smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1ccc(-c2ccc(CCC(=O)O)n2CCCc2ccc(Cl)c(Cl)c2)cc1 587943028 IUEYVOQQWHFLGH-UHFFFAOYSA-N 432.347 6.121 10 1 IKCF O=C(NCc1ccccc1)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCCCC3)c12 1772614282 PIVACFVGQLQMPM-UHFFFAOYSA-N 440.543 5.721 10 1 IKCF Oc1ccccc1[C@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962962625 WKLVMWLFOYMIQY-RUZDIDTESA-N 439.477 5.354 10 1 IKCF CN(Cc1ccc(N(C)C)cc1)Cc1ccccc1CNc1ccnc2cc(Cl)ccc12 72121466 WTIFQAKTZKFXFJ-UHFFFAOYSA-N 445.010 6.198 10 1 IKCF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2C[C@@H]3CCCC[C@H]3C2)cc1 169332691 CAQFTFMMBYLMRM-OALUTQOASA-N 436.987 5.107 10 1 IKCF CCc1ccc(-c2nc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)cs2)cc1 587015751 JUNSIPMXOQPNMR-UHFFFAOYSA-N 435.508 5.691 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(Cc3ccccc3Cl)c3ccccc13)O2 587379951 YXCJUZXWXOSYSO-XMMPIXPASA-N 430.935 6.249 10 1 IKCF Cc1cc(-c2csc([C@H](C)CN(C)C(=O)c3ccccc3)n2)c(C)n1-c1ccccc1F 587922616 RJAAKLOTHIHMJR-QGZVFWFLSA-N 447.579 6.232 10 1 IKCF Cc1cc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C)n1-c1ccc(Cl)cc1 962696881 HARJOBWIKJABKT-CJFMBICVSA-N 441.015 6.340 10 1 IKCF CCCCS[C@H]1C[C@H]2C(C)(C)CCC[C@]2(C(=O)OC)c2c1cc(C(C)C)c(O)c2O 1857586669 ZGXATVQQSWVMBR-XHNVNVPESA-N 434.642 6.436 10 1 IKCF CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3oc4cc(O)c(O)cc4c3c(=O)c2c1O 15206065 XBXUKLQKPSKGLJ-UHFFFAOYSA-N 436.460 5.532 10 1 IKCF biogenic Cc1ccccc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587751695 NZMYTOQVZICCMW-PSLXWICFSA-N 427.361 5.928 10 1 IKCF CCN(CC)c1ccc(CN(CC2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 95587675 TVKFBBFTWFSSOT-UHFFFAOYSA-N 428.642 5.612 10 1 IKCF Oc1cc2c(cc1O)CN(CC[C@@H](Oc1ccccc1C(F)(F)F)c1ccccc1)CC2 13530664 KCMGKHORSUDFCC-HSZRJFAPSA-N 443.465 5.685 10 1 IKCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CSc1ccccc12 587619951 WDSSOKJLLLCJRZ-SHQCIBLASA-N 438.504 5.903 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 587822140 LHUIEAQCQVTMMP-NPMABZOXSA-N 440.312 5.397 10 1 IKCF CCCCCCc1c(-c2ccc(O)c(O)c2)oc2cc(OC)c(OC)c(OC)c2c1=O 13822657 AGHLBKAXSXUIGE-UHFFFAOYSA-N 428.481 5.020 10 1 IKCF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@@H]1c1ccc(Br)cc1 103191220 IJMJCBCRKMPZLD-JOCHJYFZSA-N 438.325 5.096 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587272963 YDIOZQVSOOWWBO-CLUVUEOHSA-N 448.832 6.278 10 1 IKCF Cc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(=O)O)cc1 587511758 INBBJMNQQWKPIX-HHHXNRCGSA-N 429.516 5.552 10 1 IKCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587767838 JWHLDCIIGZEXFM-VLBPEIEJSA-N 445.376 5.015 10 1 IKCF COc1cc(C/N=N/c2ccc(Cl)c(C(=O)O)c2)ccc1OC(=O)c1ccccc1F 169688325 KAQZAPQMSSUHOC-OCEACIFDSA-N 442.830 5.689 10 1 IKCF CCc1c(-c2c(C)c3ccccc3n2C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362777 NDUHTRWFHATICN-UHFFFAOYSA-N 446.550 7.686 10 1 IKCF Cc1c([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccccc2n1CCF 962962606 SSPWODBUHDBONC-HSZRJFAPSA-N 446.488 5.679 10 1 IKCF COc1c(CC=C(C)C)c(O)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)c(O)c1)CC2=O 14727538 JYYYAFQRQMMXDY-QFIPXVFZSA-N 438.520 5.536 10 1 IKCF biogenic COc1ccc([C@H](Nc2nc3ccccc3s2)c2c(O)ccc3ccccc23)c(OC)c1 169351654 NMCJCYQUSSOXQR-VWLOTQADSA-N 442.540 6.374 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1cccc(O)c1)CCC2(C)C 84688042 NMKSUIQWGPATJR-GOSISDBHSA-N 430.456 5.309 10 1 IKCF CN(C)c1ccc(/C=C\c2sc3ccccc3[n+]2CCCCOc2ccccc2)cc1 90161956 GJOLHTXDSNPTMZ-UHFFFAOYSA-N 429.609 6.284 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)cc2)cc1 587195999 OKKCJKUSGTUURM-UHFFFAOYSA-N 448.530 7.086 10 1 IKCF Cc1ccc(OC[C@@]2(c3ccc(O)cc3O)NCCc3ccc(F)c(C)c32)c(C(C)(C)C)c1 962381442 YEFQKVIETQEOGR-NDEPHWFRSA-N 449.566 5.620 10 1 IKCF Nc1ccc(Oc2ccc3nc(Cn4nc(C(F)(F)F)c5c4CCCC5)[nH]c3c2)cc1 587120153 UPRYZIJVZVGUMJ-UHFFFAOYSA-N 427.430 5.080 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 587756614 RJDBRDMABJNVIC-VOIUYBSRSA-N 439.372 5.480 10 1 IKCF CC(C)CC(=O)OC[C@H](C)CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O 1857607081 JCKZLCDLYGIHGC-XDNAFOTISA-N 434.573 5.809 10 1 IKCF COc1ccc(C(=O)O[C@@H]2CCC(C)(C)c3ccc4c(c32)C(=O)C(=O)c2c(C)coc2-4)cc1 84688346 PTSRMBSCBNXLOQ-LJQANCHMSA-N 444.483 5.612 10 1 IKCF CC[C@@]1(c2ccc(Br)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587677766 IWPSKGPDRSIDFH-MGNBDDOMSA-N 443.154 5.244 10 1 IKCF Cc1c(CNC2CCCCCC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(C(C)C)cc1 1857535419 VFRIDECAJACSQQ-UHFFFAOYSA-N 435.055 8.042 10 1 IKCF CC(C)=CCCC(C)=CC[C@@]1(O)C(=O)c2cc(O)cc(O)c2C(=O)[C@]1(Cl)CC=C(C)C 2356637017 DRVVWOVFACYRGZ-JWQCQUIFSA-N 446.971 5.625 10 1 IKCF CCCc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(Cl)cc2)cc1 42878849 FANTXTJKGOMWAD-UHFFFAOYSA-N 425.041 6.607 10 1 IKCF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)cc2)CC1 586881971 YRGKYWOLODPFEE-MEMLXQNLSA-N 439.603 8.068 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)c(Br)cnc3[nH]1)[C@@H]1CC=C[C@H]21 587271269 ADGOOBSSOAOHJE-JCGVRSQUSA-N 440.301 5.072 10 1 IKCF CN(C)c1ccc([C@@H](O)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513297 RIWBMQXMWAKFLD-VSGBNLITSA-N 427.544 5.226 10 1 IKCF COc1ccccc1-n1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587752953 UTSHKMUHIWCNHL-JCQPUDPBSA-N 443.360 5.628 10 1 IKCF Cc1cc(Br)ccc1-c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587921808 AHJCBGHSZXAESN-UHFFFAOYSA-N 441.369 7.095 10 1 IKCF CCOC(=O)c1c(-c2ccc(F)cc2OC)oc2ccc(O)c(CN3CCCCC3)c12 1772615427 BCMZPLPBKLDFJO-UHFFFAOYSA-N 427.472 5.116 10 1 IKCF CN1C[C@@H](c2ccccc2)c2cc(O)c(CN3CCCCC3)cc2C[C@@H]1Cc1ccccc1 45323662 PHNIMNKOWAJGED-YTMVLYRLSA-N 440.631 5.609 10 1 IKCF Cc1cc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(C)n1-c1ccc(Cl)cc1 962696884 HARJOBWIKJABKT-CPJSRVTESA-N 441.015 6.340 10 1 IKCF CCCN(CCC)CCCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 45193910 ZUJUVPIJKVSMIF-LJQANCHMSA-N 442.047 7.143 10 1 IKCF CN1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]21 253644987 KCGKCOSXAOFVQE-AVPJRLCVSA-N 442.603 5.526 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@H]21 587276525 LNLQTDGBSGEKPL-KSMMKXTCSA-N 430.386 5.505 10 1 IKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccc(C)cc2)c1O 28022304 IYWJTTOYGJYIRZ-UHFFFAOYSA-N 445.994 7.155 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(Br)cc3F)c1C)O2 587380954 DGAJBGRQDZSIBI-NRFANRHFSA-N 443.316 5.593 10 1 IKCF CC(C)=CCCC(C)=CCCC(C)=CCc1cc(C=Cc2cc(O)cc(O)c2)cc(O)c1O 2356588782 GURMLGZVJSKJFW-UHFFFAOYSA-N 448.603 7.641 10 1 IKCF CCn1c(/C=C/C=c2\c3cccc4cccc(c43)n2C)[n+](CC)c2cc3ccccc3cc21 13452976 BHUUTCSAQXIUDY-UHFFFAOYSA-N 430.575 5.980 10 1 IKCF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@H](c3c(Cl)cccc3Cl)C2)ccc1O 35013090 ZOVRKSCTTOMYFR-IBGZPJMESA-N 426.303 5.394 10 1 IKCF Oc1c(Br)cc(C/N=N/c2c(Cl)cncc2Cl)cc1Br 169690351 ZYVWVWPTZDPVMX-VHEBQXMUSA-N 439.922 5.903 10 1 IKCF CC(=O)NCc1cc(-c2ccc(C=CC(=O)O)cc2)cc(C2C3CC4CC(C3)CC2C4)c1O 2356752964 JCRCCRAIKAKDLK-UHFFFAOYSA-N 445.559 5.333 10 1 IKCF COc1ccc(OCc2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 587924349 TYGSAQFHOAPQPS-UHFFFAOYSA-N 436.602 6.527 10 1 IKCF Oc1c([C@H](Nc2ccccc2)c2c(F)cc(Br)cc2F)ccc2cccnc12 653808107 LUQTVGMLTVPSCK-NRFANRHFSA-N 441.275 6.183 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)Nc4ccc(C)cc4)n3)c2C)c1 587924432 YDSQJHDXGBKLEG-UHFFFAOYSA-N 447.629 6.429 10 1 IKCF CCCCc1ccc(-n2c(C)ccc2-c2ccc(S(C)(=O)=O)cc2)c(Br)c1 587936170 KZEOFJFCIAKWLO-UHFFFAOYSA-N 446.410 5.961 10 1 IKCF C[C@@H]1C[C@@H]2[C@@](C)(CC[C@]3(C)[C@]4(C)C=Cc5c(cc(O)c(O)c5C=O)C4=CC[C@@]23C)CC1=O 40848336 ZIHMKXOMCSCWJB-AHRBEJICSA-N 434.576 6.158 10 1 IKCF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2c1 587271833 JLLHXRXMJQLXIE-PJIJBLCYSA-N 438.871 5.046 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)[C@@H]1CC=C[C@H]21 587277158 PVFVGQQOXRLDFL-RVFQGNMQSA-N 448.486 5.702 10 1 IKCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(N=Nc2ccccc2)ccc1O 587571935 NCMQVCLHJIEHOQ-BVAGGSTKSA-N 438.439 6.216 10 1 IKCF CCCCN(CCCC)c1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587738586 BNSYPQQLMZJMJQ-BXKMTCNYSA-N 447.436 6.618 10 1 IKCF COc1ccc([C@H]2CC(c3ccc(O)c(C)c3)=NN2C(=S)Nc2ccccc2OC)cc1 28653326 WGRFYZYGYGIFRM-JOCHJYFZSA-N 447.560 5.266 10 1 IKCF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1F 587724847 MAOJQNPFJAIEPP-SAHAZLINSA-N 449.314 5.898 10 1 IKCF Cc1ccc(O)c([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587820916 GBIGLFQNEVITOL-IQMFZBJNSA-N 426.329 5.428 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cccc(Cl)c3Cl)c1C)CC2=O 587460951 HVSXPJNSYLKDKT-QFIPXVFZSA-N 444.358 6.766 10 1 IKCF Cc1ccccc1-n1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587751698 NZMYTOQVZICCMW-QKFKETGDSA-N 427.361 5.928 10 1 IKCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587767749 JGMKZVKGSFKLFM-LHWAMFIRSA-N 445.376 5.015 10 1 IKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2)([C@H](O)c2ccc(N(C)C)cc2)N1 962955098 RSJCYTQMGJWLFL-FQNJNTOFSA-N 425.576 5.135 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(Cl)cc12 29469285 RVAGMRKFEDUGPE-UHFFFAOYSA-N 427.913 5.165 10 1 IKCF Cc1ccc(-c2cc(Br)ccc2OCC(C)C)n1-c1cccc(C(=O)O)c1 40763306 PLVUSCXXUJXDAH-UHFFFAOYSA-N 428.326 5.948 10 1 IKCF COc1ccc(C)cc1NC(=O)OC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(N(C)C)cc1 101190946 LLKXKYKXJPUWCM-FGZHOGPDSA-N 437.584 5.204 10 1 IKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(/C=C/c2ccc(O)c(O)c2)cc1O 1857746906 RNBVIZOPZQHBFX-OKGMQGNASA-N 448.603 7.641 10 1 IKCF CS[C@]12c3cc(C)n(-c4ccccc4)c3CC(C)(C)CN1C(=O)[C@@H]2Oc1ccccc1 1862063 UWXXNCLSFKTBBZ-OZXSUGGESA-N 432.589 5.174 10 1 IKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1F 587570365 WKFGGJSCYCYMRC-BVAGGSTKSA-N 447.437 5.781 10 1 IKCF CN(CC(=O)N[C@H](c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O)c1ccccc1 40897636 SCNAWHFIKKBCAN-HSZRJFAPSA-N 449.913 5.075 10 1 IKCF O=C1c2ccccc2C(=O)[C@@H]2CC3=C(CC4=C(C3)C[C@@H]3C(=O)c5ccccc5C(=O)[C@@H]3C4)C[C@H]12 504655516 VAYZZDIZEPUMDU-FATVKVNYSA-N 448.518 5.584 10 1 IKCF biogenic O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c21 587047753 BLSQFQGSFHFODK-CABCVRRESA-N 433.294 5.916 10 1 IKCF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 587732027 MSIFIWICBVGGPS-AMXDTQDGSA-N 431.324 5.758 10 1 IKCF Cc1cc(-c2csc(-c3ccc(Oc4ccccc4)cc3)n2)c(C)n1-c1ccccc1F 587922055 IHVMPJKVLHDPFK-UHFFFAOYSA-N 440.543 7.816 10 1 IKCF CCCCCCNS(=O)(=O)c1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1 26841358 PGWVSSCPPHFXMS-UHFFFAOYSA-N 448.592 5.572 10 1 IKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(CN(CC)CC)c1O 28007393 KWONJCLDLJEYEX-UHFFFAOYSA-N 441.019 6.021 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cccc(Cl)c3Cl)c1C)CC2=O 587460949 HVSXPJNSYLKDKT-JOCHJYFZSA-N 444.358 6.766 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 587724600 KCGQBKOJBPVSJL-FPTDNZKUSA-N 435.356 5.515 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(-c3ccccc3)ccc2O)N1 587821110 GSICIXNESMKNTC-FATZIPQQSA-N 426.329 5.759 10 1 IKCF Oc1ccc2cc(Br)ccc2c1[C@@H](c1cccc2ccccc12)N1CCCCC1 653708530 ZMBUFZKCMZXHNY-AREMUKBSSA-N 446.388 7.036 10 1 IKCF O=C(Nc1cccc(Cl)c1)c1cc(N=Nc2ccc([N+](=O)[O-])cc2Cl)ccc1O 263596914 GDXQTBCVFFUYAF-UHFFFAOYSA-N 431.235 6.275 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(-c5ccc(N)c(N)c5)ccc4[nH]3)cc2)cc1 587195156 GOSDONNHOHMPLV-UHFFFAOYSA-N 447.546 6.543 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(N5CCCC5)nc4)n3)c2C)c1 587924210 LQZCXMCNOBCCRG-UHFFFAOYSA-N 446.645 6.602 10 1 IKCF CC[C@H]1CN(c2ccc([C@H]3c4ccc(O)cc4CCN3c3ccccc3)cc2)CCN1C 13607719 VPWBEIUMAJCDIT-FIPFOOKPSA-N 427.592 5.075 10 1 IKCF O=C1C(=O)c2cc(NC(=O)c3c(Cl)cc(Cl)cc3Cl)ccc2-c2ccccc21 13862838 IFAOXDCXJUYYER-UHFFFAOYSA-N 430.674 5.945 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(-c3ccccc3)ccc2O)N1 587821112 GSICIXNESMKNTC-PSLXWICFSA-N 426.329 5.759 10 1 IKCF CCCCCCc1c(-c2ccc(O)c(O)c2)oc2c(OC)c(OC)cc(OC)c2c1=O 2014142 YVBZPEUAWVSUKH-UHFFFAOYSA-N 428.481 5.020 10 1 IKCF Oc1c(CN2CCCC2)cc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC1 4215032 UNJNCKMZXXZIBE-UHFFFAOYSA-N 436.987 5.529 10 1 IKCF Cc1ccc([C@@H](NC(=O)COCc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 40919060 XXEIIQNKCAMOGD-XMMPIXPASA-N 446.934 5.325 10 1 IKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc(OCc4ccccc4)cc3[nH]1)N2 587078609 XHLIMHBBEKBLDP-DFIYOIEZSA-N 427.935 6.622 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)cc2O)N1 587804955 FYHPVPPQXMZTDJ-QKFKETGDSA-N 442.328 5.496 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)ccc2O)N1 587811235 VYIUVEBGPALVIE-LFVRLGFBSA-N 442.328 5.496 10 1 IKCF O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]32)c1)c1ccc(F)cc1 63540171 ZZIXCHIEESZZDI-QQNWGBJXSA-N 434.514 7.058 10 1 IKCF COc1ccc(Nc2c(-c3ccc(C)cc3)c(C)nn2-c2ccccc2C)c(C(=O)O)c1 64526896 ZJCDMXDJVDYMRY-UHFFFAOYSA-N 427.504 5.915 10 1 IKCF Cc1cc(C=O)c(C)n1-c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586986414 AZMSRRYSYDLGIU-UHFFFAOYSA-N 444.490 6.039 10 1 IKCF O=C1c2cscc2C(=O)c2c(OCc3ccccc3)ccc(OCc3ccccc3)c21 1856410 UUPOCRWJAMPRTK-UHFFFAOYSA-N 426.493 5.682 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1ccc1ccccc12 3798030 DEXVMQVUMKRDSW-UHFFFAOYSA-N 443.528 5.665 10 1 IKCF O=C(COc1ccccc1)N[C@H](c1ccccc1F)c1cc(Cl)c2cccnc2c1O 40933287 HQJSTRJMOYWSMG-JOCHJYFZSA-N 436.870 5.018 10 1 IKCF CN(CCCC(C)(C)N=[N+]=[N-])[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253634004 MCTPUCATBKPDNG-BDLAIMMBSA-N 428.665 6.480 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C 587752060 PVOJGOCBVUAIGS-IZHWHUGBSA-N 441.388 6.236 10 1 IKCF CC(C)=CCc1c(O)c(O)cc2c1O[C@H](C=C(C)C)c1c-2oc2cc(O)cc(O)c2c1=O 238743419 HQHRLWSKIQYUES-GOSISDBHSA-N 436.460 5.191 10 1 IKCF COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587806776 JINJLVDRQZLXDA-PSLXWICFSA-N 442.328 5.129 10 1 IKCF C[C@@]1(c2cc(Br)cc(Cl)c2O)NCCc2cccc(-c3ccccc3)c21 962659259 BKOQHRWUQUFWCP-QFIPXVFZSA-N 428.757 5.884 10 1 IKCF C[C@H](/N=N/c1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc(N2CCOCC2)cc1 169690365 IYLAKXJVLSLUML-GYLHMGTDSA-N 443.718 5.422 10 1 IKCF CSc1cccc(N=c2[nH]c(-c3cc(C)n(-c4ccc(Cl)cc4)c3C)cs2)c1 473087657 LINNQBJGPLDJGB-UHFFFAOYSA-N 426.010 6.758 10 1 IKCF COC(=O)[C@H](C)c1ccc(-c2ccc(NCc3cc(NC(C)=O)ccc3O)cc2)c(F)c1 1911581407 WVNVIUIYWFIRCB-OAHLLOKOSA-N 436.483 5.045 10 1 IKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COC(=O)c1cc(O)c(O)c(O)c1 13513131 RVBFYPXDIKAGGS-FLPKSHQQSA-N 442.596 7.106 10 1 IKCF Cc1cc(-c2csc(-c3ccccc3Br)n2)c(C)n1-c1ccccc1F 587922997 ZVLWBUVQHWXCHI-UHFFFAOYSA-N 427.342 6.786 10 1 IKCF COc1ccccc1C=C1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O 653779449 IQSBOZDBPWIJFR-UHFFFAOYSA-N 439.298 5.380 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1ccccc1O)CCC2(C)C 84687714 QWRVFPVDZOIIBN-GOSISDBHSA-N 430.456 5.309 10 1 IKCF C[C@@H]1C[C@H]2[C@]3(C)CC[C@]4(C)[C@H](CC[C@@H]5[C@@H](C)C(=O)C(=O)C[C@H]54)[C@@]3(C)CC[C@@]2(C)[C@H](O)C1=O 169720456 OOALVIYVCHJQAF-VXTRBEKZSA-N 442.640 5.006 10 1 IKCF Oc1ccc2cc1-c1cc(ccc1O)CCc1c(ccc(O)c1O)Oc1cccc(c1)C=C2 255273126 VJVIVKRBECFLNS-UHFFFAOYSA-N 438.479 6.237 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 587272137 OADVVPOZNFZGAF-LXIYXOSZSA-N 425.286 5.369 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Br)c2O)N1 587679069 QADJUCZWGIXYBG-NZFNHWASSA-N 449.545 5.333 10 1 IKCF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1F 587724848 MAOJQNPFJAIEPP-XFNZEKPQSA-N 449.314 5.898 10 1 IKCF Cc1ccnc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587750063 GGLNARIZBBMJDW-MCMMXHMISA-N 428.349 5.323 10 1 IKCF Cc1ccc(-c2ccc(CCC(=O)O)n2CC[C@H](c2ccc(F)cc2)c2ccco2)s1 587946367 RZFPOTWHXUZRAT-OAQYLSRUSA-N 437.536 6.497 10 1 IKCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 962949108 PFXCZMKBNBRPNO-ADKRDUOOSA-N 448.522 6.054 10 1 IKCF COc1ccc(-c2nc(NCc3ccc(N(C)C)cc3)sc2Cc2ccccc2)cc1 210752884 RRUWOWKLZYZBGR-UHFFFAOYSA-N 429.589 6.088 10 1 IKCF CCCCCCc1cc2c(C)cc3c(c2oc1=O)C(=O)c1c(OC(C)C)cccc1C3=O 473084703 UBHSSEYMFOLXCD-UHFFFAOYSA-N 432.516 5.787 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4nnn(-c5ccc(F)cc5)c4C4CC4)[nH]c3c2)cc1 587168736 OJHRVIMWPTUWFB-UHFFFAOYSA-N 426.455 5.202 10 1 IKCF COc1cc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccc(Cl)cc3)C2)ccc1O 1857769981 PTMJODMVNSKPHJ-HXUWFJFHSA-N 437.952 5.602 10 1 IKCF Cc1c(CN2CCSCC2)cc(-c2ccc(C(F)(F)F)cc2)n1-c1ccc(F)cc1 64447296 PBNDVVYVJSUKMX-UHFFFAOYSA-N 434.502 6.159 10 1 IKCF Cc1cc(Br)c2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2c1 587195196 GWDNZNHPKMNKJV-UHFFFAOYSA-N 434.341 6.782 10 1 IKCF COc1cc2c3c(c1)O[C@](C)(c1c(C)[nH]c(N=Nc4cccc(C(=O)O)c4)c1C)[C@@H](C2)C3=O 587436854 BKARWQJYFLWPEH-BVZFJXPGSA-N 445.475 5.417 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(-c3ccccc3)ccc2O)N1 587823477 UNERLEKALRJUKT-QKFKETGDSA-N 426.329 5.759 10 1 IKCF COc1cccc(N2C(=O)/C(=C/c3ccc4c(c3)c3ccccc3n4C)SC2=S)c1 1857555778 VELBZVBJZGPKBI-XKZIYDEJSA-N 430.554 5.746 10 1 IKCF COc1ccc(CNCc2cc(-c3ccnc4cc(Cl)ccc34)ccc2O)c(OC)c1 12049483 IXFQJARKOHOZGY-UHFFFAOYSA-N 434.923 5.568 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(Cc3ccccc3Cl)c3ccccc13)O2 587379950 YXCJUZXWXOSYSO-DEOSSOPVSA-N 430.935 6.249 10 1 IKCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587767834 JWHLDCIIGZEXFM-LHWAMFIRSA-N 445.376 5.015 10 1 IKCF COc1ccc([C@@H](c2ccccc2)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587934757 FWFGFMVQOGFGDM-XMMPIXPASA-N 444.490 5.527 10 1 IKCF Cc1c(Br)ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc12 587194915 CXLUJSAOTIAYMD-UHFFFAOYSA-N 434.341 6.782 10 1 IKCF COc1cccc(CC2C(=O)N(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1 28520450 YGNJTTKYTUKVJB-UHFFFAOYSA-N 441.314 5.156 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)[C@@H]1CC=C[C@@H]21 587277157 PVFVGQQOXRLDFL-RKPUJPDHSA-N 448.486 5.702 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(OCC5CC5)cc4)n3)c2C)c1 587924450 ZAIGSTVWQJTZEK-UHFFFAOYSA-N 446.641 7.395 10 1 IKCF CC[C@]1(c2cc(Br)ccc2O)c2ccsc2CCN1Cc1cccnc1 963002658 CVURDBHXSWTPBL-OAQYLSRUSA-N 429.383 5.323 10 1 IKCF Cc1c(O)c(O)cc2c1CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C 39182232 FKARAOWYAAUAFW-MGRBCSRPSA-N 440.624 5.419 10 1 IKCF Cc1c(CN2CCSCC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(C(C)C)cc1 45496827 JUYSNAYXBVRCAX-UHFFFAOYSA-N 425.041 6.778 10 1 IKCF O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@@H]32)c1)c1ccc(F)cc1 63540173 ZZIXCHIEESZZDI-VBOOUTDYSA-N 434.514 7.058 10 1 IKCF COc1ccc(C)cc1NC(=O)OC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(N(C)C)cc1 101190936 LLKXKYKXJPUWCM-VXKWHMMOSA-N 437.584 5.204 10 1 IKCF CO[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@H](OCc2ccc(Cl)cc2)[C@@H]1N=[N+]=[N-] 263603032 NBKQFQWEPBVLEY-FUMNGEBKSA-N 438.311 5.146 10 1 IKCF CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587510452 HBEIYGSOXDVVGI-MUUNZHRXSA-N 438.527 5.102 10 1 IKCF Oc1cc(O)c([C@@]2(Cc3ccc(Cl)cc3)c3ccc(F)cc3C[C@@H]3CCCN32)c(O)c1 963102812 GCICQUGZLABOKB-UQBPGWFLSA-N 439.914 5.103 10 1 IKCF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc2N1 587122266 BFPVIBUQGNRXLW-BBATYDOGSA-N 428.418 5.108 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)cc3[nH]1)[C@H]1CC=C[C@H]21 587273025 YYYTYPKXPOBVNI-NJSLBKSFSA-N 425.286 5.369 10 1 IKCF COc1ccccc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587751746 OIAQQJWPHZODQI-ZLOXQWCVSA-N 443.360 5.628 10 1 IKCF CCN1CCN([C@@H](c2ccc(C(F)(F)F)cc2)c2cc(Cl)c3cccnc3c2O)CC1 96285973 JKUMTZMZMYVTEJ-NRFANRHFSA-N 449.904 5.340 10 1 IKCF O=C(Nc1ccccc1)c1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 587247146 HVCINNKPGDHHOS-UHFFFAOYSA-N 443.462 5.258 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc4c(c3)OCCO4)c1C)CC2=O 587471496 RVXTUFRMDZIBRA-DEOSSOPVSA-N 433.504 5.230 10 1 IKCF CCCCN(CCCC)c1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587741624 ODWPYBGEMWAMSJ-XDHUDOTRSA-N 447.436 6.618 10 1 IKCF Cc1ccnc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587749790 GCJBWQGXULNUQQ-DMZKTXOQSA-N 428.349 5.323 10 1 IKCF COc1ccc(O)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587805960 GXPALKRHVIDFPX-PSLXWICFSA-N 442.328 5.129 10 1 IKCF Oc1cc2c(c(Cl)c1O)CCN(Cc1ccc(C(F)(F)F)cc1)C[C@@H]2c1ccccc1 27107015 YITDINSHMOIMHM-HXUWFJFHSA-N 447.884 5.960 10 1 IKCF CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3cccs3)ncnc21 82190204 PTBYCRFQJCLFPU-UHFFFAOYSA-N 446.624 5.957 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c1C)O2 587381113 GALKEUZQQVAAPN-NRFANRHFSA-N 448.872 6.363 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc4c(c3)CCC4)CC2)N1 587768198 LJCJJBQBAIOLHX-HNNXBMFYSA-N 429.377 5.107 10 1 IKCF CCN(Cc1ccccc1)c1ccc([C@@H]2c3cccc(Br)c3CCN2C)cc1 963270604 QBTOYQSDHUXPTK-RUZDIDTESA-N 435.409 6.053 10 1 IKCF COc1ccc2c(c1)[C@@H](c1c(O)ccc3ccc(O)cc13)N(Cc1ccc(F)cc1)CC2 963300727 HQGRJMMDBHUMOD-MHZLTWQESA-N 429.491 5.546 10 1 IKCF O=C1/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC(=S)N1Cc1ccccc1 84728062 BTRBJCYSVFYJLN-SOFYXZRVSA-N 448.352 5.501 10 1 IKCF COc1ccc2c(c1OC)[C@H](c1cc(C)n(-c3ccc(C)cc3)c1C)NCC21CCOCC1 963195784 WNEZGHBHSKLLQK-SANMLTNESA-N 446.591 5.161 10 1 IKCF O=C(OCCC12CC3CC(CC(C3)C1)C2)c1cc(NCc2cc(O)ccc2O)ccc1O 3799376 UKUPIEIGJLWQAX-UHFFFAOYSA-N 437.536 5.179 10 1 IKCF COc1ccc([C@H](c2ccccc2)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587934756 FWFGFMVQOGFGDM-DEOSSOPVSA-N 444.490 5.527 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(Br)c(F)cc3F)[nH]c21 587135975 JBBPEEFLNKMBNH-UHFFFAOYSA-N 439.215 5.046 10 1 IKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)c(F)c1F 587504595 JOYBXMMESZZKNQ-JOCHJYFZSA-N 425.450 6.097 10 1 IKCF Cc1noc(C)c1-c1cnc2c(-c3ccc(N)nc3)cn(CC3CCC(F)(F)CC3)c2c1 653721721 CDTZIRGMAPZYPZ-UHFFFAOYSA-N 437.494 5.778 10 1 IKCF CC(C)=CCCC(C)=CC[C@]1(O)C(=O)c2cc(O)cc(O)c2C(=O)[C@]1(Cl)CC=C(C)C 2356637019 DRVVWOVFACYRGZ-RPBOFIJWSA-N 446.971 5.625 10 1 IKCF COc1ccc([C@@H]2Sc3ccccc3-n3c(CNc4ccc(F)cc4)ccc32)c(OC)c1 13651972 MHDNFULXWYWLAO-SANMLTNESA-N 446.547 6.441 10 1 IKCF Cc1ccc([C@@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2ccccc2)cc1 299836939 IUEJRPNRKWUJEV-NRFANRHFSA-N 435.321 5.455 10 1 IKCF Nc1ccc(Oc2ccc3nc([C@H]4CCCN4C(=O)Nc4ccc(F)cc4)[nH]c3c2)cc1 587168438 WCHNLHNKRSVTIV-JOCHJYFZSA-N 431.471 5.446 10 1 IKCF CC(C)(C)CC(=O)Nc1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587242041 LXCRGGFKHKRACC-UHFFFAOYSA-N 437.499 5.380 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(C(=O)O)cc3C)c1C)CC2=O 587471834 WGHAVZFLEXEZIY-XMMPIXPASA-N 433.504 5.465 10 1 IKCF CC[C@@]1(c2ccc(Br)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587677330 IBXRZUCBAGJPGO-YPMLDQLKSA-N 443.154 5.244 10 1 IKCF COc1ccccc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587752957 UTSHKMUHIWCNHL-ZAMGYDSWSA-N 443.360 5.628 10 1 IKCF Oc1ccc(C2=C[C@@]3(NCCc4c(Cl)cc(Cl)cc43)c3c(O)cccc3O2)cc1 963105482 JUNQOSMPOGZWLU-QHCPKHFHSA-N 426.299 5.227 10 1 IKCF Cc1cc(-c2csc(Cc3ccccc3Br)n2)c(C)n1-c1ccccc1F 587922046 HYWSEZRUZZCACU-UHFFFAOYSA-N 441.369 6.710 10 1 IKCF CC[C@H](OC(=O)c1ccccc1)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922971 ZOLXUSXNHVHYTJ-QHCPKHFHSA-N 434.536 6.665 10 1 IKCF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)CN2CCc4ccccc4[C@@H]2N3C)cc1 95577698 UACCYHYWHFDBIH-AREMUKBSSA-N 427.548 5.928 10 1 IKCF Cc1ccc(C)c(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)c1 223777875 LSWGZFCIKXQVJX-CYYJNZCTSA-N 432.505 5.763 10 1 IKCF COc1ccc(C/N=N/c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1OC 169688066 YDDDCAUIQXNPNH-AZPGRJICSA-N 436.821 6.117 10 1 IKCF Cc1cc([C@@H]2c3ccsc3CCN2Cc2ccco2)c(C)n1-c1ccc(C(C)(C)C)cc1 962708585 JCLMUSYKUZBJIR-MHZLTWQESA-N 444.644 7.194 10 1 IKCF CC(C)c1cc(/N=N/c2cccc3c2C(c2ccccc2Cl)=N[C@H](C)C(=O)N3)ccc1O 29125518 APBUXXOOBDPMMN-FBFSSQSFSA-N 446.938 6.762 10 1 IKCF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 586882165 KYYMTQRSQMKQPA-UHFFFAOYSA-N 433.511 6.452 10 1 IKCF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)n(-c2ccccc2)c1C 587863209 UVUPKWIMBPAKKU-UHFFFAOYSA-N 439.437 5.674 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc(-c4ncccc4Cl)n3)[nH]c21 587017649 ODVOKDQBMNQKLO-UHFFFAOYSA-N 442.887 5.177 10 1 IKCF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)c21 587030694 JHZDNMKQBZTNQJ-MRXNPFEDSA-N 440.572 6.896 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(O)cc2O)N1 587822810 RIASOGQDSQGZSO-LFVRLGFBSA-N 442.328 5.020 10 1 IKCF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)c21 587030693 JHZDNMKQBZTNQJ-INIZCTEOSA-N 440.572 6.896 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4cncc(-c5cc(Cl)cc(Cl)c5)c4)[nH]c3c2)cc1 587070093 FJXFJCCABWIPFN-UHFFFAOYSA-N 447.325 6.973 10 1 IKCF CCN1CCC[C@H]1CNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 6782025 CEQQLUCEEAWJQQ-VWLOTQADSA-N 427.592 5.237 10 1 IKCF COc1ccc2c(c1)[C@@H](NC(=O)Nc1cccc3[nH]ncc13)CCN2CC1CCCCC1 66078394 XFXAXIXVJKIEKT-QFIPXVFZSA-N 433.556 5.225 10 1 IKCF O=NN1N=C(c2ccccc2O)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 73222414 NIHNDJCKFIZRRV-JOCHJYFZSA-N 427.439 5.217 10 1 IKCF O=C(COc1ccc(Cl)cc1Cl)N=Nc1c(O)[nH]c2ccc(Br)cc12 617960084 UAOPTGRCOGHTBC-UHFFFAOYSA-N 443.084 5.632 10 1 IKCF CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)O 1857615812 JEBQLORHISIOSU-OCEACIFDSA-N 449.463 5.874 10 1 IKCF Cc1c(CN2CCSCC2)cc(-c2ccccc2C(F)(F)F)n1-c1ccc(F)cc1 64454227 FWFRVEGEZMVUBN-UHFFFAOYSA-N 434.502 6.159 10 1 IKCF COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c2c1C[C@@H]1C(C)(C)CCC[C@@]1(C)O2 14825125 DVUORASKJFBCTF-ATIYNZHBSA-N 436.504 5.400 10 1 IKCF biogenic Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)[C@@H]1CC=C[C@H]21 587272577 VPUPCTAHIHQFAC-CRTZDJKQSA-N 425.832 5.168 10 1 IKCF CCCSc1ccc2[nH]c(N3C(=O)/C(=C/c4ccco4)N=C3c3ccccc3)cc2c1 6040771 HMLRKMRSHSEODW-JWGURIENSA-N 427.529 6.098 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H]4CC[C@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 587409783 WPBFBAKHQNCTLI-OAMKJOIQSA-N 449.591 5.072 10 1 IKCF Cc1cc(C)c2[nH]c(O)c(N=NC(=O)/C(=C\c3ccccc3)NC(=O)c3ccccc3)c2c1 617960166 WBRIYBNBOVLFJX-OMMYEQSMSA-N 438.487 5.572 10 1 IKCF O=C(O)c1cccc(N2N=C(c3ccccc3)/C(=C/c3ccc(-c4ccccc4)cc3)C2=O)c1 653836202 BWJHOHOWSONGSI-ITYLOYPMSA-N 444.490 5.886 10 1 IKCF CCN1C(=CC(C)=C[C@@H]2Sc3ccc(Cl)cc3N2CC)Sc2ccc(Cl)cc21 2356849181 PTOMVHFIFKXZFB-NRFANRHFSA-N 449.472 7.671 10 1 IKCF CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NCc1ccccc1O)c1ccccc1 29489221 FDZRPLKYQYKXIG-RUZDIDTESA-N 445.607 6.292 10 1 IKCF COc1cc(O)c([C@@]2(Cc3ccccc3)c3c(F)cccc3C[C@@H]3CCCN32)c(OC)c1 963113354 QXMUWZIJUGLKTM-CCLHPLFOSA-N 433.523 5.055 10 1 IKCF CC[C@@]1(c2ccc(C)cc2O)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963853645 HIEVDRWILUWBFM-BCHFMIIMSA-N 439.552 5.299 10 1 IKCF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587073342 CDUSORDUMGRBLN-UHFFFAOYSA-N 448.909 6.634 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cnn(-c5ccccc5)c4)n3)c2C)c1 587924236 NPKYECYCSHNDCJ-UHFFFAOYSA-N 442.613 6.792 10 1 IKCF Oc1c(Br)cc(Cl)cc1[C@@H]1NC2(CC2)Cc2ccc(Br)cc21 961327184 UEIXJCXSUHEYPW-OAHLLOKOSA-N 443.566 5.338 10 1 IKCF CN(C)c1ccc(/C=C/c2ccc(-c3nc4cc(OCCCF)ccc4s3)cc2)cc1 29129089 YZNWYIXQEFLHQQ-SNAWJCMRSA-N 432.564 6.938 10 1 IKCF NC(=O)N[C@@H](c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(O)ccc2ccccc12 98083981 SLIWXKPZOLACMU-SANMLTNESA-N 434.499 5.156 10 1 IKCF Nc1ccc(CN2C(=O)[C@H](Cc3ccccc3)N=C(C3CCCCC3)c3ccccc32)cc1 66075919 YITZVYDGTVRYOQ-SANMLTNESA-N 437.587 5.796 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2O)N1 587694781 ADESQRUZPWMQCZ-MCMMXHMISA-N 446.747 5.773 10 1 IKCF CC(=O)Oc1ccc(O)c(O)c1C/C=C(/C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 14764756 TVYGOMSIBBSIKO-DCVNSYBLSA-N 440.624 7.711 10 1 IKCF endogenous,in-man COc1cccc(-c2cc(F)cc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)c1 587160573 WVSVNTKOKIJWMA-UHFFFAOYSA-N 448.453 5.820 10 1 IKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 587569311 HLGUIIZSNTWSRM-JYFHCDHNSA-N 429.447 5.642 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c(C)c1 587750869 JZFZAKQUOQCFJM-MYYSRTQBSA-N 441.388 6.236 10 1 IKCF COc1ccc([C@@H]2CC(c3ccc(O)c(C)c3)=NN2C(=S)Nc2ccccc2C)cc1 28653243 UDJBPKLYDWJLQK-QHCPKHFHSA-N 431.561 5.566 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(Oc5ccccc5)ccc4[nH]3)cc2)cc1 587196739 XZUCMUZKKMYHKM-UHFFFAOYSA-N 433.515 7.504 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc5ccccc45)n3)c2C)c1 587924286 QCSOVDGCTIQMEI-UHFFFAOYSA-N 426.610 7.760 10 1 IKCF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cc2c3c(c(=O)oc2c(C)c1O)CCCC3 963228624 MCZKIWGIFVRINK-HPGBDJQBSA-N 431.576 5.606 10 1 IKCF Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 1772581884 ZASYLSYNQNEIKF-BYYHNAKLSA-N 437.463 6.356 10 1 IKCF Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccc(N)cc4)cn(C4CC4)c3c2F)cc(C)n1 25974634 DJZPCGDMHHEQEA-UHFFFAOYSA-N 431.486 5.466 10 1 IKCF CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccccc4Cl)c4ccccc34)[C@@H]21 64448027 AOXYRDCHANSRMV-XMMPIXPASA-N 441.918 5.130 10 1 IKCF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@@H](C)CNCc3c(O)ccc4ccccc34)C[C@@H]1O2 95555638 PMIMUODJLVCWDZ-GIIVHJRKSA-N 431.532 5.177 10 1 IKCF Cn1c2ccccc2c2cc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)ccc21 1857599105 MJYXDIODZFMUJQ-BKUYFWCQSA-N 434.973 6.391 10 1 IKCF O=C(O)[C@@H]1CCc2c(c3cc(OCc4ccccc4)ccc3n2Cc2ccc(F)cc2)C1 1857758992 NRNCRBGWTDMOGI-HXUWFJFHSA-N 429.491 5.597 10 1 IKCF Cc1cc(C(=O)N(C(=O)NC2CCCCC2)C2CCCCC2)c(C)n1-c1ccc(F)cc1 95615553 RLPVOMUFRGFVJT-UHFFFAOYSA-N 439.575 6.050 10 1 IKCF Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)c(/N=N/c2ccc([N+](=O)[O-])cc2)s1 98084853 OOKZDQLKJZHBRQ-CYYJNZCTSA-N 444.476 5.968 10 1 IKCF O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(NCc2cccc(Cl)c2O)cc1 103266580 NJYXWXLBXPBUFY-UHFFFAOYSA-N 438.936 5.612 10 1 IKCF CC(C)(C)OC(=O)N[C@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C1CCCC1 587223404 ABWCQCJVGXZCRC-FQEVSTJZSA-N 445.519 5.094 10 1 IKCF Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2cc(Nc3nccc(-c4cccnc4)n3)ccc21 653838486 ARKIBANBPWEQHQ-LPYMAVHISA-N 444.498 5.267 10 1 IKCF CCO[C@H](Cc1ccc(OCC=C2c3ccccc3CCc3ccccc32)cc1)C(=O)O 1547802 RMWUDDKYAKJOFW-HHHXNRCGSA-N 428.528 5.328 10 1 IKCF O=C(NCc1ccc(N2CCCCCC2)c(C(F)(F)F)c1)Nc1cccc2cnccc12 14973481 WTLWPEYXQUCNTI-UHFFFAOYSA-N 442.485 5.956 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(COc4ccc(Cl)cc4)n3)c2C)c1 587924109 FYNVKRUKJYIDQB-UHFFFAOYSA-N 441.021 7.172 10 1 IKCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(OCc2ccccc2)cc1 1772627944 UEIDVONTNVXHMU-MHZLTWQESA-N 449.510 5.358 10 1 IKCF Nc1ccc(Oc2ccc3nc(Cc4csc(NC(=O)c5cccs5)n4)[nH]c3c2)cc1 587019570 QEIJXYLECCPIPJ-UHFFFAOYSA-N 447.545 5.299 10 1 IKCF O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CCCc1ccc(Cl)c(Cl)c1 587943400 ZKDKEGKEYFHEKR-UHFFFAOYSA-N 436.766 6.765 10 1 IKCF COc1ccc(/C=C2\SC(c3ccc(NC(=O)CCc4ccccc4)cc3)=NC2=O)cc1 84653043 UDFDMIGIVRAPJE-QJOMJCCJSA-N 442.540 5.328 10 1 IKCF CC(C)[C@@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198481 GHBPYQWGDPBUFG-DEOSSOPVSA-N 444.535 5.903 10 1 IKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)OCCO2 587512040 KFUKGEADGJKZAA-VWLOTQADSA-N 429.516 5.451 10 1 IKCF Cc1ccnc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 587575811 GIQMCVJIANXXTB-BVAGGSTKSA-N 426.472 5.206 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C(C)(C)C)cc4)n3)c2C)c1 587924040 AHJXGIOPAPOTIA-UHFFFAOYSA-N 432.658 7.904 10 1 IKCF Cc1ccc(Cn2c3c(c4cc(OCc5ccccc5)ccc42)C[C@@H](C(=O)O)CC3)cc1 1857644876 FXFIJFPNLGETLD-QFIPXVFZSA-N 425.528 5.767 10 1 IKCF CCc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cccc(C(=O)O)c1 40762647 PCBNZFZSTSLOSK-UHFFFAOYSA-N 431.919 6.637 10 1 IKCF CCN(CC)c1ccc(OC)c2nc(-c3c(Cl)cc(COC)cc3OC)c(C)cc12 95579574 HDXQYYYZPINBML-UHFFFAOYSA-N 428.960 5.873 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1C 587575823 GLIHRPAESDOHJZ-NAKRPHOHSA-N 439.511 6.119 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(-c3ccccc3)ccc2O)N1 587823471 UNERLEKALRJUKT-FATZIPQQSA-N 426.329 5.759 10 1 IKCF Oc1ccccc1[C@@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962962648 WKLVMWLFOYMIQY-VWLOTQADSA-N 439.477 5.354 10 1 IKCF CC[n+]1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)n(Cc2ccccc2)c2ccccc21 1920818 PARLMRXDJKEJEV-UHFFFAOYSA-N 434.607 6.322 10 1 IKCF COc1ccc(-c2ccc(C)n2-c2ccc(-c3nc4ccc(OC)cc4s3)cc2)cc1 96933010 MAPAJSGHJZGUAU-UHFFFAOYSA-N 426.541 6.747 10 1 IKCF Cc1ccccc1-n1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587751105 KSPYRNSCJSQOTB-QKFKETGDSA-N 427.361 5.928 10 1 IKCF Oc1ccc2ccc(O)c([C@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)c2c1 962950199 DVTUAMFRLMLTFU-QFIPXVFZSA-N 429.438 5.011 10 1 IKCF CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)C(=S)c2ccccc2N1C 84619808 JPKSDILQFSYDCI-UHFFFAOYSA-N 435.419 5.040 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 587822142 LHUIEAQCQVTMMP-ZAMGYDSWSA-N 440.312 5.397 10 1 IKCF COc1cc2c(cc1Cl)CCN(C/C=C/c1ccc(N(C)C)cc1)C[C@H]2c1ccccc1 1541365 UIOPJHSPYPVYDX-GJTXFRBNSA-N 447.022 6.118 10 1 IKCF Oc1ccccc1CNCCCCCCCCNc1c2c(nc3ccccc13)CCCC2 71295099 RGFFJLGDSFNWLQ-UHFFFAOYSA-N 431.624 6.362 10 1 IKCF COc1cc(O)cc(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)c1 587933321 YHKWJCGJWOMEHG-UHFFFAOYSA-N 446.462 5.387 10 1 IKCF [N-]=[N+]=N[C@H]1Cc2c(-c3ccccc3Cl)cccc2N(c2c(Cl)cccc2Cl)C1=O 43617319 XQUWPYNSULOTBE-SFHVURJKSA-N 443.721 7.214 10 1 IKCF CCN(CC)c1ccc(-c2nc(-c3ccc(N(CC)S(C)(=O)=O)cc3)cs2)cc1 587923556 WPHDUNFCVRDKTO-UHFFFAOYSA-N 429.611 5.109 10 1 IKCF Cc1cc2c(cc1O)[C@H](c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)N[C@H](C(=O)O)C2 963493489 WNZWGUPIOIPKJF-UGKGYDQZSA-N 445.346 5.103 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(C(=O)OC)cc3)c1C)CC2=O 587472115 YITSVBFXQLPLGQ-XMMPIXPASA-N 433.504 5.245 10 1 IKCF COc1ccccc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587575548 FPFGNZPXTYQUAJ-IGKIAQTJSA-N 441.483 5.511 10 1 IKCF NC(=S)n1nc(-c2ccc(C(F)(F)F)cc2)c(/N=N/c2cccc(Cl)c2)c1O 169307449 HPMJXFJHTSRJLI-WCWDXBQESA-N 425.823 5.435 10 1 IKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 587570921 MTNXHWBOZMKVCF-OZXSUGGESA-N 429.447 5.642 10 1 IKCF COc1ccc([C@H]2Sc3ccccc3-n3c(CNc4ccc(F)cc4)ccc32)c(OC)c1 13651973 MHDNFULXWYWLAO-AREMUKBSSA-N 446.547 6.441 10 1 IKCF COc1cc(C/N=N/c2ccc(Cl)c(C(=O)O)c2)ccc1OC(=O)c1ccc(F)cc1 169688324 PCAYLEVLIQTVDX-OCEACIFDSA-N 442.830 5.689 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc21 587031778 AVJBBJTXPDKZJA-UHFFFAOYSA-N 435.508 5.346 10 1 IKCF CC(C)=CCCC(C)=CCc1c(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc(O)c1O 2356463372 YDAGCGVGALMTOH-UHFFFAOYSA-N 438.476 5.223 10 1 IKCF C1=CC=C2NCCCCCCC/N=C3\C=CC=CC=C3NCCCCCCC/N=C/2C=C1 104192728 RUJKWYHYWIPGTB-DFHJQSNHSA-N 432.656 5.982 10 1 IKCF CCCOc1ccc(N2CC[C@@H](Oc3ccc([C@@H](C)C(=O)NCC)cc3)C2)c(Cl)c1 1772606574 QQVAOLGLCLZAST-DYESRHJHSA-N 430.976 5.026 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C(C)(C)C)ccc12 26937949 JMGYHBPKVYWENV-UHFFFAOYSA-N 449.576 5.809 10 1 IKCF Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(Br)c1O 103283651 KCSFRNPOIBUWHU-QURGRASLSA-N 447.314 5.074 10 1 IKCF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1Cl 587702513 ZWLQFDVGMQRZGC-VERVWZFWSA-N 447.779 6.273 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(N=Nc3ccccc3)ccc2O)N1 587743557 WZTVONQIBKRMTG-MCMMXHMISA-N 440.316 6.333 10 1 IKCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccc(Cl)cc2)[nH]n1 100703995 MBRNDPYKDPVJEI-OCOZRVBESA-N 444.676 5.604 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587272478 UIJMOMURQLRBAH-CLUVUEOHSA-N 432.377 5.764 10 1 IKCF Cc1ccccc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587751694 NZMYTOQVZICCMW-LFVRLGFBSA-N 427.361 5.928 10 1 IKCF CC(C)(C)c1cc(O)c([C@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc1Cl 962707805 YKEVRZHPXDCICC-AEFFLSMTSA-N 445.840 5.189 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)c(F)ccc4[nH]3)cc2)cc1 587194849 CEHCDLYTHYSUKL-UHFFFAOYSA-N 438.304 6.613 10 1 IKCF CCOc1cc(N(CC)CC)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587743178 WGUUPAURFCKKLP-RCDICMHDSA-N 435.381 5.457 10 1 IKCF Cc1ccc(O)c(C2=NN[C@@H](c3cn(-c4ccc(F)cc4)nc3-c3sc(C)nc3C)C2)c1 1857556883 PODWZDHYSPHCDJ-OAQYLSRUSA-N 447.539 5.204 10 1 IKCF CCN(CC)c1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 95586349 RUHWKBFHCCZIQF-UHFFFAOYSA-N 440.609 5.640 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@@H]21 587271532 FBOWWYWDBKTXCX-VFVRVIDISA-N 430.386 5.505 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4ccccc4c4ccccc4c3[nH]1)[C@@H]1CC=C[C@@H]21 587276270 JWAPQXYRBROAKL-ZHCYEPILSA-N 446.510 6.912 10 1 IKCF CCc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1Br 586977391 MVYQZFRZFRRWAC-UHFFFAOYSA-N 431.289 5.330 10 1 IKCF Cc1cc(C=O)c(C)n1-c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587104167 DVZJSYJJZDJIAB-UHFFFAOYSA-N 428.491 6.333 10 1 IKCF Cc1cc(OCCn2c(CCC(=O)O)ccc2-c2cccs2)c(C(C)C)cc1Cl 587943053 JXVYHCHDZZEWHJ-UHFFFAOYSA-N 431.985 6.398 10 1 IKCF CCCCS[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C(=O)OC)c2c1cc(C(C)C)c(O)c2O 1857586668 ZGXATVQQSWVMBR-HHJKRLRDSA-N 434.642 6.436 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc4ccccc4c3)c1C)CC2=O 587471820 VRPPZVBKIMTLKF-MHZLTWQESA-N 425.528 6.612 10 1 IKCF Nc1ccc2nc3ccccc3c(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2c1 26843636 DTEZDTFXHDJFPO-UHFFFAOYSA-N 440.528 5.515 10 1 IKCF C[C@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340197 VJAOGQAXOJNHCG-LADGPHEKSA-N 446.438 5.054 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 587709601 BJXXZKUCWLAXQU-MLCYQJTMSA-N 431.271 5.297 10 1 IKCF COc1ccc2cc([C@@H](C)/N=N/c3c(Cl)c(Cl)nc(C(=O)O)c3Cl)ccc2c1 169690386 KXMCLPSQMCQAPW-OVIKDPPSSA-N 438.698 6.747 10 1 IKCF Cc1cccnc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587752841 SZBABLNZVXXZEB-ZSEKCTLFSA-N 428.349 5.323 10 1 IKCF COc1ccc(C)cc1NC(=O)OC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(N(C)C)cc1 40935809 LLKXKYKXJPUWCM-AIZNXBIQSA-N 437.584 5.204 10 1 IKCF Cc1c(O)c(O)cc2c1C(=O)C[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C 142609420 RKKYEEPDFKREFN-XUBKHCKZSA-N 438.608 6.088 10 1 IKCF C[C@H](/N=N/c1nc2ccc(Cl)cc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 169730138 IYLOSNHUEVIRAR-ATUOHFMOSA-N 446.315 7.406 10 1 IKCF CSC(=S)NCc1cc2c([nH]c3ccccc32)c(-c2ccc(C(F)(F)F)cc2)n1 474609691 SNZDNAAPSNBEAU-UHFFFAOYSA-N 431.508 6.139 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Oc4ccccc4)cc3[nH]1)[C@@H]1CC=C[C@H]21 587277238 REOYTROLERXFQP-DFIYOIEZSA-N 438.487 6.398 10 1 IKCF Oc1c(CN2CCCC2)cc(Cn2ccc3cc(Cl)c(Cl)cc32)c2cccnc12 1857640546 OSSYJAWUDSZTKA-UHFFFAOYSA-N 426.347 5.846 10 1 IKCF CC[C@@]1(c2ccc(Br)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587677773 IWPSKGPDRSIDFH-YPMLDQLKSA-N 443.154 5.244 10 1 IKCF CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)n(-c3ccccc3)n2)cc1 101246500 MNBDGCZZJQLNNY-PTZHXCRQSA-N 434.587 6.345 10 1 IKCF CN1CCc2cc(-c3cccc4c3oc3ccccc34)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 40880686 XIJMIVGGWJHATO-HSZRJFAPSA-N 433.507 6.416 10 1 IKCF CN(Cc1ccc(CNc2ccnc3cc(Cl)ccc23)cc1)Cc1ccc(N(C)C)cc1 68201387 YBRHLLPXLSFEMI-UHFFFAOYSA-N 445.010 6.198 10 1 IKCF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587068590 CUNFFSWVVCELAD-ZDUSSCGKSA-N 428.875 5.368 10 1 IKCF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587074029 PTOQIABMCJVPBE-UHFFFAOYSA-N 425.919 7.233 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Oc4ccccc4)cc3[nH]1)[C@H]1CC=C[C@@H]21 587277241 REOYTROLERXFQP-RNHFSVANSA-N 438.487 6.398 10 1 IKCF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 587733282 LFJNCRHLDOLHAH-YTEVENLXSA-N 431.324 5.758 10 1 IKCF COc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3O)n2)cc1 1857584435 LDVODOMCSBPUEX-HSZRJFAPSA-N 427.529 5.880 10 1 IKCF Cc1ccccc1-c1ccc(C(=O)N2N=C(c3cccnc3)C[C@@H]2c2ccccc2O)s1 71340616 YVQIENVMTFVCQN-JOCHJYFZSA-N 439.540 5.816 10 1 IKCF CC(C)(C)c1ccc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c(O)c1 963833580 XJILCUZCECKHOG-AREMUKBSSA-N 426.560 5.985 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2O)N1 587694779 ADESQRUZPWMQCZ-DMZKTXOQSA-N 446.747 5.773 10 1 IKCF CCCCCC[C@@H](O)C/C=C\CCCCCCCc1nc(-c2ccc(O)c(O)c2)n[nH]1 1857745020 PUKWLRWPARAYIZ-ZDKIGPTLSA-N 429.605 6.044 10 1 IKCF CCCCCN(C1=NC(=O)/C(=C/c2ccc(CC)o2)S1)S(=O)(=O)c1ccc(C)cc1 28888586 WUCFSJUOXMKORE-HKWRFOASSA-N 446.594 5.002 10 1 IKCF CC(=O)N1N=C(c2ccc3c(c2O)C=C[C@@](C)(CCC=C(C)C)O3)C[C@@H]1c1cccnc1 169341809 AHZATKWRXLBRCP-ZEQKJWHPSA-N 431.536 5.396 10 1 IKCF O=C(O)c1ccc(N[C@@H](c2ccc(Br)cc2)c2ccc3ccccc3c2O)cc1 653787722 JFERHQFYDYZVIT-QFIPXVFZSA-N 448.316 6.208 10 1 IKCF COc1ccc2c(c1OC)[C@@H](c1cc(C)n(-c3ccc(C)cc3)c1C)NCC21CCOCC1 963195782 WNEZGHBHSKLLQK-AREMUKBSSA-N 446.591 5.161 10 1 IKCF Cc1ccc(Sc2sc(/C=C3\SC(=S)NC3=O)cc2Br)cc1 96174931 VCVGIKQZIRFKKF-GHXNOFRVSA-N 428.423 5.459 10 1 IKCF CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 98081888 ZMDIWHOQYWYTCU-LKYPFNHXSA-N 433.475 5.448 10 1 IKCF O=C1c2ccccc2C(=O)[C@H]2CC3=C(CC4=C(C3)C[C@H]3C(=O)c5ccccc5C(=O)[C@H]3C4)C[C@H]12 504655515 VAYZZDIZEPUMDU-ASDGIDEWSA-N 448.518 5.584 10 1 IKCF biogenic Nc1ccc(Oc2ccc3nc(Cn4c(-c5cscn5)nc5ccccc54)[nH]c3c2)cc1 587029068 GVAHCFZBOSRCJG-UHFFFAOYSA-N 438.516 5.459 10 1 IKCF CC[C@@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587676587 FNLIFZWIVSLKFH-MGNBDDOMSA-N 443.154 5.244 10 1 IKCF Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@@H](c3cccc([N+](=O)[O-])c3)C2)ccc1O 28653307 YUUYJMDTZPPDTG-JOCHJYFZSA-N 446.532 5.465 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2O)N1 587704847 WSFVGFGBWXXMRJ-WHEQGISXSA-N 446.747 5.773 10 1 IKCF CCCCc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(C)s2)c(Br)c1 587937679 SUEXEWIZKWJJNC-UHFFFAOYSA-N 446.410 6.637 10 1 IKCF Cc1ccc(-c2cc3c(n2-c2cc(F)c(Br)cc2F)CC(C)(C)CC3=O)cc1 587944054 XYESRMCSJHXVEX-UHFFFAOYSA-N 444.319 6.649 10 1 IKCF Cc1c(O)c(O)cc2c1C(=O)C[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)C[C@]3(C)CC[C@]12C 40379417 RKKYEEPDFKREFN-UXGSNJJMSA-N 438.608 6.088 10 1 IKCF O=C1N=C(c2ccc(Oc3ccccc3)cc2)S/C1=C\c1ccc(Oc2ccccc2)cc1 84668398 YKWQTLFDMFHKRG-XHPQRKPJSA-N 449.531 7.332 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(C)nc3[nH]1)[C@@H]1CC=C[C@@H]21 587272914 XUSSPLJNTDJJLX-VFVRVIDISA-N 440.301 5.072 10 1 IKCF CN(C)c1ccc(/C=C/[C@@]2(c3ccccc3)NCCc3cccc(-c4ccccc4)c32)cc1 962667321 NOJMQVJBXRLXCB-JWKHNIEYSA-N 430.595 6.522 10 1 IKCF CCCN1[C@H](C)Cc2ccccc2[C@@]12C=C(c1ccccc1)Oc1cc(O)c(OC)c(O)c12 963259036 QSIAGUYUIQOFRA-KWMCUTETSA-N 443.543 5.440 10 1 IKCF COc1ccc(O)c([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587804641 BLTFIJRVNJXDQY-QKFKETGDSA-N 442.328 5.129 10 1 IKCF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@@H]1CC1=NCCc2c1n(C)c1ccccc21 2356720729 IAEJNNUOVAJFBH-MMTVBGGISA-N 448.614 5.961 10 1 IKCF COc1cc(Nc2nccc3c2cc(-c2ccc(N(C)C)cc2)n3C)cc(OC)c1OC 82083620 NRRUXHLEEDKOFG-UHFFFAOYSA-N 432.524 5.076 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)[C@H]1CC=C[C@@H]21 587272579 VPUPCTAHIHQFAC-UFYHVXEKSA-N 425.832 5.168 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCCC3)cc2)N1 587768713 VWYWLVXBHYSPTI-WAIKUNEKSA-N 431.393 5.766 10 1 IKCF COc1ccc(C2=NN[C@@]3(S2)C(=O)N(c2ccc(Cl)cc2)c2ccc(C)cc23)cc1 28824774 IUKWVYJCLDMAOM-QHCPKHFHSA-N 435.936 5.186 10 1 IKCF COc1ccc([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587805421 DVSLWPLYXLOXDR-PSLXWICFSA-N 442.328 5.129 10 1 IKCF Oc1c(-c2nnc(-c3ccccc3)o2)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 98084204 AAAQGLGZNDUBJF-UHFFFAOYSA-N 448.507 6.448 10 1 IKCF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@H]1c1ccc(Br)cc1 103191218 IJMJCBCRKMPZLD-QFIPXVFZSA-N 438.325 5.096 10 1 IKCF O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccoc2)cc1 113626838 SOQMYMUXTCADGN-UHFFFAOYSA-N 438.892 5.027 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(F)c3[nH]1)[C@@H]1CC=C[C@@H]21 587275527 DQRRRJGFSWHMLE-FMTVUPSXSA-N 443.276 5.508 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)c(Br)c2)N1 587676098 FHFDYCAISHSNSX-XTZNXHDOSA-N 442.170 5.040 10 1 IKCF Cc1cccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587751453 MNNNBMMQXCXMKK-PSLXWICFSA-N 427.361 5.928 10 1 IKCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(-c3cccc(F)c3)c(F)c2)cc1 587943711 OOEFTCSUALOWOR-UHFFFAOYSA-N 433.454 6.115 10 1 IKCF CC1CCN([C@@H](c2cccc(Cl)c2)c2c(O)ccc3cc(Br)ccc23)CC1 653726717 ZPHLXHIWKZZTLH-QHCPKHFHSA-N 444.800 6.783 10 1 IKCF CC(C)c1ccc2[nH]c(O)c(N=NC(=O)c3ccc(CSc4nncn4C)cc3)c2c1 253947069 LJOLNCCESFLBQY-UHFFFAOYSA-N 434.525 5.342 10 1 IKCF CC[C@@]1(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC(=O)c2ccccc2C1 587961707 SVEDEZFULDUDOY-NDEPHWFRSA-N 434.495 5.106 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1cccc(O)c1)CCC2(C)C 84687433 RAOUYZFRVPDETA-IBGZPJMESA-N 444.483 5.238 10 1 IKCF COc1cc([C@@H](C)N=N)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1 169713931 QCHCYGLWMQANFY-MRXNPFEDSA-N 440.519 5.716 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)[C@@H]1CC=C[C@H]21 587272587 VROAVIUOHYXHSN-JCGVRSQUSA-N 448.832 6.278 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(Cc3ccccc3)c3ccccc13)CC2=O 587472108 YERAHYXKEHDDIN-AREMUKBSSA-N 425.528 6.363 10 1 IKCF Cc1cc2c(n1-c1cccc(Cl)c1)C[C@H](C)C[C@@]21c2c(F)cccc2C[C@H]2CCCN21 963101989 JUVVGQAZCGRCJK-XADOIVSYSA-N 434.986 6.425 10 1 IKCF COc1ccc([C@H](Nc2cc(C)c(Cl)cn2)c2ccc3cccnc3c2O)cc1OC 203771918 NPDAPYIBNMGBAK-QFIPXVFZSA-N 435.911 5.516 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccccc1F)CCC2(C)C 84703662 MUMFCUHBCQENQU-IBGZPJMESA-N 446.474 5.672 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(N=Nc3ccccc3)ccc2O)N1 587738754 CMPCYIARXZWPJY-WHEQGISXSA-N 440.316 6.333 10 1 IKCF Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])c(C)c3nc2c1 26935449 OWHZRDLAXSBYOS-UHFFFAOYSA-N 436.493 5.028 10 1 IKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 587550979 ZVJDHRJXTHSBHT-BVAGGSTKSA-N 445.902 6.156 10 1 IKCF COc1ccc([C@]2(C)NCCc3cc4cccc(OC)c4nc32)cc1-n1c(C)ccc1C 963056181 LGJVFDBDFYPFFX-MHZLTWQESA-N 427.548 5.069 10 1 IKCF Cc1ccc(C)c2c(N=NC(=O)/C(=C\c3ccccc3)NC(=O)c3ccccc3)c(O)[nH]c12 617960165 VWDVPFBGQCHTLJ-OCOWCJFRSA-N 438.487 5.572 10 1 IKCF Cc1sc2c(c1C)CCN[C@@]2(Cc1ccc(Cl)cc1Cl)c1ccc(O)cc1O 963022569 KAYHIVOQDRIZHW-QFIPXVFZSA-N 434.388 5.715 10 1 IKCF Nc1ccc(Oc2ccc3nc([C@@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3c2)cc1 587150081 KHHDDMSLUMTWPO-VWLOTQADSA-N 443.453 6.384 10 1 IKCF CN(C)[C@H](Cn1c(CCC(=O)O)ccc1-c1cccs1)c1cccc(Br)c1 587939177 IVOFPPRUVFCREW-LJQANCHMSA-N 447.398 5.299 10 1 IKCF CC(C)=CCc1cc(CCC(=O)c2c(O)cc(O)c(CC=C(C)C)c2O)cc(O)c1O 14641671 BXFDBOZJOZAQPB-UHFFFAOYSA-N 426.509 5.048 10 1 IKCF biogenic CCC[C@H](CC)c1c(O)c(O)c([C@H](CC)CCC)c([C@@H](CC)CCC)c1[C@@H](CC)CCC 17249055 MERZOBJQFOCPRA-NEWJYFPISA-N 446.760 10.273 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc5cnccc45)n3)c2C)c1 587924246 OFCDLNGIAHDCTQ-UHFFFAOYSA-N 427.598 7.155 10 1 IKCF CCN1/C(=C/C=C/c2n(CC)c3cc4ccccc4cc3[n+]2CC)Sc2ccccc21 13452957 WJEHQNGOTVJLSE-UHFFFAOYSA-N 426.609 6.609 10 1 IKCF CC(C)=CCc1cc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O)cc(O)c1O 14641711 XFBBCGNJNJKLKS-UHFFFAOYSA-N 438.476 5.005 10 1 IKCF biogenic,in-vitro Cc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587748948 CBSHYRRRIBOEDT-FATZIPQQSA-N 427.361 5.928 10 1 IKCF Cc1ccccc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587751693 NZMYTOQVZICCMW-FATZIPQQSA-N 427.361 5.928 10 1 IKCF CC1=CCC(=C(C)C)[C@@H](c2c3c(cc4c(=O)c5ccc(O)c(O)c5oc24)C=CC(C)(C)O3)C1 1772611083 CECWYTQLOKEPEH-IBGZPJMESA-N 444.527 6.702 10 1 IKCF COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c2c1C[C@@H]1C(C)(C)CCC[C@]1(C)O2 14825123 DVUORASKJFBCTF-GJZUVCINSA-N 436.504 5.400 10 1 IKCF biogenic O=C(Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)Nc1ccc(C(=O)O)cc1 26841144 LIEOYHCBHISIDW-UHFFFAOYSA-N 448.482 6.474 10 1 IKCF COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc(C(C)(C)C)c3)cc2)c1O 103266556 ZRIDQTJOZPFLOM-UHFFFAOYSA-N 440.565 5.111 10 1 IKCF COC(=O)c1ccccc1-n1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587514444 YGPQUKJONAQUKR-RUZDIDTESA-N 429.516 5.466 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 587575198 DJNUVCYXAPJKLV-SQHAQQRYSA-N 425.484 5.811 10 1 IKCF Cc1ccc(-c2cc(C(=O)/N=N/c3c(O)[nH]c4ccc(Br)cc34)[nH]n2)s1 6017008 NPUUVXMJVHFMMC-GHVJWSGMSA-N 430.287 5.320 10 1 IKCF CCN(CC)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 95590487 QSYJQQBEKFPBTF-UHFFFAOYSA-N 440.584 5.371 10 1 IKCF COc1cc(N=Nc2c(O)nc3ccccc3c2O)c(OC)cc1N=Nc1ccccc1 253981543 DHQPPOYLOLLOCW-UHFFFAOYSA-N 429.436 6.494 10 1 IKCF Cc1c(Br)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1C 587078071 GTFGMMDEKNJLJB-MNVSYLFESA-N 428.761 6.422 10 1 IKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cccc(Br)c4)c1C)[C@@H](C2)C3=O 587416885 HJMVWQCVCBJLPJ-CVDCTZTESA-N 438.321 5.354 10 1 IKCF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 587732028 MSIFIWICBVGGPS-IPQOISQHSA-N 431.324 5.758 10 1 IKCF Cc1ccc(-c2ccc(CCC(=O)O)n2CC2CCN(Cc3ccc(F)cc3)CC2)s1 587947060 RELAWSYYXALMEI-UHFFFAOYSA-N 440.584 5.594 10 1 IKCF Cc1ccc(C)c(Cn2c(C)c([C@@H]3c4ccsc4CCN3C(N)=O)c3ccccc32)c1 962710953 SAOPGVMISAQQLW-VWLOTQADSA-N 429.589 5.703 10 1 IKCF C[C@@H]1c2c(Cl)c(O)c(O)c(Cl)c2CCN1C(=S)NCCc1ccc(Cl)cc1 29123281 PJIDRAVOPYFKTG-SNVBAGLBSA-N 445.799 5.094 10 1 IKCF COc1ccc2cc([C@@H](C)c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)ccc2c1 587935295 RXPVLBVFUILQLG-OAHLLOKOSA-N 432.479 5.652 10 1 IKCF CN(C)c1ccc([C@@H]2C3=C(O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 103921512 UEOSUPCCJSVPSX-HHHXNRCGSA-N 437.543 6.223 10 1 IKCF CC(=O)Nc1sc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)c1C(=O)O 587101640 IBVCEEQJBLDULA-UHFFFAOYSA-N 442.496 5.448 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cc5ccccc5oc4=O)n3)c2C)c1 587924481 AGSQARIVPQEAFM-UHFFFAOYSA-N 444.581 6.713 10 1 IKCF Oc1cc2cc(c1O)OC1C=CC(C=C1)CCc1cccc(O)c1Oc1cccc(c1)C=C2 2356810609 AZIYOMYZWLGWRM-UHFFFAOYSA-N 440.495 6.202 10 1 IKCF COP(=O)(Nc1ccc(Nc2c3ccccc3nc3cc(Cl)ccc23)cc1)OC 25999277 UTSLIFPFTFQPJY-UHFFFAOYSA-N 427.828 6.598 10 1 IKCF CN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)SC1=S 28703316 DEJUWKAAKUDTRG-HZHRSRAPSA-N 447.581 5.676 10 1 IKCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1ccc1ccccc12 29468937 JDKZZFGCNPONTR-UHFFFAOYSA-N 442.544 5.698 10 1 IKCF Cc1cc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587679747 SAQRUXIAAJSQNM-XTZNXHDOSA-N 443.154 5.162 10 1 IKCF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cc(Cl)cc(Cl)c1O 95562049 WTDGCYXEYIDSPB-INIZCTEOSA-N 428.113 5.159 10 1 IKCF COc1cccc(-c2ccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c(Cl)c2)c1 587052208 KOPUKCUHBHMZQI-UHFFFAOYSA-N 441.918 6.933 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C 587754651 ZTRSEZKNSABBCV-IZHWHUGBSA-N 441.388 6.236 10 1 IKCF COc1ccc2cc(-c3nc(-c4cc(C)n(-c5ccccc5F)c4C)cs3)ccc2c1 587921840 BYBANADGPIXNHF-UHFFFAOYSA-N 428.532 7.186 10 1 IKCF O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@@H]1c1c(O)cccc1F 71334611 VIRQSHPZGPOTDW-LJQANCHMSA-N 444.491 5.041 10 1 IKCF Cc1cccc(N[C@@H](c2ccc(OC(F)(F)F)cc2)c2ccc3cccnc3c2O)n1 203771328 OGZDISPFPXWYMT-FQEVSTJZSA-N 425.410 5.744 10 1 IKCF Oc1ccc2c(c1)OC(c1ccc(O)c(O)c1)=C[C@@]21NCCc2cccc(-c3ccccc3)c21 962666567 KPRZOBDHDNQARO-GDLZYMKVSA-N 449.506 5.293 10 1 IKCF COc1cc([C@H](C)/N=N/c2nc3ccccc3nc2Cc2ccccc2)cc(OC)c1OC 169727590 CYYRMXGIAYDXCH-SYUBDTENSA-N 442.519 6.091 10 1 IKCF CC(C)=CCc1c(O)c(O)cc2c1O[C@@H](C=C(C)C)c1c-2oc2cc(O)cc(O)c2c1=O 2356418390 HQHRLWSKIQYUES-SFHVURJKSA-N 436.460 5.191 10 1 IKCF O=C(O)CCCCCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 40476731 VOSBIUURNYAPBY-UHFFFAOYSA-N 426.560 7.489 10 1 IKCF CC1CCN(c2ccc([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587769276 ODIQHUBBVDNDRG-MWTRTKDXSA-N 431.393 5.622 10 1 IKCF O=C(C=Cc1ccc(O)c(O)c1)O[C@H](CCCCCCO)CCCCCCCCCO 2356500316 RTCUUMVKHRPOER-QFIPXVFZSA-N 436.589 5.079 10 1 IKCF CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCCCOc2ccccc2)cc1 82151530 COIRPLYNDMZFNN-UHFFFAOYSA-N 443.636 6.675 10 1 IKCF Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587512347 MZNJBTSEIIKABD-VWLOTQADSA-N 429.516 5.686 10 1 IKCF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F 587727631 ORIXYMHZKROUIA-AMXDTQDGSA-N 431.324 5.758 10 1 IKCF CC(C)(Oc1ccc(OCCc2ccc(/N=N/c3ccc(Cl)cc3)cc2)cc1)C(=O)O 1857561885 KQPYHIYYLDSXNW-CYYJNZCTSA-N 438.911 6.619 10 1 IKCF O=C(O)[C@H]1CCc2c(c3cc(OCc4ccccc4)ccc3n2Cc2ccc(Cl)cc2)C1 1857755293 FVSPXEHINBTTHE-FQEVSTJZSA-N 445.946 6.112 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 587823304 TUBOSJMXJYXJFH-ASSNKEHSSA-N 448.420 6.512 10 1 IKCF Oc1cc(O)c([C@@]2(Cc3ccc(Cl)cc3)c3ccc(F)cc3C[C@H]3CCCN32)c(O)c1 963102806 GCICQUGZLABOKB-KBMIEXCESA-N 439.914 5.103 10 1 IKCF CCN1CCN(c2ccc([C@H]3c4ccc(O)cc4CCN3c3ccccc3)cc2)C[C@@H]1C 13607715 CQMHXNWJGFZDKE-KMRXNPHXSA-N 427.592 5.075 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1cc(C)n3-c1cccc(C(F)(F)F)c1)O2 587382057 NASDDZNDOBSQHO-DEOSSOPVSA-N 440.465 5.892 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)[C@@H]1CC=C[C@@H]21 587277305 SLYOJULHLUYWJL-RKPUJPDHSA-N 448.486 5.702 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c(C)c1 587751657 NJESXIAXHUIVPE-OYLFLEFRSA-N 441.388 6.236 10 1 IKCF Nc1ccc(Oc2ccc3nc(/C=C\c4ccc(OCc5ccccc5)cc4)[nH]c3c2)cc1 587783753 GRZJLPXKZBEYDD-IUXPMGMMSA-N 433.511 6.687 10 1 IKCF NCCCCCCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 28640848 UGXOYJKBJSPWIN-UHFFFAOYSA-N 430.592 6.073 10 1 IKCF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586996414 PILQDCDGWGKCHL-UHFFFAOYSA-N 438.325 6.014 10 1 IKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)ccc1Cl 587508855 UJVORPGPWHFDEY-XMMPIXPASA-N 440.370 6.986 10 1 IKCF CC[C@@]1(c2cc(F)ccc2O)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961772159 AFMAQFRLCZHZBE-VWLOTQADSA-N 426.532 5.336 10 1 IKCF CC[n+]1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)n(CCCOC(C)=O)c2ccccc21 1920811 QZZFOXZJYCETTF-UHFFFAOYSA-N 444.599 5.227 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)c(Br)cnc3[nH]1)[C@H]1CC=C[C@H]21 587271272 ADGOOBSSOAOHJE-LXIYXOSZSA-N 440.301 5.072 10 1 IKCF CCCc1c(O)ccc2c1O[C@]1(C=C(c3ccccc3)Oc3c1ccc(O)c3O)CC2=O 587493237 UEPORKZLHRRNGV-SANMLTNESA-N 430.456 5.050 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(C(C)(C)C(=O)OC(C)(C)C)n3)c2C)c1 587924082 CSWVSTKLINBECZ-UHFFFAOYSA-N 442.650 6.559 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)Nc4ccccc4)n3)c2C)c1 587924163 JHHUOYNZASBDRU-UHFFFAOYSA-N 433.602 6.121 10 1 IKCF Cc1cc(C)c(-c2csc(NC(=O)/C=C/c3ccc(N4CCOCC4)cc3)n2)c(C)c1 653784987 OQPKOQOGAAKPFG-RMKNXTFCSA-N 433.577 5.224 10 1 IKCF CCN1/C(=C/C=C/c2n(CC)c3nc4ccccc4nc3[n+]2CC)C(C)(C)c2ccccc21 13822035 QBYCEIPTXZPIAA-UHFFFAOYSA-N 438.599 5.627 10 1 IKCF Cc1cc2ccccn2c1C(=O)c1ccc(/N=N/[CH-]c2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1 169692272 XTXWJUSLHVVDPN-OCEACIFDSA-N 441.423 5.379 10 1 IKCF Cc1cc(Br)cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587678170 JRQKRQYVCKLITQ-YPMLDQLKSA-N 443.154 5.162 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C 587754654 ZTRSEZKNSABBCV-OYLFLEFRSA-N 441.388 6.236 10 1 IKCF CCN1CCN(c2ccc(Nc3c4ccc(Cl)cc4nc4ccc(OC)cc34)cc2)CC1 95572944 MNYIOGRNTCTHGP-UHFFFAOYSA-N 446.982 5.936 10 1 IKCF O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 113623602 MDWXGFJYTNOARG-UHFFFAOYSA-N 448.931 5.434 10 1 IKCF Oc1ccc(CCNCCCCCCNCCc2ccc(Cl)c3ccccc23)cc1O 45227764 FWCUGYFCMWZQSZ-UHFFFAOYSA-N 441.015 5.429 10 1 IKCF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1F 587725152 NWNVZMXRFUDKST-KPWVOAKYSA-N 449.314 5.898 10 1 IKCF CC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)c3ccc(CSc4nncn4C)cc3)c2c1 101551005 LJOLNCCESFLBQY-OCEACIFDSA-N 434.525 5.342 10 1 IKCF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(Br)c2[N+](=O)[O-])s1 587936138 FXCIUWGIRIBBGQ-UHFFFAOYSA-N 435.299 5.202 10 1 IKCF CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccncc2)c1O 28016678 CJKXDGCPVANNQD-UHFFFAOYSA-N 448.954 5.480 10 1 IKCF Oc1cc(OCc2ccccc2)ccc1[C@H]1NC2(CC2)Cc2ccc(Br)cc21 961325813 PZNLJBAOOBCDBW-HSZRJFAPSA-N 436.349 5.501 10 1 IKCF CCN1/C(=C/C=C/c2n(CC)c3cc4ccccc4cc3[n+]2CC)C(C)(C)c2ccccc21 13452965 BVLCWFUNYHWYGG-UHFFFAOYSA-N 436.623 6.837 10 1 IKCF Cc1cccnc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587752838 SZBABLNZVXXZEB-ASSNKEHSSA-N 428.349 5.323 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc21 587083731 IKRMRHYTKRTURF-UHFFFAOYSA-N 435.870 5.721 10 1 IKCF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1Cl 587702510 ZWLQFDVGMQRZGC-IPQOISQHSA-N 447.779 6.273 10 1 IKCF O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587945873 RZBAPWSIMDDELB-UHFFFAOYSA-N 447.531 6.643 10 1 IKCF COC(=O)[C@@H](C)c1ccc(-c2ccc(NCc3cccc(CN(C)C)c3O)cc2)c(F)c1 1911572190 PYSAPRKFGBURPZ-KRWDZBQOSA-N 436.527 5.149 10 1 IKCF COc1ccc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)o2)cc1 71281707 YFYWFDSIULCLPD-QFIPXVFZSA-N 439.471 5.047 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1cccc(O)c1)CCC2(C)C 84688043 NMKSUIQWGPATJR-SFHVURJKSA-N 430.456 5.309 10 1 IKCF COc1ccc2c(c1OC)[C@H](c1cc(C)n(-c3ccc(F)c(F)c3F)c1C)N(C)[C@H](C)C2 962575200 VTELWIUIVDIYMV-OZAJXLCCSA-N 444.497 5.494 10 1 IKCF CN(CC(=O)N[C@@H](c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O)c1ccccc1 40897633 SCNAWHFIKKBCAN-QHCPKHFHSA-N 449.913 5.075 10 1 IKCF C[C@H](NC(=O)c1cncs1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149937630 LERQWYLGGDXDKI-KRWDZBQOSA-N 433.577 5.027 10 1 IKCF Cc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)n1-c1ccc(C(=O)O)cc1 587105185 RNYAVGLNZNXUQH-UHFFFAOYSA-N 444.490 6.219 10 1 IKCF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1cc2c3c(c(=O)oc2c(C)c1O)CCCC3 963228627 MCZKIWGIFVRINK-JYRCXFKTSA-N 431.576 5.606 10 1 IKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(-c5ccc(Cl)cc5)nc4O)nc3c2)cc1 587076591 KTUYXOZNCVGYCU-UHFFFAOYSA-N 428.879 6.025 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)cc3[nH]1)[C@H]1CC=C[C@@H]21 587273027 YYYTYPKXPOBVNI-TYILLQQXSA-N 425.286 5.369 10 1 IKCF Cc1cc(-c2csc(-c3ccc(SC(C)(C)C)cc3)n2)c(C)n1-c1ccccc1F 587922157 KSHLNPKEDQTSPN-UHFFFAOYSA-N 436.621 7.914 10 1 IKCF Cc1cc(-c2csc(COc3ccc(Cl)cc3Cl)n2)c(C)n1-c1ccccc1F 587922593 QYTFTQKARNMRQR-UHFFFAOYSA-N 447.362 7.243 10 1 IKCF Cc1ccc(C)n1-c1ccc([C@@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962663152 JIMIHTMGAOLOIQ-WUFINQPMSA-N 439.559 5.004 10 1 IKCF Oc1ccc2c(c1)CCN(c1ccccc1)[C@H]2c1ccc(N2CCN3CCCC[C@@H]3C2)cc1 11688978 ZGHFWBDHZZKWSI-UHSQPCAPSA-N 439.603 5.219 10 1 IKCF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)cc1/C=C/c1ccc(O)c(O)c1CC=C(C)C 14638094 LZRXMBPDNILKDO-ZVBRSKEYSA-N 448.603 7.423 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc4ccc(Br)cn4c3)[nH]c21 587005939 AOPCONLYDHKPGE-UHFFFAOYSA-N 442.272 5.021 10 1 IKCF COc1ccc(-c2ccc(O)c([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 587804323 AVGVZTNHXGGMPN-NPMABZOXSA-N 442.328 5.593 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Cl)cc2O)N1 587697817 PCNUTELCAGERFT-XMHCIUCPSA-N 446.747 5.773 10 1 IKCF Oc1c(OC(F)(F)F)cc(Br)cc1[C@@H]1c2ccc(F)cc2C[C@H]2CCCN12 963092531 BAQFCDVLTVJQQB-DYVFJYSZSA-N 446.238 5.302 10 1 IKCF O=S(=O)(Nc1cnc2ccccc2c1)c1ccc(NCc2cccc(Cl)c2O)cc1 103268204 FVXPDIRXYCAXCF-UHFFFAOYSA-N 439.924 5.007 10 1 IKCF O=C1C(=Cc2ccc(O)cc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 653777783 CTMSPXUZGNMDNG-UHFFFAOYSA-N 425.271 5.077 10 1 IKCF Cc1cc2c(NC(=O)NCc3ccc(N4Cc5ccccc5C4)c(F)c3)cccc2cn1 14973498 VUZBHKUPTNGAHW-UHFFFAOYSA-N 426.495 5.524 10 1 IKCF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@@H](c3c(Cl)cccc3Cl)C2)ccc1O 35013088 ZOVRKSCTTOMYFR-LJQANCHMSA-N 426.303 5.394 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)ccc2O)N1 587735576 XWDSFUBIAGJCNL-MCMMXHMISA-N 430.292 5.259 10 1 IKCF CN(C)c1ccc(-c2cc3c[nH]c(=Nc4cccc(Oc5ccccc5)c4)cc3n2C)cc1 1857583661 SSKYWIRODZQNSI-UHFFFAOYSA-N 434.543 6.264 10 1 IKCF Nc1ccc(OCCCN2CCC(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 13824972 LFEIQSMJVGSIIG-UHFFFAOYSA-N 436.546 5.860 10 1 IKCF CCCCCCN(C)c1ccc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc1 26580044 YSRCDJHAIFTVJC-UHFFFAOYSA-N 448.010 7.810 10 1 IKCF CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1 95588722 AMOGWGAQMCOLMW-UHFFFAOYSA-N 426.557 5.063 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)cc2Cl)N1 587694587 MHSLVGYSEXTNKC-LRTDBIEQSA-N 437.784 5.856 10 1 IKCF Cc1nnc(N2CCCC2)c(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c1C 587922807 WWVSRRSAHAHPIS-UHFFFAOYSA-N 447.583 6.031 10 1 IKCF Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)c(/N=N/c2cccc([N+](=O)[O-])c2)s1 98084854 URJIPUHVTRPGNO-CYYJNZCTSA-N 444.476 5.968 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)CC2=O 587463281 VEPWMJFFQQDSBQ-QHCPKHFHSA-N 444.358 6.766 10 1 IKCF CCOc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587763839 AGWMMTKJCNUDOB-JLCFBVMHSA-N 433.365 5.211 10 1 IKCF O=C(c1ccccc1-c1ccc(F)cc1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71296149 AIHWPPDVXDZNAQ-RUZDIDTESA-N 437.474 5.585 10 1 IKCF COc1cc(Br)c(CCNc2c3ccccc3nc3ccccc23)cc1OC 169304034 MXXFZEURNJCFOV-UHFFFAOYSA-N 437.337 5.822 10 1 IKCF Nc1ccc(Oc2ccc3nc(Cc4ccc(-c5ccccc5Cl)cc4)[nH]c3c2)cc1 587063339 TZKCWQKYZVUWQD-UHFFFAOYSA-N 425.919 6.849 10 1 IKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cc(/C=C/c2cc(O)cc(O)c2)cc(O)c1O 207010982 GURMLGZVJSKJFW-OKGMQGNASA-N 448.603 7.641 10 1 IKCF Oc1ccc(OC(F)(F)F)cc1[C@@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962642959 VQNMEUCMWWHTRN-CYFREDJKSA-N 440.465 5.127 10 1 IKCF Cc1nc(-c2ccccc2)sc1Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587011067 FWEANVPPJCKAKQ-UHFFFAOYSA-N 435.508 5.361 10 1 IKCF Cc1cc(-c2csc(C[C@@H](C)n3ccc(C(F)(F)F)n3)n2)c(C)n1-c1ccccc1F 587922655 RVWKADVODKLEMU-CYBMUJFWSA-N 448.489 6.376 10 1 IKCF CC(C)c1cc2c(c(O)c1O)[C@@]13CCCC(C)(C)[C@@H]1[C@H](OC3=O)[C@@H]2OCc1ccccc1 49785508 IJWMBORSRYALGH-INADMSBESA-N 436.548 5.482 10 1 IKCF Nc1ccc(Oc2ccc3nc([C@H](Oc4ccc(F)c(F)c4)c4ccccc4)[nH]c3c2)cc1 587150075 KHHDDMSLUMTWPO-RUZDIDTESA-N 443.453 6.384 10 1 IKCF COC(=O)c1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 587924301 QLAPFSLZKMHDOW-UHFFFAOYSA-N 434.586 6.393 10 1 IKCF O=C(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1c(Cl)cccc1Cl 28766160 QSSHVCQPNAVJDN-UHFFFAOYSA-N 448.394 5.143 10 1 IKCF O[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCc2cc(OCc3ccccc3)ccc21 64559501 UQNIKTWWOSENPX-GDLZYMKVSA-N 442.603 5.348 10 1 IKCF CC[C@@]12C=Cc3c(O)c(O)cc4c3[C@@]1(CCC2)CC(c1cc(O)c(O)c2c(O)cccc12)=C4 85569194 XPXWPLUTGTUOBV-VSGBNLITSA-N 442.511 6.157 10 1 IKCF biogenic,in-vitro CCOc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1 96285586 FTEKPBHSOOUJIW-UHFFFAOYSA-N 429.564 5.299 10 1 IKCF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2C[C@H]3CCCC[C@H]3C2)cc1 169332688 CAQFTFMMBYLMRM-KDURUIRLSA-N 436.987 5.107 10 1 IKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2cc1Br 587271283 AFZGVYVYMCLXJE-LAPQFRIASA-N 439.313 5.677 10 1 IKCF Oc1cc(OCc2ccccc2)ccc1[C@@H]1NC2(CC2)Cc2ccc(Br)cc21 961325817 PZNLJBAOOBCDBW-QHCPKHFHSA-N 436.349 5.501 10 1 IKCF Cc1ccc(O)c(C2=NN[C@H](c3cn(-c4ccc(F)cc4)nc3-c3sc(C)nc3C)C2)c1 1857556882 PODWZDHYSPHCDJ-NRFANRHFSA-N 447.539 5.204 10 1 IKCF O=C1CS[C@@H](c2ccccc2O)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 5922241 BACFPTPXYBNCNG-NRFANRHFSA-N 432.328 6.270 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1C 587575818 GLIHRPAESDOHJZ-LBNVMWSVSA-N 439.511 6.119 10 1 IKCF C[C@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340196 VJAOGQAXOJNHCG-ISKFKSNPSA-N 446.438 5.054 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cccc(C(=O)OC)c3)c1C)CC2=O 587471751 UAHQWPVKYONBIW-DEOSSOPVSA-N 433.504 5.245 10 1 IKCF O=C(O)c1ccc(/C=C2\SC(=S)N(Cc3ccc(-c4ccccc4)cc3)C2=O)cc1 1911583818 BWXZVJUHDMMPHO-STZFKDTASA-N 431.538 5.453 10 1 IKCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)Cc4cccnc4)cc3)C2)cc1 96172995 WUHCGLDIPBQIES-HXUWFJFHSA-N 430.548 5.053 10 1 IKCF CC1(C)CCC[C@@]2(C)[C@@H]3Cc4c(c(O)c(O)c5nc(C(=O)O)ccc45)O[C@@]3(C)CC[C@H]12 2356813504 CHLKINYAFCYULV-USAPXKEJSA-N 425.525 5.280 10 1 IKCF CC(C)(C)CCOC(=O)N1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccc(O)cc2)C1 45191800 LDKMCSWVHZOYJI-GOSISDBHSA-N 433.932 5.020 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)Nc4cccc(C)c4)n3)c2C)c1 587924397 WMWWDOSHYGXNNN-UHFFFAOYSA-N 447.629 6.429 10 1 IKCF O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587943501 FRHSJCOWANSGNP-UHFFFAOYSA-N 437.873 6.760 10 1 IKCF O=C1C(CCCc2ccccc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 28475782 LPWWRCVFAFGKLI-UHFFFAOYSA-N 439.342 5.927 10 1 IKCF CCCc1ccc(-n2c(-c3ccc(Cl)cc3)cc(CN3CCSCC3)c2C)cc1 40421220 NENMWZCPQRCKPZ-UHFFFAOYSA-N 425.041 6.607 10 1 IKCF Cc1ccc([C@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507946 DNOWAUYGQAIEJO-SANMLTNESA-N 445.471 5.102 10 1 IKCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(-c3cccc(OC)c3)c2)cc1 587925384 HAJIFDGIAJKBMP-UHFFFAOYSA-N 427.500 5.846 10 1 IKCF COc1cc(F)ccc1-c1cccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587159159 KSTJSUMFPCFCGE-UHFFFAOYSA-N 439.490 6.343 10 1 IKCF Nc1ccc(Oc2ccc3nc(CCCCCCCCCCCCC(=O)O)[nH]c3c2)cc1 587957396 KVZWCPIZTVDURY-UHFFFAOYSA-N 437.584 6.856 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 587726173 VRKYAEHJOPBTHD-RCDICMHDSA-N 435.356 5.515 10 1 IKCF FC(F)(F)c1cccc2c1[C@@H](c1ccc(N3CCCCCC3)cc1)NCC21CCOCC1 962963911 XHPADVLQNAVNDR-XMMPIXPASA-N 444.541 5.827 10 1 IKCF O=S(=O)(Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)Nc1ccccn1 26841748 XYADFDBJIZKXBS-UHFFFAOYSA-N 440.528 5.469 10 1 IKCF CC1=CCCC(C)(C)[C@H]1Cc1c(O)c(O)cc2oc3c(=O)c4c(O)cc(O)cc4oc3c12 43078790 LONDNVXJGNYQEO-AWEZNQCLSA-N 436.460 5.440 10 1 IKCF biogenic Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccc(F)cc1)CCC2(C)C 84703838 FSGHGOKQADDSRN-LJQANCHMSA-N 446.474 5.672 10 1 IKCF Cc1onc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)c1COc1ccccc1Cl 587063865 ZYOWQOISXMAWGH-UHFFFAOYSA-N 446.894 6.133 10 1 IKCF COc1cccc(C(=O)O[C@@H]2CCC(C)(C)c3ccc4c(c32)C(=O)C(=O)c2c(C)coc2-4)c1 84688344 QAXXYUBBUAXYON-LJQANCHMSA-N 444.483 5.612 10 1 IKCF COc1ccc(N2CN3C(=C(O)[C@H]2c2cccc(-c4ccccn4)c2)Nc2ccccc23)cc1 169331813 SSQIVYGVXABMGJ-AREMUKBSSA-N 448.526 5.935 10 1 IKCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(N=Nc2ccccc2)ccc1O 587571938 NCMQVCLHJIEHOQ-JYFHCDHNSA-N 438.439 6.216 10 1 IKCF CC(C)c1ccc(/C=C/C(=O)NCCCCNc2c3ccccc3nc3ccccc23)cc1 95583006 JXRLOUZRBLLNSY-OBGWFSINSA-N 437.587 6.533 10 1 IKCF COc1cccc(-c2csc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccccc3O)n2)c1 1857569727 AJOKYPUUKHXYKB-HSZRJFAPSA-N 445.519 6.019 10 1 IKCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(Cc4cc(C)ccc4C)c4ccccc14)[C@@H](C2)C3=O 587431674 PZPUARBQXCVDRA-MUAVYFROSA-N 437.539 6.112 10 1 IKCF Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)cc12 587653561 YMQFOZZXOVQFKE-UHFFFAOYSA-N 441.918 5.358 10 1 IKCF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(OC(C)C)c(Cl)cc2Cl)s1 587942790 AKWHMMLJEQQGAL-UHFFFAOYSA-N 438.376 6.625 10 1 IKCF C[C@@]1(c2cc(Br)c(F)cc2O)c2ccsc2CCN1Cc1cccnc1 962999515 SBUFTTWNTQVZHY-FQEVSTJZSA-N 433.346 5.072 10 1 IKCF CC(=O)Oc1ccc(O)c(O)c1CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 169371189 QUMFQHZIHBPZFC-VABKMULXSA-N 448.688 8.031 10 1 IKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F 587569661 SABHXRIJBDKCLL-OZXSUGGESA-N 429.447 5.642 10 1 IKCF Cc1cc([C@H](NC(=O)COc2ccccc2)c2ccccc2Cl)c(O)c2ncccc12 40918417 ZFPLFDYMSDERSK-HSZRJFAPSA-N 432.907 5.187 10 1 IKCF COc1cc(/C=C/c2ccc(NCc3cc(NCC(C)C)ccc3O)cc2)cc(OC)c1 96928154 XHUYTOZEVSPCJI-AATRIKPKSA-N 432.564 6.260 10 1 IKCF CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccc(Cl)cc3)cc2)cc1)C(=O)O 1857570434 DDPKNKQENKAOOH-CYYJNZCTSA-N 438.911 6.619 10 1 IKCF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1cc(C)n(-c2ccccc2)c1C 587868189 HSGDRSMYDLVZHX-UHFFFAOYSA-N 440.425 5.069 10 1 IKCF COCCCN1CCc2ccc(OC)cc2[C@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 961326802 RVTUNOSDGOPRCB-HHHXNRCGSA-N 434.580 5.095 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(OCc5ccccc5)cccc4[nH]3)cc2)cc1 587196288 RZVZRDGAFAJGPH-UHFFFAOYSA-N 447.542 7.290 10 1 IKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccccc4Br)c1C)[C@@H](C2)C3=O 587414768 XHKALGLQMBUDFG-SBUREZEXSA-N 438.321 5.354 10 1 IKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 587507421 PZIABMMVRMKLIS-DEOSSOPVSA-N 437.486 6.281 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c21 587783102 WZJOJBIMVCNZBH-UHFFFAOYSA-N 446.462 5.290 10 1 IKCF COc1cccc(C(=O)c2ccc(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)cc2)c1 587930477 CRUUQRAQAROVDI-UHFFFAOYSA-N 435.483 5.844 10 1 IKCF Cc1c([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccccc2n1CCF 962962613 SSPWODBUHDBONC-QHCPKHFHSA-N 446.488 5.679 10 1 IKCF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CNCc4ccccc4O)C=C3C)[nH]c2c1 2356286719 NEKFVUNFQVQGOG-QZNHQXDQSA-N 433.596 5.464 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc5nc6ccccc6nc5cc4[nH]3)cc2)cc1 587195772 MOKCWAYVADJOPE-UHFFFAOYSA-N 443.514 6.808 10 1 IKCF CC1=CCC(=C(C)C)[C@H](c2c3c(cc4c(=O)c5ccc(O)c(O)c5oc24)C=CC(C)(C)O3)C1 1772611086 CECWYTQLOKEPEH-LJQANCHMSA-N 444.527 6.702 10 1 IKCF Cc1ccc([C@H](Nc2nc3ccc(Cl)cc3s2)c2c(O)ccc3ccccc23)cc1 169351602 UQOUDHKTZBZCAQ-DEOSSOPVSA-N 430.960 7.318 10 1 IKCF O=C(CCSC(=S)NCc1cccnc1)c1c[nH]c2nccc(-c3ccccc3)c12 1857588515 DSQMQBUXWUWFDE-UHFFFAOYSA-N 432.574 5.006 10 1 IKCF C[C@H](CCC(=O)NC1CC1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@@]21C 118921356 AJTPMLGFAMQOTC-KQOPCUSDSA-N 440.676 7.019 10 1 IKCF CC[C@H](C)CCCCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O 64491739 ZUMMJNOHRJORPD-DEOSSOPVSA-N 448.688 8.542 10 1 IKCF biogenic O=C1c2ccc(OCc3ccccc3)cc2-c2nnc(-c3cccc(C(F)(F)F)c3)cc21 73162638 COTAKUGSHRAJKG-UHFFFAOYSA-N 432.401 5.953 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1cccc(F)c1)CCC2(C)C 84703831 PBQAPBOBOFQEOK-LJQANCHMSA-N 446.474 5.672 10 1 IKCF COC(=O)c1ccc(-n2c(C)cc([C@@H]3NCCc4cc(-c5ccccc5)ccc43)c2C)cc1 962668682 QHKHJMMZBYWMDR-MUUNZHRXSA-N 436.555 5.783 10 1 IKCF CCN1CCN(c2cc(Nc3ccccc3F)c3c4c(onc24)-c2ccccc2C3=O)CC1 1772616581 XCFWPWHHWVLSFV-UHFFFAOYSA-N 442.494 5.064 10 1 IKCF C[C@@H]1N=C(c2ccccc2Cl)c2c(/N=N/c3c(F)cc(O)cc3F)cccc2NC1=O 29125480 STFRBXFBDMXLPE-LGWXLZMOSA-N 440.837 5.917 10 1 IKCF COc1cccc(CNCCCNc2ccnc3cc(Oc4ccc(F)cc4)ccc23)c1O 72124667 HBFIUWDMPJUYSQ-UHFFFAOYSA-N 447.510 5.472 10 1 IKCF CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N\c1ccc2ccccc2c1 102535979 MIHJSQVERHGULI-RIACQAHJSA-N 425.517 6.147 10 1 IKCF CC(=O)Oc1cc(O)c(O)cc1CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356711576 GHCBDDDCJDLBPE-UHFFFAOYSA-N 440.624 7.711 10 1 IKCF Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc(C)c1O 103283672 JOBJAZOZNJODIF-OCEACIFDSA-N 449.454 6.244 10 1 IKCF COc1ccc2c(c1)/C(=C\c1c(Cl)n(C/C=C/c3ccccc3)c3ccccc13)C(=O)N2 169310834 FTBBNDWQOGZNTE-JJDBKLRKSA-N 440.930 6.509 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(C(=O)OCC)cc3)c1C)CC2=O 587471195 OSGXMAXPNFCNBO-RUZDIDTESA-N 447.531 5.635 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)cc2Cl)N1 587696112 PJSMVMNDRVOYFJ-YEJXKQKISA-N 437.784 5.856 10 1 IKCF CC(C)(C)C(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O 169323248 DCXNWOCPYZWNRL-UHFFFAOYSA-N 447.560 5.470 10 1 IKCF Cc1ccc([C@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2cccs2)cc1 299840879 ZXEXMIKIIKYQLO-GOSISDBHSA-N 441.350 5.516 10 1 IKCF Cc1cc(Br)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1F 587138188 ZNRZXSQHOMHOII-UHFFFAOYSA-N 435.252 5.215 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 587819151 GWMQFXSAYVSILM-MYODQAERSA-N 444.344 5.059 10 1 IKCF COC(=O)c1ccc(-n2c(C)cc([C@@H]3NCCc4cccc(-c5ccccc5)c43)c2C)cc1 962667343 NVWYQMNCPPQOAG-NDEPHWFRSA-N 436.555 5.783 10 1 IKCF COc1ccc([C@H]2CC(c3ccc(O)c(C)c3)=NN2C(=S)Nc2ccccc2C)cc1 28653246 UDJBPKLYDWJLQK-HSZRJFAPSA-N 431.561 5.566 10 1 IKCF COc1ccc2nc3cc(Cl)ccc3c(NC3CCN(Cc4ccccc4)CC3)c2c1 40893879 JWWJOGIERUQUQJ-UHFFFAOYSA-N 431.967 6.127 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(C)cc2nc2c(C)c(C)ccc12 26847645 XJQWVFALGRAHPK-UHFFFAOYSA-N 435.549 5.437 10 1 IKCF CC[C@]1(c2ccc(Cl)c(Cl)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587691232 ACDCGFWNFMLRKK-NIVTXAMTSA-N 433.148 5.788 10 1 IKCF Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)cc1C(=O)O 45299820 SNZGSWWQZOQERB-STZFKDTASA-N 449.553 5.397 10 1 IKCF COc1ccc([C@H](Nc2nc3ccccc3s2)c2c(O)ccc3ccccc23)cc1OC 169351664 AZBMRFHVHXDFEH-VWLOTQADSA-N 442.540 6.374 10 1 IKCF COc1cc(C/N=N/c2ccc(Cl)c(C(=O)O)c2)ccc1OC(=O)c1cccs1 169688318 DFUYMHDBIYUFMA-GHVJWSGMSA-N 430.869 5.611 10 1 IKCF Cc1c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074042 PIULGLHRWXZVIE-UHFFFAOYSA-N 430.899 5.206 10 1 IKCF Cc1ccccc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587578165 QKVZMWREQDUBER-SQHAQQRYSA-N 425.484 5.811 10 1 IKCF O=C1/C(=C/c2ccccc2)SC(=S)N1CCNc1ccnc2cc(Cl)ccc12 95587365 GXEHYJCIZIPHSY-UNOMPAQXSA-N 425.966 5.202 10 1 IKCF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587114234 RKPRUFIIIURNSO-ZDUSSCGKSA-N 434.417 5.703 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4cccc(Oc5ccc([N+](=O)[O-])cc5)c4)[nH]c3c2)cc1 587271557 FOPSCBIFAONSOP-UHFFFAOYSA-N 438.443 6.305 10 1 IKCF Cc1ccccc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587578162 QKVZMWREQDUBER-IGKIAQTJSA-N 425.484 5.811 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Cl)cc2O)N1 587697815 PCNUTELCAGERFT-WHEQGISXSA-N 446.747 5.773 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(N=Nc3ccccc3)ccc2O)N1 587738752 CMPCYIARXZWPJY-MCMMXHMISA-N 440.316 6.333 10 1 IKCF C[C@H](NC(=O)C1(C)CC1)c1ccc(O[C@@H]2CCN(c3ccc(OCC4CC4)cc3)C2)cc1 1772634244 ZWPPQYZZRBCKFQ-UQBPGWFLSA-N 434.580 5.110 10 1 IKCF Cc1c(C)n(Cc2cccc(C(F)(F)F)c2)c2ccc(C(=O)NCc3ccccn3)cc12 1857575725 UHXPWBLZBYOPFU-UHFFFAOYSA-N 437.465 5.650 10 1 IKCF CCOc1ccc(-c2nn(-c3ccc(Cl)cc3)cc2/C=C2/SC(=S)NC2=O)cc1 1857643597 UMQRKAGOASZINY-WOJGMQOQSA-N 441.965 5.080 10 1 IKCF COc1c(C)cc2c(c1O)C(=O)N(c1ccccc1)[C@H]2c1c(O)ccc2c1OC(C)(C)C=C2 2356838511 MAPMWKAHOFUWRT-JOCHJYFZSA-N 443.499 5.349 10 1 IKCF C[C@H]1CC/C(=C\c2ccc(N(C)C)cc2)C2=C1[C@H](c1ccc(N(C)C)cc1)NC(=S)N2 5581495 QVQJIPZPBHGBJF-GRSBAYMPSA-N 432.637 5.105 10 1 IKCF CN(C)c1ccc(/C=C/c2cc(Br)cc(/C=C/c3ccc(N(C)C)cc3)c2)cc1 28949051 QCMXWMBMGGNOCX-KQQUZDAGSA-N 447.420 6.922 10 1 IKCF O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccco2)cc1 113627702 RVRRLRFQJJZNPP-UHFFFAOYSA-N 438.892 5.027 10 1 IKCF CC(C)(C)c1ccc(O)c([C@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962952393 HLMJEYYRCIMEEG-HSZRJFAPSA-N 433.514 5.623 10 1 IKCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccc(F)cc2)[nH]n1 103965948 QPBKBQPYOYVTBU-OCOZRVBESA-N 428.221 5.089 10 1 IKCF COc1cc(C/N=N/c2nc(O)c(CC(=O)O)s2)ccc1OCc1ccc(Cl)cc1 169692239 BYFNXAHWAQTMFW-ZNTNEXAZSA-N 447.900 5.001 10 1 IKCF Cc1cc2c(n1-c1cccc(Cl)c1)C[C@@H](C)C[C@]21NCCc2ccc(C(=O)N(C)C)cc21 962930848 MRLWQYHVMQZNTE-XGCWNURASA-N 448.010 5.113 10 1 IKCF O=C(O)[C@H]1CCCN(CCC/C=C/c2ccc(/N=N/c3cccc4ccccc34)cc2)C1 1857631735 NGTAWFALOMYQOB-SNAXFKSOSA-N 427.548 6.845 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 587823308 TUBOSJMXJYXJFH-YEJXKQKISA-N 448.420 6.512 10 1 IKCF COc1ccccc1Oc1c(Cl)cccc1-n1c(CCC(=O)O)ccc1-c1ccccc1 587941485 PGZKYVJSECCIRV-UHFFFAOYSA-N 447.918 6.616 10 1 IKCF CC(=O)N[C@@H](NC(=S)Nc1ccc(/N=N\c2ccccc2)cc1)C(Cl)(Cl)Cl 103641411 XGFZZURANXHOPT-JQMQQXRMSA-N 444.775 5.221 10 1 IKCF Cc1cccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587751451 MNNNBMMQXCXMKK-FATZIPQQSA-N 427.361 5.928 10 1 IKCF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cc2c3c(c(=O)oc2c(C)c1O)CCCC3 963228630 MCZKIWGIFVRINK-YMGMXPECSA-N 431.576 5.606 10 1 IKCF O=C(O)[C@H]1CCCN(CCCC=Cc2cccc(N=Nc3cccc4ccccc34)c2)C1 1857629190 OPYYBKVZCIOLEP-QHCPKHFHSA-N 427.548 6.845 10 1 IKCF O=C(Nc1ccccc1-c1ccc(C(=O)O)s1)c1cccc(-c2ccc(O)c(O)c2O)c1 36242753 UWEWOIYXLWDCAV-UHFFFAOYSA-N 447.468 5.149 10 1 IKCF Cc1cc(-c2csc(/C(=C\c3ccccc3O)C(=O)O)n2)c(C)n1-c1ccccc1F 587921977 FSTKPZONWBBPLZ-LDADJPATSA-N 434.492 5.688 10 1 IKCF CCN(CC)c1ccc(/N=N\c2ccc(S(=O)(=O)Nc3nc(C)cc(C)n3)cc2)cc1 103171545 FNNSCYZHZIXRJU-QPLCGJKRSA-N 438.557 5.156 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H]4CCc5c(ccc(O)c5O)[C@H]4CC[C@@]31C)O2 587402667 BDQKUBZAHGOOPR-HSHHSNPWSA-N 433.548 5.249 10 1 IKCF Nc1ccc(CCCN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1 40431128 JELNYWZNGODLTO-UHFFFAOYSA-N 440.635 5.407 10 1 IKCF COc1cccc(CNCCCNc2ccnc3cc(Cc4ccc(F)cc4)ccc23)c1O 72122706 RREJWKQUZYYVES-UHFFFAOYSA-N 445.538 5.271 10 1 IKCF CCN(CC)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 95586068 YKMOKNGXGVSTSS-UHFFFAOYSA-N 443.012 5.577 10 1 IKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F 587569660 SABHXRIJBDKCLL-JYFHCDHNSA-N 429.447 5.642 10 1 IKCF Cc1ccnc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 587575814 GIQMCVJIANXXTB-JYFHCDHNSA-N 426.472 5.206 10 1 IKCF CC[C@]1(c2cc(Cl)cc(Cl)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587691595 GXJMLJHFCVEVDC-NIVTXAMTSA-N 433.148 5.788 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4OC(C)C)n3)c2C)c1 587924079 CORQZLLOBJJUHW-UHFFFAOYSA-N 434.630 7.394 10 1 IKCF Nc1nn2c(nnc3c4ccccc4ccc32)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1 45321252 XOHCWKWQYUGBRB-SZCHNNMLSA-N 443.474 6.844 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c(C)c1 587574442 AXAJIKIPOWAIDG-LEAFIULHSA-N 439.511 6.119 10 1 IKCF Oc1cc(O)c([C@]2(Cc3ccc(Cl)cc3)c3ccc(F)cc3C[C@H]3CCCN32)c(O)c1 963102797 GCICQUGZLABOKB-CLOONOSVSA-N 439.914 5.103 10 1 IKCF Cc1ccc2c(C3CCN(CCc4c(C)ccc5c4ccc(=O)n5C)CC3)cccc2n1 64573487 XXWZKIFEDVSRQM-UHFFFAOYSA-N 425.576 5.126 10 1 IKCF O=C1/C(=C\c2c[nH]c3ccccc23)c2ccccc2N1C(=O)c1c(Cl)cccc1Cl 72106112 AYFUJDHOZCTHLX-ATVHPVEESA-N 433.294 6.202 10 1 IKCF CC(=O)N(C1=NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S1)c1ccccc1 95614986 WFLINPFRLHPFGO-HMAPJEAMSA-N 433.508 5.257 10 1 IKCF C=C/[N+]([O-])=N/CCCCCCCCn1cc(-c2cc3ccccc3c3ccccc23)nn1 1857579783 CVVOUWMSPWSGRB-QVTSOHHYSA-N 427.552 6.698 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)c(Br)c2)N1 587681451 XGIYMASYBXKPHZ-MLCYQJTMSA-N 442.170 5.040 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@](CN1CCCC1)(c1cc(C)n(-c3ccc(F)cc3)c1C)O2 587384009 IUMBDTVPAMIJGS-HHHXNRCGSA-N 447.554 5.080 10 1 IKCF CN(C)c1ccc([C@@H]2N[C@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)cc1 26816281 CFPAEAOCFWPJMN-AHWVRZQESA-N 433.559 5.600 10 1 IKCF CC[C@@]1(c2ccc(Cl)c(Cl)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587698907 WBSLEYQWWQECOQ-LZVRBXCZSA-N 433.148 5.788 10 1 IKCF CC[C@@]1(c2ccc(Cl)c(Cl)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587698913 WBSLEYQWWQECOQ-YYSFKGJASA-N 433.148 5.788 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccnc(NC(C)=O)c4)n3)c2C)c1 587924416 XMEMDJXHOQLSOZ-UHFFFAOYSA-N 434.590 5.960 10 1 IKCF CC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3cccc(C)c3nc2c1C 26848461 DGXIPSXTLVFNKW-UHFFFAOYSA-N 448.548 5.078 10 1 IKCF Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@H](c3cccc([N+](=O)[O-])c3)C2)ccc1O 28653311 YUUYJMDTZPPDTG-QFIPXVFZSA-N 446.532 5.465 10 1 IKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)cc1 587507433 PZIABMMVRMKLIS-XMMPIXPASA-N 437.486 6.281 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4ccc(F)cc4Cl)n3)c2C)c1 587924036 ADDMPLRXUFZQPU-UHFFFAOYSA-N 443.012 7.323 10 1 IKCF O=S(=O)(O)c1ccc2c(N=Nc3ccc(O)cc3)c(N=Nc3ccccc3)ccc2c1 2356806382 AGKNWSPMHKJQJZ-UHFFFAOYSA-N 432.461 6.623 10 1 IKCF O=C(O)c1cccc2c(-c3c(F)cccc3Cl)c(-c3ccccc3Br)[nH]c12 587637235 FVLNMGBCSRVQSZ-UHFFFAOYSA-N 444.687 6.755 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c21 587954943 FKFOQHDKOIZUTA-QHCPKHFHSA-N 428.491 5.713 10 1 IKCF COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(/N=N/c4ccccc4F)c3F)cc12 1857592395 BEWOSIHVWOCZFZ-CYYJNZCTSA-N 426.358 5.052 10 1 IKCF Cc1ccc(F)cc1-c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2N)cn1 201506813 JYGULNVJOGUOQA-CYYJNZCTSA-N 436.468 5.594 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(C(=O)O)cc3C)c1C)CC2=O 587471833 WGHAVZFLEXEZIY-DEOSSOPVSA-N 433.504 5.465 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 587724603 KCGQBKOJBPVSJL-RCDICMHDSA-N 435.356 5.515 10 1 IKCF Cc1c(CN[C@H](C)c2ccccc2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1857574386 WKXONVNHMDNXOT-GOSISDBHSA-N 435.398 7.610 10 1 IKCF Cc1ccc([C@]2(c3ccccc3Cl)c3ccsc3CCN2Cc2cccnc2)c(O)c1 962998920 WZSMNTGPTLJKDQ-AREMUKBSSA-N 447.003 6.161 10 1 IKCF CN(C)c1ccc(/C=C/C=C2\C(=O)N(Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1 474609291 OUXIPDVFJSFWQE-KXRKQJTLSA-N 425.488 5.304 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(C(F)(F)F)cc(F)cc4[nH]3)cc2)cc1 587195764 METYIBSFSQWILE-UHFFFAOYSA-N 427.405 6.869 10 1 IKCF Cc1cccnc1-n1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587752839 SZBABLNZVXXZEB-LRTDBIEQSA-N 428.349 5.323 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(-n5cccc5)c4)n3)c2C)c1 587924405 WXSJPRGTPISYIC-UHFFFAOYSA-N 441.625 7.397 10 1 IKCF CC(C)[C@H]1c2cc(O)c(O)cc2CCN1C(=S)NCCc1ccc(Cl)cc1Cl 1857611126 CQWWLKYKRWFXEX-FQEVSTJZSA-N 439.408 5.077 10 1 IKCF CCOc1ccc(C2=NC3(CCN(C(C)C)CC3)N[C@@H](c3cc(Cl)ccc3O)C2)cc1 2936534 AJKMRFMDBKNIBU-HSZRJFAPSA-N 442.003 5.169 10 1 IKCF FC(F)(F)c1cccc2c1[C@H](c1ccc(N3CCCCCC3)cc1)NCC21CCOCC1 962963906 XHPADVLQNAVNDR-DEOSSOPVSA-N 444.541 5.827 10 1 IKCF CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccccc2)c1O 28008200 KTIFALHZLPRHHG-UHFFFAOYSA-N 447.966 6.085 10 1 IKCF CN(C)c1ccc(CN2CCCN(Cc3ccc(N(C)C)cc3)C2c2ccc(F)cc2)cc1 103279697 BQGNXFNANTXKDD-UHFFFAOYSA-N 446.614 5.364 10 1 IKCF C[C@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347761 UVTGCHARMWZIEK-XNMGPUDCSA-N 447.506 5.107 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cc(Cl)cc(Cl)c3)c1C)CC2=O 587463280 VEPWMJFFQQDSBQ-HSZRJFAPSA-N 444.358 6.766 10 1 IKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 587569316 HLGUIIZSNTWSRM-ZEQKJWHPSA-N 429.447 5.642 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(N=Nc3ccccc3)ccc2O)N1 587743555 WZTVONQIBKRMTG-DMZKTXOQSA-N 440.316 6.333 10 1 IKCF CC(C)(C)c1cc(O)c([C@@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc1Cl 962707810 YKEVRZHPXDCICC-FUHWJXTLSA-N 445.840 5.189 10 1 IKCF [N-]=[N+]=NCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587260011 LRCNZUCSEWVSFX-UHFFFAOYSA-N 432.937 5.430 10 1 IKCF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 587735803 QHGZSBRZPDPVEG-IPQOISQHSA-N 431.324 5.758 10 1 IKCF Oc1cccc(CCCCC=CCC=CCCCCCCCc2cccc(O)c2O)c1O 2356571421 QSKMIIVRMKYVQQ-UHFFFAOYSA-N 438.608 7.308 10 1 IKCF O=C(COc1ccc(Cl)cc1Cl)/N=N/c1c(O)[nH]c2ccc(Br)cc12 103961901 UAOPTGRCOGHTBC-QURGRASLSA-N 443.084 5.632 10 1 IKCF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 587735804 QHGZSBRZPDPVEG-VERVWZFWSA-N 431.324 5.758 10 1 IKCF CCCNc1cc(OCC)c(Br)cc1-n1c(C)cc2c1CC(C)(C)CC2=O 587936890 NEHBUCCHSJPGTK-UHFFFAOYSA-N 433.390 5.924 10 1 IKCF CSc1ccc(-c2ccc([C@@H]3c4ccsc4CCN3Cc3cccnc3)c(O)c2)cc1 962996310 JABJSRLOSDTOPD-AREMUKBSSA-N 444.625 6.385 10 1 IKCF Fc1ccc(F)c(/N=N/c2ccc(NC[C@@H]3CCCN4CCCC[C@H]34)c3c2CCCC3)c1 32011120 NRYPQEYHVKMSLF-PJNPWKEYSA-N 438.566 6.935 10 1 IKCF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)C4(C(F)(F)F)CC4)cc3)C2)cc1 96172992 CGYMXXGUMIKCLD-QGZVFWFLSA-N 447.497 5.758 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cccc(Cl)c12 26849201 KIALLNYEJZTKCF-UHFFFAOYSA-N 427.913 5.165 10 1 IKCF CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCOCc2ccccc2)cc1 73197445 JTCFVAYZYJTECF-UHFFFAOYSA-N 429.609 6.032 10 1 IKCF CC[C@@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587676849 GGTZHRLABBHENU-MLCYQJTMSA-N 443.154 5.244 10 1 IKCF O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccccc2-c2ccccc2)SC1=S 96929607 LLGOBIOQJLUNLN-YVUGPFRESA-N 445.565 5.251 10 1 IKCF CC[C@@H](C)c1ccc2[nH]c(-c3cc(C)n(-c4ccc(F)cc4)c3C)c(N3CCCC3)c2c1 587643476 UTEHLSSCZOMMMQ-GOSISDBHSA-N 429.583 7.495 10 1 IKCF CC(=O)Nc1cccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccccc2)c1 28822670 ISSMVINZXAUKAL-UHFFFAOYSA-N 430.935 6.644 10 1 IKCF COc1ccc2nc(-c3ccc(-n4c(C)ccc4-c4ccc([N+](=O)[O-])cc4)cc3)sc2c1 96933011 LEYYGHQLLXITCJ-UHFFFAOYSA-N 441.512 6.646 10 1 IKCF CCC[C@]12C[C@H](O[C@H](C)[C@H]1O)c1ccc3c(c1N2)C(=O)c1ccc2cc(C)ccc2c1C3=O 83921202 FRAARNLUWMVPMQ-RHQVWDBHSA-N 441.527 5.099 10 1 IKCF in-vitro Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1F 587724845 MAOJQNPFJAIEPP-RKFFSXRUSA-N 449.314 5.898 10 1 IKCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587767745 JGMKZVKGSFKLFM-LDMYIKCASA-N 445.376 5.015 10 1 IKCF CC(C)C(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O 26839530 ANVILPUCTSJNHG-UHFFFAOYSA-N 433.533 5.080 10 1 IKCF Cc1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2c1 587271803 IXLJJBOQNKQHQZ-PJIJBLCYSA-N 439.313 5.677 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(F)c3[nH]1)[C@@H]1CC=C[C@H]21 587275531 DQRRRJGFSWHMLE-IUUKEHGRSA-N 443.276 5.508 10 1 IKCF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(C)C 587751836 BAGVNWAURWDAHO-QKFKETGDSA-N 429.377 6.131 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 587759007 ZSDPHFWSIHODAH-GYCJOSAFSA-N 439.372 5.480 10 1 IKCF Cc1ccc(OC[C@]2(c3ccc(O)cc3O)NCCc3ccc(F)c(C)c32)c(C(C)(C)C)c1 962381426 YEFQKVIETQEOGR-MUUNZHRXSA-N 449.566 5.620 10 1 IKCF CC(=O)Oc1ccc(O)c(O)c1CC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 38514079 QUMFQHZIHBPZFC-YTFSRNRJSA-N 448.688 8.031 10 1 IKCF biogenic COc1ccc([C@H](c2cc(C(C)(C)C)cc(O)c2O)c2ccc(C(C)C)cc(=O)c2O)cc1 28218729 AFYHNDFDUOGPFP-VWLOTQADSA-N 448.559 5.773 10 1 IKCF CN1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]21 253644990 KCGKCOSXAOFVQE-BUALBWRZSA-N 442.603 5.526 10 1 IKCF CCOc1cc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c(Cl)cc1C(=O)O 587942428 ZBOVSZFMZBEHMT-UHFFFAOYSA-N 448.302 5.565 10 1 IKCF C[C@H]1CC/C(=C\c2ccc(N(C)C)cc2)C2=C1[C@@H](c1ccc(N(C)C)cc1)NC(=S)N2 5581503 QVQJIPZPBHGBJF-ZSLDMMLYSA-N 432.637 5.105 10 1 IKCF Cc1ccc(Sc2ccc(/C=C3\SC(=S)NC3=O)cc2Br)cc1F 96174926 JKZLCDFSFLJGCH-CHHVJCJISA-N 440.384 5.537 10 1 IKCF Cc1ncc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)s1 149957816 CRUNFJQAJCTHSB-KRWDZBQOSA-N 447.604 5.335 10 1 IKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F 587569662 SABHXRIJBDKCLL-ZEQKJWHPSA-N 429.447 5.642 10 1 IKCF COc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 587578766 RSSOORHZOFOJCB-RPLLCQBOSA-N 441.483 5.511 10 1 IKCF CCCCc1ncc(/C=C(\Cc2ccc(O)c(O)c2)C(=O)O)n1Cc1ccccc1Cl 1552589 FWBPMNPTPSMCQQ-QGOAFFKASA-N 440.927 5.049 10 1 IKCF COc1cc(OC[C@@H]2CC2(F)F)ccc1N1CC(Oc2ccc([C@H](C)CC(C)=O)cc2)C1 96172895 CEABTFYDBBJZEP-APWZRJJASA-N 445.506 5.079 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)CC2=O 587462239 NZVOJELCYYGMBB-HSZRJFAPSA-N 444.358 6.766 10 1 IKCF Cc1cnc(SC[C@@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535821 OOUHMFUANKRPJL-JOCHJYFZSA-N 427.616 6.045 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 587724602 KCGQBKOJBPVSJL-PEBXRYMYSA-N 435.356 5.515 10 1 IKCF CC=C1CN2CCc3c([nH]c4ccccc34)[C@@H]2C[C@H]1CC1=NCCc2c1n(C)c1ccccc21 2356720730 IAEJNNUOVAJFBH-NGOKVRLYSA-N 448.614 5.961 10 1 IKCF CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccccc2)c1O 28018590 SPXOACNJYBCXEX-UHFFFAOYSA-N 431.967 6.893 10 1 IKCF Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)c(/N=N/c2ccccc2[N+](=O)[O-])s1 98084855 HZPZWWOMXYDREK-CYYJNZCTSA-N 444.476 5.968 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 587710405 GFCWCSAGRRXRKY-YPMLDQLKSA-N 431.271 5.297 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C/c2ccccc2)(c2ccccc2O)N1 587834384 RTBRHWVJMIFQAS-URUSLNKFSA-N 438.340 5.785 10 1 IKCF CSc1ccc(-c2ccc(C)n2-c2ccc(F)c(C(=O)OCc3ccccc3)c2F)cc1 587944007 VPOJDVDZFNTQIX-UHFFFAOYSA-N 449.522 6.810 10 1 IKCF Oc1ccc2cc(Br)ccc2c1[C@@H](c1cccc(Cl)c1)N1CCCCC1 653708504 RXMWDXZGMFSXOX-JOCHJYFZSA-N 430.773 6.537 10 1 IKCF CCN1C(=O)/C(=C2\SC(c3ccccc3)(c3ccccc3)c3ccccc32)SC1=S 18099452 NUNVJRJIEJDNKK-QURGRASLSA-N 445.634 6.274 10 1 IKCF COc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587753315 UZZVMADAKUFXCX-NPMABZOXSA-N 443.360 5.628 10 1 IKCF CCN(CC)c1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 587924435 YHGWFSGKYBKOBW-UHFFFAOYSA-N 447.673 7.453 10 1 IKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)OC(C)(C)C)C(=O)C=[N+]=[N-] 27631489 RIUKPDJEJWMRLW-ASVLODSOSA-N 449.661 5.902 10 1 IKCF COc1ccc(C[C@@H](C)NCCC=C2c3ccccc3CCc3ccccc32)cc1OC 84651499 VZIBRUDXJSKHCO-OAQYLSRUSA-N 427.588 5.845 10 1 IKCF CN(C)c1ccc([C@H](O)[C@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513302 RIWBMQXMWAKFLD-WUFINQPMSA-N 427.544 5.226 10 1 IKCF COc1ccc(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)cc1 587936031 PTDBAGAJKBMZAP-UHFFFAOYSA-N 430.463 5.681 10 1 IKCF CSc1ccc(-c2ccc(C)n2C[C@@H](c2cccc(Br)c2)N(C)C)cc1 587941923 YFCSLVQBOFFYPZ-QFIPXVFZSA-N 429.427 6.251 10 1 IKCF COc1c(C)cc2c(c1O)C(=O)N(c1ccccc1)[C@@H]2c1c(O)ccc2c1OC(C)(C)C=C2 2356838512 MAPMWKAHOFUWRT-QFIPXVFZSA-N 443.499 5.349 10 1 IKCF O=S(=O)(Nc1cc(Sc2ccccc2)c(O)c2ccccc12)c1ccc(Cl)cc1 95755481 SGAFPLVUXUVXQF-UHFFFAOYSA-N 441.961 6.151 10 1 IKCF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc(N2C[C@H]3CCCC[C@@H]3C2)cc1 169332689 CAQFTFMMBYLMRM-RTBURBONSA-N 436.987 5.107 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c21 587148624 CUIQIVMXEDWSJJ-DEOSSOPVSA-N 447.469 5.679 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C[C@H]3c4ccccc4N(C)[C@H]3C=C2)N1 587765745 DWAKGPIBQWYFPA-HOOJFUOWSA-N 425.345 5.262 10 1 IKCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587945773 PQOFYIDCCXNAIL-UHFFFAOYSA-N 439.483 5.927 10 1 IKCF CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccc(F)cc2)c1O 28017225 RKSSFHZUOOKLRO-UHFFFAOYSA-N 449.957 7.032 10 1 IKCF COc1cc(O)c([C@@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1Cl 963818132 RAMSDHGQUPCUSM-AREMUKBSSA-N 448.950 5.524 10 1 IKCF COc1ccc(/C=C/C(=O)NCCCCNc2c3ccccc3nc3ccccc23)cc1 95582541 UFNOHZSDJLOJAE-SAPNQHFASA-N 425.532 5.418 10 1 IKCF COc1ccc(N2CCC(N[C@@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1F 72185715 UQQBVMKPQVCNJK-DEOSSOPVSA-N 443.925 5.370 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc3c(ccc4c(O)c5ccccc5c(O)c43)nc21 101311648 DPDBWHXOHVWYBJ-UHFFFAOYSA-N 442.430 5.276 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)c(Br)cnc3[nH]1)[C@@H]1CC=C[C@@H]21 587271277 ADGOOBSSOAOHJE-VFVRVIDISA-N 440.301 5.072 10 1 IKCF COC(=O)c1cccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 587512219 MBTJNJSGWOQMEN-VWLOTQADSA-N 429.516 5.466 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)c(Br)c2)N1 587681456 XGIYMASYBXKPHZ-YPMLDQLKSA-N 442.170 5.040 10 1 IKCF COc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587752636 SMVCDKZGQGEXOL-ZLOXQWCVSA-N 443.360 5.628 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cnccc4C(F)(F)F)n3)c2C)c1 587924101 FHJDFQBEZAOVQA-UHFFFAOYSA-N 445.535 7.020 10 1 IKCF CCO[C@H](Cc1ccc(OCCC=C2c3ccccc3CCc3ccccc32)cc1)C(=O)O 1547804 PZIGMFKCTPIMQT-MUUNZHRXSA-N 442.555 5.718 10 1 IKCF CCc1cc2c(N(CC)CC)ccc(OC)c2nc1-c1c(OC)cc(COC)cc1OC 95578991 YUVOHIRVPNRLGG-UHFFFAOYSA-N 438.568 5.483 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4cnc(N)nc4-c4ccccc4Cl)[nH]c3c2)cc1 587060674 LTEWMSVBGYIOAX-UHFFFAOYSA-N 428.883 5.297 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 587822143 LHUIEAQCQVTMMP-ZLOXQWCVSA-N 440.312 5.397 10 1 IKCF CC[C@@]1(c2cc(Br)ccc2O)c2ccsc2CCN1Cc1cccnc1 963002656 CVURDBHXSWTPBL-NRFANRHFSA-N 429.383 5.323 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c(C)c1 587574441 AXAJIKIPOWAIDG-LBNVMWSVSA-N 439.511 6.119 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(Cl)cc2O)N1 587697808 PCNUTELCAGERFT-DMZKTXOQSA-N 446.747 5.773 10 1 IKCF CC(C)(C)c1cc(O)c([C@H]2N[C@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc1Cl 962707813 YKEVRZHPXDCICC-WMZOPIPTSA-N 445.840 5.189 10 1 IKCF COC(=O)c1ccc(C(F)(F)F)cc1/N=N\Nc1cc(C(F)(F)F)ccc1C(=O)OC 27978585 OJTDZXNXKFNZLK-UHFFFAOYSA-N 449.307 5.408 10 1 IKCF O[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)CCc2cc(OCc3ccccc3)ccc21 64559500 UQNIKTWWOSENPX-LJAQVGFWSA-N 442.603 5.348 10 1 IKCF Oc1cc2cc(c1O)Oc1ccc(cc1)CCc1cccc(O)c1Oc1ccccc1CC2 238755069 SCWKUSONPRYOHV-UHFFFAOYSA-N 440.495 6.272 10 1 IKCF Nc1ccc(-c2ccc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3c2)cc1N 587078055 GLLLJOXGHOMCSO-SRGWNRLKSA-N 427.939 5.874 10 1 IKCF CSc1ccc(-n2c(C)cc([C@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)c2C)cc1 963224280 BPCBSEWFWANOTD-LOSJGSFVSA-N 443.572 5.053 10 1 IKCF Cc1ccc(/N=N/c2c(C)nn(C(=O)COc3ccc4c(C)cc(=O)oc4c3)c2C)c(C)c1 45318978 KOYHBDVTNVYCIC-CYYJNZCTSA-N 444.491 5.666 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)CC2=O 587464183 KQBKNOQJGVTMLQ-QHCPKHFHSA-N 443.465 6.478 10 1 IKCF O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1cc2ccc(Cl)cc2nc1Cl 1857617357 IEZQXSHUBRODEZ-FYJGNVAPSA-N 444.317 7.190 10 1 IKCF CC(C)C[C@H]1CC(c2ccc(O)c(O)c2)=Cc2c1cc(O)c(O)c2CCc1ccccc1 2356780312 SHYQKTUMPHRKNN-NRFANRHFSA-N 430.544 6.368 10 1 IKCF COc1cccc(CNCCCNc2ccnc3cc(Oc4ccccc4)ccc23)c1O 72126160 IFOOAQLHHCZTFQ-UHFFFAOYSA-N 429.520 5.333 10 1 IKCF COc1ccc(NC(=O)N2CC[C@@H]3[C@H]2c2cc(C4=CCCCC4)ccc2N(C)[C@H]3CO)cc1 95877865 CDTNUYMGQQLQSU-HRNNMHKYSA-N 447.579 5.058 10 1 IKCF COc1ccc(CCCc2cc(O)c(CN3CCCCC3)cc2CN2CCCCC2)cc1 473107478 JFTIAMIJJMDJCT-UHFFFAOYSA-N 436.640 5.548 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)cc(F)cc4[nH]3)cc2)cc1 587195140 GINMMYPVKYENFO-UHFFFAOYSA-N 438.304 6.613 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(C)nc3[nH]1)[C@H]1CC=C[C@H]21 587272905 XUSSPLJNTDJJLX-LXIYXOSZSA-N 440.301 5.072 10 1 IKCF CN(C)c1ccc([C@]2(c3ccccc3)c3ccsc3CCN2Cc2cccn2C)cc1 962396385 GQBYZFASKJPYSU-HHHXNRCGSA-N 427.617 5.503 10 1 IKCF CC(C)(C)c1ccc(CSc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 222936756 HIIVLXSQHJPCKE-UHFFFAOYSA-N 444.581 6.057 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4cc(Cl)c(Br)cc4F)[nH]c3c2)cc1 587137739 IZACBZOBWBLDCJ-UHFFFAOYSA-N 432.680 6.159 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 587276882 ONEOIELMNAQQOQ-SOZUMNATSA-N 443.276 5.508 10 1 IKCF O=C(O)c1cccc2c(-c3ccccc3)c(-c3c[nH]c(C(=O)C(Cl)(Cl)Cl)c3)[nH]c12 587639076 USBASMOSWGBJRN-UHFFFAOYSA-N 447.705 6.081 10 1 IKCF Cc1ccc(-c2ccc(CCC(=O)O)n2CC[C@@H](c2ccc(F)cc2)c2ccco2)s1 587946366 RZFPOTWHXUZRAT-NRFANRHFSA-N 437.536 6.497 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCCC3)cc2)N1 587769619 YQBFLURJKYXREB-WAIKUNEKSA-N 431.393 5.766 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C[C@@H]3c4ccccc4N(C)[C@@H]3C=C2)N1 587770141 PIYMEDQEEXSWND-VNJJMSQGSA-N 425.345 5.262 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 587822511 OMAXOQKJQWNYKP-NPMABZOXSA-N 440.312 5.397 10 1 IKCF CC(C)=CCCC(C)=CCc1cc(C=Cc2cc(O)c(CC=C(C)C)c(O)c2)cc(O)c1O 2356377611 GJZKDVGLDGLPMB-UHFFFAOYSA-N 448.603 7.423 10 1 IKCF O=C1C(=Cc2ccc(OCc3ccccc3)cc2)C(=O)N(c2ccccc2)N1c1ccccc1 40937214 BQQBIKZYNMYROX-UHFFFAOYSA-N 446.506 5.644 10 1 IKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccc(O)cc2)c1O 28014189 NHUBEYBLLGHEFH-UHFFFAOYSA-N 447.966 6.552 10 1 IKCF CCCCC/C=C/C/C=C/CCCCCCCC(=O)N1CCc2cc(O)c(O)cc2[C@H]1C 28651371 HRWXKOZDOJISQG-DCFHCLGCSA-N 441.656 7.357 10 1 IKCF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O 587065909 DUGJCCFOPUDNJI-UHFFFAOYSA-N 437.886 5.758 10 1 IKCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587767741 JGMKZVKGSFKLFM-IKDAMUNISA-N 445.376 5.015 10 1 IKCF O=c1oc2ccccc2c2oc3cc(Br)c(O)c(CN4CCCCC4)c3c12 1857562658 SLFWSCXESGNTSZ-UHFFFAOYSA-N 428.282 5.146 10 1 IKCF CC(C)c1ccc(-c2cc(F)c(-n3nnc4c3C(=O)c3ccccc3C4=O)c(F)c2)cc1 1911583286 USJVGTVLGYDGSX-UHFFFAOYSA-N 429.426 5.111 10 1 IKCF Cc1c(CN2CCSCC2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 36471846 BGUIHAHVGCVANT-UHFFFAOYSA-N 435.395 6.447 10 1 IKCF O=[N+]([O-])c1ccc([CH-]/N=N/c2nc(-c3ccccc3)c3cc(Br)ccc3n2)o1 169693829 BEGCEULEMMEBFT-DARPEHSRSA-N 437.233 5.854 10 1 IKCF CCCN1[C@@H](C)Cc2ccccc2[C@@]12C=C(c1ccccc1)Oc1cc(O)c(OC)c(O)c12 963259038 QSIAGUYUIQOFRA-XDBZFTIUSA-N 443.543 5.440 10 1 IKCF Cc1cc(C)c(O)c(/N=N/c2cccc3c2C(c2ccccc2Cl)=N[C@@H](C)C(=O)N3)c1 29125520 FMYCXRAOVUODSZ-FSJRDOOXSA-N 432.911 6.256 10 1 IKCF O=S(=O)(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc(Cl)c1 103299491 BVLFWBOMQOPQHG-UHFFFAOYSA-N 429.748 5.027 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)cc2Cl)N1 587696103 PJSMVMNDRVOYFJ-ASSNKEHSSA-N 437.784 5.856 10 1 IKCF C[C@]1(c2ccc(N3CCCCCC3)cc2)NC2(CC2)Cc2ccc(Br)cc21 961614839 MFXCCCCUCKSEPE-HSZRJFAPSA-N 425.414 5.771 10 1 IKCF CC(C)=CCCC(C)=CCCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 2356627736 UYMNZDPUODNYKW-QHCPKHFHSA-N 438.520 5.841 10 1 IKCF COc1cccc(CN2CCC(C(=O)Nc3ccc(-c4cccc(C)c4)cc3)CC2)c1O 12507535 NCSALBXIHCSMMC-UHFFFAOYSA-N 430.548 5.227 10 3 IKCF Nc1ccc(Oc2ccc3nc(/C(=C\c4ccc(F)cc4)c4cccs4)[nH]c3c2)cc1 587163906 NNENDQCDCXUYMY-STZFKDTASA-N 427.504 6.727 10 1 IKCF O=C(O)c1ccc(CN2C(=O)/C(=C/c3cccc(Oc4ccccc4)c3)SC2=S)cc1 1772644199 BEVJJYBLVGUHPL-STZFKDTASA-N 447.537 5.579 10 1 IKCF Cc1ccc(-c2c3c(nc4c2c(C)nn4-c2ccccc2)-c2ccccc2C(=O)C3=O)cc1 103266823 RRFHZFDOHGOPGQ-UHFFFAOYSA-N 429.479 5.750 10 1 IKCF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 587703442 YODCPWYLHGHFEZ-YTEVENLXSA-N 447.779 6.273 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(N=Nc3ccccc3)ccc2O)N1 587743561 WZTVONQIBKRMTG-XMHCIUCPSA-N 440.316 6.333 10 1 IKCF NCCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26841754 DOTWBJAKWPEZDQ-UHFFFAOYSA-N 448.592 5.392 10 1 IKCF Cc1cc([C@@H]2c3cccc(Br)c3CCN2C)c(C)n1-c1cccc([N+](=O)[O-])c1 963289289 LOYOUDQPWVGGSN-QFIPXVFZSA-N 440.341 5.342 10 1 IKCF COc1cc2c(cc1Cl)CCN(C/C=C/c1ccc(N(C)C)cc1)C[C@@H]2c1ccccc1 3810261 UIOPJHSPYPVYDX-DIJOXEGBSA-N 447.022 6.118 10 1 IKCF Cc1cc(C)c2[nH]c(O)c(/N=N/C(=O)/C(=C\c3ccccc3)NC(=O)c3ccccc3)c2c1 103969469 WBRIYBNBOVLFJX-ZWLVYGFZSA-N 438.487 5.572 10 1 IKCF O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cccc(Br)c1[N+](=O)[O-] 587937278 OXZAJZPSXPLJCV-UHFFFAOYSA-N 449.688 5.486 10 1 IKCF Cc1cc2c(cc1O)[C@@H](c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)N[C@H](C(=O)O)C2 963493476 WNZWGUPIOIPKJF-SIKLNZKXSA-N 445.346 5.103 10 1 IKCF CC(=O)Oc1ccc(O)c(O)c1CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356645516 TVYGOMSIBBSIKO-UHFFFAOYSA-N 440.624 7.711 10 1 IKCF Cc1cc(OCc2ccccc2)c2c(c1)C(=O)c1cccc(OCc3ccccc3)c1C2=O 169343711 DFRILRPWLNNNDA-UHFFFAOYSA-N 434.491 5.928 10 1 IKCF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccn2)cc1 34207250 VKCCMLORNVJVLH-UHFFFAOYSA-N 428.941 5.064 10 1 IKCF CC(C)(C)OC(=O)N1CCc2cc(O)cc(O)c2[C@@H]1Cc1ccc(-c2ccccc2)cc1 103173755 REIBHVKIFATPAH-QHCPKHFHSA-N 431.532 5.842 10 1 IKCF CCCCCCc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587822796 RBGKGDGPXDDJLX-WNSKOXEYSA-N 434.393 6.214 10 1 IKCF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1Cc1ccccc1F 587500518 CTLZQMQCFTYFDR-MHZLTWQESA-N 439.530 6.722 10 1 IKCF CNc1ccc(NC)c2c1C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587510458 HBEIYGSOXDVVGI-NDEPHWFRSA-N 438.527 5.102 10 1 IKCF Nc1ccc(Oc2ccc3nc(/C=C/c4ccc(OCc5ccccc5)cc4)[nH]c3c2)cc1 587783752 GRZJLPXKZBEYDD-CAOOACKPSA-N 433.511 6.687 10 1 IKCF Cc1cc([C@H]2c3cccc(Br)c3CCN2C)c(C)n1-c1cccc([N+](=O)[O-])c1 963289288 LOYOUDQPWVGGSN-JOCHJYFZSA-N 440.341 5.342 10 1 IKCF CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3cccs3)ncnc21 82190222 BCIKRSSZGMLJAK-GOSISDBHSA-N 446.624 5.813 10 1 IKCF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](C(=O)O)N4)nc3cccc1c23 587106675 MURGXLPNHCBWMU-WXFDILNBSA-N 444.490 5.652 10 1 IKCF COc1cc2c(cc1OC)[C@](CC(=O)c1ccccc1)(c1cc(C)ccc1O)N(C)[C@@H](C)C2 962643719 XVSYENMJHZZEJP-HMILPKGGSA-N 445.559 5.111 10 1 IKCF Cc1c(Br)c(O)c2c(c1Br)[C@H]1[C@@H](C(C)C)CC[C@@]1(C)C(=O)C2=O 38941050 XKEGJOWTEPEJJA-YHRQMHJJSA-N 444.163 5.147 10 1 IKCF Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCN(c2ccccc2)CC1 45300105 LHHZVWQBZDCQSP-UHFFFAOYSA-N 444.966 5.660 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]4CC[C@@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 587409792 WPBFBAKHQNCTLI-VWGNVWKNSA-N 449.591 5.072 10 1 IKCF CCOc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)cc1OCC 587922877 YKMLUNHHGJEJNZ-UHFFFAOYSA-N 436.552 6.821 10 1 IKCF Cc1c(/N=N/c2cccc(C(F)(F)F)c2)ccc(NC[C@@H]2CCCN3CCCC[C@H]23)c1C 32011118 KLBSYEXWWJCNMB-GNTNMLBSSA-N 444.545 7.414 10 1 IKCF [N-]=[N+]=NC[C@@H](F)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 169347604 SOBFAGNLHLASBP-LLVKDONJSA-N 426.087 5.968 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(C)[nH]c(N=Nc3cccc(C(=O)O)c3)c1C)O2 587396028 ISDDXRQIRGCGEX-XMMPIXPASA-N 432.480 5.516 10 1 IKCF CCN(CC)c1ccc(CN(CCCCCN)C(=O)CCCc2c[nH]c3ccccc23)cc1 28825926 WYTGBBCSABEMGY-UHFFFAOYSA-N 448.655 5.495 10 1 IKCF Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 40934910 PBEBMILMXGWHTQ-QHCPKHFHSA-N 432.907 5.187 10 1 IKCF COc1ccc([C@@H](Nc2ncc(Cl)cc2C)c2ccc3cccnc3c2O)cc1OC 203772091 MVUOHRYXDQYLSF-OAQYLSRUSA-N 435.911 5.516 10 1 IKCF Cc1ccc([C@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2ccccc2)cc1 299836940 IUEJRPNRKWUJEV-OAQYLSRUSA-N 435.321 5.455 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(OCc5ccccc5)ccc4[nH]3)cc2)cc1 587196048 PNKWEKXZHULFQD-UHFFFAOYSA-N 447.542 7.290 10 1 IKCF O=C1NC(=S)S/C1=C\N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(Cl)cc1 653878760 IFGOGXDHPCFACP-GAASDFDMSA-N 449.988 5.634 10 1 IKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 962949111 PFXCZMKBNBRPNO-JWRCQZCYSA-N 448.522 6.054 10 1 IKCF Cc1ccnc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 587575815 GIQMCVJIANXXTB-OZXSUGGESA-N 426.472 5.206 10 1 IKCF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1Cl 587693792 FLHMFLQEWXPINR-VERVWZFWSA-N 447.779 6.273 10 1 IKCF CCCCN(CCCC)c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587741622 ODWPYBGEMWAMSJ-OSPHWJPCSA-N 447.436 6.618 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c(C)c1 587751651 NJESXIAXHUIVPE-IZHWHUGBSA-N 441.388 6.236 10 1 IKCF CC(C)(Oc1ccc(OCCc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)O 1857545615 NEYZWYWDKROWQC-OCEACIFDSA-N 449.463 5.874 10 1 IKCF CN(C)c1ccc([C@H]2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)cc1 13863910 CFPAEAOCFWPJMN-AOYPEHQESA-N 433.559 5.600 10 1 IKCF Cc1nn(-c2cccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)c(C)c1Cl 587065296 NMKUYQMANMCNEI-UHFFFAOYSA-N 429.911 6.060 10 1 IKCF COc1ccccc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587575551 FPFGNZPXTYQUAJ-SQHAQQRYSA-N 441.483 5.511 10 1 IKCF O=C(O)c1cccc2c(-c3ccccc3F)c(-c3cc(Br)ccc3O)[nH]c12 587638081 TYCNFARWNXWYMF-UHFFFAOYSA-N 426.241 5.807 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4ccc(Cl)cc4)n3)c2C)c1 587924296 QJYXWVXIOITGPI-UHFFFAOYSA-N 425.022 7.184 10 1 IKCF CSc1ccc(-c2ccc(C)n2-c2c(Br)cccc2-c2cnn(C)c2)cc1 587936549 VEGKQKJTYLHPOH-UHFFFAOYSA-N 438.394 6.338 10 1 IKCF Oc1ccc2ccc(O)c([C@@H]3NCC4(CCOCC4)c4cc(C(F)(F)F)ccc43)c2c1 962950191 DVTUAMFRLMLTFU-JOCHJYFZSA-N 429.438 5.011 10 1 IKCF COc1ccc(N2CCN(c3cc(-c4ccc(Cl)cn4)nc4ccccc34)CC2)cc1 96269563 IJRFLNWTUNYYHP-UHFFFAOYSA-N 430.939 5.285 10 1 IKCF CC(C)(C)c1ccc(S(=O)(=O)Nc2c(Cl)cccc2C(=O)c2ccncc2)cc1 146996566 GICSZPWMOSWEMY-UHFFFAOYSA-N 428.941 5.064 10 1 IKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cc(Cl)cc(Cl)c4)c1C)[C@@H](C2)C3=O 587419360 LGNFDWXPTXJPNC-CVDCTZTESA-N 428.315 5.898 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Br)c2O)N1 587680610 UCECUQIVCBYWOL-NZFNHWASSA-N 449.545 5.333 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc([C@@H](C)Cn4nc(C)cc4C)n3)c2C)c1 587924292 QFKBWJCOVVEHJQ-HNNXBMFYSA-N 436.650 6.557 10 1 IKCF O=C(O)c1ccc(N[C@H](c2ccc(Br)cc2)c2ccc3ccccc3c2O)cc1 653787721 JFERHQFYDYZVIT-JOCHJYFZSA-N 448.316 6.208 10 1 IKCF [N-]=[N+]=NCCC[C@H]1CC[C@]2(CC1=O)NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962953679 JXSOKPIXUHWLCM-YCRPNKLZSA-N 436.478 5.012 10 1 IKCF Cc1cc(N2CCCC2)ccc1CNCCCCNCc1ccc(N2CCCC2)cc1C 1857604764 KPMXJRMULJJWDI-UHFFFAOYSA-N 434.672 5.163 10 1 IKCF CCN(CC)c1ccc(OC)c2nc(-c3c(OC)cc(COC)cc3OC)c(Cl)cc12 95578975 GBSCOSJWUVKUFM-UHFFFAOYSA-N 444.959 5.574 10 1 IKCF CCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 95591782 MBPQEOSRDRLVBB-UHFFFAOYSA-N 442.669 6.180 10 1 IKCF CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587509414 COBMSPBVQNIMAI-UHFFFAOYSA-N 440.587 5.606 10 1 IKCF Cc1ccc(O)c([C@]2(CC(=O)c3cccc(F)c3)NCCc3c(Cl)cc(Cl)cc32)c1 963111682 RMHBWRSJGRUQAO-XMMPIXPASA-N 444.333 5.809 10 1 IKCF COc1ccc2nc3cc(Cl)ccc3c(NC3CCN(CCc4ccccc4)CC3)c2c1 95573006 WEFNRRYQRFBEGB-UHFFFAOYSA-N 445.994 6.169 10 1 IKCF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587013932 CZIYJIKBYNZUAL-UHFFFAOYSA-N 432.936 6.690 10 1 IKCF O=C(O)c1ccc(N[C@H](c2ccc(Br)cc2)c2ccc3cccnc3c2O)cc1 653798424 PKCXEKWXPIBUME-HXUWFJFHSA-N 449.304 5.603 10 1 IKCF Cc1ccc(O)c([C@@]2(CC(=O)c3cccc(F)c3)NCCc3c(Cl)cc(Cl)cc32)c1 963111681 RMHBWRSJGRUQAO-DEOSSOPVSA-N 444.333 5.809 10 1 IKCF CCCCOc1cc(Cl)c(/N=N/c2c(O)ccc3ccccc23)c(OCCCC)c1 1857553943 JAVXWEDUOWDNKZ-CYYJNZCTSA-N 426.944 7.972 10 1 IKCF CCCN(CCC)[C@H](C)CC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 45190052 IAYWVCABORJZDB-RBUKOAKNSA-N 442.047 7.141 10 1 IKCF O=C1OC(c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)=N/C1=C/c1cccs1 473160487 YBDANYRKKKBVTL-ORVRKZHRSA-N 444.516 5.345 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cccc(Br)c3)c1C)O2 587374002 WFVHKJPJEDYDNU-OAQYLSRUSA-N 425.326 5.454 10 1 IKCF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 587698122 HVHUSSNOMBOCCG-YTEVENLXSA-N 447.779 6.273 10 1 IKCF COc1cccc(-c2csc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)n2)c1 1857603689 KAKHSJXVXRUANP-QHCPKHFHSA-N 427.529 5.880 10 1 IKCF COc1c(CC=C(C)C)c(-c2c[nH]c3ccccc23)c(O)c(O)c1-c1c[nH]c2ccccc12 14616128 SAKHMTSOQDRICH-UHFFFAOYSA-N 438.527 6.912 10 1 IKCF biogenic COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(C(C)C)cc12 27563312 UBTXMGWRYKDCSA-UHFFFAOYSA-N 435.549 5.635 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 587747174 MUESIMWQHIHVKP-LRTDBIEQSA-N 448.336 5.110 10 1 IKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3cccc(N4CCN(C)CC4)c3)c2c1 40895562 ZONHGCWWESPZLG-UHFFFAOYSA-N 432.955 5.545 10 1 IKCF CN(C)c1ccc(/C=C/c2nc3ccccc3nc2SCc2nc3ccccc3[nH]2)cc1 71294282 LIXBFMAIVDEKFS-DTQAZKPQSA-N 437.572 6.035 10 1 IKCF O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@@H]1c1ccc(F)cc1O 71341087 QGYYUJZCAWNHRQ-HXUWFJFHSA-N 444.491 5.041 10 1 IKCF Cc1ccc(-c2nc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c(C)s2)cc1 587013511 YWGSJZRAIHXQCN-UHFFFAOYSA-N 435.508 5.746 10 1 IKCF COc1cc2c3c(c1)O[C@]1(C[C@H]4C(C)(C)CCC[C@]4(C)c4cc(O)c(O)cc41)[C@@H](C2)C3=O 587451268 QVXPMJQTMHETGL-OTUXWUFGSA-N 434.532 5.237 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 587748228 SUZYBJFZVUDJSG-LRTDBIEQSA-N 448.336 5.110 10 1 IKCF CC[C@]1(c2ccc(Br)cc2O)c2ccsc2CCN1Cc1cccnc1 962992480 GUJRFIDMNXAMEE-NRFANRHFSA-N 429.383 5.323 10 1 IKCF Cc1cc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)ccc1Br 586978060 WBVHSWGOMKRVPV-UHFFFAOYSA-N 431.289 5.000 10 1 IKCF Cc1cc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587678549 OCCVRVTXQUIMCF-MLCYQJTMSA-N 443.154 5.162 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587751702 OEVRKASUYIEZDF-LFVRLGFBSA-N 427.361 5.928 10 1 IKCF O=C(O)c1ccc(Nc2c3ccccc3nc3cc(I)ccc23)cc1 26843896 IYGOFTMCPNPPRP-UHFFFAOYSA-N 440.240 5.434 10 1 IKCF O=C(O)c1cc(Br)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078074 GXSLSAYDBBEONI-IUUKEHGRSA-N 444.716 5.504 10 1 IKCF CCOc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587764084 BZAHGCZQZAJHAY-PEBXRYMYSA-N 433.365 5.211 10 1 IKCF CC(C)=CCCC(C)=CCc1c(O)ccc2cc(-c3cc(O)c(O)cc3CC=C(C)C)oc12 2356784242 NUEWZUOYAICTTQ-UHFFFAOYSA-N 446.587 7.961 10 1 IKCF CN(C)c1ccc([C@@H](O)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513291 RIWBMQXMWAKFLD-IZLXSDGUSA-N 427.544 5.226 10 1 IKCF CC[C@]1(c2ccc(Cl)c(Cl)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587691229 ACDCGFWNFMLRKK-DYBLOJMWSA-N 433.148 5.788 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cc([N+](=O)[O-])ccc4N)n3)c2C)c1 587924313 RMQHOGAQBMUFQE-UHFFFAOYSA-N 436.562 6.097 10 1 IKCF COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(/N=N\c4ccccc4F)c3F)cc12 1857550041 BEWOSIHVWOCZFZ-RQZHXJHFSA-N 426.358 5.052 10 1 IKCF CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N\c1ccc2ccccc2c1 102535973 MIHJSQVERHGULI-BDCRVHBXSA-N 425.517 6.147 10 1 IKCF Cc1cc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880220 NSWPYTPOLRBHNJ-UHFFFAOYSA-N 435.483 6.278 10 1 IKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cccc(Cl)c4Cl)c1C)[C@@H](C2)C3=O 587417348 CGTUABCVOOSIPA-QMHKHESXSA-N 428.315 5.898 10 1 IKCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CSc1ccccc12 587619949 WDSSOKJLLLCJRZ-IGKIAQTJSA-N 438.504 5.903 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587751700 OEVRKASUYIEZDF-FATZIPQQSA-N 427.361 5.928 10 1 IKCF CC1CCN(c2ccc([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587769279 ODIQHUBBVDNDRG-WAIKUNEKSA-N 431.393 5.622 10 1 IKCF Cc1c(CNC2CCC(N)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1857616463 FOTQWUWSLMQSIR-UHFFFAOYSA-N 428.407 6.119 10 1 IKCF CCCOc1cc(Cl)ccc1-c1ccc(CCC(=O)O)n1-c1ccc(C(N)=O)cc1C 73274720 HZMMJBDGTRZEIS-UHFFFAOYSA-N 440.927 5.011 10 1 IKCF Cc1ccnc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 587575817 GIQMCVJIANXXTB-ZEQKJWHPSA-N 426.472 5.206 10 1 IKCF COc1cc(OC)cc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c1 587924433 YECDEJNUKIMELB-UHFFFAOYSA-N 436.602 6.624 10 1 IKCF CN1c2ccccc2C(=O)N2CCc3c(n(Cc4ccccc4Cl)c4ccccc34)[C@@H]21 64436823 SKNXCPPIOMWSRW-RUZDIDTESA-N 427.935 5.490 10 1 IKCF Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc12 587875885 UNUIUGFNNDFOGZ-UHFFFAOYSA-N 437.474 6.103 10 1 IKCF O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1ccc(N3CCN(C4CCCC4)CC3)cc12 1857628567 WZJUOLWEDUXENF-AJTFRIOCSA-N 445.607 5.322 10 1 IKCF CC(=O)O[C@H]1c2ccc(CN(C)C)n2-c2cc(Cl)ccc2S[C@H]1c1ccccc1 13760866 HDBOSQCFXIVZDI-GOTSBHOMSA-N 426.969 5.644 10 1 IKCF COc1ccc(C2=NN[C@]3(S2)C(=O)N(c2ccc(Cl)cc2)c2ccc(C)cc23)cc1 28824775 IUKWVYJCLDMAOM-HSZRJFAPSA-N 435.936 5.186 10 1 IKCF Cc1ccc(O)c([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587820920 GBIGLFQNEVITOL-WNSKOXEYSA-N 426.329 5.428 10 1 IKCF O=C(/N=N/c1c(O)[nH]c2ccc(F)cc12)/C(=C/c1ccccc1)NC(=O)c1ccccc1 103969858 HVFZASQCQKPELB-JSXHXCCRSA-N 428.423 5.094 10 1 IKCF Cc1cc(Br)cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587679799 ODSBTYWXIUBEQF-MGNBDDOMSA-N 443.154 5.162 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc3ccccc3cc12 3798033 IOPFSSSLCBMUNJ-UHFFFAOYSA-N 443.528 5.665 10 1 IKCF CC(=O)NCc1cc(-c2ccc(/C=C/C(=O)O)cc2)cc(C23CC4CC(CC(C4)C2)C3)c1O 28825683 SEPIXMZTMDLAAC-QPJJXVBHSA-N 445.559 5.261 10 1 IKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)ccc1Cl 587508852 UJVORPGPWHFDEY-DEOSSOPVSA-N 440.370 6.986 10 1 IKCF CC(C)(C)NCc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccccc2)c1O 28012851 JMBBNIZDYPGJGU-UHFFFAOYSA-N 447.966 6.131 10 1 IKCF Cc1cc2c(c3oc(CCC(F)(F)F)cc(=O)c13)C(=O)c1c(OC(C)C)cccc1C2=O 473081775 DGBDSCXESOYVCB-UHFFFAOYSA-N 444.405 5.159 10 1 IKCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(Cc4ccccc4F)c4ccccc14)[C@@H](C2)C3=O 587425553 DYDXSPAUAHGENL-CCLHPLFOSA-N 427.475 5.634 10 1 IKCF COc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587752631 SMVCDKZGQGEXOL-JCQPUDPBSA-N 443.360 5.628 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)cc2O)N1 587808151 NIMZQVJPTFUCKN-FATZIPQQSA-N 442.328 5.496 10 1 IKCF COC(=O)[C@@H](C)c1ccc(-c2ccc(O)c(CN(C)Cc3ccccc3OC)c2)c(F)c1 1857615024 JDOGGTZPLIYCST-KRWDZBQOSA-N 437.511 5.115 10 1 IKCF COc1cccc(-c2cc(-c3[nH]c4cc(O)nc(O)c4c3C)nc3c2oc2ccccc23)c1 587362403 GWDXVTCVZDJHEL-UHFFFAOYSA-N 437.455 5.920 10 1 IKCF Cc1cccnc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587580719 ZEPXMZUXAHCRND-RCZVLFRGSA-N 426.472 5.206 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)cc2Cl)N1 587696113 PJSMVMNDRVOYFJ-ZSEKCTLFSA-N 437.784 5.856 10 1 IKCF O=S(=O)(O)c1cc(O)c(/N=N/c2c(O)c3ccccc3c3ccccc23)c2ccccc12 13864580 ZDOBEKNLUMBDCZ-OCEACIFDSA-N 444.468 6.220 10 1 IKCF Cc1onc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)c1COc1ccc(Cl)cc1 587076384 RVEMMYCQASDDCU-UHFFFAOYSA-N 446.894 6.133 10 1 IKCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(Cc4ccccc4Cl)c4ccccc14)[C@@H](C2)C3=O 587419981 OETZJARWSHTTHP-CCLHPLFOSA-N 443.930 6.149 10 1 IKCF COc1cc2c3c(c1)O[C@@](CSc1ncc(C)s1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587450847 LEVSSOQIELNDNH-JTSKRJEESA-N 443.977 5.549 10 1 IKCF COc1ccc(N(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC 59298096 JSTDCLXPZLUQML-VWLOTQADSA-N 426.557 5.055 10 1 IKCF O=S(=O)(Nc1cccc2ccccc12)c1ccc(NCc2cccc(Cl)c2O)cc1 103266576 KKGIUYYXEXKXSZ-UHFFFAOYSA-N 438.936 5.612 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(NC(C)=O)cc3)c1C)CC2=O 587472267 ZORCJIZAIUFGND-RUZDIDTESA-N 432.520 5.417 10 1 IKCF COc1c(-c2ccc(O)c(O)c2)oc2c(CC=C(C)C)c3c(cc2c1=O)C=CC(C)(C)O3 14584383 TVRDYVMRUJAIJL-UHFFFAOYSA-N 434.488 5.573 10 1 IKCF biogenic Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(F)c3[nH]1)[C@H]1CC=C[C@H]21 587275534 DQRRRJGFSWHMLE-PZROIBLQSA-N 443.276 5.508 10 1 IKCF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 587733280 LFJNCRHLDOLHAH-VERVWZFWSA-N 431.324 5.758 10 1 IKCF CCCCOc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1Br 587787123 ZVUUNVQZBUOARB-WAYWQWQTSA-N 433.302 5.095 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 587824256 VUOZRZMVLFPJCD-SPSFWMDKSA-N 444.344 5.059 10 1 IKCF COc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 587578764 RSSOORHZOFOJCB-IGKIAQTJSA-N 441.483 5.511 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 587822139 LHUIEAQCQVTMMP-JCQPUDPBSA-N 440.312 5.397 10 1 IKCF CC[C@@]1(c2ccc(Br)cc2O)c2ccsc2CCN1Cc1cccnc1 962992484 GUJRFIDMNXAMEE-OAQYLSRUSA-N 429.383 5.323 10 1 IKCF COc1ccc(CN2CCC[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C2)c(O)c1 45187599 GZVODVRGEGKWRE-XMMPIXPASA-N 439.502 5.450 10 1 IKCF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 587735806 QHGZSBRZPDPVEG-YTEVENLXSA-N 431.324 5.758 10 1 IKCF CN(C)c1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1 1772587980 HQOZYKKYKGCRQZ-UHFFFAOYSA-N 425.326 5.346 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@](CSc1ncc(C)s1)(c1ccc(Cl)cc1)O2 587415384 ZPWNJEQILMPDTE-OAQYLSRUSA-N 430.982 5.649 10 1 IKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cc(Cl)ccc4Cl)c1C)[C@@H](C2)C3=O 587420182 GOUFSRKHDFKFSK-SBUREZEXSA-N 428.315 5.898 10 1 IKCF O=C(O)[C@H]1CCCN(CCC/C=C/c2cccc(/N=N/c3cccc4ccccc34)c2)C1 1857631639 OPYYBKVZCIOLEP-ZRPVOMJVSA-N 427.548 6.845 10 1 IKCF CC(=O)Nc1ccc(O)c(CN(CCCNc2ccnc3cc(Cl)ccc23)C(C)C)c1 29135560 CWZXIVXPDZXTIT-UHFFFAOYSA-N 440.975 5.265 10 1 IKCF CO[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@H](OCc2ccc(Cl)cc2)[C@H]1N=[N+]=[N-] 105481007 NBKQFQWEPBVLEY-YSTOQKLRSA-N 438.311 5.146 10 1 IKCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(OC(C)C)c(Cl)cc2Cl)cc1 587943126 MVNCGMPJEQMDPE-UHFFFAOYSA-N 448.346 6.264 10 1 IKCF CCN1/C(=C/c2sc3ccc(-c4ccccc4)cc3[n+]2CCO)C=Cc2ccccc21 20806133 LNMINARXXMDMIZ-UHFFFAOYSA-N 425.577 5.742 10 1 IKCF Fc1ccc(/N=N/c2ccc(NC[C@@H]3CCCN4CCCC[C@H]34)c3c2CCCC3)c(F)c1 32011119 JKLNRWVAVBOHED-PJNPWKEYSA-N 438.566 6.935 10 1 IKCF Oc1cc(-c2nc(Nc3ccc(OC(F)(F)F)cc3)c3ccccc3n2)cc(O)c1O 58592004 IRASDTREQJUPRQ-UHFFFAOYSA-N 429.354 5.056 10 1 IKCF CN(C)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 103903588 ZRQOKDHITPZJJW-RUZDIDTESA-N 429.564 5.955 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(Cc3ccccc3F)c3ccccc13)CC2=O 587467277 QIAFKQWFAHBSQA-AREMUKBSSA-N 443.518 6.502 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 587575197 DJNUVCYXAPJKLV-SHQCIBLASA-N 425.484 5.811 10 1 IKCF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 587703441 YODCPWYLHGHFEZ-VERVWZFWSA-N 447.779 6.273 10 1 IKCF CCn1c(/C=C/C=C2\[C@H]3C=CCc4cccc(c43)N2C)[n+](CC)c2nc3ccccc3nc21 29471518 GXPDPWYDMBKQED-HXUWFJFHSA-N 434.567 5.155 10 1 IKCF O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@H]1c1cc(F)ccc1O 71333656 UEKKBQYUBLZVCB-FQEVSTJZSA-N 444.491 5.041 10 1 IKCF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1Cl 587702516 ZWLQFDVGMQRZGC-YTEVENLXSA-N 447.779 6.273 10 1 IKCF CN(C)c1ccc(/C=C/CN2CCc3cc(Cl)c(O)cc3[C@@H](c3ccccc3)C2)cc1 3810259 WNLBCBQNLPTEAJ-ZHBSTKLQSA-N 432.995 5.815 10 1 IKCF CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N1CCSCC1 101797962 HNTBTBKIEMVPFX-VXPUYCOJSA-N 432.376 5.176 10 1 IKCF N#Cc1cccc(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)c1 223771087 SHWAGTXENLTLCB-CYYJNZCTSA-N 429.461 5.018 10 1 IKCF Oc1ccc2c(c1)CCN(c1ccccc1)[C@H]2c1ccc(N2CCN3CCCC[C@H]3C2)cc1 253640526 ZGHFWBDHZZKWSI-WNJJXGMVSA-N 439.603 5.219 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4nnc5n4CCCCC5)n3)c2C)c1 587924371 UZHPRZUXXVQBFK-UHFFFAOYSA-N 449.649 5.848 10 1 IKCF COc1cccc(-c2csc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccccc3O)n2)c1 1857569728 AJOKYPUUKHXYKB-QHCPKHFHSA-N 445.519 6.019 10 1 IKCF Oc1cc(-c2nc(NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc(O)c1O 58650431 KJFKTLDWAWVLEC-UHFFFAOYSA-N 428.275 5.333 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(Br)c3[nH]1)[C@H]1CC=C[C@H]21 587276881 ONEOIELMNAQQOQ-PZROIBLQSA-N 443.276 5.508 10 1 IKCF O=C(O)c1cccc2c(-c3ccc4ccccc4n3)c(-c3ccc(C(F)(F)F)cc3)[nH]c12 587637195 DFWUXFFKLDTXAF-UHFFFAOYSA-N 432.401 6.767 10 1 IKCF Cc1ccnc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587750061 GGLNARIZBBMJDW-DMZKTXOQSA-N 428.349 5.323 10 1 IKCF O=C(NCc1ccc(N2C[C@H]3CCCC[C@H]3C2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 1857762272 FWPOILGZDWMZJB-CALCHBBNSA-N 447.457 5.170 10 1 IKCF Cc1ccc([C@@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2cccs2)cc1 299840880 ZXEXMIKIIKYQLO-SFHVURJKSA-N 441.350 5.516 10 1 IKCF O=C(c1cccnc1)N1N=C(c2ccc(O)cc2)C[C@@H]1c1ccc(OCc2ccccc2)cc1 1772627943 UEIDVONTNVXHMU-HHHXNRCGSA-N 449.510 5.358 10 1 IKCF Ic1ccccc1N=Nc1ccccc1I 2356847711 OZAQVWKNGVHLMG-UHFFFAOYSA-N 434.018 5.311 10 1 IKCF Cc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 103243373 IRAFDIOSDFQALB-BKUYFWCQSA-N 448.569 5.194 10 1 IKCF COc1ccccc1Oc1c(Cl)cccc1-n1c(C)ccc1-c1ccc(SC)cc1 587941643 QUPWASDSVXBHRT-UHFFFAOYSA-N 435.976 7.629 10 1 IKCF CC(=O)OC1CCN([C@H](c2ccc(Cl)c(Cl)c2)c2c(O)ccc3ccccc23)CC1 72142789 FTSGUKNYQIHBPQ-XMMPIXPASA-N 444.358 5.969 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)CC2=O 587465313 HEVLKGDZGSHKRD-QHCPKHFHSA-N 441.474 6.060 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 587710402 GFCWCSAGRRXRKY-MGNBDDOMSA-N 431.271 5.297 10 1 IKCF O=C1/C(=C\c2cccn2Cc2ccccc2)c2ccccc2N1c1c(Cl)cccc1Cl 1857639424 MGVZMNSMZLHUKO-PGMHBOJBSA-N 445.349 7.062 10 1 IKCF Cc1ccc(O)c(CN2CCC[C@H](COC(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1 45210094 SZISNXWNKXTRNA-FQEVSTJZSA-N 437.530 5.997 10 1 IKCF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(=O)C(=O)c3ccccc3)cc1)CC2=O 587491653 XYBXTFLNHZEUDX-MHZLTWQESA-N 428.484 5.291 10 1 IKCF Cc1[nH]n(-c2nc3ccc(Cl)cc3s2)c(=O)c1/N=N/c1ccc(Br)cc1 169330585 FLCZNBUDAQHNNS-QURGRASLSA-N 448.733 5.915 10 1 IKCF CC(=O)Nc1cc(NC[C@@H](C)O)c(Cl)cc1/N=N/c1ccc([N+](=O)[O-])cc1Cl 31273310 ZUPIQBGINDIKCE-RPXOSWPASA-N 426.260 5.068 10 1 IKCF COc1ccc(-c2nc(NCc3cc([N+](=O)[O-])ccc3O)sc2Cc2ccccc2)cc1 299828389 VBDHEMFIJWNCSE-UHFFFAOYSA-N 447.516 5.635 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc21 587077370 WBRFTIOQSWTROQ-UHFFFAOYSA-N 435.870 5.721 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Oc4ccccc4)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587277239 REOYTROLERXFQP-FHAGJXEFSA-N 438.487 6.398 10 1 IKCF Cc1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(C)n1-c1ccccc1F 587921871 DFNVVWQZSDUDOA-UHFFFAOYSA-N 431.536 6.372 10 1 IKCF CC[C@@]12CCC[C@]13CC(c1cc(O)c(O)c4c(O)cccc14)=Cc1cc(O)c(O)c(c13)CC2 2356357837 WCBHOXUQEIWNHJ-WUFINQPMSA-N 444.527 6.076 10 1 IKCF Cc1ccc(/C(O)=C/c2nc3ccc([N+](=O)[O-])cc3nc2/C=C(\O)c2ccc(C)cc2)cc1 103521691 NMFAWSNZMBACCX-CPZPTNFUSA-N 439.471 6.267 10 1 IKCF CCCC(Br)(CCC)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586970855 KMYSNPPIWLYBLG-UHFFFAOYSA-N 425.326 5.529 10 1 IKCF Cc1cc(Br)cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587679804 ODSBTYWXIUBEQF-XTZNXHDOSA-N 443.154 5.162 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(N)cc4Cl)n3)c2C)c1 587924312 RIACBPISPLZZAF-UHFFFAOYSA-N 426.010 6.842 10 1 IKCF CC[C@]1(c2cc(F)ccc2O)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961772156 AFMAQFRLCZHZBE-RUZDIDTESA-N 426.532 5.336 10 1 IKCF O=C(Nc1cccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)c1)OCc1ccccc1 1772632109 OAARVBMNOLRHMU-UHFFFAOYSA-N 433.489 5.714 10 1 IKCF Cc1cc(O)c(O)c2c1O[C@@]1(C2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]21C 238744157 HJSZCMVJNUBOQM-ORRJIHMZSA-N 428.613 5.730 10 1 IKCF O=C(O)[C@@H]1CCCN(CCOCCc2ccc(/N=N\c3cccc4ccccc34)cc2)C1 299835443 WCBYBFHLMDMYRW-MWHYSOGASA-N 431.536 5.611 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)cc2)cc1 587196845 YSQDPYWDAWPHMC-UHFFFAOYSA-N 425.471 6.036 10 1 IKCF Cc1cc2ncn(CCc3nc(-c4cc(C)n(-c5ccccc5F)c4C)cs3)c2cc1C 587922047 HZDZBRPYFHBTOT-UHFFFAOYSA-N 444.579 6.566 10 1 IKCF COc1ccc(-c2ccc(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)cc2)cc1OC 587929247 UCJCGJPHCNNPKB-UHFFFAOYSA-N 437.499 6.289 10 1 IKCF COc1ccc2c(c1OC)[C@@H](c1cc(C)n(-c3ccc(F)c(F)c3F)c1C)N(C)[C@H](C)C2 962575220 VTELWIUIVDIYMV-YEBMWUKDSA-N 444.497 5.494 10 1 IKCF COc1cc2c(c(O)c1C/C=C(\C)CCC=C(C)C)CN(CCc1ccc(O)cc1)C2=O 1772614664 FLSSXXIBSVDSKS-UFWORHAWSA-N 435.564 5.540 10 1 IKCF CC[C@H](C)CCCCCCCCCCCCCCCCOC(=O)c1cccc(O)c1O 64491845 PXSMFASSTNYNAH-QHCPKHFHSA-N 434.661 8.152 10 1 IKCF biogenic CC/C=C\C/C=C\C/C=C\C=C/C/C=C\C/C=C\CCC(=O)NCCc1ccc(O)c(O)c1 66112650 JICJSIWGIYQGAO-MBMMKWFLSA-N 449.635 6.844 10 1 IKCF CCCc1c(O)ccc2c1OC1(CCN(c3ccc(OC(F)(F)F)cc3)CC1)CC2=O 587464343 OKCNYBCUUWBNRF-UHFFFAOYSA-N 435.442 5.248 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C 587754653 ZTRSEZKNSABBCV-OWJWWREXSA-N 441.388 6.236 10 1 IKCF O=C(CSc1nc2ccccc2o1)N=Nc1c(O)[nH]c2ccc(Br)cc12 617960038 BIYNRXXPWPKGSD-UHFFFAOYSA-N 431.271 5.180 10 1 IKCF CC[C@@H](C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2cc(C(C)(C)OC)oc12 14616138 PSBCHGQXBPONOM-CQSZACIVSA-N 434.488 6.022 10 1 IKCF biogenic CCC[C@H](CC)c1c(O)c(O)c([C@H](CC)CCC)c([C@H](CC)CCC)c1[C@H](CC)CCC 299814555 MERZOBJQFOCPRA-YCAMKHIRSA-N 446.760 10.273 10 1 IKCF CCC[C@@]12C[C@@H](O[C@H](C)[C@@H]1O)c1ccc3c(c1N2)C(=O)c1ccc2cc(C)ccc2c1C3=O 2356704023 FRAARNLUWMVPMQ-KFVHNXCMSA-N 441.527 5.099 10 1 IKCF COc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1C(=O)CCc1ccc(O)c(O)c1 13340432 OPTNSSIVXUBMMA-CAOOACKPSA-N 440.536 5.568 10 1 IKCF COc1ccc(C[C@H](C)NCCC=C2c3ccccc3CCc3ccccc32)cc1OC 84651498 VZIBRUDXJSKHCO-NRFANRHFSA-N 427.588 5.845 10 1 IKCF CSC(=S)NCc1cc2c3ccccc3n(C)c2c(-c2ccc(C(F)(F)F)cc2)n1 474609703 SUEBLOMIXGMJSC-UHFFFAOYSA-N 445.535 6.150 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C 587752061 PVOJGOCBVUAIGS-MYYSRTQBSA-N 441.388 6.236 10 1 IKCF COc1cc2c(cc1F)N(Cc1ccccc1)C[C@@H](C)N(C(=O)Nc1cccnc1)[C@H]2C 1772600506 QLYUDMMUUNLMPP-MSOLQXFVSA-N 434.515 5.233 10 1 IKCF CN1OC[C@@H]2CN(Cc3ccc(Cl)cc3)[C@H](c3ccc(N4CCCCC4)cc3)C[C@@H]21 72134047 UPOCKOWHFKHEJF-TUSQITKMSA-N 426.004 5.139 10 3 IKCF CCN(CC)c1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccco4)CC(O)=C32)cc1 104035937 QLFRXGMVCPLNMJ-XHCCPWGMSA-N 427.548 6.755 10 1 IKCF CN1/C(=C/C=C/C2=[N+](CCC[N+](C)(C)C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 299844577 HBVTVHMGVIZTHP-UHFFFAOYSA-N 443.679 6.027 10 1 IKCF FC(F)(F)Oc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Cl 587078168 JQMYMUCRIWPTEY-PISHQANHSA-N 440.252 6.595 10 1 IKCF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F 963221867 BFBNUQZCWKUIJB-LMKMVOKYSA-N 436.483 5.094 10 1 IKCF CC(C)=C[C@@H]1Oc2cc(O)c(O)cc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)C=C4 13373178 SUXAIEIHGDSOAY-IBGZPJMESA-N 434.444 5.161 10 1 IKCF biogenic C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)ccc2O)N1 587804974 GDYMNKIIGNXXNN-FATZIPQQSA-N 442.328 5.496 10 1 IKCF c1ccc([C@H]2CC[C@@H](N3CCN(c4ccc(/N=N\c5cccnc5)cc4)CC3)CC2)cc1 1857562967 OCYGALWUHYTNJB-YYXOMMFRSA-N 425.580 6.345 10 1 IKCF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc(N2CCOCC2)cc1)c1ccccc1 218448353 WEMHSPZIGQIFCC-CIBXRSJISA-N 439.555 5.990 10 1 IKCF CC(=O)c1ccc(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)cc1 586881492 XEABHQFMXUEYGB-UHFFFAOYSA-N 442.474 5.875 10 1 IKCF Clc1cc(/C=C/c2ccc(N3CCN(CC4CC4)CC3)cc2)cc(Cn2ccnc2)c1 1857764914 MXEGCVIDOQGULP-DAFODLJHSA-N 432.999 5.287 10 1 IKCF CCN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(O)cc3)cc2)CC1 1857605731 LOYWLAIOPICKCI-ZQHSETAFSA-N 442.603 5.266 10 1 IKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Cl)c1Cl 587506826 PLZSGCUERYSWEP-HSZRJFAPSA-N 440.370 6.986 10 1 IKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 587570924 MTNXHWBOZMKVCF-ZEQKJWHPSA-N 429.447 5.642 10 1 IKCF CCCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1cc(OC)ccc1O 36474059 LMPPYFMKMWPFIG-UHFFFAOYSA-N 427.976 5.707 10 1 IKCF CC(C)C[C@@H]1CC(c2ccc(O)c(O)c2)=Cc2c1cc(O)c(O)c2CCc1ccccc1 85569222 SHYQKTUMPHRKNN-OAQYLSRUSA-N 430.544 6.368 10 1 IKCF biogenic,in-vitro CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(N)c([N+](=O)[O-])c4)n3)c2C)c1 587924445 YUJHMQSIMUYUGO-UHFFFAOYSA-N 436.562 6.097 10 1 IKCF Oc1cccc(CCc2ccc(Oc3c(O)c(O)cc4ccc5cc(O)ccc5c34)cc2)c1 1857552827 HXEYVASNWFLGQY-UHFFFAOYSA-N 438.479 6.393 10 1 IKCF Cc1cc2c(c(=O)o1)C=C1CC[C@H]([C@H](C)CNCc3c(O)ccc4ccccc34)C[C@@H]1O2 95555639 PMIMUODJLVCWDZ-GSQWSPMESA-N 431.532 5.177 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)[C@H]1CC=C[C@@H]21 587277307 SLYOJULHLUYWJL-TWKFVSLJSA-N 448.486 5.702 10 1 IKCF COCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(C(F)(F)F)cc2)c1C 40407779 UBIIPLVJLRUEQK-UHFFFAOYSA-N 437.483 5.064 10 1 IKCF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@@H]3C=CC[C@H]3[C@@H](C(=O)O)N4)nc3cccc1c23 587106678 MURGXLPNHCBWMU-XRYQAYHESA-N 444.490 5.652 10 1 IKCF Cc1ccc(-c2ccc(-c3nc(-c4cc(C)n(-c5ccccc5F)c4C)cs3)cc2)cc1 587922790 WGSHIANWJRBMAT-UHFFFAOYSA-N 438.571 7.999 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(C)c3[nH]1)[C@@H]1CC=C[C@@H]21 587271436 CEIMCUHOPZSCFR-JZKQVHKSSA-N 439.313 5.677 10 1 IKCF CC[C@@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587676592 FNLIFZWIVSLKFH-YPMLDQLKSA-N 443.154 5.244 10 1 IKCF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 587704115 SGTYNTOLMAJBFR-AMXDTQDGSA-N 447.779 6.273 10 1 IKCF Cc1ccccc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587750954 KSPYRNSCJSQOTB-LFVRLGFBSA-N 427.361 5.928 10 1 IKCF CC[C@]1(c2cc(Cl)cc(Cl)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587691593 GXJMLJHFCVEVDC-DYBLOJMWSA-N 433.148 5.788 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(NC(C)=O)cc4)n3)c2C)c1 587924261 OVMQLMREWBEWGG-UHFFFAOYSA-N 433.602 6.565 10 1 IKCF CCCSC(=S)c1c(-c2ccc(Br)cc2)nn(-c2ccccc2)c1O 1857766544 JPEWRWMEKFVLGX-UHFFFAOYSA-N 433.396 5.826 10 1 IKCF Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3ccccc3nc2c1C 27728269 SYJDGAPDOGHJCN-UHFFFAOYSA-N 434.565 5.186 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1cccc(F)c1)CCC2(C)C 84687582 NISHFOFTSDPIEL-SFHVURJKSA-N 432.447 5.743 10 1 IKCF O=C1NC(=S)S/C1=C\c1cc2ccccc2cc1OCc1c(F)cccc1Cl 36184601 HLMCXBXZLODHBC-GRSHGNNSSA-N 429.925 5.700 10 1 IKCF CCCN(CCC)CCCC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 45193913 ZUJUVPIJKVSMIF-IBGZPJMESA-N 442.047 7.143 10 1 IKCF CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccccc3)ncnc21 82178369 WDYNFJAQTNOTQO-HXUWFJFHSA-N 440.595 5.752 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccccc1F)CCC2(C)C 84703658 MUMFCUHBCQENQU-LJQANCHMSA-N 446.474 5.672 10 1 IKCF CCCN(CCCCNc1ccnc2cc(Cl)ccc12)Cc1cccc(OC)c1O 36474194 BSJPOHQJMGQRJX-UHFFFAOYSA-N 427.976 5.707 10 1 IKCF CN1c2ccccc2C(=O)N2CCc3c(n(Cc4ccccc4Cl)c4ccccc34)[C@H]21 64436826 SKNXCPPIOMWSRW-VWLOTQADSA-N 427.935 5.490 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)cc2Cl)N1 587694593 MHSLVGYSEXTNKC-ZSEKCTLFSA-N 437.784 5.856 10 1 IKCF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 587703439 YODCPWYLHGHFEZ-AMXDTQDGSA-N 447.779 6.273 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)ccc2O)N1 587735575 XWDSFUBIAGJCNL-DMZKTXOQSA-N 430.292 5.259 10 1 IKCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1C[C@H]2Sc1ccccc1 49785559 FZMWXQWBAOROPN-BVFVYWQFSA-N 440.605 6.607 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)[C@H]1CC=C[C@@H]21 587272589 VROAVIUOHYXHSN-VBHSOAQHSA-N 448.832 6.278 10 1 IKCF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(C)C 587756916 SVIQXJIQKAKKOK-QKFKETGDSA-N 429.377 6.131 10 1 IKCF CN(C)c1ccc(/C=C\[C@@]2(c3ccccc3)NCCc3cccc(-c4ccccc4)c32)cc1 962667322 NOJMQVJBXRLXCB-NRDJPMHRSA-N 430.595 6.522 10 1 IKCF CC=C1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@@H]1CC1=NCCc2c1n(C)c1ccccc21 2356720732 IAEJNNUOVAJFBH-WTYVLRPYSA-N 448.614 5.961 10 1 IKCF CNc1cc(NC(=O)OC)ccc1Nc1c2ccc(Cl)cc2nc2c(OC)cccc12 29340614 LSKBZSLJZILHJF-UHFFFAOYSA-N 436.899 6.014 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1cc(C)n3-c1cccc(C(F)(F)F)c1)O2 587382060 NASDDZNDOBSQHO-XMMPIXPASA-N 440.465 5.892 10 1 IKCF CS[C@@]12c3cc(C)n(-c4ccccc4)c3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 1862064 UWXXNCLSFKTBBZ-ZEQKJWHPSA-N 432.589 5.174 10 1 IKCF C[C@@H]1CC/C(=C\c2ccc(N(C)C)cc2)C2=C1[C@@H](c1ccc(N(C)C)cc1)NC(=S)N2 5581498 QVQJIPZPBHGBJF-MMZPKYCFSA-N 432.637 5.105 10 1 IKCF CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(NC)c1 27198800 LEXFOKPQTAXAPC-UHFFFAOYSA-N 448.592 6.105 10 1 IKCF CCN(CC)C(=O)c1ccc2nc3ccccc3c(NCCc3c[nH]c4ccccc34)c2c1 28571750 NBPYMGJNNOAJCR-UHFFFAOYSA-N 436.559 6.006 10 1 IKCF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@H]2N(C)c1ccc(OC)cc1C 40413762 JPGZXIYEXVGIKX-AREMUKBSSA-N 444.619 6.713 10 1 IKCF NC(=O)c1cccc(Nc2nccc(Nc3ccc(Oc4cccc5ccccc45)cc3)n2)c1 45334740 XUCGMVZVCKIERH-UHFFFAOYSA-N 447.498 6.008 10 1 IKCF COc1ccc(-c2ccc(O)c([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 587806354 IAPGUHYHAKKDFA-ZAMGYDSWSA-N 442.328 5.593 10 1 IKCF COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587806775 JINJLVDRQZLXDA-LFVRLGFBSA-N 442.328 5.129 10 1 IKCF Cc1ccc(N(Cc2cc(Br)ccc2O)C(=O)Nc2ccccc2)c(F)c1 653723257 IPBHVMPTYBAQEV-UHFFFAOYSA-N 429.289 5.841 10 1 IKCF Oc1ccc2ccccc2c1C1=NN(c2ccccc2)[C@@H](c2ccc(Br)cc2)C1 28527309 RQCCHCCWKWFKBM-HSZRJFAPSA-N 443.344 6.664 10 1 IKCF CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]12 587529382 AZCFXPXCSGMMHA-ZJGIAAPESA-N 446.587 6.325 10 1 IKCF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(=O)c1cccc(C)c1)c1ccc(C)cc1O 963244984 ZDPJMCXUCOMTHF-KPURRNSFSA-N 427.588 6.182 10 1 IKCF CC[C@]12CCC[C@]13CC(c1cc(O)c(O)c4c(O)cccc14)=Cc1cc(O)c(O)c(c13)CC2 2356357833 WCBHOXUQEIWNHJ-VSGBNLITSA-N 444.527 6.076 10 1 IKCF COc1cc2c(/C=C3/C(=O)Nc4ccc(Br)cc43)c(Cl)n(C)c2cc1C 58564028 RHXAZNRSVNENCZ-OVCLIPMQSA-N 431.717 5.404 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccnc(OCC5CC5)c4)n3)c2C)c1 587924092 DTLAYIJANXKXQJ-UHFFFAOYSA-N 447.629 6.790 10 1 IKCF Clc1cc(/C=C/c2ccc(N3CCN(C4=NCCO4)CC3)cc2)cc(-c2ccncc2)c1 1857636845 NGGFYUPEXGIRCT-OWOJBTEDSA-N 444.966 5.081 10 1 IKCF [N-]=[N+]=NC[C@H](F)Cn1c2ccc(Br)cc2c2cc(Br)ccc21 169347605 SOBFAGNLHLASBP-NSHDSACASA-N 426.087 5.968 10 1 IKCF O=c1oc2ccccc2cc1-c1csc(/N=N/Cc2cccc(Br)c2)n1 169693508 WPAYSQMLGNYIAS-XTQSDGFTSA-N 426.295 5.963 10 1 IKCF COc1ccc(-c2cc3c(n2-c2c(N)cccc2Br)CC(C)(C)CC3=O)cc1 587936476 JJZYPKWAGJZYNC-UHFFFAOYSA-N 439.353 5.653 10 1 IKCF COc1cc(O)cc(Cn2c3c(c4ccccc42)CCN(Cc2ccccc2)C3=S)c1 653821658 IVOQLYVNKIOGJS-UHFFFAOYSA-N 428.557 5.138 10 1 IKCF O=C(O)[C@@H]1CCCN(CCC/C=C/c2ccc(/N=N/c3cccc4ccccc34)cc2)C1 1857631734 NGTAWFALOMYQOB-LQCVPAICSA-N 427.548 6.845 10 1 IKCF CCN(CC)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 27206355 DFYFPLVITFARID-UHFFFAOYSA-N 434.565 5.349 10 1 IKCF Cc1cc(Br)cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587679807 ODSBTYWXIUBEQF-YPMLDQLKSA-N 443.154 5.162 10 1 IKCF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1F 587725154 NWNVZMXRFUDKST-RKFFSXRUSA-N 449.314 5.898 10 1 IKCF Cc1ccc(C)n1-c1ccc([C@@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962663134 JIMIHTMGAOLOIQ-NSOVKSMOSA-N 439.559 5.004 10 1 IKCF Oc1ccccc1CNCCCCCCCCCNc1c2c(nc3ccccc13)CCCC2 95560078 DHSGJXAHIBZFFJ-UHFFFAOYSA-N 445.651 6.752 10 1 IKCF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(CCC(=O)O)ccc1-c1ccccc1 587944189 ZNHFGEKEASIMDJ-UHFFFAOYSA-N 447.260 5.280 10 1 IKCF COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c2c1C[C@H]1C(C)(C)CCC[C@@]1(C)O2 14825121 DVUORASKJFBCTF-BKMJKUGQSA-N 436.504 5.400 10 1 IKCF biogenic,in-vitro O=C(c1ccccc1Oc1ccccc1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71294311 ZXFOPKJCYUZUSJ-DEOSSOPVSA-N 435.483 5.571 10 1 IKCF CN(C)c1ccc([C@H](CC(=O)c2cc3ccccc3o2)Nc2ccc(C(=O)O)cc2)cc1 103170283 IQRQIJBAOPJXAM-QFIPXVFZSA-N 428.488 5.623 10 1 IKCF Cc1cc2c(n1-c1cccc(Cl)c1)C[C@H](C)C[C@]21c2c(F)cccc2C[C@@H]2CCCN21 963101979 JUVVGQAZCGRCJK-SJQPRBQBSA-N 434.986 6.425 10 1 IKCF CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC3CCCCCC3)ncnc21 82190569 HNKVINHEWNTAAP-UHFFFAOYSA-N 446.643 6.418 10 1 IKCF CC[C@H](C)c1ccc2[nH]c(-c3cc(C)n(-c4ccc(F)cc4)c3C)c(N3CCCC3)c2c1 587643483 UTEHLSSCZOMMMQ-SFHVURJKSA-N 429.583 7.495 10 1 IKCF Cc1cccnc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587580725 ZEPXMZUXAHCRND-WIOPSUGQSA-N 426.472 5.206 10 1 IKCF COc1ccc(/C=C2\SC(c3ccc(Oc4ccccc4)cc3)=NC2=O)c2ccccc12 84668399 DIMLAMBTNWWDQC-UQQQWYQISA-N 437.520 6.702 10 1 IKCF O=C(O)[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc(-c3ccccc3)c2)SC1=S 96923608 DTVHYSZDFZCNGR-YVUGPFRESA-N 445.565 5.251 10 1 IKCF CCCCc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 587924408 XBTOEEVHKHTLBZ-UHFFFAOYSA-N 432.658 7.949 10 1 IKCF Oc1ccc2cc1Oc1ccc(cc1)CCc1ccc(O)c(O)c1Oc1cccc(c1)CC2 14587010 BVVNNKLMNVFVGS-UHFFFAOYSA-N 440.495 6.272 10 1 IKCF biogenic CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc([N+](=O)[O-])cc2)cc1 53064464 VMQGVVBBBYRPKU-UHFFFAOYSA-N 431.580 6.467 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cc(C(=O)O)ccc3C)c1C)CC2=O 587470512 KONLKJJNOPTYJX-XMMPIXPASA-N 433.504 5.465 10 1 IKCF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F 587731790 ZYTANVQXLXCEOK-VERVWZFWSA-N 431.324 5.758 10 1 IKCF CCCN1[C@H](C)Cc2ccccc2[C@]12C=C(c1ccccc1)Oc1cc(O)c(OC)c(O)c12 963259037 QSIAGUYUIQOFRA-WRHNGFHOSA-N 443.543 5.440 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c21 587075720 JKNSPWAZVZSJJY-NRFANRHFSA-N 441.918 5.329 10 1 IKCF Cc1cc(Br)cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587679801 ODSBTYWXIUBEQF-MLCYQJTMSA-N 443.154 5.162 10 1 IKCF CCOc1ccc(-n2c(C)cc([C@H]3c4ccsc4CCN3Cc3cccn3C)c2C)cc1 962394814 BMYJDUFIUGFJRC-HHHXNRCGSA-N 445.632 6.041 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(SC(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@@H]21 587275753 GFYDXFUQAIGDPZ-TYILLQQXSA-N 446.454 6.218 10 1 IKCF COc1cc2c3c(c1)O[C@@]1(C[C@H]4C(C)(C)CCC[C@]4(C)c4cc(O)c(O)cc41)[C@@H](C2)C3=O 587451269 QVXPMJQTMHETGL-ULNOOQJYSA-N 434.532 5.237 10 1 IKCF CCN1CCC[C@@H]1CNC(=O)c1ccc(-n2c(-c3ccccc3)cc3c2CCCC3)cc1 6782024 CEQQLUCEEAWJQQ-RUZDIDTESA-N 427.592 5.237 10 1 IKCF COc1cc(NP(=O)(OC)OC)ccc1Nc1c2ccccc2nc2ccc(C)cc12 26001532 VEVJTKFCMMVUMI-UHFFFAOYSA-N 437.436 6.261 10 1 IKCF CN(C)c1ccc(-c2ccc(OCc3ccccc3)c(/C=C3\SC(=S)NC3=O)c2)cc1 36184606 YTPDZDCCIYWUQV-HAHDFKILSA-N 446.597 5.487 10 1 IKCF Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccccc1C(F)(F)F 64447295 IHRXFQPZBJSKHM-UHFFFAOYSA-N 434.502 6.159 10 1 IKCF CC(=O)Nc1sc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c1C(=O)O 587209137 KMYHOOFWTYGDSW-UHFFFAOYSA-N 428.469 5.140 10 1 IKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1F 587569659 SABHXRIJBDKCLL-BVAGGSTKSA-N 429.447 5.642 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)ccc2O)N1 587727636 BYFPHLUGJPCPHJ-WHEQGISXSA-N 430.292 5.259 10 1 IKCF Cc1ccc(O)c([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587821083 GOYKFPFGIRYFPI-IQMFZBJNSA-N 426.329 5.428 10 1 IKCF Cc1cc(C(N)=O)ccc1-n1c(CCC(=O)O)ccc1-c1ccc(-c2ccsc2)cc1 72123482 PFVBLRJGJPXPJC-UHFFFAOYSA-N 430.529 5.297 10 1 IKCF O=C(O)[C@@H]1CCCN(CCOCCc2cccc(/N=N\c3cccc4ccccc34)c2)C1 299825292 FNGCHACUJQEGMA-MWHYSOGASA-N 431.536 5.611 10 1 IKCF COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1 103919056 VAJLNVULQULABQ-PIIWDFAUSA-N 439.559 6.390 10 1 IKCF Cc1cc(Cl)ccc1O[C@H](C)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 103973944 CEUYNANJDQHLCM-OILIMCSSSA-N 436.693 5.676 10 1 IKCF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586972514 HPUOJIINPHYDSU-UHFFFAOYSA-N 434.521 6.261 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(F)cc3[nH]1)[C@@H]1CC=C[C@H]21 587277175 PYXMZSGLGPXIGL-CRTZDJKQSA-N 443.276 5.508 10 1 IKCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)cc1 587945293 LISUHMZEBYDRJV-UHFFFAOYSA-N 449.453 6.241 10 1 IKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccccc2)([C@@H](O)c2ccc(N(C)C)cc2)N1 962955102 RSJCYTQMGJWLFL-MHWRTBLVSA-N 425.576 5.135 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(Cc3ccc(C)cc3)c3ccccc13)CC2=O 587470264 JTNPVGKHUBBFIY-HHHXNRCGSA-N 439.555 6.671 10 1 IKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cccc(I)c3[nH]1)N2 587078221 LQMUGTIRSSTNNV-JKDFXYPNSA-N 447.707 5.647 10 1 IKCF CN(C)[C@@H](Cn1c(CCC(=O)O)ccc1-c1ccccc1)c1cccc(Br)c1 587939806 LRYJNILVMVQSQS-QFIPXVFZSA-N 441.369 5.238 10 1 IKCF O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 783639 OSJPWEILZQFNPI-UNOMPAQXSA-N 439.298 5.034 10 1 IKCF in-vivo C(=C/c1ccnc2ccccc12)\c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1 36381182 MDJFGVXWENVWGN-OBGWFSINSA-N 426.563 7.612 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@@H]21 587271366 BBDAFGLYNKHSKW-VFVRVIDISA-N 432.377 5.764 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(SC(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@H]21 587275748 GFYDXFUQAIGDPZ-KSMMKXTCSA-N 446.454 6.218 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4ccccc4c4ccccc4c3[nH]1)[C@H]1CC=C[C@@H]21 587276267 JWAPQXYRBROAKL-SWGGMNADSA-N 446.510 6.912 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c(C)c1 587574443 AXAJIKIPOWAIDG-LSYYVWMOSA-N 439.511 6.119 10 1 IKCF Cc1ccc(C)c(-c2csc(/N=N/[C@@H](C)c3cc4c(ccc5ccccc54)oc3=O)n2)c1 169686330 FHACJVAIQLPBRV-IWMHKECUSA-N 439.540 7.531 10 1 IKCF O=C1OC(c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)=N/C1=C/c1ccccc1 473158377 WFKQLHOIGOMWSN-TWPIZVIVSA-N 438.487 5.283 10 1 IKCF COc1ccc(-c2ccc(CCC(=O)O)n2CC[C@@H](c2ccc(F)cc2)c2ccco2)cc1 587946838 YUWBTNIMLSCXPJ-DEOSSOPVSA-N 447.506 6.135 10 1 IKCF CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(NC)c1 27202920 ICCYVIYOSYFYME-UHFFFAOYSA-N 434.565 5.715 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 587748226 SUZYBJFZVUDJSG-ASSNKEHSSA-N 448.336 5.110 10 1 IKCF CCCSCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2cccc(F)c2)c1C 1857587889 LMLALQZLGHMHLE-UHFFFAOYSA-N 431.598 5.681 10 1 IKCF COc1ccc(C2(Cc3ccc(O)cc3)C(=O)c3ccccc3C2=O)cc1OC1CCCC1 13781560 ZKKBPFFSXGWZMM-UHFFFAOYSA-N 442.511 5.282 10 1 IKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc(I)cc3[nH]1)N2 587078224 LQVRGCVAOHOPSR-JCGVRSQUSA-N 447.707 5.647 10 1 IKCF Cc1cccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587748604 AHDJGDANRADKJF-PSLXWICFSA-N 427.361 5.928 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(C(N)=S)c4)n3)c2C)c1 587924383 VRBOYMSZGVEXNP-UHFFFAOYSA-N 435.643 6.241 10 1 IKCF CC(C)[C@@H]1c2cc(O)c(O)cc2CCN1C(=S)NCCc1ccc(Cl)cc1Cl 1857611127 CQWWLKYKRWFXEX-HXUWFJFHSA-N 439.408 5.077 10 1 IKCF O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@H]1c1c(O)cccc1F 71334609 VIRQSHPZGPOTDW-IBGZPJMESA-N 444.491 5.041 10 1 IKCF CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/C(c1ccccc1)c1ccccc1 223774645 YNCKUVWUXFTUOR-HAVVHWLPSA-N 435.552 6.291 10 1 IKCF NC(=O)N[C@H](c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(O)ccc2ccccc12 98083982 SLIWXKPZOLACMU-AREMUKBSSA-N 434.499 5.156 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cccc(C(=O)OC)c3)c1C)CC2=O 587471752 UAHQWPVKYONBIW-XMMPIXPASA-N 433.504 5.245 10 1 IKCF Cc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(C(=O)O)cc1 587511759 INBBJMNQQWKPIX-MHZLTWQESA-N 429.516 5.552 10 1 IKCF O=C1OC(c2ccc3ccccc3c2)=C/C1=C\c1cc2ccc([N+](=O)[O-])cc2nc1Cl 1857562175 IOXUDGSKUIWYQM-YBFXNURJSA-N 428.831 5.931 10 1 IKCF CCCCCOc1ccc(C(=O)NCCc2ccc(N)cc2)cc1SCCCCC 13675395 DABRITKOKIJFLE-UHFFFAOYSA-N 428.642 6.093 10 1 IKCF COc1ccc(CCN(Cc2ccccc2)Cc2c(O)ccc3c(=O)cc(C)oc23)cc1 64479905 VSFJYHQLWUBCAC-UHFFFAOYSA-N 429.516 5.061 10 1 IKCF Nc1ccc(Oc2ccc3nc(CCc4nnc(-c5ccc(Cl)cc5)o4)[nH]c3c2)cc1 587077064 ROLAESOTUPBJDR-UHFFFAOYSA-N 431.883 5.426 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccccc4[N+](=O)[O-])o3)nc21 587265894 UQQCPRWQDBUSHL-UHFFFAOYSA-N 435.395 5.174 10 1 IKCF COC(=O)c1cccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c1 587924205 LOGCTEFCYYROPT-UHFFFAOYSA-N 434.586 6.393 10 1 IKCF O=C1NC(=S)S/C1=C\N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 653899368 IYAQBSFNAIOPDP-FNTDYBJHSA-N 434.373 5.134 10 1 IKCF Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc(N(C)C)cc3)c2)c1 103234695 RMNQJSGVCQSPSE-UHFFFAOYSA-N 436.559 5.423 10 1 IKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(F)c(F)c1F 587504600 JOYBXMMESZZKNQ-QFIPXVFZSA-N 425.450 6.097 10 1 IKCF O[C@@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1ccnc2cc(Cl)ccc12 28568293 AMZBWFJFFBAXHD-GOSISDBHSA-N 426.225 5.407 10 1 IKCF CC(=O)Oc1ccc(O)c(O)c1CC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 38514078 QUMFQHZIHBPZFC-DNVJHFABSA-N 448.688 8.031 10 1 IKCF biogenic CC(=O)c1ccc(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)cc1 223773718 JJDXCCKNIRZLJU-CYYJNZCTSA-N 446.488 5.349 10 1 IKCF CCCN(CCCCNC(=O)/N=N/c1cc(F)c(F)c(F)c1)C1Cc2ccccc2C1 474607775 JZRSBDBOBRIPIA-ZQHSETAFSA-N 432.490 5.557 10 1 IKCF COc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587752635 SMVCDKZGQGEXOL-ZAMGYDSWSA-N 443.360 5.628 10 1 IKCF CCOc1ccccc1-c1cccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587780595 VIECRNOHPOULRG-UHFFFAOYSA-N 444.490 6.071 10 1 IKCF COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587806777 JINJLVDRQZLXDA-QKFKETGDSA-N 442.328 5.129 10 1 IKCF COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1 103919059 VAJLNVULQULABQ-NGOKVRLYSA-N 439.559 6.390 10 1 IKCF Nc1ccc(Oc2ccc3nc([C@@H](NC(=O)c4ccccc4)c4ccccc4)[nH]c3c2)cc1 587217695 DPXKJCKUVKOZIA-VWLOTQADSA-N 434.499 5.457 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C\c2ccccc2)(c2ccccc2O)N1 587834100 QRRUSJABPQWWFV-DPSZWRRWSA-N 438.340 5.785 10 1 IKCF CCCC(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O 26937589 VRIJJOXNYAGHNL-UHFFFAOYSA-N 433.533 5.224 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c21 587048076 PYDIZLIOSYMHDL-POHAHGRESA-N 429.819 5.070 10 1 IKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(-c5cc(Cl)ccc5Cl)o4)nc3c2)cc1 587052059 WNLUCGWFSXQSJR-UHFFFAOYSA-N 436.298 7.171 10 1 IKCF CCOc1ccccc1[C@@](N)(c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(F)(F)F 587093369 TWLYNGJWCJGMIB-JOCHJYFZSA-N 442.441 5.101 10 1 IKCF COc1ccc(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)cc1O 587786697 PELLPNIMGKZESQ-UHFFFAOYSA-N 446.462 5.387 10 1 IKCF CC1CCN([C@H](c2cccc(Cl)c2)c2c(O)ccc3cc(Br)ccc23)CC1 653726707 ZPHLXHIWKZZTLH-HSZRJFAPSA-N 444.800 6.783 10 1 IKCF OCCC[C@@H]1CC[C@]2(CC(c3cc(O)c(O)c4c(O)cccc34)=Cc3cc(O)c(O)cc32)C1 2356368059 LOMAVZWOPVEFOI-YVORESIASA-N 448.515 5.123 10 1 IKCF CC(=O)Oc1ccc(O)c(O)c1CC[C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 38514080 QUMFQHZIHBPZFC-XPWALMASSA-N 448.688 8.031 10 1 IKCF biogenic O=C1NC(=S)S/C1=C\N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(F)cc1 299827544 GITXQDJZTRWDDZ-GAASDFDMSA-N 433.533 5.119 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C)c3[nH]1)[C@H]1CC=C[C@H]21 587271289 AHRDKTOREIIYQU-AVYPCKFXSA-N 439.313 5.677 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(CCNc4ccc(C)cc4)n3)c2C)c1 587924203 LNUVCUUCBTWKFM-UHFFFAOYSA-N 433.646 6.903 10 1 IKCF CSc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)c2C)cc1 963224283 BPCBSEWFWANOTD-RPBOFIJWSA-N 443.572 5.053 10 1 IKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(NS(C)(=O)=O)cc3)c2c1 26934952 OGFYTMQZCQHHBW-UHFFFAOYSA-N 427.913 5.165 10 1 IKCF COc1ccc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2c2ccc(Cl)cc2)cc1 96938907 DONQYHFHBSVNMI-XMMPIXPASA-N 428.919 6.563 10 1 IKCF COC(=O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)ccc1SC(=O)N(C)C 169334162 KTPCMFORWQTGEA-UHFFFAOYSA-N 434.561 5.583 10 1 IKCF Cc1cc2nc(N3C(=O)/C(=C/c4ccccc4S)N=C3c3ccccc3)sc2cc1C 6019475 MDFFNDPWTYNYSE-ZHZULCJRSA-N 441.581 6.036 10 1 IKCF O=C1C(Cc2ccccc2Cl)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 28521812 UNCWMEQDNIFBEQ-UHFFFAOYSA-N 445.733 5.801 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c21 587018121 VZFIDBBUDCEWAD-UHFFFAOYSA-N 449.491 5.064 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCCC3)cc2)N1 587769616 YQBFLURJKYXREB-HJPURHCSSA-N 431.393 5.766 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4ccccc4Cl)n3)c2C)c1 587924137 HKPXPCIIMJEDGX-UHFFFAOYSA-N 425.022 7.184 10 1 IKCF Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cc(N)cc(C(=O)O)c1 28819025 KSOLQCXBTAWVPC-UHFFFAOYSA-N 432.907 5.966 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(C[C@@H](C)n4cc(Cl)cn4)n3)c2C)c1 587924128 GTMGQKMPGIRNCL-CQSZACIVSA-N 443.041 6.593 10 1 IKCF CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cc(Cl)cc(Br)c3)c2C1 587940550 LVEKKWLNCJRQDX-UHFFFAOYSA-N 446.747 6.854 10 1 IKCF Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)c(/N=N/c2cccc(Cl)c2)s1 98084856 YBRBZAYJLNOMEC-BYYHNAKLSA-N 433.924 6.713 10 1 IKCF COc1cc(C/N=N/c2nc(-c3ccccc3)nc3c2cnn3-c2ccccc2)ccc1O 169685228 HOVQXKOACOZYIP-URGPHPNLSA-N 436.475 5.481 10 1 IKCF Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2cc(Nc3nccc(-c4cccs4)n3)ccc21 653812703 SUZJMSQJZBKXBA-DEDYPNTBSA-N 449.539 5.933 10 1 IKCF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586972610 IZMWJXBAFFJFRS-HSZRJFAPSA-N 432.549 5.048 10 1 IKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1F 587570369 WKFGGJSCYCYMRC-OZXSUGGESA-N 447.437 5.781 10 1 IKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2)([C@@H](O)c2ccc(N(C)C)cc2)N1 962955095 RSJCYTQMGJWLFL-AOLGGSBGSA-N 425.576 5.135 10 1 IKCF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F 587731789 ZYTANVQXLXCEOK-IPQOISQHSA-N 431.324 5.758 10 1 IKCF Cc1ccnc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587750065 GGLNARIZBBMJDW-XMHCIUCPSA-N 428.349 5.323 10 1 IKCF CCOc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587764083 BZAHGCZQZAJHAY-JLCFBVMHSA-N 433.365 5.211 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc([C@H](C)Cn4cc(Cl)cn4)n3)c2C)c1 587924449 YYZXKLMYOTUOPS-CQSZACIVSA-N 443.041 6.593 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C=C/c2ccccc2)(c2ccccc2O)N1 587834101 QRRUSJABPQWWFV-LNTNWRBDSA-N 438.340 5.785 10 1 IKCF COc1ccc([C@H](Nc2ncc(Cl)cc2C)c2ccc3cccnc3c2O)cc1OC 203772081 MVUOHRYXDQYLSF-NRFANRHFSA-N 435.911 5.516 10 1 IKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(Oc5ccc([N+](=O)[O-])cc5)cc4)nc3c2)cc1 587271785 ILRHXBJXVAFEKQ-UHFFFAOYSA-N 438.443 6.305 10 1 IKCF COc1cccc(-c2cc(-c3cccc(NC(=O)CN=[N+]=[N-])c3)nc3c2oc2ccccc23)c1 587361851 AUZINQGUMPVBBG-UHFFFAOYSA-N 449.470 6.572 10 1 IKCF CC[C@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587676853 GGTZHRLABBHENU-YPMLDQLKSA-N 443.154 5.244 10 1 IKCF CCCCN(CCCC)c1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587741584 ODWPYBGEMWAMSJ-BXKMTCNYSA-N 447.436 6.618 10 1 IKCF Cc1cc2c(n1-c1cccc(Cl)c1)C[C@H](C)C[C@]21c2c(F)cccc2C[C@H]2CCCN21 963101972 JUVVGQAZCGRCJK-NWBLWUIWSA-N 434.986 6.425 10 1 IKCF CC(=O)c1cccc2c(/N=N/c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccc(O)cc3c(O)c12 27521381 SXRWUGWJUQMCHC-WCWDXBQESA-N 446.375 5.839 10 1 IKCF COc1cccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)c1O 45334433 GFUIAZBDFWPOBU-UHFFFAOYSA-N 431.576 5.809 10 1 IKCF NCCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26844392 GURXRFIJKVJSRY-UHFFFAOYSA-N 434.565 5.002 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(Cl)cc2O)N1 587697812 PCNUTELCAGERFT-MCMMXHMISA-N 446.747 5.773 10 1 IKCF c1ccc([C@H]2CC[C@@H](N3CCN(c4ccc(/N=N/c5cccnc5)cc4)CC3)CC2)cc1 1857557991 OCYGALWUHYTNJB-VHIMCGPOSA-N 425.580 6.345 10 1 IKCF C[C@H]1N=C(c2ccccc2Cl)c2c(/N=N/c3c(F)cc(O)cc3F)cccc2NC1=O 29125481 STFRBXFBDMXLPE-UZQYBIKJSA-N 440.837 5.917 10 1 IKCF Oc1cccc(C=Cc2cc(O)c(O)c(Oc3ccc(CCc4cccc(O)c4)cc3)c2)c1 2356455892 KYOAASXKOPQPAF-UHFFFAOYSA-N 440.495 6.257 10 1 IKCF COc1ccc(-n2cnc3cc(NCc4ccc(CN5CCCCC5)cc4)ccc32)cc1 95583558 BEDAOIMFFKBIDJ-UHFFFAOYSA-N 426.564 5.632 10 1 IKCF Cc1cc(Br)cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587678166 JRQKRQYVCKLITQ-MLCYQJTMSA-N 443.154 5.162 10 1 IKCF Cc1ccc(O)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587820918 GBIGLFQNEVITOL-NPMXOYFQSA-N 426.329 5.428 10 1 IKCF COC(=O)c1ccc(-n2c(C)cc([C@H]3NCCc4cc(-c5ccccc5)ccc43)c2C)cc1 962668685 QHKHJMMZBYWMDR-NDEPHWFRSA-N 436.555 5.783 10 1 IKCF O=C1c2ccccc2C(=O)c2cc(C=Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)ccc21 2356304809 CGLDLDBFLNXMGE-UHFFFAOYSA-N 440.454 5.408 10 1 IKCF O=C1c2ccccc2C(=O)C1(c1ccccc1)C1(c2ccccc2)C(=O)c2ccccc2C1=O 1697965 PHJGSPFWJMKOIG-UHFFFAOYSA-N 442.470 5.021 10 1 IKCF Cc1csc(SCc2ccc(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)cc2)n1 587020848 FSESJCYAGXLOOI-UHFFFAOYSA-N 444.585 6.662 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(Br)c(C)c3)c1C)O2 587378989 YMUIZXXVRHOSHX-JOCHJYFZSA-N 439.353 5.762 10 1 IKCF Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccc(Cl)cc1Cl 36472083 HBHYJQVLDLPXLH-UHFFFAOYSA-N 435.395 6.447 10 1 IKCF C[C@H](NC(=O)c1ccns1)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149953117 ISQMYOAJROKHLL-KRWDZBQOSA-N 433.577 5.027 10 1 IKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(Cl)c1Cl 587506829 PLZSGCUERYSWEP-QHCPKHFHSA-N 440.370 6.986 10 1 IKCF Cc1cc([C@@H](NC(=O)COc2ccccc2)c2ccccc2Cl)c(O)c2ncccc12 40918418 ZFPLFDYMSDERSK-QHCPKHFHSA-N 432.907 5.187 10 1 IKCF CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc(N2CCCCC2)cc1)c1ccccc1 218460922 GHVVRDBAHDZAEU-WQRSJGRTSA-N 437.583 7.144 10 1 IKCF Cc1c(CNC2CCCCC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1Cl 1857615316 OASBHQRZKIIHPB-UHFFFAOYSA-N 447.837 7.835 10 1 IKCF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(C)[C@@H](C(=O)O)c2ccccc2)c(C)c1 13732501 UKUWMWGBWCUYLK-RUZDIDTESA-N 442.563 5.229 10 1 IKCF Oc1c([C@H](Nc2nccs2)c2cccc(OCc3ccccc3)c2)ccc2cccnc12 139239945 PUCQVHMFWNUMDU-HSZRJFAPSA-N 439.540 6.177 10 1 IKCF O=C1Nc2ccc(Cl)cc2/C1=C\c1c(Cl)n(CCCc2ccccc2)c2ccccc12 169310831 LRDJXZILKWVYKK-CJLVFECKSA-N 447.365 7.074 10 1 IKCF CCOc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587763843 AGWMMTKJCNUDOB-RCDICMHDSA-N 433.365 5.211 10 1 IKCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587945115 JJLJJTZMXVRJBF-QHCPKHFHSA-N 437.536 5.821 10 1 IKCF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 587945281 MKMZYYKNCJDFHF-HXUWFJFHSA-N 434.826 5.448 10 1 IKCF COc1cccc(O)c1CN1CCC(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)CC1 12591568 HGNOQQFCBMFMNQ-UHFFFAOYSA-N 430.548 5.227 10 3 IKCF CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(Cl)cc4)c4ccccc34)[C@@H]21 64447471 WUKCDERRJXGLBX-XMMPIXPASA-N 441.918 5.130 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cc3ccccc3)ccc2O)N1 587821679 JQHINUVIGXLADP-LFVRLGFBSA-N 426.329 5.508 10 1 IKCF Fc1ccc(C(c2ccc(F)cc2)[C@@H]2CC[C@H](NCc3ccc4c(c3)CCO4)CO2)cc1 103228727 BAVJQCBHZFZKNS-AHWVRZQESA-N 435.514 5.369 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4ccoc4COc4ccc(C=O)cc4)[nH]c3c2)cc1 586901141 OTPRDJDHJXXGRO-UHFFFAOYSA-N 425.444 5.589 10 1 IKCF Fc1c(Br)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1F 587078236 LYRSGIHWXGHSKJ-GBNMTWHSSA-N 436.687 6.084 10 1 IKCF CC(C)c1cc(/N=N/c2cccc3c2C(c2ccccc2Cl)=N[C@@H](C)C(=O)N3)ccc1O 29125519 APBUXXOOBDPMMN-ZVKGKFHZSA-N 446.938 6.762 10 1 IKCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1cc(Br)ccc1O 103960234 KHJDYHDAJQJPPZ-FMQUCBEESA-N 439.063 5.028 10 1 IKCF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1F 587725158 NWNVZMXRFUDKST-XFNZEKPQSA-N 449.314 5.898 10 1 IKCF COc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c(OC)c1 587924168 JNWTWLNPSCMOPA-UHFFFAOYSA-N 436.602 6.624 10 1 IKCF CCC(=O)Nc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 587924360 UKRYLJKADSRITJ-UHFFFAOYSA-N 447.629 6.955 10 1 IKCF COC(=O)c1cccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 587512218 MBTJNJSGWOQMEN-RUZDIDTESA-N 429.516 5.466 10 1 IKCF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 587703440 YODCPWYLHGHFEZ-IPQOISQHSA-N 447.779 6.273 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(C[C@H](C)n4cc(Cl)cn4)n3)c2C)c1 587924127 GTMGQKMPGIRNCL-AWEZNQCLSA-N 443.041 6.593 10 1 IKCF O=C(NCc1ccc(N2[C@H]3CCC[C@@H]2CC3)c(C(F)(F)F)c1)Nc1cccc2[nH]ncc12 14973537 DCSZKXVLNDMKDL-IYBDPMFKSA-N 443.473 5.425 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c(C)c1 587750870 JZFZAKQUOQCFJM-OWJWWREXSA-N 441.388 6.236 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4nc5ccccc5s4)n3)c2C)c1 587924920 MWBHASGCSSXJET-UHFFFAOYSA-N 447.654 7.140 10 1 IKCF C[C@H](Cc1ccc(O)cc1)c1cc([C@@H]2O[C@H](c3ccc(O)c(O)c3)[C@H](C)[C@H]2C)ccc1O 2356400871 MGYKBHUJUVNFML-ZZTJNXFISA-N 434.532 5.940 10 1 IKCF C[C@H](/N=N/c1nc2ccc(F)cc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 169730157 IQOQEDPBIAWATL-ATUOHFMOSA-N 429.860 6.892 10 1 IKCF Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Cl)cc2)N1 2934315 GRZGEYHQQBTIAR-WMZHIEFXSA-N 441.314 5.402 10 1 IKCF CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 95583071 LGCCDZDUQFDBDR-UHFFFAOYSA-N 428.985 5.582 10 1 IKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2cc1Br 587271285 AFZGVYVYMCLXJE-LRDNONRASA-N 439.313 5.677 10 1 IKCF COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587510550 BBQJVXZICPAYDA-VWLOTQADSA-N 446.503 5.596 10 1 IKCF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1CC(C)C 587579305 UKRBDHZECXWMIP-RPLLCQBOSA-N 427.500 6.014 10 1 IKCF O=C(O)[C@@H]1CCCN(CCCC=Cc2cccc(N=Nc3cccc4ccccc34)c2)C1 1857629189 OPYYBKVZCIOLEP-HSZRJFAPSA-N 427.548 6.845 10 1 IKCF COC(C)(C)CCCC(C)=CCc1c(CCC(=O)c2ccc(O)cc2O)ccc(O)c1O 2356336299 JHLPMSFZJFPKFH-UHFFFAOYSA-N 442.552 5.409 10 1 IKCF O=C(NCc1ccc(N2CCCCCC2)cc1C(F)(F)F)Nc1cccc2[nH]ncc12 14973509 LWRBKRYFALJNHP-UHFFFAOYSA-N 431.462 5.284 10 1 IKCF O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@H]32)c1)c1ccc(F)cc1 63540174 ZZIXCHIEESZZDI-SKVJQKLOSA-N 434.514 7.058 10 1 IKCF COc1ccccc1C(=O)O[C@H]1CCC(C)(C)c2ccc3c(c21)C(=O)C(=O)c1c(C)coc1-3 84672220 BKZDAFOPASLEOS-IBGZPJMESA-N 444.483 5.612 10 1 IKCF Oc1ccc2oc(-c3ccc4ccccc4c3)cc2c1CN1CCC(N2CCCCC2)CC1 169349598 ZTUAYNZMPIHLBY-UHFFFAOYSA-N 440.587 6.409 10 1 IKCF CC1=CCCC(C)(C)[C@@H]1Cc1c(O)c(O)cc2oc3c(=O)c4c(O)cc(O)cc4oc3c12 43078787 LONDNVXJGNYQEO-CQSZACIVSA-N 436.460 5.440 10 1 IKCF biogenic Cc1c(Br)cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1C 587196677 XGPJFIZSSGWJMK-UHFFFAOYSA-N 448.368 7.091 10 1 IKCF CCCCCOc1cc2nc(/C=C\c3cc(O)c(O)c(OC)c3)[nH]c2cc1Br 587785300 KVWANNJBUKPKOT-SREVYHEPSA-N 447.329 5.485 10 1 IKCF Cc1cc(-c2csc(-c3ccc(-c4ccc(O)cc4)cc3)n2)c(C)n1-c1ccccc1F 587922054 IHEJXEBBOVOTAN-UHFFFAOYSA-N 440.543 7.396 10 1 IKCF CCc1c(-c2cc(O)c(O)cc2O)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587367675 YOUAVRZVBGGUSG-UHFFFAOYSA-N 427.456 6.003 10 1 IKCF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(F)c(Br)cc2F)s1 587943509 FYUQILHHGHWCNG-UHFFFAOYSA-N 426.282 5.572 10 1 IKCF Cc1cc(O)c(O)c2c1O[C@@]1(C2)[C@@H](C)CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C 6069781 HJSZCMVJNUBOQM-JZFVXYNCSA-N 428.613 5.730 10 1 IKCF COc1ccc(N2CCN(CCCCc3c[nH]c4ccc(OC5CCCC5)cc34)CC2)cc1 13582418 GOHAIWYNEPLTLZ-UHFFFAOYSA-N 447.623 5.643 10 1 IKCF COc1cccc2c(-c3cc(CCCO)c4c(c3O)[C@@H](C)N[C@H](C)C4)c(C)cc(OC)c12 28862007 MEFPVSJHRDGCGF-IAGOWNOFSA-N 435.564 5.058 10 1 IKCF CCOC(=O)c1ccc(N[C@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)cc1 653795629 HQVCSCHJOUPOBX-JOCHJYFZSA-N 432.907 5.972 10 1 IKCF CC(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(COc4cccnc4)c3)cc2)CC1 1857652623 IJLHEUSFBQKSGO-SNAWJCMRSA-N 447.966 5.153 10 1 IKCF CCC[C@H](CC)c1c(O)c(O)c([C@@H](CC)CCC)c([C@@H](CC)CCC)c1[C@@H](CC)CCC 5785601 MERZOBJQFOCPRA-ZJZGAYNASA-N 446.760 10.273 10 1 IKCF Cc1cncc(N[C@H](c2cccc(OCc3ccccc3)c2)c2ccc3cccnc3c2O)c1 103301018 HDWQDGWOFZBTMP-HHHXNRCGSA-N 447.538 6.424 10 1 IKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(C(F)(F)F)c1 587506477 JTCAFNXPGFMYDM-XMMPIXPASA-N 439.477 6.698 10 1 IKCF CC1CCN(c2ccc([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587765921 FDOFPKDJNVIEAZ-MWTRTKDXSA-N 431.393 5.622 10 1 IKCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587767827 JWHLDCIIGZEXFM-IKDAMUNISA-N 445.376 5.015 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Cl)c(Cl)c4)n3)c2C)c1 587924343 SUVYTEJQJBVLNS-UHFFFAOYSA-N 445.440 7.913 10 1 IKCF CCN1CCN(c2ccc([C@@H]3c4ccc(O)cc4CCN3c3ccccc3)cc2)C[C@@H]1C 34633739 CQMHXNWJGFZDKE-RBTNQOKQSA-N 427.592 5.075 10 1 IKCF CC1(C)CCC[C@@]2(C)[C@@H]3Cc4c(c(O)c(O)c5nc(C(=O)O)ccc45)O[C@]3(C)CC[C@H]12 2356813501 CHLKINYAFCYULV-AXNGDHQNSA-N 425.525 5.280 10 1 IKCF Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@H](NCc2ccc(N(C)C)cc2)C1 2356854894 QXBXWAOOKNNJCF-NOZRDPDXSA-N 442.651 6.055 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cccc(Br)c3)c1C)O2 587374000 WFVHKJPJEDYDNU-NRFANRHFSA-N 425.326 5.454 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)n(Cc3ccc(Cl)cc3)c3ccccc13)O2 587378878 RCOIKPNIPHTKDM-XMMPIXPASA-N 430.935 6.249 10 1 IKCF CCCCN(CCCC)c1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587738589 BNSYPQQLMZJMJQ-XDHUDOTRSA-N 447.436 6.618 10 1 IKCF Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N3CCCCC3)cc2)cc1 95587975 SGWQQLRAZYJWBJ-UHFFFAOYSA-N 434.605 5.376 10 1 IKCF Oc1ccc2cc1-c1cc(ccc1O)CCc1c(ccc(O)c1O)Oc1cccc(c1)/C=C\2 101697854 VJVIVKRBECFLNS-PLNGDYQASA-N 438.479 6.237 10 1 IKCF Oc1c(OC(F)(F)F)cc(Br)cc1[C@H]1c2ccc(F)cc2C[C@H]2CCCN21 963092522 BAQFCDVLTVJQQB-CXAGYDPISA-N 446.238 5.302 10 1 IKCF COc1ccc(S(=O)(=O)N(Cc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1 95588594 OWUYAKXOEONUBB-UHFFFAOYSA-N 436.577 5.081 10 1 IKCF CC1CCN(c2ccc([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587765922 FDOFPKDJNVIEAZ-QMHKHESXSA-N 431.393 5.622 10 1 IKCF Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12 617960316 CEUYNANJDQHLCM-JTQLQIEISA-N 436.693 5.676 10 1 IKCF O=C1[C@H](c2ccccc2)Oc2cccc(O)c2[C@@]12c1ccsc1CCN2Cc1ccco1 962706226 LQRNAFYIDUFBEF-AHWVRZQESA-N 443.524 5.051 10 1 IKCF Cc1sc2c(c1C)CCN[C@]2(Cc1ccc(Cl)cc1Cl)c1ccc(O)cc1O 963022529 KAYHIVOQDRIZHW-JOCHJYFZSA-N 434.388 5.715 10 1 IKCF COc1ccc(N2CCC(N[C@H](c3cccnc3)c3ccc(Cl)cc3F)CC2)cc1F 72185716 UQQBVMKPQVCNJK-XMMPIXPASA-N 443.925 5.370 10 1 IKCF Cc1cc(-c2csc(-c3cccc(Oc4ccccc4)c3)n2)c(C)n1-c1ccccc1F 587922614 RIOAOWQCIWNIHP-UHFFFAOYSA-N 440.543 7.816 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@H]21 587276530 LNLQTDGBSGEKPL-NJSLBKSFSA-N 430.386 5.505 10 1 IKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2c(C)c(C)c(O)c(O)c2O1 14637692 QLPJBLZJTMXETL-HBNUPATHSA-N 426.641 7.998 10 1 IKCF Cc1c(CN2CCSCC2)cc(-c2ccc(C(C)C)cc2)n1-c1ccc(Cl)cc1 42919875 MIBCMARMFXVNJY-UHFFFAOYSA-N 425.041 6.778 10 1 IKCF COC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1Cc1ccccc1 84671557 PKBWNLCPIRBJMS-CQRMUSIZSA-N 427.504 5.599 10 1 IKCF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c1 587049534 QQAMCPRPMWSKID-UHFFFAOYSA-N 443.890 5.253 10 1 IKCF COc1ccccc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587575550 FPFGNZPXTYQUAJ-SHQCIBLASA-N 441.483 5.511 10 1 IKCF COc1ccc(OC)c(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c1 587924104 FNSSBIIPRSZMNT-UHFFFAOYSA-N 436.602 6.624 10 1 IKCF CSc1ccc(-n2c(C)cc([C@@H]3N[C@H](C(=O)O)Cc4c3cnc3ccccc43)c2C)cc1 963224233 BPCBSEWFWANOTD-DQEYMECFSA-N 443.572 5.053 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)CC2=O 587464182 KQBKNOQJGVTMLQ-HSZRJFAPSA-N 443.465 6.478 10 1 IKCF Oc1cc(O)c([C@]2(Cc3ccc(Cl)cc3)c3ccc(F)cc3C[C@@H]3CCCN32)c(O)c1 963102803 GCICQUGZLABOKB-DFBJGRDBSA-N 439.914 5.103 10 1 IKCF CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(NC(C)=O)ccc23)cc1 26842875 VQDSQPDTXHBDCG-UHFFFAOYSA-N 448.548 5.242 10 1 IKCF COc1ccc(-c2[nH]c3ccccc3c2CCNCCCCc2ccc(N)cc2)cc1OC 27556823 SUKHEUFSNFPMHX-UHFFFAOYSA-N 443.591 5.589 10 1 IKCF CC(C)(C)CCOC(=O)N1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccc(O)cc2)C1 45191797 LDKMCSWVHZOYJI-SFHVURJKSA-N 433.932 5.020 10 1 IKCF CN(C)c1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(N(C)C)cc4)ccn3)c2)cc1 164368392 XYKUGOYLBPMTEK-KQQUZDAGSA-N 446.598 6.616 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(O)c3[nH]1)[C@@H]1CC=C[C@@H]21 587271973 MGWGHAZAZWIPHF-QFSBIZTOSA-N 441.285 5.074 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)cc2Cl)N1 587696109 PJSMVMNDRVOYFJ-LRTDBIEQSA-N 437.784 5.856 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1C 587754652 ZTRSEZKNSABBCV-MYYSRTQBSA-N 441.388 6.236 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 587756612 RJDBRDMABJNVIC-GYCJOSAFSA-N 439.372 5.480 10 1 IKCF Cc1cc2c(n1-c1cccc(Cl)c1)C[C@H](C)C[C@@]21NCCc2ccc(C(=O)N(C)C)cc21 962930845 MRLWQYHVMQZNTE-SOKVYYICSA-N 448.010 5.113 10 1 IKCF O=C(C=Cc1ccc(O)c(O)c1)O[C@@H](CCCCCCO)CCCCCCCCCO 2356500315 RTCUUMVKHRPOER-JOCHJYFZSA-N 436.589 5.079 10 1 IKCF CC(C)=CCCC(C)=CCc1c(O)c(O)c(O)c(C(=O)CCc2ccc(O)cc2)c1O 2356545698 NMIIWAISRYUHLN-UHFFFAOYSA-N 426.509 5.265 10 1 IKCF Cc1ccc(/N=N/c2c(C)nn(-c3ccccc3)c2-c2ccccc2)c(Br)c1 17194701 LYXHSOROIZVADN-OCEACIFDSA-N 431.337 7.334 10 1 IKCF CC(=O)Oc1ccc(O)c(O)c1CC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 38514081 QUMFQHZIHBPZFC-RJGXRXQPSA-N 448.688 8.031 10 1 IKCF biogenic CC[C@@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC3CCCCCC3)ncnc21 82190587 YGHYZWUWNLRUDE-HXUWFJFHSA-N 446.643 6.274 10 1 IKCF O=C1C(=C(O)c2cccs2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 101099928 VKPRUNWMJRBEST-UHFFFAOYSA-N 431.300 5.319 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c21 587145576 NEUAXVZQBDLWGD-UHFFFAOYSA-N 436.417 5.951 10 1 IKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)cc(Cl)c1 587500080 LODACAZJKWQMOC-DEOSSOPVSA-N 440.370 6.986 10 1 IKCF CC[C@@]1(c2cc(Cl)cc(Cl)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587697013 VQKBUHSLNYDINR-DYBLOJMWSA-N 433.148 5.788 10 1 IKCF Cc1cc2c(C)c(O)c(O)cc2c2c1[C@]1(C)CC[C@]3(C)CC[C@](C)(C(=O)O)C[C@@H]3[C@]1(C)C=C2 2356489978 RBDGQMZJUTZCHP-WQJHFXEDSA-N 448.603 6.850 10 1 IKCF CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(C(=O)O)cc(O)c1O 2356670165 BSKXNBAQBKFMLO-UHFFFAOYSA-N 426.597 7.484 10 1 IKCF C[C@@H]1C[C@H]2[C@]3(C)CC[C@]4(C)[C@H](CC[C@H]5[C@@H](C)C(=O)C(=O)C[C@H]54)[C@@]3(C)CC[C@@]2(C)[C@H](O)C1=O 169720458 OOALVIYVCHJQAF-SILIMTBWSA-N 442.640 5.006 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C=C\c2ccccc2)(c2ccccc2O)N1 587834383 RTBRHWVJMIFQAS-DQISNSPHSA-N 438.340 5.785 10 1 IKCF Oc1c(OC(F)(F)F)cc(Br)cc1[C@@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963092533 BAQFCDVLTVJQQB-GUYCJALGSA-N 446.238 5.302 10 1 IKCF COc1ccc2c(c1)[C@@]1(CC=C(C)C)CCN(Cc3ccccc3)[C@H]1N2Cc1ccccc1 58520158 BOTUNKZALQDRDH-XZWHSSHBSA-N 438.615 6.542 10 1 IKCF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 587698120 HVHUSSNOMBOCCG-VERVWZFWSA-N 447.779 6.273 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1ccc(O)cc1)CCC2(C)C 84688044 MUNCXACQSGLKIZ-GOSISDBHSA-N 430.456 5.309 10 1 IKCF Cc1ccc(C)c(Cn2c(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)c1 587517047 ZWHPKFDEVMYBMQ-LJAQVGFWSA-N 449.594 7.200 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c21 587016090 PFOAICRGAFUJFD-UHFFFAOYSA-N 441.899 5.782 10 1 IKCF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O)C1CCCC1 587223405 ABWCQCJVGXZCRC-HXUWFJFHSA-N 445.519 5.094 10 1 IKCF O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(N2CCCCC2)cc1)c1ccccc1 95586633 HNBCLYRQPDYRSL-UHFFFAOYSA-N 440.996 5.726 10 1 IKCF O=C1/C(=C/c2ccco2)SC(=S)N1CCCCNc1ccnc2cc(Cl)ccc12 95588817 WLAVMMJCCZRBGM-UYRXBGFRSA-N 443.981 5.575 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4cc(C(F)(F)F)ncc4Br)[nH]c3c2)cc1 587115821 BMRNSHHAUHURTM-UHFFFAOYSA-N 449.230 5.781 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4cn5ccccc5n4)n3)c2C)c1 587924243 OCKJAFLJOCYVDB-UHFFFAOYSA-N 430.602 6.178 10 1 IKCF CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cc(F)c(Br)cc3F)c2C1 587943561 IVKVQOHYMIBDNT-UHFFFAOYSA-N 448.282 6.479 10 1 IKCF Cc1cc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(C)n1-c1ccc(Cl)cc1 962696890 HARJOBWIKJABKT-NLFFAJNJSA-N 441.015 6.340 10 1 IKCF COc1ccc([C@@H](Nc2nc3c(Cl)cccc3s2)c2c(O)ccc3ccccc23)cc1 169352036 WGRLLEVKSGEEJJ-HSZRJFAPSA-N 446.959 7.019 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 587575196 DJNUVCYXAPJKLV-RPLLCQBOSA-N 425.484 5.811 10 1 IKCF CC[C@@]1(c2ccc(Br)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587677323 IBXRZUCBAGJPGO-MGNBDDOMSA-N 443.154 5.244 10 1 IKCF COc1ccc(O)c([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587805961 GXPALKRHVIDFPX-QKFKETGDSA-N 442.328 5.129 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(c2ccc(O)cc2O)N1 587822813 RIASOGQDSQGZSO-QKFKETGDSA-N 442.328 5.020 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)c(Br)c2)N1 587676096 FHFDYCAISHSNSX-MLCYQJTMSA-N 442.170 5.040 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cc3ccccc3)ccc2O)N1 587823313 TVLDZIJGNGZNIE-LFVRLGFBSA-N 426.329 5.508 10 1 IKCF CCCCc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)c(Br)c1 587937918 WHAMSPHEGJLMSH-UHFFFAOYSA-N 432.383 6.328 10 1 IKCF CC[C@]12C=Cc3c(O)c(O)cc4c3[C@]1(CCC2)CC(c1cc(O)c(O)c2c(O)cccc12)=C4 2356358143 XPXWPLUTGTUOBV-NSOVKSMOSA-N 442.511 6.157 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 587824250 VUOZRZMVLFPJCD-DAOPMYJZSA-N 444.344 5.059 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)cc3[nH]1)[C@@H]1CC=C[C@H]21 587273022 YYYTYPKXPOBVNI-KSMMKXTCSA-N 425.286 5.369 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C\c2ccccc2)(c2ccccc2O)N1 587834098 QRRUSJABPQWWFV-DBHVYIFRSA-N 438.340 5.785 10 1 IKCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(Cl)ccc12 29469564 QCFPAHWCABYTSD-UHFFFAOYSA-N 426.929 5.198 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C)c3[nH]1)[C@H]1CC=C[C@@H]21 587271295 AHRDKTOREIIYQU-SIFCLUCFSA-N 439.313 5.677 10 1 IKCF COc1ccc2c(c1OC)[C@H](c1cc(C)n(-c3ccc(F)c(F)c3F)c1C)N(C)[C@@H](C)C2 962575217 VTELWIUIVDIYMV-RZFZLAGVSA-N 444.497 5.494 10 1 IKCF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1Cl 587702507 ZWLQFDVGMQRZGC-AMXDTQDGSA-N 447.779 6.273 10 1 IKCF O=C(c1cccc(Oc2ccccc2)c1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71295699 RATDJMAJNMTSHA-RUZDIDTESA-N 435.483 5.571 10 1 IKCF CCN(CC)c1ccc(/C=C2/SC(N(c3ccccc3)c3ccccc3)=NC2=O)cc1 206110288 MNFBKMRIWOBFHH-LYBHJNIJSA-N 427.573 6.341 10 1 IKCF COc1cc(O)c([C@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1Cl 963818133 RAMSDHGQUPCUSM-SANMLTNESA-N 448.950 5.524 10 1 IKCF CCN(CC)CCC[C@H](C)Nc1c2cc(OC)ccc2nc2cc(Cl)c([N+](=O)[O-])cc12 37625978 WTWMCRORZREROG-HNNXBMFYSA-N 444.963 5.881 10 1 IKCF Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc(C)c1O 103279607 TXXXOOBUYYCCJA-OCEACIFDSA-N 449.454 6.244 10 1 IKCF COc1ccc(O)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587804634 BLTFIJRVNJXDQY-LFVRLGFBSA-N 442.328 5.129 10 1 IKCF CN(C)c1ccc(C(=C2C=CC(N(C)C)C=C2)c2ccc(N(C)Cc3ccccc3)cc2)cc1 2356837605 LLCZYVJCMBRWPV-UHFFFAOYSA-N 449.642 6.247 10 1 IKCF CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(-c2ccccn2)c1O 28013919 CXUAGTCYLKJHOZ-UHFFFAOYSA-N 448.954 5.480 10 1 IKCF O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)c2ccccc2N1Cc1ccccc1 72106023 WRGZXISRUFAVJR-USHMODERSA-N 440.546 6.777 10 1 IKCF CCN1CCN([C@H](c2ccc(C(F)(F)F)cc2)c2cc(Cl)c3cccnc3c2O)CC1 96285974 JKUMTZMZMYVTEJ-OAQYLSRUSA-N 449.904 5.340 10 1 IKCF O=S(=O)(Nc1cccc2ccncc12)c1ccc(NCc2cccc(Cl)c2O)cc1 103266583 HPPXSXLETPCFOQ-UHFFFAOYSA-N 439.924 5.007 10 1 IKCF O=C1C[C@@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)Oc2c1ccc1c2CCCC1 587534351 ZDUCJBAJEOELCU-MHZLTWQESA-N 426.468 5.271 10 1 IKCF CCN(CC)c1ccc(N=Nc2ccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587385131 BTRYRHZFIRLPTJ-HHHXNRCGSA-N 442.563 6.719 10 1 IKCF CN(C)c1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1 28007402 JVTWOCNYNMTDPS-UHFFFAOYSA-N 447.542 6.842 10 1 IKCF CC(C)c1cccc(C(C)C)c1/N=N/C(=C1/NCCN1Cc1ccc(Cl)nc1)[N+](=O)[O-] 103218352 VEYFXGGKZHIXJI-DKDYXLSVSA-N 442.951 5.574 10 1 IKCF CCN(CC)C(=O)N(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 29250317 BNWVTHKIWYAIOP-UHFFFAOYSA-N 426.948 5.621 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCCC3)cc2)N1 587769617 YQBFLURJKYXREB-MWTRTKDXSA-N 431.393 5.766 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C[C@H]3c4ccccc4N(C)[C@H]3C=C2)N1 587770136 PIYMEDQEEXSWND-JOOOALNXSA-N 425.345 5.262 10 1 IKCF O=C(NCc1ccc(N2CCCCCC2)c(C(F)(F)F)c1)Nc1cccc2[nH]ncc12 14973513 HROAXNCXUIKFGJ-UHFFFAOYSA-N 431.462 5.284 10 1 IKCF CN(C)/N=N/c1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1 26850362 QKVZLTHLJDEDFA-IMVLJIQESA-N 434.525 5.063 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cccc4ccccc34)c1C)CC2=O 587470100 IBOXQROUJPAJGX-MHZLTWQESA-N 425.528 6.612 10 1 IKCF Cc1cc2c(C)c(O)c(O)cc2c2c1[C@]1(C)CC[C@]3(C)CC[C@](C)(C(=O)O)C[C@H]3[C@]1(C)C=C2 2356489977 RBDGQMZJUTZCHP-OZPZFEBSSA-N 448.603 6.850 10 1 IKCF Nc1ccc(O[C@@H](CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 27628459 LKDDUCONRFBZBT-MHZLTWQESA-N 432.539 5.794 10 1 IKCF CCCCCN(Cc1ccc(N(CC)CC)cc1)C(=O)CCCc1c[nH]c2ccccc12 28825742 FQXQUYQQAFAGFN-UHFFFAOYSA-N 433.640 6.556 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4ccc(Cl)c(-c5ccc(Cl)cc5)c4)[nH]c3c2)cc1 587047367 IBQVKQPITWKGGP-UHFFFAOYSA-N 446.337 7.578 10 1 IKCF COc1ccc(-c2ccc(O)c([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 587806355 IAPGUHYHAKKDFA-ZLOXQWCVSA-N 442.328 5.593 10 1 IKCF Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@@H](c3ccc(Cl)cc3)C2)ccc1O 28653249 URIMCUCUDKWYCW-JOCHJYFZSA-N 435.980 6.211 10 1 IKCF CN(C)c1ccc(-c2[nH]c3cc(F)ccc3c2-c2nc3ccccc3c3ccccc23)cc1 587634715 CCXSLUQDAXPPAH-UHFFFAOYSA-N 431.514 7.408 10 1 IKCF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1Cl 587693795 FLHMFLQEWXPINR-YTEVENLXSA-N 447.779 6.273 10 1 IKCF CCCCN(CCCC)c1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587738587 BNSYPQQLMZJMJQ-MZNJEOGPSA-N 447.436 6.618 10 1 IKCF Cc1ccc(Cn2c3c(c4cc(OCc5ccccc5)ccc42)C[C@H](C(=O)O)CC3)cc1 1857644875 FXFIJFPNLGETLD-JOCHJYFZSA-N 425.528 5.767 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccccc1)CCC2(C)C 84687586 PQNJMNOQXBOYKI-IBGZPJMESA-N 428.484 5.532 10 1 IKCF Cc1ccc(-c2ccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c(Cl)c2)cc1F 587146089 YRWUQDMEDQNFCA-UHFFFAOYSA-N 443.909 7.372 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(O)cc2O)N1 587821500 IMUUTHRYHGSXDZ-PSLXWICFSA-N 442.328 5.020 10 1 IKCF CCO[C@@H](Cc1ccc(OCCC=C2c3ccccc3CCc3ccccc32)cc1)C(=O)O 12358174 PZIGMFKCTPIMQT-NDEPHWFRSA-N 442.555 5.718 10 1 IKCF COc1ccc(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)cc1 223775079 NFCAESNVCNVNCR-OCEACIFDSA-N 434.477 5.155 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]4CCc5c(ccc(O)c5O)[C@H]4CC[C@@]31C)O2 587402669 BDQKUBZAHGOOPR-KHOKCMCPSA-N 433.548 5.249 10 1 IKCF Cc1c(-c2ccnc3c(/N=N/c4ccc(F)cc4)c(N)nn23)sc2nc3ccccc3n12 140955232 VIGKSBVTHAVVGK-BYYHNAKLSA-N 442.483 5.704 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(SC(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@H]21 587275751 GFYDXFUQAIGDPZ-NJSLBKSFSA-N 446.454 6.218 10 1 IKCF COc1ccccc1NC(=S)N1N=C(c2ccc(O)c(C)c2)C[C@H]1c1ccc(F)cc1 28653369 XCZUDNITCVDMQP-NRFANRHFSA-N 435.524 5.396 10 1 IKCF N[C@H]1N=C(c2ccccc2)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 84730583 RJUHNRMDMGCSAN-LJAQVGFWSA-N 442.522 6.234 10 1 IKCF Nc1ccc(Oc2ccc3nc(/C=C/c4ccc(SC(F)(F)F)cc4)[nH]c3c2)cc1 587124948 OBXSGAUIUMKJJZ-KGVSQERTSA-N 427.451 6.720 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)[C@H]1CC=C[C@H]21 587272481 UIJMOMURQLRBAH-ZKTNFTSUSA-N 432.377 5.764 10 1 IKCF O=C(O)[C@H]1CCc2c(c3cc(OCc4ccccc4)ccc3n2Cc2ccc(F)cc2)C1 1857758991 NRNCRBGWTDMOGI-FQEVSTJZSA-N 429.491 5.597 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc21 587132874 JTDQWIJFFZXFLO-UHFFFAOYSA-N 439.229 5.015 10 1 IKCF CCS(=O)(=O)c1ccc2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2c1 587195019 FCMDCIWQJOCHPC-UHFFFAOYSA-N 433.537 5.505 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 587575195 DJNUVCYXAPJKLV-IGKIAQTJSA-N 425.484 5.811 10 1 IKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 962949110 PFXCZMKBNBRPNO-CQGGRAHPSA-N 448.522 6.054 10 1 IKCF CCCSCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C 1857605664 AGLACBUGGFDYJZ-UHFFFAOYSA-N 431.598 5.681 10 1 IKCF COc1cccc(CN2CCC[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1O 45211297 XXXMKWLMRIPOOM-QHCPKHFHSA-N 439.502 5.450 10 1 IKCF COc1cccc(COc2ccc3c(c2)C(C)=CC(C)(C)N3Cc2cccc(OC)c2)c1 45255032 ZKUVSEACMSOWSN-UHFFFAOYSA-N 429.560 6.485 10 1 IKCF Cc1ccc(-c2cc(Cl)ccc2OCc2ccc(F)cc2)n1-c1cccc(C(=O)O)c1 40565474 HBSDWYDSSWACEG-UHFFFAOYSA-N 435.882 6.522 10 1 IKCF COc1ccc2cc([C@H](C)/N=N/c3c(Cl)c(Cl)nc(C(=O)O)c3Cl)ccc2c1 169690387 KXMCLPSQMCQAPW-VVTPSSRPSA-N 438.698 6.747 10 1 IKCF CCOC(=O)c1ccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587511230 FLRRLQQITLOXIH-AREMUKBSSA-N 443.543 5.856 10 1 IKCF O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587944372 DFGADMCCSGYFNX-UHFFFAOYSA-N 425.456 6.294 10 1 IKCF CC(C)=CCc1c(O)cc(O)c2c(=O)c3c(oc12)oc1c(CC=C(C)C)c(O)c(O)cc13 15206041 JXRCOUGAFJVKOJ-UHFFFAOYSA-N 436.460 5.532 10 1 IKCF biogenic COc1cc2c3c(c1)O[C@H](c1c(C)n(Cc4cc(C)ccc4C)c4ccccc14)[C@@H](C2)C3=O 587431673 PZPUARBQXCVDRA-IADCTJSHSA-N 437.539 6.112 10 1 IKCF CC(C)=CCc1c(O)cc(O)c2c(=O)c3c(oc12)-c1cc(O)c(O)cc1O[C@@H]3C=C(C)C 13429508 HEXPWLIZWQZUCB-HXUWFJFHSA-N 436.460 5.191 10 1 IKCF biogenic CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cc(C(=O)O)ccc3C)c1C)CC2=O 587470511 KONLKJJNOPTYJX-DEOSSOPVSA-N 433.504 5.465 10 1 IKCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccc(Br)cc23)cc1 169339489 AUCRKIVOQYENCW-UHFFFAOYSA-N 442.338 5.266 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 587822512 OMAXOQKJQWNYKP-ZAMGYDSWSA-N 440.312 5.397 10 1 IKCF CCCCC/C=C/C/C=C/CCCCCCCC(=O)N1CCc2cc(O)c(O)cc2[C@@H]1C 28651368 HRWXKOZDOJISQG-XKMAGYSMSA-N 441.656 7.357 10 1 IKCF COCCN(C)c1ccc(NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)c2C)cn1 96286530 CAYGOJDNPJSXTQ-UHFFFAOYSA-N 440.547 5.183 10 1 IKCF Cc1ccc([C@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2ccco2)cc1 299840707 YWYFHRGBFGTQFU-GOSISDBHSA-N 425.282 5.048 10 1 IKCF COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccccc3O)C2)cc1 1857571095 BBTNLAWYSZPTDU-HSZRJFAPSA-N 427.529 5.880 10 1 IKCF CCCCCOc1ccc2[nH]cc(CCCCN3CCN(c4ccc(OC)cc4)CC3)c2c1 13582416 WQLVHDHVUFPOBT-UHFFFAOYSA-N 449.639 5.890 10 1 IKCF COc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(Cl)cc3nc2c1 26847625 HNFQVCGTDFCEJQ-UHFFFAOYSA-N 427.913 5.165 10 1 IKCF O=C(/N=N/c1c(O)[nH]c2ccc(Cl)cc12)c1cc(-c2cccs2)nc2ccccc12 101814004 RSSGUWDFLYKHQB-CYYJNZCTSA-N 432.892 6.728 10 1 IKCF CC(C)Sc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1 113624131 CNSFANGYZDOBBZ-UHFFFAOYSA-N 446.981 5.267 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(F)c3[nH]1)[C@H]1CC=C[C@@H]21 587275537 DQRRRJGFSWHMLE-SOZUMNATSA-N 443.276 5.508 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587748949 CBSHYRRRIBOEDT-LFVRLGFBSA-N 427.361 5.928 10 1 IKCF Cc1c(O)c(O)cc2c1CC[C@@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C 85643343 FKARAOWYAAUAFW-XQNXJKPZSA-N 440.624 5.419 10 1 IKCF biogenic,in-vitro Nc1ccc(Oc2ccc3nc(C[C@H]4Sc5ccc(Cl)cc5NC4=O)[nH]c3c2)cc1 587043104 OKCQGAOYEYQGDB-HXUWFJFHSA-N 436.924 5.246 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(CN(Cc3ccccc3)c3ccccc3)[nH]c21 587196244 PHSJAJSPSRFRHL-UHFFFAOYSA-N 443.506 5.545 10 1 IKCF CCCCCn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccccc3)ncnc21 82178362 QNBZWMGPCTUGBP-UHFFFAOYSA-N 440.595 5.896 10 1 IKCF Cc1cccnc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587752840 SZBABLNZVXXZEB-YEJXKQKISA-N 428.349 5.323 10 1 IKCF Cc1cc(Br)ccc1/N=N/c1c(C)nn(-c2ccccc2)c1-c1ccccc1 17194692 IVGFWIIFCPOGME-OCEACIFDSA-N 431.337 7.334 10 1 IKCF Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@H](c3ccc(Cl)cc3)C2)ccc1O 28653252 URIMCUCUDKWYCW-QFIPXVFZSA-N 435.980 6.211 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1ccccc1F)CCC2(C)C 84688836 XACHSOCHCABXBD-GOSISDBHSA-N 432.447 5.743 10 1 IKCF CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2cccc(C)c2)cc1 95585007 HPEHCTLESOYBRN-UHFFFAOYSA-N 443.012 5.890 10 1 IKCF CCOc1cc(N(CC)CC)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587741236 MKHBRPXZHMBPCV-JLCFBVMHSA-N 435.381 5.457 10 1 IKCF COc1ccccc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587752955 UTSHKMUHIWCNHL-NPMABZOXSA-N 443.360 5.628 10 1 IKCF COC(=O)c1ccc(-n2c(C)cc([C@H]3NCCc4cccc(-c5ccccc5)c43)c2C)cc1 962667341 NVWYQMNCPPQOAG-MUUNZHRXSA-N 436.555 5.783 10 1 IKCF c1ccc(/N=N\c2ccc(CN3CCN([C@H]4CC[C@@H](c5ccccc5)CC4)CC3)cn2)cc1 1857569537 YZSOQMZFWBOWEV-DYBVMYHOSA-N 439.607 6.341 10 1 IKCF Clc1ccc(-c2c3c(nc4ncnn24)c2ccccc2c2nc4ccccc4nc23)cc1 96917426 DPDZKTITQKIKFK-UHFFFAOYSA-N 432.874 5.848 10 1 IKCF Cc1cccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 38840827 QFFJZCKRJQACRC-UHFFFAOYSA-N 442.968 5.373 10 1 IKCF Cc1ccc(-n2nc(C)c(N=Nc3cccc(-c4cccc(C(=O)O)c4)c3O)c2O)cc1C 618011666 UNYOPKCUCFWIQR-UHFFFAOYSA-N 442.475 5.989 10 1 IKCF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1 587353217 MNHMHFCZMIGPGS-BDYUSTAISA-N 442.442 5.245 10 1 IKCF Oc1ccc2ccccc2c1[C@H](Nc1nc2ccccc2s1)c1ccc2ccccc2c1 169351636 RKDBCEWCJNSEES-HHHXNRCGSA-N 432.548 7.510 10 1 IKCF Cc1cccc(CCCCCCC/C=C\C/C=C\CCCCc2cccc(O)c2O)c1O 238764265 GWKYPJJPCAIBMO-YXRHTCTQSA-N 436.636 7.910 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 587709597 BJXXZKUCWLAXQU-MGNBDDOMSA-N 431.271 5.297 10 1 IKCF CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cccc(Br)c3N)c2C1 587935862 QWEAVMIQZDMFNF-UHFFFAOYSA-N 427.317 5.783 10 1 IKCF COC(=O)[C@H](C)c1ccc(-c2ccc(O)c(CN(C)Cc3ccccc3OC)c2)c(F)c1 1857615025 JDOGGTZPLIYCST-QGZVFWFLSA-N 437.511 5.115 10 1 IKCF CN1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]21 27518857 KCGKCOSXAOFVQE-PWMMPXSUSA-N 442.603 5.526 10 1 IKCF Oc1cc(Cl)ccc1[C@]1(c2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962693568 BTUXIWPCHJQADV-DFBJGRDBSA-N 439.983 5.840 10 1 IKCF Cc1ccc([C@@]2(c3ccccc3Cl)c3ccsc3CCN2Cc2cccnc2)c(O)c1 962998922 WZSMNTGPTLJKDQ-SANMLTNESA-N 447.003 6.161 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C)c3[nH]1)[C@@H]1CC=C[C@@H]21 587271298 AHRDKTOREIIYQU-SXGZJXTBSA-N 439.313 5.677 10 1 IKCF Cc1cc(-c2csc(-c3ccc(C(F)(F)F)c(F)c3)n2)c(C)n1-c1ccccc1F 587922239 LYXJLWUFIVDOJQ-UHFFFAOYSA-N 434.433 7.182 10 1 IKCF CCCn1ccc(-c2cnc(N)c(O[C@H](C)c3c(Cl)ccc(F)c3Cl)c2)cc1=O 1857572567 HMMPFIGPWQVUNB-GFCCVEGCSA-N 436.314 5.488 10 1 IKCF O=C1C2=Cc3cc(-c4ccccc4)ccc3OCC2=NN1c1ccc(Br)cc1 103257012 IBNCVSCGZDQWQF-UHFFFAOYSA-N 431.289 5.295 10 1 IKCF CCOc1cc(N(CC)CC)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587741238 MKHBRPXZHMBPCV-PEBXRYMYSA-N 435.381 5.457 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)cc2O)N1 587804952 FYHPVPPQXMZTDJ-FATZIPQQSA-N 442.328 5.496 10 1 IKCF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1-n1c(C)ccc1C 587863045 OYOHIAOBAWMWNZ-UHFFFAOYSA-N 439.437 5.674 10 1 IKCF Oc1ccc(OC(F)(F)F)cc1[C@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962643693 VQNMEUCMWWHTRN-NTKDMRAZSA-N 440.465 5.127 10 1 IKCF COc1cc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccc(Cl)cc3)C2)ccc1O 1857769980 PTMJODMVNSKPHJ-FQEVSTJZSA-N 437.952 5.602 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(C45CC6CC(CC(C6)C4)C5)n3)c2C)c1 587924555 CHUYECRIBCYXHF-UHFFFAOYSA-N 434.674 7.407 10 1 IKCF [N-]=[N+]=NCCC[C@@H]1CC[C@@]2(CC1=O)NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962953676 JXSOKPIXUHWLCM-VFNWGFHPSA-N 436.478 5.012 10 1 IKCF CCCCCN(CCCCC)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26578833 VEPNNBWWMXMNJH-UHFFFAOYSA-N 425.620 8.318 10 1 IKCF COc1cc2c3c(c1)O[C@@]1(C[C@@H]4C(C)(C)CCC[C@]4(C)c4cc(O)c(O)cc41)[C@@H](C2)C3=O 587451267 QVXPMJQTMHETGL-HKRGZYMNSA-N 434.532 5.237 10 1 IKCF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1CC(C)C 587579307 UKRBDHZECXWMIP-SHQCIBLASA-N 427.500 6.014 10 1 IKCF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)n(-c3ccc(C(=O)O)cc3)c1C)CC2=O 587469849 HCDNNSMASTXTCX-AREMUKBSSA-N 433.504 5.331 10 1 IKCF Cc1cc(C)c(-c2csc(NC(=O)/C=C/c3ccc(N4CCCCC4)cc3)n2)c(C)c1 653784833 PKCSPPNRBPFDCL-FMIVXFBMSA-N 431.605 6.378 10 1 IKCF Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@H]1C=C[C@H](NCc2ccc(N(C)C)cc2)C1 2356854896 QXBXWAOOKNNJCF-ZCYQVOJMSA-N 442.651 6.055 10 1 IKCF O=C1c2ccc(O)cc2OC2(CCN(c3ccc4c(c3)CCC4)CC2)[C@H]1c1ccc(F)cc1 587345588 QESGMDWCKDEXIF-SANMLTNESA-N 443.518 5.418 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(OCc3ccccc3)cc2O)N1 587804953 FYHPVPPQXMZTDJ-LFVRLGFBSA-N 442.328 5.496 10 1 IKCF O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cc(F)c(Br)cc1F 587944053 XXHMBOAPJYGRNJ-UHFFFAOYSA-N 440.671 5.856 10 1 IKCF COc1ccc2c(c1)[C@H](c1c(O)ccc3ccc(O)cc13)N(Cc1ccc(F)cc1)CC2 963300726 HQGRJMMDBHUMOD-HHHXNRCGSA-N 429.491 5.546 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)[C@H]1CC=C[C@H]21 587271530 FBOWWYWDBKTXCX-LXIYXOSZSA-N 430.386 5.505 10 1 IKCF COCCCN1CCc2ccc(OC)cc2[C@@H]1c1cc(C)n(-c2ccc(OC)cc2)c1C 961326803 RVTUNOSDGOPRCB-MHZLTWQESA-N 434.580 5.095 10 1 IKCF CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 95585044 IMQWZYVHJQJIKI-UHFFFAOYSA-N 443.012 5.890 10 1 IKCF CC[C@]1(c2ccc(Br)cc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587677770 IWPSKGPDRSIDFH-XTZNXHDOSA-N 443.154 5.244 10 1 IKCF CC[C@H]1CN(c2ccc([C@@H]3c4ccc(O)cc4CCN3c3ccccc3)cc2)CCN1C 34633738 VPWBEIUMAJCDIT-NEKDWFFYSA-N 427.592 5.075 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1cccc(F)c1)CCC2(C)C 84687581 NISHFOFTSDPIEL-GOSISDBHSA-N 432.447 5.743 10 1 IKCF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OC[C@@H]4CC4(F)F)cc3F)C2)cc1 96172887 BPFHKBHWYFENCW-QAPCUYQASA-N 433.470 5.210 10 1 IKCF CC1CCN(c2ccc([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587765920 FDOFPKDJNVIEAZ-HJPURHCSSA-N 431.393 5.622 10 1 IKCF Cc1cc(-c2csc([C@H]3CN(Cc4ccccc4)CCO3)n2)c(C)n1-c1ccccc1F 587922647 RTGOLOHJZXCPKL-RUZDIDTESA-N 447.579 5.930 10 1 IKCF Cc1cc2c(O)nc(CSC(=S)NCc3ccc(Cl)cc3Cl)nc2s1 1857635392 IJRVRQSJDPTUSS-UHFFFAOYSA-N 430.407 5.320 10 1 IKCF O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCCNc1c2ccccc2nc2ccccc12 95582418 LHRZACWEFIDLLN-CCEZHUSRSA-N 440.503 5.318 10 1 IKCF Cc1ccc(C)c(-c2csc(/N=N/[C@H](C)c3cc4c(ccc5ccccc54)oc3=O)n2)c1 169686331 FHACJVAIQLPBRV-MKTBNFJGSA-N 439.540 7.531 10 1 IKCF CN1C[C@H](c2ccccc2)c2cc(O)c(CN3CCCCC3)cc2C[C@H]1Cc1ccccc1 253683621 PHNIMNKOWAJGED-XRKRLSELSA-N 440.631 5.609 10 1 IKCF Cc1cc(-c2csc(C[C@@H](C)NC(=O)OC(C)(C)C)n2)c(C)n1-c1ccccc1F 587922049 ICEUMOCFRAGSEU-CQSZACIVSA-N 429.561 5.812 10 1 IKCF Oc1cccc(CCc2ccc(Oc3cc(CCc4cccc(O)c4O)ccc3O)cc2)c1 14649960 SZYQHLSWPACHMX-UHFFFAOYSA-N 442.511 5.872 10 1 IKCF biogenic CC(C)(C)c1ccc(Sc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 219729447 ZCPOQKRVZMIZBB-UHFFFAOYSA-N 430.554 5.915 10 1 IKCF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 963640612 WUSJQCTYAQTMLH-FNHAALMBSA-N 433.592 5.501 10 1 IKCF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@@H]1c1c(Cl)cccc1Cl 103191226 RUABXKFVAWUZBN-JOCHJYFZSA-N 428.319 5.640 10 1 IKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cc(Cl)cc(Cl)c4)c1C)[C@@H](C2)C3=O 587419362 LGNFDWXPTXJPNC-WMZHIEFXSA-N 428.315 5.898 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCCC3)cc2)N1 587768712 VWYWLVXBHYSPTI-QMHKHESXSA-N 431.393 5.766 10 1 IKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2cccc(F)c2)c1O 28017559 CVMBIFWUFRKISX-UHFFFAOYSA-N 449.957 6.985 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)cc2)cc1 587194959 DNRBFSGWXPGEMC-UHFFFAOYSA-N 425.414 6.610 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)[C@H]1CC=C[C@H]21 587271360 BBDAFGLYNKHSKW-LXIYXOSZSA-N 432.377 5.764 10 1 IKCF CS[C@@]12c3cc(C)n(-c4ccccc4)c3CC(C)(C)CN1C(=O)[C@@H]2Oc1ccccc1 1862062 UWXXNCLSFKTBBZ-JYFHCDHNSA-N 432.589 5.174 10 1 IKCF Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])cc3nc2c1C 26935316 HPWMBUWQYPVDNC-UHFFFAOYSA-N 436.493 5.028 10 1 IKCF CN(C)c1ccc(CN2CCC(NC(=O)c3ccc(-c4ccccc4F)s3)CC2)cc1 45190548 KXJCQRIMKFLPLZ-UHFFFAOYSA-N 437.584 5.015 10 1 IKCF CCN1C(=O)C[C@@H](c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)[C@@H]1c1ccccc1Cl 587060727 DBRSQAYAKPDPLN-DVECYGJZSA-N 446.938 5.668 10 1 IKCF CN1c2ccccc2CN2CCc3c(n(C(=O)c4ccc(Cl)cc4)c4ccccc34)[C@H]21 169291070 SFRZJNUGVQYYJF-VWLOTQADSA-N 427.935 5.490 10 1 IKCF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc2N1 587122267 BFPVIBUQGNRXLW-VOJFVSQTSA-N 428.418 5.108 10 1 IKCF CC1=NN(c2ccccc2)C(=O)C1=Cc1cccc(C=C2C(=O)N(c3ccccc3)N=C2C)c1 2356468741 ORHDKMRVYYTPMO-UHFFFAOYSA-N 446.510 5.299 10 1 IKCF Nc1ccc(O[C@H](CCC(=O)C2CCN(c3ccc(F)cc3)CC2)c2ccccc2)cc1 27628465 LKDDUCONRFBZBT-HHHXNRCGSA-N 432.539 5.794 10 1 IKCF Oc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1CNCCC12CCCN1CCC2 40936736 LTCYLRGWJKJLAH-UHFFFAOYSA-N 436.987 5.446 10 1 IKCF Cc1c([C@H]2c3cccc(Br)c3CCN2C)c2ccccc2n1Cc1ccccc1 963278307 AHZLMVMUZVEIEN-AREMUKBSSA-N 445.404 6.338 10 1 IKCF O=C(NCc1ccc(N2C[C@@H]3CCCC[C@H]3C2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 1857762274 FWPOILGZDWMZJB-IRXDYDNUSA-N 447.457 5.170 10 1 IKCF COc1cc(C/N=N/c2nc(-c3cc4ccccc4oc3=O)cs2)cc(OC)c1OC 169693513 JPIOCOGLVOMICJ-WJTDDFOZSA-N 437.477 5.226 10 1 IKCF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1 587735801 QHGZSBRZPDPVEG-AMXDTQDGSA-N 431.324 5.758 10 1 IKCF CCCCCCc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587822795 RBGKGDGPXDDJLX-NPMXOYFQSA-N 434.393 6.214 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@H]21 587271356 BBDAFGLYNKHSKW-JCGVRSQUSA-N 432.377 5.764 10 1 IKCF Cc1cc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587678551 OCCVRVTXQUIMCF-YPMLDQLKSA-N 443.154 5.162 10 1 IKCF Cc1cc2c(n1-c1ccc(Br)cc1OCc1ccccc1)CC(C)(C)CC2=O 587940985 ONGSEXOTAXBSSD-UHFFFAOYSA-N 438.365 6.282 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4cc(O)cc(-c5ccc6c(c5)OCO6)c4)[nH]c3c2)cc1 586914366 DGBDGZDFUPDFSI-UHFFFAOYSA-N 437.455 5.706 10 1 IKCF Nc1ccc(Oc2ccc3nc([C@H]4Nc5ccc(Cl)cc5[C@H]5C=CC[C@H]54)[nH]c3c2)cc1 587078661 YRROHOSPRFMVMC-GLDPYIMESA-N 428.923 6.417 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(OC5CCC5)cc4)n3)c2C)c1 587924145 IBCAASZRJWDUKB-UHFFFAOYSA-N 446.641 7.538 10 1 IKCF O=C(N[C@@H]1c2c(O)cccc2CC[C@@H]1c1ccccc1)C(c1ccccc1)c1ccccc1 29414895 OEAPKJWXUKPSPY-IRPSRAIASA-N 433.551 6.112 10 1 IKCF COc1ccc(C(=O)O[C@H]2CCC(C)(C)c3ccc4c(c32)C(=O)C(=O)c2c(C)coc2-4)cc1 84688347 PTSRMBSCBNXLOQ-IBGZPJMESA-N 444.483 5.612 10 1 IKCF Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@@H](c2ccc(Cl)cc2)N1 102817780 GRZGEYHQQBTIAR-AUSIDOKSSA-N 441.314 5.402 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(c2ccc(O)cc2O)N1 587821498 IMUUTHRYHGSXDZ-FATZIPQQSA-N 442.328 5.020 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 587823310 TUBOSJMXJYXJFH-ZSEKCTLFSA-N 448.420 6.512 10 1 IKCF Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2cc(Nc3nccc(-c4ccccc4)n3)ccc21 653834973 ONFLBPIRWOZEJY-HZHRSRAPSA-N 443.510 5.872 10 1 IKCF COc1ccccc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587752958 UTSHKMUHIWCNHL-ZLOXQWCVSA-N 443.360 5.628 10 1 IKCF Cc1cc2c(n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)CC(C)(C)CC2=O 587941598 QBVYCVDQSNQGLE-UHFFFAOYSA-N 425.570 7.208 10 1 IKCF Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2onc(C)c2c1 40956276 CYQCFURFQXCIHR-UHFFFAOYSA-N 427.504 5.201 10 1 IKCF O=C(c1ccccc1-c1ccc(F)cc1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71296148 AIHWPPDVXDZNAQ-VWLOTQADSA-N 437.474 5.585 10 1 IKCF CN(CCCC(C)(C)N=[N+]=[N-])[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 253634005 MCTPUCATBKPDNG-FTYJQFIZSA-N 428.665 6.480 10 1 IKCF CCOc1cc(N2CCCC2)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587768278 TZMKSFQLPGLGJC-RCDICMHDSA-N 433.365 5.211 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 587824278 ZIAPSLOUDVBGBV-ZSEKCTLFSA-N 448.420 6.512 10 1 IKCF Cc1c(CCC(=O)Nc2ccc(N)cc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 95581269 KQSYGNACKVYJFK-UHFFFAOYSA-N 430.504 5.188 10 1 IKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cc(Cl)ccc4Cl)c1C)[C@@H](C2)C3=O 587420179 GOUFSRKHDFKFSK-GAJHUEQPSA-N 428.315 5.898 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 587756613 RJDBRDMABJNVIC-UPCLLVRISA-N 439.372 5.480 10 1 IKCF Cc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3cccc(C)c3nc2c1 27723748 USJWWKMTTIHIMT-UHFFFAOYSA-N 434.565 5.186 10 1 IKCF CCN(CC)c1ccc(CN(c2ncc(C)s2)S(=O)(=O)c2ccc(C)cc2)cc1 95589546 JDRCDVZZIVLMMJ-UHFFFAOYSA-N 429.611 5.002 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3cc(C(F)(F)F)ccc3Cl)c1C)O2 587382612 QPHGEEHMZIEPSR-OAQYLSRUSA-N 448.872 6.363 10 1 IKCF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cs1 587020012 BSCJBYCAFGODFT-UHFFFAOYSA-N 437.525 5.332 10 1 IKCF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587044504 GNJMPNUUTLZBAZ-UHFFFAOYSA-N 430.291 5.928 10 1 IKCF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2c1 587271831 JLLHXRXMJQLXIE-IQUTYRLHSA-N 438.871 5.046 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)cc2Cl)N1 587694581 MHSLVGYSEXTNKC-ASSNKEHSSA-N 437.784 5.856 10 1 IKCF CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3ccc(O)c(-c4ccccc4)c3)c2C1 587925468 IKQNUIZULHHCTL-UHFFFAOYSA-N 425.503 6.811 10 1 IKCF Cc1ccc(-c2cn(-c3ccc(Br)cc3)c3c2C(=O)c2ccccc2C3=O)cc1 1857746294 RCSZWLUCHXEBOW-UHFFFAOYSA-N 442.312 5.991 10 1 IKCF OCCC[C@@H]1CC[C@@]2(CC(c3cc(O)c(O)c4c(O)cccc34)=Cc3cc(O)c(O)cc32)C1 2356368058 LOMAVZWOPVEFOI-RXAIFQJESA-N 448.515 5.123 10 1 IKCF CC(=O)Nc1ccc2c(Nc3ccc(CCCCCC(=O)O)cc3)c3ccccc3nc2c1 26844730 YNMIIJIJKVLKFQ-UHFFFAOYSA-N 441.531 6.278 10 1 IKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(C(F)(F)F)c1 587506465 JTCAFNXPGFMYDM-DEOSSOPVSA-N 439.477 6.698 10 1 IKCF CC(=O)c1ccc(-c2cc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)ccc2F)cc1 587139769 VRWJBRHVIIMSMV-UHFFFAOYSA-N 437.474 6.613 10 1 IKCF Cc1cccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 587578461 QRLXADQYFWGZCE-SQHAQQRYSA-N 425.484 5.811 10 1 IKCF Cc1ccc(O)c([C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587821085 GOYKFPFGIRYFPI-WNSKOXEYSA-N 426.329 5.428 10 1 IKCF COc1ccc2c(c1OC)[C@@H](c1cc(C)n(-c3ccc(F)c(F)c3F)c1C)N(C)[C@@H](C)C2 962575215 VTELWIUIVDIYMV-RKNYENMMSA-N 444.497 5.494 10 1 IKCF O=C(O)c1ccc(COc2cccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2)cc1 473151849 RPYTZTMQVABPDR-STZFKDTASA-N 447.537 5.370 10 1 IKCF COc1cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(Cl)c1OCC(C)C 587046444 UWRRPWLNUFORST-UHFFFAOYSA-N 437.927 6.301 10 1 IKCF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1 587353222 MNHMHFCZMIGPGS-XNMGPUDCSA-N 442.442 5.245 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cc(Br)c2O)N1 587679066 QADJUCZWGIXYBG-KWKYVRJSSA-N 449.545 5.333 10 1 IKCF Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587512906 PPFFEXDNZWRCEW-VWLOTQADSA-N 429.516 5.686 10 1 IKCF Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc4c(c3)CCN4C)c2)c1 43198356 XEEPPHMHVMVKLE-UHFFFAOYSA-N 448.570 5.350 10 1 IKCF Cc1cc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)c(C)n1-c1ccccc1F 587922066 JCZAALSPOWAWBJ-UHFFFAOYSA-N 431.536 6.372 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccccc4C(F)(F)F)n3)c2C)c1 587924327 SAGQRYHMRYBNJT-UHFFFAOYSA-N 444.547 7.625 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(Cc3cccc(C)c3)c3ccccc13)CC2=O 587468831 BIJKUFYZNAYAOX-MHZLTWQESA-N 439.555 6.671 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(F)c3[nH]1)[C@@H]1CC=C[C@H]21 587277254 RLKDMPXQOVYRKJ-JCGVRSQUSA-N 443.276 5.508 10 1 IKCF COc1cccc(-c2cccc(-n3c(-c4ccc(F)cc4)cc4c3CC(C)(C)CC4=O)c2)c1 587926056 KABXIYKSLVANPQ-UHFFFAOYSA-N 439.530 7.114 10 1 IKCF COc1cc2c(cc1OC)[C@](CC(=O)c1ccccc1)(c1cc(C)ccc1O)N(C)[C@H](C)C2 962643724 XVSYENMJHZZEJP-WHLCRQNOSA-N 445.559 5.111 10 1 IKCF Cc1ccc(COc2ccc3cc(/C=C4\SC(=S)N(CC(=O)O)C4=O)ccc3c2)cc1 98085202 HJNJHKSENQOWFB-NHDPSOOVSA-N 449.553 5.013 10 1 IKCF CC(=O)N1N=C(c2ccc3c(c2O)C=C[C@@](C)(CCC=C(C)C)O3)C[C@H]1c1cccnc1 169341812 AHZATKWRXLBRCP-JYFHCDHNSA-N 431.536 5.396 10 1 IKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cccc(Cl)c4Cl)c1C)[C@@H](C2)C3=O 587417346 CGTUABCVOOSIPA-HJPURHCSSA-N 428.315 5.898 10 1 IKCF Cc1cc2c(n1-c1cccc(Cl)c1)C[C@H](C)C[C@]21NCCc2ccc(C(=O)N(C)C)cc21 962930837 MRLWQYHVMQZNTE-CBZJRKILSA-N 448.010 5.113 10 1 IKCF Cc1ccc(NC2=CC(Nc3ccc(C)cc3)=C(O)[C@@H]3C(=O)c4ccccc4C(=O)[C@@H]23)cc1 68601217 XNYJZTNWEQKYGK-DQEYMECFSA-N 436.511 5.806 10 1 IKCF biogenic CCCCCCc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587823146 SQXVNERILDFHKY-NPMXOYFQSA-N 434.393 6.214 10 1 IKCF COc1ccc2c(c1)Cc1cc(/N=[N+](\[O-])c3ccc4c(c3)Cc3cc(OC)ccc3-4)ccc1-2 3954391 RRRRLIBKNAGCTJ-FLWNBWAVSA-N 434.495 6.772 10 1 IKCF in-vitro CCCN(CCC)[C@@H](C)CC[C@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 45190049 IAYWVCABORJZDB-OALUTQOASA-N 442.047 7.141 10 1 IKCF COc1ccc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)o2)cc1 71281709 YFYWFDSIULCLPD-JOCHJYFZSA-N 439.471 5.047 10 1 IKCF COc1ccc([N+](=O)[O-])cc1-n1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587510541 BBQJVXZICPAYDA-RUZDIDTESA-N 446.503 5.596 10 1 IKCF [N-]=[N+]=NCCCCCc1nc2nc(C(=O)c3ccccc3)c(-c3ccccc3)c-2c(O)[nH]1 653804926 RPCGIFNCGFNFFV-UHFFFAOYSA-N 426.480 5.536 10 1 IKCF Oc1c([C@@H](Nc2ccccc2)c2c(F)cc(Br)cc2F)ccc2ccccc12 653804981 IZLZMEQLFUZWSE-JOCHJYFZSA-N 440.287 6.788 10 1 IKCF CCC[C@H](CC)c1c(O)c(O)c([C@H](CC)CCC)c([C@H](CC)CCC)c1[C@@H](CC)CCC 5785402 MERZOBJQFOCPRA-WAPCQROESA-N 446.760 10.273 10 1 IKCF Oc1ccc(CCNCCCCCCNCCc2ccc(-c3ccccc3)cc2)cc1O 45202882 CUFKQUPSJUWRJB-UHFFFAOYSA-N 432.608 5.290 10 1 IKCF COC(=O)c1cc(Cl)c2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2c1 587196740 YBCLXNSWXFUZQG-UHFFFAOYSA-N 433.899 6.151 10 1 IKCF CCC[C@@]12C[C@@H](O[C@H](C)[C@H]1O)c1ccc3c(c1N2)C(=O)c1ccc2cc(C)ccc2c1C3=O 2356704024 FRAARNLUWMVPMQ-NBRJBDBJSA-N 441.527 5.099 10 1 IKCF CCN1/C(=C/C=C/c2oc3ccc4ccccc4c3[n+]2CC)Oc2ccc3ccccc3c21 3878520 OJVKTLIEOIDYQI-UHFFFAOYSA-N 433.531 6.820 10 3 IKCF C[C@@H](/N=N/c1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccc(N2CCOCC2)cc1 169690364 IYLAKXJVLSLUML-SVIHTAPPSA-N 443.718 5.422 10 1 IKCF O=C(O)[C@@H]1CCCN(CCCC=Cc2ccc(N=Nc3cccc4ccccc34)cc2)C1 1857629522 NGTAWFALOMYQOB-HSZRJFAPSA-N 427.548 6.845 10 1 IKCF COc1cc2c3c(c1)O[C@H](c1c(C)n(Cc4ccccc4F)c4ccccc14)[C@@H](C2)C3=O 587425554 DYDXSPAUAHGENL-DCFHFQCYSA-N 427.475 5.634 10 1 IKCF Cc1cc(-c2csc(-c3cccc(Br)c3)n2)c(C)n1-c1ccccc1F 587922587 QQHATELRZLNSHX-UHFFFAOYSA-N 427.342 6.786 10 1 IKCF Oc1cc(-c2ncc(-c3ccc(OCc4ccccc4)cc3)o2)cc(Br)c1O 1857541631 AXOYIZWIYCLVSF-UHFFFAOYSA-N 438.277 5.761 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(c2ccccc2O)N1 587830589 DRHMQEPJAOSVGF-UPCLLVRISA-N 440.356 5.704 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc([C@@H](C)Cn4cc(Cl)cn4)n3)c2C)c1 587924448 YYZXKLMYOTUOPS-AWEZNQCLSA-N 443.041 6.593 10 1 IKCF Cc1cc(C=O)c(C)n1-c1cccc([C@]2(C)c3cccc(Br)c3CCN2C)c1 963289052 IKODQTOIORSQKM-XMMPIXPASA-N 437.381 5.421 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c21 587047760 BLSQFQGSFHFODK-HUUCEWRRSA-N 433.294 5.916 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Oc4ccccc4)cc3[nH]1)[C@H]1CC=C[C@H]21 587277240 REOYTROLERXFQP-RLSLOFABSA-N 438.487 6.398 10 1 IKCF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F 587727640 ORIXYMHZKROUIA-IPQOISQHSA-N 431.324 5.758 10 1 IKCF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2c2[nH]c3ccccc3c2C)cc1 28950917 MRSAMIOIFPIIMR-VWLOTQADSA-N 428.488 5.257 10 1 IKCF COc1ccccc1Nc1c2ccccc2nc2ccc(C(C)C)c(NS(C)(=O)=O)c12 101499090 JJYQNEHNJWSEJN-UHFFFAOYSA-N 435.549 5.635 10 1 IKCF O=c1c2cn[nH]c2c2ccc(-c3cccnc3NC3CCCCC3)cc2n1CC(F)(F)F 205533339 IZVAQJRHGYWIRI-UHFFFAOYSA-N 441.457 5.247 10 1 IKCF O=S(=O)(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccc2ccccc2c1 617960065 NHMHLYHTYJOLFP-UHFFFAOYSA-N 430.283 5.262 10 1 IKCF CC[C@]12C=Cc3c(O)c(O)cc4c3[C@@]1(CCC2)CC(c1cc(O)c(O)c2c(O)cccc12)=C4 2356358146 XPXWPLUTGTUOBV-WUFINQPMSA-N 442.511 6.157 10 1 IKCF COc1ccc(N2CCCCC2)c(Nc2cc(C(F)(F)F)nc(-c3cccnc3)n2)c1 52565251 HZQJZTWTJHMFAX-UHFFFAOYSA-N 429.446 5.300 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(SC(F)(F)F)ccc4[nH]3)cc2)cc1 587195034 FHRCVDOIXLMBKB-UHFFFAOYSA-N 441.482 7.323 10 1 IKCF Cc1nc2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2cc1Br 587195337 HHHYTYLIDJMLFI-UHFFFAOYSA-N 435.329 6.177 10 1 IKCF CN(C)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(Cl)ccc12 27728621 GPPJQBFHHZZIDR-UHFFFAOYSA-N 440.956 5.223 10 1 IKCF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 963640616 WUSJQCTYAQTMLH-MQJONPSNSA-N 433.592 5.501 10 1 IKCF O=C(C(=O)c1cn(Cc2ccc(F)cc2)c2ccc(O)cc12)c1c(Cl)cncc1Cl 103258097 DNDXMIVKQRLJGL-UHFFFAOYSA-N 443.261 5.302 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2)cc1 587194919 CZFBMZCVWVHJGD-UHFFFAOYSA-N 445.836 6.174 10 1 IKCF COc1cc(C(=O)c2cn(-c3ccc(N)cc3)cc2-c2ccccc2F)cc(OC)c1OC 1857551790 FHFMPWRXMDNSLN-UHFFFAOYSA-N 446.478 5.122 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(O)cc2O)N1 587821499 IMUUTHRYHGSXDZ-LFVRLGFBSA-N 442.328 5.020 10 1 IKCF CCN(CC)C(=O)c1ccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc2c1 28571321 AQOIQRMMKJHQDJ-UHFFFAOYSA-N 436.559 6.006 10 1 IKCF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587247891 WVLBOMFVTMMFQU-UHFFFAOYSA-N 436.515 6.352 10 1 IKCF O=C(N[C@H](c1ccc(Cl)cc1)c1c(O)ccc2oc3ccccc3c12)c1ccccc1 72175068 QNSCOCIBIDZNER-RUZDIDTESA-N 427.887 6.464 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(F)cc3[nH]1)[C@H]1CC=C[C@H]21 587277177 PYXMZSGLGPXIGL-ZKTNFTSUSA-N 443.276 5.508 10 1 IKCF Cc1cc(N[C@@H](c2cc(Cl)ccc2Cl)c2ccc3cccnc3c2O)ncc1F 202328138 CFWLIDOHUBPDBN-OAQYLSRUSA-N 428.294 6.291 10 1 IKCF Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)c(/N=N/c2ccc(Cl)cc2)s1 98083104 GMLVNCISBUSZQU-BYYHNAKLSA-N 433.924 6.713 10 1 IKCF CN(C)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1 103903583 ZRQOKDHITPZJJW-VWLOTQADSA-N 429.564 5.955 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c21 587148628 CUIQIVMXEDWSJJ-XMMPIXPASA-N 447.469 5.679 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587273023 YYYTYPKXPOBVNI-LPMFXHHGSA-N 425.286 5.369 10 1 IKCF CN(C)c1ccc(-c2[nH]c3cccc(F)c3c2-c2nc3ccccc3c3ccccc23)cc1 587634815 FNJLKIPSGKLMCY-UHFFFAOYSA-N 431.514 7.408 10 1 IKCF Cc1cc(-c2csc(CC(=O)Nc3ccc(Cl)cc3)n2)c(C)n1-c1ccccc1F 587922200 LFYSOUROLRIWAN-UHFFFAOYSA-N 439.943 6.191 10 1 IKCF O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@@H]1c1cccc(F)c1O 71340344 SIUQZYNLSGJJCF-HXUWFJFHSA-N 444.491 5.041 10 1 IKCF Cc1ccc(N2C(=O)c3ccccc3S[C@@H]2c2cc(Br)ccc2O)cc1 73275780 DTLXDHRKSABKSF-OAQYLSRUSA-N 426.335 5.914 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(Br)ccc3Cl)[nH]c21 586980092 IJPMTCIZWMFWTK-UHFFFAOYSA-N 437.680 5.421 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)[C@H]1CC=C[C@H]21 587272581 VPUPCTAHIHQFAC-ZKTNFTSUSA-N 425.832 5.168 10 1 IKCF Cc1cc(-c2csc(COc3ccc(F)cc3Cl)n2)c(C)n1-c1ccccc1F 587921822 AZDVMUIVSHSMKV-UHFFFAOYSA-N 430.907 6.728 10 1 IKCF O=C(O)[C@H]1CCCN(CCCC=Cc2ccc(N=Nc3cccc4ccccc34)cc2)C1 1857629523 NGTAWFALOMYQOB-QHCPKHFHSA-N 427.548 6.845 10 1 IKCF CCc1cc(/N=N/c2cccc3c2C(c2ccccc2Cl)=N[C@H](C)C(=O)N3)ccc1O 29125523 RZSQJBODSKIQGW-AIPIOJKYSA-N 432.911 6.201 10 1 IKCF CN1CCN(c2cc(Nc3ccc(Cl)cc3)c3c4c(onc24)-c2ccccc2C3=O)CC1 1772628931 HMKDWQSOIHYHPS-UHFFFAOYSA-N 444.922 5.188 10 1 IKCF Cc1c(CNC2CCCCCC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1857559834 WEUKZWMAFRGBIQ-UHFFFAOYSA-N 427.419 7.572 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1cccc(O)c1)CCC2(C)C 84687432 RAOUYZFRVPDETA-LJQANCHMSA-N 444.483 5.238 10 1 IKCF CCN(CC)c1ccc(/C=C2\SC(=S)N(CCc3c[nH]c4ccccc34)C2=O)cc1 1772580276 SIECSNDHOONMOH-JCMHNJIXSA-N 435.618 5.458 10 1 IKCF CCCCCCc1ccc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587822791 RBGKGDGPXDDJLX-CMJOXMDJSA-N 434.393 6.214 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(Sc5ccccc5)ccc4[nH]3)cc2)cc1 587194989 DUSPMBLEKJCOIV-UHFFFAOYSA-N 449.583 7.863 10 1 IKCF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(=O)C(=O)c3ccccc3)cc1)CC2=O 587491651 XYBXTFLNHZEUDX-HHHXNRCGSA-N 428.484 5.291 10 1 IKCF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@]1(C)CCc2c(C)c(C)c(O)c(O)c2O1 2356778279 QLPJBLZJTMXETL-NDEPHWFRSA-N 426.641 7.998 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(Cc3ccccc3)c3ccccc13)CC2=O 587472109 YERAHYXKEHDDIN-SANMLTNESA-N 425.528 6.363 10 1 IKCF Cc1ccc(/C(=C(\CCCO)c2ccccc2)c2ccc(N3CCN(C)CC3)cc2)cc1 1857571199 PZDWZAMMWRBRBP-ZIADKAODSA-N 426.604 5.478 10 1 IKCF COC(=O)CCCCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)SC1=S 28637460 HCQHWQMRXIGULV-HKWRFOASSA-N 442.606 5.029 10 1 IKCF Cc1ccc(OCc2ccc(F)cc2)c(-c2ccc(C)n2-c2ccc(F)c(C(=O)O)c2)c1 28707632 IDVFBZMFOPWQDA-UHFFFAOYSA-N 433.454 6.317 10 1 IKCF Cc1cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2cc1Br 587196026 OWTSRQXJLPGHHK-UHFFFAOYSA-N 434.341 6.782 10 1 IKCF COc1ccccc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587751745 OIAQQJWPHZODQI-ZAMGYDSWSA-N 443.360 5.628 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(Cc3ccc(C)cc3)c3ccccc13)CC2=O 587470266 JTNPVGKHUBBFIY-MHZLTWQESA-N 439.555 6.671 10 1 IKCF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 587699654 RHENMEUYSPMSDF-IPQOISQHSA-N 447.779 6.273 10 1 IKCF Cc1sc(N)nc1-c1ccc(CCN2CCN(c3cccc4ccccc34)CC2)cc1 607479 IBCPOBSZTPUMBP-UHFFFAOYSA-N 428.605 5.219 10 1 IKCF Cc1ccc([C@H](NC(=O)CN(C)c2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 40899974 LXYGEWKTQYLOOA-DEOSSOPVSA-N 445.950 5.244 10 1 IKCF CC(C)=CCC/C(C)=C/CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 238759798 UYMNZDPUODNYKW-SICWBLJQSA-N 438.520 5.841 10 1 IKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 587552475 RRGTZGNXAOZXIT-JYFHCDHNSA-N 445.902 6.156 10 1 IKCF CCCCCCc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587822793 RBGKGDGPXDDJLX-IQMFZBJNSA-N 434.393 6.214 10 1 IKCF c1ccc(/N=N/c2ccc(CN3CCN([C@H]4CC[C@@H](c5ccccc5)CC4)CC3)cn2)cc1 1857548796 YZSOQMZFWBOWEV-PBZNVEDGSA-N 439.607 6.341 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1cccc(F)c1)CCC2(C)C 84703834 PBQAPBOBOFQEOK-IBGZPJMESA-N 446.474 5.672 10 1 IKCF Cc1c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cnn1-c1ccc(Cl)cc1 587076560 WLBKXASHTSVMPS-UHFFFAOYSA-N 438.874 5.153 10 1 IKCF CC[C@]1(c2ccc(C)cc2O)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963853658 HIEVDRWILUWBFM-NIYFSFCBSA-N 439.552 5.299 10 1 IKCF O=C1CS[C@H](c2ccccc2O)N1c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1 1653651 BACFPTPXYBNCNG-OAQYLSRUSA-N 432.328 6.270 10 1 IKCF O=[N+]([O-])c1ccc(NN/N=N/c2ccc(-c3nc4ccccc4s3)cc2)c([N+](=O)[O-])c1 6040996 VKWKUUIYUVVQTR-UHFFFAOYSA-N 435.425 5.395 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1ccccc1F)CCC2(C)C 84688837 XACHSOCHCABXBD-SFHVURJKSA-N 432.447 5.743 10 1 IKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1Cl 587544585 FNMOKJYNWHAWDY-ZEQKJWHPSA-N 445.902 6.156 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)cc2O)N1 587808157 NIMZQVJPTFUCKN-QKFKETGDSA-N 442.328 5.496 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4cc(-c5cccc(C=O)c5)ccc4Cl)[nH]c3c2)cc1 587048985 FVMNFCJULOPXQW-UHFFFAOYSA-N 439.902 6.737 10 1 IKCF Cc1cc(-c2csc(-c3cccc(-c4nnc(N)o4)c3)n2)c(C)n1-c1ccccc1F 587921828 BKHHVZKQQVEPQM-UHFFFAOYSA-N 431.496 5.656 10 1 IKCF COc1ccc(-c2ccc(O)c([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 587806352 IAPGUHYHAKKDFA-JCQPUDPBSA-N 442.328 5.593 10 1 IKCF COC(=O)c1ccc(-n2c(C)cc([C@@H]3c4cc(OC)ccc4CCN3C(C)C)c2C)cc1 962088284 FUVSRNVIWNWCBU-AREMUKBSSA-N 432.564 5.245 10 1 IKCF CC[C@H](C)C(=O)c1c(O)c2c(-c3ccccc3)cc(=O)oc2c2cc(C(C)(C)OC)oc12 14616139 PSBCHGQXBPONOM-AWEZNQCLSA-N 434.488 6.022 10 1 IKCF biogenic,in-vitro CCC[C@H](CC)c1c([C@@H](CC)CCC)c([C@H](CC)CCC)c(O)c(O)c1[C@H](CC)CCC 17249059 MERZOBJQFOCPRA-CJRSTVEYSA-N 446.760 10.273 10 1 IKCF CCOC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 38320229 XVFJRUXOIOTTGA-YBEGLDIGSA-N 437.464 5.288 10 1 IKCF Oc1ccccc1CNCCCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 95558755 YNMJBNMTGPFCKD-UHFFFAOYSA-N 438.015 6.235 10 1 IKCF O=C1c2ccccc2C(=O)c2c1cc(NCc1ccc(C(F)(F)F)cc1)c1nsnc21 219741615 XVEVGFKYHIKRFC-UHFFFAOYSA-N 439.418 5.098 10 1 IKCF Cc1cc(-c2csc(/C(=C/c3ccccc3O)C(N)=O)n2)c(C)n1-c1ccccc1F 587921829 BLYQJTSLWKSCSW-LDADJPATSA-N 433.508 5.088 10 1 IKCF Cc1c([C@@H]2c3cccc(Br)c3CCN2C)c2ccccc2n1Cc1ccccc1 963278313 AHZLMVMUZVEIEN-SANMLTNESA-N 445.404 6.338 10 1 IKCF Cc1cc2nc(N3C(=O)/C(=C/c4ccc(Cl)cc4)N=C3c3ccccc3)sc2cc1C 6019468 SGUYHQOXXUAGBS-STZFKDTASA-N 443.959 6.401 10 1 IKCF CCOC(=O)Cc1c(-c2ccccc2)c2c(n1-c1ccc(C)cc1)C(=O)c1ccccc1C2=O 1857758662 DRHPVEZCGBSUBY-UHFFFAOYSA-N 449.506 5.334 10 1 IKCF COC(=O)c1ccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587510601 BMAABKWIICDULR-RUZDIDTESA-N 429.516 5.466 10 1 IKCF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cccc(-c3cccc(C(=O)O)n3)c2)s1 587936483 DBXQWQQCENNNFC-UHFFFAOYSA-N 432.501 5.292 10 1 IKCF Cc1ccc(-c2cc3c(n2-c2cc(Cl)cc(Br)c2)CC(C)(C)CC3=O)cc1 587941243 QOTLGZJQKHUMME-UHFFFAOYSA-N 442.784 7.024 10 1 IKCF Cc1cc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(C)n1-c1ccc(Cl)cc1 962696888 HARJOBWIKJABKT-NBGIEHNGSA-N 441.015 6.340 10 1 IKCF CCN(CC)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccc(C(C)C)cc2)cc1 95591946 RJGQTAJDZYVVIZ-UHFFFAOYSA-N 436.621 6.052 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587748950 CBSHYRRRIBOEDT-PSLXWICFSA-N 427.361 5.928 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)NCc4ccccc4)n3)c2C)c1 587924413 XIQWGOFZURVCNI-UHFFFAOYSA-N 447.629 5.798 10 1 IKCF Oc1c(Br)cc(Br)cc1CNc1ccccc1Br 72177548 XRDPZXVOYLRZGY-UHFFFAOYSA-N 435.941 5.292 10 1 IKCF Cc1cccc(Cn2c(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)c1 587515379 LUCBQWUKYNYBSC-MUUNZHRXSA-N 435.567 6.892 10 1 IKCF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 587704119 SGTYNTOLMAJBFR-YTEVENLXSA-N 447.779 6.273 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc([C@H](C)Cn4nc(C)cc4C)n3)c2C)c1 587924293 QFKBWJCOVVEHJQ-OAHLLOKOSA-N 436.650 6.557 10 1 IKCF CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3ccc(-c4cccc(F)c4)c(F)c3)c2C1 587943577 JLVLGIZHUZZHDK-UHFFFAOYSA-N 445.484 7.384 10 1 IKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(Cc2ccccc2)c1O 28012709 RMJUOEQCLKFUBV-UHFFFAOYSA-N 445.994 6.770 10 1 IKCF O=S(=O)(c1ccc(Cl)cc1)C1CCC(=C2c3ccccc3CCc3ccccc32)CC1 473136244 OPUDYVJIPMCMBN-UHFFFAOYSA-N 449.015 6.657 10 1 IKCF Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3N(C)C)c3cccc(C)c3nc12 27735848 YGQLLSCWYRWRQF-UHFFFAOYSA-N 434.565 5.186 10 1 IKCF CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@H]1n1cc(-c2ccccc2)nn1 96937845 WBTLXJMRDVPJHD-MHZLTWQESA-N 443.510 5.955 10 1 IKCF O=C1C[C@]2(C=C(c3ccccc3)Oc3c2ccc(O)c3O)Oc2c1ccc1c2CCCC1 587534350 ZDUCJBAJEOELCU-HHHXNRCGSA-N 426.468 5.271 10 1 IKCF O=C1NC(=S)S/C1=C\c1cc(-c2coc3ccccc23)ccc1OCc1ccccc1 36184605 PAWZKWILVPWSFH-QRVIBDJDSA-N 443.549 6.168 10 1 IKCF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587114232 RKPRUFIIIURNSO-CYBMUJFWSA-N 434.417 5.703 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cnc5cc(C)nn5c4)n3)c2C)c1 587925078 NEINUJQIMZTHGI-UHFFFAOYSA-N 431.590 5.958 10 1 IKCF COc1cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c2c1C[C@H]1C(C)(C)CCC[C@]1(C)O2 14825119 DVUORASKJFBCTF-NVQXNPDNSA-N 436.504 5.400 10 1 IKCF biogenic Nc1ccc(Oc2ccc3nc(-c4cc(Cl)cc(-c5ccc(CO)cc5)c4)[nH]c3c2)cc1 587068038 WQOMLAMFRFZXGY-UHFFFAOYSA-N 441.918 6.417 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cc4c(cc3C)OCCO4)c1C)CC2=O 587471264 PFMIYFMITMLEBO-XMMPIXPASA-N 447.531 5.538 10 1 IKCF CC(C)=CCCC(C)=CCCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2 2356627735 UYMNZDPUODNYKW-HSZRJFAPSA-N 438.520 5.841 10 1 IKCF Cc1ccc(OCc2ccc(F)cc2)c(-c2ccc(C)n2-c2cc(N)c(C)c(C(=O)O)c2)c1 28707719 BTXOWLVLHSEQDY-UHFFFAOYSA-N 444.506 6.068 10 1 IKCF CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)C(=S)c2ccccc2N=C1C 84604540 SGZNQWHXUPUTNA-UHFFFAOYSA-N 447.430 5.739 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4cccc(OCn5cc(Cl)cn5)c4)[nH]c3c2)cc1 587081824 HEXJUGYZQNGTIQ-UHFFFAOYSA-N 431.883 5.491 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c5ccccc5c5ccccc5c4[nH]3)cc2)cc1 587196092 QGLKRXCOTMJRSC-UHFFFAOYSA-N 441.538 8.018 10 1 IKCF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(C)C 587756911 SVIQXJIQKAKKOK-LFVRLGFBSA-N 429.377 6.131 10 1 IKCF CCN(CC)c1ccc(CN(C2CCCCC2)S(=O)(=O)c2ccc(OC)cc2)cc1 95592401 ZAWKJKUJHNYFAU-UHFFFAOYSA-N 430.614 5.065 10 1 IKCF CC[C@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587676848 GGTZHRLABBHENU-MGNBDDOMSA-N 443.154 5.244 10 1 IKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccccc2)c1O 28007695 RPPQWHAYNOGHIT-UHFFFAOYSA-N 431.967 6.846 10 1 IKCF COc1cccc(CNCCCNc2ccnc3cc(Cc4ccccc4)ccc23)c1O 72124507 FDGDLJJFDKVIHT-UHFFFAOYSA-N 427.548 5.132 10 1 IKCF Cc1ccc(C)c2c(/N=N/C(=O)/C(=C\c3ccccc3)NC(=O)c3ccccc3)c(O)[nH]c12 103969357 VWDVPFBGQCHTLJ-HQUZONNCSA-N 438.487 5.572 10 1 IKCF Cc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587678550 OCCVRVTXQUIMCF-XTZNXHDOSA-N 443.154 5.162 10 1 IKCF O=C(Nc1ccccc1)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCCCC3)c12 1772614293 PSIAERLGJWPGHG-UHFFFAOYSA-N 426.516 6.044 10 1 IKCF CSc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(C(C)C)cc2)cc1 64454234 QEQFEGYBYJPTTK-UHFFFAOYSA-N 436.690 6.847 10 1 IKCF COc1ccc(C2=C(c3ccccc3)[C@H]3C(=O)c4ccccc4C(=O)[C@]23OC)c2cccnc12 96934485 VDPZJLNKRVPVHQ-SVEHJYQDSA-N 447.490 5.248 10 1 IKCF COc1ccc([C@@H](Nc2nc3ccccc3s2)c2c(O)ccc3ccccc23)cc1OC 169351663 AZBMRFHVHXDFEH-RUZDIDTESA-N 442.540 6.374 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cc3ccccc3)ccc2O)N1 587823315 TVLDZIJGNGZNIE-PSLXWICFSA-N 426.329 5.508 10 1 IKCF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CNCc4ccccc4O)C=C3C)[nH]c2c1 2356286718 NEKFVUNFQVQGOG-QNWVGRARSA-N 433.596 5.464 10 1 IKCF CC(C)Oc1ccc(C2CCN(Cc3ccc(N)cc3)CC2)cc1NC(=O)c1ccccc1 96285576 SCYCEYBZOOCJHQ-UHFFFAOYSA-N 443.591 5.688 10 1 IKCF O=C(Cc1sc(/N=N/Cc2ccccc2O)nc1O)Nc1cccc(C(F)(F)F)c1 169728280 KIGOWWJXMRPCFO-WNAAXNPUSA-N 436.415 5.038 10 1 IKCF Cc1ccc(-c2nnc(SCc3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)n2C)cc1 586965887 UGTFHALWBPGBTF-UHFFFAOYSA-N 442.548 5.334 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc4ccccc4c3)c1C)CC2=O 587471819 VRPPZVBKIMTLKF-HHHXNRCGSA-N 425.528 6.612 10 1 IKCF Cc1cc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)c(C)n1-c1ccc(C(C)C)cc1 653843542 YNOUKGFTOPZUGJ-UHFFFAOYSA-N 445.695 6.160 10 1 IKCF Oc1ccc2c(c1)C=Cc1cc(O)c(O)c(c1)Oc1ccc(cc1)CCc1cccc(c1)O2 2356423474 AWRXEILMVYDSJV-UHFFFAOYSA-N 438.479 6.657 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)[C@H]1CC=C[C@H]21 587277156 PVFVGQQOXRLDFL-NWLBTCKQSA-N 448.486 5.702 10 1 IKCF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OCc4ccccc4)cc3)C2)cc1 1772605309 RZICSQOQDIUEHQ-DCFHFQCYSA-N 430.548 5.120 10 1 IKCF Cc1cc2c(C)c(O)c(O)cc2c2c1[C@]1(C)CC[C@]3(C)CC[C@](C)(C(=O)O)C[C@@H]3[C@@]1(C)C=C2 2356489975 RBDGQMZJUTZCHP-CLFZCTPNSA-N 448.603 6.850 10 1 IKCF O=C(Nc1cccc([C@H]2Nc3ccc4ccccc4c3[C@@H]3C=CC[C@@H]23)c1)c1ccc(F)cc1 195499800 ZZIXCHIEESZZDI-INNMJMHTSA-N 434.514 7.058 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)[C@H]1CC=C[C@@H]21 587271362 BBDAFGLYNKHSKW-VBHSOAQHSA-N 432.377 5.764 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)n(Cc3ccc(Cl)cc3)c3ccccc13)O2 587378876 RCOIKPNIPHTKDM-DEOSSOPVSA-N 430.935 6.249 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2O)N1 587704846 WSFVGFGBWXXMRJ-MCMMXHMISA-N 446.747 5.773 10 1 IKCF Cc1c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(C)C 587756913 SVIQXJIQKAKKOK-PSLXWICFSA-N 429.377 6.131 10 1 IKCF Oc1c(Cl)cc(Cl)cc1CNc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1 72111413 IIQMHIUTIPJPSQ-UHFFFAOYSA-N 444.745 7.910 10 1 IKCF Cc1ccc(C(=O)N[C@@H](C)c2ccc(C3CN(c4ccc(OCC5CC5)cc4)C3)cc2)o1 149933698 CQQMIYSKBZHAKY-IBGZPJMESA-N 430.548 5.472 10 1 IKCF O=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1ccc(Br)cc1 169730531 ASSNMLNFWJDBQF-CYYJNZCTSA-N 429.277 6.508 10 1 IKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2cc1Br 587271287 AFZGVYVYMCLXJE-PJSUUKDQSA-N 439.313 5.677 10 1 IKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C[C@@H]1C(=O)c2ccccc2C(=O)[C@@H]1C 4245696 JKOZDGHYJBZMGU-MVFADMRVSA-N 446.675 8.854 10 1 IKCF FC(F)(F)C(F)(F)c1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cn1 587078675 ZCCOXOKQTRJQMH-RVPKQNPDSA-N 440.803 6.092 10 1 IKCF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1 587196278 RWLGFJGLOICRPX-UHFFFAOYSA-N 427.508 5.817 10 1 IKCF CC[C@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587676590 FNLIFZWIVSLKFH-XTZNXHDOSA-N 443.154 5.244 10 1 IKCF Cc1cc(-c2csc([C@H]3CCN(C(=O)OC(C)(C)C)C3)n2)c(C)n1-c1ccccc1F 587922308 ODKRQIOIGSLVCQ-KRWDZBQOSA-N 441.572 6.081 10 1 IKCF CCn1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)[n+](CCO)c2cc3ccccc3cc21 13452972 MMVCQYGFJNLHIB-UHFFFAOYSA-N 438.595 5.419 10 1 IKCF Cc1ccc2c(c1)[C@@H](C(=S)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 27894812 DPHCHNOPDDIKIK-SANMLTNESA-N 429.629 7.706 10 1 IKCF COc1ccc(C/N=N/c2nc(O)c(CC(=O)O)s2)cc1OCc1ccc(Cl)cc1 169689093 YOJCSZOXEIONES-ZNTNEXAZSA-N 447.900 5.001 10 1 IKCF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587204382 UWJYNPGQFIXDOS-UHFFFAOYSA-N 443.507 5.454 10 1 IKCF O=C(O)c1cccc(CN2C(=O)/C(=C(\c3ccccc3)c3cccnc3)c3ccccc32)c1 96270364 IHLPWSQJQIQBPW-OCEACIFDSA-N 432.479 5.286 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 587272138 OADVVPOZNFZGAF-VBHSOAQHSA-N 425.286 5.369 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@](CSc1ncc(C)s1)(c1ccc(Cl)cc1)O2 587415383 ZPWNJEQILMPDTE-NRFANRHFSA-N 430.982 5.649 10 1 IKCF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 587732031 MSIFIWICBVGGPS-VERVWZFWSA-N 431.324 5.758 10 1 IKCF Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3c2C(=O)c2ccccc2C3=O)cc1 5160645 BFNZVYWRXDMFFM-UHFFFAOYSA-O 428.556 5.022 10 1 IKCF Cc1c(OCc2ccccc2)c(=O)ccn1CCNc1c2ccccc2nc2ccccc12 169341730 MOLJRZVNOBJINS-UHFFFAOYSA-N 435.527 5.549 10 1 IKCF CCc1ccccc1OC[C@]1(c2ccc(O)cc2O)c2cc(OC)ccc2CCN1C(C)C 962086978 DXMJFZBJQZRSNP-NDEPHWFRSA-N 447.575 5.258 10 1 IKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(N4CCN(C)CC4)cc3)c2c1 53190760 NMDDEXFRYBASBH-UHFFFAOYSA-N 432.955 5.545 10 1 IKCF CC(C)c1ccc2[nH]c(O)c(/N=N\C(=O)c3ccc(CSc4nncn4C)cc3)c2c1 13122862 LJOLNCCESFLBQY-QPLCGJKRSA-N 434.525 5.342 10 1 IKCF Cc1ccc(-c2cc(F)ccc2OCc2ccc(F)cc2)n1-c1ccc(F)c(C(=O)O)c1 28707634 ZUPCVYGGSFLSRG-UHFFFAOYSA-N 437.417 6.147 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c21 587063091 OBEXHOABVDOGQS-UHFFFAOYSA-N 448.909 6.250 10 1 IKCF CC(C)c1ccc(-c2c(F)cc(-n3nnc4c3C(=O)c3ccccc3C4=O)cc2F)cc1 1911574115 UVOILQWCBOYCMK-UHFFFAOYSA-N 429.426 5.111 10 1 IKCF CCCCOC(=O)Oc1cccc2c1C(=O)c1c(OC(=O)OCCCC)cccc1C2=O 13454767 LCYZGVSSIPHCHX-UHFFFAOYSA-N 440.448 5.093 10 1 IKCF CO[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@@H]1N=[N+]=[N-] 17192023 NBKQFQWEPBVLEY-IYWMVGAKSA-N 438.311 5.146 10 1 IKCF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)CN2CCc4ccccc4[C@H]2N3C)cc1 95577699 UACCYHYWHFDBIH-SANMLTNESA-N 427.548 5.928 10 1 IKCF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F 587727642 ORIXYMHZKROUIA-VERVWZFWSA-N 431.324 5.758 10 1 IKCF COc1ccc(-c2cc3c(n2-c2ccc(O)c(-c4ccccc4)c2)CC(C)(C)CC3=O)cc1 587927270 SICZIZSTMGVBHU-UHFFFAOYSA-N 437.539 6.681 10 1 IKCF CC1(C)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@H]1n1cc(-c2ccccc2)nn1 96937844 WBTLXJMRDVPJHD-HHHXNRCGSA-N 443.510 5.955 10 1 IKCF Cc1ccc(O)c([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587821084 GOYKFPFGIRYFPI-NPMXOYFQSA-N 426.329 5.428 10 1 IKCF COc1cccc(C=C2C(=O)N(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)c1 653767928 UVCYAELTNGTVHX-UHFFFAOYSA-N 439.298 5.380 10 1 IKCF O=c1c(Cc2ccc(-c3ccccc3)cc2)c(-c2ccc(O)cc2)oc2cc(O)c(O)cc12 40404878 STHKIFKPJCKJAJ-UHFFFAOYSA-N 436.463 5.835 10 1 IKCF CCOc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587764085 BZAHGCZQZAJHAY-RCDICMHDSA-N 433.365 5.211 10 1 IKCF COc1cccc(C(=O)N[C@H](C=Cc2ccccc2)c2cc(Cl)c3cccnc3c2O)c1 1857621527 MIDIVLDQHNVZLB-HSZRJFAPSA-N 444.918 5.787 10 1 IKCF O=C(O)c1cccc(N2N=C(c3ccccc3)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)c1 653821096 SQOXEZFEMGRSIQ-QJOMJCCJSA-N 434.451 5.479 10 1 IKCF CCOc1cc(/C=C/c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)ccc1OC(F)F 587129987 INXKUMQCBZFMNP-UUILKARUSA-N 437.446 6.108 10 1 IKCF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587195874 MGBANXMPWKECAP-UHFFFAOYSA-N 444.535 6.284 10 1 IKCF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccc(F)cc2)c(Br)c1 587638156 MKSMDXLXSKUGHS-UHFFFAOYSA-N 440.268 6.110 10 1 IKCF Cc1ccc(-c2cc(C(=O)N=Nc3c(O)[nH]c4ccc(Br)cc34)n[nH]2)s1 617960107 NPUUVXMJVHFMMC-UHFFFAOYSA-N 430.287 5.320 10 1 IKCF CC1(C)CCCN(Cc2c(O)ccc3c(O)c(-c4nc5ccccc5s4)c(=N)oc23)C1 13656208 LJOIDUOJWKRCJN-UHFFFAOYSA-N 435.549 5.222 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4nnn(Cc5cccc(F)c5)c4Cl)[nH]c3c2)cc1 587160404 CDUGFEUJZZLTCX-UHFFFAOYSA-N 434.862 5.037 10 1 IKCF COc1c(CC=C(C)C)c(O)c2c(c1CC=C(C)C)O[C@@H](c1ccc(O)c(O)c1)CC2=O 14727539 JYYYAFQRQMMXDY-JOCHJYFZSA-N 438.520 5.536 10 1 IKCF biogenic,in-vitro Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc2c(c1)OCCO2 587512038 KFUKGEADGJKZAA-RUZDIDTESA-N 429.516 5.451 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 587823306 TUBOSJMXJYXJFH-LRTDBIEQSA-N 448.420 6.512 10 1 IKCF Cc1cc(-c2csc(/C(=C/c3ccccc3O)C(=O)O)n2)c(C)n1-c1ccccc1F 587921980 FSTKPZONWBBPLZ-PDGQHHTCSA-N 434.492 5.688 10 1 IKCF O=c1oc2ccccc2c2oc3c(Br)cc(O)c(CN4CCCCC4)c3c12 1857584385 YGAXNFOSKCEUJA-UHFFFAOYSA-N 428.282 5.146 10 1 IKCF CC(C)=C[C@H]1Oc2cc(O)c(O)cc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)C=C4 13373177 SUXAIEIHGDSOAY-LJQANCHMSA-N 434.444 5.161 10 1 IKCF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2O)N1 587704845 WSFVGFGBWXXMRJ-DMZKTXOQSA-N 446.747 5.773 10 1 IKCF Cc1ccnc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587749793 GCJBWQGXULNUQQ-XMHCIUCPSA-N 428.349 5.323 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4ccc([N+](=O)[O-])cc4)n3)c2C)c1 587924231 NKZLKEOFOQSMRL-UHFFFAOYSA-N 435.574 6.439 10 1 IKCF CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)c2ccncc2)cc1 38799675 NOSFESUGDNNCFP-UHFFFAOYSA-N 428.941 5.064 10 1 IKCF Oc1ccc2ccccc2c1[C@H](Nc1nc2c(Cl)cccc2s1)c1ccc(F)cc1 169351598 NELDWWXCXQQZLN-JOCHJYFZSA-N 434.923 7.149 10 1 IKCF Cc1cccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587751454 MNNNBMMQXCXMKK-QKFKETGDSA-N 427.361 5.928 10 1 IKCF COc1ccc(O)c([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587804625 BLTFIJRVNJXDQY-FATZIPQQSA-N 442.328 5.129 10 1 IKCF CSc1ccc(-c2ccc([C@H]3c4ccsc4CCN3Cc3cccnc3)c(O)c2)cc1 962996334 JABJSRLOSDTOPD-SANMLTNESA-N 444.625 6.385 10 1 IKCF Oc1ccc(Cl)cc1[C@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Cl)cc2)N1 2934313 GRZGEYHQQBTIAR-XXBNENTESA-N 441.314 5.402 10 1 IKCF O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@H]1c1ccc(F)cc1O 71341086 QGYYUJZCAWNHRQ-FQEVSTJZSA-N 444.491 5.041 10 1 IKCF COc1cc(O)c([C@@]2(Cc3ccccc3)c3c(F)cccc3C[C@H]3CCCN32)c(OC)c1 963113366 QXMUWZIJUGLKTM-NFQMXDRXSA-N 433.523 5.055 10 1 IKCF Oc1ccccc1Cc1c(Cc2ccccc2O)n(Cc2ccccc2O)c2ccccc12 14826898 MOZLUMLVLFQWEH-UHFFFAOYSA-N 435.523 5.988 10 1 IKCF biogenic Cc1ccc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1ccc(-n2cncn2)cc1 28822675 IEDSVCCGGCMQSR-UHFFFAOYSA-N 440.934 6.266 10 1 IKCF CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2cccc([N+](=O)[O-])c2)cc1 53201351 CEFVHWJAWWUFQI-UHFFFAOYSA-N 431.580 6.467 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)[C@@H]1CC=C[C@H]21 587272969 YDIOZQVSOOWWBO-CRTZDJKQSA-N 448.832 6.278 10 1 IKCF COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587805419 DVSLWPLYXLOXDR-FATZIPQQSA-N 442.328 5.129 10 1 IKCF Cc1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c(C)n1-c1cccc(C(F)(F)F)c1 962660141 GDJVUKLRZSGBJB-HHHXNRCGSA-N 446.516 7.015 10 1 IKCF CN(C)c1ccc(/C=C\[C@]2(c3ccccc3)NCCc3cccc(-c4ccccc4)c32)cc1 962667319 NOJMQVJBXRLXCB-CBLZVJJYSA-N 430.595 6.522 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Br)c2O)N1 587679068 QADJUCZWGIXYBG-MLXNANBUSA-N 449.545 5.333 10 1 IKCF CCCc1c(OCCCCCCCCCCc2cccc(O)c2O)ccc(C(=O)O)c1O 27084340 KBPZHHDBBBMAFS-UHFFFAOYSA-N 444.568 6.196 10 1 IKCF CCN(CC)C(=O)c1cccc2c(NCCc3c[nH]c4ccccc34)c3ccccc3nc12 28569991 CKXQODKLUHWLGG-UHFFFAOYSA-N 436.559 6.006 10 1 IKCF Nc1ccc(Oc2ccc3nc(COc4ccccc4C4SCCS4)[nH]c3c2)cc1 587042638 UXVITSWDNIAZRA-UHFFFAOYSA-N 435.574 5.995 10 1 IKCF COc1cc(/C=C\c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(O)c1O 587784594 AZZLQTPHZKKMJZ-PLNGDYQASA-N 447.329 5.341 10 1 IKCF COc1cc(/C=C/c2cccc(/C=C/c3ccc(N(C)C)c(OC)c3)c2)ccc1N(C)C 28949017 WSRSVPOCZJUQPX-DCIPZJNNSA-N 428.576 6.177 10 1 IKCF CCN(CC)Cc1ccc(Nc2c3ccccc3[n+](C)c3c2[nH]c2ccccc23)cc1O 64560428 SWFIPPPPFHYGSU-UHFFFAOYSA-O 425.556 5.590 10 1 IKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1Cl 587544582 FNMOKJYNWHAWDY-JYFHCDHNSA-N 445.902 6.156 10 1 IKCF O=C(c1ccccc1Oc1ccccc1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71294312 ZXFOPKJCYUZUSJ-XMMPIXPASA-N 435.483 5.571 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)cc1 587195172 GSJGWOMDIPWJNC-UHFFFAOYSA-N 427.405 6.869 10 1 IKCF Cc1cccc(CCCCCCCC=CCC=CCCCCc2cccc(O)c2O)c1O 2356504824 GWKYPJJPCAIBMO-UHFFFAOYSA-N 436.636 7.910 10 1 IKCF Oc1ccc(Br)cc1C/N=N/c1nc(-c2ccc(Cl)c(Cl)c2)cs1 169722290 XYCCIQGFTLZBQI-LSDHQDQOSA-N 443.153 6.869 10 1 IKCF Cc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc([N+](=O)[O-])cc2nc2c(C)cccc12 26841102 CJGWBJODHMIYNW-UHFFFAOYSA-N 436.493 5.028 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(C(C)C)ccc12 26842163 XJEOXUXDETYOBA-UHFFFAOYSA-N 435.549 5.635 10 1 IKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 587550980 ZVJDHRJXTHSBHT-JYFHCDHNSA-N 445.902 6.156 10 1 IKCF Oc1ccc2c(c1)CCN(c1ccccc1)[C@@H]2c1ccc(N2CCN3CCCC[C@@H]3C2)cc1 6716968 ZGHFWBDHZZKWSI-GGXMVOPNSA-N 439.603 5.219 10 1 IKCF in-vivo O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1n[nH]c2c1CCc1ccccc1-2 617960076 QHGKHNOXCPKIGR-UHFFFAOYSA-N 436.269 5.049 10 1 IKCF CCOC(=O)Cc1c(-c2cccs2)c2c(n1-c1ccccc1)C(=O)c1ccccc1C2=O 1857632391 HZPIALCEKLYOLA-UHFFFAOYSA-N 441.508 5.087 10 1 IKCF COc1ccc2nc3cc(Cl)ccc3c(NCCCNC(=O)NCc3ccccc3)c2c1 26579183 JNLQWYSCOZUAEC-UHFFFAOYSA-N 448.954 5.351 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4c(F)cccc4Cl)n3)c2C)c1 587924427 XVYRUPQHVHFCDO-UHFFFAOYSA-N 443.012 7.323 10 1 IKCF Oc1ccc2ccccc2c1C1=NN(c2ccccc2)[C@H](c2ccc(Br)cc2)C1 28527311 RQCCHCCWKWFKBM-QHCPKHFHSA-N 443.344 6.664 10 1 IKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1F 587570371 WKFGGJSCYCYMRC-ZEQKJWHPSA-N 447.437 5.781 10 1 IKCF COc1cccc(CNCCCNc2ccnc3cc(CCc4ccccc4)ccc23)c1O 72122707 NKWGVUVGLZPYRG-UHFFFAOYSA-N 441.575 5.326 10 1 IKCF CCCCn1c(O)c(/N=N\C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 12528677 LWUZPXVCSXPWJE-DQSJHHFOSA-N 443.429 5.826 10 1 IKCF CCN(CC)c1ccc(CN(C(=O)Cc2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1 95580799 DVDYCLRLKJHNDC-UHFFFAOYSA-N 430.636 6.073 10 1 IKCF COC(=O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)ccc1OC(=S)N(C)C 169334159 LZFZLTKTJHTFNG-UHFFFAOYSA-N 434.561 5.035 10 1 IKCF COC(=O)c1cc2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c2cc1OC 587194958 DLCYEDSEVCZENO-UHFFFAOYSA-N 429.480 5.507 10 1 IKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1Cl 587544576 FNMOKJYNWHAWDY-BVAGGSTKSA-N 445.902 6.156 10 1 IKCF Cc1cc(-c2csc(-c3c4ccccc4cc4ccccc34)n2)c(C)n1-c1ccccc1F 587922005 GJUNSQJLXQTGKK-UHFFFAOYSA-N 448.566 8.330 10 1 IKCF CCN1/C(=C/C=C2\C[C@H](C)[n+]3c2n(CC)c2cc4ccccc4cc23)Sc2ccccc21 13452992 VMQXKYBYXABWMH-IBGZPJMESA-N 438.620 6.924 10 1 IKCF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F 587731788 ZYTANVQXLXCEOK-AMXDTQDGSA-N 431.324 5.758 10 1 IKCF CC(C)=CCC/C(C)=C/Cc1cc([C@@H]2Oc3cc(O)c(C)c(O)c3C(=O)C2=O)ccc1O 653786493 BQHNWTLZOFCOPV-UFCYUWOPSA-N 436.504 5.233 10 1 IKCF COc1ccc(/N=N/c2sc(N)nc2-c2ccc(NC(=O)c3ccccc3)cc2)cc1 98083107 AHJHDNADAFMGIV-BYYHNAKLSA-N 429.505 6.069 10 1 IKCF CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@H]2c1cccc(Br)c1 103272223 MWAYLTQKEFTQTK-JOCHJYFZSA-N 449.413 7.571 10 1 IKCF COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1 103919064 VAJLNVULQULABQ-WTYVLRPYSA-N 439.559 6.390 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 587710403 GFCWCSAGRRXRKY-MLCYQJTMSA-N 431.271 5.297 10 1 IKCF COc1ccc(N(CCN2CCN(C/C=C/c3ccccc3)CC2)Cc2ccccc2)cc1 22925666 BBGVXIKGGVJPNA-MDWZMJQESA-N 441.619 5.033 10 1 IKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 587552474 RRGTZGNXAOZXIT-BVAGGSTKSA-N 445.902 6.156 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 587819154 GWMQFXSAYVSILM-SFDCACGMSA-N 444.344 5.059 10 1 IKCF CCCCN(CCCC)CCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12 45167289 XHSMXVBMXWMYSH-UHFFFAOYSA-N 442.047 7.144 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(C)c3[nH]1)[C@@H]1CC=C[C@H]21 587271293 AHRDKTOREIIYQU-MDOVXXIYSA-N 439.313 5.677 10 1 IKCF Cc1cc(-c2csc(COc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccccc1F 587921862 CYZBWJSHKBOLKE-UHFFFAOYSA-N 446.469 6.955 10 1 IKCF [N-]=[N+]=NCCC[C@@H]1CC[C@]2(CC1=O)NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962953671 JXSOKPIXUHWLCM-QVKFZJNVSA-N 436.478 5.012 10 1 IKCF CC(C)=CCC/C(C)=C/Cc1c(O)c(O)c(O)c(C(=O)CCc2ccc(O)cc2)c1O 15120663 NMIIWAISRYUHLN-FRKPEAEDSA-N 426.509 5.265 10 1 IKCF O=C(/N=N\c1c(O)[nH]c2ccc(Cl)cc12)c1cc(-c2cccs2)nc2ccccc12 18068758 RSSGUWDFLYKHQB-RQZHXJHFSA-N 432.892 6.728 10 1 IKCF CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 95581748 SWLJKGMUZJJJMA-UHFFFAOYSA-N 426.557 5.376 10 1 IKCF C[C@H]1C(=O)C(=O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C 168767496 KYMOMWTYLQPYDQ-RIEYLWBASA-N 440.712 7.636 10 1 IKCF O=C(O)c1ccc(COc2ccc(/C=C3\SC(=S)N(c4ccccc4)C3=O)cc2)cc1 473150179 LBNQZHATJOEXLN-STZFKDTASA-N 447.537 5.370 10 1 IKCF O=C(Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1)OCc1ccccc1 27524907 HCVKDCBPKQREJL-UHFFFAOYSA-N 449.510 6.373 10 1 IKCF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(Br)cc1 84615306 PIYJYTHPXAZYAY-UHFFFAOYSA-N 428.326 5.411 10 1 IKCF Oc1c([C@H](Nc2ccc(Cl)cn2)c2ccc(Cl)c(Cl)c2)ccc2cccnc12 202354336 VFGQAVMHLLILFS-LJQANCHMSA-N 430.722 6.497 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Br)c2O)N1 587680609 UCECUQIVCBYWOL-MLXNANBUSA-N 449.545 5.333 10 1 IKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3ccc(Sc4ccccc4)cc3[nH]1)N2 587080616 NWWDOEUGBWRKHD-GLDPYIMESA-N 429.976 7.194 10 1 IKCF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc2N1 587122268 BFPVIBUQGNRXLW-ZMZPIMSZSA-N 428.418 5.108 10 1 IKCF CC(=C1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O)c1ccc(O)cc1 653767938 XXESDHMGCGDXMW-UHFFFAOYSA-N 439.298 5.468 10 1 IKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(COc5ccccc5Cl)o4)nc3c2)cc1 587064282 HZYXQYBAKIPIFQ-UHFFFAOYSA-N 431.879 6.430 10 1 IKCF COc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc(Cl)cc3nc12 26935324 ZTSZLWHQJNYXSU-UHFFFAOYSA-N 427.913 5.165 10 1 IKCF Cc1ncccc1C(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 113626020 UUOXOSKCMUHWLD-UHFFFAOYSA-N 442.968 5.373 10 1 IKCF Cc1ccc(F)c(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)c1 201508810 JOUFJAXOUBIHDV-CYYJNZCTSA-N 436.468 5.594 10 1 IKCF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587068586 CUNFFSWVVCELAD-CYBMUJFWSA-N 428.875 5.368 10 1 IKCF CN(C)CCOc1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1 587194997 DVFSLVJINJCQPP-UHFFFAOYSA-N 428.540 5.652 10 1 IKCF CCN(CC)c1ccc(CN(C(=O)C(F)(F)F)c2c(-c3ccccc3)noc2C)cc1 1857577580 PLMSLKCYVITFQR-UHFFFAOYSA-N 431.458 5.592 10 1 IKCF COc1ccc(-c2ccc(O)c([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 587804324 AVGVZTNHXGGMPN-ZAMGYDSWSA-N 442.328 5.593 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3ccccc3Oc3ccccc3)[nH]c21 587949212 BRSWQGYMNBQMSX-UHFFFAOYSA-N 430.463 5.721 10 1 IKCF C[C@]1(c2cc(Br)c(F)cc2O)c2ccsc2CCN1Cc1cccnc1 962999517 SBUFTTWNTQVZHY-HXUWFJFHSA-N 433.346 5.072 10 1 IKCF O=C(COc1ccccc1)N[C@@H](c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O 40933874 INSYBMPTFWPKLG-QFIPXVFZSA-N 436.870 5.018 10 1 IKCF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@H]1c1c(Cl)cccc1Cl 103191223 RUABXKFVAWUZBN-QFIPXVFZSA-N 428.319 5.640 10 1 IKCF Oc1c([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cccc1C(F)(F)F 962949222 DPALFOFFPGJTCH-QGZVFWFLSA-N 431.376 5.171 10 1 IKCF CC(C)(C)NCc1cc(Nc2ccnc3cc(Cl)ccc23)cc(C2CCCCC2)c1O 26654868 ZRLZARKCRDMQSG-UHFFFAOYSA-N 438.015 7.273 10 1 IKCF O=C(O)CCCCCCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26847311 OWWUVNCFQFKDSJ-UHFFFAOYSA-N 440.587 7.880 10 1 IKCF CCc1cc(/N=N/c2cccc3c2C(c2ccccc2Cl)=N[C@@H](C)C(=O)N3)ccc1O 29125524 RZSQJBODSKIQGW-XPBCYZTKSA-N 432.911 6.201 10 1 IKCF CN1C[C@H](c2ccccc2)c2cc(O)c(CN3CCCCC3)cc2C[C@@H]1Cc1ccccc1 45323659 PHNIMNKOWAJGED-LMSSTIIKSA-N 440.631 5.609 10 1 IKCF CN(C)[C@H](Cn1c(CCC(=O)O)ccc1-c1ccccc1)c1cccc(Br)c1 587939805 LRYJNILVMVQSQS-JOCHJYFZSA-N 441.369 5.238 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccccc3Br)c1C)O2 587376002 GLQJAXKHHTYKHM-NRFANRHFSA-N 425.326 5.454 10 1 IKCF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccccc2F)c(Br)c1 587638006 SHRAXPDLZAEXNV-UHFFFAOYSA-N 440.268 6.110 10 1 IKCF CCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1 26844512 YZSMYHLATMVSIP-UHFFFAOYSA-N 436.493 5.192 10 1 IKCF CN(C)c1ccc(/C=C/c2cc(-c3ccccc3)c(/C=C/c3ccc(N(C)C)cc3)nn2)cc1 95575119 DEKMKOUGMVNHFY-PTZHXCRQSA-N 446.598 6.616 10 1 IKCF CCCCCc1c(C(=O)NCc2ccc(N3CCCCC3)cc2)[nH]c2ccc(Cl)cc12 96933914 ZXNNKSUGABOOCP-UHFFFAOYSA-N 438.015 6.474 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(OC(C)C)cc4)n3)c2C)c1 587924418 XRAXOIOFYGMYOL-UHFFFAOYSA-N 434.630 7.394 10 1 IKCF Oc1cc(O)c2c(c1)OC=C(c1ccccc1)[C@@]21NCCc2c(Cl)cc(Cl)cc21 963120576 KNWRRTSGCJGIFB-HSZRJFAPSA-N 426.299 5.227 10 1 IKCF Cc1cc(-c2c(F)cc3c(=O)c(Cc4cccc(O)c4O)cn(C4CC4)c3c2F)cc(C)n1 25974811 BOEGJNXAOUQVNO-UHFFFAOYSA-N 448.469 5.295 10 1 IKCF Cc1ccccc1[C@@H](NC(=O)COc1ccccc1)c1cc(Cl)c2cccnc2c1O 40412062 AICCFEAVYLIUQM-HSZRJFAPSA-N 432.907 5.187 10 1 IKCF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1F 587731791 ZYTANVQXLXCEOK-YTEVENLXSA-N 431.324 5.758 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(OC(C)C)nc4)n3)c2C)c1 587924071 CDFJDPJAQOUHHI-UHFFFAOYSA-N 435.618 6.789 10 1 IKCF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccc(C)cc2)c(Br)c1 587637291 ZYSHXWVCTURSRW-UHFFFAOYSA-N 436.305 6.280 10 1 IKCF CN1c2ccccc2C(=O)N2CCc3c(n(Cc4cccc(Cl)c4)c4ccccc34)[C@H]21 64436637 NFPAPABGGVKRNR-VWLOTQADSA-N 427.935 5.490 10 1 IKCF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](O)c1ccc(N(C)C)cc1)CC2=O 587469935 QLIHQTCUYSCRCJ-SXOMAYOGSA-N 431.532 5.005 10 1 IKCF Cc1cc(-c2csc(-c3ccc(Br)cc3)n2)c(C)n1-c1ccccc1F 587922319 OHLFRTPPWFDONK-UHFFFAOYSA-N 427.342 6.786 10 1 IKCF Cc1cc(C=O)c(C)n1-c1cccc([C@@]2(C)c3cccc(Br)c3CCN2C)c1 963289051 IKODQTOIORSQKM-DEOSSOPVSA-N 437.381 5.421 10 1 IKCF CCOP(=O)(OCC)c1c(-c2ccccc2Cl)oc2c1C(=O)c1ccccc1C2=O 1857609455 QRYUJZQUUNKZSS-UHFFFAOYSA-N 444.807 5.267 10 1 IKCF Oc1cc2c(c(Cl)c1O)CCN(Cc1ccc(C(F)(F)F)cc1)C[C@H]2c1ccccc1 27107018 YITDINSHMOIMHM-FQEVSTJZSA-N 447.884 5.960 10 1 IKCF CC(C)c1ccc(CNc2ccc3c(c2)ncn3-c2ccc(Cc3ccccc3)cc2)cc1 95580891 UTSJAOPAQQVOTN-UHFFFAOYSA-N 431.583 7.352 10 1 IKCF Cc1cc2c(C)c(O)c(O)cc2c2c1[C@@]1(C)CC[C@@]3(C)CC[C@@](C)(C(=O)O)C[C@H]3[C@]1(C)C=C2 200698914 RBDGQMZJUTZCHP-VLEWNFEKSA-N 448.603 6.850 10 1 IKCF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1F 587724843 MAOJQNPFJAIEPP-KPWVOAKYSA-N 449.314 5.898 10 1 IKCF Cc1nn(CCc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c(C)c1Cl 587922618 RJINDDKAKUDYSY-UHFFFAOYSA-N 428.964 6.066 10 1 IKCF Oc1c(Cl)ccc(Cl)c1[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962946877 BJCBOYTYTVMIDS-QGZVFWFLSA-N 432.269 5.459 10 1 IKCF Cc1c(CNC2CCCCC2)cc(-c2ccc(Cl)cc2)n1-c1ccccc1C(F)(F)F 1857568830 OTVDZGYSYDWWLI-UHFFFAOYSA-N 446.944 7.547 10 1 IKCF c1ccc(/N=N\c2ccc(CN3CCN([C@H]4CC[C@@H](c5ccccc5)CC4)CC3)cc2)cc1 1857614598 QLIGVLXYBKGYKY-IKLWZFDPSA-N 438.619 6.946 10 1 IKCF Cc1c(C(=O)O)cccc1-c1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)o1 45300702 IECIABVJRNUUSC-STZFKDTASA-N 449.553 5.397 10 1 IKCF COc1ccc(CCN(C)CCC=C2c3ccccc3CCc3ccccc32)cc1OC 148271200 HCYSFZUKILFTTM-UHFFFAOYSA-N 427.588 5.799 10 1 IKCF COc1ccc(CCn2c(Cl)c(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)cc1 169310829 RPONKYFUUDFLSF-CJLVFECKSA-N 428.919 6.039 10 1 IKCF CCN(CC)c1ccc(N=Nc2ccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587385148 BTRYRHZFIRLPTJ-MHZLTWQESA-N 442.563 6.719 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(OCc3ccccc3)cc2O)N1 587804954 FYHPVPPQXMZTDJ-PSLXWICFSA-N 442.328 5.496 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 587824254 VUOZRZMVLFPJCD-SFDCACGMSA-N 444.344 5.059 10 1 IKCF CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3c([N+](=O)[O-])cccc23)c1 27524586 HNYUJTUHBRDORU-UHFFFAOYSA-N 432.436 5.101 10 1 IKCF CCCN(CCC)[C@H](C)CC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 45190046 IAYWVCABORJZDB-RTBURBONSA-N 442.047 7.141 10 1 IKCF Cc1cc(Br)cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587678164 JRQKRQYVCKLITQ-MGNBDDOMSA-N 443.154 5.162 10 1 IKCF COc1cc(O)c([C@]2(Cc3ccccc3)c3c(F)cccc3C[C@@H]3CCCN32)c(OC)c1 963113357 QXMUWZIJUGLKTM-DCFHFQCYSA-N 433.523 5.055 10 1 IKCF CCOC(=O)c1c(-c2ccc(C(F)(F)F)cc2)oc2ccc(O)c(CN3CCCCC3)c12 1772645819 OQRUYRWLUWNFPS-UHFFFAOYSA-N 447.453 5.987 10 1 IKCF O=C(c1ccc(Oc2ccccc2)s1)c1cc(Cc2ccc(F)cc2)c(O)c(O)c1O 84605274 RGRFYTIVTOOKOR-UHFFFAOYSA-N 436.460 5.618 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccnc3NCc3ccccc3)[nH]c21 587229333 FYRVSVIRSMKTTR-UHFFFAOYSA-N 430.467 5.012 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 587276591 MWGNZDYKOOZSTD-JCGVRSQUSA-N 443.276 5.508 10 1 IKCF COc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587752633 SMVCDKZGQGEXOL-NPMABZOXSA-N 443.360 5.628 10 1 IKCF Cc1ccc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cn1 34208085 USXIOINEWWTDIS-UHFFFAOYSA-N 442.968 5.373 10 1 IKCF CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2Cc2ccccc2-c2ccccc2)cc1 73197891 DSYITRPJKFHTFC-UHFFFAOYSA-N 447.627 7.141 10 1 IKCF CCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1Cc1ccccc1 84671556 IXYJSDLBDMBTRK-DFFKVLCPSA-N 441.531 5.989 10 1 IKCF O=c1oc2ccccc2cc1-c1csc(/N=N/Cc2ccc(Br)cc2)n1 169693510 JDFRTOIDLABRHQ-XTQSDGFTSA-N 426.295 5.963 10 1 IKCF Oc1c([C@@H](Nc2ccc(Cl)cn2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12 203770789 QUZWUSZETMJLKQ-IBGZPJMESA-N 429.829 6.209 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Cl)cc2O)N1 587692624 BMRCWCORUGHGBT-XMHCIUCPSA-N 446.747 5.773 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4nc5ccccc5[nH]4)n3)c2C)c1 587924235 NPIPOMXPCXTUCH-UHFFFAOYSA-N 430.602 6.407 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c21 587075721 JKNSPWAZVZSJJY-OAQYLSRUSA-N 441.918 5.329 10 1 IKCF CCN1CCN(c2cc(Nc3ccc(C)cc3)c3c4c(onc24)-c2ccccc2C3=O)CC1 1772621855 BPPCULMFOAJIPC-UHFFFAOYSA-N 438.531 5.233 10 1 IKCF C[C@]12C[C@H](c3ccc(OCCN=[N+]=[N-])cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 73200524 DKTBMEZPYNZNPX-NPSPJNBXSA-N 433.552 5.692 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 587276880 ONEOIELMNAQQOQ-IUUKEHGRSA-N 443.276 5.508 10 1 IKCF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](O)c1ccc(N(C)C)cc1)CC2=O 587469934 QLIHQTCUYSCRCJ-SVBPBHIXSA-N 431.532 5.005 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4ncc(Cl)n4C)n3)c2C)c1 587924439 YNAVJJOUCBFYDH-UHFFFAOYSA-N 429.014 5.917 10 1 IKCF CSc1ccc(-c2ccc(C)n2-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)cc1 587944678 GTHXBWIZIUUJQZ-UHFFFAOYSA-N 429.560 7.595 10 1 IKCF Oc1c(Br)cccc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1 45339578 PGLLJXXZDBFPCN-UHFFFAOYSA-N 445.357 5.693 10 1 IKCF O=C(N[C@@H](c1ccc(Cl)cc1)c1c(O)ccc2oc3ccccc3c12)c1ccccc1 72175067 QNSCOCIBIDZNER-VWLOTQADSA-N 427.887 6.464 10 1 IKCF CC(C)(C)OC(=O)NCc1nc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cs1 587014227 MYZQQHUECGBXKS-UHFFFAOYSA-N 437.525 5.086 10 1 IKCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(N=Nc2ccccc2)ccc1O 587572091 NCMQVCLHJIEHOQ-OZXSUGGESA-N 438.439 6.216 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 587737163 WTFLWBKBLYXMJF-YTEVENLXSA-N 430.292 5.724 10 1 IKCF Cc1cc(N[C@H](c2cc(Cl)ccc2Cl)c2ccc3cccnc3c2O)ncc1F 202328112 CFWLIDOHUBPDBN-NRFANRHFSA-N 428.294 6.291 10 1 IKCF CCCCCCc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587823148 SQXVNERILDFHKY-WNSKOXEYSA-N 434.393 6.214 10 1 IKCF [N-]=[N+]=NCCCOc1ccc(CNc2nc3ccc(Oc4ccccc4)cc3s2)cc1 43012787 AGOMXYARYODWGU-UHFFFAOYSA-N 431.521 6.780 10 1 IKCF CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2Cc2ccc(-c3ccccc3)cc2)cc1 73197890 ONJVOMSTNJIAOG-UHFFFAOYSA-N 447.627 7.141 10 1 IKCF CC(C)=CCc1c(O)c(O)c2oc3c(c(O)cc4occc43)c(=O)c2c1CCC(C)(C)O 238764413 MXKICINRYXUHQE-UHFFFAOYSA-N 438.476 5.021 10 1 IKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccccn2)c1O 28091492 YDBJRFRWHOFDPE-UHFFFAOYSA-N 432.955 6.241 10 1 IKCF O=C1NC(=S)S/C1=C\c1ccc(Sc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 96174917 VFRAWEHXENBXET-ZSOIEALJSA-N 442.465 5.254 10 1 IKCF Cc1cc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587678548 OCCVRVTXQUIMCF-MGNBDDOMSA-N 443.154 5.162 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)ccc2O)N1 587727639 BYFPHLUGJPCPHJ-XMHCIUCPSA-N 430.292 5.259 10 1 IKCF CN(C)c1ccc(/C=C/c2ccc(-c3nc4ccc(OCCCF)cc4s3)cc2)cc1 29129050 JJKIBQVSZODQDV-SNAWJCMRSA-N 432.564 6.938 10 1 IKCF CCCc1ccc(-n2c(-c3ccc(SC)cc3)cc(CN3CCSCC3)c2C)cc1 64448459 DCQXESIGHUJMLH-UHFFFAOYSA-N 436.690 6.676 10 1 IKCF CC[C@@H](C)Oc1ccc(/N=N/C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br 73162899 ANUDFYACVKLLCX-RCJUYNGUSA-N 446.257 6.205 10 1 IKCF N[C@@H]1N=C(c2ccccc2)C=C(c2ccc(Nc3c4ccccc4nc4ccccc34)cc2)O1 84730586 RJUHNRMDMGCSAN-GDLZYMKVSA-N 442.522 6.234 10 1 IKCF N#Cc1ccc(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)cc1 223752840 XHKCCWDBXDADEB-CYYJNZCTSA-N 429.461 5.018 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(O)c3[nH]1)[C@H]1CC=C[C@H]21 587271972 MGWGHAZAZWIPHF-PRXAMGSTSA-N 441.285 5.074 10 1 IKCF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cc2c3c(c(=O)oc2c(C)c1O)CCCC3 963228628 MCZKIWGIFVRINK-UULLZXFKSA-N 431.576 5.606 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(C)c3[nH]1)[C@H]1CC=C[C@H]21 587271440 CEIMCUHOPZSCFR-YRVVQQKDSA-N 439.313 5.677 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)[C@H]1CC=C[C@@H]21 587271531 FBOWWYWDBKTXCX-VBHSOAQHSA-N 430.386 5.505 10 1 IKCF COc1ccc([C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587806773 JINJLVDRQZLXDA-FATZIPQQSA-N 442.328 5.129 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 587822513 OMAXOQKJQWNYKP-ZLOXQWCVSA-N 440.312 5.397 10 1 IKCF CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3c(N)cccc3Br)c2C1 587934149 BNXJDJQRAXTEDF-UHFFFAOYSA-N 427.317 5.783 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(O)c(Br)ccc4[nH]3)cc2)cc1 587196868 ZOAPTZGVANHCJF-UHFFFAOYSA-N 436.313 6.179 10 1 IKCF COC(=O)c1ccccc1-n1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587514445 YGPQUKJONAQUKR-VWLOTQADSA-N 429.516 5.466 10 1 IKCF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 587698117 HVHUSSNOMBOCCG-IPQOISQHSA-N 447.779 6.273 10 1 IKCF COc1ccc(-c2ccc(CCC(=O)O)n2CC[C@H](c2ccc(F)cc2)c2ccco2)cc1 587946839 YUWBTNIMLSCXPJ-XMMPIXPASA-N 447.506 6.135 10 1 IKCF O=c1oc2cc(Br)ccc2c2oc3ccc(O)c(CN4CCCCC4)c3c12 1772627493 TUYCQYAAWBXAMV-UHFFFAOYSA-N 428.282 5.146 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccccc1O)CCC2(C)C 84687430 UZMHVHCTTVVWJH-LJQANCHMSA-N 444.483 5.238 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 587737155 WTFLWBKBLYXMJF-AMXDTQDGSA-N 430.292 5.724 10 1 IKCF CN1c2ccccc2C(=O)N2CCc3c(n(Cc4cccc(Cl)c4)c4ccccc34)[C@@H]21 64436636 NFPAPABGGVKRNR-RUZDIDTESA-N 427.935 5.490 10 1 IKCF CCN(CC)c1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccco4)CC(O)=C32)cc1 104035949 QLFRXGMVCPLNMJ-UZTOHYMASA-N 427.548 6.755 10 1 IKCF CCOc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1N1CCCC1 587764082 BZAHGCZQZAJHAY-FPTDNZKUSA-N 433.365 5.211 10 1 IKCF Oc1c(OC(F)(F)F)cc(Br)cc1[C@H]1c2ccc(F)cc2C[C@@H]2CCCN21 963092535 BAQFCDVLTVJQQB-SUMWQHHRSA-N 446.238 5.302 10 1 IKCF C[C@@H]1[C@@H](c2ccc(O)c(O)c2)O[C@@H](c2ccc(O)c([C@H](C)Cc3ccc(O)cc3)c2)[C@@H]1C 2356400870 MGYKBHUJUVNFML-WGOJQQPDSA-N 434.532 5.940 10 1 IKCF COc1ccc(C2(c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)CC3(CCC3)C2)cc1 587935598 OZONFRFIXSWHHM-UHFFFAOYSA-N 448.522 5.597 10 1 IKCF O=S(=O)(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccc2ccccc2c1 6055807 NHMHLYHTYJOLFP-QURGRASLSA-N 430.283 5.262 10 1 IKCF COc1cccc(CNCCCNc2ccnc3cc(-c4ccc(F)cc4)ccc23)c1O 72123301 ANJIYYDEQTYWCU-UHFFFAOYSA-N 431.511 5.347 10 1 IKCF Oc1ccc2oc(-c3cccc4ccccc34)cc2c1CN1CCC(N2CCCCC2)CC1 169349597 LYTQGSUMKHXBHJ-UHFFFAOYSA-N 440.587 6.409 10 1 IKCF COc1cc([C@@H](C)/N=N/c2nc3ccccc3nc2Cc2ccccc2)cc(OC)c1OC 169727589 CYYRMXGIAYDXCH-IHBQWEDCSA-N 442.519 6.091 10 1 IKCF COC(C)(C)CCC/C(C)=C/Cc1c(CCC(=O)c2ccc(O)cc2O)ccc(O)c1O 474607091 JHLPMSFZJFPKFH-REZTVBANSA-N 442.552 5.409 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)cc2)cc1 587195765 MFOOWDFRZUWOCN-UHFFFAOYSA-N 445.526 6.942 10 1 IKCF O=S(=O)(Nc1nc(-c2cccc(Br)c2)cs1)c1cccc(Cl)c1 103299488 DWJJVZYXWQSMLY-UHFFFAOYSA-N 429.748 5.027 10 1 IKCF O=C(NCc1ccc(N2[C@H]3CCC[C@@H]2CC3)cc1C(F)(F)F)Nc1cccc2[nH]ncc12 14973533 HGOIAAUCCRMOEG-IYBDPMFKSA-N 443.473 5.425 10 1 IKCF [N-]=[N+]=NCCCCCCc1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587260679 YYNVQLCHHVPXAW-UHFFFAOYSA-N 448.424 6.386 10 1 IKCF COc1ccccc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587575549 FPFGNZPXTYQUAJ-RPLLCQBOSA-N 441.483 5.511 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(Cl)cc2O)N1 587692614 BMRCWCORUGHGBT-DMZKTXOQSA-N 446.747 5.773 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cc3ccccc3)ccc2O)N1 587821681 JQHINUVIGXLADP-QKFKETGDSA-N 426.329 5.508 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(O)cc2O)N1 587822808 RIASOGQDSQGZSO-FATZIPQQSA-N 442.328 5.020 10 1 IKCF O=C(NCc1ccc(N2CCCCCC2)cc1C(F)(F)F)Nc1cccc2cnccc12 14973477 ZKQRPIWAYULZNE-UHFFFAOYSA-N 442.485 5.956 10 1 IKCF O=C(Nc1ccc(CCc2ccc(O)c(O)c2)cc1)c1ccc(-c2ccccc2)cc1O 28085895 CWLNTXXGBCECKV-UHFFFAOYSA-N 425.484 5.508 10 1 IKCF Cc1cccc(N[C@H](c2ccc(OC(F)(F)F)cc2)c2ccc3cccnc3c2O)n1 203771342 OGZDISPFPXWYMT-HXUWFJFHSA-N 425.410 5.744 10 1 IKCF Cc1cccc(OC[C@]2(c3ccc(O)cc3O)c3ccsc3CCN2Cc2ccco2)c1 962706604 MYHHSCYMXNIDDR-SANMLTNESA-N 447.556 5.442 10 1 IKCF Cc1ccc(N2C(=O)c3ccccc3S[C@H]2c2cc(Br)ccc2O)cc1 73275778 DTLXDHRKSABKSF-NRFANRHFSA-N 426.335 5.914 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(F)c(Br)ccc4[nH]3)cc2)cc1 587195054 FPHPXOFANBMQKA-UHFFFAOYSA-N 438.304 6.613 10 1 IKCF C[C@H](NC(=O)[C@@H](C)C(F)(F)F)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149935447 PMTAIGMKDDAQLC-SJORKVTESA-N 446.513 5.455 10 1 IKCF Cc1ccc([C@H](Nc2nc3c(Cl)cccc3s2)c2c(O)ccc3ccccc23)cc1 169351676 UXKXIAREVFUBHX-QHCPKHFHSA-N 430.960 7.318 10 1 IKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(I)cnc3[nH]1)N2 587078472 SABHECSVRKYXRK-OZVIIMIRSA-N 448.695 5.042 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c(C)c1 587750872 JZFZAKQUOQCFJM-OYLFLEFRSA-N 441.388 6.236 10 1 IKCF Cc1cc(-c2csc(-c3ccc(OC(F)(F)F)cc3)n2)c(C)n1-c1ccccc1F 587922774 UVOBUIIVAPPICB-UHFFFAOYSA-N 432.442 6.922 10 1 IKCF CCOc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1F 587924188 KTTVWLSMROCTIC-UHFFFAOYSA-N 438.593 7.144 10 1 IKCF Nc1ccc(Oc2ccc3nc(/C=C\c4ccc(SC(F)(F)F)cc4)[nH]c3c2)cc1 587124946 OBXSGAUIUMKJJZ-BASWHVEKSA-N 427.451 6.720 10 1 IKCF Cc1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2c1 587271801 IXLJJBOQNKQHQZ-CKFHNAJUSA-N 439.313 5.677 10 1 IKCF CSc1ccc(-c2ccc(C)n2Cc2nc3ccccc3n2Cc2cccc(F)c2)cc1 587946836 YSXUBQIPXZLPJO-UHFFFAOYSA-N 441.575 6.771 10 1 IKCF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CCc2c(C)c(C)c(O)c(O)c2O1 2356778278 QLPJBLZJTMXETL-MUUNZHRXSA-N 426.641 7.998 10 1 IKCF CC[C@@H](C)c1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(CN(CC)CC)c1O 28012679 NWRUMFNWJSLJLP-MRXNPFEDSA-N 427.976 5.931 10 1 IKCF Oc1ccc2ccccc2c1[C@@H](Nc1nc2c(Cl)cccc2s1)c1ccc(F)cc1 169351597 NELDWWXCXQQZLN-QFIPXVFZSA-N 434.923 7.149 10 1 IKCF CCCCN(CCCC)c1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587741586 ODWPYBGEMWAMSJ-MZNJEOGPSA-N 447.436 6.618 10 1 IKCF O=C(c1ccc2ccc(/C=C/c3ccc(O)c(O)c3)nc2c1O)c1cccc2ccccc12 28456192 IFOBAHAPNFYBLJ-XYOKQWHBSA-N 433.463 5.906 10 1 IKCF CC(C)c1ccc(CNc2ccc3c(c2)ncn3-c2ccc(Oc3ccccc3)cc2)cc1 95584447 CKXYATFOQOWDBV-UHFFFAOYSA-N 433.555 7.553 10 1 IKCF COc1ccc([C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587805422 DVSLWPLYXLOXDR-QKFKETGDSA-N 442.328 5.129 10 1 IKCF Cc1cc(-c2csc(Cc3nccn3Cc3ccccc3)n2)c(C)n1-c1ccccc1F 587922075 JKMVGYYNRQQDNE-UHFFFAOYSA-N 442.563 6.192 10 1 IKCF O=C1c2ccccc2C(=O)c2c1cc(Sc1nc3ccccc3s1)c1nsnc21 1772586195 QDWZKBUROXEQCU-UHFFFAOYSA-N 431.523 5.228 10 1 IKCF CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2/N=N\c2ccc(N(C)C)cc2)cc1 18085126 NBXBJBNGEGNGRQ-DQSJHHFOSA-N 444.491 5.166 10 1 IKCF COc1ccc(C(=O)O)cc1-n1c(C)ccc1-c1cc(Cl)ccc1OCc1ccccc1 28818974 IDECFVWSTAXUAF-UHFFFAOYSA-N 447.918 6.392 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(O)c3[nH]1)[C@H]1CC=C[C@@H]21 587271971 MGWGHAZAZWIPHF-PEBVRCNWSA-N 441.285 5.074 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccccc3Br)c1C)O2 587376005 GLQJAXKHHTYKHM-OAQYLSRUSA-N 425.326 5.454 10 1 IKCF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 587733275 LFJNCRHLDOLHAH-AMXDTQDGSA-N 431.324 5.758 10 1 IKCF Cc1cc(-c2csc([C@H](C)CNC(=O)c3ccccc3)n2)c(C)n1-c1ccccc1F 587922092 KCNSPKWWTTUCPA-MRXNPFEDSA-N 433.552 5.890 10 1 IKCF Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@@H](c3ccccc3Cl)C2)ccc1O 28653292 RFNKUGCLHYTASK-JOCHJYFZSA-N 435.980 6.211 10 1 IKCF CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccc(Cl)cc4)c4ccccc34)[C@H]21 64447473 WUKCDERRJXGLBX-DEOSSOPVSA-N 441.918 5.130 10 1 IKCF O=C1N=C(N(c2ccccc2)c2ccccc2)S/C1=C/c1ccc(N2CCOCC2)cc1 206110326 GMOBGDXDPSGTTA-LYBHJNIJSA-N 441.556 5.332 10 1 IKCF Cc1ccc(Cn2c(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)cc1 587515678 OBZIVDZNBQSMEQ-NDEPHWFRSA-N 435.567 6.892 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2O)N1 587694785 ADESQRUZPWMQCZ-XMHCIUCPSA-N 446.747 5.773 10 1 IKCF Cc1ccc(O)c([C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587820908 GBIGLFQNEVITOL-CMJOXMDJSA-N 426.329 5.428 10 1 IKCF Oc1c([C@H](Nc2ccccc2)c2c(F)cc(Br)cc2F)ccc2ccccc12 653804982 IZLZMEQLFUZWSE-QFIPXVFZSA-N 440.287 6.788 10 1 IKCF CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)NC3CCCCCC3)CCCC(C)(C)[C@@H]1CC2 1857552002 LWLGNDZEEFYSRB-KDYSTLNUSA-N 427.629 6.071 10 1 IKCF O=C(O)c1cccc2c1oc1ccc(-c3csc(-c4ccc(N5CCCC5)cc4)n3)cc12 64521222 NMYDRYXXJUMSIV-UHFFFAOYSA-N 440.524 6.675 10 1 IKCF O=C(c1cccc(Oc2ccccc2)c1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71295698 RATDJMAJNMTSHA-VWLOTQADSA-N 435.483 5.571 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)[C@@H]1CC=C[C@H]21 587272479 UIJMOMURQLRBAH-CRTZDJKQSA-N 432.377 5.764 10 1 IKCF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(F)c1 587732033 MSIFIWICBVGGPS-YTEVENLXSA-N 431.324 5.758 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4c(F)cccc4Cl)n3)c2C)c1 587924098 DZMUUBRGUPGAMW-UHFFFAOYSA-N 428.985 7.399 10 1 IKCF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(=O)c1cccc(C)c1)c1ccc(C)cc1O 963245087 ZDPJMCXUCOMTHF-ZTOMLWHTSA-N 427.588 6.182 10 1 IKCF CC(=O)N[C@H](c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(O)ccc2ccccc12 98084230 BDVFQYICLUROIP-MUUNZHRXSA-N 433.511 5.624 10 1 IKCF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc2n1CC(C)C 587579301 UKRBDHZECXWMIP-IGKIAQTJSA-N 427.500 6.014 10 1 IKCF CCOc1ccccc1[C@](N)(c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(F)(F)F 587093376 TWLYNGJWCJGMIB-QFIPXVFZSA-N 442.441 5.101 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)[C@@H]1CC=C[C@H]21 587271529 FBOWWYWDBKTXCX-JCGVRSQUSA-N 430.386 5.505 10 1 IKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 587550982 ZVJDHRJXTHSBHT-ZEQKJWHPSA-N 445.902 6.156 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(c2ccccc2O)N1 587830587 DRHMQEPJAOSVGF-GYCJOSAFSA-N 440.356 5.704 10 1 IKCF Cc1ccc(C)n1-c1ccc([C@]2(C)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)cc1 962663121 JIMIHTMGAOLOIQ-IZLXSDGUSA-N 439.559 5.004 10 1 IKCF COc1cc([C@]2(Cc3ccccc3)NCCc3c(Cl)cc(Cl)cc32)c(O)cc1O 963126295 WRDNYPDRWOUQJQ-HSZRJFAPSA-N 430.331 5.045 10 1 IKCF CCCCOc1ccc(Cl)c(OCCCC)c1/N=N/c1c(O)ccc2ccccc12 1857545833 YRTAQPMKDDPITG-CYYJNZCTSA-N 426.944 7.972 10 1 IKCF C[N+](C)(C)Cc1cc2ccccc2c(-c2c(O)c(C[N+](C)(C)C)cc3ccccc23)c1O 40602209 LZNXUEWROYCPCX-UHFFFAOYSA-P 430.592 5.484 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c21 587134485 LXRYFPZRNZUCNK-SOFGYWHQSA-N 440.327 5.204 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C[C@@H]3c4ccccc4N(C)[C@H]3C=C2)N1 587770139 PIYMEDQEEXSWND-QDMWDPJJSA-N 425.345 5.262 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(OC(C)(C)C)cc4)n3)c2C)c1 587924200 LDSOYJJGFUJMKB-UHFFFAOYSA-N 448.657 7.784 10 1 IKCF c1ccc(/N=N/c2ccc(N3CCN([C@H]4CC[C@@H](c5ccccc5)CC4)CC3)cn2)cc1 1857567517 BYPGRHCJNNWSTC-CRDUFFDDSA-N 425.580 6.345 10 1 IKCF O=C1c2cccc(Sc3ccncc3)c2C(=O)c2cccc(Sc3ccncc3)c21 26979051 URABVPWPMHXQBN-UHFFFAOYSA-N 426.522 5.554 10 1 IKCF Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@@H](c3ccc(N(C)C)cc3)C2)ccc1O 28653258 OQRARBGKUBHCHV-XMMPIXPASA-N 444.604 5.623 10 1 IKCF Cc1ccc(NC(=O)CSCCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 586969963 CPLPPRHKTXYTEI-UHFFFAOYSA-N 432.549 5.160 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 587747176 MUESIMWQHIHVKP-ZSEKCTLFSA-N 448.336 5.110 10 1 IKCF CCOC(=O)c1ccc(N[C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)cc1 653795630 HQVCSCHJOUPOBX-QFIPXVFZSA-N 432.907 5.972 10 1 IKCF COc1cc2c3c(c1)O[C@H](c1c(C)n(Cc4ccc(Cl)cc4)c4ccccc14)[C@@H](C2)C3=O 587421252 LBBFQLSSWQBATM-IDISGSTGSA-N 443.930 6.149 10 1 IKCF Oc1ccc2cc(Br)ccc2c1[C@H](c1cccc2ccccc12)N1CCCCC1 653708531 ZMBUFZKCMZXHNY-SANMLTNESA-N 446.388 7.036 10 1 IKCF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@H]3C=CC[C@H]3[C@@H](C(=O)O)N4)nc3cccc1c23 587106669 MURGXLPNHCBWMU-JYAKTIFJSA-N 444.490 5.652 10 1 IKCF CCOC(=O)c1cc(C)n(-c2ccc(Br)cc2OCc2ccccc2)c1C 587940563 LYCMOHVURKNIGC-UHFFFAOYSA-N 428.326 5.612 10 1 IKCF COc1ccc(N(Cc2nc3cc(C)c(C)cc3[nH]2)Cc2nc3cc(C)c(C)cc3[nH]2)cc1 206052543 UGIIYQMUZVZBQN-UHFFFAOYSA-N 439.563 5.888 10 3 IKCF CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4cccc(Cl)c4)c4ccccc34)[C@H]21 64437192 JVXOEWBQAIFXQP-DEOSSOPVSA-N 441.918 5.130 10 1 IKCF C[C@@H]1[C@@H](c2ccc(O)c(O)c2)O[C@@H](c2ccc(O)c([C@H](C)Cc3ccc(O)cc3)c2)[C@H]1C 238757718 MGYKBHUJUVNFML-QSJPMNQTSA-N 434.532 5.940 10 1 IKCF Cc1cc(-c2csc(-c3ccc(S(C)(=O)=O)cc3)n2)c(C)n1-c1ccccc1F 587922011 GPZGEUNFMDVOIR-UHFFFAOYSA-N 426.538 5.427 10 1 IKCF O=C(CSc1nc2ccccc2n1Cc1ccccc1)/N=N/c1c(O)[nH]c2ccccc12 103961519 TUKFPIYXPIDTMW-BYYHNAKLSA-N 441.516 5.674 10 1 IKCF Cc1nn(-c2ccccc2)c2nc3c(c(-c4ccc(Cl)cc4)c12)C(=O)C(=O)c1ccccc1-3 103266829 NKCMKZGLHGQKSX-UHFFFAOYSA-N 449.897 6.095 10 1 IKCF O=C(O)[C@@H]1CCc2c(c3cc(OCc4ccccc4)ccc3n2Cc2ccc(Cl)cc2)C1 1857755294 FVSPXEHINBTTHE-HXUWFJFHSA-N 445.946 6.112 10 1 IKCF O=C(Nc1cccc2cnccc12)N[C@H](c1ccccc1)c1ccc(N2CCCCC2)cc1 14973659 BXBVGLSLEQRLIT-HHHXNRCGSA-N 436.559 6.136 10 1 IKCF CCOc1ccc(/N=N/c2ccc(/N=N/c3cccc(S(=O)(=O)O)c3)cc2OC)cc1 31351663 XLZIQVXZQAHASF-YXCVZRPCSA-N 440.481 6.171 10 1 IKCF CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12 473085093 VKMRCKFWXNEANM-VGOFMYFVSA-N 438.476 5.223 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc5c(c4)OCCO5)n3)c2C)c1 587924041 AJYPMVPCNIVMGD-UHFFFAOYSA-N 434.586 6.378 10 1 IKCF Oc1cc(Cl)ccc1[C@@]1(c2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962693569 BTUXIWPCHJQADV-KBMIEXCESA-N 439.983 5.840 10 1 IKCF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2cccnc2)cc1 38839494 LFWVCWWMFMYSOG-UHFFFAOYSA-N 428.941 5.064 10 1 IKCF CCCCCOc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1Br 587785301 KVWANNJBUKPKOT-VOTSOKGWSA-N 447.329 5.485 10 1 IKCF Brc1cccc(Nc2ncnc3ccc(N/N=N/Cc4ccccn4)cc23)c1 13527508 ASHLBSIWNNFRBC-UHFFFAOYSA-N 434.301 5.510 10 1 IKCF CC(=O)O[C@H]1c2ccc(CN(C)C)n2-c2cccc(Cl)c2S[C@H]1c1ccccc1 13760867 JGXAGHYDVHPDLO-VXKWHMMOSA-N 426.969 5.644 10 1 IKCF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2c1 587271830 JLLHXRXMJQLXIE-CKFHNAJUSA-N 438.871 5.046 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(C)nc3[nH]1)[C@H]1CC=C[C@@H]21 587272908 XUSSPLJNTDJJLX-VBHSOAQHSA-N 440.301 5.072 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(C(=O)OCC)cc3)c1C)CC2=O 587471196 OSGXMAXPNFCNBO-VWLOTQADSA-N 447.531 5.635 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 587710404 GFCWCSAGRRXRKY-XTZNXHDOSA-N 431.271 5.297 10 1 IKCF CCc1ccccc1OC[C@@]1(c2ccc(O)cc2O)c2cc(OC)ccc2CCN1C(C)C 962086959 DXMJFZBJQZRSNP-MUUNZHRXSA-N 447.575 5.258 10 1 IKCF COc1ccc(-c2ccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c(F)c2)c(F)c1 587150734 DWKIKGLVNZCCOT-UHFFFAOYSA-N 443.453 6.558 10 1 IKCF CNC(=O)c1cccc2c(Nc3ccc(NC(=O)OC)cc3NC)c3cccc(C)c3nc12 29341044 DSZDSSLJOQKHPV-UHFFFAOYSA-N 443.507 5.020 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1C 587575822 GLIHRPAESDOHJZ-LSYYVWMOSA-N 439.511 6.119 10 1 IKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cc(Cl)cc(Cl)c1 587500085 LODACAZJKWQMOC-XMMPIXPASA-N 440.370 6.986 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 587737161 WTFLWBKBLYXMJF-VERVWZFWSA-N 430.292 5.724 10 1 IKCF Cc1nn(-c2ccccc2)c2nc3c(c(-c4ccc(F)cc4)c12)C(=O)C(=O)c1ccccc1-3 103266831 VJJKEOFMKDYQSK-UHFFFAOYSA-N 433.442 5.581 10 1 IKCF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)cc1F 587725156 NWNVZMXRFUDKST-SAHAZLINSA-N 449.314 5.898 10 1 IKCF O=C1NC(=S)S/C1=C\N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 653899369 IYAQBSFNAIOPDP-IUPCOXQMSA-N 434.373 5.134 10 1 IKCF COP(=O)(Nc1ccc(Nc2c3ccccc3nc3ccc(Cl)cc23)cc1)OC 26003777 MNSFRJPKRZXQNR-UHFFFAOYSA-N 427.828 6.598 10 1 IKCF Cc1cc2c(Br)ccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2o1 587002498 AGIWLMKSXYCUEE-UHFFFAOYSA-N 434.293 6.422 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)cc2)cc1 587195805 NNHJZMUTJCALIX-UHFFFAOYSA-N 443.860 7.384 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(F)c3[nH]1)[C@H]1CC=C[C@H]21 587277255 RLKDMPXQOVYRKJ-LXIYXOSZSA-N 443.276 5.508 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4cn5cccc(C)c5n4)n3)c2C)c1 587924332 SDHOUVFQHRVCGS-UHFFFAOYSA-N 444.629 6.486 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(C(C)(C)C)cc12 26840182 LPWNPFYGOMZSAQ-UHFFFAOYSA-N 449.576 5.809 10 1 IKCF CCCCCCOC(=O)[C@]12O[C@@]1(C/C=C(\C)C1CCCCC1)C(=O)c1ccccc1C2=O 85592758 XMCOTZLDFODUEY-HHVPKWNMSA-N 438.564 5.614 10 1 IKCF biogenic,in-vitro Nc1ccc(Oc2ccc3nc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)[nH]c3c2)cc1 587094838 JDAAYKRCOGDSDW-UHFFFAOYSA-N 437.343 6.642 10 1 IKCF CCCc1c(O)ccc2c1OC(c1ccc(N(C)C)cc1)(c1ccc(N(C)C)cc1)CC2=O 587467678 GFQJRDMJVOMICW-UHFFFAOYSA-N 444.575 5.386 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1C 587575820 GLIHRPAESDOHJZ-LEAFIULHSA-N 439.511 6.119 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(-c3ccccc3)ccc2O)N1 587823475 UNERLEKALRJUKT-PSLXWICFSA-N 426.329 5.759 10 1 IKCF Cc1c(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029353 MUKZZISDWGODPN-UHFFFAOYSA-N 429.505 5.087 10 1 IKCF COc1ccccc1Nc1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587240881 QUWNCMGOMGDNQS-UHFFFAOYSA-N 445.478 5.758 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(c2ccccc2O)N1 587832886 LBTQHSUQJTUMMM-FYSMJZIKSA-N 440.356 5.704 10 1 IKCF Cc1cc(CN2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c(C)n1-c1ccc(Cl)cc1 653846490 AMQWNDYHJZNKRI-UHFFFAOYSA-N 438.059 5.834 10 1 IKCF CN(CCCc1ccc(-c2ccc(Cl)cc2)cc1)c1ccc(CN2CCCCC2)cc1 473108556 NIRCOASKORGSKJ-UHFFFAOYSA-N 433.039 7.062 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cc3ccccc3)ccc2O)N1 587821680 JQHINUVIGXLADP-PSLXWICFSA-N 426.329 5.508 10 1 IKCF CCN1CCN(c2ccc([C@@H]3NCCc4cccc(-c5ccccc5)c43)c(Cl)c2)CC1 962664898 IHRRVDQFXOIBTM-MHZLTWQESA-N 432.011 5.384 10 1 IKCF Cc1c(CNC2CCC(O)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1857550734 RNTXTLKAKSIJRB-UHFFFAOYSA-N 429.391 6.153 10 1 IKCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(N2CCCCC2)c1 27203184 JWIIDDFBTROGJR-UHFFFAOYSA-N 446.576 5.493 10 1 IKCF Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccc(Cl)cc1Cl 49053457 YSHSPKAHIFQOJE-UHFFFAOYSA-N 439.280 5.019 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1ccccc1O)CCC2(C)C 84687715 QWRVFPVDZOIIBN-SFHVURJKSA-N 430.456 5.309 10 1 IKCF C[C@@H]1C(=O)C(=O)C[C@@H]2[C@H]1CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C 169720457 OOALVIYVCHJQAF-PWBADDPCSA-N 442.640 5.006 10 1 IKCF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587242023 NPDXUILVRNACMD-UHFFFAOYSA-N 432.480 5.657 10 1 IKCF CC(C)=CCC/C(C)=C/Cc1cc([C@H]2Oc3cc(O)c(C)c(O)c3C(=O)C2=O)ccc1O 653786492 BQHNWTLZOFCOPV-FICPYRFJSA-N 436.504 5.233 10 1 IKCF CCN1CCN(c2ccc(/C(=C(/CCCO)c3ccccc3)c3ccc(C)cc3)cc2)CC1 1857614948 YPWHCQNHYZKJHW-FLWNBWAVSA-N 440.631 5.869 10 1 IKCF CCN1/C(=C/C=C2\CCC[n+]3c2n(CC)c2cc4ccccc4cc23)Sc2ccccc21 13452996 WFOSPLUTJBJUCL-UHFFFAOYSA-N 438.620 6.753 10 1 IKCF CCOc1cc(N2CCCC2)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587768839 WQVXUXMABJOFIB-RCDICMHDSA-N 433.365 5.211 10 1 IKCF O=C(O)[C@@H]1CCCN(CCOCCc2cccc(N=Nc3cccc4ccccc34)c2)C1 1857632166 FNGCHACUJQEGMA-JOCHJYFZSA-N 431.536 5.611 10 1 IKCF CCC[C@@]12C[C@@H](O[C@@H](C)[C@@H]1O)c1ccc3c(c1N2)C(=O)c1ccc2cc(C)ccc2c1C3=O 2356704025 FRAARNLUWMVPMQ-SUOVXJDKSA-N 441.527 5.099 10 1 IKCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(N2CCCC2)c1 27203193 ZETUYWPIYXALNH-UHFFFAOYSA-N 432.549 5.103 10 1 IKCF Cc1ccc(C)c(Cn2c(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)c1 587517046 ZWHPKFDEVMYBMQ-GDLZYMKVSA-N 449.594 7.200 10 1 IKCF Cc1cc(-c2csc([C@@H](C)CN(C)C(=O)c3ccccc3)n2)c(C)n1-c1ccccc1F 587922615 RJAAKLOTHIHMJR-KRWDZBQOSA-N 447.579 6.232 10 1 IKCF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)[C@@H](C(=O)O)c2ccccc2)cc1 13732459 PFOYNRHXNOJZBY-RUZDIDTESA-N 442.563 5.311 10 1 IKCF Nc1ccc(Oc2ccc3nc(C[C@H](N)c4ccc(Br)cc4F)[nH]c3c2)cc1 587144489 MQYMBZCIZKUFHW-SFHVURJKSA-N 441.304 5.082 10 1 IKCF Cc1cccc(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)c1C 223756458 PMBJYPIBDCHYID-CYYJNZCTSA-N 432.505 5.763 10 1 IKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cccc(Br)c4)c1C)[C@@H](C2)C3=O 587416886 HJMVWQCVCBJLPJ-WMZHIEFXSA-N 438.321 5.354 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)ccc2O)N1 587804976 GDYMNKIIGNXXNN-LFVRLGFBSA-N 442.328 5.496 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C=C/c2ccccc2)(c2ccccc2O)N1 587834103 QRRUSJABPQWWFV-QHGZJZKPSA-N 438.340 5.785 10 1 IKCF CC(C)=CCCC(C)=CC[C@@]1(O)C(=O)c2cc(O)cc(O)c2C(=O)[C@@]1(Cl)CC=C(C)C 2356637018 DRVVWOVFACYRGZ-LOSJGSFVSA-N 446.971 5.625 10 1 IKCF Cc1ccc(OCC(=O)N[C@H](c2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 40934912 PBEBMILMXGWHTQ-HSZRJFAPSA-N 432.907 5.187 10 1 IKCF CC[C@@]1(c2ccc(Cl)c(Cl)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587691234 ACDCGFWNFMLRKK-YYSFKGJASA-N 433.148 5.788 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C/c2ccccc2)(c2ccccc2O)N1 587834386 RTBRHWVJMIFQAS-ZBQBDOQQSA-N 438.340 5.785 10 1 IKCF COC(=O)[C@H](C)c1ccc(-c2ccc(NCc3cc(CN(C)C)ccc3O)cc2)c(F)c1 1911585082 HHOFXEFSELLKIT-QGZVFWFLSA-N 436.527 5.149 10 1 IKCF Cc1ccc2c3c(cc(-c4ccc(O)c(CN5CCCCCC5)c4)nc13)-c1ccccc1C2=O 587098912 XCUYDJKTFGHOQO-UHFFFAOYSA-N 448.566 6.503 10 1 IKCF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(C)C 587751833 BAGVNWAURWDAHO-FATZIPQQSA-N 429.377 6.131 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(c2ccc(O)cc2O)N1 587821501 IMUUTHRYHGSXDZ-QKFKETGDSA-N 442.328 5.020 10 1 IKCF Cc1c(CN2CCN(C)CC2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)cc1 36471946 IJIBPPFCGDLFIP-UHFFFAOYSA-N 432.370 5.646 10 1 IKCF CN(C)c1ccc(/N=N/c2nc3ccc(OCCOCCOCCF)cc3s2)cc1 84670471 BYFWYPGZHMAEOF-OCOZRVBESA-N 432.521 5.159 10 1 IKCF CCN(CC)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccco4)CC(O)=C32)cc1 104035954 QLFRXGMVCPLNMJ-PPHZAIPVSA-N 427.548 6.755 10 1 IKCF Cc1cccnc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587580716 ZEPXMZUXAHCRND-DHLKQENFSA-N 426.472 5.206 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 587824275 ZIAPSLOUDVBGBV-ASSNKEHSSA-N 448.420 6.512 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(F)c(Br)cc4[nH]3)cc2)cc1 587196267 RRAPZLQAPQFGEO-UHFFFAOYSA-N 438.304 6.613 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C[C@H]3c4ccccc4N(C)[C@@H]3C=C2)N1 587765722 DWAKGPIBQWYFPA-CVZQEWGZSA-N 425.345 5.262 10 1 IKCF O=C(CSc1nc2ccccc2s1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 103961994 BNXQEXZGDFTYTH-QURGRASLSA-N 447.339 5.648 10 1 IKCF Nc1ccc(Oc2ccc3nc(Cc4ccc(C(F)(F)F)cc4[N+](=O)[O-])[nH]c3c2)cc1 587110058 RCMMMRAAYXARKS-UHFFFAOYSA-N 428.370 5.455 10 1 IKCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(N=Nc2ccccc2)ccc1O 587572092 NCMQVCLHJIEHOQ-ZEQKJWHPSA-N 438.439 6.216 10 1 IKCF Cc1cc(-c2csc(Cc3cccc(C(F)(F)F)c3)n2)c(C)n1-c1ccccc1F 587922274 NCVQOQAMZOTRGQ-UHFFFAOYSA-N 430.470 6.966 10 1 IKCF COc1ccc(-c2csc(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccccc3O)n2)cc1 1857572652 CINHWIQNTCXLHW-HSZRJFAPSA-N 445.519 6.019 10 1 IKCF O=c1c(Cc2ccc(-c3ccc(O)c(O)c3)cc2)c(-c2ccc(O)cc2)oc2ccccc12 40431189 YMGDLFHMXJVBJO-UHFFFAOYSA-N 436.463 5.835 10 1 IKCF Cc1ccc(-n2ccnc2SCc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C)c1 586966082 DGJXNZPIFRINOU-UHFFFAOYSA-N 441.560 6.032 10 1 IKCF COc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 587578770 RSSOORHZOFOJCB-SQHAQQRYSA-N 441.483 5.511 10 1 IKCF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OCc4ccccc4)cc3)C2)cc1 1772605308 RZICSQOQDIUEHQ-CCLHPLFOSA-N 430.548 5.120 10 1 IKCF O=C(Nc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1)c1ccc(Cl)cc1Cl 28765812 NWEOANYJGNMIFS-UHFFFAOYSA-N 448.394 5.143 10 1 IKCF COc1ccc(-c2ccc(O)c([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 587804322 AVGVZTNHXGGMPN-JCQPUDPBSA-N 442.328 5.593 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4cccc(Cl)c4)n3)c2C)c1 587924097 DYMKAPWHBLATOO-UHFFFAOYSA-N 425.022 7.184 10 1 IKCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(F)c(Br)cc2F)cc1 587943969 TUUKZYXGMMQYQR-UHFFFAOYSA-N 436.252 5.211 10 1 IKCF CN1C(=O)/C(=C/N2N=C(c3ccc4ccccc4c3)C[C@H]2c2ccccc2O)SC1=S 653899415 YZXLFSTYFXHALB-ALFKQNEGSA-N 445.569 5.028 10 1 IKCF Cc1c(N)cc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccccc2)cc1C(=O)O 28707690 DVZAUXRJUZQTOP-UHFFFAOYSA-N 446.934 6.274 10 1 IKCF CCOc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587763834 AGWMMTKJCNUDOB-FPTDNZKUSA-N 433.365 5.211 10 1 IKCF COc1cc(O)c([C@]2(Cc3ccccc3)c3c(F)cccc3C[C@H]3CCCN32)c(OC)c1 963113362 QXMUWZIJUGLKTM-HRFSGMKKSA-N 433.523 5.055 10 1 IKCF COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(/N=N/c4ccc(F)cc4)c3F)cc12 1857534919 HUJIOXAQADLZLB-CYYJNZCTSA-N 426.358 5.052 10 1 IKCF CCCCn1c(O)c(/N=N/C(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 101742489 LWUZPXVCSXPWJE-BYYHNAKLSA-N 443.429 5.826 10 1 IKCF CC[C@H](C)c1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(CN(CC)CC)c1O 28012683 NWRUMFNWJSLJLP-INIZCTEOSA-N 427.976 5.931 10 1 IKCF CCCN(CCC)CCCNc1c2ccc(OC)cc2nc2ccc(C(F)(F)F)cc12 34892349 BXANIHGEDROJPY-UHFFFAOYSA-N 433.518 6.339 10 1 IKCF O=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1ccccc1Br 169730533 QMWJYWCIUTXOCL-CYYJNZCTSA-N 429.277 6.508 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cc(Br)c2O)N1 587680608 UCECUQIVCBYWOL-KWKYVRJSSA-N 449.545 5.333 10 1 IKCF CC[C@@]1(c2c(O)cccc2F)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961772185 ASLNYBUSSNQUFO-VWLOTQADSA-N 426.532 5.336 10 1 IKCF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(OC[C@H]4CC4(F)F)cc3F)C2)cc1 96172888 BPFHKBHWYFENCW-CRAIPNDOSA-N 433.470 5.210 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 587748231 SUZYBJFZVUDJSG-ZSEKCTLFSA-N 448.336 5.110 10 1 IKCF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)Oc3c(O)c(O)c4nc(C(=O)O)ccc4c3C[C@@H]12 2356813503 CHLKINYAFCYULV-PXHMUHRZSA-N 425.525 5.280 10 1 IKCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(C(F)(F)F)ccc23)cc1 26841861 PTEUZIGZYOMOBV-UHFFFAOYSA-N 431.439 5.522 10 1 IKCF COc1cc2c(/C=C3/C(=O)Nc4ccc(O)cc43)c(Cl)n(Cc3ccccc3)c2cc1C 33917579 LPUJTOYQSOYHKI-CIAFOILYSA-N 444.918 5.858 10 1 IKCF COc1ccc(Nc2c(-c3ccc(F)cc3)c(C)nn2-c2ccccc2C)c(C(=O)O)c1 64527397 RXDUDOIUDWHIEC-UHFFFAOYSA-N 431.467 5.746 10 1 IKCF CC[C@@]12CCC[C@@]13CC(c1cc(O)c(O)c4c(O)cccc14)=Cc1cc(O)c(O)c(c13)CC2 85569197 WCBHOXUQEIWNHJ-NSOVKSMOSA-N 444.527 6.076 10 1 IKCF biogenic,in-vitro COc1ccc(C2(c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)CC3(CCC3)C2)cc1 587934900 HXRQVVXTGOYNGI-UHFFFAOYSA-N 425.532 6.196 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c21 587951396 ZJTDOSXLHSQRRC-VKAVYKQESA-N 442.474 6.301 10 1 IKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Cl)c1 587550981 ZVJDHRJXTHSBHT-OZXSUGGESA-N 445.902 6.156 10 1 IKCF Cc1cccc(OC[C@@]2(c3ccc(O)cc3O)c3ccsc3CCN2Cc2ccco2)c1 962706589 MYHHSCYMXNIDDR-AREMUKBSSA-N 447.556 5.442 10 1 IKCF CCOc1cc(/C=C2\N=C(c3ccccc3)N(c3nc4ccccc4s3)C2=O)ccc1O 1659170 ZBEWYWIUEYJRIR-RGEXLXHISA-N 441.512 5.235 10 1 IKCF CCCc1nc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)nn1-c1ccccc1F 587157231 YFNQHYGYAOMWCS-UHFFFAOYSA-N 428.471 5.277 10 1 IKCF COc1ccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 587578768 RSSOORHZOFOJCB-SHQCIBLASA-N 441.483 5.511 10 1 IKCF Cc1ccnc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587749792 GCJBWQGXULNUQQ-WHEQGISXSA-N 428.349 5.323 10 1 IKCF CC(C)=CCCC(C)=CCc1c(O)cc(O)cc1C=Cc1ccc(O)c(O)c1CC=C(C)C 2356545017 LZRXMBPDNILKDO-UHFFFAOYSA-N 448.603 7.423 10 1 IKCF Cc1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccc([N+](=O)[O-])c(C)c3nc12 26934957 GVRVGQHSBIKYDQ-UHFFFAOYSA-N 436.493 5.028 10 1 IKCF O=C1C(=Cc2ccc(Cl)cc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 209094007 UADTYPCUERMMIR-UHFFFAOYSA-N 443.717 6.025 10 1 IKCF CC(=O)c1ccccc1-c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2N)cn1 223751864 QXWPOPVIGTZLHN-CYYJNZCTSA-N 446.488 5.349 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)[C@H]1CC=C[C@@H]21 587272480 UIJMOMURQLRBAH-UFYHVXEKSA-N 432.377 5.764 10 1 IKCF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 587735183 WWRZQJZNVCAYNG-AMXDTQDGSA-N 431.324 5.758 10 1 IKCF C[C@@]1(c2ccc(N3CCCCCC3)cc2)NC2(CC2)Cc2ccc(Br)cc21 961614844 MFXCCCCUCKSEPE-QHCPKHFHSA-N 425.414 5.771 10 1 IKCF Cn1c(-c2c(C3=CC(=O)N(c4ccccc4)C3=O)c3ccccc3n2C)cc2ccccc21 1858287 KKAYPIDAIJGESD-UHFFFAOYSA-N 431.495 5.294 10 1 IKCF Cc1ccc(-c2cc(Nc3ccc(O)c(CN4CCN(C)CC4)c3)c3ccccc3n2)cc1 28244527 PHZGTXBOMBLHIH-UHFFFAOYSA-N 438.575 5.407 10 1 IKCF COc1cc(C/N=N/c2c(Cl)c(Cl)nc(C(=O)O)c2Cl)cc(OC)c1OC 169690353 MLZSPVWXRRWLFX-LSDHQDQOSA-N 434.663 5.050 10 1 IKCF C[C@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)s1 169730169 DXWCPXYNPXYAKV-LQYYBXHWSA-N 427.938 7.221 10 1 IKCF COc1cccc(-c2cccc(-n3c(-c4ccc(C)cc4)cc4c3CC(C)(C)CC4=O)c2)c1 587937059 HFFCFPMMFYCDBW-UHFFFAOYSA-N 435.567 7.283 10 1 IKCF CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4cccc(Cl)c4)c4ccccc34)[C@@H]21 64437191 JVXOEWBQAIFXQP-XMMPIXPASA-N 441.918 5.130 10 1 IKCF C[C@@H](/N=N/c1nc2c(F)cccc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 169730154 SYPFEVNUSWHJPZ-IIVKIZHKSA-N 429.860 6.892 10 1 IKCF Cc1c(CN[C@@H](C)c2ccccc2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1857574387 WKXONVNHMDNXOT-SFHVURJKSA-N 435.398 7.610 10 1 IKCF Cc1cnc2n1-c1ccc(N3CCNCC3)cc1Cc1cc(-c3ccc(Cl)cc3)oc1-2 73225055 CDAOXEMWBDQTEE-UHFFFAOYSA-N 430.939 5.075 10 1 IKCF O=S(=O)(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(-c2ccccc2)cc1 103299452 BPZKZKPGTJKFRF-UHFFFAOYSA-N 426.950 5.931 10 1 IKCF Nc1ccc(Oc2ccc3nc(C[C@@H](N)c4ccc(Br)cc4F)[nH]c3c2)cc1 587144488 MQYMBZCIZKUFHW-GOSISDBHSA-N 441.304 5.082 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3cccc4ccccc34)c1C)CC2=O 587470098 IBOXQROUJPAJGX-HHHXNRCGSA-N 425.528 6.612 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(OCc3ccccc3)cc2O)N1 587808155 NIMZQVJPTFUCKN-PSLXWICFSA-N 442.328 5.496 10 1 IKCF Cc1cc(C(F)(F)F)nn1CCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922775 VLKGSQSPDFWFRV-UHFFFAOYSA-N 448.489 6.123 10 1 IKCF CN1CCN(Cc2cc(Nc3cc(-c4ccc(F)cc4)nc4ccccc34)ccc2O)CC1 28246430 DLNAFUCSQOMWRU-UHFFFAOYSA-N 442.538 5.238 10 1 IKCF C[C@H]1CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@]12Cc1c(O)c(O)cc(C=O)c1O2 139622536 ZVQININUIPKADP-OAVPNAJUSA-N 442.596 5.234 10 1 IKCF Cc1cc(Br)cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587678168 JRQKRQYVCKLITQ-XTZNXHDOSA-N 443.154 5.162 10 1 IKCF FC(F)(F)c1[nH]nc(-c2ccc(Cl)cc2)c1/N=N/c1ccc(Br)cc1 169724828 PGLHQUUZHFYPRO-ZNTNEXAZSA-N 429.627 6.927 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c21 587047758 BLSQFQGSFHFODK-GJZGRUSLSA-N 433.294 5.916 10 1 IKCF COc1cc2c3c(c1)O[C@@H](c1c(C)n(Cc4ccc(Cl)cc4)c4ccccc14)[C@@H](C2)C3=O 587421253 LBBFQLSSWQBATM-KDYSTLNUSA-N 443.930 6.149 10 1 IKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 587570916 MTNXHWBOZMKVCF-BVAGGSTKSA-N 429.447 5.642 10 1 IKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(CN4CCCCC4)cc3)c2c1 95577135 NIVNKMPXQVXFGP-UHFFFAOYSA-N 431.967 6.780 10 1 IKCF Cc1ccc(C(C)C)c(OCC(=O)/N=N/c2c(O)[nH]c3ccc(Br)cc23)c1 100703103 KMGGZSIDMIPMHI-WCWDXBQESA-N 430.302 5.757 10 1 IKCF CCOc1cc(N(CC)CC)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587743176 WGUUPAURFCKKLP-JLCFBVMHSA-N 435.381 5.457 10 1 IKCF Oc1ccc(OC(F)(F)F)cc1[C@H]1c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962643697 VQNMEUCMWWHTRN-YADARESESA-N 440.465 5.127 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)cc2)cc1 587195374 IZAFVBUMTCRESV-UHFFFAOYSA-N 443.860 7.384 10 1 IKCF Cc1cc(-c2csc([C@@H](C)CNC(=O)c3ccccc3)n2)c(C)n1-c1ccccc1F 587922091 KCNSPKWWTTUCPA-INIZCTEOSA-N 433.552 5.890 10 1 IKCF Oc1c(Br)cc(Cl)cc1[C@H]1NC2(CC2)Cc2ccc(Br)cc21 961327182 UEIXJCXSUHEYPW-HNNXBMFYSA-N 443.566 5.338 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(Cl)cccc12 29479161 CFNPAJVHZJVQEQ-UHFFFAOYSA-N 427.913 5.165 10 1 IKCF COc1cc(OC)c(N2CCC3(CC2)c2c(F)cccc2C[C@@H]2CCCN23)cc1Cl 963111498 SDHGCXCJMDXSEN-KRWDZBQOSA-N 430.951 5.013 10 1 IKCF COc1ccc2c(c1)[C@]1(CC=C(C)C)CCN(Cc3ccccc3)[C@@H]1N2Cc1ccccc1 40835639 BOTUNKZALQDRDH-IHLOFXLRSA-N 438.615 6.542 10 1 IKCF Cc1ccc2c3c(cc(-c4cccc(-n5c(C)cc(C=O)c5C)c4)nc13)-c1ccccc1C2=O 587098193 OICVAVOKALQMME-UHFFFAOYSA-N 442.518 6.642 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(Br)cc3F)c1C)O2 587380957 DGAJBGRQDZSIBI-OAQYLSRUSA-N 443.316 5.593 10 1 IKCF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)n(-c3ccc(C(=O)O)cc3)c1C)CC2=O 587469850 HCDNNSMASTXTCX-SANMLTNESA-N 433.504 5.331 10 1 IKCF Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@H]1C=C[C@@H](NCc2ccc(N(C)C)cc2)C1 2356854895 QXBXWAOOKNNJCF-UKILVPOCSA-N 442.651 6.055 10 1 IKCF NC(=O)CCCCCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5422244 WUPAEDWFWINJNP-UHFFFAOYSA-N 425.576 6.890 10 1 IKCF Oc1cccc(CCCC/C=C\C/C=C\CCCCCCCc2cccc(O)c2O)c1O 13377939 QSKMIIVRMKYVQQ-PQZOIKATSA-N 438.608 7.308 10 1 IKCF biogenic,in-vitro CN(C)Cc1ccc2n1-c1cccc(Cl)c1SC2(c1ccccc1)c1ccccc1 13651995 ZRZIPMSKFWIYPD-UHFFFAOYSA-N 431.004 6.590 10 1 IKCF Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)c(/N=N/c2ccccc2Cl)s1 98083109 XVLBAKOUYKGRBI-BYYHNAKLSA-N 433.924 6.713 10 1 IKCF COc1cc2c3c(c1)O[C@]1(C[C@@H]4C(C)(C)CCC[C@]4(C)c4cc(O)c(O)cc41)[C@@H](C2)C3=O 587451266 QVXPMJQTMHETGL-AHVVJDIASA-N 434.532 5.237 10 1 IKCF Cc1cc(Cl)ccc1O[C@H](C)C(=O)N=Nc1c(O)[nH]c2ccc(Br)cc12 617960317 CEUYNANJDQHLCM-SNVBAGLBSA-N 436.693 5.676 10 1 IKCF CCN(CC)c1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 95590133 NWZMVWNSQIBDMT-UHFFFAOYSA-N 436.621 5.275 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(OCc3ccccc3)ccc2O)N1 587804978 GDYMNKIIGNXXNN-PSLXWICFSA-N 442.328 5.496 10 1 IKCF CC[C@@]12C=Cc3c(O)c(O)cc4c3[C@]1(CCC2)CC(c1cc(O)c(O)c2c(O)cccc12)=C4 2356358141 XPXWPLUTGTUOBV-IZLXSDGUSA-N 442.511 6.157 10 1 IKCF Cc1cc(C)n(CC2(C)COC(c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)OC2)n1 605631 CTDQPDMCNMBBKM-UHFFFAOYSA-N 428.536 5.309 10 1 IKCF C[C@@H]1CC/C(=C\c2ccc(N(C)C)cc2)C2=C1[C@H](c1ccc(N(C)C)cc1)NC(=S)N2 5581487 QVQJIPZPBHGBJF-HDUFONQBSA-N 432.637 5.105 10 1 IKCF Cc1cc(C)c(O)c(/N=N/c2cccc3c2C(c2ccccc2Cl)=N[C@H](C)C(=O)N3)c1 29125521 FMYCXRAOVUODSZ-FSGUPOOJSA-N 432.911 6.256 10 1 IKCF Cc1cccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587748603 AHDJGDANRADKJF-LFVRLGFBSA-N 427.361 5.928 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(NC(C)=O)c4)n3)c2C)c1 587924458 ZJMJVJURHCEFSH-UHFFFAOYSA-N 433.602 6.565 10 1 IKCF Oc1ccc2cc1Oc1ccc(cc1)CCc1cc(O)c(O)c(c1)Oc1cccc(c1)CC2 40872435 HIUFZGUHHFBMHA-UHFFFAOYSA-N 440.495 6.272 10 1 IKCF biogenic CC(=O)Oc1cc(O)c(O)cc1C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 238735217 GHCBDDDCJDLBPE-MLAGYPMBSA-N 440.624 7.711 10 1 IKCF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587075969 PGBJACFPQDKJEH-UHFFFAOYSA-N 438.874 5.153 10 1 IKCF Cc1cccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 587578459 QRLXADQYFWGZCE-SHQCIBLASA-N 425.484 5.811 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)c(Br)c2)N1 587676100 FHFDYCAISHSNSX-YPMLDQLKSA-N 442.170 5.040 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C[C@@H]3c4ccccc4N(C)[C@H]3C=C2)N1 587765754 DWAKGPIBQWYFPA-SLYOZJLYSA-N 425.345 5.262 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(-c3ccccc3)ccc2O)N1 587821113 GSICIXNESMKNTC-QKFKETGDSA-N 426.329 5.759 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C(F)(F)F)nc4)n3)c2C)c1 587924141 HTEOTDPOUYKRDC-UHFFFAOYSA-N 445.535 7.020 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(C)c3[nH]1)[C@H]1CC=C[C@@H]21 587271434 CEIMCUHOPZSCFR-CKNLXJGOSA-N 439.313 5.677 10 1 IKCF C[C@@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347753 UVTGCHARMWZIEK-BDYUSTAISA-N 447.506 5.107 10 1 IKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 587552476 RRGTZGNXAOZXIT-OZXSUGGESA-N 445.902 6.156 10 1 IKCF Cc1cc(-c2csc(-c3ccc(OCC(F)(F)F)nc3)n2)c(C)n1-c1ccccc1F 587921854 CJUPEBYHPJRHNV-UHFFFAOYSA-N 447.457 6.360 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(COc4ccc(F)cc4F)n3)c2C)c1 587924268 PEPOCMBKJOEHPU-UHFFFAOYSA-N 442.556 6.797 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Cl)cc4N)n3)c2C)c1 587924328 SAORMGBTNSQZFJ-UHFFFAOYSA-N 426.010 6.842 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 587747173 MUESIMWQHIHVKP-ASSNKEHSSA-N 448.336 5.110 10 1 IKCF CCCN(CCC)[C@@H](C)CC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 45190044 IAYWVCABORJZDB-MOPGFXCFSA-N 442.047 7.141 10 1 IKCF Cc1ncsc1C(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 150204743 XERHUZJRGWFKCK-KRWDZBQOSA-N 447.604 5.335 10 1 IKCF C[n+]1c2ccccc2c(NC2CCN(Cc3ccccc3O)CC2)c2[nH]c3ccccc3c21 64560270 AIPNZVQXIKFIRB-UHFFFAOYSA-O 437.567 5.081 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C 587752063 PVOJGOCBVUAIGS-OYLFLEFRSA-N 441.388 6.236 10 1 IKCF CC1=NN(c2cc(F)c(O)c(F)c2)C(=O)/C1=C\c1ccc(-c2ccccc2C(F)F)o1 1857557036 MSZYIGLMWSFOFV-YBEGLDIGSA-N 430.357 5.674 10 1 IKCF Cc1cc(-c2csc(/C(=C\c3ccccc3O)C(N)=O)n2)c(C)n1-c1ccccc1F 587921830 BLYQJTSLWKSCSW-PDGQHHTCSA-N 433.508 5.088 10 1 IKCF Cc1ccc(-c2ccc(CCC(=O)O)n2CCOc2cc(C)c(Cl)cc2C(C)C)s1 587942753 ADFUJCCAVJTVSM-UHFFFAOYSA-N 446.012 6.706 10 1 IKCF Oc1c(CN2CCCC2)cc(Cn2ccc3ccc(Br)cc32)c2cccnc12 1857642197 FOZHCDDXIBQJRP-UHFFFAOYSA-N 436.353 5.302 10 1 IKCF CC[C@@H]1CN(c2ccc([C@@H]3c4ccc(O)cc4CCN3c3ccccc3)cc2)CCN1C 34633737 VPWBEIUMAJCDIT-QDPGVEIFSA-N 427.592 5.075 10 1 IKCF COc1ccc(-c2ccc3c(NCCCNCc4cccc(OC)c4O)ccnc3c2)cc1 72124998 ZZEKWOJGPASPDB-UHFFFAOYSA-N 443.547 5.216 10 1 IKCF Cc1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2c1 587271800 IXLJJBOQNKQHQZ-BIENJYKASA-N 439.313 5.677 10 1 IKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccccc4Br)c1C)[C@@H](C2)C3=O 587414761 XHKALGLQMBUDFG-GAJHUEQPSA-N 438.321 5.354 10 1 IKCF CC[C@]1(c2ccc(Br)cc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587677328 IBXRZUCBAGJPGO-XTZNXHDOSA-N 443.154 5.244 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(-c3ccccc3)ccc2O)N1 587823474 UNERLEKALRJUKT-LFVRLGFBSA-N 426.329 5.759 10 1 IKCF COc1cccc(C(=O)N[C@@H](C=Cc2ccccc2)c2cc(Cl)c3cccnc3c2O)c1 1857621528 MIDIVLDQHNVZLB-QHCPKHFHSA-N 444.918 5.787 10 1 IKCF CNc1cccc(-c2cccc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)c1 587233064 ILTRGFOBZSOTIA-UHFFFAOYSA-N 429.479 5.714 10 1 IKCF COc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922694 SPZUDQHVGKLBOE-UHFFFAOYSA-N 435.524 5.547 10 1 IKCF Cc1cccnc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587748936 BWPQMLZBYWIRME-ASSNKEHSSA-N 428.349 5.323 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 587824252 VUOZRZMVLFPJCD-MYODQAERSA-N 444.344 5.059 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(CC(=O)Nc4ccccc4C)n3)c2C)c1 587924352 UEMQBOKLQDLFFT-UHFFFAOYSA-N 447.629 6.429 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c21 587047761 BLSQFQGSFHFODK-LSDHHAIUSA-N 433.294 5.916 10 1 IKCF O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H](CCCCCCO)CCCCCCCCCO 15274021 RTCUUMVKHRPOER-XEPMYJLFSA-N 436.589 5.079 10 1 IKCF O=C(Nc1ccccc1)N(Cc1cc(Br)ccc1O)c1ccccc1Cl 72177353 JJRADWMPGTVGRB-UHFFFAOYSA-N 431.717 6.047 10 1 IKCF COc1ccc(O)c([C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587804637 BLTFIJRVNJXDQY-PSLXWICFSA-N 442.328 5.129 10 1 IKCF Cc1cc2c(n1-c1cccc(Cl)c1)C[C@@H](C)C[C@@]21NCCc2ccc(C(=O)N(C)C)cc21 962930842 MRLWQYHVMQZNTE-CRYYWNKWSA-N 448.010 5.113 10 1 IKCF COc1ccc(CSCC(=O)c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)cc1 208401074 DPIIDSDHXSZGPU-UHFFFAOYSA-N 431.504 5.820 10 1 IKCF CC(C)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(C(C)C)c1O 103275231 IOJCEXBEZVPCCG-OCEACIFDSA-N 438.553 6.250 10 1 IKCF O=C(Cc1sc(/N=N\C=C\Cc2ccccc2)nc1O)Nc1ccc(Cl)c(Cl)c1 169692394 XUGQFTAMMMSXBI-IESBSGSBSA-N 447.347 6.177 10 1 IKCF Cc1ccc([C@@]2(c3cc(O)c(O)c([N+](=O)[O-])c3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587507945 DNOWAUYGQAIEJO-AREMUKBSSA-N 445.471 5.102 10 1 IKCF Cc1cccc2c(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c3ccccc3nc12 26847235 IMQKKBDSJCFJBN-UHFFFAOYSA-N 439.540 6.241 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1ccc(O)cc1)CCC2(C)C 84688045 MUNCXACQSGLKIZ-SFHVURJKSA-N 430.456 5.309 10 1 IKCF Cc1cc2c(C)c(O)c(O)cc2c2c1[C@]1(C)CC[C@]3(C)CC[C@](C)(C(=O)O)C[C@H]3[C@@]1(C)C=C2 2356489976 RBDGQMZJUTZCHP-OMNZJWBCSA-N 448.603 6.850 10 1 IKCF CCCC(=O)N(c1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1)S(C)(=O)=O 28005295 YBDDMECKBVNDDO-UHFFFAOYSA-N 447.560 5.533 10 1 IKCF O=C(c1ccccc1)c1ccccc1Nc1nc(NCc2cccs2)ncc1[N+](=O)[O-] 64499548 NZHNEGCQCUDKOL-UHFFFAOYSA-N 431.477 5.033 10 1 IKCF CCN(CC)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 95583719 DEHAAMLMSFLDOS-UHFFFAOYSA-N 443.012 5.890 10 1 IKCF Oc1c(Cl)cc(Cl)cc1C/N=N/c1nc(-c2ccc(Cl)c(Cl)c2)cs1 169722288 DOCGDQSCJJLIAX-XTQSDGFTSA-N 433.147 7.413 10 1 IKCF Cc1ccccc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587751104 KSPYRNSCJSQOTB-PSLXWICFSA-N 427.361 5.928 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cn(C5CCCC5)nc4N)n3)c2C)c1 587924282 PRMDTHSBVSNYFM-UHFFFAOYSA-N 449.649 6.500 10 1 IKCF O=C(Nc1ccccc1)N(Cc1ccc(F)cc1)Cc1cccc(Br)c1O 45340087 DOFNHGGYAVHZBW-UHFFFAOYSA-N 429.289 5.528 10 1 IKCF Cc1cc(-c2csc(-c3ccc(SC(C)(C)C)nc3)n2)c(C)n1-c1ccccc1F 587922547 QAFJHMTWCTWCLW-UHFFFAOYSA-N 437.609 7.309 10 1 IKCF Cc1cc(-c2csc(Cc3ccc(Br)cc3)n2)c(C)n1-c1ccccc1F 587922592 QYIKIEUQXHBMGS-UHFFFAOYSA-N 441.369 6.710 10 1 IKCF CN(C)c1ccc([C@@H](CC(=O)c2cc3ccccc3o2)Nc2ccc(C(=O)O)cc2)cc1 103170280 IQRQIJBAOPJXAM-JOCHJYFZSA-N 428.488 5.623 10 1 IKCF CCCOc1ccc(N2CC[C@@H](Oc3ccc([C@H](C)C(=O)NCC)cc3)C2)c(Cl)c1 1772606575 QQVAOLGLCLZAST-LAUBAEHRSA-N 430.976 5.026 10 1 IKCF CC(=O)OC1CCN([C@@H](c2ccc(Cl)c(Cl)c2)c2c(O)ccc3ccccc23)CC1 72142788 FTSGUKNYQIHBPQ-DEOSSOPVSA-N 444.358 5.969 10 1 IKCF COc1ccc(Cn2c(C)nc(Cc3ccc(N)cc3)c2Cc2ccc(Cl)cc2)cc1 84604158 MHEKRKYUGZKZOH-UHFFFAOYSA-N 431.967 5.666 10 1 IKCF CCCOCCc1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)c(F)c2)c1C 653693423 HTARZKYTCQVFSW-UHFFFAOYSA-N 433.520 5.104 10 1 IKCF C[C@]1(c2cc(Br)cc(Cl)c2O)NCCc2cccc(-c3ccccc3)c21 962659251 BKOQHRWUQUFWCP-JOCHJYFZSA-N 428.757 5.884 10 1 IKCF O[C@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1ccnc2cc(Cl)ccc12 28568294 AMZBWFJFFBAXHD-SFHVURJKSA-N 426.225 5.407 10 1 IKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(COc5ccccc5Cl)cc4)nc3c2)cc1 587063138 FJSVWGJFNGWSPT-UHFFFAOYSA-N 441.918 6.837 10 1 IKCF COc1cccc(-c2cc(F)cc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)c1 587160215 MHYUQCYOWCYOHT-UHFFFAOYSA-N 425.463 6.419 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587751705 OEVRKASUYIEZDF-PSLXWICFSA-N 427.361 5.928 10 1 IKCF COC(=O)[C@@H](C)c1ccc(-c2ccc(NCc3cc(CN(C)C)ccc3O)cc2)c(F)c1 1911585080 HHOFXEFSELLKIT-KRWDZBQOSA-N 436.527 5.149 10 1 IKCF C[C-](C)/N=N/c1cc(NCCSCc2ccc(CN(C)C)o2)c([N+](=O)[O-])cc1[N+](=O)[O-] 169712283 JAMACJSZZXIJRL-QURGRASLSA-N 449.513 5.158 10 1 IKCF COc1cc(/C=C/c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)ccc1Br 586976446 KSRFQXVALFTEGH-QDEBKDIKSA-N 436.309 5.879 10 1 IKCF Cc1ccnc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587750064 GGLNARIZBBMJDW-WHEQGISXSA-N 428.349 5.323 10 1 IKCF CCOc1cc(N2CCCC2)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587768834 WQVXUXMABJOFIB-FPTDNZKUSA-N 433.365 5.211 10 1 IKCF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F 963221866 BFBNUQZCWKUIJB-IVCQMTBJSA-N 436.483 5.094 10 1 IKCF Oc1ccc2cc1-c1cc(ccc1O)CCc1c(ccc(O)c1O)Oc1cccc(c1)CC2 40392498 QUYHSAXCXCKFJP-UHFFFAOYSA-N 440.495 5.852 10 1 IKCF biogenic C[C@@H]1C(=O)C(=O)C[C@@H]2[C@@H]1CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](C)C(=O)[C@@H](O)[C@]3(C)CC[C@]12C 169720455 OOALVIYVCHJQAF-JDCIDRKFSA-N 442.640 5.006 10 1 IKCF COc1cccc(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)c1 223763431 BPFPVUOTNINTHJ-OCEACIFDSA-N 434.477 5.155 10 1 IKCF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F 963221868 BFBNUQZCWKUIJB-PUAOIOHZSA-N 436.483 5.094 10 1 IKCF Cc1ccc(NC(=O)c2sc3ccccc3c2O)c(C(=O)Nc2ccc(Cl)cc2)c1 13487508 WHOUMWOPGIGSTK-UHFFFAOYSA-N 436.920 6.073 10 1 IKCF CN(C)[C@@H](Cn1c(CCC(=O)O)ccc1-c1cccs1)c1cccc(Br)c1 587939170 IVOFPPRUVFCREW-IBGZPJMESA-N 447.398 5.299 10 1 IKCF O=C1Nc2ccccc2/C1=C/c1cn(C(=O)c2c(Cl)cccc2Cl)c2ccccc12 72106111 VZFWBLNAWKREPU-ATVHPVEESA-N 433.294 6.129 10 1 IKCF Oc1ccc2ccccc2c1-c1cc2nc3cc(Cl)c(Cl)cc3nc2c2ccccc12 72110968 JVPDZNVOAZMPMX-UHFFFAOYSA-N 441.317 7.769 10 1 IKCF C1=CC=C2NCCCCCCC/N=C3/C=CC=CC=C3NCCCCCCC/N=C\2C=C1 102956721 RUJKWYHYWIPGTB-VUGPWPOLSA-N 432.656 5.982 10 1 IKCF COC(=O)c1ccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587510603 BMAABKWIICDULR-VWLOTQADSA-N 429.516 5.466 10 1 IKCF COc1cccc(-c2cc(O)cc(-c3nc4ccc5c(c4[nH]3)C(=O)c3ccccc3C5=O)c2)c1 587931649 CHJTZIOOHWGTFU-UHFFFAOYSA-N 446.462 5.387 10 1 IKCF CSc1ccc(-n2c(C)cc([C@H]3N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)c2C)cc1 963224277 BPCBSEWFWANOTD-JWQCQUIFSA-N 443.572 5.053 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(N=Nc3ccccc3)ccc2O)N1 587738750 CMPCYIARXZWPJY-DMZKTXOQSA-N 440.316 6.333 10 1 IKCF Cc1cc(OCCn2c(C)ccc2-c2ccc(S(C)(=O)=O)cc2)c(C(C)C)cc1Cl 587942825 BJUAEUCLACTYMM-UHFFFAOYSA-N 446.012 6.031 10 1 IKCF CCCCCC(=O)N[C@H](C(=O)Nc1ccc(N)cc1)c1ccc(OCc2ccccc2)cc1 1911577627 PSKCYSWAARCQOR-SANMLTNESA-N 445.563 5.224 10 1 IKCF CN(CCCC(C)(C)N=[N+]=[N-])[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932967 MCTPUCATBKPDNG-AMKJHPCNSA-N 428.665 6.480 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(F)c3[nH]1)[C@H]1CC=C[C@@H]21 587277256 RLKDMPXQOVYRKJ-VBHSOAQHSA-N 443.276 5.508 10 1 IKCF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(C)[C@H](C(=O)O)c2ccccc2)c(C)c1 13732504 UKUWMWGBWCUYLK-VWLOTQADSA-N 442.563 5.229 10 1 IKCF Cc1ccc([C@@H](Nc2nc3ccc(Cl)cc3s2)c2c(O)ccc3ccccc23)cc1 169351601 UQOUDHKTZBZCAQ-XMMPIXPASA-N 430.960 7.318 10 1 IKCF Oc1ccc(C2=Cc3cc(CN4CCCCC4)c(O)cc3OC2)cc1CN1CCCCC1 473147452 FHHFPNCRKGQLHX-UHFFFAOYSA-N 434.580 5.003 10 1 IKCF COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5CCc6c(ccc(O)c6O)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O 587450574 MXISNIZXWURFHT-AHKCUYFPSA-N 446.543 5.149 10 1 IKCF COc1ccc2c(c1)[C@@]1(CC=C(C)C)CCN(Cc3ccccc3)[C@@H]1N2Cc1ccccc1 40835641 BOTUNKZALQDRDH-LOYHVIPDSA-N 438.615 6.542 10 1 IKCF c1ccc(CN2CCCc3cc(OCCCN4CCN(c5ccccc5)CC4)ccc32)cc1 45494991 ITGZDJYRGNLFSG-UHFFFAOYSA-N 441.619 5.231 10 1 IKCF COc1ccc([C@H](Nc2nc3c(Cl)cccc3s2)c2c(O)ccc3ccccc23)cc1 169352037 WGRLLEVKSGEEJJ-QHCPKHFHSA-N 446.959 7.019 10 1 IKCF COc1cccc(-c2cccc(-n3c(CCC(=O)O)ccc3-c3ccc(Cl)cc3)c2)c1 587924879 BDQVAZBFWWXYRF-UHFFFAOYSA-N 431.919 6.491 10 1 IKCF CN1C(=O)/C(=C/N2N=C(c3ccc4ccccc4c3)C[C@@H]2c2ccccc2O)SC1=S 653899416 YZXLFSTYFXHALB-IDCRMVTHSA-N 445.569 5.028 10 1 IKCF CN(C)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCCCc2ccccc2)cc1 73197447 BQKIBOLMIDESIW-UHFFFAOYSA-N 427.637 6.838 10 1 IKCF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(C)C 587751835 BAGVNWAURWDAHO-PSLXWICFSA-N 429.377 6.131 10 1 IKCF COc1cccc(C(=O)O[C@H]2CCC(C)(C)c3ccc4c(c32)C(=O)C(=O)c2c(C)coc2-4)c1 84688345 QAXXYUBBUAXYON-IBGZPJMESA-N 444.483 5.612 10 1 IKCF Oc1cccc(/C=C/c2cc(O)c(O)c(Oc3ccc(CCc4cccc(O)c4)cc3)c2)c1 238757609 KYOAASXKOPQPAF-MDZDMXLPSA-N 440.495 6.257 10 1 IKCF Cc1oncc1C(=O)Nc1ccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc1 587244879 NXMWKTOBTGYTHM-UHFFFAOYSA-N 439.475 5.077 10 1 IKCF Cc1ccccc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587578164 QKVZMWREQDUBER-SHQCIBLASA-N 425.484 5.811 10 1 IKCF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2ccc(F)cc2)[C@@H]1CO 95878152 KGULNRRGRNBHOX-TUSQITKMSA-N 435.543 5.189 10 1 IKCF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc2n1CC(C)C 587751834 BAGVNWAURWDAHO-LFVRLGFBSA-N 429.377 6.131 10 1 IKCF CCOc1cc(N2CCCC2)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587768272 TZMKSFQLPGLGJC-FPTDNZKUSA-N 433.365 5.211 10 1 IKCF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 963640618 WUSJQCTYAQTMLH-QQFJXXMUSA-N 433.592 5.501 10 1 IKCF CCS(=O)(=O)Nc1ccc(Nc2c3cccc(C)c3nc3c(C)cccc23)c(OC)c1 26842169 NNFOVQBNDZHEPE-UHFFFAOYSA-N 435.549 5.519 10 1 IKCF OCCC[C@H]1CC[C@]2(CC(c3cc(O)c(O)c4c(O)cccc34)=Cc3cc(O)c(O)cc32)C1 85569200 LOMAVZWOPVEFOI-KUNJGFBQSA-N 448.515 5.123 10 1 IKCF biogenic,in-vitro CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(F)cc2)cc1 95580700 GRJVQDCAARFQCO-UHFFFAOYSA-N 446.975 5.721 10 1 IKCF CCCC(=O)Nc1ccc2c(Nc3ccc(NS(C)(=O)=O)cc3)c3ccccc3nc2c1 26841946 QFIQARFGVKQNAF-UHFFFAOYSA-N 448.548 5.242 10 1 IKCF CCS(=O)(=O)Nc1ccc(Nc2c3ccc([N+](=O)[O-])cc3nc3c(C)cccc23)cc1 26848904 VNAQWBPJOGYTJU-UHFFFAOYSA-N 436.493 5.110 10 1 IKCF CN(C)c1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2C(=O)c2ccccc2)cc1 29128806 ZEMFKSUHGOMNNG-GDLZYMKVSA-N 445.566 6.411 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Cl)cc2O)N1 587692623 BMRCWCORUGHGBT-WHEQGISXSA-N 446.747 5.773 10 1 IKCF COc1ccc2c(c1)Cc1cc(/N=[N+](/[O-])c3ccc4c(c3)Cc3cc(OC)ccc3-4)ccc1-2 100136367 RRRRLIBKNAGCTJ-QVIHXGFCSA-N 434.495 6.772 10 1 IKCF in-vitro Cc1cc(C(F)(F)F)n(CCc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)n1 587921872 DGAWGDAPRSXZCU-UHFFFAOYSA-N 448.489 6.123 10 1 IKCF c1ccc(/N=N/c2ccc(CN3CCN([C@H]4CC[C@@H](c5ccccc5)CC4)CC3)cc2)cc1 1857608835 QLIGVLXYBKGYKY-HPLPCMJKSA-N 438.619 6.946 10 1 IKCF O=C(C(=O)c1ccc(Nc2ccnc3cc(-c4ccccn4)ccc23)cc1)c1ccccc1 45209811 RFNBCWUELPZJQJ-UHFFFAOYSA-N 429.479 6.106 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(C(=O)OC)cc3)c1C)CC2=O 587472114 YITSVBFXQLPLGQ-DEOSSOPVSA-N 433.504 5.245 10 1 IKCF Cc1ccc(Cn2c(C)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)cc1 587515677 OBZIVDZNBQSMEQ-MUUNZHRXSA-N 435.567 6.892 10 1 IKCF CSc1nc(SC)c2c(CN=[N+]=[N-])c(Br)n(Cc3ccccc3)c2n1 5767562 XMHIOTBEDIVQPV-UHFFFAOYSA-N 435.376 5.496 10 1 IKCF COc1ccc([C@@H](c2cc(C(C)(C)C)cc(O)c2O)c2ccc(C(C)C)cc(=O)c2O)cc1 28218733 AFYHNDFDUOGPFP-RUZDIDTESA-N 448.559 5.773 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccccc1O)CCC2(C)C 84687431 UZMHVHCTTVVWJH-IBGZPJMESA-N 444.483 5.238 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 587819156 GWMQFXSAYVSILM-SPSFWMDKSA-N 444.344 5.059 10 1 IKCF COc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1cccc(N2CCCCC2)c1 224877281 OGVANAALBWFWBB-UHFFFAOYSA-N 429.520 5.190 10 1 IKCF COc1cc(/C=C\c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)ccc1Br 586976445 KSRFQXVALFTEGH-JYOAFUTRSA-N 436.309 5.879 10 1 IKCF O=[N+]([O-])c1cc(Br)cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078202 KOMPAYNFXAUHCZ-JKDFXYPNSA-N 445.704 5.714 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 587276593 MWGNZDYKOOZSTD-VBHSOAQHSA-N 443.276 5.508 10 1 IKCF COP(=O)(Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(N(C)C)c1)OC 29331815 TUSNOHJYYFJAMU-UHFFFAOYSA-N 436.452 6.010 10 1 IKCF O=C1C(=C(O)c2ccccc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 101099972 DZXPJRHNZRWVSR-UHFFFAOYSA-N 425.271 5.258 10 1 IKCF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 587735184 WWRZQJZNVCAYNG-IPQOISQHSA-N 431.324 5.758 10 1 IKCF Cc1ccc(C(C)C)c(OCC(=O)N=Nc2c(O)[nH]c3ccc(Br)cc23)c1 617960308 KMGGZSIDMIPMHI-UHFFFAOYSA-N 430.302 5.757 10 1 IKCF COc1cc([C@H](C)N=N)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1 169713932 QCHCYGLWMQANFY-INIZCTEOSA-N 440.519 5.716 10 1 IKCF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@@H]3C=CC[C@H]3[C@H](C(=O)O)N4)nc3cccc1c23 587106676 MURGXLPNHCBWMU-XAPAVIRMSA-N 444.490 5.652 10 1 IKCF Nc1ccc(Oc2ccc3nc([C@@H]4CCCN4C(=O)Nc4ccc(F)cc4)[nH]c3c2)cc1 587168439 WCHNLHNKRSVTIV-QFIPXVFZSA-N 431.471 5.446 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(CCN(C(C)=O)C(C)C)n3)c2C)c1 587924395 WKZLMQXEUPSEAE-UHFFFAOYSA-N 427.639 5.739 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c21 587954942 FKFOQHDKOIZUTA-HSZRJFAPSA-N 428.491 5.713 10 1 IKCF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccccc2)([C@H](O)c2ccc(N(C)C)cc2)N1 962955100 RSJCYTQMGJWLFL-KPGYKUMBSA-N 425.576 5.135 10 1 IKCF Cc1cc(Cl)ccc1OCCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587066119 IZYJVAVSUHDSAP-UHFFFAOYSA-N 430.891 5.312 10 1 IKCF Cc1cc(-c2csc(CCN(C)C(=O)OC(C)(C)C)n2)c(C)n1-c1ccccc1F 587921870 DDASAXFHPJMANY-UHFFFAOYSA-N 429.561 5.766 10 1 IKCF CN(C)c1ccc(-c2[nH]c3cc(Cl)ccc3c2[C@H](C[N+](=O)[O-])c2cccs2)cc1 1857549099 RUXJRJZJZPSTHZ-GOSISDBHSA-N 425.941 6.024 10 1 IKCF O=C1C(=Cc2ccc(F)cc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 209109424 ZOUZPNZOPOZFHZ-UHFFFAOYSA-N 427.262 5.511 10 1 IKCF COc1ccc(N(Cc2cc(Br)ccc2O)C(=O)Nc2ccccc2)c(F)c1 653733670 CSEZSWYTNGYGCE-UHFFFAOYSA-N 445.288 5.541 10 1 IKCF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 587704118 SGTYNTOLMAJBFR-VERVWZFWSA-N 447.779 6.273 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(F)ccc2O)N1 587735578 XWDSFUBIAGJCNL-XMHCIUCPSA-N 430.292 5.259 10 1 IKCF CCCOc1ccccc1-c1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1 587924270 PGKATJDCSQYPJD-UHFFFAOYSA-N 434.630 7.395 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)ccc2O)N1 587811234 VYIUVEBGPALVIE-FATZIPQQSA-N 442.328 5.496 10 1 IKCF O=C1c2ccc(O)cc2OC2(CCN(c3ccc4c(c3)CCC4)CC2)[C@@H]1c1ccc(F)cc1 587345585 QESGMDWCKDEXIF-AREMUKBSSA-N 443.518 5.418 10 1 IKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(Br)cc4)c1C)[C@@H](C2)C3=O 587416625 DORPDNMUYLFROS-CVDCTZTESA-N 438.321 5.354 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(OCc3ccccc3)ccc2O)N1 587804980 GDYMNKIIGNXXNN-QKFKETGDSA-N 442.328 5.496 10 1 IKCF CN(C)c1ccc([C@H]2N[C@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)cc1 26816286 CFPAEAOCFWPJMN-AZGAKELHSA-N 433.559 5.600 10 1 IKCF O=[N+]([O-])c1ccc(/N=N/Nc2ccc([N+](=O)[O-])cc2Br)c(Br)c1 35822504 ZEKQPFMDXLSKEX-UHFFFAOYSA-N 445.027 5.139 10 1 IKCF Oc1ccc(CN(Cc2cc(Cl)cc(Cl)c2O)C(=S)Nc2ccccc2)cc1 45338014 APBCLSCKMPCKMF-UHFFFAOYSA-N 433.360 5.804 10 1 IKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cccc(C(F)(F)F)c4)c1C)[C@@H](C2)C3=O 587424162 XVXHSHNJQXQDFP-WMZHIEFXSA-N 427.422 5.610 10 1 IKCF CC1CCN(c2ccc([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)cc2)CC1 587765923 FDOFPKDJNVIEAZ-WAIKUNEKSA-N 431.393 5.622 10 1 IKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)[C@@H](C2)C3=O 587424624 QHSLWRPQXBVDOL-WMZHIEFXSA-N 425.431 5.193 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccccc3C(=O)OC)c1C)CC2=O 587469824 GKXWXQJQZWJPGZ-XMMPIXPASA-N 433.504 5.245 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587277174 PYXMZSGLGPXIGL-CLUVUEOHSA-N 443.276 5.508 10 1 IKCF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 587735185 WWRZQJZNVCAYNG-VERVWZFWSA-N 431.324 5.758 10 1 IKCF CN(C)c1ccc(/C=C/[C@]2(c3ccccc3)NCCc3cccc(-c4ccccc4)c32)cc1 962667325 NOJMQVJBXRLXCB-VBTALOSXSA-N 430.595 6.522 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c21 587242774 RHEFVCOGOFKKAW-UHFFFAOYSA-N 431.451 5.455 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cc4c(cc3C)OCCO4)c1C)CC2=O 587471262 PFMIYFMITMLEBO-DEOSSOPVSA-N 447.531 5.538 10 1 IKCF CC[C@@]1(c2cc(Cl)cc(Cl)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587691594 GXJMLJHFCVEVDC-LZVRBXCZSA-N 433.148 5.788 10 1 IKCF COc1cccc2c(Nc3ccc(NC(=O)Nc4ccccc4)cc3)c3ccccc3nc12 653774607 VJEFDVADTSIYPV-UHFFFAOYSA-N 434.499 6.784 10 1 IKCF Oc1c([C@H](Nc2ccccn2)c2cccc(C(F)(F)F)c2)cc(Cl)c2cccnc12 96285982 HTXHEDGTGSQXTR-LJQANCHMSA-N 429.829 6.209 10 1 IKCF Oc1c([C@H](Nc2ccc(Cl)cn2)c2ccc(C(F)(F)F)cc2)ccc2cccnc12 203770774 QUZWUSZETMJLKQ-LJQANCHMSA-N 429.829 6.209 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(C(F)(F)F)cc4)n3)c2C)c1 587924229 NFQJBVGNRBBQIA-UHFFFAOYSA-N 444.547 7.625 10 1 IKCF COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(Cl)cc(Br)c2)cc1 587940008 IERZZYSBHIUXQL-UHFFFAOYSA-N 434.717 5.586 10 1 IKCF COc1ccc(N2CCN(CCCCCCN3C(=O)c4cccc5cccc3c45)CC2)cc1 1857544560 XPJNHBUTMFYRJT-UHFFFAOYSA-N 443.591 5.191 10 1 IKCF CN(C)CCOc1ccc(/C(=C(/CCN=[N+]=[N-])c2ccccc2)c2ccc(O)cc2)cc1 14978654 IXAUZZLGXQQMMN-QPLCGJKRSA-N 428.536 5.992 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c(C)c1 587750866 JZFZAKQUOQCFJM-IZHWHUGBSA-N 441.388 6.236 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(Cl)c4Cl)n3)c2C)c1 587924464 ZRGFHNTWCKZANR-UHFFFAOYSA-N 445.440 7.913 10 1 IKCF CCCCNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 53186498 YCBYQCRJMMEVLC-UHFFFAOYSA-N 434.565 5.715 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(F)cc3[nH]1)[C@H]1CC=C[C@@H]21 587277176 PYXMZSGLGPXIGL-UFYHVXEKSA-N 443.276 5.508 10 1 IKCF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1Cl 587693784 FLHMFLQEWXPINR-AMXDTQDGSA-N 447.779 6.273 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c(C)c1 587751655 NJESXIAXHUIVPE-OWJWWREXSA-N 441.388 6.236 10 1 IKCF O=C1[C@@H](c2ccccc2)Oc2cccc(O)c2[C@]12c1ccsc1CCN2Cc1ccco1 962706235 LQRNAFYIDUFBEF-AOYPEHQESA-N 443.524 5.051 10 1 IKCF CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)NCCc1ccc(O)c(O)c1 8860431 CYGBGFOMNYTSCV-QNEBEIHSSA-N 441.656 7.126 10 1 IKCF O=C(Cc1sc(/N=N/Cc2cccs2)nc1O)Nc1ccc(Cl)c(Cl)c1 169691991 QVPSUVHSAWXBPH-ZBJSNUHESA-N 427.338 5.682 10 1 IKCF CCOc1ccc(Nc2ccnc(N3CCN(c4ccc(OC)cc4)C(C)(C)C3)n2)c(C)c1 53184382 SMKXTUQDLSRMEN-UHFFFAOYSA-N 447.583 5.041 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c21 587093953 VRYVEZOSOYMJJV-UHFFFAOYSA-N 439.418 5.055 10 1 IKCF COc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1OC 587924070 CBNPOISBZJEQAE-UHFFFAOYSA-N 436.602 6.624 10 1 IKCF O=C(O)c1ccccc1-c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)o1 653821000 FPDHFAJPJUEJDC-QJOMJCCJSA-N 434.451 5.479 10 1 IKCF Cc1ccc([C@H](NC(=O)COCc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 40919059 XXEIIQNKCAMOGD-DEOSSOPVSA-N 446.934 5.325 10 1 IKCF CN(C)c1ccc(/C=C2\N=C3CN=C(c4ccccc4)c4cc(Cl)ccc4N3C2=O)cc1 169319699 XTMWGZJJZZNGKH-HMAPJEAMSA-N 440.934 5.043 10 1 IKCF O=C(O)c1ccc(CN2C(=O)/C(=C/c3ccc(Oc4ccccc4)cc3)SC2=S)cc1 205392499 HHTVJTCIDBIDQQ-STZFKDTASA-N 447.537 5.579 10 1 IKCF NCc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1 26836395 ANEFFJLFCWAALP-UHFFFAOYSA-N 433.515 6.234 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4[nH]3)cc2)cc1 587195389 JOQDCGOHYPPTCC-UHFFFAOYSA-N 431.412 5.528 10 1 IKCF COc1cccc(-c2cc(-c3ccc(O)c(CN(C)C)c3O)nc3c2oc2ccccc23)c1 587359765 HPBUKCIBTHKIAK-UHFFFAOYSA-N 440.499 5.796 10 1 IKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cccc(C(F)(F)F)c4)c1C)[C@@H](C2)C3=O 587424159 XVXHSHNJQXQDFP-CVDCTZTESA-N 427.422 5.610 10 1 IKCF CCN(CC)CCC[C@@H](C)Nc1c2cc(OC)ccc2nc2cc(Cl)c([N+](=O)[O-])cc12 37625977 WTWMCRORZREROG-OAHLLOKOSA-N 444.963 5.881 10 1 IKCF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc2n1CC(C)C 587579309 UKRBDHZECXWMIP-SQHAQQRYSA-N 427.500 6.014 10 1 IKCF Cc1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)c(C)n1-c1cccc(C(F)(F)F)c1 962660149 GDJVUKLRZSGBJB-MHZLTWQESA-N 446.516 7.015 10 1 IKCF COc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1C(=O)CCc1ccc(O)c(O)c1 2356424344 OPTNSSIVXUBMMA-UHFFFAOYSA-N 440.536 5.568 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c3c2)cc1 587017705 PAZZNNYIEDSDCZ-UHFFFAOYSA-N 426.501 5.663 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 587272140 OADVVPOZNFZGAF-VFVRVIDISA-N 425.286 5.369 10 1 IKCF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1cc(C(=O)O)cc(O)c1O 15117529 BSKXNBAQBKFMLO-FLPKSHQQSA-N 426.597 7.484 10 1 IKCF CN1C[C@@H](c2ccccc2)c2cc(O)c(CN3CCCCC3)cc2C[C@H]1Cc1ccccc1 138389005 PHNIMNKOWAJGED-PXJZQJOASA-N 440.631 5.609 10 1 IKCF COc1ccc([C@@H](Nc2cc(C)c(Cl)cn2)c2ccc3cccnc3c2O)cc1OC 203771924 NPDAPYIBNMGBAK-JOCHJYFZSA-N 435.911 5.516 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)c2C)c1 587924244 ODUNVLLLAFBXLC-UHFFFAOYSA-N 445.440 7.913 10 1 IKCF Cc1c(CNCC2CCCCC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 1857560376 ZVVQKGIOVYRGDW-UHFFFAOYSA-N 427.419 7.429 10 1 IKCF O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2 101947393 HEQWCUKWRYJVJE-AXHZCLLHSA-N 438.499 5.592 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(OCc3ccccc3)cc2O)N1 587808153 NIMZQVJPTFUCKN-LFVRLGFBSA-N 442.328 5.496 10 1 IKCF O=C(O)c1ccc(N[C@@H](c2ccc(Br)cc2)c2ccc3cccnc3c2O)cc1 653798423 PKCXEKWXPIBUME-FQEVSTJZSA-N 449.304 5.603 10 1 IKCF O=C(O)c1cccc(-c2ccc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)o2)c1 45299275 WAJXCRXCBWHFKY-ZHZULCJRSA-N 435.526 5.089 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cc3ccccc3)ccc2O)N1 587823312 TVLDZIJGNGZNIE-FATZIPQQSA-N 426.329 5.508 10 1 IKCF Cc1ccc(-n2c(C)ccc2-c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1C(=O)O 28707656 YNGYDYOYWOAUDY-UHFFFAOYSA-N 449.909 6.831 10 1 IKCF CC(=O)Oc1ccc(O)c(O)c1CC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 169371190 QUMFQHZIHBPZFC-ZRBLBEILSA-N 448.688 8.031 10 1 IKCF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ccc(Br)cc4)c1C)[C@@H](C2)C3=O 587416626 DORPDNMUYLFROS-WMZHIEFXSA-N 438.321 5.354 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(F)c(F)c3F)c1C)CC2=O 587466849 PETLIBAIDHMVHD-NRFANRHFSA-N 429.438 5.876 10 1 IKCF Oc1ccc2cc1-c1cc(ccc1O)CCc1c(ccc(O)c1O)Oc1cccc(c1)/C=C/2 153907271 VJVIVKRBECFLNS-SNAWJCMRSA-N 438.479 6.237 10 1 IKCF CCN(CC)c1ccc(/C=C2/SC(Nc3ccc(Oc4ccccc4)cc3)=NC2=O)cc1 299865618 NZHHSVZQPINYEV-HKOYGPOVSA-N 443.572 6.408 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(Br)c(C)c3)c1C)O2 587378990 YMUIZXXVRHOSHX-QFIPXVFZSA-N 439.353 5.762 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]4CC[C@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 587409787 WPBFBAKHQNCTLI-OIAHLXPQSA-N 449.591 5.072 10 1 IKCF CCCc1c(O)ccc2c1O[C@](CSc1ncc(C)s1)(c1cccs1)CC2=O 587493756 GNBLPELYEXOPGC-OAQYLSRUSA-N 431.604 5.824 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(-c3ccc(C=O)cc3)cc2O)N1 587822510 OMAXOQKJQWNYKP-JCQPUDPBSA-N 440.312 5.397 10 1 IKCF COc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3O)n2)cc1 1857584436 LDVODOMCSBPUEX-QHCPKHFHSA-N 427.529 5.880 10 1 IKCF Cc1ccccc1[C@H](NC(=O)COc1ccccc1)c1cc(Cl)c2cccnc2c1O 40412059 AICCFEAVYLIUQM-QHCPKHFHSA-N 432.907 5.187 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@](CN1CCCC1)(c1cc(C)n(-c3ccc(F)cc3)c1C)O2 587384010 IUMBDTVPAMIJGS-MHZLTWQESA-N 447.554 5.080 10 1 IKCF Cc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2N2CCCC2)c(C)n1-c1ccc(F)cc1 587630341 JINVQYHAPQXMLC-UHFFFAOYSA-N 425.910 6.774 10 1 IKCF CCOc1cc(-n2c(CCC(=O)O)ccc2-c2ccc(C)s2)c(Cl)cc1C(=O)O 587941392 OGNSOFDQLWLDBT-UHFFFAOYSA-N 433.913 5.282 10 1 IKCF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2c1 587271829 JLLHXRXMJQLXIE-BIENJYKASA-N 438.871 5.046 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3cc(Cl)ccc3Cl)c1C)CC2=O 587462240 NZVOJELCYYGMBB-QHCPKHFHSA-N 444.358 6.766 10 1 IKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 587552477 RRGTZGNXAOZXIT-ZEQKJWHPSA-N 445.902 6.156 10 1 IKCF CCCCCCOC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1cccc(CC(C)C)c1C2=O 85592744 SRVSLLQIKQGUMY-UIOOFZCWSA-N 426.553 5.252 10 1 IKCF biogenic,in-vitro O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc21 587088362 YORKJNAHHBLYBE-UHFFFAOYSA-N 436.858 5.116 10 1 IKCF CCCCC/C=C\CC[C@H](O)CCCCCCCc1nc(-c2ccc(O)c(O)c2)n[nH]1 1857750383 LFMVQOXVYYQCJW-LHFJYWTJSA-N 429.605 6.044 10 1 IKCF CN(C)c1ccc(/N=N/c2nc3ccc(OCCOCCOCC[18F])cc3s2)cc1 101508900 BYFWYPGZHMAEOF-SUSWHKJKSA-N 431.524 5.159 10 1 IKCF Cc1cncc(N[C@@H](c2cccc(OCc3ccccc3)c2)c2ccc3cccnc3c2O)c1 103301016 HDWQDGWOFZBTMP-MHZLTWQESA-N 447.538 6.424 10 1 IKCF Cc1cc(Br)c2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2c1 587271802 IXLJJBOQNKQHQZ-IQUTYRLHSA-N 439.313 5.677 10 1 IKCF c1ccc2c(c1)c(N1CCCCC1)cc1nc3c(cc(N4CCCCC4)c4ccccc43)nc12 5580932 QXZAXVPILHFJMI-UHFFFAOYSA-N 446.598 7.070 10 1 IKCF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)c1 587236523 XGDNRLDMGZRXCJ-UHFFFAOYSA-N 448.526 5.555 10 1 IKCF [N-]=[N+]=NCCCCCCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587260627 WWLSRSJUWNZKLV-UHFFFAOYSA-N 432.937 5.430 10 1 IKCF COc1cc2c(cc1OC)[C@@](CC(=O)c1ccccc1)(c1cc(C)ccc1O)N(C)[C@@H](C)C2 962643722 XVSYENMJHZZEJP-VKGTZQKMSA-N 445.559 5.111 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=C[C@H]3c4ccccc4N(C)[C@@H]3C=C2)N1 587770143 PIYMEDQEEXSWND-YMBWLWPWSA-N 425.345 5.262 10 1 IKCF CCCCCC[C@H](O)C/C=C\CCCCCCCc1nc(-c2ccc(O)c(O)c2)n[nH]1 1857745019 PUKWLRWPARAYIZ-ZAGZISDZSA-N 429.605 6.044 10 1 IKCF Nc1ccc(Oc2ccc3nc(CSCc4cccc(OC(F)(F)F)c4)[nH]c3c2)cc1 587123836 UPNQUASWZJPFFP-UHFFFAOYSA-N 445.466 6.269 10 1 IKCF CCCCCCNc1ccc(Nc2c3ccc(Cl)cc3nc3ccc(OC)cc23)cc1 53228126 MWKSDFGLOSJJTG-UHFFFAOYSA-N 433.983 7.786 10 1 IKCF COc1cc(OC)c(N2CCC3(CC2)c2c(F)cccc2C[C@H]2CCCN23)cc1Cl 963111505 SDHGCXCJMDXSEN-QGZVFWFLSA-N 430.951 5.013 10 1 IKCF Cc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2N2CCCC2)c(C)n1-c1ccc(F)cc1 587629987 CHRUGAKPUVWZCD-UHFFFAOYSA-N 425.910 6.774 10 1 IKCF CC[C@]1(c2ccc(Cl)c(Cl)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587698905 WBSLEYQWWQECOQ-DYBLOJMWSA-N 433.148 5.788 10 1 IKCF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)cc1 587733278 LFJNCRHLDOLHAH-IPQOISQHSA-N 431.324 5.758 10 1 IKCF C1=CC=C2NCCCCCCC/N=C3\C=CC=CC=C3NCCCCCCC/N=C\2C=C1 104192732 RUJKWYHYWIPGTB-JTOFGPGKSA-N 432.656 5.982 10 1 IKCF CC(=O)N1N=C(c2ccc3c(c2O)C=C[C@](C)(CCC=C(C)C)O3)C[C@H]1c1cccnc1 169341811 AHZATKWRXLBRCP-OZXSUGGESA-N 431.536 5.396 10 1 IKCF Cc1cccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587748605 AHDJGDANRADKJF-QKFKETGDSA-N 427.361 5.928 10 1 IKCF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(N(CC)[C@H](C(=O)O)c2ccccc2)cc1 13732462 PFOYNRHXNOJZBY-VWLOTQADSA-N 442.563 5.311 10 1 IKCF Cc1c(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc(-c2ccc(F)cc2)n1C 587165759 CIAULRQWHHTFOY-UHFFFAOYSA-N 435.458 5.458 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCCC3)cc2)N1 587768708 VWYWLVXBHYSPTI-HJPURHCSSA-N 431.393 5.766 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(c2ccccc2O)N1 587832890 LBTQHSUQJTUMMM-VOIUYBSRSA-N 440.356 5.704 10 1 IKCF COc1ccccc1-c1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 587930112 CVIIZDSQRNFEIC-UHFFFAOYSA-N 430.463 5.681 10 1 IKCF Cc1ccc([C@@H]2CC(c3cc(Br)ccc3O)=NN2C(=O)c2ccco2)cc1 299840708 YWYFHRGBFGTQFU-SFHVURJKSA-N 425.282 5.048 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(F)cc(Br)cc4[nH]3)cc2)cc1 587196123 RDDRWZHLRJLRRH-UHFFFAOYSA-N 438.304 6.613 10 1 IKCF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1Cc1ccccc1F 587500516 CTLZQMQCFTYFDR-HHHXNRCGSA-N 439.530 6.722 10 1 IKCF COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccccc3O)C2)cc1 1857571096 BBTNLAWYSZPTDU-QHCPKHFHSA-N 427.529 5.880 10 1 IKCF COc1ccc(-c2nnc(-c3cc(OC(F)(F)F)ccc3N3CCCCC3)o2)cc1OC 1857574977 BYSXYFYNCUJKEV-UHFFFAOYSA-N 449.429 5.310 10 1 IKCF Cc1cc2oc(=O)cc(CN=[N+]=[N-])c2cc1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 49112258 XMCMPTQIXRAIAZ-UHFFFAOYSA-N 439.280 5.019 10 1 IKCF C[C@@H]1CC[C@H]2[C@](C)(CC[C@H]3C(C)(C)[C@@H](O)CC[C@]32C)[C@@]12Cc1c(O)c(O)cc(C=O)c1O2 85899359 ZVQININUIPKADP-PVKLCXEISA-N 442.596 5.234 10 1 IKCF biogenic COc1cccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)c1OC 587924254 ORSDMLIDNXLMEJ-UHFFFAOYSA-N 436.602 6.624 10 1 IKCF CO[C@@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@H]1N=[N+]=[N-] 105481001 NBKQFQWEPBVLEY-UAFMIMERSA-N 438.311 5.146 10 1 IKCF O=C(Nc1cccc([C@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)c1)c1ccc(F)cc1 3093396 ZZIXCHIEESZZDI-BXTSTYNKSA-N 434.514 7.058 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1ccc1cccnc12 26844368 IOCNNQWCNHNVAX-UHFFFAOYSA-N 444.516 5.060 10 1 IKCF COc1cccc(CNCCCNc2ccnc3cc(CC4CCCCC4)ccc23)c1O 72123157 DFBADZAUOJWDTA-UHFFFAOYSA-N 433.596 5.664 10 1 IKCF Cc1ccccc1-c1ccc(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587958658 DVRPABBKDYSRJW-UHFFFAOYSA-N 428.491 5.905 10 1 IKCF CC(=O)Nc1ccc(-n2c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587513893 VDZJTIICQQKXQI-AREMUKBSSA-N 428.532 5.638 10 1 IKCF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1 33970421 SMBFHJNRJHAKGZ-UHFFFAOYSA-N 428.941 5.064 10 1 IKCF Cc1nc(-c2ccccc2)sc1C(=O)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 71282214 DQTWXLMKCQSFPN-NRFANRHFSA-N 440.528 5.211 10 1 IKCF Cc1cccnc1-n1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587748938 BWPQMLZBYWIRME-YEJXKQKISA-N 428.349 5.323 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1C 587752062 PVOJGOCBVUAIGS-OWJWWREXSA-N 441.388 6.236 10 1 IKCF Cc1ccc(-c2cc3c(n2-c2ccc(-c4cccc(F)c4)c(F)c2)CC(C)(C)CC3=O)cc1 587945731 OOPCJZXRGATZNV-UHFFFAOYSA-N 441.521 7.553 10 1 IKCF O=S(=O)(Nc1nc2ccccc2s1)c1ccc(NCc2cccc(Cl)c2O)cc1 103266578 BHZKLCGNCPDCBF-UHFFFAOYSA-N 445.953 5.068 10 1 IKCF Cc1ccc(O)c(CN2CCC[C@@H](COC(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1 45210099 SZISNXWNKXTRNA-HXUWFJFHSA-N 437.530 5.997 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c21 587134488 LXRYFPZRNZUCNK-VURMDHGXSA-N 440.327 5.204 10 1 IKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1 587570918 MTNXHWBOZMKVCF-JYFHCDHNSA-N 429.447 5.642 10 1 IKCF CN(C)c1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2C(=O)c2ccccc2)cc1 29128805 ZEMFKSUHGOMNNG-LJAQVGFWSA-N 445.566 6.411 10 1 IKCF C[C@H](NC(=O)[C@H](C)C(F)(F)F)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149935680 PMTAIGMKDDAQLC-IRXDYDNUSA-N 446.513 5.455 10 1 IKCF Cc1ccc(C)n1-c1ccccc1C(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661130 NDXKSYCGLIZSON-UHFFFAOYSA-N 437.474 5.299 10 1 IKCF Cc1ccc(O)c([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587821082 GOYKFPFGIRYFPI-CMJOXMDJSA-N 426.329 5.428 10 1 IKCF CC[C@@H](OC(=O)c1ccccc1)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922969 ZOLXUSXNHVHYTJ-HSZRJFAPSA-N 434.536 6.665 10 1 IKCF CC1(C)CC(=S)C2=C(C1)Oc1ccc3ccccc3c1[C@@H]2c1cccc(Br)c1 103272225 MWAYLTQKEFTQTK-QFIPXVFZSA-N 449.413 7.571 10 1 IKCF COc1ccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587753317 UZZVMADAKUFXCX-ZAMGYDSWSA-N 443.360 5.628 10 1 IKCF COc1ccc(Cn2c3c(c4ccccc42)CCN(Cc2ccccc2)C3=S)cc1O 653821669 KUCVEVUCQXGEJZ-UHFFFAOYSA-N 428.557 5.138 10 1 IKCF COc1ccc2c(c1)[C@]1(CC=C(C)C)CCN(Cc3ccccc3)[C@H]1N2Cc1ccccc1 195329181 BOTUNKZALQDRDH-KYJUHHDHSA-N 438.615 6.542 10 1 IKCF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)cc2N1 587122265 BFPVIBUQGNRXLW-ADLMAVQZSA-N 428.418 5.108 10 1 IKCF Cc1cc2c(cc1-n1c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c1C)OCCO2 587512255 MQAMAIFCCISEQR-VWLOTQADSA-N 443.543 5.759 10 1 IKCF Cc1cc2c(n1-c1cccc(Cl)c1)C[C@H](C)C[C@@]21c2c(F)cccc2C[C@@H]2CCCN21 963101984 JUVVGQAZCGRCJK-WNLMNSNFSA-N 434.986 6.425 10 1 IKCF Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@H](c3ccc(N(C)C)cc3)C2)ccc1O 28653255 OQRARBGKUBHCHV-DEOSSOPVSA-N 444.604 5.623 10 1 IKCF CCOc1cc(N(CC)CC)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587743175 WGUUPAURFCKKLP-FPTDNZKUSA-N 435.381 5.457 10 1 IKCF CC1CCN(c2ccc([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587769277 ODIQHUBBVDNDRG-QMHKHESXSA-N 431.393 5.622 10 1 IKCF NCCc1ccc(NC(=O)Nc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1 26839288 UOOQMDHRVUKLLS-UHFFFAOYSA-N 447.542 6.277 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c1ccc1ncccc12 28010590 GBVDLDUGBDXUJE-UHFFFAOYSA-N 444.516 5.060 10 1 IKCF Cc1ccc(C(=O)O)cc1-n1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587512904 PPFFEXDNZWRCEW-RUZDIDTESA-N 429.516 5.686 10 1 IKCF Cc1ccccc1-n1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587750952 KSPYRNSCJSQOTB-FATZIPQQSA-N 427.361 5.928 10 1 IKCF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F 963221865 BFBNUQZCWKUIJB-CPJLOUKISA-N 436.483 5.094 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(C)c(Cl)ccc12 26844347 SQBFUOZYFHBSJL-UHFFFAOYSA-N 441.940 5.474 10 1 IKCF COc1ccccc1NC(=S)N1N=C(c2ccc(O)c(C)c2)C[C@@H]1c1ccc(F)cc1 28653365 XCZUDNITCVDMQP-OAQYLSRUSA-N 435.524 5.396 10 1 IKCF Oc1ccc(Cl)cc1CN1CCC(CCOC(c2ccccc2)c2ccccc2)CC1 45189939 GKQZNXSYVFTMHJ-UHFFFAOYSA-N 435.995 6.454 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc4nc5ccccc5nc4cc3[nH]1)[C@H]1CC=C[C@@H]21 587277159 PVFVGQQOXRLDFL-TWKFVSLJSA-N 448.486 5.702 10 1 IKCF Cc1nc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@H]3c3ccccc3O)s2)cs1 71335174 ULBISZSIVFWUTD-IBGZPJMESA-N 446.557 5.272 10 1 IKCF COc1cc(C/N=N/c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 169688529 HOBHMZDCKDJZFV-IMVLJIQESA-N 448.479 5.522 10 1 IKCF CC(=O)Nc1ccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587513895 VDZJTIICQQKXQI-SANMLTNESA-N 428.532 5.638 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCCC3)cc2)N1 587769618 YQBFLURJKYXREB-QMHKHESXSA-N 431.393 5.766 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(CCNC(=O)OC(C)(C)C)n3)c2C)c1 587924344 SVYBCISCXZJJPB-UHFFFAOYSA-N 443.638 6.007 10 1 IKCF Cc1cccc(-n2c(C)cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 587578455 QRLXADQYFWGZCE-RPLLCQBOSA-N 425.484 5.811 10 1 IKCF CCOc1cc(N(CC)CC)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587741240 MKHBRPXZHMBPCV-RCDICMHDSA-N 435.381 5.457 10 1 IKCF Cc1cc(CNCCCCNCc2ccc(N3CCCC3)c(C)c2)ccc1N1CCCC1 1857604117 AVXMSIZIDBKRBW-UHFFFAOYSA-N 434.672 5.163 10 1 IKCF CC(C)N(CCOc1cc2oc3c(c2cc1Cl)C(=O)c1ccccc1C3=O)C(C)C 28713986 JNORYMREWKZSLL-UHFFFAOYSA-N 425.912 5.359 10 1 IKCF CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C(/c1ccc(Cl)cc1)N1CCC(C)CC1 43080136 JGPYQZHHHUJZCZ-DQRAZIAOSA-N 428.363 5.859 10 1 IKCF CC(=O)N[C@@H](c1cn(-c2ccccc2)nc1-c1ccccc1)c1c(O)ccc2ccccc12 98084229 BDVFQYICLUROIP-NDEPHWFRSA-N 433.511 5.624 10 1 IKCF CC(C)=CCc1c(O)c(O)cc2c1oc1oc3c4c(c(C)c(O)c3c(=O)c12)OC(C)(C)C=C4 14823707 UAZJALAPKMYVEE-UHFFFAOYSA-N 448.471 5.811 10 1 IKCF biogenic C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 587726172 VRKYAEHJOPBTHD-PEBXRYMYSA-N 435.356 5.515 10 1 IKCF COc1cc(/C=C/c2cccc(/C=C/c3ccc(N(C)C)c(OC)c3)n2)ccc1N(C)C 28948991 WNKBRGRDSFRASQ-WFYKWJGLSA-N 429.564 5.572 10 1 IKCF CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)c(OC)c1 26849115 KQJAQQAWRNUSOU-UHFFFAOYSA-N 449.576 6.072 10 1 IKCF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccccc1Cl 587693788 FLHMFLQEWXPINR-IPQOISQHSA-N 447.779 6.273 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(OCc3ccccc3)ccc2O)N1 587811236 VYIUVEBGPALVIE-PSLXWICFSA-N 442.328 5.496 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C2C(=O)c3ccccc3C2=O)(C(C)(C)C)N1 587819146 GWMQFXSAYVSILM-DAOPMYJZSA-N 444.344 5.059 10 1 IKCF CN1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@@H]21 27518858 KCGKCOSXAOFVQE-JBBQQGGESA-N 442.603 5.526 10 1 IKCF COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(CN4CCN(C)CC4)cc3)c2c1 95577268 LMHFMSSXSUQOKY-UHFFFAOYSA-N 446.982 5.541 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(Br)ncc(F)c4[nH]3)cc2)cc1 587196119 QYENAYGKHIIQGI-UHFFFAOYSA-N 439.292 6.008 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 587748229 SUZYBJFZVUDJSG-YEJXKQKISA-N 448.336 5.110 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 587824276 ZIAPSLOUDVBGBV-LRTDBIEQSA-N 448.420 6.512 10 1 IKCF COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(N(C)C)cc4)C3=C(O)C2)cc1 103919069 VAJLNVULQULABQ-MMTVBGGISA-N 439.559 6.390 10 1 IKCF Cc1cc(-c2csc(-c3ccc(Br)cc3F)n2)c(C)n1-c1ccccc1F 587921827 BKDWUHZMDVVVBY-UHFFFAOYSA-N 445.332 6.925 10 1 IKCF O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@@H]1c1cc(F)ccc1O 71333660 UEKKBQYUBLZVCB-HXUWFJFHSA-N 444.491 5.041 10 1 IKCF O=C(c1ccc(Oc2ccccc2)cc1)c1cc(Cc2ccc(F)cc2)c(O)c(O)c1O 84614525 HPVFXUOQZGTENQ-UHFFFAOYSA-N 430.431 5.557 10 1 IKCF O=C(O)c1cccc2c(-c3ccc(F)cc3)c(-c3ccc(Br)cc3O)[nH]c12 587638748 UXHMUENPRZLTOI-UHFFFAOYSA-N 426.241 5.807 10 1 IKCF CC[C@]1(c2cc(Cl)cc(Cl)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587697019 VQKBUHSLNYDINR-YYSFKGJASA-N 433.148 5.788 10 1 IKCF Cc1ccc([C@@H](NC(=O)CN(C)c2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1 40899977 LXYGEWKTQYLOOA-XMMPIXPASA-N 445.950 5.244 10 1 IKCF Oc1ccccc1CN1CCC(CCO[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 45227333 ZBJVGPZLFRJZAC-MHZLTWQESA-N 435.995 6.454 10 1 IKCF COc1ccc2nc3cc(Cl)ccc3c(NC3CCN(Cc4ccc(C)cc4)CC3)c2c1 95578284 MBDMTTGWMFULJN-UHFFFAOYSA-N 445.994 6.435 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4cc(C(F)(F)F)ccc4C(F)(F)F)[nH]c3c2)cc1 587095028 NCILEKFXCWDTFE-UHFFFAOYSA-N 437.343 6.642 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc([N+](=O)[O-])c(Cl)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587272575 VPUPCTAHIHQFAC-CLUVUEOHSA-N 425.832 5.168 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)cc(F)c3[nH]1)[C@@H]1CC=C[C@@H]21 587277257 RLKDMPXQOVYRKJ-VFVRVIDISA-N 443.276 5.508 10 1 IKCF COc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587753312 UZZVMADAKUFXCX-JCQPUDPBSA-N 443.360 5.628 10 1 IKCF COc1ccc(-c2cc3c(n2-c2cccc(C4=NC(C)(C)CO4)c2)CC(C)(C)CC3=O)cc1 587936558 VYJFYMUDXOEYHU-UHFFFAOYSA-N 442.559 5.863 10 1 IKCF CN(C)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(Cl)cccc12 27722081 IXMVPHOQILTMNY-UHFFFAOYSA-N 440.956 5.223 10 1 IKCF CC(=O)Nc1cc(NC[C@H](C)O)c(Cl)cc1/N=N/c1ccc([N+](=O)[O-])cc1Cl 31273312 ZUPIQBGINDIKCE-FUWUYMEBSA-N 426.260 5.068 10 1 IKCF CCN(Cc1nc2cc(C(F)(F)F)ccc2nc1-c1ccccc1)c1ccc(OC)cc1 103266376 UXBPYAOGIJAAMM-UHFFFAOYSA-N 437.465 6.351 10 1 IKCF COc1ccc(C/C=C(\N=N\c2nc3ccccc3c(=O)n2C)c2ccccc2)cc1OC 169720515 ZNPRRQSLUHGCST-ZPLWMURKSA-N 440.503 5.318 10 1 IKCF Cc1c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980174 PKXSMTJJTYRRKQ-UHFFFAOYSA-N 439.269 5.584 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 587272134 OADVVPOZNFZGAF-JCGVRSQUSA-N 425.286 5.369 10 1 IKCF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Cl)c1 587704117 SGTYNTOLMAJBFR-IPQOISQHSA-N 447.779 6.273 10 1 IKCF COc1cc(/C=C/c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)cc(O)c1O 587784598 AZZLQTPHZKKMJZ-SNAWJCMRSA-N 447.329 5.341 10 1 IKCF c1ccc2c(NCCCCNc3c4ccccc4nc4ccccc34)c3ccccc3nc2c1 5208884 MKFRLGCMWOIRSO-UHFFFAOYSA-N 442.566 7.394 10 1 IKCF O=C1CC2(CCN(c3ccc(OC(F)(F)F)cc3)CC2)Oc2c1ccc1c2CCCC1 587505672 MJTALNWZOGBDLG-UHFFFAOYSA-N 431.454 5.468 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(CC(=S)N4CCOCC4)n3)c2C)c1 587926372 XVFCASUKBVUWJZ-UHFFFAOYSA-N 443.663 5.142 10 1 IKCF CCN1CCN(c2ccc([C@H]3NCCc4cccc(-c5ccccc5)c43)c(Cl)c2)CC1 962664889 IHRRVDQFXOIBTM-HHHXNRCGSA-N 432.011 5.384 10 1 IKCF CC[C@H](C)Oc1ccc(/N=N/C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br 73162902 ANUDFYACVKLLCX-JNEGGWAFSA-N 446.257 6.205 10 1 IKCF CCN1CCN(c2ccc([C@H]3c4ccc(O)cc4CCN3c3ccccc3)cc2)C[C@H]1C 253637719 CQMHXNWJGFZDKE-PIKZIKFNSA-N 427.592 5.075 10 1 IKCF CCOc1ccc(C2=NC3(CCN(C(C)C)CC3)N[C@H](c3cc(Cl)ccc3O)C2)cc1 9542969 AJKMRFMDBKNIBU-QHCPKHFHSA-N 442.003 5.169 10 1 IKCF CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N=[N+]=[N-])CC[C@]4(C)[C@H]3CC[C@@]21C 118921355 RCKIGAULIXJKAB-LZEVUWDUSA-N 442.692 7.267 10 1 IKCF O=N[C@H](COc1cc(F)cc(F)c1)n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 587945279 MKMZYYKNCJDFHF-FQEVSTJZSA-N 434.826 5.448 10 1 IKCF CC(C)=CCc1c(O)c(CC=C(C)C)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O 14727560 GSHUDNOZKCPBAA-UHFFFAOYSA-N 438.476 5.005 10 1 IKCF biogenic CC1=NN(c2ccc(C)cc2)C(=O)[C@@H]1/N=N/c1n[nH]c2nc3cc4ccccc4cc3cc12 103153651 ZMDIWHOQYWYTCU-CNGAEFARSA-N 433.475 5.448 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4c(C(F)(F)F)n[nH]c4C(F)(F)F)[nH]c3c2)cc1 587120771 VDPVIFORQPNAMT-UHFFFAOYSA-N 427.308 5.365 10 1 IKCF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1 587353219 MNHMHFCZMIGPGS-VPUSJEBWSA-N 442.442 5.245 10 1 IKCF Cc1cc(-c2csc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)n2)c(C)n1-c1ccccc1F 587922311 ODKRQIOIGSLVCQ-QGZVFWFLSA-N 441.572 6.081 10 1 IKCF O=C(Nc1nc2cc(O)c(O)cc2s1)c1ccccc1Oc1ccc2cc(O)ccc2c1 1857542317 FRSGRURBNYCMBJ-UHFFFAOYSA-N 444.468 5.611 10 1 IKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c(Br)cnc(Cl)c3[nH]1)N2 587078549 VMEZAKATNNAKRB-RBZYPMLTSA-N 436.140 5.854 10 1 IKCF O=C1C(=Cc2c[nH]c3ccccc23)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 653768350 IASXYPILMGNTEW-UHFFFAOYSA-N 448.309 5.853 10 1 IKCF Oc1cc2c(cc1O)CN(CC[C@H](Oc1ccccc1C(F)(F)F)c1ccccc1)CC2 13530667 KCMGKHORSUDFCC-QHCPKHFHSA-N 443.465 5.685 10 1 IKCF FC(F)(F)c1nc(Cl)[nH]c2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc1-2 587078366 OTAUECUVKGIOKD-SBMIAAHKSA-N 426.229 5.457 10 1 IKCF COC(=O)c1ccc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc2c1OC 587196107 QSIKJAYOEYRVMB-UHFFFAOYSA-N 429.480 5.507 10 1 IKCF COc1cc2c3c(c1)O[C@](CSc1ncc(C)s1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587450842 LEVSSOQIELNDNH-HTAPYJJXSA-N 443.977 5.549 10 1 IKCF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)c1c(O)cc(O)cc1Oc1ccc3ccccc3c12 962949114 PFXCZMKBNBRPNO-SFNQZPIRSA-N 448.522 6.054 10 1 IKCF COc1cccc(OCc2ccc(-c3nc4cc(Oc5ccc(N)cc5)ccc4[nH]3)cc2)c1 587780489 ARPOWVVSWCRPAH-UHFFFAOYSA-N 437.499 6.192 10 1 IKCF COc1cc(Cn2c3c(c4ccccc42)CCN(Cc2ccccc2)C3=S)ccc1O 653819818 BJAZOPWSHQOIKK-UHFFFAOYSA-N 428.557 5.138 10 1 IKCF CCOc1ccc(-n2c(C)cc([C@@H]3c4ccsc4CCN3Cc3cccn3C)c2C)cc1 962394819 BMYJDUFIUGFJRC-MHZLTWQESA-N 445.632 6.041 10 1 IKCF CN(C)c1ccc([C@@]2(c3ccccc3)c3ccsc3CCN2Cc2cccn2C)cc1 962396386 GQBYZFASKJPYSU-MHZLTWQESA-N 427.617 5.503 10 1 IKCF Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN(N1CCCC1)N1CCCC1 27519472 CRPGYKPKIJMQEG-UHFFFAOYSA-N 437.975 5.161 10 1 IKCF Cc1ccc2c(c1)[C@H](C(=S)Nc1c(C(C)C)cccc1C(C)C)c1ccccc1CO2 27894806 DPHCHNOPDDIKIK-AREMUKBSSA-N 429.629 7.706 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)c1ccc(F)cc1)CCC2(C)C 84687583 GTPVRBLJFKYIAT-GOSISDBHSA-N 432.447 5.743 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(O)c3[nH]1)[C@@H]1CC=C[C@H]21 587271970 MGWGHAZAZWIPHF-JKDFXYPNSA-N 441.285 5.074 10 1 IKCF [N-]=[N+]=NCCCCc1ccc(-c2ccc(-c3ccc(-c4cccs4)s3)s2)s1 1772653600 GADWDUUTIJLOCD-UHFFFAOYSA-N 427.645 8.567 10 1 IKCF COc1cccc(-c2csc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3O)n2)c1 1857603688 KAKHSJXVXRUANP-HSZRJFAPSA-N 427.529 5.880 10 1 IKCF O=C(O)[C@@H]1CCCN(CCC/C=C/c2cccc(/N=N/c3cccc4ccccc34)c2)C1 1857631638 OPYYBKVZCIOLEP-DQMHZJCBSA-N 427.548 6.845 10 1 IKCF Oc1ccc(Cl)cc1[C@@H]1C=C(c2ccc3c(c2)OCO3)N[C@H](c2ccc(Cl)cc2)N1 2934317 GRZGEYHQQBTIAR-CVDCTZTESA-N 441.314 5.402 10 1 IKCF Cc1cc(-c2csc(CCN3C(=O)c4ccccc4C3=O)n2)c(C)n1-c1ccccc1F 587922995 ZVAPLQMUZDVIMQ-UHFFFAOYSA-N 445.519 5.195 10 1 IKCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc(OC(C)C)c(Cl)cc1Cl 587943407 ZRKGNELSJUMBNW-UHFFFAOYSA-N 438.376 5.950 10 1 IKCF O=S(=O)(Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)c1ccccc1 29466847 NJONKTQXERJMCB-UHFFFAOYSA-N 425.513 5.932 10 1 IKCF CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCC[C@@H]2N(C)c1ccc(OC)cc1C 40413759 JPGZXIYEXVGIKX-SANMLTNESA-N 444.619 6.713 10 1 IKCF C[C@@H](/N=N/c1nc2ccccc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)s1 169730168 DXWCPXYNPXYAKV-SJOCPNOISA-N 427.938 7.221 10 1 IKCF CCCCN(CCCC)c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587738588 BNSYPQQLMZJMJQ-OSPHWJPCSA-N 447.436 6.618 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587751707 OEVRKASUYIEZDF-QKFKETGDSA-N 427.361 5.928 10 1 IKCF Cc1cc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587679745 SAQRUXIAAJSQNM-MLCYQJTMSA-N 443.154 5.162 10 1 IKCF Cc1cc(-c2csc(C[C@H](C)n3ccc(C(F)(F)F)n3)n2)c(C)n1-c1ccccc1F 587922656 RVWKADVODKLEMU-ZDUSSCGKSA-N 448.489 6.376 10 1 IKCF COc1ccc([C@@]2(C)NCCc3cc4cccc(OC)c4nc32)cc1-n1c(C)ccc1C 963056171 LGJVFDBDFYPFFX-HHHXNRCGSA-N 427.548 5.069 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCc2ccccc2)(c2ccccc2O)N1 587832889 LBTQHSUQJTUMMM-UPCLLVRISA-N 440.356 5.704 10 1 IKCF COC(=O)[C@@H](C)c1ccc(-c2ccc(NCc3cc(NC(C)=O)ccc3O)cc2)c(F)c1 1911581406 WVNVIUIYWFIRCB-HNNXBMFYSA-N 436.483 5.045 10 1 IKCF C[C@H]1c2c(Cl)c(O)c(O)c(Cl)c2CCN1C(=S)NCCc1ccc(Cl)cc1 29123280 PJIDRAVOPYFKTG-JTQLQIEISA-N 445.799 5.094 10 1 IKCF O=C(Nc1cccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3C=CC[C@H]32)c1)c1ccc(F)cc1 63540175 ZZIXCHIEESZZDI-OARDWFSCSA-N 434.514 7.058 10 1 IKCF Cc1cc(C(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)ccn1 113624079 XUFOGEWNIZRFHC-UHFFFAOYSA-N 442.968 5.373 10 1 IKCF CCCc1c(O)ccc2c1O[C@@]1(C=C(c3ccccc3)Oc3c1ccc(O)c3O)CC2=O 587493235 UEPORKZLHRRNGV-AREMUKBSSA-N 430.456 5.050 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 587759005 ZSDPHFWSIHODAH-FYSMJZIKSA-N 439.372 5.480 10 1 IKCF Oc1c(Br)cc(Br)cc1CNc1ccc(Br)cc1 72177436 KDWDCJGSWIWOHN-UHFFFAOYSA-N 435.941 5.292 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 587726171 VRKYAEHJOPBTHD-JLCFBVMHSA-N 435.356 5.515 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 587759008 ZSDPHFWSIHODAH-UPCLLVRISA-N 439.372 5.480 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cc3ccccc3)ccc2O)N1 587823317 TVLDZIJGNGZNIE-QKFKETGDSA-N 426.329 5.508 10 1 IKCF CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](NCc1ccccc1O)c1ccccc1 13737279 FDZRPLKYQYKXIG-VWLOTQADSA-N 445.607 6.292 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccnc5ccccc45)n3)c2C)c1 587924294 QGPCUFZGTVLCGR-UHFFFAOYSA-N 427.598 7.155 10 1 IKCF CCC[C@@]12C[C@@H](O[C@@H](C)[C@H]1O)c1ccc3c(c1N2)C(=O)c1ccc2cc(C)ccc2c1C3=O 2356704022 FRAARNLUWMVPMQ-CPDDIUBASA-N 441.527 5.099 10 1 IKCF COc1ccc(-c2nn(-c3ccccc3)cc2C/N=N/c2ccc3ccccc3n2)cc1OC 169690663 CSOOVSHZEJBLOP-SJCQXOIGSA-N 449.514 6.389 10 1 IKCF CC(C)=CCC/C(C)=C/Cc1c(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc(O)c1O 207002552 YDAGCGVGALMTOH-VGOFMYFVSA-N 438.476 5.223 10 1 IKCF Oc1ccc(F)cc1[C@@]1(c2ccc(Cl)cc2)c2ccsc2CCN1Cc1ccco1 962704065 IHUIMOSVXAPNPA-XMMPIXPASA-N 439.939 6.189 10 1 IKCF CC(C)(C)c1ccc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c(O)c1 963833581 XJILCUZCECKHOG-SANMLTNESA-N 426.560 5.985 10 1 IKCF Oc1ccc2c(c1)/C=C/c1cc(O)c(O)c(c1)Oc1ccc(cc1)CCc1cccc(c1)O2 14683077 AWRXEILMVYDSJV-RMKNXTFCSA-N 438.479 6.657 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2c(C)cccc12 26846909 YAGHQTIMYYHUEQ-UHFFFAOYSA-N 441.940 5.474 10 1 IKCF O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NC(=O)c1ccc(/N=N/c2ccccc2)cc1 13766007 IEEJSEQJVHAWCD-CIXVHWRMSA-N 445.563 6.448 10 1 IKCF CN(C)CCOc1ccc(/C(=C(/CCCN=[N+]=[N-])c2ccccc2)c2ccc(O)cc2)cc1 14978656 JTJSLKFUDOMDOL-RQZHXJHFSA-N 442.563 6.382 10 1 IKCF Cn1c2c3ccccc3nc-2c(NC2CCN(Cc3ccccc3O)CC2)c2ccccc21 169729272 UAMNPSIICHIXHN-UHFFFAOYSA-N 436.559 5.613 10 1 IKCF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 587699656 RHENMEUYSPMSDF-VERVWZFWSA-N 447.779 6.273 10 1 IKCF Oc1cc(O)c2c(c1)OC=C(c1ccccc1)[C@]21NCCc2c(Cl)cc(Cl)cc21 963120577 KNWRRTSGCJGIFB-QHCPKHFHSA-N 426.299 5.227 10 1 IKCF Cc1ccc(-c2cn(-c3cccc(Br)c3)c3c2C(=O)c2ccccc2C3=O)cc1 1857751057 NHHAWIUBACZKDG-UHFFFAOYSA-N 442.312 5.991 10 1 IKCF COc1cc(OC[C@H]2CC2(F)F)ccc1N1CC(Oc2ccc([C@H](C)CC(C)=O)cc2)C1 96172896 CEABTFYDBBJZEP-VQIMIIECSA-N 445.506 5.079 10 1 IKCF CCC[C@]12C[C@@H](O[C@H](C)[C@H]1O)c1ccc3c(c1N2)C(=O)c1ccc2cc(C)ccc2c1C3=O 100302834 FRAARNLUWMVPMQ-VFEZHZOWSA-N 441.527 5.099 10 1 IKCF in-vitro CC(C)(C)OC(=O)N1CCc2cc(O)cc(O)c2[C@H]1Cc1ccc(-c2ccccc2)cc1 103173757 REIBHVKIFATPAH-HSZRJFAPSA-N 431.532 5.842 10 1 IKCF C=C1CC[C@H](N=[N+]=[N-])C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O 148640861 XSCCVONAMAFUQP-DTOXIADCSA-N 425.661 8.052 10 1 IKCF Oc1ccc(C2=C[C@]3(NCCc4c(Cl)cc(Cl)cc43)c3c(O)cccc3O2)cc1 963105474 JUNQOSMPOGZWLU-HSZRJFAPSA-N 426.299 5.227 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccccc3OCc3cscn3)[nH]c21 587029260 MJVAOVQOFPTBMA-UHFFFAOYSA-N 437.480 5.041 10 1 IKCF CC(C)(C)c1ccc(O)c([C@@]2(C)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962952395 HLMJEYYRCIMEEG-QHCPKHFHSA-N 433.514 5.623 10 1 IKCF COc1ccc(/N=N/c2ccc(OCCc3ccc(OC(C)(C)C(=O)O)cc3)cc2)cc1 1857620890 ZDSBAQWGOKEOKX-CYYJNZCTSA-N 434.492 5.974 10 1 IKCF CC(=O)N(C1=NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S1)c1ccccc1 95615586 RZFIAJJLMRMIBB-HAHDFKILSA-N 429.545 5.426 10 1 IKCF CCC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncc2)cc1 113627643 SSKABHQYNDEKOL-UHFFFAOYSA-N 442.968 5.454 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4cc(F)ccc4-n4cnc5ccccc54)[nH]c3c2)cc1 587159934 YWNZSPIIEFTXFH-UHFFFAOYSA-N 435.462 6.082 10 1 IKCF C[C@@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587340200 VJAOGQAXOJNHCG-UPVQGACJSA-N 446.438 5.054 10 1 IKCF C[C@@]1(c2cccc(NC(=O)CN=[N+]=[N-])c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587340203 VJAOGQAXOJNHCG-VWNXMTODSA-N 446.438 5.054 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 587724601 KCGQBKOJBPVSJL-JLCFBVMHSA-N 435.356 5.515 10 1 IKCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@]32N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587767831 JWHLDCIIGZEXFM-LDMYIKCASA-N 445.376 5.015 10 1 IKCF COP(=O)(Nc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1)OC 26004348 FMPFXPZSYKJEBC-UHFFFAOYSA-N 438.380 5.853 10 1 IKCF COc1ccc([C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587805420 DVSLWPLYXLOXDR-LFVRLGFBSA-N 442.328 5.129 10 1 IKCF CN(C)c1ccc([C@H](O)[C@@]2(c3ccccc3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587513293 RIWBMQXMWAKFLD-NSOVKSMOSA-N 427.544 5.226 10 1 IKCF Cc1cnc(SC[C@]2(c3cccs3)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535825 OOUHMFUANKRPJL-QFIPXVFZSA-N 427.616 6.045 10 1 IKCF Cc1cc2c(n1-c1cccc(-c3ccc(OCc4ccccc4)cc3)c1)CC(C)(C)CC2=O 587937469 LUBNWESAGDBEJO-UHFFFAOYSA-N 435.567 7.187 10 1 IKCF CCn1c(/C=C\C=C2\[C@@H]3C=CCc4cccc(c43)N2C)[n+](CC)c2nc3ccccc3nc21 38156210 GXPDPWYDMBKQED-FQEVSTJZSA-N 434.567 5.155 10 1 IKCF Cc1c(CNC2CCCC2)cc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 43079155 OLISMADMBSPGGN-UHFFFAOYSA-N 433.810 7.445 10 1 IKCF O=C(c1ccc(Oc2ccc(F)cc2)cc1)c1cc(Cc2ccc(F)cc2)c(O)c(O)c1O 84605266 PYBPSCYTGKBNJF-UHFFFAOYSA-N 448.421 5.696 10 1 IKCF COC(=O)c1ccc(-n2c(C)cc([C@H]3c4cc(OC)ccc4CCN3C(C)C)c2C)cc1 962088288 FUVSRNVIWNWCBU-SANMLTNESA-N 432.564 5.245 10 1 IKCF Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCN(c2ccccn2)CC1 45300899 OJNJFVOXUIQDPE-UHFFFAOYSA-N 445.954 5.055 10 1 IKCF CC(C)=CCCC(C)=CCc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O 2356391824 DMSHSZYADCTYHE-UHFFFAOYSA-N 438.476 5.223 10 1 IKCF CCc1cc(Cc2cc(Cc3cc(CC)c(O)c(CC)c3)c(N)nc2N)cc(CC)c1O 27300364 UWBVCIQZFFWUEC-UHFFFAOYSA-N 433.596 5.088 10 1 IKCF O=C(Nc1cccc(Cl)c1)[c-]1cc(/N=N/c2ccc([N+](=O)[O-])cc2Cl)ccc1=O 169688600 SAZDXMNXVINVFC-WCWDXBQESA-N 430.227 5.648 10 1 IKCF CC[C@@]1(c2cc(Cl)cc(Cl)c2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587691596 GXJMLJHFCVEVDC-YYSFKGJASA-N 433.148 5.788 10 1 IKCF Cc1ccc(NC(=O)Cc2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c(C)c1 587922184 LEUCUSCGVYCFFR-UHFFFAOYSA-N 433.552 6.155 10 1 IKCF N=C(NCC1CCCCC1)c1c(O)nsc1Nc1ccc(/N=N/c2ccccc2)cc1 101101202 MMLDRXNJUSNBSE-BYYHNAKLSA-N 434.569 6.503 10 1 IKCF C[C@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347750 UVTGCHARMWZIEK-AHKZPQOWSA-N 447.506 5.107 10 1 IKCF Oc1c(Cl)cc(Cl)cc1CN(Cc1ccc(F)cc1)C(=S)Nc1ccccc1 45337757 QSDHRATYXWRXIW-UHFFFAOYSA-N 435.351 6.237 10 1 IKCF CN(C)c1ccc([C@H]2C3=C(O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1 103921515 UEOSUPCCJSVPSX-MHZLTWQESA-N 437.543 6.223 10 1 IKCF CCc1cc(N(CC)CC)ccc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 28133582 WJVRDNKNCJMNLW-UHFFFAOYSA-N 446.378 6.618 10 1 IKCF Cc1ccc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(-c2nc3ccc(F)cc3s2)cc1 96933006 SGTTZGXIMMNFJU-UHFFFAOYSA-N 429.476 6.777 10 1 IKCF Oc1cccc(CCc2ccc(Oc3cc(CCc4cccc(O)c4)cc(O)c3O)cc2)c1 14649954 QFNWXQOYUAXUAF-UHFFFAOYSA-N 442.511 5.872 10 1 IKCF biogenic,in-vitro CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccc(F)cc2)c1O 28006303 ZPIGIVRLGJTVFP-UHFFFAOYSA-N 449.957 6.985 10 1 IKCF CCN(CC)c1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccco4)CC(O)=C32)cc1 104035942 QLFRXGMVCPLNMJ-WINIVTDRSA-N 427.548 6.755 10 1 IKCF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2cccc(F)c2)c(Br)c1 587637977 RVWASJDDKUGCLB-UHFFFAOYSA-N 440.268 6.110 10 1 IKCF O=C(O)CCc1ccc(-c2cccs2)n1CC1CCN(Cc2ccc(F)cc2)CC1 587945022 DMRNFTGHJYRHDU-UHFFFAOYSA-N 426.557 5.285 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1 587195366 IJQZNSPIKZRZDK-UHFFFAOYSA-N 443.514 6.808 10 1 IKCF Nc1ccc(Oc2ccc3nc([C@H](NC(=O)c4ccccc4)c4ccccc4)[nH]c3c2)cc1 587217693 DPXKJCKUVKOZIA-RUZDIDTESA-N 434.499 5.457 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)c(Br)cnc3[nH]1)[C@H]1CC=C[C@@H]21 587271275 ADGOOBSSOAOHJE-VBHSOAQHSA-N 440.301 5.072 10 1 IKCF Oc1ccc2c(c1)CCN(c1ccccc1)[C@@H]2c1ccc(N2CCN3CCCC[C@H]3C2)cc1 13607707 ZGHFWBDHZZKWSI-LITSAYRRSA-N 439.603 5.219 10 1 IKCF in-vivo O=S(=O)(Nc1cccc(Nc2c3ccccc3nc3ccccc23)c1)c1ccccc1 26842246 RIAUYKGERIOXAG-UHFFFAOYSA-N 425.513 5.932 10 1 IKCF Cc1cc(-c2csc(C(c3ccccc3)c3ccccc3)n2)c(C)n1-c1ccccc1F 587922685 SCDHODVPMXRAOU-UHFFFAOYSA-N 438.571 7.537 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(F)ccc2O)N1 587727632 BYFPHLUGJPCPHJ-DMZKTXOQSA-N 430.292 5.259 10 1 IKCF Nc1ccc(Oc2ccc3nc(/C(=C/c4ccc(F)cc4)c4cccs4)[nH]c3c2)cc1 587163905 NNENDQCDCXUYMY-KGENOOAVSA-N 427.504 6.727 10 1 IKCF Cc1cc(-c2csc([C@@H]3CN(Cc4ccccc4)CCO3)n2)c(C)n1-c1ccccc1F 587922649 RTGOLOHJZXCPKL-VWLOTQADSA-N 447.579 5.930 10 1 IKCF COc1ccc(Cl)c2c1CCN[C@H]2c1cccc(-c2ccccc2C(F)(F)F)c1O 963259507 RYOHJYOEULSTRK-NRFANRHFSA-N 433.857 5.975 10 1 IKCF Nc1ccc(Oc2ccc3[nH]c(-c4ccc(OCc5cccc(Cl)c5)cc4)nc3c2)cc1 587071501 NPEGLHUDQGPECH-UHFFFAOYSA-N 441.918 6.837 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)cc2)cc1 587195794 NJVJZAHPURGLAD-UHFFFAOYSA-N 440.551 5.544 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccccc3C(=O)OC)c1C)CC2=O 587469823 GKXWXQJQZWJPGZ-DEOSSOPVSA-N 433.504 5.245 10 1 IKCF Cc1cc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587679743 SAQRUXIAAJSQNM-MGNBDDOMSA-N 443.154 5.162 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c21 587951394 ZJTDOSXLHSQRRC-SAPNQHFASA-N 442.474 6.301 10 1 IKCF CC[C@@H]1CN(c2ccc([C@H]3c4ccc(O)cc4CCN3c3ccccc3)cc2)CCN1C 13607717 VPWBEIUMAJCDIT-LXFBAYGMSA-N 427.592 5.075 10 1 IKCF Nc1ccc(Oc2ccc3[nH]c(-c4n[nH]c5cc(OC(F)(F)F)ccc45)nc3c2)cc1 587127002 KDJDEMOJVNAKQT-UHFFFAOYSA-N 425.370 5.379 10 1 IKCF CC[C@@]1(c2cc(Br)ccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587676851 GGTZHRLABBHENU-XTZNXHDOSA-N 443.154 5.244 10 1 IKCF COc1cc2c(c(O)c1CC=C(C)CCC=C(C)C)CN(CCc1ccc(O)cc1)C2=O 2356334376 FLSSXXIBSVDSKS-UHFFFAOYSA-N 435.564 5.540 10 1 IKCF O=C(COc1ccccc1)N[C@@H](c1ccccc1F)c1cc(Cl)c2cccnc2c1O 40933285 HQJSTRJMOYWSMG-QFIPXVFZSA-N 436.870 5.018 10 1 IKCF Nc1ccc(Oc2ccc3nc(CCn4ncc5cc(Br)ccc54)[nH]c3c2)cc1 587000972 BEACMOLEMKGVKB-UHFFFAOYSA-N 448.324 5.292 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(Br)c3[nH]1)[C@H]1CC=C[C@H]21 587276592 MWGNZDYKOOZSTD-LXIYXOSZSA-N 443.276 5.508 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cc3ccccc3)ccc2O)N1 587821678 JQHINUVIGXLADP-FATZIPQQSA-N 426.329 5.508 10 1 IKCF COc1cc(NP(=O)(OC)OC)ccc1Nc1c2ccccc2nc2c(C)cccc12 25998771 XGWFUMVIKUDPDW-UHFFFAOYSA-N 437.436 6.261 10 1 IKCF CS(=O)(=O)Nc1ccc(Nc2c3ccc(Cl)cc3nc3cc(Cl)ccc23)cc1 26847367 DTSSDCZMUXAHOV-UHFFFAOYSA-N 432.332 5.810 10 1 IKCF Cc1ccccc1-c1ccc(C(=O)N2N=C(c3cccnc3)C[C@H]2c2ccccc2O)s1 71340615 YVQIENVMTFVCQN-QFIPXVFZSA-N 439.540 5.816 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)[C@H]1CC=C[C@H]21 587277304 SLYOJULHLUYWJL-NWLBTCKQSA-N 448.486 5.702 10 1 IKCF CC[C@@]1(c2cc(Cl)cc(Cl)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587697017 VQKBUHSLNYDINR-NIVTXAMTSA-N 433.148 5.788 10 1 IKCF CCOc1cc(N2CCCC2)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587768276 TZMKSFQLPGLGJC-PEBXRYMYSA-N 433.365 5.211 10 1 IKCF O=C1C(=Cc2cccc(Cl)c2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 653767912 OLXJQYLCRDSKEX-UHFFFAOYSA-N 443.717 6.025 10 1 IKCF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2c2[nH]c3ccccc3c2C)cc1 28950915 MRSAMIOIFPIIMR-RUZDIDTESA-N 428.488 5.257 10 1 IKCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccc(Cl)cc12 29479419 IHFIDMWUKAEXKF-UHFFFAOYSA-N 426.929 5.198 10 1 IKCF CCN1CCN(c2ccc([C@@H]3c4ccc(O)cc4CCN3c3ccccc3)cc2)C[C@H]1C 253637713 CQMHXNWJGFZDKE-LYZGTLIUSA-N 427.592 5.075 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4cc(Cl)cc(Cl)c4Br)[nH]c3c2)cc1 586976525 VQWAIKOQZZCTRQ-UHFFFAOYSA-N 449.135 6.674 10 1 IKCF O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cc(Cl)cc(Br)c1 587941010 OVWDWDHXGUEWCJ-UHFFFAOYSA-N 439.136 6.231 10 1 IKCF O=C1c2ccccc2C(=O)N1CCCCCCCNc1c2ccccc2nc2ccccc12 14946323 QMCZMUBYGSLVEH-UHFFFAOYSA-N 437.543 6.047 10 1 IKCF COc1ccc([C@@H]2CC(c3ccc(O)c(C)c3)=NN2C(=S)Nc2ccccc2OC)cc1 28653322 WGRFYZYGYGIFRM-QFIPXVFZSA-N 447.560 5.266 10 1 IKCF Clc1ccc(CCNCCCOc2ccc3c(c2)CCCN3Cc2ccccc2)cc1 45498044 ZSQBHTFDFYQRTO-UHFFFAOYSA-N 435.011 5.894 10 1 IKCF COc1ccc(Nc2c(-c3ccc(F)c(F)c3)c(C)nn2-c2ccccc2C)c(C(=O)O)c1 64548326 FFLYKJNMOJIBTO-UHFFFAOYSA-N 449.457 5.885 10 1 IKCF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1 586881752 YAPKNPWSVQCIGD-UHFFFAOYSA-N 435.483 6.278 10 1 IKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(Cl)cc(Br)c3[nH]1)N2 587078248 MFLOECOPDJPVJM-JKDFXYPNSA-N 435.152 6.459 10 1 IKCF Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(N(C)C)cc2)C1 8624085 QXBXWAOOKNNJCF-ILBGXUMGSA-N 442.651 6.055 10 1 IKCF biogenic O=C1c2ccccc2-c2cc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@@H](C(=O)O)N4)nc3cccc1c23 587106673 MURGXLPNHCBWMU-LGGJOLOLSA-N 444.490 5.652 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3cc(C(F)(F)F)ccc3Cl)c1C)O2 587382610 QPHGEEHMZIEPSR-NRFANRHFSA-N 448.872 6.363 10 1 IKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(C2CCCCC2)c1O 28010266 FYJNURZTCHFWIY-UHFFFAOYSA-N 438.015 7.227 10 1 IKCF CCN(CC)c1ccc(CN(C(=O)Cc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 95583561 QRSVPKVXMPRRCG-UHFFFAOYSA-N 441.402 6.616 10 1 IKCF O=C(c1ccccc1)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587078182 KELBAPCBTMNBLQ-GLDPYIMESA-N 425.919 6.274 10 1 IKCF COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5CCc6c(ccc(O)c6O)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O 587450577 MXISNIZXWURFHT-LJZMJNQUSA-N 446.543 5.149 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc5cccnc45)n3)c2C)c1 587924066 BXCMDOVHBTXGBD-UHFFFAOYSA-N 427.598 7.155 10 1 IKCF O=S(=O)(Nc1ccccc1F)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2 16426215 HEQWCUKWRYJVJE-GLDPYIMESA-N 438.499 5.592 10 1 IKCF O=S(=O)(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cccc(Cl)c1 103299504 LJXSUZPOULWQPQ-UHFFFAOYSA-N 426.950 5.931 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4cccc(NC(=O)c5ccc(F)cc5)c4)[nH]c3c2)cc1 587163167 LMZSWBOFSPZQAO-UHFFFAOYSA-N 438.462 5.996 10 1 IKCF COc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587753319 UZZVMADAKUFXCX-ZLOXQWCVSA-N 443.360 5.628 10 1 IKCF O=C1/C(=C/c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1nc2ccccc2s1 6020192 LYGGGFCNCRTUEY-JXAWBTAJSA-N 426.457 5.039 10 1 IKCF Cc1cccnc1-n1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587580722 ZEPXMZUXAHCRND-RDGATRHJSA-N 426.472 5.206 10 1 IKCF Cc1ccc(-c2cc3c(n2-c2cccc(C4=NC(C)(C)CO4)c2)CC(C)(C)CC3=O)cc1 587934999 KXQCWVZWEGRBHG-UHFFFAOYSA-N 426.560 6.163 10 1 IKCF CCCSc1ccc2[nH]c(N3C(=O)/C(=C/c4ccccc4)N=C3c3ccccc3)cc2c1 6040770 ALTSAPVIDQNIQK-JLPGSUDCSA-N 437.568 6.505 10 1 IKCF COc1ccc(N(Cc2ccc(Br)cc2)Cc2ccc(OC)c(O)c2)cc1 103284403 XWTFLVKOBSKLKR-UHFFFAOYSA-N 428.326 5.379 10 1 IKCF COc1cc2c3c(c1)O[C@@](C)(c1c(C)[nH]c(N=Nc4cccc(C(=O)O)c4)c1C)[C@@H](C2)C3=O 587436853 BKARWQJYFLWPEH-AVRWGWEMSA-N 445.475 5.417 10 1 IKCF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Cl)c1 587698114 HVHUSSNOMBOCCG-AMXDTQDGSA-N 447.779 6.273 10 1 IKCF Cc1ccc(C)n1-c1ccc([C@]2(C)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962663143 JIMIHTMGAOLOIQ-VSGBNLITSA-N 439.559 5.004 10 1 IKCF COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@@H](CNCc4ccccc4O)C=C3C)[nH]c2c1 2356286720 NEKFVUNFQVQGOG-XJUOHMSHSA-N 433.596 5.464 10 1 IKCF CC[n+]1c(/C=C/C=C2/N(C)c3ccccc3C2(C)C)n(-c2ccccc2)c2ccc(C)cc21 1920797 XOQPOBDUFFOIJC-UHFFFAOYSA-N 434.607 6.571 10 1 IKCF O=C1NC(=S)S/C1=C\N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(F)cc1 299827547 GITXQDJZTRWDDZ-TUNPGAEXSA-N 433.533 5.119 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H]4CC[C@@H]5C(=O)C(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 587409797 WPBFBAKHQNCTLI-YSWFKHAYSA-N 449.591 5.072 10 1 IKCF Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587945112 JJLJJTZMXVRJBF-HSZRJFAPSA-N 437.536 5.821 10 1 IKCF CC(C)=CCc1c(O)cc(O)c2c(=O)c3c(oc12)-c1cc(O)c(O)cc1O[C@H]3C=C(C)C 13429506 HEXPWLIZWQZUCB-FQEVSTJZSA-N 436.460 5.191 10 1 IKCF biogenic CN(CCCC(C)(C)N=[N+]=[N-])[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40785957 MCTPUCATBKPDNG-DRKCKIEBSA-N 428.665 6.480 10 1 IKCF Cc1cccc(C)c1-c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2N)cn1 223776797 XOUZWUPKFPRGSF-CYYJNZCTSA-N 432.505 5.763 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 587276595 MWGNZDYKOOZSTD-VFVRVIDISA-N 443.276 5.508 10 1 IKCF COc1ccccc1-n1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587751742 OIAQQJWPHZODQI-JCQPUDPBSA-N 443.360 5.628 10 1 IKCF Oc1cc2ccc1-c1c(O)cccc1CCc1ccc(cc1)Oc1cc(cc(O)c1O)CC2 653882852 IODGCJOHBKZXSG-UHFFFAOYSA-N 440.495 5.852 10 1 IKCF O=C(Nc1cccc2cnccc12)N[C@@H](c1ccccc1)c1ccc(N2CCCCC2)cc1 14973654 BXBVGLSLEQRLIT-MHZLTWQESA-N 436.559 6.136 10 1 IKCF C[N+](C)(C)CCCCCCCCOc1c(-c2ccc(O)c(O)c2)oc2ccccc2c1=O 27209512 OMOSUTPWJFAGHL-UHFFFAOYSA-O 440.560 5.297 10 1 IKCF CCCCn1c(O)c(N=NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c2ccccc21 299812996 LWUZPXVCSXPWJE-UHFFFAOYSA-N 443.429 5.826 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4cn(C5CC5)c5cc(F)c(F)cc5c4=O)[nH]c3c2)cc1 587173633 YYWKZSIFGAUWBO-UHFFFAOYSA-N 444.441 5.532 10 1 IKCF CC[C@]1(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC(=O)c2ccccc2C1 587961704 SVEDEZFULDUDOY-MUUNZHRXSA-N 434.495 5.106 10 1 IKCF Oc1ccc(OC(F)(F)F)cc1[C@@H]1c2ccccc2C[C@@H]2CN(c3ccccc3)CCN12 962642975 VQNMEUCMWWHTRN-DVECYGJZSA-N 440.465 5.127 10 1 IKCF O=C(COc1ccccc1)N[C@H](c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O 40933876 INSYBMPTFWPKLG-JOCHJYFZSA-N 436.870 5.018 10 1 IKCF Oc1ccc2ccccc2c1[C@@H](Nc1nc2ccccc2s1)c1ccc2ccccc2c1 169351634 RKDBCEWCJNSEES-MHZLTWQESA-N 432.548 7.510 10 1 IKCF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)c1cc(O)c(O)c(O)c1 473135533 JGWXODIJPNEDQK-MSLLRLGPSA-N 437.580 5.367 10 1 IKCF Cc1cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c(C)n1-c1ccccc1 587660579 HHFBOOFXEWUIHO-UHFFFAOYSA-N 437.474 5.299 10 1 IKCF O=C1NC(=S)S/C1=C\c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 13586993 XVYLEONEMYQIGD-XKZIYDEJSA-N 433.554 5.333 10 1 IKCF Cc1ccc(-c2nc(-c3cc(C)n(-c4ccccc4F)c3C)cs2)c(Br)c1 587921818 AOGSPILINLRPIT-UHFFFAOYSA-N 441.369 7.095 10 1 IKCF COc1ccc(-c2csc(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccccc3O)n2)cc1 1857572653 CINHWIQNTCXLHW-QHCPKHFHSA-N 445.519 6.019 10 1 IKCF CCOc1cc(N(CC)CC)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587741234 MKHBRPXZHMBPCV-FPTDNZKUSA-N 435.381 5.457 10 1 IKCF CCOc1cc(N2CCCC2)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587768274 TZMKSFQLPGLGJC-JLCFBVMHSA-N 433.365 5.211 10 1 IKCF CC1CCN(c2ccc([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)cc2)CC1 587769275 ODIQHUBBVDNDRG-HJPURHCSSA-N 431.393 5.622 10 1 IKCF OCCC[C@H]1CC[C@@]2(CC(c3cc(O)c(O)c4c(O)cccc34)=Cc3cc(O)c(O)cc32)C1 2356368057 LOMAVZWOPVEFOI-QZXCRCNTSA-N 448.515 5.123 10 1 IKCF Oc1ccc(CN(Cc2cccc(Br)c2O)C(=S)Nc2ccccc2)cc1 45390916 SOXYLYNQTNNXEV-UHFFFAOYSA-N 443.366 5.260 10 1 IKCF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12c1ccccc1CSc1ccccc12 587619952 WDSSOKJLLLCJRZ-SQHAQQRYSA-N 438.504 5.903 10 1 IKCF CC[C@@]1(c2ccc(Cl)c(Cl)c2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587691231 ACDCGFWNFMLRKK-LZVRBXCZSA-N 433.148 5.788 10 1 IKCF CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(Br)ccc23)cc1 26003814 UTJTTYAOWDXHNW-UHFFFAOYSA-N 442.338 5.266 10 1 IKCF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 586972612 IZMWJXBAFFJFRS-QHCPKHFHSA-N 432.549 5.048 10 1 IKCF Oc1c(-c2cc3nc4cc(Cl)c(Cl)cc4nc3c3ccccc23)ccc2ccccc12 72110346 UZUWCRLWLMODHC-UHFFFAOYSA-N 441.317 7.769 10 1 IKCF CN1c2ccccc2CN2CCc3c(n(C(=O)c4ccc(Cl)cc4)c4ccccc34)[C@@H]21 95554754 SFRZJNUGVQYYJF-RUZDIDTESA-N 427.935 5.490 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 587756611 RJDBRDMABJNVIC-FYSMJZIKSA-N 439.372 5.480 10 1 IKCF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(=O)c1cccc(C)c1)c1ccc(C)cc1O 963244985 ZDPJMCXUCOMTHF-MNNSJKJDSA-N 427.588 6.182 10 1 IKCF Cc1c(Br)cnc2nc(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)[nH]c12 587196560 VVBSTNSIOUUQDP-UHFFFAOYSA-N 435.329 6.177 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)CC2=O 587465312 HEVLKGDZGSHKRD-HSZRJFAPSA-N 441.474 6.060 10 1 IKCF O=C(CSc1nc2ccccc2o1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 103961961 BIYNRXXPWPKGSD-QURGRASLSA-N 431.271 5.180 10 1 IKCF C[C@@H](/N=N/c1nc2ccc(F)cc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 169730156 IQOQEDPBIAWATL-IIVKIZHKSA-N 429.860 6.892 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(SC(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587275750 GFYDXFUQAIGDPZ-LPMFXHHGSA-N 446.454 6.218 10 1 IKCF C[C@@H]1[C@H](c2ccc(O)c([C@H](C)Cc3ccc(O)cc3)c2)O[C@H](c2ccc(O)c(O)c2)[C@@H]1C 2356400869 MGYKBHUJUVNFML-JDHKAQCWSA-N 434.532 5.940 10 1 IKCF CCCCCNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 53174614 XHDDPFNYSDIIMI-UHFFFAOYSA-N 448.592 6.105 10 1 IKCF CN(C)c1ccc([C@H](Nc2nc3ccccc3s2)c2c(O)ccc3ccccc23)cc1 169351606 CEKDOJDBDRQQAF-VWLOTQADSA-N 425.557 6.423 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccc(N(C)C)cc2)N1 587759010 ZSDPHFWSIHODAH-VOIUYBSRSA-N 439.372 5.480 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCc2ccccc2)(c2ccccc2O)N1 587830591 DRHMQEPJAOSVGF-VOIUYBSRSA-N 440.356 5.704 10 1 IKCF CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)cc(C(C)(C)C)c1O 28003409 DEDONUCBHGBCRF-UHFFFAOYSA-N 427.976 5.715 10 1 IKCF COc1cccc2c(NCc3ccc(C(=O)Nc4ccccc4)cc3)c3ccccc3nc12 1857535758 GWCMCGYYAYQVEK-UHFFFAOYSA-N 433.511 6.261 10 1 IKCF CCC(=O)Nc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(-n3ccnc3)cc2)c(C)c1 84614482 RGNQSMXFIKDBOM-UHFFFAOYSA-N 442.519 5.004 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 587709604 BJXXZKUCWLAXQU-YPMLDQLKSA-N 431.271 5.297 10 1 IKCF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc2n1CC(C)C 587756909 SVIQXJIQKAKKOK-FATZIPQQSA-N 429.377 6.131 10 1 IKCF CCCCCCc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587823142 SQXVNERILDFHKY-CMJOXMDJSA-N 434.393 6.214 10 1 IKCF CCN1/C(=C/C=C2\C[C@@H](C)[n+]3c2n(CC)c2cc4ccccc4cc23)Sc2ccccc21 13452987 VMQXKYBYXABWMH-LJQANCHMSA-N 438.620 6.924 10 1 IKCF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 587159338 YXKUYIAHCRSMAF-UHFFFAOYSA-N 446.437 5.624 10 1 IKCF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)c1ccccc1-n1c(C)ccc1C 587868988 ZJKIYRITHKWODA-UHFFFAOYSA-N 440.425 5.069 10 1 IKCF Cc1cc(-c2csc(-c3ccc(OCCN(C)C)cc3)n2)c(C)n1-c1ccccc1F 587922218 LKULWCOLNGZCEZ-UHFFFAOYSA-N 435.568 5.964 10 1 IKCF CCCOc1ccc(-c2nc(-c3cc(C)n(-c4cccc(SC)c4)c3C)cs2)cc1 587924264 PBESCNJOJVUHHJ-UHFFFAOYSA-N 434.630 7.395 10 1 IKCF CC(=O)Oc1c(C)c(-c2ccccc2)c(C)c(-c2ccccc2)c1C(=S)c1ccccc1 1619763 ANLRMKXCSBVPGW-UHFFFAOYSA-N 436.576 7.329 10 1 IKCF Nc1ccc(CN2C(=O)[C@H](Cc3ccccc3)N=C(c3ccccc3)c3ccccc32)cc1 66075760 TTYDRONMYXXZIN-SANMLTNESA-N 431.539 5.264 10 1 IKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 587569306 HLGUIIZSNTWSRM-BVAGGSTKSA-N 429.447 5.642 10 1 IKCF Cc1cccnc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587748939 BWPQMLZBYWIRME-ZSEKCTLFSA-N 428.349 5.323 10 1 IKCF COc1ccccc1-n1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587751743 OIAQQJWPHZODQI-NPMABZOXSA-N 443.360 5.628 10 1 IKCF O=C1c2ccccc2-c2cc(-c3ccc(O)c(CN4CCCCCC4)c3)nc3cccc1c23 587107331 QQAVCTYOSJKPFA-UHFFFAOYSA-N 434.539 6.195 10 1 IKCF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1 587353213 MNHMHFCZMIGPGS-AHKZPQOWSA-N 442.442 5.245 10 1 IKCF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccc(F)cc2)[nH]n1 617960110 QPBKBQPYOYVTBU-UHFFFAOYSA-N 428.221 5.089 10 1 IKCF Oc1c(Cl)ccc(Cl)c1[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962946874 BJCBOYTYTVMIDS-KRWDZBQOSA-N 432.269 5.459 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccc(O)cc1)CCC2(C)C 84703653 BVYIZPMNSSFWOV-LJQANCHMSA-N 444.483 5.238 10 1 IKCF Cc1cc(C)cc(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)c1 223770587 IFOVDDWHRKNWBI-CYYJNZCTSA-N 432.505 5.763 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1cc(C)n(-c3ccc(NC(C)=O)cc3)c1C)CC2=O 587472268 ZORCJIZAIUFGND-VWLOTQADSA-N 432.520 5.417 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cc(Br)c2O)N1 587679070 QADJUCZWGIXYBG-ZIDLFYJRSA-N 449.545 5.333 10 1 IKCF CCCCCCc1ccc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587823144 SQXVNERILDFHKY-IQMFZBJNSA-N 434.393 6.214 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c21 587111722 HGGZLDMLAOEWGW-UHFFFAOYSA-N 443.384 5.572 10 1 IKCF Oc1c([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cccc1C(F)(F)F 962949221 DPALFOFFPGJTCH-KRWDZBQOSA-N 431.376 5.171 10 1 IKCF CCCN(CC1CC1)Cn1c(O)c(/N=N/C(=N)S)c2cc(C)c(Br)cc21 28472458 CZFRFXSGCVDTKB-QURGRASLSA-N 438.395 5.446 10 1 IKCF O=C1C(=C/C=C/c2ccccc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 209096649 AUJVDJRSSUEEKV-QPJJXVBHSA-N 435.310 5.928 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3coc(-c4ccccc4Cl)n3)[nH]c21 587061342 VTZHHCMNFDQBAL-UHFFFAOYSA-N 425.831 5.314 10 1 IKCF Cc1cc(Br)cc2[nH]c(-c3ccc(N=Nc4ccc(N(C)C)cc4)cc3)nc12 587195751 LYKPKCCDALSTBG-UHFFFAOYSA-N 434.341 6.782 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(N3CCCCC3)c(F)c2)N1 587726170 VRKYAEHJOPBTHD-FPTDNZKUSA-N 435.356 5.515 10 1 IKCF C[C@H](/N=N/c1nc2c(F)cccc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 169730155 SYPFEVNUSWHJPZ-ATUOHFMOSA-N 429.860 6.892 10 1 IKCF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587192570 VRYJBTYICOWIND-HSZRJFAPSA-N 444.535 5.894 10 1 IKCF O=C(C(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1)c1ccccc1 587206249 LDMJVVDHSIOCKS-UHFFFAOYSA-N 439.470 6.179 10 1 IKCF COc1cccc(-c2c3c(nc4c2oc2ccccc24)-c2c(c4ccccc4n2C)CC3)c1 587363932 XDPALBGRRHFRQB-UHFFFAOYSA-N 430.507 6.914 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(Br)cc3)c1C)O2 587370099 BRCMQQXQMGKLRN-OAQYLSRUSA-N 425.326 5.454 10 1 IKCF Cn1c2ccccc2c2cc(/C=C3\SC(=S)N(c4ccc(C(=O)O)cc4)C3=O)ccc21 1857546706 JARGWYFGVKZVTR-BKUYFWCQSA-N 444.537 5.436 10 1 IKCF Cc1cc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587679750 SAQRUXIAAJSQNM-YPMLDQLKSA-N 443.154 5.162 10 1 IKCF Cc1cccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587748602 AHDJGDANRADKJF-FATZIPQQSA-N 427.361 5.928 10 1 IKCF O=C1C(=Cc2ccc(F)cc2F)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 653767939 YHTCFQIUTXXMKQ-UHFFFAOYSA-N 445.252 5.650 10 1 IKCF Oc1c([C@@H](Nc2ccc(Cl)cn2)c2ccc(Cl)c(Cl)c2)ccc2cccnc12 202354364 VFGQAVMHLLILFS-IBGZPJMESA-N 430.722 6.497 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)cc2Cl)N1 587694590 MHSLVGYSEXTNKC-YEJXKQKISA-N 437.784 5.856 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2O)N1 587704848 WSFVGFGBWXXMRJ-XMHCIUCPSA-N 446.747 5.773 10 1 IKCF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccccc1F 587727644 ORIXYMHZKROUIA-YTEVENLXSA-N 431.324 5.758 10 1 IKCF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OCC(=O)O)cc1 587512210 LZCNHJIOCCNRAY-RUZDIDTESA-N 445.515 5.143 10 1 IKCF CCOc1cc(N(CC)CC)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587743177 WGUUPAURFCKKLP-PEBXRYMYSA-N 435.381 5.457 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(OCc3ccccc3)ccc2O)N1 587811237 VYIUVEBGPALVIE-QKFKETGDSA-N 442.328 5.496 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4cc(I)ccc4F)[nH]c3c2)cc1 587183169 VBCRXSFVXAQRBO-UHFFFAOYSA-N 445.235 5.348 10 1 IKCF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587192571 VRYJBTYICOWIND-QHCPKHFHSA-N 444.535 5.894 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)[C@@H]1CC=C[C@@H]21 587272590 VROAVIUOHYXHSN-VFVRVIDISA-N 448.832 6.278 10 1 IKCF Cc1cc([C@H]2c3ccsc3CCN2Cc2ccco2)c(C)n1-c1ccc(C(C)(C)C)cc1 962708561 JCLMUSYKUZBJIR-HHHXNRCGSA-N 444.644 7.194 10 1 IKCF O=C1C(CCc2ccccc2)C(=O)N(c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 28521517 PDCMPQONIUTMIY-UHFFFAOYSA-N 425.315 5.537 10 1 IKCF Oc1ccc(CC/C=C/c2nc3cccc4c3c(c2Cc2ccc(O)c(O)c2)CC4)cc1O 587215863 OMUCBCQWPTXVFM-QHHAFSJGSA-N 439.511 5.393 10 1 IKCF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2cc3cnccc3c(Br)n2)s1 587940760 MPPHFBZFSCYQNP-UHFFFAOYSA-N 442.338 5.237 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c1C)O2 587381114 GALKEUZQQVAAPN-OAQYLSRUSA-N 448.872 6.363 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c(C)c1 587574444 AXAJIKIPOWAIDG-NAKRPHOHSA-N 439.511 6.119 10 1 IKCF CCOc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1N1CCCC1 587763841 AGWMMTKJCNUDOB-PEBXRYMYSA-N 433.365 5.211 10 1 IKCF COC(=O)[C@H](C)c1ccc(-c2ccc(NCc3cccc(CN(C)C)c3O)cc2)c(F)c1 1911572191 PYSAPRKFGBURPZ-QGZVFWFLSA-N 436.527 5.149 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4cccnc4c4ncccc4c3[nH]1)[C@@H]1CC=C[C@H]21 587277306 SLYOJULHLUYWJL-RVFQGNMQSA-N 448.486 5.702 10 1 IKCF Cc1ccnc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587749791 GCJBWQGXULNUQQ-MCMMXHMISA-N 428.349 5.323 10 1 IKCF Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(Oc3ccc(F)cc3)c(F)c2)s1 587944407 DVSBBJUGKVYKKP-UHFFFAOYSA-N 439.483 6.602 10 1 IKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cc(Br)cc(Cl)c3[nH]1)N2 587078674 ZAXMJWYWPQAXIU-JKDFXYPNSA-N 435.152 6.459 10 1 IKCF [N-]=[N+]=NCCCCCCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587260244 OFVVFAPUPINFSQ-UHFFFAOYSA-N 430.434 6.247 10 1 IKCF CN(C)c1ccc(-c2[nH]c3cc(Cl)ccc3c2[C@@H](C[N+](=O)[O-])c2cccs2)cc1 1857549100 RUXJRJZJZPSTHZ-SFHVURJKSA-N 425.941 6.024 10 1 IKCF CCN1C(=CC(C)=C[C@H]2Sc3ccc(Cl)cc3N2CC)Sc2ccc(Cl)cc21 2356849182 PTOMVHFIFKXZFB-OAQYLSRUSA-N 449.472 7.671 10 1 IKCF CCC[C@H](CC)c1c(O)c(O)c([C@H](CC)CCC)c([C@@H](CC)CCC)c1[C@H](CC)CCC 105516329 MERZOBJQFOCPRA-NVPYSNMXSA-N 446.760 10.273 10 1 IKCF O=C1c2ccccc2C(=O)c2c1cc(Sc1cc(Cl)ccc1Cl)c1nsnc21 473122390 RURLSLKGSSQQEI-UHFFFAOYSA-N 443.336 5.925 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)c(Br)c2)N1 587681453 XGIYMASYBXKPHZ-XTZNXHDOSA-N 442.170 5.040 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 587737158 WTFLWBKBLYXMJF-IPQOISQHSA-N 430.292 5.724 10 1 IKCF COc1ccc(-c2ccc(O)c([C@@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2)cc1 587806353 IAPGUHYHAKKDFA-NPMABZOXSA-N 442.328 5.593 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)cc2C(F)(F)F)N1 587709602 BJXXZKUCWLAXQU-XTZNXHDOSA-N 431.271 5.297 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 587734443 NNSGEAIUFSPZCA-AMXDTQDGSA-N 430.292 5.724 10 1 IKCF Nc1nn2c(-c3ccccc3)cc(-c3ccccc3)nc2c1N=Nc1ccc2c(c1)OCO2 958003416 LOBDVAHSNQJQPS-UHFFFAOYSA-N 434.459 5.790 10 1 IKCF CN1c2ccccc2C(=O)N2CCc3c(n(C(=O)c4ccccc4Cl)c4ccccc34)[C@H]21 64448028 AOXYRDCHANSRMV-DEOSSOPVSA-N 441.918 5.130 10 1 IKCF COc1ccc(C=C2C(=O)N(c3ccc(Cl)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 653777876 NTJAROHPOJMJQD-UHFFFAOYSA-N 439.298 5.380 10 1 IKCF COc1ccc([C@@H](Nc2nc3ccccc3s2)c2c(O)ccc3ccccc23)c(OC)c1 169351653 NMCJCYQUSSOXQR-RUZDIDTESA-N 442.540 6.374 10 1 IKCF CN(C)c1ccc(N=Nc2ccc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)cc2)cc1 587195222 GZFSWTPFWNPNET-UHFFFAOYSA-N 425.414 6.610 10 1 IKCF CC[C@]1(c2ccc(Cl)c(Cl)c2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587698910 WBSLEYQWWQECOQ-NIVTXAMTSA-N 433.148 5.788 10 1 IKCF Oc1ccc2cc(Br)ccc2c1[C@H](c1cccc(Cl)c1)N1CCCCC1 653708505 RXMWDXZGMFSXOX-QFIPXVFZSA-N 430.773 6.537 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)c(Br)c2)N1 587676095 FHFDYCAISHSNSX-MGNBDDOMSA-N 442.170 5.040 10 1 IKCF COc1ccc2c(c1)[C@@H](c1ccc(N3CCSCC3)cc1)N(Cc1ccc(F)cc1)CC2 963304704 UXHMGAPWTPYVIE-HHHXNRCGSA-N 448.607 5.535 10 1 IKCF O=C(Nc1ccccc1)N(Cc1cc(Br)ccc1O)c1ccc(Cl)cc1 72177354 VPMARWUJXGNSKO-UHFFFAOYSA-N 431.717 6.047 10 1 IKCF O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cccc(-c2cccc(C(=O)O)n2)c1 587938281 TWWHYDVBRHVQDR-UHFFFAOYSA-N 446.890 5.575 10 1 IKCF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O 963640615 WUSJQCTYAQTMLH-IRZAOVJMSA-N 433.592 5.501 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 587734448 NNSGEAIUFSPZCA-IPQOISQHSA-N 430.292 5.724 10 1 IKCF COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(/N=N\c4ccc(F)cc4)c3F)cc12 1857558108 HUJIOXAQADLZLB-RQZHXJHFSA-N 426.358 5.052 10 1 IKCF CSc1nc(/C=C/c2ccc(N(C)C)c(O)c2)cc(/C=C/c2ccc(N(C)C)c(O)c2)n1 84689826 BBLIVFWXBMDWRN-JMQWPVDRSA-N 448.592 5.083 10 1 IKCF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1[nH]nc2c1CCc1ccccc1-2 100703072 QHGKHNOXCPKIGR-OCEACIFDSA-N 436.269 5.049 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc4c(c3)OCCO4)c1C)CC2=O 587471497 RVXTUFRMDZIBRA-XMMPIXPASA-N 433.504 5.230 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(Cc4nc5ccccc5n4C)n3)c2C)c1 587924177 KBHHDUHEHFKOAD-UHFFFAOYSA-N 444.629 6.417 10 1 IKCF CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H]12 587529380 AZCFXPXCSGMMHA-OYFGVDPJSA-N 446.587 6.325 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)N1 587747175 MUESIMWQHIHVKP-YEJXKQKISA-N 448.336 5.110 10 1 IKCF COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2c2ccc(Cl)cc2)cc1 96938906 DONQYHFHBSVNMI-DEOSSOPVSA-N 428.919 6.563 10 1 IKCF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 587699659 RHENMEUYSPMSDF-YTEVENLXSA-N 447.779 6.273 10 1 IKCF CC(C)(C)c1cc(O)c([C@@H]2N[C@@H](C(=O)O)Cc3c2cc(F)cc3C(F)(F)F)cc1Cl 962707812 YKEVRZHPXDCICC-SJLPKXTDSA-N 445.840 5.189 10 1 IKCF CC1(C)Oc2cc(C34C[C@H]5C[C@@H](CC(CN=[N+]=[N-])(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21 299862753 NVPHKWABHSTCKM-NEYOPQAZSA-N 437.584 5.956 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)[C@H]1CC=C[C@@H]21 587276531 LNLQTDGBSGEKPL-TYILLQQXSA-N 430.386 5.505 10 1 IKCF O=C(O)CCc1ccc(-c2ccccc2)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587946522 YNBBJVDILHDFSS-UHFFFAOYSA-N 441.502 6.582 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)c(Br)c2)N1 587681448 XGIYMASYBXKPHZ-MGNBDDOMSA-N 442.170 5.040 10 1 IKCF Oc1nc(NCc2ccccc2)c2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc-2[nH]1 587078300 NRJJGIVBEZADTH-FCEWJHQRSA-N 444.926 5.102 10 1 IKCF CCOC(=O)c1ccc(-n2c(C)cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1 587511231 FLRRLQQITLOXIH-SANMLTNESA-N 443.543 5.856 10 1 IKCF Cc1cccc(-n2c(C)cc([C@H]3N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587751452 MNNNBMMQXCXMKK-LFVRLGFBSA-N 427.361 5.928 10 1 IKCF CCCN1[C@@H](C)Cc2ccccc2[C@]12C=C(c1ccccc1)Oc1cc(O)c(OC)c(O)c12 963259035 QSIAGUYUIQOFRA-JMQGSBJISA-N 443.543 5.440 10 1 IKCF COc1ccc(C2=C(c3ccccc3)[C@@H]3C(=O)c4ccccc4C(=O)[C@]23OC)c2cccnc12 103151833 VDPZJLNKRVPVHQ-IRPSRAIASA-N 447.490 5.248 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 587734455 NNSGEAIUFSPZCA-YTEVENLXSA-N 430.292 5.724 10 1 IKCF COc1ccc(O)c([C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587805959 GXPALKRHVIDFPX-LFVRLGFBSA-N 442.328 5.129 10 1 IKCF CCCc1ccc(-c2cc(CN3CCSCC3)c(C)n2-c2ccc(SC)cc2)cc1 64448311 JEZDTZCBQWRUPC-UHFFFAOYSA-N 436.690 6.676 10 1 IKCF S=C(NNc1c2ccccc2nc2ccccc12)Nc1c2ccccc2nc2ccccc12 95579613 VQIATTQAOICZLJ-UHFFFAOYSA-N 445.551 6.403 10 1 IKCF CCCCC/C=C\CC[C@@H](O)CCCCCCCc1nc(-c2ccc(O)c(O)c2)n[nH]1 1857750384 LFMVQOXVYYQCJW-RFFSMVSESA-N 429.605 6.044 10 1 IKCF CCN(CC)Cc1cc(Nc2c3ccc(Cl)cc3nc3cccc(OC)c23)ccc1O 45322828 YQACLROGKNKFMN-UHFFFAOYSA-N 435.955 6.341 10 1 IKCF Cc1nc(-c2ccc(C(=O)N3N=C(c4cccnc4)C[C@@H]3c3ccccc3O)s2)cs1 71335176 ULBISZSIVFWUTD-LJQANCHMSA-N 446.557 5.272 10 1 IKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(F)c1 587569313 HLGUIIZSNTWSRM-OZXSUGGESA-N 429.447 5.642 10 1 IKCF CC[C@]1(c2cc(Br)ccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587676588 FNLIFZWIVSLKFH-MLCYQJTMSA-N 443.154 5.244 10 1 IKCF CC[C@]1(c2ccc(Br)cc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587677768 IWPSKGPDRSIDFH-MLCYQJTMSA-N 443.154 5.244 10 1 IKCF COC(=O)[C@@]1(Cc2ccccc2)N=C(c2ccccc2)O[C@H]1c1ccccc1CN=[N+]=[N-] 1857582093 VWYOKTCHVFTYLK-DHLKQENFSA-N 426.476 5.170 10 1 IKCF CN(C)c1ccc(CN2CCC(NC(=O)c3ccc(-c4cccc(F)c4)s3)CC2)cc1 45209881 AXMPNXVEWUASBL-UHFFFAOYSA-N 437.584 5.015 10 1 IKCF Nc1ccc(Oc2ccc3nc(COc4ccc(Cl)cc4Br)[nH]c3c2)cc1 586977978 UTEJYJBPCCAOBZ-UHFFFAOYSA-N 444.716 5.932 10 1 IKCF CC(=O)O[C@@H]1c2ccc(CN(C)C)n2-c2cc(Cl)ccc2S[C@@H]1c1ccccc1 13757075 HDBOSQCFXIVZDI-DHIUTWEWSA-N 426.969 5.644 10 1 IKCF COc1ccc(N2C[C@H]3CC[C@H]2C[C@@]32N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587767753 JGMKZVKGSFKLFM-VLBPEIEJSA-N 445.376 5.015 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCN(c3ccc4c(c3)CCC4)CC2)N1 587768199 LJCJJBQBAIOLHX-OAHLLOKOSA-N 429.377 5.107 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(F)ccc2O)N1 587727634 BYFPHLUGJPCPHJ-MCMMXHMISA-N 430.292 5.259 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(N3CCCCCC3)cc2)N1 587768710 VWYWLVXBHYSPTI-MWTRTKDXSA-N 431.393 5.766 10 1 IKCF O=C1[C@@H](c2ccccc2)Oc2cccc(O)c2[C@@]12c1ccsc1CCN2Cc1ccco1 962706242 LQRNAFYIDUFBEF-RSXGOPAZSA-N 443.524 5.051 10 1 IKCF Oc1ccc2cc1Oc1ccc(cc1)CCc1ccc(c(O)c1O)Oc1cccc(c1)CC2 14613073 IPOMWFZPWNPRIE-UHFFFAOYSA-N 440.495 6.272 10 1 IKCF biogenic COc1cc([C@@]2(Cc3ccccc3)NCCc3c(Cl)cc(Cl)cc32)c(O)cc1O 963126296 WRDNYPDRWOUQJQ-QHCPKHFHSA-N 430.331 5.045 10 1 IKCF COc1ccc(-c2c(C)nn(-c3ccccc3C)c2Nc2ccc(OC)cc2C(=O)O)cc1 64548344 AKFTWGIHLCFSSO-UHFFFAOYSA-N 443.503 5.615 10 1 IKCF CN1c2ccc(C3=CCCCC3)cc2[C@@H]2[C@@H](CCN2C(=O)Nc2ccccc2F)[C@@H]1CO 95877879 MMIBSAYCCULIKX-LQGLAIQGSA-N 435.543 5.189 10 1 IKCF Cc1cc(Cl)ccc1O[C@@H](C)C(=O)/N=N/c1c(O)[nH]c2ccc(Br)cc12 103973939 CEUYNANJDQHLCM-PPTIKLOKSA-N 436.693 5.676 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)[C@H]1CC=C[C@H]21 587272976 YDIOZQVSOOWWBO-ZKTNFTSUSA-N 448.832 6.278 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)n(-c3ccc(F)c(F)c3F)c1C)CC2=O 587466853 PETLIBAIDHMVHD-OAQYLSRUSA-N 429.438 5.876 10 1 IKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2cccnc2)c1O 28009499 INVSNUIOOQTKRO-UHFFFAOYSA-N 432.955 6.241 10 1 IKCF CC(C)(C)c1ccc(C(C)(C)C)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)c1 28951307 ADUIGXWIHRSFTE-UHFFFAOYSA-N 430.397 6.095 10 1 IKCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2c(Cl)cccc12 29466426 AGOQYSVMJNFXQA-UHFFFAOYSA-N 426.929 5.198 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)c1ccc(F)cc1)CCC2(C)C 84687584 GTPVRBLJFKYIAT-SFHVURJKSA-N 432.447 5.743 10 1 IKCF COc1ccc(O)c([C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587805957 GXPALKRHVIDFPX-FATZIPQQSA-N 442.328 5.129 10 1 IKCF CCO[C@@H](Cc1ccc(OCC=C2c3ccccc3CCc3ccccc32)cc1)C(=O)O 12358175 RMWUDDKYAKJOFW-MHZLTWQESA-N 428.528 5.328 10 1 IKCF CCc1c(CN2CCN(C)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 45255691 MUBGVUXFJWJFGJ-UHFFFAOYSA-N 428.407 5.761 10 1 IKCF Cc1cc(CN2CCN(C3C4CC5CC(C4)CC3C5)CC2)c(C)n1-c1ccc(Cl)cc1 653843502 LIWIJSPTYXSICR-UHFFFAOYSA-N 438.059 5.690 10 1 IKCF CC(C)=CCCC(C)=CC[C@]1(O)C(=O)c2cc(O)cc(O)c2C(=O)[C@@]1(Cl)CC=C(C)C 2356637016 DRVVWOVFACYRGZ-DQEYMECFSA-N 446.971 5.625 10 1 IKCF Cc1nc(COc2cccc(-c3nc4ccc(Oc5ccc(N)cc5)cc4[nH]3)c2)cs1 587020017 BYZFQCBJBVSIKC-UHFFFAOYSA-N 428.517 5.948 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C=C\c2ccccc2)(c2ccccc2O)N1 587834388 RTBRHWVJMIFQAS-ZKURJQIQSA-N 438.340 5.785 10 1 IKCF COc1cc(-c2ccc(O)c(O)c2)c(OC)c(O)c1-c1ccc(OCC=C(C)C)c(O)c1 1857555155 BAJXGZAFNOHQFY-UHFFFAOYSA-N 438.476 5.205 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ccc(Br)cc3)c1C)O2 587370098 BRCMQQXQMGKLRN-NRFANRHFSA-N 425.326 5.454 10 1 IKCF CSc1ccc(-c2ccc(C)n2C[C@H](c2cccc(Br)c2)N(C)C)cc1 587941920 YFCSLVQBOFFYPZ-JOCHJYFZSA-N 429.427 6.251 10 1 IKCF CC=C1CN2CCc3c([nH]c4ccccc34)[C@H]2C[C@H]1CC1=NCCc2c1n(C)c1ccccc21 2356720731 IAEJNNUOVAJFBH-PIIWDFAUSA-N 448.614 5.961 10 1 IKCF O=C(O)c1cccc2c(-c3ccnc4ccccc34)c(-c3ccc(C(F)(F)F)cc3)[nH]c12 587637392 ICYNIWDFFJFZKT-UHFFFAOYSA-N 432.401 6.767 10 1 IKCF O=C(NCc1ccc(N2C[C@H]3CCCC[C@@H]3C2)cc1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 1857762273 FWPOILGZDWMZJB-IAGOWNOFSA-N 447.457 5.170 10 1 IKCF C[C@]12Cc3cnn(-c4ccccc4)c3C=C1CC[C@@H]1OC3(CC=C12)C(=O)c1ccccc1C3=O 13651628 RKDAJYCNRUOWHQ-LSYYVWMOSA-N 448.522 5.145 10 1 IKCF COc1ccc(N(C)CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC 59298095 JSTDCLXPZLUQML-RUZDIDTESA-N 426.557 5.055 10 1 IKCF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587199066 YJQFALMXTPJWPW-UHFFFAOYSA-N 449.514 5.463 10 1 IKCF CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@H]12 587529381 AZCFXPXCSGMMHA-RFYMFKDESA-N 446.587 6.325 10 1 IKCF COc1cc2c(/C=C3/C(=O)Nc4ccc(F)cc43)c(Cl)n(Cc3ccccc3)c2cc1C 28655920 GGHWWBPESSSSBK-CIAFOILYSA-N 446.909 6.292 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)[C@H]1CC=C[C@H]21 587272588 VROAVIUOHYXHSN-LXIYXOSZSA-N 448.832 6.278 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCc2ccccc2)(c2ccccc2O)N1 587832887 LBTQHSUQJTUMMM-GYCJOSAFSA-N 440.356 5.704 10 1 IKCF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(=O)c1cccc(C)c1)c1ccc(C)cc1O 963245086 ZDPJMCXUCOMTHF-PZGXJGMVSA-N 427.588 6.182 10 1 IKCF CCN(Cc1ccccc1)c1ccc([C@H]2c3cccc(Br)c3CCN2C)cc1 963270608 QBTOYQSDHUXPTK-VWLOTQADSA-N 435.409 6.053 10 1 IKCF [N-]=[N+]=N[C@@H]1Cc2c(-c3ccccc3Cl)cccc2N(c2c(Cl)cccc2Cl)C1=O 43617321 XQUWPYNSULOTBE-GOSISDBHSA-N 443.721 7.214 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccc(O)cc1)CCC2(C)C 84703656 BVYIZPMNSSFWOV-IBGZPJMESA-N 444.483 5.238 10 1 IKCF COc1ccccc1-c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2N)cn1 223759816 WTXQJIYMCFZECJ-OCEACIFDSA-N 434.477 5.155 10 1 IKCF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)cc1F 587570368 WKFGGJSCYCYMRC-JYFHCDHNSA-N 447.437 5.781 10 1 IKCF Cc1cc(-c2csc(CCCNC(=O)OC(C)(C)C)n2)c(C)n1-c1ccccc1F 587921895 FGIZRWHVUFRBPP-UHFFFAOYSA-N 429.561 5.814 10 1 IKCF Oc1c([C@@H](Nc2nccs2)c2cccc(OCc3ccccc3)c2)ccc2cccnc12 139239838 PUCQVHMFWNUMDU-QHCPKHFHSA-N 439.540 6.177 10 1 IKCF CC(C)(C)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc(C(C)(C)C)c1 28951295 BTOMKRYJFROQMJ-UHFFFAOYSA-N 430.397 6.095 10 1 IKCF Cc1ccc([C@@H](Nc2nc3c(Cl)cccc3s2)c2c(O)ccc3ccccc23)cc1 169351674 UXKXIAREVFUBHX-HSZRJFAPSA-N 430.960 7.318 10 1 IKCF CN(C)c1ccc(/C=C/CN2CCc3cc(Cl)c(O)cc3[C@H](c3ccccc3)C2)cc1 1541363 WNLBCBQNLPTEAJ-NPJCXYKHSA-N 432.995 5.815 10 1 IKCF COc1ccc(C2(Cc3ccccc3)C(=O)c3ccccc3C2=O)cc1OC1CCCC1 1903043 QGANODRXZGAKQW-UHFFFAOYSA-N 426.512 5.576 10 1 IKCF CO[C@H]1O[C@H](COCc2ccc(Cl)cc2)[C@@H](OCc2ccc(Cl)cc2)[C@@H]1N=[N+]=[N-] 17192027 NBKQFQWEPBVLEY-WCIQWLHISA-N 438.311 5.146 10 1 IKCF C[n+]1c(-c2ccccc2)n(/N=N/n2c(-c3ccccc3)[n+](C)c3ccccc32)c2ccccc21 34778471 XOUJDLTZFRFGBV-QVIHXGFCSA-N 444.542 5.258 10 1 IKCF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587240705 IASIUTUVPFFACQ-UHFFFAOYSA-N 435.531 6.547 10 1 IKCF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OCC(=O)O)cc1 587512212 LZCNHJIOCCNRAY-VWLOTQADSA-N 445.515 5.143 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc4c(c3)CCC4)CC2)N1 587771104 VJIBMNSOONMRGL-HNNXBMFYSA-N 429.377 5.107 10 1 IKCF COc1ccc(-c2ccc(O)c([C@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2)cc1 587804325 AVGVZTNHXGGMPN-ZLOXQWCVSA-N 442.328 5.593 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4c(Cl)cccc4Cl)n3)c2C)c1 587924139 HSCPYPRNDJJDPD-UHFFFAOYSA-N 445.440 7.913 10 1 IKCF O=C(CSc1nc2ccccc2n1Cc1ccccc1)N=Nc1c(O)[nH]c2ccccc12 617960082 TUKFPIYXPIDTMW-UHFFFAOYSA-N 441.516 5.674 10 1 IKCF CC(C)=CCC/C(C)=C\Cc1c(O)c(O)c(O)c(C(=O)CCc2ccc(O)cc2)c1O 59774415 NMIIWAISRYUHLN-APSNUPSMSA-N 426.509 5.265 10 1 IKCF CCN(CC)c1ccc(CN(Cc2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1 95589282 VSOOECPINLTQAY-UHFFFAOYSA-N 428.623 5.294 10 1 IKCF CN(CCCC(C)(C)N=[N+]=[N-])[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 253634006 MCTPUCATBKPDNG-LKIHVOCSSA-N 428.665 6.480 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2O)N1 587694783 ADESQRUZPWMQCZ-WHEQGISXSA-N 446.747 5.773 10 1 IKCF CS[C@]12c3cc(C)n(-c4ccccc4)c3CC(C)(C)CN1C(=O)[C@H]2Oc1ccccc1 1862065 UWXXNCLSFKTBBZ-BVAGGSTKSA-N 432.589 5.174 10 1 IKCF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587163119 KUASFYUFYLHBIJ-UHFFFAOYSA-N 446.437 5.375 10 1 IKCF CN1CCN(c2ccc3[nH]c(-c4ccc(N=Nc5ccc(N(C)C)cc5)cc4)nc3c2)CC1 587196305 SHSSBFNBFNHRGJ-UHFFFAOYSA-N 439.567 5.463 10 1 IKCF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(F)c1 587735186 WWRZQJZNVCAYNG-YTEVENLXSA-N 431.324 5.758 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCN(c3ccc4c(c3)CCC4)CC2)N1 587771105 VJIBMNSOONMRGL-OAHLLOKOSA-N 429.377 5.107 10 1 IKCF CC[C@]12CCC[C@@]13CC(c1cc(O)c(O)c4c(O)cccc14)=Cc1cc(O)c(O)c(c13)CC2 2356357831 WCBHOXUQEIWNHJ-IZLXSDGUSA-N 444.527 6.076 10 1 IKCF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)Oc3c(O)c(O)c4nc(C(=O)O)ccc4c3C[C@@H]12 2356813502 CHLKINYAFCYULV-DXNGDERMSA-N 425.525 5.280 10 1 IKCF O=C(O)[C@@H]1CCCN(CCOCCc2cccc(/N=N/c3cccc4ccccc34)c2)C1 299825293 FNGCHACUJQEGMA-RBGJJZJSSA-N 431.536 5.611 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4nc(Br)sc4C4CC4)[nH]c3c2)cc1 587013525 ZWMTVAGLBPXOSP-UHFFFAOYSA-N 427.327 5.701 10 1 IKCF Cc1cccc(Cn2c(C)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc32)c1 587515380 LUCBQWUKYNYBSC-NDEPHWFRSA-N 435.567 6.892 10 1 IKCF Oc1c([C@@H](Nc2ccccc2)c2c(F)cc(Br)cc2F)ccc2cccnc12 653808108 LUQTVGMLTVPSCK-OAQYLSRUSA-N 441.275 6.183 10 1 IKCF [N-]=[N+]=NCCCCc1ccc(-c2ccc(-c3ccc(CCCCN=[N+]=[N-])s3)s2)s1 1772598826 HACAVAKIOQHHCX-UHFFFAOYSA-N 442.639 8.471 10 1 IKCF CCCCC(=O)N(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)S(C)(=O)=O 26935722 ITAQBFHDXPBFEE-UHFFFAOYSA-N 447.560 5.614 10 1 IKCF Cc1c(CN2CCSCC2)cc(-c2ccc(F)cc2)n1-c1ccc(C(F)(F)F)cc1 64447514 PDZVOKKMRJMLIN-UHFFFAOYSA-N 434.502 6.159 10 1 IKCF CC(=O)c1cccc(-c2ccc(/N=N/c3cc(S(=O)(=O)O)c4ccccc4c3N)cn2)c1 223774697 AGQDPQVAVIMQNF-CYYJNZCTSA-N 446.488 5.349 10 1 IKCF Cc1cccnc1-n1c(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587748937 BWPQMLZBYWIRME-LRTDBIEQSA-N 428.349 5.323 10 1 IKCF COc1ccc2c(c1)[C@H](NC(=O)Nc1cccc3[nH]ncc13)CCN2CC1CCCCC1 66078392 XFXAXIXVJKIEKT-JOCHJYFZSA-N 433.556 5.225 10 1 IKCF CN(C)c1ccc([C@@H](Nc2nc3ccccc3s2)c2c(O)ccc3ccccc23)cc1 169351605 CEKDOJDBDRQQAF-RUZDIDTESA-N 425.557 6.423 10 1 IKCF CCCc1c(O)ccc2c1O[C@@](CSc1ncc(C)s1)(c1cccs1)CC2=O 587493749 GNBLPELYEXOPGC-NRFANRHFSA-N 431.604 5.824 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4cccc(C(F)(F)F)c4)n3)c2C)c1 587924253 OLVUBLVLHRENCZ-UHFFFAOYSA-N 444.547 7.625 10 1 IKCF c1ccc(/N=N\c2ccc(N3CCN([C@H]4CC[C@@H](c5ccccc5)CC4)CC3)cn2)cc1 1857539020 BYPGRHCJNNWSTC-AGHMMSEVSA-N 425.580 6.345 10 1 IKCF CSc1ccc(-n2c(-c3ccc(C(C)C)cc3)cc(CN3CCSCC3)c2C)cc1 64437205 JVFIKVCNFPSQPM-UHFFFAOYSA-N 436.690 6.847 10 1 IKCF O=C(c1ccc(N=Nc2ccccc2)cc1)c1c(CO)oc2cc(Br)cnc12 587277111 ZZOKDMKIAJWMDP-UHFFFAOYSA-N 436.265 5.729 10 1 IKCF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(C)[nH]c(N=Nc3cccc(C(=O)O)c3)c1C)O2 587396027 ISDDXRQIRGCGEX-DEOSSOPVSA-N 432.480 5.516 10 1 IKCF CC(C)=CCC/C(C)=C/Cc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc(O)c1O 1661001 GJZKDVGLDGLPMB-ZVBRSKEYSA-N 448.603 7.423 10 1 IKCF CCCCCCN1/C(=C/C=C/c2oc3ccccc3[n+]2CCCCCC)Oc2ccccc21 2167083 GKLGUKVTTNJEBK-UHFFFAOYSA-N 445.627 7.635 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@H](OC(=O)Cc1ccccc1)CCC2(C)C 84687585 PQNJMNOQXBOYKI-LJQANCHMSA-N 428.484 5.532 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cccc(-c4ccccc4CO)c3)[nH]c21 586895182 SPSQIZKSLQMRIB-UHFFFAOYSA-N 430.463 5.165 10 1 IKCF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](O)c1ccc(N(C)C)cc1)CC2=O 587469933 QLIHQTCUYSCRCJ-RRPNLBNLSA-N 431.532 5.005 10 1 IKCF CCCc1c(O)ccc2c1O[C@@H](c1c(C)n(Cc3cccc(C)c3)c3ccccc13)CC2=O 587468827 BIJKUFYZNAYAOX-HHHXNRCGSA-N 439.555 6.671 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(-c3ccc(F)cc3)ccc2O)N1 587734452 NNSGEAIUFSPZCA-VERVWZFWSA-N 430.292 5.724 10 1 IKCF CCCCc1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)c(Br)c1 587935214 CSWROSXKCQOKIY-UHFFFAOYSA-N 426.354 6.267 10 1 IKCF O=C(N=Nc1c(O)[nH]c2ccc(F)cc12)/C(=C/c1ccccc1)NC(=O)c1ccccc1 617960145 HVFZASQCQKPELB-ACPLFORQSA-N 428.423 5.094 10 1 IKCF Cc1cc(/C=C2\SC(=S)N(CCCCCCC(=O)O)C2=O)c(C)n1-c1ccccc1 13586619 ICDAVTGCQXSNJE-HKWRFOASSA-N 442.606 5.330 10 1 IKCF CCN(CC)c1ccc(OC)c2nc(-c3c(OC)cc(COC)cc3OC)c(F)cc12 95580152 RATJKEGVDDQIEC-UHFFFAOYSA-N 428.504 5.059 10 1 IKCF O=C(O)[C@@H]1CCCN(CCOCCc2ccc(/N=N/c3cccc4ccccc34)cc2)C1 299835445 WCBYBFHLMDMYRW-RBGJJZJSSA-N 431.536 5.611 10 1 IKCF CCOC(=O)c1cc(C)n(-c2cccc(-c3ccc(OCc4ccccc4)cc3)c2)c1C 587938227 RCAHDLSPCQYJSZ-UHFFFAOYSA-N 425.528 6.517 10 1 IKCF COc1ccc(CN2CCC[C@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C2)c(O)c1 45187596 GZVODVRGEGKWRE-DEOSSOPVSA-N 439.502 5.450 10 1 IKCF Cc1cc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2cc1Br 587271280 AFZGVYVYMCLXJE-ARGWCVDVSA-N 439.313 5.677 10 1 IKCF Cc1ccc(NC(=O)c2cc3cc(/N=N/c4ccccc4C(=O)O)ccc3oc2=O)cc1 5810557 LWHNXCUTAPDBIO-CYYJNZCTSA-N 427.416 5.467 10 1 IKCF Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)Nc2ccc(N)cc2)c1 13487475 GBTKPSKAWCAELO-UHFFFAOYSA-N 435.936 5.950 10 1 IKCF CC(C)=CCC/C(C)=C/Cc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O 15120638 DMSHSZYADCTYHE-VGOFMYFVSA-N 438.476 5.223 10 1 IKCF biogenic,in-vitro Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c(Cl)c(Br)cnc3[nH]1)N2 587078272 NEGBQXDBMUCVIU-WMFXKJRFSA-N 436.140 5.854 10 1 IKCF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=C[C@@H]3c4ccccc4N(C)[C@@H]3C=C2)N1 587765749 DWAKGPIBQWYFPA-LMIJESTBSA-N 425.345 5.262 10 1 IKCF Oc1ccc(F)cc1[C@]1(c2ccc(Cl)cc2)c2ccsc2CCN1Cc1ccco1 962704054 IHUIMOSVXAPNPA-DEOSSOPVSA-N 439.939 6.189 10 1 IKCF CN(C)c1ccc([C@@H]2N[C@@H](c3nc(-c4ccccc4)c[nH]3)Cc3c2[nH]c2ccccc32)cc1 13863909 CFPAEAOCFWPJMN-RSXGOPAZSA-N 433.559 5.600 10 1 IKCF O=[N+]([O-])c1c(Br)ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078446 REJJVACTNDMFPN-USBNGQNGSA-N 445.704 5.714 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4ccccc4c4ccccc4c3[nH]1)[C@@H]1CC=C[C@H]21 587276265 JWAPQXYRBROAKL-JQXZYWDBSA-N 446.510 6.912 10 1 IKCF Cc1cc(C(=O)O)ccc1-n1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587512344 MZNJBTSEIIKABD-RUZDIDTESA-N 429.516 5.686 10 1 IKCF O=C(CSc1nc2ccccc2s1)N=Nc1c(O)[nH]c2ccc(Br)cc12 617960039 BNXQEXZGDFTYTH-UHFFFAOYSA-N 447.339 5.648 10 1 IKCF CCOC(=O)c1nnc2c(/N=N/c3ccc(/N=N/c4ccccc4)cc3)c(N)nn2c1C 45246023 TYOXYZMGFZRCEJ-OPAZKKILSA-N 429.444 5.022 10 1 IKCF O=C(Nc1ccccc1)N(Cc1ccc(O)cc1)Cc1cccc(Br)c1O 45335417 AMPJVHBLKDNTBD-UHFFFAOYSA-N 427.298 5.095 10 1 IKCF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(-c2ccc(Cl)cc2)[nH]n1 617960059 MBRNDPYKDPVJEI-UHFFFAOYSA-N 444.676 5.604 10 1 IKCF O=C(Oc1ccc(-c2ccccc2)cc1)c1cc(NCc2cc(O)ccc2O)ccc1O 13735456 LTJOVLPBDIFATN-UHFFFAOYSA-N 427.456 5.302 10 1 IKCF O=C(N=Nc1c(O)[nH]c2ccc(Cl)cc12)c1cc(-c2cccs2)nc2ccccc12 253986959 RSSGUWDFLYKHQB-UHFFFAOYSA-N 432.892 6.728 10 1 IKCF [N-]=[N+]=NCCCCCCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587260307 QVIFWDDITXXDAY-UHFFFAOYSA-N 428.334 6.318 10 1 IKCF Cc1ccc(-n2c(C)cc([C@@H]3N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c(C)c1 587751653 NJESXIAXHUIVPE-MYYSRTQBSA-N 441.388 6.236 10 1 IKCF Brc1cccc(Nc2ncnc3ccc(N/N=N/Cc4ccccc4)cc23)c1 13527503 IEJGXNCMVRIUTE-UHFFFAOYSA-N 433.313 6.115 10 1 IKCF Cc1c(CN2CCN(C)CC2)cc(-c2ccc(F)cc2)n1-c1ccc(Cl)cc1Cl 36472084 ZBQNJUMHVSSJLK-UHFFFAOYSA-N 432.370 5.646 10 1 IKCF Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1[C@@H](OC(=O)Cc1ccc(F)cc1)CCC2(C)C 84703843 FSGHGOKQADDSRN-IBGZPJMESA-N 446.474 5.672 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c21 587048077 PYDIZLIOSYMHDL-UXBLZVDNSA-N 429.819 5.070 10 1 IKCF C[C@@]1(c2ccc(O)c(CN3CCCC3)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347756 UVTGCHARMWZIEK-VPUSJEBWSA-N 447.506 5.107 10 1 IKCF CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3ccccc3)ncnc21 82178371 WDYNFJAQTNOTQO-FQEVSTJZSA-N 440.595 5.752 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2cccc(C)c2nc2c(C)c(C)ccc12 26844444 RZFRLBWWQGCKPS-UHFFFAOYSA-N 435.549 5.437 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)N1 587824277 ZIAPSLOUDVBGBV-YEJXKQKISA-N 448.420 6.512 10 1 IKCF Cc1cc(OCCn2c(CCC(=O)O)ccc2-c2ccccc2)c(C(C)C)cc1Cl 587942979 FWZYUBJTHILUBT-UHFFFAOYSA-N 425.956 6.337 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(Br)c(C)c3[nH]1)[C@@H]1CC=C[C@H]21 587271438 CEIMCUHOPZSCFR-MNVSYLFESA-N 439.313 5.677 10 1 IKCF COc1cc2c(cc1OC)[C@@](CC(=O)c1ccccc1)(c1cc(C)ccc1O)N(C)[C@H](C)C2 962643715 XVSYENMJHZZEJP-GDJIYFAZSA-N 445.559 5.111 10 1 IKCF Oc1ccc2c(c1)OC(c1ccc(O)c(O)c1)=C[C@]21NCCc2cccc(-c3ccccc3)c21 962666575 KPRZOBDHDNQARO-LJAQVGFWSA-N 449.506 5.293 10 1 IKCF Oc1cc(Cl)ccc1[C@@]1(c2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962693573 BTUXIWPCHJQADV-UQBPGWFLSA-N 439.983 5.840 10 1 IKCF COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2cc(Cl)ccc12 26005067 SWQPHPDMZOWSQQ-UHFFFAOYSA-N 427.913 5.165 10 1 IKCF Cc1cccc2c(Nc3ccc(NS(=O)(=O)CCCCN)cc3)c3cccc(C)c3nc12 26940367 VIBVPFRGKHHCIS-UHFFFAOYSA-N 448.592 5.229 10 1 IKCF COc1ccc(OC)c(-c2ccc(O)c(CNCC3(N4CCCCC4)CCCCC3)c2)c1 45367959 MUNWGCZXFZPCDE-UHFFFAOYSA-N 438.612 5.355 10 1 IKCF N=NCc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1 169702682 VRWCQIGJRDAOBZ-UHFFFAOYSA-N 430.433 7.395 10 1 IKCF CC1(C)CCC[C@]2(C)c3cc(O)c(O)cc3[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@H]12 587529379 AZCFXPXCSGMMHA-MOZWKJSSSA-N 446.587 6.325 10 1 IKCF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 587699652 RHENMEUYSPMSDF-AMXDTQDGSA-N 447.779 6.273 10 1 IKCF CC(=O)N1CCN(c2ccc(/C=C/c3cc(Cl)cc(Cc4cccnc4)c3)cc2)CC1 1857764458 BTBOCXFTRJPABF-SNAWJCMRSA-N 431.967 5.165 10 1 IKCF C[C@@H](/N=N/c1nc2ccc(Cl)cc2s1)c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 169730137 IYLOSNHUEVIRAR-IIVKIZHKSA-N 446.315 7.406 10 1 IKCF O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)C[C@H]1c1cccc(F)c1O 71340343 SIUQZYNLSGJJCF-FQEVSTJZSA-N 444.491 5.041 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587276528 LNLQTDGBSGEKPL-LPMFXHHGSA-N 430.386 5.505 10 1 IKCF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ccc(OC(F)F)cc4)c1C)[C@@H](C2)C3=O 587424623 QHSLWRPQXBVDOL-CVDCTZTESA-N 425.431 5.193 10 1 IKCF CC(C)=CCc1c(-c2cc(O)c(O)cc2O)oc2c(CC=C(C)C)c(O)cc(O)c2c1=O 14641697 HZQCZAYJXNCOSH-UHFFFAOYSA-N 438.476 5.005 10 1 IKCF endogenous,in-man O=C(Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1)Oc1ccccc1 27525712 KRYBQMYILOMTOA-UHFFFAOYSA-N 435.483 6.235 10 1 IKCF CCCN(CCCCCCNCCc1ccc(Cl)cc1)CCc1ccc(O)c(O)c1 45187796 QGDOWKKQYUMPNP-UHFFFAOYSA-N 433.036 5.398 10 1 IKCF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(N=Nc3ccccc3)ccc2O)N1 587738756 CMPCYIARXZWPJY-XMHCIUCPSA-N 440.316 6.333 10 1 IKCF CCOc1cc(N2CCCC2)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587768837 WQVXUXMABJOFIB-PEBXRYMYSA-N 433.365 5.211 10 1 IKCF COc1ccc(-c2cc3c(n2-c2cccc(Br)c2N)CC(C)(C)CC3=O)cc1 587936546 KRSQQDDILQLMKH-UHFFFAOYSA-N 439.353 5.653 10 1 IKCF CC[C@]1(c2c(O)cccc2F)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961772184 ASLNYBUSSNQUFO-RUZDIDTESA-N 426.532 5.336 10 1 IKCF CCCc1c(O)ccc2c1O[C@H](c1c(C)n(Cc3ccccc3F)c3ccccc13)CC2=O 587467281 QIAFKQWFAHBSQA-SANMLTNESA-N 443.518 6.502 10 1 IKCF Cc1cc2c(cc1-n1c(C)cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c1C)OCCO2 587512254 MQAMAIFCCISEQR-RUZDIDTESA-N 443.543 5.759 10 1 IKCF Cc1ccc(-n2c(C)cc([C@H]3N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587748951 CBSHYRRRIBOEDT-QKFKETGDSA-N 427.361 5.928 10 1 IKCF CCOC(=O)c1c(-c2cc(C)c(C)cc2OC)oc2ccc(O)c(CN3CCCCC3)c12 1772654174 ZXKXHOCGATYVAY-UHFFFAOYSA-N 437.536 5.593 10 1 IKCF Oc1ccccc1CN1CCC(CCO[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 45227336 ZBJVGPZLFRJZAC-HHHXNRCGSA-N 435.995 6.454 10 1 IKCF Cc1nc(-c2ccccc2)sc1C(=O)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 71282217 DQTWXLMKCQSFPN-OAQYLSRUSA-N 440.528 5.211 10 1 IKCF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](O)c1ccc(N(C)C)cc1)CC2=O 587469932 QLIHQTCUYSCRCJ-KAYWLYCHSA-N 431.532 5.005 10 1 IKCF CCCCOc1cc2nc(/C=C/c3cc(O)c(O)c(OC)c3)[nH]c2cc1Br 587787120 ZVUUNVQZBUOARB-AATRIKPKSA-N 433.302 5.095 10 1 IKCF COc1ccc2c(c1)[C@H](c1ccc(N3CCSCC3)cc1)N(Cc1ccc(F)cc1)CC2 963304705 UXHMGAPWTPYVIE-MHZLTWQESA-N 448.607 5.535 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(F)c(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 587276879 ONEOIELMNAQQOQ-FMTVUPSXSA-N 443.276 5.508 10 1 IKCF CCN(CC)c1ccc(-c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc1 587922891 HLDNWAPCDKPLSD-UHFFFAOYSA-N 441.575 7.611 10 1 IKCF COc1ccc(Nc2c(-c3ccc(C)c(C)c3)c(C)nn2-c2ccccc2C)c(C(=O)O)c1 64540190 BMQFJUXZYXMQRU-UHFFFAOYSA-N 441.531 6.223 10 1 IKCF Cc1cccc(-n2c(C)cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 587578453 QRLXADQYFWGZCE-IGKIAQTJSA-N 425.484 5.811 10 1 IKCF NCCc1c[nH]c2c1C(=O)c1c(c(-c3ccccc3)c3ccccc3c1-c1ccccc1)C2=O 14977596 LSIQYIDNNIOAGP-UHFFFAOYSA-N 442.518 5.779 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc21 587082680 BBHVDTNESBFMKC-UHFFFAOYSA-N 444.277 5.860 10 1 IKCF Nc1ccc(Oc2ccc3nc(-c4sc(-c5ccccc5)nc4C(F)F)[nH]c3c2)cc1 587128036 FUNKUNXIQJFXRG-UHFFFAOYSA-N 434.471 6.666 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(-c3ccccc3)ccc2O)N1 587821111 GSICIXNESMKNTC-LFVRLGFBSA-N 426.329 5.759 10 1 IKCF CC(=O)O[C@@H]1c2ccc(CN(C)C)n2-c2cccc(Cl)c2S[C@@H]1c1ccccc1 13757079 JGXAGHYDVHPDLO-FGZHOGPDSA-N 426.969 5.644 10 1 IKCF CC(C)=CCc1c2c(c3oc4oc5cc(O)c(O)cc5c4c(=O)c3c1O)C=CC(C)(C)O2 15206069 DKANPMJXHMVDJD-UHFFFAOYSA-N 434.444 5.502 10 1 IKCF biogenic CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccccc2F)c1O 28006430 MLJFPXIRHQYODJ-UHFFFAOYSA-N 449.957 6.985 10 1 IKCF Cc1ccccc1-n1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587578163 QKVZMWREQDUBER-RPLLCQBOSA-N 425.484 5.811 10 1 IKCF CCCCCc1ccc(-c2cn(Cc3ccc4c(c3)C(=O)c3ccccc3C4=O)nn2)cc1 36383174 XGQKOHFURPOYNY-UHFFFAOYSA-N 435.527 5.502 10 1 IKCF CC[C@]1(c2ccc(Br)cc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587677325 IBXRZUCBAGJPGO-MLCYQJTMSA-N 443.154 5.244 10 1 IKCF CCCCCC(=O)Oc1cccc2c1C(=O)c1cccc(OC(=O)CCCCC)c1C2=O 13558878 XEKSFNNILMDTKH-UHFFFAOYSA-N 436.504 5.433 10 1 IKCF CCOc1cc(/C=C\c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)ccc1OC(F)F 587129986 INXKUMQCBZFMNP-QCDXTXTGSA-N 437.446 6.108 10 1 IKCF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccc(Cl)cc2O)N1 587692622 BMRCWCORUGHGBT-MCMMXHMISA-N 446.747 5.773 10 1 IKCF [N-]=[N+]=NCCC[C@H]1CC[C@@]2(CC1=O)NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962953667 JXSOKPIXUHWLCM-BTYIYWSLSA-N 436.478 5.012 10 1 IKCF Oc1c([C@@H](Nc2ccccn2)c2cccc(C(F)(F)F)c2)cc(Cl)c2cccnc12 96285981 HTXHEDGTGSQXTR-IBGZPJMESA-N 429.829 6.209 10 1 IKCF CC(=O)N1N=C(c2ccc3c(c2O)C=C[C@](C)(CCC=C(C)C)O3)C[C@@H]1c1cccnc1 169341808 AHZATKWRXLBRCP-BVAGGSTKSA-N 431.536 5.396 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cc(Br)c2O)N1 587680611 UCECUQIVCBYWOL-ZIDLFYJRSA-N 449.545 5.333 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCc2ccccc2)(c2ccccc2O)N1 587830586 DRHMQEPJAOSVGF-FYSMJZIKSA-N 440.356 5.704 10 1 IKCF Oc1cc(Cl)ccc1[C@]1(c2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962693563 BTUXIWPCHJQADV-CLOONOSVSA-N 439.983 5.840 10 1 IKCF COc1ccccc1C(=O)O[C@@H]1CCC(C)(C)c2ccc3c(c21)C(=O)C(=O)c1c(C)coc1-3 84672219 BKZDAFOPASLEOS-LJQANCHMSA-N 444.483 5.612 10 1 IKCF O=C1c2ccccc2C(=O)c2c1ccc1nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c21 587145993 ZBOTWZSFNCGUDF-UHFFFAOYSA-N 432.454 5.735 10 1 IKCF O=[N+]([O-])c1cnc(Sc2nnc(-c3cccc4ccccc34)n2Cc2ccco2)s1 40846055 RHCKHDODOJRZNC-UHFFFAOYSA-N 435.490 5.256 10 1 IKCF O=C1NC(=S)S/C1=C\N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(Cl)cc1 653878761 IFGOGXDHPCFACP-TUNPGAEXSA-N 449.988 5.634 10 1 IKCF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCc1ccc(O)c(O)c1 8860432 ONKDZYNMALBBQX-JLNKQSITSA-N 437.624 6.678 10 1 IKCF Cc1c(C(=O)c2ccccc2)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1ccc(F)cc1 13762070 FUNWFIDUKZOKJX-UHFFFAOYSA-N 433.504 5.226 10 1 IKCF CNc1cc(NS(C)(=O)=O)ccc1Nc1c2ccc(Cl)cc2nc2c(C)cccc12 29476708 PEXVLOBOAHTOQX-UHFFFAOYSA-N 440.956 5.507 10 1 IKCF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1cc(Br)ccc1O 617960028 KHJDYHDAJQJPPZ-UHFFFAOYSA-N 439.063 5.028 10 1 IKCF CN(Cc1ccc(N(C)C)cc1)Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1 72121438 YONNUBSFTARJBA-UHFFFAOYSA-N 445.010 6.198 10 1 IKCF COc1ccc(C2=C(c3ccccc3)[C@@H]3C(=O)c4ccccc4C(=O)[C@@]23OC)c2cccnc12 96934487 VDPZJLNKRVPVHQ-VAVYLYDRSA-N 447.490 5.248 10 1 IKCF CC1(C)CC(=O)c2cc(-c3ccc(F)cc3)n(-c3cccc(C4=NC(C)(C)CO4)c3)c2C1 587938616 ZPDICXYIBZUOPM-UHFFFAOYSA-N 430.523 5.994 10 1 IKCF COc1ccc(N(Cc2cc(Br)ccc2O)C(=O)Nc2ccccc2)cc1 72175992 HSQFPAAXIVDORB-UHFFFAOYSA-N 427.298 5.402 10 1 IKCF COc1ccc(CN(Cc2ccc(OC)cc2)Cc2c(O)ccc3c(=O)cc(C)oc23)cc1 64510375 ZYVIOVMSXCXPHL-UHFFFAOYSA-N 445.515 5.027 10 1 IKCF CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cc(Cl)cc(Cl)c1O 95562050 WTDGCYXEYIDSPB-MRXNPFEDSA-N 428.113 5.159 10 1 IKCF CN(C)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccc(Cl)cc2)c1O 28004016 YUFCNMYEHQBUMA-UHFFFAOYSA-N 438.358 6.719 10 1 IKCF Cc1cc(C2=NN(C(=S)Nc3ccccc3C)[C@H](c3ccccc3Cl)C2)ccc1O 28653296 RFNKUGCLHYTASK-QFIPXVFZSA-N 435.980 6.211 10 1 IKCF CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NC3CCCCCC3)ncnc21 82190590 YGHYZWUWNLRUDE-FQEVSTJZSA-N 446.643 6.274 10 1 IKCF O=C(Cc1sc(/N=N/C=C/Cc2ccccc2)nc1O)Nc1ccc(Cl)c(Cl)c1 169693255 XUGQFTAMMMSXBI-LXYNMVOZSA-N 447.347 6.177 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)[C@H]1CC=C[C@@H]21 587272974 YDIOZQVSOOWWBO-UFYHVXEKSA-N 448.832 6.278 10 1 IKCF Cc1ccc(-c2cc(Cl)ccc2OCC2CCOCC2)n1-c1cccc(C(=O)O)c1 40567087 TVMVBXQYGZHSSY-UHFFFAOYSA-N 425.912 5.610 10 1 IKCF CC[C@H](C)Cn1c(-c2ccc(N3CCCC3)cc2)nc2c(NCc3cccs3)ncnc21 82190225 BCIKRSSZGMLJAK-SFHVURJKSA-N 446.624 5.813 10 1 IKCF COc1cc2c3c(c1)O[C@H](c1c(C)n(Cc4ccccc4Cl)c4ccccc14)[C@@H](C2)C3=O 587419988 OETZJARWSHTTHP-DCFHFQCYSA-N 443.930 6.149 10 1 IKCF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccccc1Cl 587544584 FNMOKJYNWHAWDY-OZXSUGGESA-N 445.902 6.156 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccc(Cl)cc4Cl)n3)c2C)c1 587924090 DKWJTZTXRZAQBF-UHFFFAOYSA-N 445.440 7.913 10 1 IKCF O=C1[C@H](c2ccccc2)Oc2cccc(O)c2[C@]12c1ccsc1CCN2Cc1ccco1 962706239 LQRNAFYIDUFBEF-AZGAKELHSA-N 443.524 5.051 10 1 IKCF CN1C[C@H](C(=O)NC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4Cc3ccccc3)C[C@H]21 27729901 OHHXFCFYUCVKBC-AVPJRLCVSA-N 441.619 5.099 10 1 IKCF C1=CC=C2NCCCCCCCN=C3C=CC=CC=C3NCCCCCCCN=C2C=C1 254200575 RUJKWYHYWIPGTB-UHFFFAOYSA-N 432.656 5.982 10 1 IKCF Cc1ccc(C)c(Cn2c(C)c([C@H]3c4ccsc4CCN3C(N)=O)c3ccccc32)c1 962710903 SAOPGVMISAQQLW-RUZDIDTESA-N 429.589 5.703 10 1 IKCF COc1cccc(CN2CCC[C@@H](OC(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1O 45211301 XXXMKWLMRIPOOM-HSZRJFAPSA-N 439.502 5.450 10 1 IKCF CC[C@]1(c2cc(Cl)cc(Cl)c2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587697015 VQKBUHSLNYDINR-LZVRBXCZSA-N 433.148 5.788 10 1 IKCF CSc1cccc(-n2c(C)cc(-c3csc(-c4ccnc(-n5cncn5)c4)n3)c2C)c1 587924426 XUSRMQXLKJHSPX-UHFFFAOYSA-N 444.589 5.582 10 1 IKCF CSc1ccc(-c2ccc(C)n2-c2c([N+](=O)[O-])cc(Br)c(F)c2C)cc1 587943449 BXXVUFZONWKTKR-UHFFFAOYSA-N 435.318 6.293 10 1 IKCF CCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(Cl)ccc23)c(OC)c1 26851780 JWHLOWWRZABPRA-UHFFFAOYSA-N 441.940 5.555 10 1 IKCF CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)cc(-c2ccncc2)c1O 28014448 XHDPMXQCUROVIG-UHFFFAOYSA-N 432.955 6.241 10 1 IKCF Nc1ccc(Oc2ccc3nc(C[C@@H]4Sc5ccc(Cl)cc5NC4=O)[nH]c3c2)cc1 587043102 OKCQGAOYEYQGDB-FQEVSTJZSA-N 436.924 5.246 10 1 IKCF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12c1ccccc1CSc1ccccc12 587619950 WDSSOKJLLLCJRZ-RPLLCQBOSA-N 438.504 5.903 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(F)ccc2O)N1 587735577 XWDSFUBIAGJCNL-WHEQGISXSA-N 430.292 5.259 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(c2ccc(O)cc2O)N1 587822812 RIASOGQDSQGZSO-PSLXWICFSA-N 442.328 5.020 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c4ccccc4c4ccccc4c3[nH]1)[C@H]1CC=C[C@H]21 587276262 JWAPQXYRBROAKL-JNMBUGSCSA-N 446.510 6.912 10 1 IKCF COc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccccc2C)c(Br)c1 587636837 LACRCYLATYKHLW-UHFFFAOYSA-N 436.305 6.280 10 1 IKCF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(N=Nc3ccccc3)ccc2O)N1 587743559 WZTVONQIBKRMTG-WHEQGISXSA-N 440.316 6.333 10 1 IKCF CCC(CC)CNc1ccc(O)c(CNCCc2cccc(OC(=O)N(C)CC)c2)c1 1857561937 DKBQZLFKMZPJBP-UHFFFAOYSA-N 427.589 5.023 10 1 IKCF O=C(/N=N/c1c2[nH]c3ccccc3nc-2c2ccccc12)c1cccc(Br)c1 169730532 PDVVPXFXQDNNRR-CYYJNZCTSA-N 429.277 6.508 10 1 IKCF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(Br)c(C)nc3[nH]1)[C@@H]1CC=C[C@H]21 587272903 XUSSPLJNTDJJLX-JCGVRSQUSA-N 440.301 5.072 10 1 IKCF COc1ccc(Cl)c2c1CCN[C@@H]2c1cccc(-c2ccccc2C(F)(F)F)c1O 963259508 RYOHJYOEULSTRK-OAQYLSRUSA-N 433.857 5.975 10 1 IKCF COc1ccc(C2=C(c3ccccc3)[C@H]3C(=O)c4ccccc4C(=O)[C@@]23OC)c2cccnc12 96934486 VDPZJLNKRVPVHQ-ABYGYWHVSA-N 447.490 5.248 10 1 IKCF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cccc(OCc4ccccc4)c3[nH]1)N2 587078004 DZQSPBMZTYEEAW-GLDPYIMESA-N 427.935 6.622 10 1 IKCF CCOc1cc(N2CCCC2)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587768836 WQVXUXMABJOFIB-JLCFBVMHSA-N 433.365 5.211 10 1 IKCF Cc1c(CNC2CCCCC2)cc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1 1857600591 SEUXSCRVDPAAQR-UHFFFAOYSA-N 435.055 7.826 10 1 IKCF Cc1cc(-c2csc(COc3ccc(C(C)(C)C)cc3)n2)c(C)n1-c1ccccc1F 587921836 BRXQRESGDLCJGI-UHFFFAOYSA-N 434.580 7.233 10 1 IKCF