCC2)c2ncc(-c3ccc(C(=O)NC4CC4)cc3)n2n1 299864141 MBAODXXZPSUOLY-UHFFFAOYSA-N 448.571 3.947 10 1 IHCF [N-]=[N+]=NC[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O 13809514 MQQQFNSCNYGQRJ-ZDXOVATRSA-N 443.467 3.771 10 1 IHCF CCOC(=O)c1ccc2c(c1)nc(-c1ccc(N(C)C)cc1)n2CCCN1CCCC1=O 169353522 NHBCTKZIFNCBIM-UHFFFAOYSA-N 434.540 3.959 10 1 IHCF O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OCCc1ccsc1 26566558 WLFMQOFGCCECOR-UHFFFAOYSA-N 428.598 3.974 10 1 IHCF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2c(O)cc(Br)cc2F)N1 962960325 FPCLLSHJXHQASI-ZUZCIYMTSA-N 436.611 3.914 10 1 IHCF [N-]=[N+]=NCCCNC(=O)[C@@H]1CC(=O)C[C@]2(C1)NC1(CC1)Cc1ccc(Br)cc12 961613395 HOAKHAMMSBLHEB-VLIAUNLRSA-N 446.349 3.509 10 1 IHCF CN1OC[C@@H]2CN(S(=O)(=O)c3ccccc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 95570592 SNZKDKGYZXGSRW-OYDLWJJNSA-N 441.597 3.674 10 3 IHCF CNCCNc1c2c(c(NCCNC)c3oc(C(C)(C)C)cc13)C(=O)c1ccccc1C2=O 66101165 RVKHDKXRRSWCNM-UHFFFAOYSA-N 448.567 3.768 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 587726125 USOQQOZSQYIWMB-ZSEKCTLFSA-N 436.344 3.935 10 1 IHCF COc1cc(OC)c(N2CCC3(CC2)NCCc2ccc(C(=O)N(C)C)cc23)cc1Cl 962927334 QNAMLARWYXECCM-UHFFFAOYSA-N 443.975 3.700 10 1 IHCF COc1ccc(-c2c[nH]c3c2C(=O)c2ccn(S(=O)(=O)c4ccc(C)cc4)c2C3=O)cc1 45284739 UZPRTKRKTADTGF-UHFFFAOYSA-N 446.484 3.813 10 1 IHCF Cc1cccc2c(Nc3cc(N)cc(CO)c3)c3cccc(C(=O)NCCN(C)C)c3nc12 27524550 BXSUVYBYGMGNQF-UHFFFAOYSA-N 443.551 3.806 10 1 IHCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(O[C@H]4CCOC4)cc3F)C2)cc1 1772587364 NHLXDKZWUVOZDX-SSKFGXFMSA-N 428.504 3.848 10 1 IHCF O=C(CN1CCOCC1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc(Cl)ccc1O 299863103 KQFLHIIRYFUQFT-IBGZPJMESA-N 434.323 3.709 10 1 IHCF O=S(=O)(c1cccc2ccccc12)N1CCN(Cc2ccc3cccnc3c2O)CC1 53295966 GGIPYWAQEINZFD-UHFFFAOYSA-N 433.533 3.600 10 1 IHCF Cc1cc(C)cc(C(=O)N[C@@H](CC(N)=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c1 15936206 UZBZTTPBOPTMDG-FQEVSTJZSA-N 438.528 3.939 10 3 IHCF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1CC(N)=O 587578115 QGRMEPHBQIYNAP-DHLKQENFSA-N 428.444 3.844 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 587777124 ZHVZQBGBTLWLKU-ASSNKEHSSA-N 434.353 3.805 10 1 IHCF COc1ccc(N2CCN(c3ncc(C(O)(C(F)(F)F)C(F)(F)F)s3)CC2)cc1 64541000 XZFIFPBHHNPPKV-UHFFFAOYSA-N 441.397 3.791 10 1 IHCF CN1CCc2c(Br)cccc2[C@]1(C)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 963269684 LOMUENPHRUOTPB-NRFANRHFSA-N 446.345 3.945 10 1 IHCF COc1cc2c(cc1O)C[C@@H]1c3cc(O)c(O)cc3C[C@H]3c4cc(O)c(O)cc4CC[N@+]231 255260408 QAXHHTKPOZDKNR-ANSQWYIGSA-O 434.468 3.681 10 1 IHCF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(O)c(O)c2O)N1C(=O)c1ccccc1 963418034 RWQWFNXSUNLUSN-GHTZIAJQSA-N 444.443 3.526 10 1 IHCF CN1CCN(Cc2cc(Cl)cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2O)CC1 1857640930 VUDSGFQUWCVFNM-UHFFFAOYSA-N 443.853 3.944 10 1 IHCF C[C@@]1(c2ccc(O)c(CN3CCOCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594152 LPAPVFUNSYGHEP-BVAGGSTKSA-N 447.487 3.807 10 1 IHCF COc1ccc2c(c1OC)[C@]1(CCc3c1ccc(O)c3O)N(C(=O)c1ccccc1N)CC2 963138674 KBKQTMFZNWTROX-AREMUKBSSA-N 446.503 3.586 10 1 IHCF CN(C)CCNc1ccc(Cl)c2c1C(=O)c1c(Cl)ccc(NCCN(C)C)c1C2=O 29406099 VAXHXNLYZPMCOH-UHFFFAOYSA-N 449.382 3.716 10 1 IHCF COc1cc2cc3c(c(O)c2c2oc4c(c12)C(=O)c1c(O)cccc1C4=O)C(=O)O[C@@H](C)C3 14885093 XDRBKHYDHHVGOZ-VIFPVBQESA-N 444.395 3.883 10 1 IHCF biogenic CN1[C@H]2C[C@@H]3[C@H](CO[C@](C)(O)[C@H]3CC(=O)c3ccco3)[C@H]1Cc1c2n(C)c2ccccc12 2356412746 YVYNTJLGNMGSJB-ONCGMFTRSA-N 434.536 3.933 10 1 IHCF Oc1cc(O)c([C@@]2(Cc3ccc(Br)cc3)NCCc3ccc(O)cc32)c(O)c1 963352997 OKCSUGNHMJCNSQ-QFIPXVFZSA-N 442.309 3.904 10 1 IHCF [N-]=[N+]=NCCCNC(=O)[C@H]1CC(=O)C[C@@]2(C1)NC1(CC1)Cc1ccc(Br)cc12 961613391 HOAKHAMMSBLHEB-VBKZILBWSA-N 446.349 3.509 10 1 IHCF O=C1c2ccccc2C(=O)c2c1nnn2-c1cc(F)c(-c2cc(CO)ccc2F)c(F)c1 1911576293 JWRMSFLQXIFPOJ-UHFFFAOYSA-N 435.361 3.619 10 1 IHCF CC(C)c1ccc(-c2nc3c(n2CCN2CCOCC2)C(=O)c2ccccc2C3=O)cc1 1857752055 FUERJEIKOWLIHZ-UHFFFAOYSA-N 429.520 3.781 10 1 IHCF CN(C)S(=O)(=O)c1ccc(OCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 586932254 XYRBCCMWLHYVDJ-UHFFFAOYSA-N 438.509 3.767 10 1 IHCF COC[C@]1(c2c(O)cc(OC)cc2OC)c2cccc(F)c2CCN1[C@H]1CCSC1 962703224 HZBWKYJXNGVOMI-NPMXOYFQSA-N 433.545 3.802 10 1 IHCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(I)cc34)[C@H]21 95552253 XDYOPSPVHBQTNY-SFHVURJKSA-N 429.261 3.919 10 1 IHCF COC[C@@]1(c2c(O)cc(OC)cc2OC)c2cccc(F)c2CCN1[C@H]1CCSC1 962703226 HZBWKYJXNGVOMI-WNSKOXEYSA-N 433.545 3.802 10 1 IHCF COc1ccc(N2CCNCC2)cc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1 72178081 SULXDXZNCPQTOL-UHFFFAOYSA-N 435.919 3.607 10 1 IHCF COc1cc2c(cc1OC)[C@@H](c1ccc(I)cc1O)N(C)[C@@H](C)C2 962620335 GFBBTXAULQQNKJ-JEOXALJRSA-N 439.293 3.980 10 1 IHCF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1c(ccc(O)c1O)C(=O)c1c(O)ccc(O)c12 587529818 FAHFDGYVPVVSAI-AREMUKBSSA-N 444.439 3.841 10 1 IHCF CCCN(C(=O)CC(=O)O)C1=C(C)C[C@@H](c2ccccc2)N(Cc2ccc(N)cc2)C1=O 28869586 GMSXKCPQIGTWJP-NRFANRHFSA-N 435.524 3.730 10 1 IHCF O=C(c1ccc([N+](=O)[O-])o1)N1CCc2cc(N3CCN(Cc4ccccc4)CC3)ccc2C1 35920810 YNXMIJVPYQYYNS-UHFFFAOYSA-N 446.507 3.709 10 1 IHCF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2c(O)cc(Br)cc2F)N1 962960324 FPCLLSHJXHQASI-MEBBXXQBSA-N 436.611 3.914 10 1 IHCF COc1cc2c3c(c1)O[C@H](c1c(C)n(C[C@H](O)CN4CCCC4)c4ccccc14)[C@@H](C2)C3=O 587445310 USJPRUKGZKFJTQ-AIFCEMJISA-N 446.547 3.904 10 1 IHCF [N-]=[N+]=NCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587575942 LJRKMXQBYZQSHR-CVDCTZTESA-N 428.404 3.906 10 1 IHCF COc1cccc2cc3c(nc12)[C@](C)(c1ccc(N2CCC(C(=O)O)CC2)cc1)NCC3 963049757 AOWIBSNWIROEPC-SANMLTNESA-N 431.536 3.954 10 1 IHCF CN1CCN(C(=O)NCc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2O)CC1 29232924 QHSLSGPCLNVADG-UHFFFAOYSA-N 425.920 3.794 10 1 IHCF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3ccccc3F)CC1)C(C)(C)C2 29569941 FBAYEBSHUKYYFZ-XMMPIXPASA-N 425.548 3.710 10 1 IHCF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(O)c(O)c2O)N1C(=O)c1ccccc1 963418043 RWQWFNXSUNLUSN-RXVVDRJESA-N 444.443 3.526 10 1 IHCF CC(=O)Nc1ccc(-c2ccnc3c2C[C@@](C)(C(=O)NCc2ccc(N(C)C)cc2)O3)cc1 61904405 MYNFQOJVOVULJR-SANMLTNESA-N 444.535 3.783 10 3 IHCF O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1CCCC[C@@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 5939672 ABRIKWKVYABQBU-IATRBJTHSA-N 440.448 3.633 10 1 IHCF Cc1nccn1CC(=O)N(c1ccc(N)cc1)[C@H](C(=O)NC(C)(C)C)c1ccsc1 140326947 PIZBCXKAYVNNKU-FQEVSTJZSA-N 425.558 3.524 10 1 IHCF CC(=O)N1CCN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587768439 VELZQPOREBRGDJ-RCDICMHDSA-N 446.364 3.880 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)cc2O)N1 587772354 HIBLJPLXUDKOHY-ZSEKCTLFSA-N 435.337 3.928 10 1 IHCF C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1 40676431 QOTRYAMHCKKTQD-APODVTEOSA-N 432.564 3.962 10 1 IHCF O=C(CN(C(=O)c1cc(O)c(O)c(O)c1)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 1772606790 MPPVDDZHUAMPMB-UHFFFAOYSA-N 436.508 3.535 10 1 IHCF COc1cc2c(cc1OC)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN=[N+]=[N-])C2=O 35079964 NDLSGLJKKMUKJQ-UHFFFAOYSA-N 435.396 3.839 10 1 IHCF CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587756904 SGRUMAFYXMKZOG-ASSNKEHSSA-N 435.337 3.995 10 1 IHCF COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCc1ccc(N)cc1 1772599836 OUCDMFZWSRJXEG-UHFFFAOYSA-N 439.585 3.781 10 1 IHCF COc1ccc(N2CCN(CC(=O)N[C@@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)cc1 26173097 FIXQANXDJUWNLA-RUZDIDTESA-N 437.584 3.579 10 1 IHCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2ccnn2C)cc1 72124934 ODYRIGCZGYIKFE-UHFFFAOYSA-N 428.492 3.969 10 1 IHCF C[C@@H](CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)C(N)=O 169328170 OTAJKCWUSTVJCH-HNNXBMFYSA-N 434.521 3.995 10 1 IHCF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(O)cc(O)c(O)c21 587487393 ZMWKEQMWJFUKMR-RUZDIDTESA-N 432.428 3.915 10 1 IHCF C[C@H](O)[C@H](C)OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1 29486616 QOTRYAMHCKKTQD-BFZYAMCYSA-N 432.564 3.962 10 1 IHCF COc1ccc([C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@@]23Cc2ccccc2C3=O)cc1 84728745 GKMVPKCXWSAMOC-HOFKKMOUSA-N 437.495 3.968 10 1 IHCF O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OCCCCCCO[N+](=O)[O-])cc(O)c12 96273322 FLDSJZRFTQZMMV-UHFFFAOYSA-N 431.397 3.724 10 1 IHCF CCOC(=O)CCOCCCOCCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587567364 GYZJCLKBAIDXHJ-UHFFFAOYSA-N 427.501 3.856 10 1 IHCF COc1ccc(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587809477 QOJJFSXAXICPEN-GIPWTMENSA-N 438.293 3.945 10 1 IHCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(N)=O)cccc12 29468657 NBVLDIKQZBGUPD-UHFFFAOYSA-N 435.509 3.644 10 1 IHCF COc1cc([C@@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc(OC)c1OC 45255134 YAMYUSWQXQMICB-FQEVSTJZSA-N 433.464 3.805 10 1 IHCF CCC1(O)CCC(C)(C(=O)Nc2nc3c(OC)ccc(N4CCOCC4)c3s2)CC1 1772611602 IORLBYTXGBSKRB-UHFFFAOYSA-N 433.574 3.801 10 1 IHCF CC[C@H](C)[C@@H](C(=O)O)N1Cc2c(cc(O)c(C/C=C(\C)CC/C=C(\C)C(=O)O)c2O)C1=O 299870547 WJNCJJUXKGZWSO-KFGOBXQFSA-N 445.512 3.853 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 587767530 RLWJIZLFRJJKSA-XUSGNXJCSA-N 430.321 3.918 10 1 IHCF COc1cc2c(OC)cc3c(c2cc1OC)N(C)[C@@H](CO)c1c2c(cc(OC)c1-3)OCO2 299826006 OFSYBLRMGKTMPM-HNNXBMFYSA-N 439.464 3.753 10 1 IHCF CC(C)Oc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1Br 586948083 CAYAEXYQPUYORF-UHFFFAOYSA-N 440.319 3.857 10 1 IHCF COc1ccc2c3c(n(CCCN4CCCCC4)c(=O)c2c1)-c1cc2c(cc1C3=O)OCO2 653788948 HXRYZGBEXZVJMQ-UHFFFAOYSA-N 446.503 3.826 10 1 IHCF COc1ccc([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587806780 JJLWQIGQFVJBNV-GIPWTMENSA-N 438.293 3.945 10 1 IHCF COc1cc(-c2ccco2)ccc1S(=O)(=O)Nc1cccc(N2C[C@H](C)N[C@H](C)C2)c1 35998146 CKZDKCNWEMQSQN-CALCHBBNSA-N 441.553 3.943 10 1 IHCF Cc1c(CCOCCO[N+](=O)[O-])cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccccc1 95587143 IIFFGAKIUNZWTM-UHFFFAOYSA-N 444.509 3.624 10 1 IHCF O=C1[C@H](Cc2ccc(Cl)c(Cl)c2)SC(=S)N1NS(=O)(=O)c1ccccc1 28569041 VZULONSGKZOMMS-AWEZNQCLSA-N 447.390 3.658 10 1 IHCF C[C@H](NC(=S)/C=C/c1ccc(O)c(O)c1Br)c1cc(O)c(O)c(O)c1 169685060 ZPQJNUXIXGANHC-WGAJWPLOSA-N 426.288 3.669 10 1 IHCF Cc1c(C(=O)N2CCCC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1 40409100 TZWOXZDMIVGYTP-UHFFFAOYSA-N 443.956 3.990 10 1 IHCF COc1cc(/C=C2/C(=O)O[C@H](c3ccc(O)c(O)c3)[C@H]2c2cc(O)cc(O)c2)ccc1O 45391624 IBZKQAXTWQRPIW-IJBCTFMISA-N 436.416 3.689 10 1 IHCF CC(C)CN(Cc1ccc(N2CCC(CO)CC2)cc1)S(=O)(=O)Cc1ccccc1 224301846 RHZSWRUFSZTJMX-UHFFFAOYSA-N 430.614 3.883 10 1 IHCF COc1ccc(N2CCN(C(=O)c3cccc(Oc4ccc(C(N)=O)cc4)c3)CC2)cc1 1857638705 SGXJLFUFPRFIRK-UHFFFAOYSA-N 431.492 3.549 10 1 IHCF O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CCCC[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 1861204 ABRIKWKVYABQBU-QWNHMFSISA-N 440.448 3.633 10 1 IHCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 587407123 AHUYFMVCQNEPRJ-RDGATRHJSA-N 431.444 3.860 10 1 IHCF O=C(O)CN1C(=O)/C(=C/c2nc3ccccc3n2Cc2cccc(F)c2)SC1=S 1857657014 SAONYGJKJPLLSM-SXGWCWSVSA-N 427.482 3.510 10 1 IHCF COC1=CC[C@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1cccc3c1c2CC3 587215736 MALBXZAZPLNGFU-HAWMADMCSA-N 443.455 3.735 10 1 IHCF O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1CCC[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1 27558616 HALOOJXOGWGVKR-LVYKKDQKSA-N 440.448 3.633 10 1 IHCF CC1(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H](O)[C@]34Cc3c(O)c(O)cc(C=O)c3O4)[C@]2(C)CC[C@H]1O 2356731626 UAJIAJOUVSPPNY-XXOJYACTSA-N 444.568 3.958 10 1 IHCF CCC1(CC)C(=O)N(C(=O)NCc2ccc(N(C)C)cc2)[C@H]1Oc1ccc(C(=O)O)cc1 27208817 DRWDAVBHAUQXLA-QFIPXVFZSA-N 439.512 3.714 10 1 IHCF CCOC(=O)[C@H](O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C 40429936 QMMAGKWGLWQMID-OAQYLSRUSA-N 431.485 3.592 10 1 IHCF O=C1NC(=S)S/C1=C\c1ccc(OCc2cn(-c3ccc(Cl)cc3)nn2)cc1 1857585758 BQAMONBAWGMQHW-MFOYZWKCSA-N 428.926 3.989 10 1 IHCF COC(=O)c1ccc([C@H]2NC(c3ccc4c(c3)OCO4)=C[C@@H](c3ccccc3O)N2)cc1 102857127 XDDFDCNWARMUNW-RDPSFJRHSA-N 430.460 3.881 10 1 IHCF CCCCS(=O)(=O)NN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 13680725 RSVHLESONZNEEH-WQLSENKSSA-N 425.384 3.829 10 1 IHCF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@H](c2c(O)cc(Br)cc2F)N1 962960322 FPCLLSHJXHQASI-BONVTDFDSA-N 436.611 3.914 10 1 IHCF COc1cc2c3c(c1)O[C@@](c1cc(O)c(O)c([N+](=O)[O-])c1)(c1ccccc1F)[C@@H](C2)C3=O 587425445 CONSNKXBRNCPLN-WNSKOXEYSA-N 437.379 3.845 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 587769231 YIUQLOGVOHHRMV-RCDICMHDSA-N 448.380 3.665 10 1 IHCF CC(C)CN(Cc1ccc(N2C[C@H]3COC[C@H]3C2)cc1)S(=O)(=O)Cc1ccccc1 147291817 LLATZGVROYIRCM-ZRZAMGCNSA-N 428.598 3.757 10 1 IHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CN3CCN(Cc4ccccc4)CC3)[nH]c21 95586300 BSBJRAHTHHZLKB-UHFFFAOYSA-N 436.515 3.656 10 1 IHCF CN(C)c1ccc(/C=C2/C[C@](CO)(COC(=O)c3ccc(C(F)(F)F)cc3)OC2=O)cc1 40861803 CTNRCTCQUJORTJ-AAKHDSTQSA-N 449.425 3.690 10 1 IHCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(CN3CCN(c4ccccc4F)CC3)nc21 95586374 RBKZTENSAHTRBZ-UHFFFAOYSA-N 440.478 3.800 10 1 IHCF CCN1C(=O)C(=Cc2ccc(-c3cc(C(F)(F)F)nn3C)s2)C(=O)N(CC)C1=S 13487536 VRDSRHRPALUMEP-UHFFFAOYSA-N 442.488 3.546 10 1 IHCF CCOc1ccccc1/N=N/[C@@H]1C(=O)N(C(=O)CC(=O)Nc2ccccc2Cl)N=C1C 102936070 OOHFEHOTRHKUTO-VQERKYHCSA-N 441.875 3.965 10 1 IHCF CC1(C)[C@H]2CC[C@]3(C)[C@H](CC[C@@H](O)[C@@]34Cc3c(O)c(O)cc(C=O)c3O4)[C@]2(C)CC[C@H]1O 2356731624 UAJIAJOUVSPPNY-VIZSMTNASA-N 444.568 3.958 10 1 IHCF CCOC(=O)c1ccccc1-n1c(C)cc([C@H]2NC(N)=Nc3nc4ccccc4n32)c1C 13122294 QHAIEBOURHDECY-NRFANRHFSA-N 428.496 3.717 10 3 IHCF COc1cccc(CN(CCN(C)C)C(=O)c2cn(C)c3cc(-c4cn[nH]c4)ccc23)c1 73159703 CCYQJESCIMFJHW-UHFFFAOYSA-N 431.540 3.781 10 1 IHCF COc1cc2c(cc1OC)[C@H](c1ccc(I)cc1O)N(C)[C@@H](C)C2 962620339 GFBBTXAULQQNKJ-WLRWDXFRSA-N 439.293 3.980 10 1 IHCF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2c(ccc(O)c2O)C(=O)c2c(O)ccc(O)c21 587485291 VATAXIDVUHDKAJ-VWLOTQADSA-N 448.427 3.621 10 1 IHCF COc1cc2c(cc1OC)[C@H]1C(=O)c3cc4c(cc3[C@H]1N(CCCN=[N+]=[N-])C2=O)OCO4 26504401 MLSRLBFQFXMFTO-WOJBJXKFSA-N 436.424 3.610 10 1 IHCF CC(C)(C)OC(=O)N1CCN(c2ccc(OCc3ccc(S(C)(=O)=O)cc3)cc2)CC1 84731937 XEVQTJQCJMBCQP-UHFFFAOYSA-N 446.569 3.726 10 1 IHCF COc1ccc(/C=C/C(=O)OCc2cc(O)c3c(c2)C(=O)c2cccc(O)c2C3=O)cc1 103235135 RJHCHYHEHFGDLC-JXMROGBWSA-N 430.412 3.638 10 1 IHCF COC(=O)c1ccc([C@H]2NC(c3ccc4c(c3)OCO4)=C[C@H](c3ccccc3O)N2)cc1 102857138 XDDFDCNWARMUNW-YKSBVNFPSA-N 430.460 3.881 10 1 IHCF COC1=CC[C@H]([C@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1cccc3c1c2CC3 587215740 MALBXZAZPLNGFU-QWXGXRTQSA-N 443.455 3.735 10 1 IHCF Cc1ccc(N(C(=O)c2nnsc2C)[C@H](C(=O)NC(C)C)c2ccccc2O)cc1F 103222136 AQMWKNIXBWDORX-FQEVSTJZSA-N 442.516 3.912 10 1 IHCF COC(=O)C[C@]1(c2ccc(OC)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587807577 KSTKQFVMYHPOKL-BIBXISHDSA-N 438.293 3.643 10 1 IHCF COc1cc([C@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc(OC)c1OC 45255135 YAMYUSWQXQMICB-HXUWFJFHSA-N 433.464 3.805 10 1 IHCF COc1cc(C=C2C(=O)O[C@H](c3ccc(O)c(O)c3)[C@H]2c2cc(O)cc(O)c2)ccc1O 2356517382 IBZKQAXTWQRPIW-XZOQPEGZSA-N 436.416 3.689 10 1 IHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)O)cc3[nH]1)[C@@H]1CC=C[C@H]21 587277436 VYTLODSZXLDJAJ-KSMMKXTCSA-N 426.454 3.853 10 1 IHCF CN(C)C(=O)CCSc1cc(NS(=O)(=O)c2cccs2)c2ccccc2c1O 84652999 XMADQXBOEMQGTN-UHFFFAOYSA-N 436.580 3.978 10 1 IHCF CC(C)CN([C@H](C)c1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)Cc1ccccc1 224302888 CUKIISGUHRBFSM-OAQYLSRUSA-N 429.630 3.987 10 1 IHCF COC(=O)C[C@@]1(c2ccc(OC)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587811879 XQZBJKKVSNCFBE-GIPWTMENSA-N 438.293 3.643 10 1 IHCF COC(=O)C[C@@]1(c2ccc(OC)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587807609 KSTKQFVMYHPOKL-GIPWTMENSA-N 438.293 3.643 10 1 IHCF COc1cc2c(cc1OC)[C@H](c1ccc(I)cc1O)N(C)[C@H](C)C2 962620341 GFBBTXAULQQNKJ-WYRIXSBYSA-N 439.293 3.980 10 1 IHCF COc1cccc(N2CCN(C(=O)CN[C@@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)c1 26158035 KGBPNJJFPWWGNE-RUZDIDTESA-N 437.584 3.579 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 587765952 LIYRVFBEHZRCGH-FPTDNZKUSA-N 448.380 3.665 10 1 IHCF CCOc1ccc(OCC)c(N2C(=O)NC(=O)C(=Cc3c(C)n(C)c4ccccc34)C2=O)c1 2356780505 XULFLEAAXVHUJK-UHFFFAOYSA-N 447.491 3.951 10 1 IHCF COc1cc(O)c(C2=C(C)C=C(O)[C@H]3C(=O)c4c(O)cccc4C(=O)[C@@H]23)c(O)c1C(C)=O 1857607199 JVZATRWGHPFQRA-RTWAWAEBSA-N 436.416 3.555 10 1 IHCF CC(C)CCC[C@H](CO)CC(=O)OCc1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O 13327766 BJPDLHRRYKJTMN-HNNXBMFYSA-N 440.492 3.741 10 1 IHCF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 587777127 ZHVZQBGBTLWLKU-YEJXKQKISA-N 434.353 3.805 10 1 IHCF CCN(CC)c1ccc(/C=C/c2cc(=[N+]3CCN(C)CC3)c3ccccc3n2C)c(OC)c1 1772596787 YGZRGZAUXYMIOH-UHFFFAOYSA-N 445.631 3.921 10 1 IHCF COc1ccc(CC(=O)O)cc1C(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 84617526 MLAJCQYUIRABMM-UHFFFAOYSA-N 439.489 3.663 10 1 IHCF COc1cc(C=C2C(=O)O[C@@H](c3ccc(O)c(O)c3)[C@H]2c2cc(O)cc(O)c2)ccc1O 2356517380 IBZKQAXTWQRPIW-GOTSBHOMSA-N 436.416 3.689 10 1 IHCF COC[C@]1(c2c(O)cc(OC)cc2OC)c2cccc(F)c2CCN1[C@@H]1CCSC1 962703221 HZBWKYJXNGVOMI-IQMFZBJNSA-N 433.545 3.802 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 587764705 HCJPHFJHHGPSLP-FPTDNZKUSA-N 449.364 3.667 10 1 IHCF O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1CCC[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 13556346 HALOOJXOGWGVKR-DOYHIWHQSA-N 440.448 3.633 10 1 IHCF COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2cc(=O)n(C)cc2C(F)(F)F)nc1 209437452 IIOHETZMQIACSH-HIFRSBDPSA-N 446.429 3.756 10 1 IHCF COC(=O)C1CN(c2ccc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)C1 587763409 YJITYNSJJHXHIV-YUNKPMOVSA-N 433.321 3.821 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)cc2O)N1 587771368 FYFHVJXBIWNEIL-ZSEKCTLFSA-N 435.337 3.928 10 1 IHCF COc1cc(O)c(C(C)=O)c(O)c1C1=C(C)C=C(O)[C@H]2C(=O)c3c(O)cccc3C(=O)[C@H]12 1857572118 JNTQGIRTFFYTRM-TZIWHRDSSA-N 436.416 3.555 10 1 IHCF CC1(C)C[C@@]2(CN(Cc3ccc(N)cc3)C(=O)CO2)c2cc(Br)ccc2O1 35079518 FRUCBGIEGKQLEL-OAQYLSRUSA-N 431.330 3.847 10 1 IHCF CN1CC2=C(NC(=S)N[C@H]2c2ccc(N(C)C)cc2)/C(=C/c2ccc(N(C)C)cc2)C1 59316070 RTMGHUMDCIUTIT-YHSGTQGLSA-N 433.625 3.621 10 1 IHCF O=C(CN1CCOCC1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc(Cl)ccc1O 299863104 KQFLHIIRYFUQFT-LJQANCHMSA-N 434.323 3.709 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 587767084 QFFVLKCZXFGHNN-PEBXRYMYSA-N 449.364 3.667 10 1 IHCF O=c1oc2ccccc2c(O)c1C(c1cccc(O)c1O)c1c(O)c2ccccc2oc1=O 40860958 CIZAHXSEBMUOAJ-UHFFFAOYSA-N 444.395 3.902 10 1 IHCF CN1c2ccc(I)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@H]21 95553446 IMKSMJVHOPHQAX-SFHVURJKSA-N 429.261 3.919 10 1 IHCF COc1ccccc1N1CCN(CC(=O)N[C@@H]2c3c(O)c(C)cc(C)c3CC2(C)C)CC1 26166367 GVJKQLOPVQHCDH-RUZDIDTESA-N 437.584 3.579 10 1 IHCF O=C1/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)Sc2[nH]c(=O)c(-c3ccccc3)n[n+]21 169688051 ZLESZEOZBWKAAO-PDGQHHTCSA-O 445.436 3.680 10 1 IHCF NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1 15937486 HCQCFRVCGGULLA-OAQYLSRUSA-N 444.491 3.504 10 3 IHCF O=C1/C(=C/c2ccc(Cl)c(F)c2)SC(=S)N1NS(=O)(=O)c1ccccc1 13680698 UNAWJPJOWNPDTG-ZROIWOOFSA-N 428.919 3.574 10 1 IHCF Cc1cc([C@@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)c(C)n1-c1ccc(C(=O)O)cc1 962928761 SPBARPKUGBYDCK-AREMUKBSSA-N 431.536 3.903 10 1 IHCF CCN1CCN(c2cc(NCCN3CCCC3)c3c4c(onc24)-c2ccccc2C3=O)CC1 1772575988 GZIFIOAVOMFTHZ-UHFFFAOYSA-N 445.567 3.689 10 1 IHCF CCc1ccc(C(=O)N2CCCCC2)c(NS(=O)(=O)c2cccc3nsnc23)c1 40753683 MXWQMHKOKZDLSJ-UHFFFAOYSA-N 430.555 3.681 10 1 IHCF CCCOc1cc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2cc1Br 586948581 JNRRWGGHWVUCTA-UHFFFAOYSA-N 440.319 3.858 10 1 IHCF Cc1cc([C@]2(C)NCCc3ccc(C(=O)N(C)C)cc32)c(C)n1-c1ccc(C(=O)O)cc1 962928765 SPBARPKUGBYDCK-SANMLTNESA-N 431.536 3.903 10 1 IHCF Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1cc2c(CN=[N+]=[N-])cc(=O)oc2cc1C 49112271 RVMRSHJAYBXPEO-UHFFFAOYSA-N 429.414 3.929 10 1 IHCF COc1ccc([C@@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@]23Cc2ccccc2C3=O)cc1 299815214 GKMVPKCXWSAMOC-WNCULLNHSA-N 437.495 3.968 10 1 IHCF O=C(O)c1ccc2ccc(/C=C/c3cc(O)c(O)c(I)c3)nc2c1O 13807842 VHVZMHBNQVTTIP-DAFODLJHSA-N 449.200 3.825 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 587769227 YIUQLOGVOHHRMV-JLCFBVMHSA-N 448.380 3.665 10 1 IHCF CC1=C(C(N)=O)[C@@H](c2ccc(N3CCCC3)cc2)N2NC(SCc3ccccc3)=NC2=N1 473135228 GTCQMKNUFLASED-OAQYLSRUSA-N 446.580 3.566 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 587726123 USOQQOZSQYIWMB-LRTDBIEQSA-N 436.344 3.935 10 1 IHCF CS(=O)(=O)NCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 84689351 PXTOMLXDMCBLFQ-UHFFFAOYSA-N 438.549 3.713 10 1 IHCF CCOc1ccccc1/N=N/[C@H]1C(=O)N(C(=O)CC(=O)Nc2ccccc2Cl)N=C1C 102936069 OOHFEHOTRHKUTO-NZXNHFJFSA-N 441.875 3.965 10 1 IHCF COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(C)ccc4O[C@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587455175 KEEBRYKHYDAPII-CQEOPILBSA-N 444.439 3.918 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 587770990 DPZNZIVJJHFNSN-RCDICMHDSA-N 449.364 3.924 10 1 IHCF O=C(OCCCCCN1CCCCC1)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 209401580 YEZBUMMORQSHGZ-UHFFFAOYSA-N 437.492 3.686 10 1 IHCF COc1cc2c3c(c1)O[C@@]1(C(=O)c4cc(C)ccc4O[C@@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587455177 KEEBRYKHYDAPII-RBWOYHBQSA-N 444.439 3.918 10 1 IHCF CC(=O)c1ccc2c(c1)[C@H](c1cccc(O)c1O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962636256 YSVBNUVIGIDESX-HKUYNNGSSA-N 427.453 3.636 10 1 IHCF O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1CCC[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 13556344 HALOOJXOGWGVKR-FWWAJBAFSA-N 440.448 3.633 10 1 IHCF COC(=O)C[C@]1(c2ccc(OC)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811880 XQZBJKKVSNCFBE-PRWKNARSSA-N 438.293 3.643 10 1 IHCF O=C(Cc1cccs1)Nc1ccc(CCS(=O)(=O)/C=C/c2ccc(O)c(O)c2)cc1 1857753164 BLJJDEPVYLAWEK-JLHYYAGUSA-N 443.546 3.969 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 587770717 DPZNZIVJJHFNSN-FPTDNZKUSA-N 449.364 3.924 10 1 IHCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 587407126 AHUYFMVCQNEPRJ-WIOPSUGQSA-N 431.444 3.860 10 1 IHCF COc1cccc2c3c(cnc12)CCN[C@@]31c2ccccc2C(=O)c2cc(O)c(C)c(O)c21 963055723 JWXCWKANEGFXBU-MHZLTWQESA-N 438.483 3.945 10 1 IHCF COc1cc2c(cc1O)C[C@@H]1c3cc(O)c(O)cc3C[C@H]3c4cc(O)c(O)cc4CC[N+]231 42878861 QAXHHTKPOZDKNR-VEVGUTQDSA-O 434.468 3.681 10 1 IHCF CN1C(=O)C[C@H]2CN[C@]3(C[C@@H](c4ccccc4)Oc4cc(O)cc(O)c43)c3cccc1c32 963034457 YVHFFQIOWQCFFC-AWCXEYNZSA-N 428.488 3.919 10 1 IHCF Cc1cccc(COc2cccc(/C=C3\C(=O)NN(c4ccccc4[N+](=O)[O-])C3=O)c2)c1 40938544 IQJYAXUFAAVGIR-XSFVSMFZSA-N 429.432 3.944 10 1 IHCF O=C1CC(=O)N(C2=N[C@@H](c3cccc([N+](=O)[O-])c3)c3sc4ccc(Cl)cc4c3N2)N1 1857588725 ZGSMHLGFRJSOKF-INIZCTEOSA-N 441.856 3.597 10 1 IHCF COc1cc(CC[C@@H](C[C@H](CCc2ccc(O)c(O)c2)OC(C)=O)OC(C)=O)ccc1O 13377920 AYGREUDCTXEMIK-PMACEKPBSA-N 446.496 3.631 10 1 IHCF biogenic O=C(O)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2F)SC1=S 73224259 WTUBSRLYDJTGCO-YVLHZVERSA-N 439.493 3.964 10 1 IHCF COc1cc(C/N=N/c2cc(C)nc(NS(=O)(=O)c3ccc(C)cc3)n2)ccc1O 169689671 HONWETYAENBSTP-DARPEHSRSA-N 427.486 3.892 10 1 IHCF CN(C)C(=O)c1ccc2c(c1)C(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)NCC2 962930744 MJGGHQHBJDMMLO-UHFFFAOYSA-N 442.607 3.958 10 1 IHCF CCOc1cccc(CN2CCC[C@H](N3CCc4cc(OC)c(OC)cc4C3)C2)c1O 20866583 ARRSLQDGUDXOAX-NRFANRHFSA-N 426.557 3.831 10 3 IHCF COc1cc(O)c(C2=C(C)C=C(O)[C@H]3C(=O)c4c(O)cccc4C(=O)[C@H]23)c(O)c1C(C)=O 1857607198 JVZATRWGHPFQRA-NHCUHLMSSA-N 436.416 3.555 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 587767082 QFFVLKCZXFGHNN-JLCFBVMHSA-N 449.364 3.667 10 1 IHCF COc1cc(O)c(C2=C(C)C=C(O)[C@@H]3C(=O)c4c(O)cccc4C(=O)[C@H]23)c(O)c1C(C)=O 1857607197 JVZATRWGHPFQRA-LEWJYISDSA-N 436.416 3.555 10 1 IHCF CCOC(=O)c1cnn(-c2ccc(-c3cn(-c4ccc(N)cc4)nn3)cc2)c1C(F)(F)F 1857747506 IQHKPHKGQKFBOZ-UHFFFAOYSA-N 442.401 3.898 10 1 IHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)O)cc3[nH]1)[C@H]1CC=C[C@H]21 587277438 VYTLODSZXLDJAJ-NJSLBKSFSA-N 426.454 3.853 10 1 IHCF COc1c(O)cc(O)c2c1OC(c1ccccc1)=C[C@@]21N[C@H](C(=O)O)Cc2cc(F)ccc21 962898031 DXDLXOBFHJGKAZ-GKVSMKOHSA-N 449.434 3.522 10 1 IHCF COc1cccc([C@@H]2Nc3ccccc3CN2NS(=O)(=O)c2ccc(C)cc2)c1O 27329593 CTGQEIXKQDLWJH-JOCHJYFZSA-N 425.510 3.529 10 1 IHCF CN1C(=O)C(=Cc2cn(Cc3ccc(F)cc3)c3ccc(Cl)cc23)C(=O)N(C)C1=O 103235951 OZJZJHGJVXMXKN-UHFFFAOYSA-N 425.847 3.916 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 587768757 WBLZZYUFAIWDOR-GTJPDFRWSA-N 430.321 3.918 10 1 IHCF Cc1ccc(S(=O)(=O)N2CCC(C(=O)N=Nc3c(O)[nH]c4ccccc34)CC2)cc1 617960152 NMFWCQMNAGFLJQ-UHFFFAOYSA-N 426.498 3.893 10 1 IHCF CN1C(=O)C[C@H]2CN[C@@]3(C[C@@H](c4ccccc4)Oc4cc(O)cc(O)c43)c3cccc1c32 963034469 YVHFFQIOWQCFFC-YZKRRQQXSA-N 428.488 3.919 10 1 IHCF COc1cc2c(cc1OC)[C@@](C)(c1ccc(N3CCC(C(N)=O)CC3)cc1)N(C)[C@@H](C)C2 962633997 PSGHGPFQACCCOF-MRDQGFSESA-N 437.584 3.545 10 1 IHCF Cc1ccccc1CN1CCN(c2ncc(C(=O)NCc3ccc(N(C)C)cc3)s2)C1=O 205207740 GEHUCXRSVMTLAT-UHFFFAOYSA-N 449.580 3.890 10 3 IHCF O=C(c1ccccc1)N1CCN(C(=O)c2ccc(/C=C/c3ccc(O)c(O)c3)cc2)CC1 43013500 JZVZIRVDYIOALL-VOTSOKGWSA-N 428.488 3.866 10 1 IHCF O=C(c1ccncn1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnco2)cc1 38561311 GAOKHIDHUOBEGG-UHFFFAOYSA-N 440.868 3.817 10 1 IHCF COC(=O)c1c(O)ccc2c1c1c(n2Cc2ccccc2OC)C(=O)c2ccccc2C1=O 1663096 YVKQDTLXUXEOEW-UHFFFAOYSA-N 441.439 3.966 10 1 IHCF COc1cc(OCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1[N+](=O)[O-] 587262318 QZSQVGPNKCBLHL-UHFFFAOYSA-N 429.388 3.834 10 1 IHCF Cc1cc(O)c2c3c4c(cc(O)c13)C(C)(C)C(=O)c1c(O)c(CN(C)C)c(O)c(c1-4)C2=O 1857631476 VIGQRFHVULMYOM-UHFFFAOYSA-N 433.460 3.718 10 1 IHCF O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OCCOc1ccccc1 26568200 ADAJEBRZHXBOFS-UHFFFAOYSA-N 438.568 3.749 10 1 IHCF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccc(O)c(O)c1C(=O)c1c(O)ccc(O)c12 587532206 JRHBKIZYUBOYLM-SANMLTNESA-N 444.439 3.841 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 587767529 RLWJIZLFRJJKSA-QKVFXAPYSA-N 430.321 3.918 10 1 IHCF CC(=O)c1ccc2c(c1)[C@H](c1ccc(O)c(O)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962631347 KJDCVXGYXPLAQW-PXNSSMCTSA-N 427.453 3.636 10 1 IHCF CCN(CC)CCOc1cccc2c1C(=O)c1c(OCCN(CC)CC)cccc1C2=O 27524223 VSLYRNHVUOTNBV-UHFFFAOYSA-N 438.568 3.903 10 1 IHCF CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3NC)c3ccccc3nc12 29476466 HVOWYEOYYNNCBG-UHFFFAOYSA-N 449.536 3.904 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 587764712 HCJPHFJHHGPSLP-JLCFBVMHSA-N 449.364 3.667 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 587748695 XVJCPQRUKVVYPR-NZFNHWASSA-N 426.198 3.734 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 587753758 WPQDUTKJGBIGEW-WUYOKDQJSA-N 447.260 3.941 10 1 IHCF Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3ccccc3F)CC1)C(C)(C)C2 29569938 FBAYEBSHUKYYFZ-DEOSSOPVSA-N 425.548 3.710 10 1 IHCF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1c(ccc(O)c1O)C(=O)c1c(O)ccc(O)c12 587529819 FAHFDGYVPVVSAI-SANMLTNESA-N 444.439 3.841 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 587764880 HCJPHFJHHGPSLP-RCDICMHDSA-N 449.364 3.667 10 1 IHCF O=C1c2ccccc2C(=O)c2c1oc(-c1ccccc1)c2C(=O)NCCCn1ccnc1 1911583298 WTWFCXYPCMNBRU-UHFFFAOYSA-N 425.444 3.739 10 1 IHCF CS(=O)(=O)c1cc(N2CCOCC2)ccc1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962664433 GSJVGPNRYZYJHE-SANMLTNESA-N 448.588 3.829 10 1 IHCF CN(Cc1ccccc1)Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O 261114262 ILZHAKHRQTZBQO-UHFFFAOYSA-N 435.432 3.620 10 1 IHCF COc1ccc([C@@H]2CC(=O)c3c(cc(O)c(CNCCc4ccccc4)c3O)O2)cc1O 653786723 WOVARLXTFUDSMY-QFIPXVFZSA-N 435.476 3.851 10 1 IHCF COc1ccc(/N=N/C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 17261128 POOWYGANGFCAOK-YYNYXNMOSA-N 440.500 3.715 10 1 IHCF O=C(/C=C/c1ccc(O)c(O)c1)Oc1ccccc1OC(=O)/C=C/c1ccc(O)c(O)c1 1857645473 BJMOCGZHYYHPOP-MKICQXMISA-N 434.400 3.747 10 1 IHCF CC(=O)c1ccc2c(c1)[C@H](c1c(C)cc(O)cc1O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962624369 BZRFWWNZEKOKHJ-GHTZIAJQSA-N 441.480 3.945 10 1 IHCF COc1cc2cc3c(c(O)c2c2oc4c(c12)C(=O)c1c(O)cccc1C4=O)C(=O)O[C@H](C)C3 14885091 XDRBKHYDHHVGOZ-SECBINFHSA-N 444.395 3.883 10 1 IHCF biogenic COCCN(C)c1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 220081677 WKHRFVWQTYSNBL-UHFFFAOYSA-N 431.418 3.585 10 1 IHCF COc1ccc2ncc(F)c(CCN3CCC(NCc4ccc5c(c4)CCO5)CC3)c2n1 43053451 DVEBXGMTZMNJTC-UHFFFAOYSA-N 436.531 3.509 10 1 IHCF COC1=CC[C@@H]([C@@H]2Oc3cc(OC)cc(O)c3C(=O)C2=O)c2c1nc1cccc3c1c2CC3 587215741 MALBXZAZPLNGFU-WZQKQDCOSA-N 443.455 3.735 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 587772613 IGMIACYLPUFEKF-YEJXKQKISA-N 434.353 3.805 10 1 IHCF CN(C)CCNc1ccc2c3c(nn2Cc2ccccc2)-c2c(O)ccc(O)c2C(=O)c13 28758512 DZUBLELXHDIXDA-UHFFFAOYSA-N 428.492 3.681 10 1 IHCF CN(C)c1ccc(/C=C2/C[C@@](CO)(COC(=O)c3ccc(C(F)(F)F)cc3)OC2=O)cc1 40861801 CTNRCTCQUJORTJ-CJBPROBKSA-N 449.425 3.690 10 1 IHCF COC(=O)c1ccc2c(c1)C(=O)c1c-2n(CCCN=[N+]=[N-])c(=O)c2cc(OC)c(OC)cc12 28711273 JKTYFKHQOKTNRA-UHFFFAOYSA-N 448.435 3.717 10 1 IHCF O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCNS(=O)(=O)c1ccccc1 84706439 IMGGNQOWHNNQRW-UHFFFAOYSA-N 444.512 3.582 10 1 IHCF CCN(CC)CCNc1cc2nc3n(c(=O)c2cc1F)CC/C3=C\c1ccc(O)c(O)c1 1911570651 JKIZYCRMWDQPLQ-LFIBNONCSA-N 438.503 3.645 10 1 IHCF CN(C)CCNc1ccc(Cl)c2c1C(=O)c1c(NCCN(C)C)ccc(Cl)c1C2=O 29406093 VMYJDMNGCFGRKM-UHFFFAOYSA-N 449.382 3.716 10 1 IHCF COc1cc(Br)c(Br)c(CNc2ccc3[nH]c(=O)[nH]c3c2)c1O 299823206 SXXYVASCWIOPRU-UHFFFAOYSA-N 443.095 3.708 10 1 IHCF CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(/[N+]([O-])=N\O)cc2)cc1 58502041 YDFBNPLFEMWOII-ZNTNEXAZSA-N 426.376 3.945 10 1 IHCF COc1ccc(/N=N/C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 73386797 POOWYGANGFCAOK-ATIWSHOWSA-N 440.500 3.715 10 1 IHCF COc1cc(CC[C@@H]2C[C@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 100773671 PCHXAHPLKORHMW-FUHIMQAGSA-N 432.469 3.605 10 1 IHCF endogenous,in-man COc1ccc2nc3cc(Cl)ccc3c(NCCCN3CCN(CCCN)CC3)c2c1 29312148 BGRGIQMKRZGCPC-UHFFFAOYSA-N 442.007 3.818 10 1 IHCF COc1cc(/C=C\c2nc3c(I)cnc(Cl)c3[nH]2)cc(O)c1O 587786409 TZKNTGDBIFKKBS-IHWYPQMZSA-N 443.628 3.806 10 1 IHCF O=C(C=Cc1ccccc1)O[C@@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1 2356596179 GQGIIUWXMCBYIJ-QPPBQGQZSA-N 436.416 3.516 10 1 IHCF COc1cc(/C=C2\C(=O)O[C@@H](c3ccc(O)c(O)c3)[C@@H]2c2cc(O)cc(O)c2)ccc1O 210468565 IBZKQAXTWQRPIW-DDEJFCJRSA-N 436.416 3.689 10 1 IHCF CCCCNC(=O)[C@]1(CC)OC(=O)c2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC 40861495 CXQAAVBKXGTUOC-AREMUKBSSA-N 445.519 3.680 10 1 IHCF O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])SC2=S)cc1 1857770060 ROQSONVKCSYPSK-AUWJEWJLSA-N 431.407 3.607 10 1 IHCF NC(=O)c1ccc2[nH]cc(CCCCN3CCN(c4ccc5c(c4)CCCO5)CC3)c2c1 3986680 ZOTMPHLOFULIPB-UHFFFAOYSA-N 432.568 3.737 10 1 IHCF COC(=O)Cc1ccc(-n2c(C)cc([C@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c2C)cc1 963467630 GDCVRABFKGWYTC-SQJMNOBHSA-N 448.519 3.512 10 1 IHCF CC(C)CN(Cc1ccc(N2CC[C@@H](N(C)C)C2)cc1)S(=O)(=O)Cc1ccccc1 1772597747 JKJIISSKXIMRBK-XMMPIXPASA-N 429.630 3.815 10 1 IHCF Cc1nc(/N=N/c2cc(S(=O)(=O)O)ccc2Cl)c2c(c1O)CO[P@@](=O)(O)OC2 13861576 UYWSCLVIBVQUQC-ISLYRVAYSA-N 449.765 3.558 10 1 IHCF O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1CCC[C@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1 27558621 HALOOJXOGWGVKR-HCTQRNQGSA-N 440.448 3.633 10 1 IHCF Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)=C[C@]21NCCc2cccc(Cl)c21 963389463 AGSBNNRHENUVQJ-HSZRJFAPSA-N 439.851 3.691 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 587726224 WGDUFJSPFUXMPC-LRTDBIEQSA-N 436.344 3.935 10 1 IHCF CN(C)CCNC(=O)c1cccc2c(N)c3cccc(-c4ccc([N+](=O)[O-])cc4)c3nc12 27742572 SKQALBCTHBUEPF-UHFFFAOYSA-N 429.480 3.837 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 587753755 WPQDUTKJGBIGEW-QDRQEVHFSA-N 447.260 3.941 10 1 IHCF CN(C)c1ccc(CN2C[C@@H](O)C[C@H]2c2nc(Cc3ccc(F)cc3Cl)no2)cc1 2356850043 PZYQJXFBLNJUSZ-ICSRJNTNSA-N 430.911 3.827 10 1 IHCF O=C(O)CN1C(=O)/C(=C/c2nc3ccccc3n2Cc2ccc(F)c(F)c2)SC1=S 1857773396 MMQPMPOYNCKYSM-PXNMLYILSA-N 445.472 3.649 10 1 IHCF CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CNC(C)=O)c2)c(Cl)c1Cl 29337493 PMOIHAIQVRSYOV-UHFFFAOYSA-N 440.279 3.508 10 1 IHCF COC(=O)C[C@]1(c2ccc(OC)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587807611 KSTKQFVMYHPOKL-PRWKNARSSA-N 438.293 3.643 10 1 IHCF COc1cccc(CN(C)C(=O)c2cc3ccc(-c4cn[nH]c4)cc3n2CCN(C)C)c1 73195676 BBDLCZJBXCOGMD-UHFFFAOYSA-N 431.540 3.874 10 1 IHCF CN(Cc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169418 CXSWSONIBMCRAR-UHFFFAOYSA-N 426.473 3.897 10 1 IHCF CN1CCN(c2ccc(CNC(=O)c3ccc(-c4cnn(C)c4)c4ccoc34)cc2)CC1 61930746 APQBEOIYFVLRJI-UHFFFAOYSA-N 429.524 3.515 10 3 IHCF COc1cc(CC[C@@H](O)CC(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)ccc1O 85625923 UTIMIUKLBJPYAK-GOSISDBHSA-N 432.513 3.732 10 1 IHCF biogenic,in-vitro COc1cc2c3c(c1)O[C@H](c1c(C)n(C[C@@H](O)CN4CCCC4)c4ccccc14)[C@@H](C2)C3=O 587445311 USJPRUKGZKFJTQ-DHGLHQTCSA-N 446.547 3.904 10 1 IHCF CN(C)c1ccc(CNC(=O)c2csc(N3CCN(CCc4ccccc4)C3=O)n2)cc1 206023183 NWVZTIDNIOSVBJ-UHFFFAOYSA-N 449.580 3.624 10 3 IHCF C[C@H](O)[C@@H](C)OC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]2N(C)C1 40676427 QOTRYAMHCKKTQD-NZIBYCCCSA-N 432.564 3.962 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCOCC3)cc2O)N1 587772348 HIBLJPLXUDKOHY-ASSNKEHSSA-N 435.337 3.928 10 1 IHCF COc1cccc([C@H]2Nc3ccccc3CN2NS(=O)(=O)c2ccc(C)cc2)c1O 27329597 CTGQEIXKQDLWJH-QFIPXVFZSA-N 425.510 3.529 10 1 IHCF Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@@H]2SCc1ccccc1 38337967 XCHZDDFXJYXEFZ-BHDDXSALSA-N 428.462 3.684 10 1 IHCF biogenic COc1ccc2c(c1OC)[C@@]1(CCc3c1ccc(O)c3O)N(C(=O)c1ccccc1N)CC2 963138684 KBKQTMFZNWTROX-SANMLTNESA-N 446.503 3.586 10 1 IHCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C(N)=O)cccc12 29391614 IPFBLTKAVDEMNZ-UHFFFAOYSA-N 436.493 3.611 10 1 IHCF O=C(CNC(=O)c1ccc(Br)cc1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 101967356 ISNIYEBNFLLQQX-QURGRASLSA-N 446.217 3.585 10 1 IHCF CN1CCN(Cc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O)CC1 587594094 LAPMNVZIQRNXBR-BVAGGSTKSA-N 446.503 3.548 10 1 IHCF CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587756906 SGRUMAFYXMKZOG-LRTDBIEQSA-N 435.337 3.995 10 1 IHCF COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(C)ccc4O[C@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587455176 KEEBRYKHYDAPII-ODKGLIOUSA-N 444.439 3.918 10 1 IHCF CN1CCc2c(Br)cccc2[C@]1(C)[C@H]1C(=O)c2cccc([N+](=O)[O-])c2C1=O 963282904 ZXLVNXBMUWHOTD-FXAWDEMLSA-N 429.270 3.756 10 1 IHCF Nc1ccc(NC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2-c2ccc(O)c(O)c2)cc1 29038523 CCYIBLDQZPCIJL-UHFFFAOYSA-N 427.420 3.926 10 1 IHCF O=C(Nc1ccc(C(F)(F)F)cn1)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 1772581700 GKSLPWWVZMCJCK-UHFFFAOYSA-N 428.322 3.539 10 1 IHCF CC(=O)N1CCN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587764648 GOUSHWLPRPABOC-FPTDNZKUSA-N 446.364 3.880 10 1 IHCF COc1ccc(C=CC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1OC 1857618477 KFOHUCYWGJGHPM-UHFFFAOYSA-N 446.551 3.964 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 587768764 WBLZZYUFAIWDOR-XUSGNXJCSA-N 430.321 3.918 10 1 IHCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1csc2ccccc12 95598618 QJFVMXCHYLPAHC-GASCZTMLSA-N 431.583 3.897 10 1 IHCF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587268777 FINJGCFPWCISPI-UHFFFAOYSA-N 427.372 3.638 10 1 IHCF CN(Cc1ccccc1)c1ccc([C@@H](CC(N)=O)NC(=O)c2ccccc2)cc1[N+](=O)[O-] 15936224 LRAIDOXRGBBBRS-HXUWFJFHSA-N 432.480 3.578 10 3 IHCF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1CC(N)=O 587578119 QGRMEPHBQIYNAP-WIOPSUGQSA-N 428.444 3.844 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 587767087 QFFVLKCZXFGHNN-RCDICMHDSA-N 449.364 3.667 10 1 IHCF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1cc(O)c(O)c(O)c1 963855763 STDDIRPTVWLKHY-QRWLVFNGSA-N 429.469 3.838 10 1 IHCF O=C(C=Cc1ccccc1)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1 2356596187 GQGIIUWXMCBYIJ-ZJSXRUAMSA-N 436.416 3.516 10 1 IHCF CC(C)Oc1ccc(N2CCN(Cc3ccccc3)CC2)cc1NC(=O)c1cnccn1 169346743 AANOMZQEAPYXAF-UHFFFAOYSA-N 431.540 3.838 10 1 IHCF CCOC(=O)COc1ccc(C(=O)c2cc(Cl)c(O)c(CN)c2)c(Cl)c1Cl 29346585 XFQNWZQLDNAZPD-UHFFFAOYSA-N 432.687 3.984 10 1 IHCF COC1=CC=Cc2cc(OC)c(OC)c(O)c2[C@@]12NCCc1cnc3c(OC)cccc3c12 963055860 KHTMBBBECOKYGF-AREMUKBSSA-N 446.503 3.913 10 1 IHCF COc1cc2c(c(O)c1O)[C@]1(C=C(c3ccccc3)O2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962915931 WCPGUARKZVZPDG-SSOJOUAXSA-N 449.434 3.522 10 1 IHCF CCOC(=O)C(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc(S(C)(=O)=O)cc2)c1C 28862755 NIKHJZLUYLYLDM-UHFFFAOYSA-N 441.505 3.611 10 1 IHCF Nc1ccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)[C@@H]3CCC(F)(F)C3)CC2)cc1 13835852 GLAINAZGDXQPHT-NLFFAJNJSA-N 443.538 3.673 10 1 IHCF COc1cc(C[C@@]2(Cc3ccccc3)NCCc3cc(O)c(O)cc32)cc(OC)c1OC 169325118 WNXOSRCQRUVELE-AREMUKBSSA-N 435.520 3.950 10 1 IHCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(=O)[C@@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 587407122 AHUYFMVCQNEPRJ-RCZVLFRGSA-N 431.444 3.860 10 1 IHCF CC(=O)Oc1cccc2c1C(=O)c1c(c(O)c3cc([C@@H](C)OC(C)=O)ccc3c1O)C2=O 15205730 JGZXYNWNAGLDOL-SNVBAGLBSA-N 434.400 3.576 10 1 IHCF biogenic CCOC(=O)c1cnc2c(c1Cl)C(=O)c1c(-c3ccccc3[N+](=O)[O-])ccnc1C2=O 26970344 CGTTZMXCQXDFGF-UHFFFAOYSA-N 437.795 3.657 10 1 IHCF COc1ccccc1OCCNCCCCCCN[C@H]1CCc2c(ccc(O)c2O)C1 26672201 MYSRHFYWUJLKER-FQEVSTJZSA-N 428.573 3.782 10 1 IHCF O=[N+]([O-])c1cccc(C/N=N/c2nc(NCc3ccccc3)nc(N3CCOCC3)n2)c1 169689918 LKGVIQHREWTQEQ-SLEBQGDGSA-N 434.460 3.512 10 1 IHCF CC(C)c1nn(C)c2c1[C@](C)(c1ccc(N3CCC(C(=O)NCC4CC4)CC3)cc1)NCC2 962923922 ZFMUZXHJCSLFMQ-MHZLTWQESA-N 449.643 3.695 10 1 IHCF COC(=O)c1ccc([C@@H]2NC(c3ccc4c(c3)OCO4)=C[C@@H](c3ccccc3O)N2)cc1 102857132 XDDFDCNWARMUNW-GBXCKJPGSA-N 430.460 3.881 10 1 IHCF COC(=O)C1CN(c2ccc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)C1 587760201 JNFWFZRUKYUIOO-YUNKPMOVSA-N 433.321 3.821 10 1 IHCF COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587806782 JJLWQIGQFVJBNV-YBTHPKLGSA-N 438.293 3.945 10 1 IHCF O=C1[C@@H](Cc2ccc(Cl)c(Cl)c2)SC(=S)N1NS(=O)(=O)c1ccccc1 28569042 VZULONSGKZOMMS-CQSZACIVSA-N 447.390 3.658 10 1 IHCF COc1ccc(O)c([C@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587811658 XBYYHYXPHWCNMX-BIBXISHDSA-N 438.293 3.945 10 1 IHCF NCCc1c[nH]c2ccc(OCCCCCC(=O)N3CCN(c4ccc(N)cc4)CC3)cc12 13743218 GYUKNAFUNQENJU-UHFFFAOYSA-N 449.599 3.539 10 1 IHCF CCN(CC)CCCn1c2c(c3ccc([N+](=O)[O-])cc3c1=O)C(=O)c1cc3c(cc1-2)OCO3 653795853 XXXAKVZTFWGWJC-UHFFFAOYSA-N 449.463 3.582 10 1 IHCF CC[C@@]1(c2c(O)cc(O)cc2O)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186902 RSGQXUCIOKNDNS-SCLBCKFNSA-N 431.794 3.728 10 1 IHCF Oc1cc(O)c([C@]2(Cc3ccc(Br)cc3)NCCc3ccc(O)cc32)c(O)c1 963352995 OKCSUGNHMJCNSQ-JOCHJYFZSA-N 442.309 3.904 10 1 IHCF Cc1ccc(Cn2c(/C=C3\SC(=S)N(CC(=O)O)C3=O)nc3cc(F)ccc32)cc1 1857766256 GSYRLSXYZYESJJ-MFOYZWKCSA-N 441.509 3.818 10 1 IHCF CN1CCN(c2ccc(CNC(=O)[C@]3(C)Cc4c(-c5ccccc5)ccnc4O3)cc2)CC1 61907474 GZJRGZQGJNGISQ-MHZLTWQESA-N 442.563 3.510 10 3 IHCF O=C1C[C@@H]2CC[C@H](C1)N2c1cc(F)c(CNC(=O)Nc2cccc3[nH]ncc23)cc1F 14973566 CLRSHLSJDZBRGM-OKILXGFUSA-N 425.439 3.863 10 1 IHCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(CCN3CCN(c4ccccc4)CC3)nc21 95588700 ZRLREFXCXLPXJA-UHFFFAOYSA-N 436.515 3.703 10 1 IHCF C[n+]1c(C=C2C=CN(CC(=O)NCCN3CCCC3)c3ccccc32)sc2ccccc21 1857556435 VISXOOACXKRMNL-UHFFFAOYSA-O 445.612 3.812 10 1 IHCF COC(=O)C1CN(c2ccc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)C1 587763406 YJITYNSJJHXHIV-FKIZINRSSA-N 433.321 3.821 10 1 IHCF CCOC(=O)[C@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587754344 JMHCYLHINVFBLG-LRTDBIEQSA-N 435.337 3.995 10 1 IHCF CN1CCCN(c2cc(NCCN3CCCC3)c3c4c(onc24)-c2ccccc2C3=O)CC1 1772581750 KYAUONHMZLWADC-UHFFFAOYSA-N 445.567 3.689 10 1 IHCF CN(C)c1ccc(CNC(=O)c2cn(Cc3cccc(C(=N)N)c3)c3ccccc23)cc1 12355219 ZHXLQYUKQNYNRH-UHFFFAOYSA-N 425.536 3.970 10 1 IHCF COC(=O)C[C@@]1(c2ccc(OC)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587811882 XQZBJKKVSNCFBE-YBTHPKLGSA-N 438.293 3.643 10 1 IHCF COc1ccc(C=C2C(=O)N(Cc3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1O 299859049 HHRCOABDJJBRDM-UHFFFAOYSA-N 442.471 3.975 10 1 IHCF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(N)=O 587758351 WQCABTBCOYHEAE-WSVYEEACSA-N 430.321 3.960 10 1 IHCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 587726226 WGDUFJSPFUXMPC-YEJXKQKISA-N 436.344 3.935 10 1 IHCF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3ccc(F)cc3)CC1)C(C)(C)C2 26159993 BGJDVGMAZNTZSD-XMMPIXPASA-N 425.548 3.710 10 1 IHCF O=C1C=C(N2CCCCC2)[C@@H](c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1 96172358 ZGMJMJGEMCIZHE-AREMUKBSSA-N 443.551 3.857 10 1 IHCF [N-]=[N+]=NCCN1C(=O)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587575944 LJRKMXQBYZQSHR-XXBNENTESA-N 428.404 3.906 10 1 IHCF O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1CCC[C@@H](OC(=O)/C=C\c2ccc(O)c(O)c2)C1 40822443 HALOOJXOGWGVKR-YIDNSLBGSA-N 440.448 3.633 10 1 IHCF Nc1ccc(Oc2ccc3nc(CCNS(=O)(=O)c4ccc(Cl)nc4)[nH]c3c2)cc1 586942324 JVMVRJSOGNRZKK-UHFFFAOYSA-N 443.916 3.507 10 1 IHCF COc1cccc(N2CCN(C(=O)CN[C@H]3c4c(O)c(C)cc(C)c4CC3(C)C)CC2)c1 26158041 KGBPNJJFPWWGNE-VWLOTQADSA-N 437.584 3.579 10 1 IHCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1cccc(-c2ccoc2)c1 95598547 GUCWNJQLJVDBPH-CALCHBBNSA-N 441.553 3.943 10 1 IHCF CN1CCc2c(Br)cccc2[C@@]1(C)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 963269686 LOMUENPHRUOTPB-OAQYLSRUSA-N 446.345 3.945 10 1 IHCF COc1ccc([C@H]2CN(C)C3(C(=O)c4ccccc4C3=O)[C@]23Cc2ccccc2C3=O)cc1 299815215 GKMVPKCXWSAMOC-YIXXDRMTSA-N 437.495 3.968 10 1 IHCF O=C(Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)OCCc1cccs1 26501780 VPPKCNAVOCQCAN-UHFFFAOYSA-N 428.598 3.974 10 1 IHCF O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2ccc3cccnc3c2O)CC1 53230289 POIXTGWLWWVOEX-UHFFFAOYSA-N 433.533 3.600 10 1 IHCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(O[C@H]4CCOC4)cc3F)C2)cc1 1772587366 NHLXDKZWUVOZDX-USCONSEESA-N 428.504 3.848 10 1 IHCF COC(=O)c1c(O)ccc2c1c1c(n2-c2ccc(OC)cc2)C(=O)c2ccccc2C1=O 1663099 APNKOQNTYRJXTL-UHFFFAOYSA-N 427.412 3.907 10 1 IHCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2cnn(C)c2)cc1 72124933 JPYBEOVCRAEKOI-UHFFFAOYSA-N 428.492 3.969 10 1 IHCF C[C@@H](NC(=O)c1cc(-c2ccn(C)c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl 1857576750 LEXJXOMDFWQGBY-SNVBAGLBSA-N 435.286 3.966 10 1 IHCF O=C(c1c(Cl)cccc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 40791288 YSWGODBZKDSYKP-UHFFFAOYSA-N 436.946 3.772 10 1 IHCF COc1cc(CC[C@@H](O)CC(=O)CC2(c3cc(O)c(O)c(OC)c3)CCCC2)ccc1O 85625912 PZZUIVJWQUTGTJ-GOSISDBHSA-N 444.524 3.975 10 1 IHCF biogenic,in-vitro O=c1cc2c3cc(O)c(O)cc3oc3cc4c(c(o1)c32)C[C@H](O)[C@@H](c1ccc(O)c(O)c1)O4 14611232 UZKYBGJWZRFMHC-GAJHUEQPSA-N 448.383 3.552 10 1 IHCF biogenic CCc1ccc(C(=O)O[C@@H]2Cc3c(O)cc(O)cc3O[C@@H]2c2cc(O)c(O)c(O)c2)cc1 29407553 UYWREVHJIFAJNS-FYYLOGMGSA-N 438.432 3.679 10 1 IHCF CCN(CC)c1ccc(-c2nn(C(=O)c3ccc(O)c(O)c3)c(=O)c3ccccc23)c(O)c1 587665549 SBSJJWCBRAHUTG-UHFFFAOYSA-N 445.475 3.715 10 1 IHCF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(O)cc(O)c(O)c21 587487398 ZMWKEQMWJFUKMR-VWLOTQADSA-N 432.428 3.915 10 1 IHCF Oc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)=C[C@@]21NCCc2cccc(Cl)c21 963389466 AGSBNNRHENUVQJ-QHCPKHFHSA-N 439.851 3.691 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCOCC3)c(N)c2)N1 587772611 IGMIACYLPUFEKF-LRTDBIEQSA-N 434.353 3.805 10 1 IHCF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1CC(N)=O 587578118 QGRMEPHBQIYNAP-RDGATRHJSA-N 428.444 3.844 10 1 IHCF COc1cc2c(c(O)c1O)[C@@]1(C=C(c3ccccc3)O2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962915929 WCPGUARKZVZPDG-GKVSMKOHSA-N 449.434 3.522 10 1 IHCF NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 26935328 UTQGZAREXGEAIZ-UHFFFAOYSA-N 437.481 3.740 10 1 IHCF COc1ccc(O)c([C@@]2(CCC(=O)O)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587811664 XBYYHYXPHWCNMX-YBTHPKLGSA-N 438.293 3.945 10 1 IHCF Cn1c(O)c(/N=N/C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 101749393 HRWXGUUUFKUJDX-GHVJWSGMSA-N 426.498 3.983 10 1 IHCF CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 6074174 RIRMEWBXJSINDT-LGVFNWMJSA-N 438.549 3.737 10 3 IHCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc2ccccc2c1 34630625 UTBJTNQPHLLPHG-CALCHBBNSA-N 425.554 3.836 10 1 IHCF CC(=O)Nc1ccc(-c2ccnc3c2C[C@](C)(C(=O)NCc2ccc(N(C)C)cc2)O3)cc1 61904406 MYNFQOJVOVULJR-AREMUKBSSA-N 444.535 3.783 10 3 IHCF COC[C@@]1(c2c(O)cc(OC)cc2OC)c2cccc(F)c2CCN1[C@@H]1CCSC1 962703217 HZBWKYJXNGVOMI-CMJOXMDJSA-N 433.545 3.802 10 1 IHCF COc1cc(-c2ccc(-n3nnc4c3C(=O)c3ccccc3C4=O)cc2)cc(OC)c1OC 1911584758 LZNAEXNYSIHKJO-UHFFFAOYSA-N 441.443 3.736 10 1 IHCF [N-]=[N+]=NCCCNC(=O)[C@@H]1CC(=O)C[C@@]2(C1)NC1(CC1)Cc1ccc(Br)cc12 961613383 HOAKHAMMSBLHEB-JLTOFOAXSA-N 446.349 3.509 10 1 IHCF O=C1NC(=O)C(=Cc2c(-c3ccccc3)n(CC(=O)c3ccccc3)c3ccccc23)C(=O)N1 103220146 OUBYWOKAEMSWDU-UHFFFAOYSA-N 449.466 3.941 10 1 IHCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1NC=O 73274726 JKCPPRQNCFVBSW-UHFFFAOYSA-N 425.872 3.791 10 1 IHCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(S(C)(=O)=O)ccc23)cc1 26002422 MKUXCQOPQGKGTI-UHFFFAOYSA-N 441.534 3.907 10 1 IHCF CCOc1ccc(/N=N/[C@H]2C(=O)N(C(=O)CC(=O)Nc3ccc(Cl)cc3)N=C2C)cc1 102920389 XKHPAGMURWOWGW-NZXNHFJFSA-N 441.875 3.965 10 1 IHCF [N-]=[N+]=NCCCNC(=O)[C@H]1CC(=O)C[C@]2(C1)NC1(CC1)Cc1ccc(Br)cc12 961613399 HOAKHAMMSBLHEB-XOBRGWDASA-N 446.349 3.509 10 1 IHCF O=C(/C=C\c1ccc(O)c(O)c1)OC1CCC(OC(=O)/C=C\c2ccc(O)c(O)c2)CC1 27556578 VOAUUKZREABUKK-LPPGRIHKSA-N 440.448 3.633 10 1 IHCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccoc2)cc1 38240054 LMPUAAZKJNXUSY-CALCHBBNSA-N 441.553 3.943 10 1 IHCF Cc1nc(-c2ccc(F)cc2F)c(-c2ccc3nc(N)n(S(=O)(=O)C(C)C)c3c2)[nH]1 29130654 PEMKWXLFTIDUIW-UHFFFAOYSA-N 431.468 3.849 10 1 IHCF CCN1CCN(c2ccc([C@H]3CC(c4ccc(OC)c(OC)c4)=NN3C(C)=O)cc2)CC1 1857621262 XMSNTYCPGOOWCF-HSZRJFAPSA-N 436.556 3.543 10 1 IHCF Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3ccc(F)cc3)CC1)C(C)(C)C2 26159986 BGJDVGMAZNTZSD-DEOSSOPVSA-N 425.548 3.710 10 1 IHCF COc1ccc(O)c([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2N)c1 963133315 AVGHWIDXIPMBKP-DEOSSOPVSA-N 434.492 3.788 10 1 IHCF CS(=O)(=O)c1cc(N2CCOCC2)ccc1[C@H]1NCCc2cccc(-c3ccccc3)c21 962664429 GSJVGPNRYZYJHE-AREMUKBSSA-N 448.588 3.829 10 1 IHCF CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(O)cc2)cc1[N+](=O)[O-] 58592552 SSRTYCVXBCODPQ-UHFFFAOYSA-N 438.462 3.636 10 1 IHCF O=C1C=C(N2CCCCC2)[C@H](c2ccc(N3CCOCC3)cc2)N1c1ccc2nc[nH]c2c1 96172359 ZGMJMJGEMCIZHE-SANMLTNESA-N 443.551 3.857 10 1 IHCF O=C(O)CN1C(=O)/C(=C/c2nc3ccccc3n2Cc2ccc(F)cc2)SC1=S 1857654453 LKMODUPWHQEMFV-SXGWCWSVSA-N 427.482 3.510 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 587745058 JCAHNTODFPDVIQ-MLXNANBUSA-N 426.198 3.734 10 1 IHCF CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 13151421 RIRMEWBXJSINDT-AWRGLXIESA-N 438.549 3.737 10 1 IHCF O=C(O)[C@H](Cc1ccccc1)C[C@@H](Cc1ccccc1)C(=O)NCc1ccc(O)c(O)c1 26504733 GHIHAGHQXIQPOK-FGZHOGPDSA-N 433.504 3.907 10 1 IHCF c1cn(CCOc2ccc3c(c2)CN2CN3Cc3cc(OCCn4ccnc4)ccc32)cn1 299832797 VZXWOFZKEHKXSN-UHFFFAOYSA-N 442.523 3.535 10 1 IHCF Cn1c(O)c(N=NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21 253947042 HRWXGUUUFKUJDX-UHFFFAOYSA-N 426.498 3.983 10 1 IHCF CN1C(=O)C[C@@H]2CN[C@@]3(C=C(c4ccc(O)cc4)Oc4cc(O)cc(O)c43)c3cccc1c32 963022320 INGWRFRSIQMQPO-WZQKQDCOSA-N 442.471 3.534 10 1 IHCF CN1CCc2c(Br)cccc2[C@]1(C)[C@@H]1C(=O)c2cccc([N+](=O)[O-])c2C1=O 963282907 ZXLVNXBMUWHOTD-YLJYHZDGSA-N 429.270 3.756 10 1 IHCF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(I)cc34)[C@@H]21 95552252 XDYOPSPVHBQTNY-GOSISDBHSA-N 429.261 3.919 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(=O)Nc1cc(N3CCCC3)ccc12 587767528 RLWJIZLFRJJKSA-LAJNKCICSA-N 430.321 3.918 10 1 IHCF CN(C)c1ccc(CNC(=O)[C@]2(C)Cc3c(-c4ccc5c(c4)OCO5)ccnc3O2)cc1 61928167 NYGDBNRGCITMCH-VWLOTQADSA-N 431.492 3.553 10 3 IHCF O=C1CCCN1Cc1c(Br)c(O)c(O)c(Br)c1Br 28707379 VZZUKOXTBHFIKN-UHFFFAOYSA-N 443.917 3.508 10 1 IHCF biogenic O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c21 587263540 BVYLORFHNVSCHA-UHFFFAOYSA-N 428.360 3.746 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 587726122 USOQQOZSQYIWMB-ASSNKEHSSA-N 436.344 3.935 10 1 IHCF COc1ccccc1N1CCN(CC(=O)N[C@H]2c3c(O)c(C)cc(C)c3CC2(C)C)CC1 26166370 GVJKQLOPVQHCDH-VWLOTQADSA-N 437.584 3.579 10 1 IHCF COc1cc2c(cc1OC)[C@](C)(c1ccc(N3CCC(C(N)=O)CC3)cc1)N(C)[C@H](C)C2 962634002 PSGHGPFQACCCOF-QUGAMOGWSA-N 437.584 3.545 10 1 IHCF O=S(=O)(Nc1cn(-c2ccccc2)cn1)c1cc(Br)cc(Cl)c1O 1911570825 XMFFLMGSEPXKEH-UHFFFAOYSA-N 428.695 3.795 10 1 IHCF O=c1c2cn[nH]c2c2ccc(-c3ccccc3N3CCOCC3)cc2n1CC(F)(F)F 205095005 SVNRQXWKYPEBBS-UHFFFAOYSA-N 428.414 3.944 10 1 IHCF CN(C(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 13650001 SUSPKTRYLPUTGB-OQLLNIDSSA-N 444.553 3.775 10 1 IHCF O=C1c2cc3c(cc2-c2c1c1ccc(Cl)cc1c(=O)n2CCCn1ccnc1)OCO3 653691272 VYUYFJRNLYJOIS-UHFFFAOYSA-N 433.851 3.882 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(N3CCCCC3)cc2)(C(O)O)N1 587764878 HCJPHFJHHGPSLP-PEBXRYMYSA-N 449.364 3.667 10 1 IHCF O=C(Oc1cc(OC(=O)c2cc(O)cc(O)c2)c2ccccc2c1)c1cc(O)c(O)c(O)c1 299866225 VKTHDZYHYKRMKP-UHFFFAOYSA-N 448.383 3.806 10 1 IHCF COc1cc2c3c(c1)O[C@](c1cc(O)c(O)c([N+](=O)[O-])c1)(c1ccccc1F)[C@@H](C2)C3=O 587425442 CONSNKXBRNCPLN-NPMXOYFQSA-N 437.379 3.845 10 1 IHCF CCOC(=O)C(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)c(F)c2)c1C 28862722 LUOVYPAQZOWVEM-UHFFFAOYSA-N 447.459 3.880 10 1 IHCF CC1(C)[C@H]2CC[C@]3(C)[C@H](CC[C@@H](O)[C@]34Cc3c(O)c(O)cc(C=O)c3O4)[C@]2(C)CC[C@H]1O 2356731619 UAJIAJOUVSPPNY-DYPRSTQGSA-N 444.568 3.958 10 1 IHCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(C[C@H](O)CN4CCCC4)c4ccccc14)[C@@H](C2)C3=O 587445313 USJPRUKGZKFJTQ-OGHKIJNOSA-N 446.547 3.904 10 1 IHCF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@H](O)[C@@]12Cc1c(O)c(O)cc(C=O)c1O2 40891671 UAJIAJOUVSPPNY-RDIJYYOSSA-N 444.568 3.958 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 587769229 YIUQLOGVOHHRMV-PEBXRYMYSA-N 448.380 3.665 10 1 IHCF CCOC(=O)[C@@H]1Cc2cc(C(=O)c3cc(Cl)c(O)c(CN)c3)c(Cl)c(Cl)c2O1 27653821 YTDNMLXUGJUENF-ZDUSSCGKSA-N 444.698 3.909 10 1 IHCF O=C(NCc1ccc(N2CCCN(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])o1 40564655 WXKAAMRSRPBFPU-UHFFFAOYSA-N 434.496 3.830 10 1 IHCF CCOc1ccc(/N=N/[C@@H]2C(=O)N(C(=O)CC(=O)Nc3ccc(Cl)cc3)N=C2C)cc1 102920391 XKHPAGMURWOWGW-VQERKYHCSA-N 441.875 3.965 10 1 IHCF Cc1ccc(Cn2c(/C=C3\SC(=S)N(CC(=O)O)C3=O)nc3ccc(F)cc32)cc1 1857771541 WBFZOOFXLUIDEP-MFOYZWKCSA-N 441.509 3.818 10 1 IHCF COc1cc(C=C2C(=O)O[C@@H](c3ccc(O)c(O)c3)[C@@H]2c2cc(O)cc(O)c2)ccc1O 2356517381 IBZKQAXTWQRPIW-PKTZIBPZSA-N 436.416 3.689 10 1 IHCF COc1cc(Nc2c3ccccc3nc3c(C(N)=O)cccc23)ccc1NS(C)(=O)=O 26935779 VOPGXMXBUYZKQM-UHFFFAOYSA-N 436.493 3.611 10 1 IHCF CN(C)CCN1C(=O)c2cccc3c2c(cc2[nH]c(-c4ccc(N(C)C)cc4)nc23)C1=O 28825851 LKGUGHCFUNDROY-UHFFFAOYSA-N 427.508 3.607 10 1 IHCF COCCn1ccc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)cc1=O 209429219 LSMNZKMSHCQECT-RTWAWAEBSA-N 442.519 3.991 10 1 IHCF Cn1nncc1C(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 113626002 KOCOTXSMDJPTDH-UHFFFAOYSA-N 432.933 3.798 10 1 IHCF COc1cc2c3c(c1)O[C@@]1(C(=O)[C@H](c4ccc(O)c(O)c4)Oc4ccc(C)cc41)[C@@H](C2)C3=O 587452003 CLJFRALPAFNJKD-CNBSGPCYSA-N 444.439 3.761 10 1 IHCF O=Cc1cc(F)ccc1OCc1cn(Cc2ccc3c(c2)C(=O)c2ccccc2C3=O)nn1 1772650756 LKRXYXHHDVVQJV-UHFFFAOYSA-N 441.418 3.632 10 1 IHCF COc1cc2c3c(c1)O[C@@]1(C(=O)c4ccccc4O[C@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587456377 UOIDWMNILHRASS-VOFHVUKISA-N 430.412 3.609 10 1 IHCF CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587754350 JMHCYLHINVFBLG-ZSEKCTLFSA-N 435.337 3.995 10 1 IHCF CC(=O)Nc1ccc2c(c1)c(Nc1ccc(NS(C)(=O)=O)cc1)c1ccccc1[n+]2C 26848056 QLQWDDFUBSEAQD-UHFFFAOYSA-O 435.529 3.891 10 1 IHCF O=C(CCCc1ccc([N+](=O)[O-])cn1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 58591008 JBNJOCVZGFEDOT-UHFFFAOYSA-N 426.256 3.615 10 1 IHCF CCN(CC)CCCCCCOC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 209358158 IRWJGRLWAUVZLW-UHFFFAOYSA-N 439.508 3.932 10 1 IHCF O=C(CNC(=O)c1ccc(Br)cc1)/N=N\c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 15880049 ISNIYEBNFLLQQX-DQRAZIAOSA-N 446.217 3.585 10 1 IHCF CC(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc4cccnc4c3O)CC2)cc1 53293691 VCVXLQKBVZFQCM-UHFFFAOYSA-N 425.554 3.570 10 1 IHCF COc1cc(CC[C@@H]2C[C@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OC)c3)O2)ccc1O 13340626 PCHXAHPLKORHMW-UWVAXJGDSA-N 432.469 3.605 10 1 IHCF endogenous,in-man Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)O)cc3[nH]1)[C@H]1CC=C[C@@H]21 587277439 VYTLODSZXLDJAJ-TYILLQQXSA-N 426.454 3.853 10 1 IHCF Cc1cc(C)cc(C(=O)N[C@H](CC(N)=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c1 15936207 UZBZTTPBOPTMDG-HXUWFJFHSA-N 438.528 3.939 10 3 IHCF O=C(NC1CCC2(CC1)OCC1(CO2)C2CC3CC(C2)CC1C3)c1ccc(O)c(O)c1 473120812 PKNDUWLAJRWFRG-UHFFFAOYSA-N 427.541 3.956 10 1 IHCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1 29125199 IWAMSIQHBWBJRV-CALCHBBNSA-N 441.553 3.943 10 1 IHCF CO[C@@]1(C)Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2/C1=C/c1ccc(O)c(O)c1 35879578 RNGFLTFOEGMRRY-MPCKGRJBSA-N 436.416 3.928 10 1 IHCF Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(CC(=O)O)C3=O)cc2c1 169350395 BUJOUYYMGVEXKI-BOPFTXTBSA-N 427.551 3.819 10 1 IHCF CC(C)CN([C@@H](C)c1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)Cc1ccccc1 224300182 CUKIISGUHRBFSM-NRFANRHFSA-N 429.630 3.987 10 1 IHCF Fc1cc(/C=C/c2ccc(N3CCN(C4=NCCO4)CC3)cc2)cc(Cn2ccnc2)c1 1857752735 HAIGETJJRNZPQY-OWOJBTEDSA-N 431.515 3.749 10 1 IHCF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2c(O)c(O)cc(O)c21 587479490 IFZCZJHLIQRGGG-VWLOTQADSA-N 432.428 3.915 10 1 IHCF COc1cc(CC[C@H](O)CC(=O)CCc2cc(O)c(O)c(OCC(C)C)c2)ccc1O 2356369909 UTIMIUKLBJPYAK-SFHVURJKSA-N 432.513 3.732 10 1 IHCF COc1cc(O)c(C2=C(C)C=C(O)[C@@H]3C(=O)c4c(O)cccc4C(=O)[C@@H]23)c(O)c1C(C)=O 1857607200 JVZATRWGHPFQRA-SFTDATJTSA-N 436.416 3.555 10 1 IHCF CC(=O)N1CCN(c2ccc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587764653 GOUSHWLPRPABOC-RCDICMHDSA-N 446.364 3.880 10 1 IHCF COc1cc2c(cc1OC)[C@](C)(c1ccc(N3CCC(C(N)=O)CC3)cc1)N(C)[C@@H](C)C2 962634000 PSGHGPFQACCCOF-QLXKLKPCSA-N 437.584 3.545 10 1 IHCF O=C1c2ccccc2C(=O)c2c1cc(N1CCN(Cc3ccccc3)CC1)c1nsnc21 219774413 YHBMNSNZQMSPIC-UHFFFAOYSA-N 440.528 3.789 10 1 IHCF CCCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=S)NC2=O)cc1 1857647758 XFYZZRTVCLXMCM-UHFFFAOYSA-N 446.532 3.633 10 1 IHCF C[C@H](NC(=O)c1cc(-c2ccn(C)c(=O)c2)cnc1N)c1c(Cl)ccc(F)c1Cl 1857576749 LEXJXOMDFWQGBY-JTQLQIEISA-N 435.286 3.966 10 1 IHCF O=C1/C(=C/c2ccc3ccccc3c2)SC(=S)N1NS(=O)(=O)c1ccccc1 13680719 SPLQRLRCFPYCMJ-AQTBWJFISA-N 426.544 3.935 10 1 IHCF COCCOc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1[N+](=O)[O-] 587264108 AQWPGDFPNVOYNU-UHFFFAOYSA-N 443.415 3.939 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 587748692 XVJCPQRUKVVYPR-MLXNANBUSA-N 426.198 3.734 10 1 IHCF COc1cc(OC)c(-c2c(C)cc(O)c3c2C(=O)c2cccc(O)c2C3=O)c(O)c1C(C)=O 38347584 HGCQHQWCCLUFQZ-UHFFFAOYSA-N 448.427 3.774 10 1 IHCF biogenic,in-vitro CN(C)CCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccc(OCCCN(C)C)cc1-2 71329646 PFDVROUDHLVNPX-UHFFFAOYSA-N 447.579 3.885 10 1 IHCF CCN1C(=O)N(Cc2ccccc2)C2(CCN(Cc3cc(Cl)ccc3O)CC2)C1=O 473110118 VAZRSCYGXQMCIL-UHFFFAOYSA-N 427.932 3.865 10 1 IHCF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](O)c3cc(Br)cs3)cc(O)c21 1857564884 OJZSNCLHSOIOFN-MRXNPFEDSA-N 431.263 3.779 10 1 IHCF COC(=O)c1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)C(OC)=C2Cl)cc1C(C)=O 45211426 YOFXNESMUDSZDI-GOSISDBHSA-N 440.835 3.662 10 1 IHCF CC1=NN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H](c2cc(Br)ccc2O)C1 653741251 WKHPHZPZMNDQGC-HNNXBMFYSA-N 440.275 3.575 10 1 IHCF Cc1cc(O)c2c(c1)C(=O)c1cc3c(c(O)c1C2=O)CN(c1ccc2ocnc2c1)CO3 1772600210 RCQPASFNIKBWAS-UHFFFAOYSA-N 428.400 3.679 10 1 IHCF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(N)=O 587759269 ZUOKQLGNZZPCIO-WSVYEEACSA-N 430.321 3.960 10 1 IHCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 587745061 JCAHNTODFPDVIQ-ZIDLFYJRSA-N 426.198 3.734 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 587748691 XVJCPQRUKVVYPR-KWKYVRJSSA-N 426.198 3.734 10 1 IHCF COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4O[C@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587456366 UOIDWMNILHRASS-BBBIZMJLSA-N 430.412 3.609 10 1 IHCF CO[C@]1(C)Oc2cc(/C=C\c3ccc(O)c(O)c3)oc(=O)c2/C1=C\c1ccc(O)c(O)c1 213166451 RNGFLTFOEGMRRY-VUSNGTIASA-N 436.416 3.928 10 1 IHCF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(N)=O 587758347 WQCABTBCOYHEAE-WIUDPPPLSA-N 430.321 3.960 10 1 IHCF CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc(C)[n+]([O-])c2)cc1 113624684 SFQJLENSSRDSSZ-UHFFFAOYSA-N 444.896 3.516 10 1 IHCF O=C(C=Cc1ccccc1)O[C@H]1Cc2c(O)cc(O)cc2O[C@H]1c1cc(O)c(O)c(O)c1 2356596182 GQGIIUWXMCBYIJ-URXFXBBRSA-N 436.416 3.516 10 1 IHCF COc1cc2c3c(c1)O[C@]1(C(=O)c4cc(C)ccc4O[C@@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587455178 KEEBRYKHYDAPII-ZCXSQJBPSA-N 444.439 3.918 10 1 IHCF O=C1c2ccccc2C(=O)c2cc(-n3cnc4n[nH]c(Nc5ccccc5)c4c3=O)ccc21 49054947 HOURBHIIGPTIAQ-UHFFFAOYSA-N 433.427 3.628 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 587770722 DPZNZIVJJHFNSN-PEBXRYMYSA-N 449.364 3.924 10 1 IHCF COc1ccc([C@@]2(CCC(=O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587806778 JJLWQIGQFVJBNV-BIBXISHDSA-N 438.293 3.945 10 1 IHCF CO[C@]1(C)Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2/C1=C\c1ccc(O)c(O)c1 213166511 RNGFLTFOEGMRRY-LRTOFGLUSA-N 436.416 3.928 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)N1 587745046 JCAHNTODFPDVIQ-KWKYVRJSSA-N 426.198 3.734 10 1 IHCF CC[C@H](C)[C@H](C(=O)O)N1Cc2c(cc(O)c(CC=C(C)CCC=C(C)C(=O)O)c2O)C1=O 2356722024 WJNCJJUXKGZWSO-VBKZILBWSA-N 445.512 3.853 10 1 IHCF CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 169294438 RIRMEWBXJSINDT-ZFGGDYGUSA-N 438.549 3.737 10 3 IHCF C[C@H](OC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]2N(C)C1)[C@@H](C)O 29486613 QOTRYAMHCKKTQD-OMJWHPFPSA-N 432.564 3.962 10 1 IHCF O=C1Nc2nc3ccccc3n2Cc2cc(ccc2O)-c2ccc(=O)n(n2)Cc2cccc1c2 299827328 GFCOIRMJYSQJJE-UHFFFAOYSA-N 449.470 3.628 10 1 IHCF C[C@H](NC(=O)Cn1cncn1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149974290 UKDMKIKFPVLCIT-SFHVURJKSA-N 431.540 3.548 10 1 IHCF Cc1cc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)ccc1Cl 1772606846 VIGDYRBYZHSJLY-UHFFFAOYSA-N 442.880 3.996 10 1 IHCF CN1c2ccc(I)cc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21 95553445 IMKSMJVHOPHQAX-GOSISDBHSA-N 429.261 3.919 10 1 IHCF CC[C@@]1(c2c(O)cc(O)cc2O)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186897 RSGQXUCIOKNDNS-FZKQIMNGSA-N 431.794 3.728 10 1 IHCF CNC(=O)c1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3NC)c3ccccc3nc2c1 29468759 PIXNCCYYMWCTQC-UHFFFAOYSA-N 449.536 3.904 10 1 IHCF COc1cccc(CN(C)C(=O)c2cn(CCN(C)C)c3cc(-c4cn[nH]c4)ccc23)c1 73196572 OCYSOXLZJBAKGG-UHFFFAOYSA-N 431.540 3.874 10 1 IHCF O=C(O)CN1C(=O)/C(=C/c2nc3ccccc3n2Cc2ccccc2F)SC1=S 1857772505 KWCHJXWINMNKMR-SXGWCWSVSA-N 427.482 3.510 10 1 IHCF CN(C)CCOc1ccc(-n2c3c(c4ccc(O)cc4c2=O)C(=O)c2cc(O)ccc2-3)cc1 141861067 YGQUPAVDJCLCSA-UHFFFAOYSA-N 442.471 3.554 10 1 IHCF [N-]=[N+]=NCCCNC(=O)[C@H]1CC(=O)C[C@]2(C1)c1ccsc1CCN2Cc1cccnc1 963011585 NXADVMKFUBWLTR-HTAPYJJXSA-N 438.557 3.583 10 1 IHCF CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OC)c(Br)c1 1857757926 KBWNCMXPECNNPL-PTNGSMBKSA-N 429.270 3.807 10 1 IHCF CO[C@]1(C)Oc2cc(/C=C/c3ccc(O)c(O)c3)oc(=O)c2/C1=C/c1ccc(O)c(O)c1 35879577 RNGFLTFOEGMRRY-CBZRWYCUSA-N 436.416 3.928 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCOCC3)cc2O)N1 587771354 FYFHVJXBIWNEIL-ASSNKEHSSA-N 435.337 3.928 10 1 IHCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c21 587091277 CYJSBYBISXMSBV-UHFFFAOYSA-N 441.325 3.672 10 1 IHCF COC(=O)Cc1ccc(-n2c(C)cc([C@@H]3N[C@H](C(=O)O)Cc4ccc(O)c(C)c43)c2C)cc1 963467616 GDCVRABFKGWYTC-OFVILXPXSA-N 448.519 3.512 10 1 IHCF Cc1c(CCOCCCO)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cccc(F)c1 95587431 HUZGFAKPICJERB-UHFFFAOYSA-N 431.529 3.937 10 1 IHCF COc1ccc(/N=N/C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 73386793 POOWYGANGFCAOK-BKKCSJBJSA-N 440.500 3.715 10 1 IHCF O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CCC[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)C1 27557701 HALOOJXOGWGVKR-JMRJQHPDSA-N 440.448 3.633 10 1 IHCF O=S(=O)(N[C@H]1CCCCN(Cc2ccccc2O)C1)c1ccc(C(F)(F)F)cc1 45227822 UBYIIRKHZXGZLP-KRWDZBQOSA-N 428.476 3.744 10 1 IHCF O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1CCCC[C@@H]1OC(=O)/C=C\c1ccc(O)c(O)c1 27558377 ABRIKWKVYABQBU-XMKJOKLESA-N 440.448 3.633 10 1 IHCF Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)[C@H]2SCc1ccccc1 38337968 XCHZDDFXJYXEFZ-BDTNDASRSA-N 428.462 3.684 10 1 IHCF biogenic COc1ccc(-c2c[nH]c3c2C(=O)c2c(ccn2S(=O)(=O)c2ccc(C)cc2)C3=O)cc1 45302986 QIOCZYMRRCEBDB-UHFFFAOYSA-N 446.484 3.813 10 1 IHCF Cc1nc(C)c(C(=O)Oc2ccc(-c3cc(=O)c4c(O)c(O)c(O)cc4o3)cc2)nc1C 1857558904 CJJNNHQPTBWPRQ-UHFFFAOYSA-N 434.404 3.511 10 1 IHCF COC(=O)c1ccc2c(c1)C(=O)c1c-2n(CCCN=[N+]=[N-])c(=O)c2cc([N+](=O)[O-])ccc12 28711236 KSOXIPMQOVYYLL-UHFFFAOYSA-N 433.380 3.608 10 1 IHCF CCC(C)(C)n1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(C2CCCCC2)CC1 20140023 LDSCTISAKYOJLD-HSZRJFAPSA-N 439.652 3.924 10 3 IHCF CCOC(=O)[C@H]1Cc2cc(C(=O)c3cc(Cl)c(O)c(CN)c3)c(Cl)c(Cl)c2O1 27653825 YTDNMLXUGJUENF-CYBMUJFWSA-N 444.698 3.909 10 1 IHCF C[C@]1(c2ccc(O)c(CN3CCOCC3)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587594156 LPAPVFUNSYGHEP-ZEQKJWHPSA-N 447.487 3.807 10 1 IHCF Cc1ccc(-c2nnc(SCc3cc(=O)c(O)co3)n2NCc2ccccc2O)cc1 1772625314 IHPZXVWMPDMYQO-UHFFFAOYSA-N 436.493 3.654 10 1 IHCF CCN(CC)CCCCCOC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O 209389862 VPOAHILBQWBPSS-UHFFFAOYSA-N 425.481 3.542 10 1 IHCF CC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(S(=O)(=O)N3CCOCC3)cc1)N2 13151420 RIRMEWBXJSINDT-YZUZCNPQSA-N 438.549 3.737 10 1 IHCF COc1ccc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2C(N)=S)c(OC)c1OC 1772601040 DFGZHLRDQSPBIW-QGZVFWFLSA-N 437.521 3.966 10 1 IHCF Cc1ccc(NS(=O)(=O)c2cc3c(CN=[N+]=[N-])cc(=O)oc3cc2C)c([N+](=O)[O-])c1 49050494 QPRMDJLDHWPNPO-UHFFFAOYSA-N 429.414 3.929 10 1 IHCF O=c1cc(OCCCCCCO[N+](=O)[O-])cc2oc(-c3ccc(O)c(O)c3)cc(O)c1-2 169730183 UKPYLWZGWXJZBO-UHFFFAOYSA-N 431.397 3.676 10 1 IHCF CC(C)CN(Cc1ccc(N2C[C@H]3COC[C@@H]3C2)cc1)S(=O)(=O)Cc1ccccc1 1772604612 LLATZGVROYIRCM-GOTSBHOMSA-N 428.598 3.757 10 1 IHCF O=C1c2ccccc2C(=O)c2c1nc(-c1cccc3ccccc13)n2CCN1CCOCC1 1857752563 IPBOEOJDVIGMTO-UHFFFAOYSA-N 437.499 3.811 10 1 IHCF CN(CCO)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 27206359 CIFCKHPVBBJPCG-UHFFFAOYSA-N 436.537 3.932 10 1 IHCF CCOC(=O)[C@@]1(c2ccc(N(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587754325 JMHCYLHINVFBLG-ASSNKEHSSA-N 435.337 3.995 10 1 IHCF CN1CCN(Cc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc2O)CC1 587594099 LAPMNVZIQRNXBR-ZEQKJWHPSA-N 446.503 3.548 10 1 IHCF [N-]=[N+]=NCCCNC(=O)[C@H]1CC(=O)C[C@@]2(C1)c1ccsc1CCN2Cc1cccnc1 963011601 NXADVMKFUBWLTR-JTSKRJEESA-N 438.557 3.583 10 1 IHCF Cc1cc(C)c2c(c1O)[C@@H](NC(=O)CN1CCN(c3cccc(F)c3)CC1)C(C)(C)C2 26147851 LEGQTCQVWVDYFY-XMMPIXPASA-N 425.548 3.710 10 1 IHCF COc1ccc2nc3cc(Cl)ccc3c(NCCCCNc3nc(N)nc(N)n3)c2c1 103225168 YRQBNFDRSZQBNL-UHFFFAOYSA-N 438.923 3.704 10 1 IHCF O=C(O)CN1C(=O)/C(=C/c2nc3ccc(F)cc3n2Cc2ccccc2F)SC1=S 1857649214 MVXASWPEOAKUBQ-PXNMLYILSA-N 445.472 3.649 10 1 IHCF CN1CCN(c2cc(NCCN3CCCCC3)c3c4c(onc24)-c2ccccc2C3=O)CC1 1772616247 HQXMLEOWBROEKL-UHFFFAOYSA-N 445.567 3.689 10 1 IHCF COc1ccc(N2CCN(Cc3coc(-c4cc(OC)c(OC)c(OC)c4)n3)CC2)cc1 72183422 VARDNRORHGULPC-UHFFFAOYSA-N 439.512 3.698 10 1 IHCF Nc1ccc(CCOCCCCCCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1 40698625 DFJDVMFFBFSDKG-UHFFFAOYSA-N 429.586 3.829 10 1 IHCF COc1ccc2c(c1OC)-c1c(c3ccc([N+](=O)[O-])cc3c(=O)n1CCCN=[N+]=[N-])C2=O 35079985 LIKRUARCALWBDA-UHFFFAOYSA-N 435.396 3.839 10 1 IHCF CC(=O)N1CCN(c2ccc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587768435 VELZQPOREBRGDJ-PEBXRYMYSA-N 446.364 3.880 10 1 IHCF COc1ccc(C(=O)N2NC(=O)/C(=C\c3cccc(OCc4cccc(C)c4)c3)C2=O)cc1 40940419 ILUGTAZEWRAJIX-HZHRSRAPSA-N 442.471 3.680 10 1 IHCF CCC(CC)C(=O)Nc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1OCC(=O)O 96928427 RNRBDZLIEZJZLN-UXBLZVDNSA-N 442.468 3.588 10 1 IHCF COC(=O)C[C@]1(c2ccc(OC)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587811876 XQZBJKKVSNCFBE-BIBXISHDSA-N 438.293 3.643 10 1 IHCF Cc1ccc(C(=O)Nc2c(NC(=O)CN(C)C)ccc3c2C(=O)c2ccccc2C3=O)cc1 73199485 RRAORDVCLZAVDK-UHFFFAOYSA-N 441.487 3.523 10 1 IHCF COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)c2ccncc2)cc1 113626188 GFCASFOMTBNPEX-UHFFFAOYSA-N 447.310 3.885 10 1 IHCF O=C1NC[C@@H](c2ccc(N3CCN(c4ccccc4)CC3)cc2)N1c1ccn2ccnc2c1 198381566 XDFILYMWNKANIW-DEOSSOPVSA-N 438.535 3.932 10 1 IHCF COc1cc(-c2nnc(-c3cc(O)c(O)cc3I)s2)ccc1O 473213474 JADNEWLFQQSJPE-UHFFFAOYSA-N 442.234 3.602 10 1 IHCF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2c(O)c(O)cc(O)c21 587479471 IFZCZJHLIQRGGG-RUZDIDTESA-N 432.428 3.915 10 1 IHCF C[C@](Cc1ccc(O)c(O)c1)(C(=O)O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661950 UUMWVIVQNKLJHF-DEOSSOPVSA-N 434.423 3.656 10 1 IHCF COc1ccc(N2CCN(c3ccc(-c4nc5ccc(C(N)=O)cc5[nH]4)cc3)CC2)cc1 34232913 JKOPNOKXGVFGRE-UHFFFAOYSA-N 427.508 3.664 10 1 IHCF COC(=O)c1ccc([C@@H]2NC(c3ccc4c(c3)OCO4)=C[C@H](c3ccccc3O)N2)cc1 102857142 XDDFDCNWARMUNW-HYBUGGRVSA-N 430.460 3.881 10 1 IHCF COc1ccc([C@]2(CCC(=O)O)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587807999 MMAIYANOTJUCJL-YBTHPKLGSA-N 438.293 3.945 10 1 IHCF CCOC(=O)COc1ccc(C(=O)c2ccc(O)c(CN(C)C)c2)c(Cl)c1Cl 29348168 KXVGJDPIJCJCFK-UHFFFAOYSA-N 426.296 3.934 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(O)c(CN3CCOCC3)c2)N1 587770720 DPZNZIVJJHFNSN-JLCFBVMHSA-N 449.364 3.924 10 1 IHCF COc1cc2c(OC)cc3c(c2cc1OC)N(C)[C@H](CO)c1c2c(cc(OC)c1-3)OCO2 299826008 OFSYBLRMGKTMPM-OAHLLOKOSA-N 439.464 3.753 10 1 IHCF CN(C)c1ccc(C(=O)[C@@]2(c3ccc(N(C)C)cc3)NCCc3c(C(=O)O)cccc32)cc1 963120986 IGXZCJUWWSYYMB-MHZLTWQESA-N 443.547 3.789 10 1 IHCF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587194280 PIAZGAHFXBAKTC-SFHVURJKSA-N 448.523 3.856 10 1 IHCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(CN3CCN(C)CC3)c2)N1 587765953 LIYRVFBEHZRCGH-JLCFBVMHSA-N 448.380 3.665 10 1 IHCF COc1cccc2cc3c(nc12)[C@@](C)(c1ccc(N2CCC(C(=O)O)CC2)cc1)NCC3 963049755 AOWIBSNWIROEPC-AREMUKBSSA-N 431.536 3.954 10 1 IHCF CC(=O)c1ccc2c(c1)[C@@H](c1ccc(O)c(O)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962631340 KJDCVXGYXPLAQW-FXAWDEMLSA-N 427.453 3.636 10 1 IHCF COc1ccc(N2C[C@H](C)N[C@H](C)C2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 95598611 SZGIMGKYZVQPQC-BETUJISGSA-N 444.384 3.989 10 1 IHCF Cc1cc(C)c2c(c1O)[C@H](NC(=O)CN1CCN(c3cccc(F)c3)CC1)C(C)(C)C2 26147843 LEGQTCQVWVDYFY-DEOSSOPVSA-N 425.548 3.710 10 1 IHCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(=O)[C@H](c2ccc(O)c(O)c2)Oc2ccc(C)cc21 587407111 AHUYFMVCQNEPRJ-DHLKQENFSA-N 431.444 3.860 10 1 IHCF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccc(O)c(O)c2C(=O)c2c(O)ccc(O)c21 587475798 ANVAIAIQUPXRIS-VWLOTQADSA-N 448.427 3.621 10 1 IHCF O=C(O)CCN1C(=O)/C(=C/c2nc3ccccc3n2Cc2ccccc2F)SC1=S 1857772045 QXWQAACKOLXZFV-BOPFTXTBSA-N 441.509 3.900 10 1 IHCF Cc1c(O)ccc2c1[C@H](c1c(C(F)(F)F)ccc(Br)c1O)N[C@H](C(=O)O)C2 963527905 REPFVPZTYZMTBO-XHDPSFHLSA-N 446.219 3.876 10 1 IHCF C=c1c(O)c(O)cc2c1=CC=C1[C@@]3(C)CC[C@@]4(C)[C@H](O)C(=O)[C@H](C)C[C@H]4[C@]3(C)CC[C@]12C 169720379 VHEPNPYKWATMAR-ZRWKYKNNSA-N 436.592 3.679 10 1 IHCF Cc1c(O)ccc2c1[C@@H](c1c(C(F)(F)F)ccc(Br)c1O)N[C@H](C(=O)O)C2 963527900 REPFVPZTYZMTBO-NHYWBVRUSA-N 446.219 3.876 10 1 IHCF CN(C)CCNc1c2c(c(NCCN(C)C)c3sccc13)C(=O)c1ccccc1C2=O 40934102 BLQAFRHLJBXAMF-UHFFFAOYSA-N 436.581 3.624 10 1 IHCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(S(=O)(=O)O)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587277437 VYTLODSZXLDJAJ-LPMFXHHGSA-N 426.454 3.853 10 1 IHCF Cc1c(C=C2C(=O)NC(=O)NC2=O)c2ccccc2n1Cc1ccc(Br)cc1 473107780 KSOKODPBZKZMBX-UHFFFAOYSA-N 438.281 3.510 10 1 IHCF COc1cc2c3c(c1)O[C@]1(C(=O)c4ccccc4O[C@@H]1c1ccc(O)c(O)c1)[C@@H](C2)C3=O 587456370 UOIDWMNILHRASS-CSKMKTBNSA-N 430.412 3.609 10 1 IHCF COc1ccc(OCCOc2ccc(C[C@@H]3C(=O)C(=O)c4ccccc4C3=O)cc2)cc1 169721172 JDXJQTVYTKIEEE-QHCPKHFHSA-N 430.456 3.960 10 1 IHCF O=C(O)CN1C(=O)/C(=C/c2ncc(-c3ccc(Br)cc3)s2)SC1=S 13678238 NODKHKFIEDWPSF-YHYXMXQVSA-N 441.353 3.858 10 1 IHCF COc1cc2c3c(n(CCCN=[N+]=[N-])c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2 27191004 GJYSNWJDHPCILU-UHFFFAOYSA-N 434.408 3.659 10 1 IHCF CC[C@]1(c2c(O)cc(O)cc2O)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963186906 RSGQXUCIOKNDNS-UGSOOPFHSA-N 431.794 3.728 10 1 IHCF O=C(c1cccc(Cl)c1NS(=O)(=O)c1cccc2nsnc12)N1CCCCC1 35064980 QZXZSXAVMYOXQI-UHFFFAOYSA-N 436.946 3.772 10 1 IHCF Cc1ccnc(NS(=O)(=O)c2ccc(/N=N/c3c(C)[nH]n(-c4ccccc4)c3=O)cc2)n1 169715190 QSRAFNHRUIQRPQ-OCOZRVBESA-N 449.496 3.789 10 1 IHCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2C(=O)c3cccc([N+](=O)[O-])c3C2=O)N1 587750827 JSGGOVAVCUCBGE-VRLJFOIHSA-N 447.260 3.941 10 1 IHCF O=c1c2c(O)cccc2oc2cc(NS(=O)(=O)c3ccc(Cl)cc3)c(O)c(O)c12 1857759272 UWXXUPUPPCXMBZ-UHFFFAOYSA-N 433.825 3.517 10 1 IHCF CCC(C)(C)n1nnnc1[C@H](c1ccc(N(C)C)cc1)N1CCN(C2CCCCC2)CC1 20140020 LDSCTISAKYOJLD-QHCPKHFHSA-N 439.652 3.924 10 3 IHCF CO[C@@]1(C)Oc2cc(C=Cc3ccc(O)c(O)c3)oc(=O)c2C1=Cc1ccc(O)c(O)c1 2356531187 RNGFLTFOEGMRRY-DEOSSOPVSA-N 436.416 3.928 10 1 IHCF COc1cc2c(c(OC)c1CN1CCN(c3ccccc3)CC1)C(=O)c1ccccc1C2=O 45301607 ZVSNREMXEUWQRK-UHFFFAOYSA-N 442.515 3.801 10 1 IHCF O=S(=O)(Nc1cc(Sc2nnn[nH]2)c(O)c2ccccc12)c1ccc(Cl)cc1 84758015 XMQYZIKDVFNQNP-UHFFFAOYSA-N 433.902 3.664 10 1 IHCF CN(C)c1ccc(CN[C@@H]2CO[C@H]3[C@H]2OC[C@H]3OC(=O)Nc2cccc3ccccc23)cc1 2356813072 CCXOYMRBSCHDKE-ZKGSSEMHSA-N 447.535 3.779 10 1 IHCF CCOC(=O)Cc1cc(-c2ccc(OC)cc2)n(-c2ccc(S(C)(=O)=O)cc2)c1C 28862699 RZSWJJCZLKGXJB-UHFFFAOYSA-N 427.522 3.970 10 1 IHCF COC1=CC=Cc2cc(OC)c(OC)c(O)c2[C@]12NCCc1cnc3c(OC)cccc3c12 963055873 KHTMBBBECOKYGF-SANMLTNESA-N 446.503 3.913 10 1 IHCF CCCC[C@H](CNCC)COC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1ccccc1C2=O 85592726 BXLUCKNSKKRNEO-YWWLGCSWSA-N 427.541 3.889 10 1 IHCF biogenic,in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCNCC3)c(F)c2)N1 587726124 USOQQOZSQYIWMB-YEJXKQKISA-N 436.344 3.935 10 1 IHCF C[C@@H]1c2cc(O)c(O)cc2Oc2cc(O)c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 85951221 NPBRJVGHXMYLEJ-MRVPVSSYSA-N 436.372 3.951 10 1 IHCF biogenic CO[C@]1(C)Oc2cc(/C=C\c3ccc(O)c(O)c3)oc(=O)c2/C1=C/c1ccc(O)c(O)c1 213166390 RNGFLTFOEGMRRY-DYTGWNJCSA-N 436.416 3.928 10 1 IHCF O=C1c2cc3c(cc2-c2c1c1cc(F)c(F)cc1c(=O)n2CCCn1ccnc1)OCO3 653687440 INXOSBIKPYGOJK-UHFFFAOYSA-N 435.386 3.507 10 1 IHCF COc1ccc(O)c([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2N)c1 963133316 AVGHWIDXIPMBKP-XMMPIXPASA-N 434.492 3.788 10 1 IHCF O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccccc1OC(=O)/C=C/c1ccc(O)c(O)c1 1857641424 PZBQEAQLXNITBW-MKICQXMISA-N 448.427 3.884 10 1 IHCF O=C([C@H]1Cc2ccccc2[C@@]2(CCc3c(Br)ccc(O)c32)N1)C(F)(F)F 962730050 LLENPRUFBRUPKK-RDTXWAMCSA-N 426.232 3.990 10 1 IHCF CCOC(=O)C(=O)c1cc(-c2ccc(F)c(F)c2)n(-c2ccc(S(C)(=O)=O)cc2)c1C 28862749 BXTJBDFTOZHBBP-UHFFFAOYSA-N 447.459 3.880 10 1 IHCF CN(CCO)c1ccc(-c2nc3c(Br)ncc(Br)c3[nH]2)cc1 587193283 XBISFXAWXYTYEP-UHFFFAOYSA-N 426.112 3.578 10 1 IHCF O=C(O)CCCCN1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)S2)CC1 96174476 QRKSILKQCARRTQ-VBKFSLOCSA-N 442.368 3.836 10 1 IHCF COc1cc(CC[C@H](O)CC(=O)CC2(c3cc(O)c(O)c(OC)c3)CCCC2)ccc1O 2356631834 PZZUIVJWQUTGTJ-SFHVURJKSA-N 444.524 3.975 10 1 IHCF COc1cccc2c3c(cnc12)CCN[C@]31c2ccccc2C(=O)c2cc(O)c(C)c(O)c21 963055719 JWXCWKANEGFXBU-HHHXNRCGSA-N 438.483 3.945 10 1 IHCF COc1cc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(O)c(O)c2)cc(OC)c1OC 653687973 CABPEUCXPMAGSG-GGAORHGYSA-N 437.448 3.659 10 1 IHCF COc1c(O)c(O)cc([C@@H]2C[C@H](O)C[C@H](CCc3ccc(O)cc3)O2)c1Cc1cc[nH]c1 2356371508 KYTYEKQKHRTUFH-MSYCTHLASA-N 439.508 3.945 10 1 IHCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(C[C@@H](O)CN4CCCC4)c4ccccc14)[C@@H](C2)C3=O 587445312 USJPRUKGZKFJTQ-INXRYCJYSA-N 446.547 3.904 10 1 IHCF