smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587823030 SBYMXAMNJIZGDA-BTDLBPIBSA-N 350.231 4.226 10 1 FICF O=c1c2ccc(F)cc2nc(/C=C/c2cccnc2)n1Cc1ccccc1 72138476 KDSNUIYTKYHGTA-DHZHZOJOSA-N 357.388 4.149 10 1 FICF COc1ncc(F)cc1-c1nc2cc(Oc3ccc(N)cc3)ccc2[nH]1 587175892 JJUZXGHGXYRPAT-UHFFFAOYSA-N 350.353 4.147 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cc(F)cc2F)N1 587721108 OTEPWSHLERJBHM-QZTNRIJFSA-N 372.184 4.196 10 1 FICF CCc1ccc(O)c([C@]2(C)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1 962561672 DQYBMSJYQTYYFK-FPTDNZKUSA-N 355.478 4.112 10 1 FICF O=C(N=Nc1c(O)[nH]c2ccccc12)c1n[nH]c2c1CCc1ccccc1-2 617960051 HBXKLYAPHYJIJJ-UHFFFAOYSA-N 357.373 4.286 10 1 FICF CN1CCCC[C@@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 15114135 BBZGOLNDVQZCIH-CQSZACIVSA-N 351.402 4.028 10 1 FICF biogenic,in-vitro CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)/C1=C(/O)O[C@@H]1CCC[C@@H]1C 617964405 YLSGWCSZBKUAMW-VVQAWYLHSA-N 373.522 4.118 10 1 FICF Cc1cnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)nc2c1 587275414 DMOPTJRGXZHNGF-PMUMKWKESA-N 361.405 4.309 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2O)N1 587842822 GGZBTQXSODZPJO-VXJOIVPMSA-N 356.260 4.153 10 1 FICF CC(C)(C)c1cc(/C=C2\SC(NC#N)=NC2=O)cc(C(C)(C)C)c1O 13734175 QHJVYZBKWNABSG-ZROIWOOFSA-N 357.479 4.028 10 1 FICF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(O)ncnc4[nH]3)cc2)cc1 587195403 JXFAYYRKLZRBFX-UHFFFAOYSA-N 359.393 4.207 10 1 FICF CC[C@@]1(c2ccc(Br)cc2O)NCCc2cc(C)c(F)cc21 962090209 HMYCHEPIXWOUOI-SFHVURJKSA-N 364.258 4.402 10 1 FICF CN(C)Cc1ccc2nc(-c3ccccn3)c(Nc3cccc(F)c3)n2c1 2382227017 ZOEHPBARQCDXAH-UHFFFAOYSA-N 361.424 4.341 10 1 FICF CCOC(=O)c1ccc2oc(/C=C/C=C\c3ccc(O)c(O)c3)nc2c1 38150763 QXGNTEBDJQWOHG-CIIODKQPSA-N 351.358 4.142 10 1 FICF Cc1ccc(-c2cc3c(c(/C=C/N(C)C)n2)C(=O)c2ccccc2C3=O)cc1 96934764 TZKAICJJTHLTDI-OUKQBFOZSA-N 368.436 4.365 10 1 FICF COc1cc([C@H]2c3cccc4cccc(c34)[C@@H]3CCC(=O)N32)cc(O)c1O 1654649 XDONCFAHMRIQHS-KKSFZXQISA-N 361.397 4.026 10 1 FICF COc1cccc(-c2cc3c(n2-c2ccc(O)c(C(=O)O)c2)CCCC3)c1 39194363 LSNACRUROPVSTL-UHFFFAOYSA-N 363.413 4.436 10 1 FICF CC(C)c1ccc2c(N=Nc3ccc(S(N)(=O)=O)cc3)c(O)[nH]c2c1 618008535 BXOSDELNTKJOFY-UHFFFAOYSA-N 358.423 4.060 10 1 FICF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@H](c3ccccc3)C2)ccc1O 35013070 NRMJLPBCZDCGBQ-FQEVSTJZSA-N 357.413 4.087 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2O)N1 587847853 YWGGUIDKCMPEHF-AYVTZFPOSA-N 356.260 4.153 10 1 FICF CC(C)(C)C(C)(C)c1cc(Cn2ccnc2)c(O)c(Cn2ccnc2)c1 1857558030 SWGNLJVGERVJRP-UHFFFAOYSA-N 352.482 4.206 10 1 FICF CCCCNc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O 36487442 ACWIMIUIZQMGDE-UHFFFAOYSA-N 367.493 4.252 10 1 FICF CCOC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1O 653918461 BOTHKDMSQDQEKD-UHFFFAOYSA-N 356.205 4.193 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2O)N1 587728091 CRVGYEUELGWAFI-PWJLMRLQSA-N 354.194 4.057 10 1 FICF O=C(O)[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@@H]1CC=C[C@@H]31 4131758 LBDYSHXIVYPQCI-KTORYTAQSA-N 372.262 4.055 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cnc3[nH]1)[C@@H]1CC=C[C@H]21 587275717 GANYGFCWZMEMKD-AHIWAGSCSA-N 365.368 4.140 10 1 FICF O=C1CCCC2=Nc3ccc4ncccc4c3[C@@H](c3ccc(O)c(O)c3)[C@H]12 169688579 JPZXETDQOJWFDE-IRLDBZIGSA-N 358.397 4.233 10 1 FICF Cc1ccc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587821786 JZYGYARAAOZUEO-QGHHPUGFSA-N 350.231 4.226 10 1 FICF O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@H]21 4539494 HMYBOJRMGBRYMD-SUNYJGFJSA-N 353.805 4.109 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(F)c2O)N1 587722000 XLYJQWQRAMROQT-NZFNHWASSA-N 372.184 4.196 10 1 FICF Oc1cc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2cc1O 1857587437 KCQQJFIUJBRPMX-UHFFFAOYSA-N 359.385 4.364 10 1 FICF Cc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587822593 PQFSIASTMWEACS-VOJFVSQTSA-N 364.258 4.400 10 1 FICF CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1coc2ccccc2c1=O 72107413 GAVBWOJPATXUKB-MFOYZWKCSA-N 364.788 4.253 10 1 FICF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(O)c(O)c1)CC2=O 587488991 LVVQPOXMQFWQRF-NRFANRHFSA-N 356.418 4.113 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cc(F)cc2F)N1 587718855 JWVKGEHILWVGHD-QZTNRIJFSA-N 372.184 4.196 10 1 FICF COc1c(-c2ccc(O)c(O)c2)cc(OC)c2c1oc1cc(O)c(O)cc12 13382942 BSCBIPAJRHENCS-UHFFFAOYSA-N 368.341 4.093 10 1 FICF biogenic Cc1cnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)nc2c1 587275413 DMOPTJRGXZHNGF-HBUWYVDXSA-N 361.405 4.309 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(F)c2O)N1 587722591 SXYXANZMVUGXDX-ZIDLFYJRSA-N 372.184 4.196 10 1 FICF CC(C)CN(C)c1cc2c(cc1Cl)C=C(C(=O)O)[C@H](C(F)(F)F)O2 66252767 NTNQMVISBBFDRT-CQSZACIVSA-N 363.763 4.224 10 1 FICF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@@H]1c1ccccc1 103191210 IWPFEYVXDARLFX-JOCHJYFZSA-N 359.429 4.333 10 1 FICF O=C1c2ccccc2-c2nnc(COc3ccc(C(F)(F)F)cc3)cc21 14970101 KCCJCSCMDDBSEB-UHFFFAOYSA-N 356.303 4.286 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2O)N1 587831342 GXGGTSBGFCLVTI-BTDLBPIBSA-N 350.231 4.092 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2O)N1 587847852 YWGGUIDKCMPEHF-ANRSDYALSA-N 356.260 4.153 10 1 FICF CCCC[C@@H]1Cc2cc(OC)ccc2-c2n1c1cc(OC)ccc1[n+]2C 5838358 BORSTIMQPSHGHB-MRXNPFEDSA-N 351.470 4.437 10 1 FICF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@H]2c2ccco2)cc1 28950859 KRBMLECTQYULGM-HXUWFJFHSA-N 365.385 4.061 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2O)N1 587714849 BTHSTSQPPHLHDS-GLEZIHRCSA-N 354.194 4.057 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2O)N1 587831344 GXGGTSBGFCLVTI-DYZYQPBXSA-N 350.231 4.092 10 1 FICF C[C@@]1(c2cc(F)ccc2O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962699003 DPTZHUWQOSTNHD-VLIAUNLRSA-N 361.457 4.298 10 1 FICF Oc1cc2c(cc1O)[C@H]1C[C@@H](c3ccc(C(F)(F)F)cc3)CN[C@@H]1CC2 95565820 FDKQJEHYQUMGMK-KBRIMQKVSA-N 363.379 4.292 10 1 FICF C/C=C/C=C(\C)c1cc(=O)c2ccc3c(c2o1)C(=O)c1c(O)cccc1C3=O 238785295 MXHACBJMHHPURG-HEPHUNMXSA-N 372.376 4.253 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cccc2F)N1 587723683 YPUOLMAPPQDESM-ZKANADHPSA-N 354.194 4.057 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2O)N1 587733726 RYJWXOSWKHPURH-ZKANADHPSA-N 354.194 4.057 10 1 FICF O=C1N=C(O)/C(=C\c2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)C(=O)N1 73139127 LNUFTIOTRSQXHM-UHFFFAOYSA-N 365.776 4.078 10 1 FICF CCOC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)N=C1C 101739894 NCMWLXHCIGJQBD-GZTJUZNOSA-N 368.408 4.424 10 1 FICF CCn1cc(C(=O)O)c(=O)c2ccc(/N=N\c3ccc(OC)c(C)c3)cc21 2382236379 CDDQODQMZVBQER-DQRAZIAOSA-N 365.389 4.452 10 1 FICF C/C(=C(/C)c1ccc(CN(C)C)c(O)c1)c1ccc(CN(C)C)c(O)c1 82150517 FFZOGVQOOYMVTF-FOCLMDBBSA-N 354.494 4.172 10 1 FICF O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCCCCCO 84687161 URBMESQGRXDLSS-UHFFFAOYSA-N 361.441 4.156 10 1 FICF CC[C@]1(c2ccccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587831407 HGBDMAFZBQQPBM-BBATYDOGSA-N 364.258 4.482 10 1 FICF Cc1cnc(SC[C@]2(c3cccs3)NCCc3ccc(O)cc32)s1 963329393 NPVZQSCNEOICLF-SFHVURJKSA-N 374.556 4.400 10 1 FICF O=C(Cn1ccnc1/N=N/c1ccc(Cl)c(Cl)c1)N1CCCC1 1772604963 PHMMHKKIOONLMS-FMQUCBEESA-N 352.225 4.228 10 1 FICF Cc1cc(-c2ccc(O)c(CN3CCCC[C@@H]3CO)c2)c2ccccc2n1 11995592 XFYKJZVCYZZHFJ-LJQANCHMSA-N 362.473 4.263 10 1 FICF Cc1cc(/N=N/Cc2ccccc2[N+](=O)[O-])c2cc3c(cc2n1)OCO3 169727993 YSNWPZWDOAEJKD-XUTLUUPISA-N 350.334 4.464 10 1 FICF O=C1c2ccccc2C(=O)c2c1c1ccccc1c(=O)n2C1CCCCC1 299826788 DXSKMEUDLZBFNP-UHFFFAOYSA-N 357.409 4.282 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cccc2F)N1 587720242 NAUSGGIPUKVRKU-XLFHBGCDSA-N 368.221 4.231 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2O)N1 587727730 PHNXCFCXTICZDJ-HUTHGQBESA-N 368.221 4.231 10 1 FICF CC(C)[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2cc(Cl)ccc2O)N1 4729613 SRVKWLXVSOAVPE-OXQOHEQNSA-N 372.852 4.280 10 1 FICF Cc1ccc(/N=N/c2c(O)n(CN3CCOCC3)c3ccccc23)cc1 6426558 CCUONORJTUMTFB-QURGRASLSA-N 350.422 4.360 10 1 FICF CN1CCN(CCNc2c3ccccc3nc3ccc4ccccc4c23)CC1 45201238 MOAIQVBNEGBFEM-UHFFFAOYSA-N 370.500 4.201 10 1 FICF O=C(CCc1ccccc1)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O 299833154 JQJMQMVJBRHPFN-UHFFFAOYSA-N 362.406 4.045 10 1 FICF CC(C)=CCCc1c(O)c2c(c(O)c1Cl)C(=O)c1ccccc1C2=O 14491143 OMNIOLUJTUKRAH-UHFFFAOYSA-N 356.805 4.425 10 1 FICF biogenic,in-vitro COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(Cl)cc(Cl)c1O 963634132 JOEVPZCBACIWHG-VVVCHXIZSA-N 368.260 4.340 10 1 FICF N=C(N)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587077837 AMTVEFMRZVMYJL-JCGVRSQUSA-N 363.852 4.327 10 1 FICF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCC(=O)O)c1cc(C)ccc1O 963238119 ZNSWMTKJGNZISW-HXOBKFHXSA-N 367.489 4.466 10 1 FICF O=C(O)[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@H]31 4131756 LBDYSHXIVYPQCI-ARBLVEDDSA-N 372.262 4.055 10 1 FICF COc1cccc(CCn2c3c(c4c2-c2ccccc2C4=O)C(=O)CCC3)c1 299835058 LOIVDCFVCNLNCO-UHFFFAOYSA-N 371.436 4.470 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cc(F)cc2F)N1 587721106 OTEPWSHLERJBHM-HYORBCNSSA-N 372.184 4.196 10 1 FICF Cc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587835111 VAEYMXNCVAKUCF-QLJPJBMISA-N 350.231 4.226 10 1 FICF COc1ccc(Cn2c(/C=C/c3cccnc3)nc3ccccc3c2=O)cc1 72122018 AKDBLZUVXFNRFT-JLHYYAGUSA-N 369.424 4.019 10 1 FICF COc1ccc2c(c1)-c1nnc(-c3cccc(C(F)(F)F)c3)cc1C2=O 36241780 BWEQEBUJVMCEEU-UHFFFAOYSA-N 356.303 4.382 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cccc2F)N1 587720239 NAUSGGIPUKVRKU-HUTHGQBESA-N 368.221 4.231 10 1 FICF COc1cc([C@]2(C)NCCc3cc(C)c(F)cc32)c(O)c2ccccc12 962143050 HXUOAFXAIRTVHS-JOCHJYFZSA-N 351.421 4.411 10 1 FICF CC[C@]1(c2cc(Cl)c(C)cc2O)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963030646 OBATUWJIMINUGM-ZSEKCTLFSA-N 370.880 4.061 10 1 FICF CCS(=O)(=O)c1ccc(OC)c(/N=N/c2ccc(O)c3ncccc23)c1 13544841 FGANNBMGTBZWGA-QZQOTICOSA-N 371.418 4.158 10 1 FICF CCCC[C@@H](C)C(=O)c1c(C)cc2c(c1O)C(=O)c1c(O)cccc1C2=O 2356340995 CSGFQFVGUBKULF-LLVKDONJSA-N 366.413 4.191 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(O)c3[nH]1)[C@H]1CC=C[C@@H]21 587277656 ZOGPHRSPOVAHNE-VBHSOAQHSA-N 362.389 4.312 10 1 FICF CCC(=O)Nc1ccc(C2=NC(=O)/C(=C/c3ccc(OC)cc3)S2)cc1 84654225 RGVOLMPBOYIPLW-ATVHPVEESA-N 366.442 4.105 10 1 FICF COc1cccc(-c2ccc(O)c(CNC[C@@H]3C[C@@H]4C=C[C@@H]3C43CC3)c2)n1 100097349 ZAUWQSSTBZGPNN-WDSOQIARSA-N 362.473 4.155 10 1 FICF COc1cc2cc[n+]3cc4c(OC)c(OC)ccc4c(C)c3c2cc1OC 238769936 GGKUARJTVDFJJS-UHFFFAOYSA-N 364.421 4.075 10 1 FICF CC(C)N1CCN(CCCNc2c3ccccc3nc3ccccc23)CC1 45201848 ADZUEQKETJENKP-UHFFFAOYSA-N 362.521 4.216 10 1 FICF COc1cc(CNc2ccc(-c3ccccc3)cc2[N+](=O)[O-])cc(O)c1O 73198664 PNGAFGFEWZBQIS-UHFFFAOYSA-N 366.373 4.294 10 1 FICF COc1ccccc1N1CCN(Cc2ccc(-c3ccccc3)n2C)CC1 27556023 NWMABYSDZBQPTK-UHFFFAOYSA-N 361.489 4.023 10 1 FICF O=C1CC(=O)N(c2ccccc2)N1/C(=C/c1ccccc1)c1ccccc1 102979816 CJSGWAAGUVCPFG-LTGZKZEYSA-N 354.409 4.365 10 1 FICF C[C@H](O)c1ncc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)s1 587022315 PSICXHYDTHVLSB-JTQLQIEISA-N 352.419 4.114 10 1 FICF O=C1N=C(NCCc2ccccc2)S/C1=C\c1ccc2ncccc2c1 28821258 ZCSBYQPGNSCHEB-RGEXLXHISA-N 359.454 4.037 10 1 FICF Cc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587830230 CDGFYQYTJYRSHT-MGPLVRAMSA-N 350.231 4.226 10 1 FICF CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)/C1=C(/O)O[C@H]1CCC[C@@H]1C 617964403 YLSGWCSZBKUAMW-FSJMAQORSA-N 373.522 4.118 10 1 FICF COc1ccc2c3c(n(CCCOc4ccc(Cl)cc4)c2c1)CNCC3 1857590967 NOPVNHINHDSWFD-UHFFFAOYSA-N 370.880 4.418 10 1 FICF CN(C)c1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 45388064 ILPRDEDKIAQCMC-UHFFFAOYSA-N 367.408 4.071 10 1 FICF in-vivo O=C1C(=Cc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 2356838918 MENIDHWXYACBAM-UHFFFAOYSA-N 369.380 4.429 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc(F)c2F)N1 587714972 GSORCUMCUAHTDJ-HYORBCNSSA-N 372.184 4.196 10 1 FICF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCC(=O)O)c1cc(C)ccc1O 963238116 ZNSWMTKJGNZISW-GAJHUEQPSA-N 367.489 4.466 10 1 FICF CCCCn1c2c(c3ccc(O)cc31)CCn1c-2nc2ccccc2c1=O 1911581903 NUNHFEFPFNTUPR-UHFFFAOYSA-N 359.429 4.080 10 1 FICF C/C=C\C=C(\C)c1cc(=O)c2ccc3c(c2o1)C(=O)c1c(O)cccc1C3=O 238785298 MXHACBJMHHPURG-HLTLCVLOSA-N 372.376 4.253 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(F)c2O)N1 587719179 PIANSNSAZUDDMF-NZFNHWASSA-N 372.184 4.196 10 1 FICF Nc1ccc(Oc2ccc3nc(CCOc4ccc(C=O)cc4)[nH]c3c2)cc1 587566412 LNTUCQRXMFHKAZ-UHFFFAOYSA-N 373.412 4.371 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(F)c2O)N1 587722166 RMSLKFCPAJQWMT-KWKYVRJSSA-N 372.184 4.196 10 1 FICF CNc1cccc2c1C(=O)c1ccccc1[C@]21NCCc2c1sc(C)c2C 963016252 XWLZUBZOMIRSBK-QHCPKHFHSA-N 374.509 4.389 10 1 FICF CN(C)c1ccc([C@H]2C=C(c3ccccc3)N3NC(=S)SC3=N2)cc1 1857639077 BBCQCCPSWQXWEQ-MRXNPFEDSA-N 366.515 4.043 10 1 FICF CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(Nc2nncs2)cc1 103195591 ZMGIVATVFAGLDA-GZTJUZNOSA-N 361.430 4.088 10 1 FICF CO[C@@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccccn1)=C2c1ccccc1 96934698 CSPNPKODKGANTC-ZJSXRUAMSA-N 367.404 4.087 10 1 FICF COc1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]23)cc1[N+](=O)[O-] 13389152 MDGJBZYEXRQXNJ-PJIJBLCYSA-N 367.361 4.338 10 1 FICF Oc1ccccc1CNCCCNc1c2c(nc3ccccc13)CCCC2 95561592 PXIRZFSARGCTPF-UHFFFAOYSA-N 361.489 4.411 10 1 FICF CCCCCCNc1cc2c(c3nsnc13)C(=O)c1ccccc1C2=O 219767393 MNWMQGXDBYZSSC-UHFFFAOYSA-N 365.458 4.459 10 1 FICF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@H](CCC(=O)C(C)=O)C2=O 2356443708 VZLDLHYWDGOXRE-OAHLLOKOSA-N 360.450 4.033 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cnc3[nH]1)[C@@H]1CC=C[C@@H]21 587275721 GANYGFCWZMEMKD-XNJGSVPQSA-N 365.368 4.140 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2O)N1 587714837 BTHSTSQPPHLHDS-ANRSDYALSA-N 354.194 4.057 10 1 FICF COc1cc2c(/C=C3/C(=O)N(C)c4ccc(O)cc43)c(Cl)[nH]c2cc1C 6522234 GDHDTCVRELNOPC-OVCLIPMQSA-N 368.820 4.361 10 1 FICF Nc1ccc(Oc2ccc3nc(C(F)(F)c4ccccn4)[nH]c3c2)cc1 587090699 VXZKUPMVYRSSIO-UHFFFAOYSA-N 352.344 4.473 10 1 FICF Cc1cnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)nc2c1 587275415 DMOPTJRGXZHNGF-QWQRMKEZSA-N 361.405 4.309 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2O)N1 587735167 WUUXZJGLHVYIBG-BCTVWOGZSA-N 354.194 4.057 10 1 FICF CC(=O)N[C@H](c1ccco1)c1cc(Cl)c2ccc(Cl)nc2c1O 36388632 JVJAWGCRXJZXIW-AWEZNQCLSA-N 351.189 4.066 10 3 FICF Nc1ccc(OCCCN[C@@H]2CCC[C@@H]2CCCCCCC(=O)O)cc1 28007708 DJWGVYPFOAFSJA-FXAWDEMLSA-N 362.514 4.221 10 1 FICF CCOC(=O)c1cc(C)n(-c2cc(OCC)c(C(=O)O)cc2Cl)c1C 587942170 VWOFVSATCSDHAW-UHFFFAOYSA-N 365.813 4.021 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)cc2)N1 587752624 DXBPFVAVZJUJGH-ADLMAVQZSA-N 363.274 4.278 10 1 FICF CCCOC(=O)/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12 1857653878 PVVPEWZHECUNGT-VMPITWQZSA-N 354.358 4.183 10 1 FICF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(O)c(O)cc1C3 586990634 HHSAQZKPBVDNCQ-UHFFFAOYSA-N 367.360 4.134 10 1 FICF COc1cccc2c1[C@H](/C=C/c1ccccc1)[C@@H]([C@@H](O)CN=[N+]=[N-])OC2 169332616 WQGWJXORQCSWKT-DGLWCHGWSA-N 351.406 4.062 10 1 FICF CCO[C@@H]1[C@H]2OC(=O)[C@@]3(CCCC(C)(C)[C@@H]13)c1c2cc(C(C)C)c(O)c1O 2356673006 FJMGWJZYOIMNBF-JYLXEMOASA-N 374.477 4.302 10 1 FICF O=C1CCCC2=Nc3ccc4ncccc4c3[C@H](c3ccc(O)c(O)c3)[C@H]12 13571351 JPZXETDQOJWFDE-UNMCSNQZSA-N 358.397 4.233 10 1 FICF C[C@@H](/N=N/c1c(F)c(F)nc(F)c1F)c1ccc(-n2cncn2)cc1 169690382 JFACQRSUVOJKPT-PZJDCVIHSA-N 350.279 4.064 10 1 FICF CC1=NN(C(=O)c2ccc(C)cc2)[C@@H](c2cc(Br)ccc2O)C1 653723903 LHABQBZLIQBJGJ-MRXNPFEDSA-N 373.250 4.426 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccc(O)c32)N1 587834352 RQJNXLBKPBVULZ-YPMLDQLKSA-N 362.242 4.018 10 1 FICF Oc1c(CN2CCCC2)cc(Nc2ccccc2)cc1CN1CCCC1 26743566 IFJAAXDBQYTJTR-UHFFFAOYSA-N 351.494 4.327 10 1 FICF CO[C@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(O)c(C(=O)O)c2)C1 39194388 RUHKAQGPNWCTGC-KRWDZBQOSA-N 363.413 4.052 10 1 FICF Cc1cc(/N=N/Cc2ccc(O)c(C)c2O)nc(-c2ccccc2O)n1 169688547 RJNYBIJZVJEFKP-BSYVCWPDSA-N 350.378 4.161 10 1 FICF CSc1ncc(CN2CCC(N(C)Cc3ccccc3C)CC2)s1 299862741 NUFCEJCPWPDEKZ-UHFFFAOYSA-N 361.580 4.270 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2O)N1 587831341 GXGGTSBGFCLVTI-BMLIUANNSA-N 350.231 4.092 10 1 FICF CC(C)=CCc1c(-c2oc3cc(O)c(C)cc3c(=O)c2O)ccc(O)c1O 238773864 MDNYVQDDJXPPGW-UHFFFAOYSA-N 368.385 4.100 10 1 FICF O=C(OCC1CCCCC1)c1cc(NCc2cc(O)ccc2O)ccc1O 13735426 MWHCDXDJZRMOBD-UHFFFAOYSA-N 371.433 4.153 10 1 FICF CC(C)CN(C)c1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2 66251350 NTNQMVISBBFDRT-AWEZNQCLSA-N 363.763 4.224 10 1 FICF Cc1cc(-c2csc(-c3cnc[nH]c3=N)n2)c(C)n1-c1ccccc1F 587922809 WXRZCDZWTQZEPS-UHFFFAOYSA-N 365.437 4.226 10 1 FICF Cn1c(SCC(=O)/N=N\c2c(O)[nH]c3ccccc23)nc2ccccc21 5091830 PDXGXKZFAVGNNQ-DQRAZIAOSA-N 365.418 4.163 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2O)N1 587832573 JXXWAWBNOMHMOD-QGHHPUGFSA-N 350.231 4.092 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(F)c2O)N1 587716175 DJRWMZTUMHAPPH-XLFHBGCDSA-N 368.221 4.231 10 1 FICF CN(Cc1cc(-c2ccc(F)cc2)ccc1O)C[C@@H](O)c1ccccc1 15004695 QNQYBLSIMDXKST-JOCHJYFZSA-N 351.421 4.364 10 1 FICF COC(=O)c1cc2c(c(O)c1O)[C@H](C)CC[C@@H]2[C@@H](C)CCC[C@H](C)CO 2356422959 LEWXVCOQFFOSMG-BYNSBNAKSA-N 364.482 4.300 10 1 FICF CO[C@@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccccn1)=C2c1ccccc1 96934700 CSPNPKODKGANTC-XUZZJYLKSA-N 367.404 4.087 10 1 FICF COc1ccc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]23)cc1[N+](=O)[O-] 169307771 MDGJBZYEXRQXNJ-BIENJYKASA-N 367.361 4.338 10 1 FICF Oc1ccc2c(c1)nc(O)c1c2oc2ccc(O)c(CN3CCCCC3)c21 2382240138 RHTLJTICPOXSEG-UHFFFAOYSA-N 364.401 4.237 10 1 FICF COc1cccc(-n2ncc3c(/N=N/Cc4ccccc4OC)ncnc32)c1 169685253 TXVCCNHUJMSWCZ-WJTDDFOZSA-N 374.404 4.117 10 1 FICF CC(C)[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2cc(Cl)ccc2O)N1 4729612 SRVKWLXVSOAVPE-UZLBHIALSA-N 372.852 4.280 10 1 FICF CC1=C/C(=C2\C(=O)N(c3ccccc3)N=C2C)OC(=O)N1c1ccccc1 29060994 IWVIAQATQSFURE-VHEBQXMUSA-N 359.385 4.224 10 1 FICF Cc1ccc(O)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587824362 ZZAHJZCEGDHSJS-ZMZPIMSZSA-N 364.258 4.400 10 1 FICF Nc1ccc(OCCCN[C@H]2CCC[C@@H]2CCCCCCC(=O)O)cc1 28007712 DJWGVYPFOAFSJA-PXNSSMCTSA-N 362.514 4.221 10 1 FICF O=C(N=Nc1c(O)[nH]c2ccc(Br)cc12)c1ccc(O)cc1 617960146 IDEQCWFCUOTPNZ-UHFFFAOYSA-N 360.167 4.266 10 1 FICF COc1cc(C(C)C)cc(CN(C)CCc2ccc([N+](=O)[O-])cc2)c1O 28391445 XKEVVZPREDEKGN-UHFFFAOYSA-N 358.438 4.107 10 1 FICF in-vivo CC(C)n1c(O)c(/N=N\C(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 12499571 FMYIKMKBBNKXQV-NFFVOIMASA-N 365.389 4.378 10 1 FICF COc1ccc([C@H]2CC(=O)N(c3ccc(N)cc3)C2)cc1OC1CCCC1 34095918 XZCUZLXUBWOTCO-INIZCTEOSA-N 366.461 4.119 10 1 FICF COc1ccc2c(c1)[C@@](C)(c1cc(Cl)c(O)cc1O)N(C(C)C)CC2 962093028 SFZAVTWZTMWSGG-FQEVSTJZSA-N 361.869 4.290 10 1 FICF Cc1cc2c(c(O)c1Br)C(=O)C(=O)[C@]1(C)CC[C@H](C(C)C)[C@H]21 28526459 LJUSWSWJFIZLDY-AJAPIDPKSA-N 365.267 4.384 10 1 FICF biogenic c1ccc(Nc2nc(/N=N/Cc3ccco3)nc(N3CCCCC3)n2)cc1 169689324 UHZMQTYUZMLRCZ-LKUDQCMESA-N 363.425 4.482 10 1 FICF C[C@@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)n1cc(Cl)cn1 587082375 PLHYHTHHVWQTAA-NSHDSACASA-N 353.813 4.397 10 1 FICF COc1cc(C(=O)Nc2ccc(-c3ccccc3)cc2F)cc(O)c1O 82156744 IGRXRIHMLHHKQY-UHFFFAOYSA-N 353.349 4.165 10 1 FICF COc1ccc(N(CCCOc2ccc3ccccc3c2)CC(=O)O)cc1 29132176 WDJVOGCJGRTLDG-UHFFFAOYSA-N 365.429 4.209 10 1 FICF CC(=O)Nc1sc(-c2cc3c4c(cccc4n2)CC3)c(C)c1C(=O)O 587217780 ZIURNBCILTVRGF-UHFFFAOYSA-N 352.415 4.027 10 1 FICF COc1ccc2cc(C(=S)c3cc(OC)c(OC)c(OC)c3)oc2c1 45352581 XMBFSNIERHIDRG-UHFFFAOYSA-N 358.415 4.234 10 1 FICF O=C(CN1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S)c1ccccc1 1857594722 UBOOTLFOYILSQZ-MHWRWJLKSA-N 373.886 4.424 10 1 FICF Oc1ccc(-c2csc(=NCc3ccc(C(F)(F)F)cc3)[nH]2)cc1O 1857763040 XNDSDCFGAHCEPS-UHFFFAOYSA-N 366.364 4.274 10 1 FICF CCOC(=O)/C(=C/CC(=O)C(=O)c1ccccc1)Sc1ccccc1 169712692 USIPOOZJJBPQTP-JXAWBTAJSA-N 354.427 4.068 10 1 FICF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc4c(c3)CCC4)CC1)O2 587393413 ICFLERXTYIJGCP-UHFFFAOYSA-N 362.473 4.070 10 1 FICF CC[C@@]1(c2cc(Cl)c(C)cc2O)NC[C@H]2CC(=O)N(C)c3cccc1c32 963030643 OBATUWJIMINUGM-LRTDBIEQSA-N 370.880 4.061 10 1 FICF Cc1ccc(-c2ccc(F)cc2)n1-c1cccc([C@@H]2C[C@@H](O)CC(=O)O2)c1 26836203 NRTHZCAQMYJGGO-CTNGQTDRSA-N 365.404 4.331 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(F)c2O)N1 587716173 DJRWMZTUMHAPPH-VVVCHXIZSA-N 368.221 4.231 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)cc2)N1 587756618 RJPBRJBDZIEGDM-ZMZPIMSZSA-N 363.274 4.278 10 1 FICF CCOC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)N=C1C 101955733 UGRGUPFCKQNLBD-WOJGMQOQSA-N 368.408 4.424 10 1 FICF COc1cc(C2=CCCCc3c2ccc2c3CCN2C)cc(OC)c1OC 1772593039 AXRIDBBPNAYKEZ-UHFFFAOYSA-N 365.473 4.473 10 1 FICF CN(C)Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587501279 BSYWQPAOVZRHJZ-OAQYLSRUSA-N 351.446 4.039 10 1 FICF CCOC(=O)Cc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922690 SGHNBHWLWFUCNZ-UHFFFAOYSA-N 358.438 4.462 10 1 FICF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587819488 ANEDJXAZJYBCPJ-ZMZPIMSZSA-N 364.258 4.400 10 1 FICF CC(C)OC(=O)/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12 1857766339 CVRJIUHNQCLZRL-VMPITWQZSA-N 354.358 4.181 10 1 FICF Nc1ccc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)nc1 224763968 CBFWXBFGRXLIFV-UHFFFAOYSA-N 373.391 4.301 10 1 FICF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4ncccc4C)c1C)[C@@H](C2)C3=O 587431500 PCQZVDWIMKDDRH-PGRDOPGGSA-N 374.440 4.295 10 1 FICF Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)[nH]c2n1 587275228 AHJQCHLHOFAHLJ-SUNYJGFJSA-N 361.405 4.309 10 1 FICF CCc1ccc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587823212 SRWRDICZIHJSPU-MGNBDDOMSA-N 364.258 4.480 10 1 FICF NCC(CN)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26822769 GZPBZXLMZZXOGT-UHFFFAOYSA-N 356.473 4.208 10 1 FICF CCn1c(O)c(/N=N/C(=O)c2cccnc2)c2cc(Br)ccc21 101480085 ULVGOCUAQWMGRK-FMQUCBEESA-N 373.210 4.448 10 1 FICF CSc1ncc(CN2CCC(N(C)Cc3cccc(F)c3)CC2)s1 299865542 UGFRSAZCWBXNHW-UHFFFAOYSA-N 365.543 4.101 10 1 FICF COc1cc(/C=C\c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(O)c1O 587785958 QKMNDNHDINXQJG-IHWYPQMZSA-N 351.189 4.460 10 1 FICF CCN(CC)Cc1cc(-c2ccc([C@@H](C)C(=O)OC)cc2F)ccc1O 1857558826 NQDQAYUGMYNDEF-CQSZACIVSA-N 359.441 4.317 10 1 FICF CCCN(CCNC(=O)/N=N/c1ccc(F)cc1)C1Cc2ccccc2C1 473109206 QWZZJNNQJSVEEN-OCOZRVBESA-N 368.456 4.498 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(N(C)C)cc2)N1 587752627 DXBPFVAVZJUJGH-BBATYDOGSA-N 363.274 4.278 10 1 FICF C[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=[N+]=[N-])C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13540167 MLPGZRVFTNWGPH-UXJQAVHOSA-N 358.526 4.124 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(F)c2O)N1 587722588 SXYXANZMVUGXDX-KWKYVRJSSA-N 372.184 4.196 10 1 FICF COc1cc(C/N=N/c2nc(C)nc3c2cnn3-c2ccccc2)ccc1O 169688300 XLTXBGRHQCDFRC-NJNXFGOHSA-N 374.404 4.122 10 1 FICF NCCCCCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 28640054 KYHUTPXONOZYFC-UHFFFAOYSA-N 360.457 4.122 10 1 FICF Cc1ccc(O)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587824360 ZZAHJZCEGDHSJS-BBATYDOGSA-N 364.258 4.400 10 1 FICF CCOc1n[nH]c(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1Cl 587065797 ZFNIUIDCLOGJEH-UHFFFAOYSA-N 369.812 4.380 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(C)c3[nH]1)[C@H]1CC=C[C@@H]21 587275234 AIIAKZKGSPJTAZ-TYILLQQXSA-N 361.405 4.309 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(F)c2O)N1 587715293 BXFMMRLKUNHQLV-NZFNHWASSA-N 372.184 4.196 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cccc2F)N1 587723682 YPUOLMAPPQDESM-VPTHRUTESA-N 354.194 4.057 10 1 FICF COc1ccc2c(c1)C(=O)c1cc(-c3cccc(C(F)(F)F)c3)nnc1-2 13743563 YWTWKPBBWASJFY-UHFFFAOYSA-N 356.303 4.382 10 1 FICF COc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc(OC)c1 1857774113 CYVSDGQFBVPTLL-VCHYOVAHSA-N 356.809 4.163 10 1 FICF Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCOCC1 100677654 ORZXMSZHPHCTBO-UHFFFAOYSA-N 369.852 4.170 10 1 FICF CC(=O)c1cccc2c1C(=O)c1c(OCc3ccccc3)cccc1C2=O 103243267 GWEGIXNTOBSXBG-UHFFFAOYSA-N 356.377 4.244 10 1 FICF CN(C)c1ccc(/N=N/c2nc(OCc3ccccc3)c3nc[nH]c3n2)cc1 95594214 NLCHIPOIIKLKKA-OCEACIFDSA-N 373.420 4.413 10 1 FICF Nc1nn(-c2nc3ccccc3s2)c(N)c1/N=N/c1ccc(F)cc1 98082205 VYLCUWHJURVXIX-QURGRASLSA-N 353.386 4.201 10 1 FICF COC(=O)c1cc2c(c(O)c1O)[C@H](C)CC[C@H]2[C@@H](C)CCC[C@H](C)CO 169640521 LEWXVCOQFFOSMG-XQLPTFJDSA-N 364.482 4.300 10 1 FICF CN1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 35982742 IEYKUJATGFZIHM-LJQANCHMSA-N 359.425 4.223 10 1 FICF Cc1ccc(-c2ccc(F)cc2)n1-c1ccc([C@@H]2C[C@@H](O)CC(=O)O2)cc1 26836199 AJEIONSXDYSIJV-CTNGQTDRSA-N 365.404 4.331 10 1 FICF Cc1c(OCc2nnc(S)o2)ccc2c(-c3ccccc3)cc(=O)oc12 64503765 PWYFUUQNXYDEPJ-UHFFFAOYSA-N 366.398 4.019 10 1 FICF CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1/N=N/C(=O)c1cccnc1 103961926 XAAYVISEOVKXDE-OCOZRVBESA-N 373.416 4.369 10 1 FICF Oc1ccc(-c2csc(=NCc3ccccc3C(F)(F)F)[nH]2)cc1O 1857644388 VOHSBXNTRXVMEE-UHFFFAOYSA-N 366.364 4.274 10 1 FICF COc1cccc2c1[C@H](C=Cc1ccccc1)[C@H]([C@H](O)CN=[N+]=[N-])OC2 1857622475 WQGWJXORQCSWKT-SQGPQFPESA-N 351.406 4.062 10 1 FICF Cc1cc2c(O)nc(CSC(=S)NCc3ccccc3)nc2s1 1857744709 FVDGAYSAXHEUPY-UHFFFAOYSA-N 361.517 4.013 10 1 FICF COc1c(-c2ccccc2)oc2c(O)c(O)c(CC=C(C)C)c(O)c2c1=O 28476381 RFTHDRZRKCLBEU-UHFFFAOYSA-N 368.385 4.094 10 1 FICF COc1cccc(-n2ncc3c(/N=N/[C@H](C)c4ccncc4)ncnc32)c1 169685286 RCDPINCYPCBQQS-YSMKLKLISA-N 359.393 4.064 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(F)c2O)N1 587719694 LOIYRFIMKVQRSB-VVVCHXIZSA-N 368.221 4.231 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(C)c3[nH]1)[C@@H]1CC=C[C@@H]21 587275232 AIIAKZKGSPJTAZ-LPMFXHHGSA-N 361.405 4.309 10 1 FICF CN1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C)C[C@@H]21 27518355 RNJMQIMWRPXIRE-BSIFCXSSSA-N 366.505 4.014 10 1 FICF Nc1nn(-c2nc3ccc(F)cc3s2)c(N)c1/N=N/c1ccc(F)cc1 98082208 UXSAFFXXBVXODU-GHVJWSGMSA-N 371.376 4.340 10 1 FICF Cc1ccc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587821784 JZYGYARAAOZUEO-DYZYQPBXSA-N 350.231 4.226 10 1 FICF CCCC[C@H]1Cc2cc(OC)ccc2-c2n1c1ccc(OC)cc1[n+]2C 1662021 HSMJYCXHPBGBRK-INIZCTEOSA-N 351.470 4.437 10 1 FICF COc1ccc2c(c1Cl)CN1CN2Cc2c1ccc(OC)c2Cl 103179613 ADANHKQAHUZHCC-UHFFFAOYSA-N 351.233 4.308 10 1 FICF Oc1ccc2c(c1O)C[C@@H](C1CCCCC1)O[C@H]2CNCc1ccccc1 13823836 CDEXVBIHAFJWIQ-VXKWHMMOSA-N 367.489 4.450 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)cc2)N1 587752632 DXBPFVAVZJUJGH-ZMZPIMSZSA-N 363.274 4.278 10 1 FICF Oc1csc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962637804 KCKIAKOMUGVOJJ-PGRDOPGGSA-N 362.498 4.290 10 1 FICF CCOc1ccc(O)c([C@@]2(C(F)(F)F)NCCc3cc(C)c(F)cc32)c1 962095885 XEUIPLKHDMCIBX-SFHVURJKSA-N 369.358 4.190 10 1 FICF O=C(COc1ccccc1Br)N=Nc1c(O)[nH]c2ccccc12 617960135 BEYWGJXOMSGDPT-UHFFFAOYSA-N 374.194 4.325 10 1 FICF CN1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C)C[C@@H]21 27518354 RNJMQIMWRPXIRE-PBEJRMEISA-N 366.505 4.014 10 1 FICF Oc1ccc(Br)cc1CNCC12CC3CC(CC(C3)C1)C2 299864390 MJRBHHIPIKWEIT-UHFFFAOYSA-N 350.300 4.461 10 1 FICF Cc1cnc(SC[C@@]2(c3cccs3)NCCc3ccc(O)cc32)s1 963329392 NPVZQSCNEOICLF-GOSISDBHSA-N 374.556 4.400 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)cc2)N1 587756616 RJPBRJBDZIEGDM-BBATYDOGSA-N 363.274 4.278 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2O)N1 587734809 VWCNSGBKIQPETE-XLFHBGCDSA-N 368.221 4.231 10 1 FICF CCCCCCc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O 45356720 OVIAPIYJHWCWDG-UHFFFAOYSA-N 370.401 4.405 10 1 FICF C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2Cc1ccc(N(C)C)cc1 13740365 NXZXVKFNKILKQT-XARZLDAJSA-N 350.506 4.183 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2O)N1 587842819 GGZBTQXSODZPJO-AYVTZFPOSA-N 356.260 4.153 10 1 FICF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(Cl)cc(Cl)c1O 963634131 JOEVPZCBACIWHG-HUTHGQBESA-N 368.260 4.340 10 1 FICF Oc1ccc(Nc2nnc(Cl)c3ccccc23)cc1CN1CCCC1 27891805 FFAZNXOWOVXWHT-UHFFFAOYSA-N 354.841 4.328 10 1 FICF CCN(CC)c1ccc([C@H]2COC(=O)N2c2ccc3[nH]cnc3c2)cc1 116193985 BYQZAHIVCADZCY-LJQANCHMSA-N 350.422 4.107 10 1 FICF Cc1cc(-c2csc(-c3c[nH][nH]c3=N)n2)c(C)n1-c1ccccc1F 587922555 QCCCYEMOXHWVBY-UHFFFAOYSA-N 353.426 4.159 10 1 FICF COc1cccc2cc3c(nc12)[C@@](C)(c1cc2c(cc1O)CCCC2)NCC3 963047428 PZJYUTGZYJOXJG-XMMPIXPASA-N 374.484 4.237 10 1 FICF Cc1ncsc1CCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587028551 VYDJMVCWCXRBIK-UHFFFAOYSA-N 350.447 4.488 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cccc2F)N1 587719231 KRIGSKAACLXOIU-BCTVWOGZSA-N 354.194 4.057 10 1 FICF COC(=O)c1cc2c(c(O)c1O)[C@H](C)CC[C@@H]2[C@H](C)CCC[C@H](C)CO 2356422960 LEWXVCOQFFOSMG-GBJTYRQASA-N 364.482 4.300 10 1 FICF CCOC(=O)c1ccc2oc(/C=C/C=C/c3ccc(O)c(O)c3)nc2c1 27298649 QXGNTEBDJQWOHG-GGWOSOGESA-N 351.358 4.142 10 1 FICF CCCCC(=O)NC(NC(=O)CCCC)c1ccc(N(CC)CC)cc1 95577410 NXSGZPGJDDGAMJ-UHFFFAOYSA-N 361.530 4.144 10 1 FICF C/C(=C1/SC(NC#N)=NC1=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 13734211 LKBAFEZJUPGYBI-WJDWOHSUSA-N 371.506 4.418 10 1 FICF CCCOc1ccc(N2CC(c3ccc(C[C@@H](C)NC(C)=O)cc3)C2)cc1 145742369 GJQDVNBOTIKJBR-QGZVFWFLSA-N 366.505 4.146 10 1 FICF COc1ccc(-n2c3c(c4cc(O)ccc42)C(=O)c2ccccc2C3=O)cc1 1663331 MPGVIOWYTHZIOG-UHFFFAOYSA-N 369.376 4.120 10 1 FICF COc1ccc(-c2coc3c(O)c(O)c(CC=C(C)C)cc3c2=O)c(O)c1 1772644223 DBAUYUVGQMJWTR-UHFFFAOYSA-N 368.385 4.094 10 1 FICF COc1cc(O)c(-c2ccc3c(c2O)[C@@H](C)N[C@H](C)C3)c2cccc(O)c12 95486316 RCBMZBBWDFPGEI-VXGBXAGGSA-N 365.429 4.227 10 1 FICF biogenic,in-vitro CCC(=O)c1cc(/N=N/c2cc(S(=O)(=O)O)c(C)cc2C)ccc1O 169322303 ZRKJPFOEBRYPLC-VHEBQXMUSA-N 362.407 4.264 10 1 FICF COC(=O)[C@]12CCCC(C)(C)[C@@H]1CC(=O)c1cc(C(C)C)c(O)c(O)c12 238746374 PMVQDYBTFTZMHF-YCRPNKLZSA-N 360.450 4.045 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(F)c2O)N1 587714850 BTHSTSQPPHLHDS-VXJOIVPMSA-N 354.194 4.057 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(F)c2O)N1 587721999 XLYJQWQRAMROQT-MLXNANBUSA-N 372.184 4.196 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(O)cc3[nH]1)[C@@H]1CC=C[C@H]21 587275615 FAZVLGCLJHWHFZ-KSMMKXTCSA-N 362.389 4.312 10 1 FICF COc1ccc(C=O)cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587787946 TWHWSAVZWAXAOQ-UHFFFAOYSA-N 359.385 4.426 10 1 FICF O=C(c1ccccc1)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O 653792856 CICXWCVNYKMIRV-UHFFFAOYSA-N 352.798 4.408 10 1 FICF O=c1cc(-c2ccc(O)cc2)oc2ccc(O)c(CN3CCCCCC3)c12 2382258059 LXRSXGQUAUULJB-UHFFFAOYSA-N 365.429 4.247 10 1 FICF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587118337 PCBBQPVLSTVJBQ-UHFFFAOYSA-N 373.338 4.357 10 1 FICF Cc1cc(F)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587730709 XSDCOGDDGMOAHJ-XXFAHNHDSA-N 368.221 4.365 10 1 FICF O=c1oc2ccc(O)cc2c2oc3ccc(O)c(CN4CCCCC4)c3c12 1857570986 OITCSCBZKWMXOZ-UHFFFAOYSA-N 365.385 4.090 10 1 FICF O=[N+]([O-])c1cc(Cl)cc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c1O 963113184 VOJQKEBFQMKAGG-CQSZACIVSA-N 373.623 4.496 10 1 FICF CCOC(=O)c1c(O)csc1Nc1ccc(Br)cc1C 169730435 SWVRJYZSDAHSNG-UHFFFAOYSA-N 356.241 4.445 10 1 FICF COC(=O)/C=C/c1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1 299838586 QQJYJVZBMJQJJP-KTYKIUSQSA-N 363.438 4.242 10 1 FICF O=C(c1ccccc1)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(O)cc1 45336411 YTIZNQVDYYEKID-HXUWFJFHSA-N 358.397 4.089 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2O)N1 587732521 NTDOZYIBCYBBQK-HUTHGQBESA-N 368.221 4.231 10 1 FICF O=C1c2ccccc2C(=O)N1c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 45299228 ZPSXLDRGOUALHZ-AATRIKPKSA-N 357.365 4.069 10 1 FICF COC(=O)c1cc(/N=N\c2c(C)[nH]c3ccccc23)cc(C(=O)OC)c1 6825062 IFOLSFOOWQDBTN-DQRAZIAOSA-N 351.362 4.465 10 1 FICF Cc1ccccc1[C@@H]1CC(c2ccc(O)cc2)=NN1C(=O)c1cccnc1 45260241 CAPQWYLERAGWRX-NRFANRHFSA-N 357.413 4.087 10 1 FICF CCc1ccc(O)c([C@@]2(C)c3cc(OC)c(OC)cc3C[C@H](C)N2C)c1 962561678 DQYBMSJYQTYYFK-RCDICMHDSA-N 355.478 4.112 10 1 FICF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1cc(C)c2c(c1O)CCC2 963636479 RFMRFQSXWRBLFE-FATZIPQQSA-N 367.489 4.004 10 1 FICF Cc1ccc(-c2ccc(F)cc2)n1-c1ccccc1[C@@H]1C[C@@H](O)CC(=O)O1 26831212 KHSMWSDWTINZRY-UTKZUKDTSA-N 365.404 4.331 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)ccnc3[nH]1)[C@@H]1CC=C[C@H]21 587277146 PRJABUOGTFSKBW-IYOUNJFTSA-N 361.405 4.309 10 1 FICF O=c1cc(-c2ccc(O)cc2)oc2ccc(O)c(CNC3CCCCC3)c12 2382250212 KWAZYEPWEIUZFX-UHFFFAOYSA-N 365.429 4.294 10 1 FICF Nc1ccc(/C=C\c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587251702 LWCUKNSVRUFOJO-GHXNOFRVSA-N 365.392 4.091 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(F)c2O)N1 587716984 FDJCLHQCYAACMG-KWKYVRJSSA-N 372.184 4.196 10 1 FICF COc1c(-c2ccc(O)cc2)cc(OC)c2c1oc1cc(O)c(O)cc12 13382940 LMJVXQOOTLMXHB-UHFFFAOYSA-N 352.342 4.387 10 1 FICF biogenic,in-vitro Cc1c2c(c3oc(-c4ccc(O)c(O)c4)cc(=O)c3c1O)C=CC(C)(C)O2 13437160 RYSJCVDFCLGDMM-UHFFFAOYSA-N 366.369 4.069 10 1 FICF biogenic Cc1ccc(O[C@H](C)C(=O)/N=N\c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 13544034 JWRSZJDHFCTUEJ-WANFZGCHSA-N 368.349 4.168 10 1 FICF Cc1nccn1Cc1c(O)ccc2c1nc(CSc1ccccc1)n2C 64550014 MABBYTQLPAWTME-UHFFFAOYSA-N 364.474 4.124 10 1 FICF COc1cccc(-c2ccc(O)c(CNC[C@@H]3C[C@H]4C=C[C@H]3C43CC3)c2)n1 299811267 ZAUWQSSTBZGPNN-QXAKKESOSA-N 362.473 4.155 10 1 FICF Cc1ccc(O)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587824238 YZXRWNBISNKAED-QGHHPUGFSA-N 350.231 4.226 10 1 FICF CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)c1ccc(Cl)cc1 103020943 CVWOVBSWYMPGIY-BOPFTXTBSA-N 355.781 4.444 10 1 FICF COc1cccc2c1[C@@H](/C=C\c1ccccc1)[C@@H]([C@@H](O)CN=[N+]=[N-])OC2 169332609 WQGWJXORQCSWKT-CYDVEYMRSA-N 351.406 4.062 10 1 FICF Cc1cc(F)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587730705 XSDCOGDDGMOAHJ-ABKXIKBNSA-N 368.221 4.365 10 1 FICF Cc1cc(O)c2c(c1Br)[C@@H]1[C@H](C(C)C)CC[C@@]1(C)C(=O)C2=O 2356801292 RLTGEHPNJVMPKI-MWJQBAMBSA-N 365.267 4.384 10 1 FICF N[C@@H](Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)C(=O)O 5162774 SAFOWDFBJHHCLR-SFHVURJKSA-N 357.413 4.086 10 1 FICF CN(CCO)c1ccc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1 587192730 AGONCSFZTJTBTC-UHFFFAOYSA-N 369.774 4.331 10 1 FICF COc1ccc(-c2cc3c(n2-c2ccc(O)c(C(=O)O)c2)CCCC3)cc1 39194362 WPVMJVSAKWEMQK-UHFFFAOYSA-N 363.413 4.436 10 1 FICF COc1cccc(/N=N\c2c(N)nn3c(O)cc(-c4ccccc4)nc23)c1 102656801 QWZDAYOWZVUNRA-FCQUAONHSA-N 360.377 4.108 10 1 FICF CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1N=NC(=O)c1ccncc1 299811836 SFWCQALOLWIKBC-UHFFFAOYSA-N 373.416 4.369 10 1 FICF NC(=O)/N=N\c1c(O)n(Cc2ccccc2)c2ccc(Br)cc12 102565585 OLQPODISFFMNOC-VXPUYCOJSA-N 373.210 4.320 10 1 FICF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3c(Cl)ncnc3[nH]1)N2 587078354 OOJNWAWIIOZXFY-CWSCBRNRSA-N 358.232 4.486 10 1 FICF CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccccc1O 103175633 VKSQWDYIDVONRW-SFHVURJKSA-N 366.442 4.252 10 1 FICF O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)S/C1=C\c1ccc2ncccc2c1 28821318 FITGAYHGSUWBQP-VBNMPBEYSA-N 371.465 4.351 10 1 FICF CCCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)[C@H]31 95554197 RUGPNNUITLXLAI-NRFANRHFSA-N 361.445 4.104 10 1 FICF Cc1ccc(O[C@@H](C)C(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 101685098 JWRSZJDHFCTUEJ-BMQZVHBQSA-N 368.349 4.168 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2O)N1 587735560 XSJVSQDQTJWRQV-PWJLMRLQSA-N 354.194 4.057 10 1 FICF [N-]=[N+]=NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 36216089 RGZOOSYCWFJTNO-UHFFFAOYSA-N 363.465 4.037 10 1 FICF CC(C)=CCc1c(O)c(O)cc2c1oc1c3ccc(O)cc3oc(=O)c21 43014220 HGNIAVOXTWPXCX-UHFFFAOYSA-N 352.342 4.318 10 1 FICF biogenic COc1cc(/C=C/c2nc3cc(Cl)c(Cl)cc3[nH]2)cc(O)c1O 587785929 PWELYRJKUJXVEM-NSCUHMNNSA-N 351.189 4.460 10 1 FICF COC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)N=C1C 101738776 NPHPJKZQXBQOSY-MHWRWJLKSA-N 354.381 4.034 10 1 FICF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587823027 SBYMXAMNJIZGDA-BMLIUANNSA-N 350.231 4.226 10 1 FICF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587819486 ANEDJXAZJYBCPJ-BBATYDOGSA-N 364.258 4.400 10 1 FICF O=C(c1cccs1)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O 653700241 BNSHPGPDJXFFJO-UHFFFAOYSA-N 358.827 4.469 10 1 FICF Nc1ccc(Oc2ccc3nc([C@@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)cc1 587157307 SHBMTLMIQWLWEZ-HTAPYJJXSA-N 374.419 4.418 10 1 FICF CCO[C@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@H]1OC3=O 100886979 HEUIVINVBVPWCU-VWNVYAMZSA-N 374.477 4.302 10 1 FICF biogenic CCn1c(O)c(/N=N\C(=O)c2cccnc2)c2cc(Br)ccc21 102602597 ULVGOCUAQWMGRK-VXPUYCOJSA-N 373.210 4.448 10 1 FICF O=C(NCCSCc1cccc(O)c1O)c1c(Cl)cccc1Cl 49803194 TXJZEXAOEFYOOO-UHFFFAOYSA-N 372.273 4.068 10 1 FICF CCCN1CCc2cc(OCCCF)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 66074305 RONFPASSWXANLI-GOSISDBHSA-N 371.452 4.369 10 1 FICF CCS(=O)(=O)c1ccc(OC)c(/N=N\c2ccc(O)c3ncccc23)c1 102367262 FGANNBMGTBZWGA-MRCUWXFGSA-N 371.418 4.158 10 1 FICF COc1cc2c(/C=C3/C(=O)Nc4ccc(O)cc43)c(Cl)n(C)c2cc1C 28655914 TXLOFCLJMMXZRD-OVCLIPMQSA-N 368.820 4.347 10 1 FICF CN(C)c1ccc(-c2nc3ccc(I)cc3o2)cc1 34648173 ZDGRIJNRIGFCGI-UHFFFAOYSA-N 364.186 4.165 10 1 FICF Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccccc1C(F)(F)F 473153528 BOWXASOYPQCKAZ-ZSOIEALJSA-N 366.364 4.437 10 1 FICF Nc1ccc(Oc2ccc3nc([C@@H](N)c4ccc(F)cc4F)[nH]c3c2)cc1 587150149 KNHPXGAIRMUWTG-IBGZPJMESA-N 366.371 4.264 10 1 FICF Oc1ccc2ccccc2c1[C@H](c1ccc(F)cc1)N1CCC(O)CC1 72179411 RAUNONDSHFMQEC-QFIPXVFZSA-N 351.421 4.231 10 1 FICF COc1ccc(N2C(=O)c3c(C)c(OC)cc(O)c3[C@@H]2c2ccco2)cc1 28950857 KRBMLECTQYULGM-FQEVSTJZSA-N 365.385 4.061 10 1 FICF COc1ccc(Cl)c2c1CCN[C@@H]2c1cc(Br)ccc1O 963257567 KTRWHNDVFNJUHJ-MRXNPFEDSA-N 368.658 4.052 10 1 FICF Cc1cccc(Cn2c3c(c4cc(O)ccc42)C(=O)c2ccccc2C3=O)c1 1662851 DDPOBCPINAPMDG-UHFFFAOYSA-N 367.404 4.479 10 1 FICF Oc1cc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc(O)c1O 58583398 RAWHJJQYDORXAN-UHFFFAOYSA-N 359.385 4.026 10 1 FICF COc1ccc(C/N=N/c2ncnc3c2cnn3-c2cccc(OC)c2)cc1 169685255 CCLPAWRDACNWRI-WJTDDFOZSA-N 374.404 4.117 10 1 FICF [N-]=[N+]=NCCOCCOc1ccc(-c2cc(=O)c3ccccc3o2)cc1 222433754 JFEKYQYTYUYGEH-UHFFFAOYSA-N 351.362 4.166 10 1 FICF Cc1ccc(Cn2c(/C=C/c3cccnc3)nc3ccccc3c2=O)cc1 72139595 NAEBBVWSLPTBMN-OUKQBFOZSA-N 353.425 4.319 10 1 FICF Cc1ccc(O[C@@H](C)C(=O)/N=N\c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 13544036 JWRSZJDHFCTUEJ-TWAVRXATSA-N 368.349 4.168 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(O)c3[nH]1)[C@H]1CC=C[C@H]21 587277654 ZOGPHRSPOVAHNE-LXIYXOSZSA-N 362.389 4.312 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc(F)c2F)N1 587714975 GSORCUMCUAHTDJ-QZTNRIJFSA-N 372.184 4.196 10 1 FICF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587823060 SEZYLFVKJKFKHR-BBATYDOGSA-N 364.258 4.400 10 1 FICF CC(=O)N1N=C(c2ccc(OCC=C(C)C)cc2O)C[C@H]1c1ccccc1 64526684 KYSYWSYEMSOXEN-NRFANRHFSA-N 364.445 4.435 10 1 FICF Nc1ccc(Oc2ccc3nc(Cc4csc5nccn45)[nH]c3c2)cc1 587039198 AVRZBXQOFJPCNO-UHFFFAOYSA-N 361.430 4.237 10 1 FICF CN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2cccc(C(F)(F)F)c2)C1 27109356 FHMYZHSQBKVASB-CQSZACIVSA-N 371.786 4.390 10 1 FICF CC(C)n1c(O)c(/N=N\C(=O)[C@H]2COc3ccccc3O2)c2ccccc21 13371715 FMYIKMKBBNKXQV-KTVWJZFRSA-N 365.389 4.378 10 1 FICF COc1cc(/C=C/c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(O)c1O 587786817 YEEPVEWLUCAXCP-GORDUTHDSA-N 366.295 4.052 10 1 FICF Nc1ccc(Oc2ccc3nc(Cc4ccc(CC(=O)O)cc4)[nH]c3c2)cc1 587962776 YKVOEVDEDMQGGM-UHFFFAOYSA-N 373.412 4.155 10 1 FICF CC1=C/C(=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)N(c2ccccc2)N1 104021399 OCTYPYVHDRJCAK-VHEBQXMUSA-N 364.836 4.245 10 3 FICF COc1cccc2c1[C@H](/C=C\c1ccccc1)[C@H]([C@@H](O)CN=[N+]=[N-])OC2 195340999 WQGWJXORQCSWKT-KYGGCNGOSA-N 351.406 4.062 10 1 FICF O=C(Cc1nc2ccccc2nc1CC(=O)c1ccccc1)c1ccccc1 95482934 LXUOLXRAUIFAEF-UHFFFAOYSA-N 366.420 4.481 10 1 FICF biogenic CN(C)c1ccc(-c2nc3ccc([125I])cc3o2)cc1 103067306 ZDGRIJNRIGFCGI-RFLHHMENSA-N 362.187 4.165 10 1 FICF COc1ccc(OCC(=O)/N=N/c2c(O)[nH]c3ccc(Cl)cc23)cc1 103961426 IAIBJVCQSRKQAW-QZQOTICOSA-N 359.769 4.225 10 1 FICF O=C(O)[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@H]1CC=C[C@@H]31 4131754 LBDYSHXIVYPQCI-WOIDLZKHSA-N 372.262 4.055 10 1 FICF O=C(c1ccccc1NCc1ccc2[nH]cnc2c1)c1n[nH]c2ccccc12 40878677 VTGTUKGXWKZUEG-UHFFFAOYSA-N 367.412 4.282 10 1 FICF CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc(Br)ccc1O 95558697 QXGHXMDUMZDMBV-QGZVFWFLSA-N 373.250 4.161 10 1 FICF COc1ccc([C@H]2COc3c(ccc(O)c3O)C2)c2c1C=CC(C)(C)O2 96902670 KNTUHDQKUKWCPM-CYBMUJFWSA-N 354.402 4.009 10 1 FICF biogenic CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2[C@H](OC(=O)c2ccc(O)c(O)c2)C1 13432181 ZIMLVLHAEPCXAJ-CZAYHTPWSA-N 374.477 4.167 10 1 FICF biogenic CC(=O)NCCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922568 QJGGJCHANFYKRR-UHFFFAOYSA-N 357.454 4.035 10 1 FICF Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc3c(c2)OCO3)cc1 140419229 IYCFMYBIPRJSRP-UHFFFAOYSA-N 352.342 4.261 10 1 FICF COC(=O)[C@H](C)c1ccc(-c2ccc(O)c(CN3CCCC3)c2)c(F)c1 1857595203 NJVJVLFXFOLWFT-CQSZACIVSA-N 357.425 4.071 10 1 FICF CCOc1ccc(N(C)Cc2cc(=O)oc3ccc(OCC)cc23)cc1 6743152 ZCVYNQQMMAXNGS-UHFFFAOYSA-N 353.418 4.227 10 3 FICF [N-]=[N+]=NCCCCCCc1nc2cc(Br)cc(C(=O)O)c2[nH]1 587259641 GLUKQJIELBSHAG-UHFFFAOYSA-N 366.219 4.437 10 1 FICF C[C@@]1(c2cc(F)ccc2O)c2cccc(F)c2CCN1[C@H]1CCSC1 962699004 DPTZHUWQOSTNHD-XOBRGWDASA-N 361.457 4.298 10 1 FICF CO[C@]12C(=O)c3ccccc3C(=O)[C@@H]1C(c1ccccn1)=C2c1ccccc1 96934699 CSPNPKODKGANTC-URXFXBBRSA-N 367.404 4.087 10 1 FICF COc1c([C@H]2CCCCN2C)c(O)cc2oc(-c3ccccc3)cc(=O)c12 2356330429 RKSINLCJJKCDFI-OAHLLOKOSA-N 365.429 4.331 10 1 FICF COc1c(F)ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1N 587132511 CFSMUSOBXHBYTP-UHFFFAOYSA-N 364.380 4.334 10 1 FICF COc1ccc2nc3ccc(COC(=O)c4ccccc4)cc3c(N)c2c1 58548810 RPKMXDFRSYJPDT-UHFFFAOYSA-N 358.397 4.336 10 1 FICF O=C(O)[C@@H]1CCN(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 1772622358 UQCQBIIVOAGZIQ-GFCCVEGCSA-N 366.244 4.483 10 1 FICF CSc1ncc(CN2CCC(N(C)Cc3ccc(F)cc3)CC2)s1 299862156 MNOGORCPSUFAGO-UHFFFAOYSA-N 365.543 4.101 10 1 FICF O=C(O)c1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 653795613 GBMKAWBYRBHVGK-IBGZPJMESA-N 371.396 4.235 10 1 FICF COc1cc(/C=C/c2nc3ccc(C(F)(F)F)cc3[nH]2)cc(O)c1O 587786701 VOHACTVVYWVJQF-GORDUTHDSA-N 350.296 4.172 10 1 FICF CC(C)n1c(O)c(N=NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21 254010407 FMYIKMKBBNKXQV-QGZVFWFLSA-N 365.389 4.378 10 1 FICF CC(=O)NCc1ccc([C@@H]2Nc3c(F)cc(F)cc3[C@@H]3C=CC[C@@H]32)cc1 84759284 JEEQDKMCZYKCCH-UWVAXJGDSA-N 354.400 4.427 10 1 FICF CN(CCO)c1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 587193239 VSPADLSNJBKUIM-UHFFFAOYSA-N 373.456 4.237 10 1 FICF CC[C@@]1(c2ccccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587831413 HGBDMAFZBQQPBM-ZMZPIMSZSA-N 364.258 4.482 10 1 FICF Cn1c(CSc2ccccc2)nc2c(CN3CCCC3)c(O)ccc21 64559469 DNMFRXLTYDJEBV-UHFFFAOYSA-N 353.491 4.167 10 1 FICF Cc1ccnc(-n2c(C)cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 587390356 PUARTLRGIWDZIC-FQEVSTJZSA-N 361.445 4.395 10 1 FICF O=C(c1ccccc1NCc1ccc2cn[nH]c2c1)c1n[nH]c2ccccc12 6718529 OLDFNICSZFBDDX-UHFFFAOYSA-N 367.412 4.282 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(N(C)C)cc2)N1 587756615 RJPBRJBDZIEGDM-ADLMAVQZSA-N 363.274 4.278 10 1 FICF C[C@@]1(CCc2ccc(O)c(O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587532238 JUVQWEZJKJYCED-JOCHJYFZSA-N 352.430 4.333 10 1 FICF Cc1c(Br)cc2[nH]c(-c3ccc(N(C)CCO)cc3)nc2c1C 587193114 SNZWZOQNGZFAQJ-UHFFFAOYSA-N 374.282 4.038 10 1 FICF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccc(O)c(O)c1C3 587206387 KBKAXCPLHJABSO-UHFFFAOYSA-N 351.361 4.429 10 1 FICF CN(C)c1ccc(C(=C2C=CC(N(C)C)C=C2)c2cccc(C(=O)O)c2)cc1 2356837052 LGEUNVOMUBEHAJ-UHFFFAOYSA-N 374.484 4.309 10 1 FICF O=C(c1ccccc1)c1cc(Cl)ccc1NCn1nnc2ccccc21 1633143 CVYBQZPOOPSHHE-UHFFFAOYSA-N 362.820 4.385 10 1 FICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cc(S)ccc3F)[nH]c21 587142867 OLMKDIVXCWDJQA-UHFFFAOYSA-N 374.396 4.433 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(N(C)C)cc2)N1 587752629 DXBPFVAVZJUJGH-VOJFVSQTSA-N 363.274 4.278 10 1 FICF COc1cc2c3c(c1)O[C@](CN=[N+]=[N-])(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587420526 IKQLVVCJFYPNQG-KBXCAEBGSA-N 355.781 4.302 10 1 FICF CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1cn(C[C@H]2CO2)c2ccccc12 653717492 WJWBXXJBEAQUSV-QVQQHXNLSA-N 371.440 4.155 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cc(F)cc2F)N1 587718852 JWVKGEHILWVGHD-HYORBCNSSA-N 372.184 4.196 10 1 FICF CC[C@]1(c2ccc(Br)cc2O)NCCc2cc(C)c(F)cc21 962090208 HMYCHEPIXWOUOI-GOSISDBHSA-N 364.258 4.402 10 1 FICF CNc1nc2cc(C(F)(F)F)ccc2n2c(-c3ccc(O)c(O)c3)cnc12 2382238953 PPOGUYSIDHDUAO-UHFFFAOYSA-N 374.322 4.021 10 1 FICF CC1(C)OC(=O)C(=CNc2ccc3sc4ccccc4c3c2)C(=O)O1 1772656764 VVFSQQDYTGXODT-UHFFFAOYSA-N 353.399 4.186 10 1 FICF CCCC[C@H]1Cc2cc(OC)ccc2-c2n1c1cc(OC)ccc1[n+]2C 5838449 BORSTIMQPSHGHB-INIZCTEOSA-N 351.470 4.437 10 1 FICF COc1cccc(CNCCCNc2ccnc3cc(Cl)ccc23)c1O 49067179 WCHSIPDJZJHXIL-UHFFFAOYSA-N 371.868 4.194 10 1 FICF COc1cc(/C=C\c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(O)c1O 587786816 YEEPVEWLUCAXCP-DJWKRKHSSA-N 366.295 4.052 10 1 FICF COc1cccc(C/N=N/c2ncnc3c2cnn3-c2cccc(OC)c2)c1 169685254 FYUVJQQTDBBGNB-WJTDDFOZSA-N 374.404 4.117 10 1 FICF COc1cc([C@@H]2c3cccc4cccc(c34)[C@H]3CCC(=O)N32)cc(O)c1O 1654648 XDONCFAHMRIQHS-IIBYNOLFSA-N 361.397 4.026 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(F)cc2O)N1 587712835 AKLGKDHGMPCWST-QZTNRIJFSA-N 372.184 4.196 10 1 FICF CCOC(=O)c1[nH]c2ccc(Cl)cc2c1/N=N\N1CCSCC1 102467834 DZIWULKUNIZNMX-HNENSFHCSA-N 352.847 4.046 10 1 FICF NC(=O)c1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1 587078470 RYRLGPNLQHJHEE-JCGVRSQUSA-N 364.836 4.142 10 1 FICF COc1cc(C)ccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587924876 GEXDGTVOPFTCMK-UHFFFAOYSA-N 368.392 4.322 10 1 FICF CN(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3)c3ncccc32)cc1 474609697 SRFCYCGHFFRDLB-QNGOZBTKSA-N 355.441 4.235 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)nccc3[nH]1)[C@H]1CC=C[C@@H]21 587277395 VGFYHIAUBDDXGW-TYILLQQXSA-N 361.405 4.309 10 1 FICF COC(=O)[C@H](C)c1ccc(-c2ccc(O)c(CN3CCCCC3)c2)c(F)c1 1857571546 BRKPMHZEPFHPJT-OAHLLOKOSA-N 371.452 4.461 10 1 FICF COc1cc2c(ccc3c4c(c(O)c(OC)c32)CN(C(C)C)CC4)cc1O 39161129 AWJWBWOWUNPLTO-UHFFFAOYSA-N 367.445 4.188 10 1 FICF in-vivo CC1(C)CC(=O)[C@H]2C(=Nc3ccccc3N[C@H]2c2cccc(O)c2O)C1 136915171 RLDJDBCCYQMCLV-MOPGFXCFSA-N 350.418 4.342 10 1 FICF Cc1nn(-c2ccccc2)c(O)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515710 OWCLLJLOCLITMK-HXUWFJFHSA-N 374.440 4.472 10 1 FICF O=C1c2ccccc2C(=O)c2sc(-c3nnc(-c4ccccc4)o3)cc21 1772634712 SOJIQCIIKRBKNN-UHFFFAOYSA-N 358.378 4.241 10 1 FICF Cc1ccc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587821780 JZYGYARAAOZUEO-BMLIUANNSA-N 350.231 4.226 10 1 FICF O=C(/C=C/c1ccccc1)N1CCc2c(Cl)c(O)c(O)c(Cl)c2C1 58581081 KXGLHDWZJMCBPY-VOTSOKGWSA-N 364.228 4.003 10 1 FICF CN1C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N(C)C)cc1 653840587 CLPDZGRIJGBFCH-BOPFTXTBSA-N 371.893 4.010 10 1 FICF CCc1ccc(O)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587822447 OFFSSMPQZOYGCZ-MGNBDDOMSA-N 364.258 4.480 10 1 FICF O=C(CCCNCc1cc(Cl)c2cccnc2c1O)Nc1ccccc1 1857617130 GPYUMRKOXLEEOM-UHFFFAOYSA-N 369.852 4.102 10 1 FICF COc1cccc(-n2nc(C)c3c(/N=N/[C@H](C)c4ccncc4)ncnc32)c1 169685288 ZKMVSTBPVHSXEJ-YSMKLKLISA-N 373.420 4.372 10 1 FICF CN(C)c1ccc(N=Nc2ccc(-c3nc4ncnc(N)c4[nH]3)cc2)cc1 587195357 IEDOOTQTICLOFB-UHFFFAOYSA-N 358.409 4.084 10 1 FICF O=C1c2ccccc2C(=O)c2c1cccc2-c1cnn([C@H]2CCCCO2)c1 1857596316 LTGUWMRGVHLGMM-LJQANCHMSA-N 358.397 4.025 10 1 FICF Cc1cc(C(=O)O)ccc1N1C(=O)/C(=C/c2ccccc2)SC1=S 28362031 PNYSVFQLTUWDBQ-GDNBJRDFSA-N 355.440 4.099 10 1 FICF COc1cccc(-n2ncc3c(/N=N/Cc4ccc(F)cc4)ncnc32)c1 169685258 JYTRDOZUVRQBDJ-WJTDDFOZSA-N 362.368 4.247 10 1 FICF O=C(N[C@H]1CCN(Cc2ccccc2O)C1)c1ccc(-c2ccccc2)cc1 45201565 VBFUDJPILYNEPZ-QFIPXVFZSA-N 372.468 4.064 10 1 FICF O=C(CSc1nc2ccccc2[nH]1)/N=N/c1c(O)[nH]c2ccccc12 13125767 RKZSGFXYNPECBB-QURGRASLSA-N 351.391 4.152 10 1 FICF COc1cc(Br)cc([C@H]2NCCc3c2sc(C)c3C)c1O 963027461 QBLHWWJDTQQGBV-CQSZACIVSA-N 368.296 4.077 10 1 FICF Oc1c([C@H](Nc2ncccn2)c2ccc(F)cc2F)ccc2cccnc12 1772650689 JTEKYRRZNWCLRX-GOSISDBHSA-N 364.355 4.210 10 1 FICF CCN(CC)Cc1ccc(NC2=C3C=CC(Cl)=C[C]3NC=C2)cc1O 2356849059 FDWIFKJGNCBVGG-UHFFFAOYSA-N 356.877 4.241 10 1 FICF N[C@H](Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1)C(=O)O 26849160 SAFOWDFBJHHCLR-GOSISDBHSA-N 357.413 4.086 10 1 FICF COc1cc2c(cc1Cl)N1Cc3cc(OC)c(Cl)cc3N(C2)C1 103179719 DVVASCXPVNZDOT-UHFFFAOYSA-N 351.233 4.308 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cnc3[nH]1)[C@H]1CC=C[C@@H]21 587275720 GANYGFCWZMEMKD-IGCXYCKISA-N 365.368 4.140 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(F)cc2O)N1 587712829 AKLGKDHGMPCWST-GYKQLYQFSA-N 372.184 4.196 10 1 FICF COc1cc(O)c(-c2ccc3c(c2O)[C@H](C)N[C@@H](C)C3)c2cccc(O)c12 2356513091 RCBMZBBWDFPGEI-RYUDHWBXSA-N 365.429 4.227 10 1 FICF Cc1cc(O)c2c(c1Br)[C@@H]1[C@@H](C(C)C)CC[C@@]1(C)C(=O)C2=O 2356801290 RLTGEHPNJVMPKI-FWVNDXEPSA-N 365.267 4.384 10 1 FICF CC[C@@]1(c2ccc(O)c(O)c2)c2cccc(Br)c2CCN1C 963279663 IKKASKGOGYXROV-GOSISDBHSA-N 362.267 4.002 10 1 FICF CCc1ccc(O)c([C@@]2(C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1 962561674 DQYBMSJYQTYYFK-JLCFBVMHSA-N 355.478 4.112 10 1 FICF CCO[C@H]1[C@H]2OC(=O)[C@@]3(CCCC(C)(C)[C@H]13)c1c2cc(C(C)C)c(O)c1O 2356673007 FJMGWJZYOIMNBF-OZIGNCPNSA-N 374.477 4.302 10 1 FICF NC(=O)Nc1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1 587243077 DKZCVCHBZATLPX-UHFFFAOYSA-N 359.389 4.095 10 1 FICF Cc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587835110 VAEYMXNCVAKUCF-QFYYESIMSA-N 350.231 4.226 10 1 FICF CCCCCOc1c(OC)ccc2c1CN(CCc1ccc(N)cc1)C2=O 80273776 YWKWOUMBEIRKQL-UHFFFAOYSA-N 368.477 4.045 10 1 FICF COc1cccc(-n2ncc3c(/N=N/Cc4ccccc4F)ncnc32)c1 169685256 HIVFCWBTVMWNCY-WJTDDFOZSA-N 362.368 4.247 10 1 FICF Cc1sc2c(c1C)CCN[C@@H]2c1cc(Br)c(F)c(F)c1O 963007784 IGXXQDRHEPLORO-CYBMUJFWSA-N 374.250 4.346 10 1 FICF Cc1oc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1[N+](=O)[O-] 587269613 VXTSHMUJPLUOKC-UHFFFAOYSA-N 350.334 4.414 10 1 FICF COc1cc(/C=C\c2nc3cccc(C(F)(F)F)c3[nH]2)cc(O)c1O 587785004 GTMCFOZHXSALGI-WAYWQWQTSA-N 350.296 4.172 10 1 FICF C/C=C/CN1CCc2c(cc(O)c(O)c2Cl)[C@@H](c2ccc(O)cc2)C1 27850479 LTKPGQBANQDVDS-RCAFFNEUSA-N 359.853 4.023 10 1 FICF CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(O)c(O)cc23)C1(C)C 14975809 BVHUBSXFEBLDQD-UHFFFAOYSA-N 371.477 4.344 10 1 FICF CCN(CC)Cc1c(O)ccc2occ(C(=O)c3ccc(OC)cc3)c12 978437 XKJDSSLILHNZSP-UHFFFAOYSA-N 353.418 4.220 10 3 FICF O=c1n(Cc2cc(Cl)ccc2O)ccn1-c1ccc(C(F)(F)F)cc1 28604429 WXPYZFTYFRGZHQ-UHFFFAOYSA-N 368.742 4.065 10 1 FICF COc1cccc(Nc2cc(C)c(N)c3c2C(=O)c2ccccc2C3=O)c1 1772652474 RWIHERISEREYPS-UHFFFAOYSA-N 358.397 4.105 10 1 FICF COc1cc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccccc3)C2)ccc1O 653737665 RTBIRNHZSSTSFR-HXUWFJFHSA-N 372.424 4.392 10 1 FICF CCCCn1c2c(c3ccc(OC)cc31)CCn1c-2nc2ccccc2c1=O 1911572492 VDOXIEQZBCAJNO-UHFFFAOYSA-N 373.456 4.383 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2O)N1 587725957 GXRRBUJWMKRQTL-VVVCHXIZSA-N 368.221 4.231 10 1 FICF CC[C@]1(c2cc(Cl)c(C)cc2O)NC[C@H]2CC(=O)N(C)c3cccc1c32 963030642 OBATUWJIMINUGM-ASSNKEHSSA-N 370.880 4.061 10 1 FICF Cc1cc2c(c3oc([C@H](C)O)cc13)C(=O)c1c(OC(C)C)cccc1C2=O 473082076 GBXZGTONXHEWIQ-LBPRGKRZSA-N 364.397 4.357 10 1 FICF Nc1ccc(Oc2ccc3nc(-c4cc(F)c(N)c(F)c4)[nH]c3c2)cc1 587135093 SSDZIZAWSVWXNS-UHFFFAOYSA-N 352.344 4.465 10 1 FICF CONC1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 602044 ZJFXWSPUWDWLPL-UVTDQMKNSA-N 362.495 4.109 10 1 FICF Cc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587835109 VAEYMXNCVAKUCF-MGPLVRAMSA-N 350.231 4.226 10 1 FICF Nc1cc(F)c(Sc2nccs2)cc1C(=O)Nc1cccc(F)c1 45353334 OALJKOSDGYTPHR-UHFFFAOYSA-N 363.414 4.407 10 1 FICF CCc1ccc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587823213 SRWRDICZIHJSPU-MLCYQJTMSA-N 364.258 4.480 10 1 FICF O=C(C(=O)c1ccccc1C(=O)N1CCCCC1)c1ccccc1Cl 40812660 UGGJUDIWRCVBIA-UHFFFAOYSA-N 355.821 4.032 10 1 FICF CCCCCCOC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1ccccc1C2=O 85592754 CJQMUTAPINGEHF-VXKWHMMOSA-N 370.445 4.053 10 1 FICF biogenic,in-vitro CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cccc(C(=O)OC)c1O 963240679 LBGAOVICTIVIAA-OYHNWAKOSA-N 353.462 4.099 10 1 FICF CCOCc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)o1 586903541 QXDLHTFLHBSNCY-UHFFFAOYSA-N 372.380 4.135 10 1 FICF Nc1ccc(NC(=O)Nc2ccc(/C=C/c3ccc(O)c(O)c3)cc2)cc1 89455928 IMUXGSRBBWSVLT-OWOJBTEDSA-N 361.401 4.494 10 1 FICF NC(=O)Nc1cccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587242150 NUVVWINGKDKYMZ-UHFFFAOYSA-N 359.389 4.095 10 1 FICF O=C(O)c1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 653795614 GBMKAWBYRBHVGK-LJQANCHMSA-N 371.396 4.235 10 1 FICF CN(C)c1ccc2[nH]c(Cl)c(/C=C3/C(=O)Nc4ccc(O)cc43)c2c1 58575794 CIWVFPGFSRMOMQ-OQLLNIDSSA-N 353.809 4.086 10 1 FICF Cc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587824359 ZZAHJZCEGDHSJS-ADLMAVQZSA-N 364.258 4.400 10 1 FICF CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1cn(C[C@@H]2CO2)c2ccccc12 653717491 WJWBXXJBEAQUSV-GWJWUGQSSA-N 371.440 4.155 10 1 FICF O=C(c1ccccc1)c1cc(Cl)cc2c1N[C@@H](C(=O)O)[C@@H]1CC=C[C@H]21 857654 HMYBOJRMGBRYMD-PMUMKWKESA-N 353.805 4.109 10 1 FICF CC(C)n1c(O)c(N=NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 254010396 FMYIKMKBBNKXQV-KRWDZBQOSA-N 365.389 4.378 10 1 FICF CC(=O)OC[C@H](C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O 2356470498 CJYNUSAOAPXPPP-KKYRWEBSSA-N 374.477 4.435 10 1 FICF Oc1cc2c(c(Cl)c1O)CCNC[C@H]2c1cc(Cl)c(O)c(Cl)c1 27107184 LBUCGEYLJXJMTP-JTQLQIEISA-N 374.651 4.041 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(O)c3[nH]1)[C@@H]1CC=C[C@@H]21 587277657 ZOGPHRSPOVAHNE-VFVRVIDISA-N 362.389 4.312 10 1 FICF COc1cccc(C/N=N/c2cc(C)nc(-c3ccccc3O)n2)c1O 169689545 KGDAEESPJASVED-BSYVCWPDSA-N 350.378 4.156 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(F)c2O)N1 587716986 FDJCLHQCYAACMG-MLXNANBUSA-N 372.184 4.196 10 1 FICF CNc1c(F)cccc1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587135540 GLVPCYZJCUNQTO-UHFFFAOYSA-N 371.371 4.186 10 1 FICF CCS(=O)(=O)c1ccc(OC)c(N=Nc2ccc(O)c3ncccc23)c1 253915588 FGANNBMGTBZWGA-UHFFFAOYSA-N 371.418 4.158 10 1 FICF CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1/N=N\C(=O)c1ccncc1 96901232 SFWCQALOLWIKBC-IZHYLOQSSA-N 373.416 4.369 10 1 FICF COc1cccc(-c2ccc(O)c(CNC[C@H]3C[C@@H]4C=C[C@@H]3C43CC3)c2)n1 100097353 ZAUWQSSTBZGPNN-NEWSRXKRSA-N 362.473 4.155 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)ccnc3[nH]1)[C@H]1CC=C[C@@H]21 587277145 PRJABUOGTFSKBW-GLJUWKHASA-N 361.405 4.309 10 1 FICF Cc1ccc(C)c(-n2nc3c4c(ccc3c2O)C(=O)c2ccccc2C4=O)c1 8829206 SQEFEZFMHDFXOP-UHFFFAOYSA-N 368.392 4.123 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc(F)c2F)N1 587712828 AJYSWORMLNQULX-VGDKGRGNSA-N 372.184 4.196 10 1 FICF CCOC(=O)c1cc(C)n(-c2cccc(-c3cccc(C(=O)O)n3)c2)c1C 587937878 OOLMZUYICXAPME-UHFFFAOYSA-N 364.401 4.031 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2O)N1 587732530 NTDOZYIBCYBBQK-XYZCENFISA-N 368.221 4.231 10 1 FICF O=C(O)c1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 653804902 JMHUSAZRQVDCAK-HXUWFJFHSA-N 371.396 4.235 10 1 FICF COc1cccc(C2=N[C@@H](c3cccnc3)N[C@H](c3ccccc3O)C2)c1 84689029 XMXMJLSJLRCKJH-RBBKRZOGSA-N 359.429 4.018 10 1 FICF CN(C)CCCN1c2cc(Cl)ccc2Sc2cc(O)c(O)cc21 3604923 ZCBSXRWEKNAYOU-UHFFFAOYSA-N 350.871 4.306 10 3 FICF in-vitro O=C1c2ccccc2C(=O)c2c1ccc1c(O)n(-c3ccc(Cl)cc3)nc21 103941077 DSSFOHCSDNGAKD-UHFFFAOYSA-N 374.783 4.160 10 1 FICF CC1=NN(C(=O)c2ccc(C)cc2)[C@H](c2cc(Br)ccc2O)C1 653723902 LHABQBZLIQBJGJ-INIZCTEOSA-N 373.250 4.426 10 1 FICF CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc(Br)ccc1O 95558696 QXGHXMDUMZDMBV-KRWDZBQOSA-N 373.250 4.161 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2O)N1 587735561 XSJVSQDQTJWRQV-VPTHRUTESA-N 354.194 4.057 10 1 FICF Cc1cccc(NC(=O)Cn2c(O)c(/N=N/C(=N)S)c3ccccc32)c1 101824174 AAXGRFUUGZCICR-QURGRASLSA-N 367.434 4.242 10 1 FICF CCCNc1cccc(-n2ncc3c(/N=N/Cc4ccncc4)ncnc32)c1 169685240 WPMAEWUANVFBMC-IMVLJIQESA-N 372.436 4.316 10 1 FICF COc1ccc(-c2cnc(-c3cc(O)c(O)c(Br)c3)o2)cc1 1857542453 ZVNCJALUWFZMFL-UHFFFAOYSA-N 362.179 4.191 10 1 FICF Cc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587830228 CDGFYQYTJYRSHT-HWPZZCPQSA-N 350.231 4.226 10 1 FICF O=C(Cn1ccnc1/N=N/c1ccc(C(F)(F)F)cc1)N1CCCCC1 1772584264 CNGLOWVSGPCPGP-GHVJWSGMSA-N 365.359 4.330 10 1 FICF CC1(C)CC(=O)[C@@H]2C(=Nc3ccccc3N[C@@H]2c2cccc(O)c2O)C1 17730941 RLDJDBCCYQMCLV-RBUKOAKNSA-N 350.418 4.342 10 1 FICF C/C(=C\Cc1cc(O)ccc1O)CCc1c(C)c(O)c(O)c(C=O)c1C 1633255 KTKUNEUPWDRROX-UUILKARUSA-N 356.418 4.060 10 1 FICF CN(C)Cc1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1 13601072 QXSMSFJTPKZXSV-UHFFFAOYSA-N 357.461 4.358 10 1 FICF COC(=O)[C@@]12CCCC(C)(C)[C@H]1CC(=O)c1cc(C(C)C)c(O)c(O)c12 2356704983 PMVQDYBTFTZMHF-VFNWGFHPSA-N 360.450 4.045 10 1 FICF COc1cccc(C)c1-c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 587786391 LBIYQKXRKSTYBY-UHFFFAOYSA-N 368.392 4.322 10 1 FICF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1cc(C)c2c(c1O)CCC2 963636483 RFMRFQSXWRBLFE-QKFKETGDSA-N 367.489 4.004 10 1 FICF COc1ccc(-c2cc(=O)c3c(CN4CCCCC4)c(O)ccc3o2)cc1 2382257126 LSMMHHAFJUBOLV-UHFFFAOYSA-N 365.429 4.160 10 1 FICF Oc1ccc2ccccc2c1[C@@H](c1ccc(F)cc1)N1CCC(O)CC1 72179410 RAUNONDSHFMQEC-JOCHJYFZSA-N 351.421 4.231 10 1 FICF O=C1c2ccccc2C(=O)c2c1cc(NCc1ccccc1)c1nsnc21 219758884 WFKNHIQXLYVURK-UHFFFAOYSA-N 371.421 4.079 10 1 FICF CCOC(=O)C1=C(O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)N=C1C 13130250 OJXKCHYJTIKQFA-PDGQHHTCSA-N 350.418 4.285 10 1 FICF O=C1c2ccccc2C(=O)c2c(-c3ccc(Br)cc3)coc21 1857633411 FQENAOMGHQFHAS-UHFFFAOYSA-N 353.171 4.485 10 1 FICF COC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)N=C1C 101690424 BFNYWCBWRCTEMR-LICLKQGHSA-N 354.381 4.034 10 1 FICF Nc1cc(CO)cc(Nc2c3ccccc3nc3c([N+](=O)[O-])cccc23)c1 27526018 NOYVSBMXKBVCRJ-UHFFFAOYSA-N 360.373 4.114 10 1 FICF C[C@H](/N=N/c1c(F)c(F)nc(F)c1F)c1ccc(-n2cncn2)cc1 169690383 JFACQRSUVOJKPT-VVVPRGLTSA-N 350.279 4.064 10 1 FICF O=C1CCCC2=Nc3ccc4ncccc4c3[C@H](c3ccc(O)c(O)c3)[C@@H]12 169688578 JPZXETDQOJWFDE-RBBKRZOGSA-N 358.397 4.233 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2O)N1 587725956 GXRRBUJWMKRQTL-HUTHGQBESA-N 368.221 4.231 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccc(O)c32)N1 587834350 RQJNXLBKPBVULZ-XTZNXHDOSA-N 362.242 4.018 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc(F)c2F)N1 587712811 AJYSWORMLNQULX-GYKQLYQFSA-N 372.184 4.196 10 1 FICF Oc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(F)cc2)c(O)c1O 1857608450 WCFJUCFBUFIHTN-UHFFFAOYSA-N 354.259 4.018 10 1 FICF CC(=O)O[C@H](CCC=Cc1ccc(O)cc1)CCc1ccc(O)c(O)c1 2356601286 QSIWSPJKOPVWIU-LJQANCHMSA-N 356.418 4.161 10 1 FICF O=C(c1ccccc1)N1N=C(c2ccccc2O)C[C@H]1c1ccc(O)cc1 45336408 YTIZNQVDYYEKID-FQEVSTJZSA-N 358.397 4.089 10 1 FICF NC(=O)N=Nc1c(O)n(Cc2ccccc2)c2ccc(Br)cc12 253978845 OLQPODISFFMNOC-UHFFFAOYSA-N 373.210 4.320 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cccc2F)N1 587723680 YPUOLMAPPQDESM-BCTVWOGZSA-N 354.194 4.057 10 1 FICF C[C@]1(c2cc(F)ccc2O)c2cccc(F)c2CCN1[C@H]1CCSC1 962699001 DPTZHUWQOSTNHD-VBKZILBWSA-N 361.457 4.298 10 1 FICF NC(=O)/N=N/c1c(O)n(Cc2ccccc2)c2ccc(Br)cc12 18155583 OLQPODISFFMNOC-FMQUCBEESA-N 373.210 4.320 10 1 FICF COc1cc(/C=C/c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(O)c1O 587785960 QKMNDNHDINXQJG-NSCUHMNNSA-N 351.189 4.460 10 1 FICF Oc1csc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962637807 KCKIAKOMUGVOJJ-XMSQKQJNSA-N 362.498 4.290 10 1 FICF COC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1C 84652476 LPEIXGGFUTXLHG-DKYMYVDOSA-N 351.406 4.029 10 1 FICF CCOC(=O)c1c(/N=N/N2CCOCC2)sc(-c2ccccc2)c1C 101284283 RCOGMGFFZKIOTH-FMQUCBEESA-N 359.451 4.231 10 1 FICF CCN(CC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 587429556 PSGJJXBOFHETCE-XMSQKQJNSA-N 351.446 4.339 10 1 FICF C[C@]1(c2cc(OCc3ccccc3)ccc2O)NCCc2ccc(O)cc21 963343774 WOXBNUBYUAKWIX-QHCPKHFHSA-N 361.441 4.086 10 1 FICF CC(=O)OC[C@H](C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@@H]1CC2=O 2356470499 CJYNUSAOAPXPPP-KRYGIPSASA-N 374.477 4.435 10 1 FICF Oc1c(CN2CCCC2)cc(OCc2ccccc2)cc1CN1CCCC1 26747380 CIRXURDJWZZIIF-UHFFFAOYSA-N 366.505 4.163 10 1 FICF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H](CCC(=O)C(C)=O)C2=O 138869272 VZLDLHYWDGOXRE-HNNXBMFYSA-N 360.450 4.033 10 1 FICF CCCOc1ccc(N2CC(c3ccc([C@H](C)NC(C)=O)cc3)C2)cc1 149928331 GNYFAXOAIAZPBW-INIZCTEOSA-N 352.478 4.276 10 1 FICF CCOc1ccc(N2CC(c3ccc(CC[C@H](C)NC(C)=O)cc3)C2)cc1 149977850 XSEACQVZCCGFGA-KRWDZBQOSA-N 366.505 4.146 10 1 FICF Oc1ccc2c(c1O)C[C@H](C1CCCCC1)O[C@H]2CNCc1ccccc1 26575010 CDEXVBIHAFJWIQ-YADHBBJMSA-N 367.489 4.450 10 1 FICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccoc3C3CC3)[nH]c21 586901554 MYKFZWIKPXCYIU-UHFFFAOYSA-N 354.365 4.476 10 1 FICF CC[C@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(OCC(=O)C=[N+]=[N-])cc1 27519090 PKPOQZYZYFNDPS-RTWAWAEBSA-N 352.434 4.328 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(C)c3[nH]1)[C@H]1CC=C[C@H]21 587275233 AIIAKZKGSPJTAZ-NJSLBKSFSA-N 361.405 4.309 10 1 FICF COc1ccc2c(c1OC)[C@H](c1c(C)cc(N(C)C)cc1C)N(C)[C@@H](C)C2 962576324 TWKXNWAEKBNDQX-AOMKIAJQSA-N 368.521 4.352 10 1 FICF CCOC(=O)[C@H]1CCc2c(ccc3c2C(=O)C(=O)c2c(C)coc2-3)C1(C)C 40567176 XJIBXGPLWIHZOQ-OAHLLOKOSA-N 366.413 4.037 10 1 FICF Cc1cc2c(O)nc(CSC(=S)NCc3cccs3)nc2s1 1857745915 KFLAOUDWMRRBMR-UHFFFAOYSA-N 367.546 4.075 10 1 FICF O=C(O)[C@@H]1[C@H]2CC=C[C@@H]2c2cc(Br)cc3c2N1C[C@@H]1CC=C[C@H]31 4131760 LBDYSHXIVYPQCI-SRLNJWDMSA-N 372.262 4.055 10 1 FICF CCc1ccc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587823214 SRWRDICZIHJSPU-XTZNXHDOSA-N 364.258 4.480 10 1 FICF CCCN1CCc2cc(Br)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 26841496 NZSGOEUDQMTJJY-OAHLLOKOSA-N 374.278 4.393 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(F)c2O)N1 587722001 XLYJQWQRAMROQT-ZIDLFYJRSA-N 372.184 4.196 10 1 FICF COc1cccc2c1[C@H](/C=C\c1ccccc1)[C@H]([C@H](O)CN=[N+]=[N-])OC2 73057617 WQGWJXORQCSWKT-XEHYSELYSA-N 351.406 4.062 10 1 FICF CN1CCc2c(Br)cccc2[C@@H]1c1c(O)ccc2ncccc12 963268894 AOKZZVLFQJTIOW-LJQANCHMSA-N 369.262 4.280 10 1 FICF COc1cc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccccc3)C2)ccc1O 653737664 RTBIRNHZSSTSFR-FQEVSTJZSA-N 372.424 4.392 10 1 FICF CCCNC1=NC(=O)/C(=C/c2cc(C)n(-c3ccccc3F)c2C)S1 73138527 BPNILJKTFWPQNJ-BOPFTXTBSA-N 357.454 4.203 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cccc2F)N1 587719234 KRIGSKAACLXOIU-PWJLMRLQSA-N 354.194 4.057 10 1 FICF COc1ccc([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(O)c1O 15257352 PPBISUGOQDBBEL-ZDUSSCGKSA-N 354.402 4.009 10 1 FICF endogenous,in-man CC(=O)OC[C@]1(C)CCC[C@@]2(C)c3c(cc(C(C)C)c(O)c3O)C(=O)C[C@H]12 2356338099 MWKQZQOBWYIJHX-VOQZNFBZSA-N 374.477 4.435 10 1 FICF O=C(O)c1cccc(-c2ccc(C/N=N/c3ccc([N+](=O)[O-])cn3)o2)c1 169722484 LVGRGNYJRSFKBG-FMQUCBEESA-N 352.306 4.232 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2O)N1 587735170 WUUXZJGLHVYIBG-ZKANADHPSA-N 354.194 4.057 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3cccc(O)c32)N1 587834347 RQJNXLBKPBVULZ-MLCYQJTMSA-N 362.242 4.018 10 1 FICF Cc1ccc2ccc([C@H](Nc3ncccn3)c3ccccc3F)c(O)c2n1 1772602199 OFCVTCQHWFXUMV-LJQANCHMSA-N 360.392 4.379 10 1 FICF Cc1ccc2ccc([C@@H](Nc3ncccn3)c3ccc(F)cc3)c(O)c2n1 1772626989 XJGGHRJGZDBSBZ-SFHVURJKSA-N 360.392 4.379 10 1 FICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ncccc3Cl)[nH]c21 587065667 WVKNIDJGRKRDGZ-UHFFFAOYSA-N 359.772 4.054 10 1 FICF COc1c([C@@H]2CCCCN2C)c(O)cc2oc(-c3ccccc3)cc(=O)c12 69482464 RKSINLCJJKCDFI-HNNXBMFYSA-N 365.429 4.331 10 1 FICF biogenic,in-vitro O=C(O)c1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccccn2)cc1 587637825 ARJFRUDIBGIEPD-UHFFFAOYSA-N 358.353 4.293 10 1 FICF COc1cccc2cc3c(nc12)[C@](C)(c1cc2c(cc1O)CCCC2)NCC3 963047427 PZJYUTGZYJOXJG-DEOSSOPVSA-N 374.484 4.237 10 1 FICF CCn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1CCCC[C@@H]1C 1355517 PRQVFYLREZZPTG-AWEZNQCLSA-N 361.486 4.202 10 3 FICF Cc1ccc([C@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1 45283327 MYQXWTBGIGVUTM-OAQYLSRUSA-N 357.413 4.087 10 1 FICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(F)c(F)c3)[nH]c21 587144819 BUOQMSADPSSAFR-UHFFFAOYSA-N 360.319 4.284 10 1 FICF CC(=O)N1N=C(c2cc3ccccc3nc2C)C[C@@H]1c1ccc(N(C)C)cc1 103273615 XDKVLTWYZHQKLY-HSZRJFAPSA-N 372.472 4.307 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2sccc2O)N1 587842815 GGZBTQXSODZPJO-ANRSDYALSA-N 356.260 4.153 10 1 FICF CN(C)c1ccc([C@@H]2C=C(c3ccccc3)N3NC(=S)SC3=N2)cc1 1857639074 BBCQCCPSWQXWEQ-INIZCTEOSA-N 366.515 4.043 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(O)cccc2F)N1 587720243 NAUSGGIPUKVRKU-XYZCENFISA-N 368.221 4.231 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(F)c2O)N1 587719173 PIANSNSAZUDDMF-KWKYVRJSSA-N 372.184 4.196 10 1 FICF Cc1ccc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587821782 JZYGYARAAOZUEO-BTDLBPIBSA-N 350.231 4.226 10 1 FICF COc1ccc2c(c1O)[C@@H](OC)N(C)c1c-2ccc2cc3c(cc12)OCO3 169449010 BBJQPHWRLANFCL-OAQYLSRUSA-N 365.385 4.045 10 1 FICF CCOC(=O)/C(=C\CC(=O)C(=O)c1ccccc1)Sc1ccccc1 169712691 USIPOOZJJBPQTP-NBVRZTHBSA-N 354.427 4.068 10 1 FICF CCN(CC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(C)c1 587429555 PSGJJXBOFHETCE-GCJKJVERSA-N 351.446 4.339 10 1 FICF COc1cccc2cc3c(nc12)[C@@](C)(c1ccc(Cl)cc1O)NCC3 963059014 RRBHDBVDHPUPEP-HXUWFJFHSA-N 354.837 4.012 10 1 FICF Cc1ccc([C@@H]2CC(c3ccc(O)cc3)=NN2C(=O)c2cccnc2)cc1 45283325 MYQXWTBGIGVUTM-NRFANRHFSA-N 357.413 4.087 10 1 FICF C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(N2CCCC2)cc1 1857588431 MQTPSUIDKGBQNR-QGZVFWFLSA-N 374.488 4.178 10 1 FICF O=C(O)C(=Cc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1 2356867372 WRBCIIWWCLHEEB-UHFFFAOYSA-N 354.361 4.087 10 1 FICF Cc1ccc(O[C@H](C)C(=O)N=Nc2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 253979267 JWRSZJDHFCTUEJ-LLVKDONJSA-N 368.349 4.168 10 1 FICF COc1ccccc1CCn1c2c(c3c1-c1ccccc1C3=O)C(=O)CCC2 299840343 VCKRZQLIEJEEEL-UHFFFAOYSA-N 371.436 4.470 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2O)N1 587727733 PHNXCFCXTICZDJ-XYZCENFISA-N 368.221 4.231 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(O)cccc2F)N1 587720240 NAUSGGIPUKVRKU-VVVCHXIZSA-N 368.221 4.231 10 1 FICF CCS(=O)(=O)c1ccc(N=Nc2ccc(O)c3ncccc23)c(OC)c1 299813209 JIVCISAVUBTQRK-UHFFFAOYSA-N 371.418 4.158 10 1 FICF COc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cn1 587078213 LDLAVYGWLQHHRB-IUUKEHGRSA-N 352.825 4.446 10 1 FICF O=C1c2ccccc2C(=O)c2c1cccc2-c1cnn([C@@H]2CCCCO2)c1 1857596315 LTGUWMRGVHLGMM-IBGZPJMESA-N 358.397 4.025 10 1 FICF C/C=C/CN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2ccc(O)cc2)C1 27850487 LTKPGQBANQDVDS-YATRRXNKSA-N 359.853 4.023 10 1 FICF COc1ccc2c(c1OC)[C@@H](c1c(C)cc(N(C)C)cc1C)N(C)[C@@H](C)C2 962576357 TWKXNWAEKBNDQX-KSFYIVLOSA-N 368.521 4.352 10 1 FICF CC(=O)Nc1ccc([C@@]2(C)NCCc3cccc(-c4ccccc4)c32)c(O)c1 962665928 ROOOBVNNAUWCOU-XMMPIXPASA-N 372.468 4.427 10 1 FICF CCOc1cc(N(CC)CC)ccc1[C@H]1NCCc2c1c(C(C)C)nn2C 962914121 CKWMYIDQTSXXLH-JOCHJYFZSA-N 370.541 4.024 10 1 FICF COc1cc(-n2c(C)ccc2-c2cc(OC)c(OC)c(OC)c2)ccc1N 1857653037 AIXPEGJQDSGXIE-UHFFFAOYSA-N 368.433 4.069 10 1 FICF CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1N=NC(=O)c1cccnc1 617960089 XAAYVISEOVKXDE-UHFFFAOYSA-N 373.416 4.369 10 1 FICF COC(=O)c1c(C)c(OC)cc(O)c1CNc1ccc(Cl)c(Cl)c1 28950806 FPUSEASJIULUIB-UHFFFAOYSA-N 370.232 4.415 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)cc2O)N1 587735169 WUUXZJGLHVYIBG-VPTHRUTESA-N 354.194 4.057 10 1 FICF [N-]=[N+]=NCCCCCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587259955 KIMVTRBXGPGBGP-UHFFFAOYSA-N 366.429 4.035 10 1 FICF CN1CCN(c2ccc(/C=C/C3=[N+](C)c4ccccc4C3(C)C)cc2)CC1 95562188 RGVAIIBMHLTOGI-UHFFFAOYSA-N 360.525 4.158 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2sccc2O)N1 587842820 GGZBTQXSODZPJO-GLEZIHRCSA-N 356.260 4.153 10 1 FICF Nc1ccc(Oc2ccc3nc(CCC(=O)c4ccc(N)cc4)[nH]c3c2)cc1 587251915 QUNCYUMXBAFBES-UHFFFAOYSA-N 372.428 4.335 10 1 FICF COc1cc(/C=C/c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(O)c1O 587786402 TVASAJJHIXPXNB-AATRIKPKSA-N 366.295 4.052 10 1 FICF CC[C@@]1(c2ccccc2O)N[C@@H](C)Cc2ccc(F)c(Br)c21 587831410 HGBDMAFZBQQPBM-VOJFVSQTSA-N 364.258 4.482 10 1 FICF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1cc(C)c2c(c1O)CCC2 963636481 RFMRFQSXWRBLFE-PSLXWICFSA-N 367.489 4.004 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cccc2F)N1 587719238 KRIGSKAACLXOIU-VPTHRUTESA-N 354.194 4.057 10 1 FICF Cc1ccccc1[C@H]1CC(c2ccc(O)cc2)=NN1C(=O)c1cccnc1 45260244 CAPQWYLERAGWRX-OAQYLSRUSA-N 357.413 4.087 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(F)c2O)N1 587719690 LOIYRFIMKVQRSB-HUTHGQBESA-N 368.221 4.231 10 1 FICF CC(C)CCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12 64447724 FVKBSJDCNRPJIR-UHFFFAOYSA-N 356.374 4.002 10 1 FICF CCOC(=O)c1c(/N=N\N2CCOCC2)sc(-c2ccccc2)c1C 45252881 RCOGMGFFZKIOTH-VXPUYCOJSA-N 359.451 4.231 10 1 FICF CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@H]1c1ccc(N(C)C)cc1 5581073 YTSPBKYGASVAOK-QFIPXVFZSA-N 373.456 4.309 10 1 FICF Nc1ccc(NC(=O)c2cc(Br)c3ccccc3c2O)cc1 169323627 YYPDUQAPGVHRHV-UHFFFAOYSA-N 357.207 4.142 10 1 FICF Cc1[nH]nc(-c2ccc(O)c(O)c2O)c1-c1ccc(Cl)c(Cl)c1 1857556515 HHRRWPNBIUREDA-UHFFFAOYSA-N 351.189 4.476 10 1 FICF COc1cc(O)c([C@@H]2CCCCN2C)c2oc(-c3ccccc3)cc(=O)c12 5922310 XLJBNMLKEZOFPM-HNNXBMFYSA-N 365.429 4.331 10 1 FICF biogenic CN(CCO)c1ccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc1 587192828 FVWWCQJGMPWETD-UHFFFAOYSA-N 367.396 4.270 10 1 FICF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cccc(C(=O)OC)c1O 963240681 LBGAOVICTIVIAA-QRQCRPRQSA-N 353.462 4.099 10 1 FICF Cc1ccc2c(c1)N(C)/C(=C/c1sc3ccccc3[n+]1CCO)S2 3639866 HLFNGINRDQQTLV-UHFFFAOYSA-N 355.508 4.030 10 1 FICF CN1CCN(CCNc2c3ccccc3nc3c2ccc2ccccc23)CC1 45168165 VVSMIAVAKHUSMS-UHFFFAOYSA-N 370.500 4.201 10 1 FICF O=C1NC(=S)S/C1=C\c1csc(-c2cccc(C(F)(F)F)c2)n1 1772630791 SNODLRZRENSASP-YHYXMXQVSA-N 372.418 4.318 10 1 FICF O=c1c2c(F)cccc2nc(/C=C/c2cccnc2)n1Cc1ccccc1 72139360 IONQKKYVCSQQCK-VAWYXSNFSA-N 357.388 4.149 10 1 FICF CCCCCCO[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 49054735 RMDUOUZGXLFUAC-LEWJYISDSA-N 374.433 4.151 10 1 FICF CN(CCO)c1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1 587192780 CPJURIBTPUCXLU-UHFFFAOYSA-N 374.444 4.033 10 1 FICF COc1ccc([C@@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1 72178818 DMQRBMOSWUJPNJ-QHCPKHFHSA-N 363.457 4.100 10 1 FICF Cc1cc(C2=NN(C(=O)c3ccncc3)[C@@H](c3ccccc3)C2)ccc1O 35013068 NRMJLPBCZDCGBQ-HXUWFJFHSA-N 357.413 4.087 10 1 FICF CC[C@]1(c2ccccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587835784 YEUFCQLFQDVVLU-BBATYDOGSA-N 364.258 4.482 10 1 FICF COc1ccc(N2CCN(CCCOc3c(C)cc(C)cc3C)CC2)cc1 1857537024 MGOVFKYGYIQOQX-UHFFFAOYSA-N 368.521 4.212 10 1 FICF Cc1ccc(OCc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587565358 CVHIZHBUYKOSDL-UHFFFAOYSA-N 368.392 4.226 10 1 FICF Cc1ccsc1CNC1=NC(=O)/C(=C/c2ccc3ncccc3c2)S1 28821319 WGAMUJQGOBNJOK-YBEGLDIGSA-N 365.483 4.365 10 1 FICF CCOC(=O)N1CCN(C2=Cc3ccccc3Sc3ccccc32)CC1 702198 DUPGQWLINPHMLT-UHFFFAOYSA-N 366.486 4.423 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2O)N1 587734808 VWCNSGBKIQPETE-VVVCHXIZSA-N 368.221 4.231 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)cc(F)cc2F)N1 587718850 JWVKGEHILWVGHD-GYKQLYQFSA-N 372.184 4.196 10 1 FICF CCCCCO/C(O)=C1/C(C)=NC(=S)N[C@H]1c1ccc(N(C)C)cc1 617964400 NCKMLASAWXEJAP-HMNTXPNISA-N 361.511 4.119 10 1 FICF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(O)c(O)c1C3 586992809 XUQHOECPKPWCEI-UHFFFAOYSA-N 367.360 4.134 10 1 FICF CCCCOc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)ccc1C(N)=O 36741098 DMXDLBKSRUUPDF-UHFFFAOYSA-N 368.477 4.219 10 1 FICF O=C(/N=N/c1c(O)[nH]c2ccccc12)c1[nH]nc2c1CCc1ccccc1-2 100703055 HBXKLYAPHYJIJJ-OCOZRVBESA-N 357.373 4.286 10 1 FICF CCc1ccc(O)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587822450 OFFSSMPQZOYGCZ-XTZNXHDOSA-N 364.258 4.480 10 1 FICF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1cc(Cl)ccc1O 963048575 TZJWRUCUTZPZPJ-FQEVSTJZSA-N 354.837 4.012 10 1 FICF COc1cccc(-c2ccc(O)c(CNC[C@H]3C[C@H]4C=C[C@H]3C43CC3)c2)n1 299811266 ZAUWQSSTBZGPNN-BHIYHBOVSA-N 362.473 4.155 10 1 FICF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587822188 LRMZAQWNEZUKHC-BTDLBPIBSA-N 350.231 4.226 10 1 FICF COc1ccc(N2CCN(CCCSc3ccc(F)cc3)CC2)cc1 28886734 UACWFOGQXUERAA-UHFFFAOYSA-N 360.498 4.139 10 1 FICF COc1cc(/C=C\c2nc3cccc(OC(F)(F)F)c3[nH]2)cc(O)c1O 587786404 TVASAJJHIXPXNB-WAYWQWQTSA-N 366.295 4.052 10 1 FICF O=C(COc1ccc(Cl)cc1)/N=N/c1c(O)[nH]c2ccc([N+](=O)[O-])cc12 103965856 IUILDGDBHHJAQI-FMQUCBEESA-N 374.740 4.124 10 1 FICF Nc1ccc(Oc2ccc3nc([C@]4(N)C[C@H]4c4ccccc4F)[nH]c3c2)cc1 587157308 SHBMTLMIQWLWEZ-JTSKRJEESA-N 374.419 4.418 10 1 FICF CN(Cc1cc(-c2ccc(F)cc2)ccc1O)C[C@H](O)c1ccccc1 15004697 QNQYBLSIMDXKST-QFIPXVFZSA-N 351.421 4.364 10 1 FICF COc1ccc([C@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(O)c1O 15257355 PPBISUGOQDBBEL-CYBMUJFWSA-N 354.402 4.009 10 1 FICF endogenous,in-man Oc1ccc(NCc2cc(Br)cc(Br)c2O)cc1 2382216704 RKLIQSUSGAFOSH-UHFFFAOYSA-N 373.044 4.235 10 1 FICF CC(=C1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 27648402 ZKUTZHVBCXRVGT-UHFFFAOYSA-N 354.409 4.455 10 1 FICF C[C@]1(CCc2ccc(O)c(O)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587532239 JUVQWEZJKJYCED-QFIPXVFZSA-N 352.430 4.333 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2O)N1 587831346 GXGGTSBGFCLVTI-QGHHPUGFSA-N 350.231 4.092 10 1 FICF COC(=O)[C@@H](C)c1ccc(-c2ccc(O)c(CN3CCCC3)c2)c(F)c1 1857595202 NJVJVLFXFOLWFT-AWEZNQCLSA-N 357.425 4.071 10 1 FICF CC(=O)Nc1ccc([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)c(O)c1 962666857 SPQCNOUOSYDEFV-DEOSSOPVSA-N 372.468 4.427 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2O)N1 587727732 PHNXCFCXTICZDJ-XLFHBGCDSA-N 368.221 4.231 10 1 FICF Cc1ccc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587824235 YZXRWNBISNKAED-BTDLBPIBSA-N 350.231 4.226 10 1 FICF COc1cccc2c1[C@H](C=Cc1ccccc1)[C@@H]([C@@H](O)CN=[N+]=[N-])OC2 1857622476 WQGWJXORQCSWKT-ZWOKBUDYSA-N 351.406 4.062 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2O)N1 587725958 GXRRBUJWMKRQTL-XLFHBGCDSA-N 368.221 4.231 10 1 FICF O=C(COc1ccccc1)N=Nc1c(O)[nH]c2ccc(Br)cc12 617960172 ZQNXJLHJFKBYHE-UHFFFAOYSA-N 374.194 4.325 10 1 FICF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)n(-c3ncccc3C)c1C)O2 587388370 ACSYGTQYEPYCMI-FQEVSTJZSA-N 361.445 4.395 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(F)c2O)N1 587714848 BTHSTSQPPHLHDS-AYVTZFPOSA-N 354.194 4.057 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(F)c2O)N1 587716096 DJRWMZTUMHAPPH-HUTHGQBESA-N 368.221 4.231 10 1 FICF O=C(COc1ccc(Cl)cc1)N=Nc1c(O)[nH]c2ccc([N+](=O)[O-])cc12 617960122 IUILDGDBHHJAQI-UHFFFAOYSA-N 374.740 4.124 10 1 FICF CC(C)[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Cl)ccc2O)N1 4729610 SRVKWLXVSOAVPE-JXFKEZNVSA-N 372.852 4.280 10 1 FICF COc1cccc(C2=N[C@H](c3cccnc3)N[C@@H](c3ccccc3O)C2)c1 84689032 XMXMJLSJLRCKJH-IRLDBZIGSA-N 359.429 4.018 10 1 FICF CCO[C@H]1[C@H]2OC(=O)[C@@]3(CCCC(C)(C)[C@@H]13)c1c2cc(C(C)C)c(O)c1O 2356673008 FJMGWJZYOIMNBF-VWNVYAMZSA-N 374.477 4.302 10 1 FICF COc1cccc2c1[C@H](/C=C/c1ccccc1)[C@H]([C@H](O)CN=[N+]=[N-])OC2 66136556 WQGWJXORQCSWKT-FGZMJENRSA-N 351.406 4.062 10 1 FICF CNc1cc(C(=O)O)cc(OCc2ccccc2)c1C(=O)c1ccccc1 169343317 GITCUPGFCDLCSD-UHFFFAOYSA-N 361.397 4.237 10 1 FICF COc1ccc(CCn2c3c(c4c2-c2ccccc2C4=O)C(=O)CCC3)cc1 299841372 ZMCHMERXHIDCMD-UHFFFAOYSA-N 371.436 4.470 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)ccc2O)N1 587728089 CRVGYEUELGWAFI-BCTVWOGZSA-N 354.194 4.057 10 1 FICF CC(=O)O[C@H](CCCCc1ccc(O)cc1)CCc1ccc(O)c(O)c1 64528087 FNZIZWQXFYAOOE-LJQANCHMSA-N 358.434 4.081 10 1 FICF biogenic,in-vitro COc1ccc(N2CC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)cc1 587515307 SDVYGHDLXYIWOH-HSZRJFAPSA-N 363.457 4.188 10 1 FICF CC(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)n(-c2ccc(F)cc2)c1C 13762069 YUCVUYSGTNTGJI-UHFFFAOYSA-N 371.433 4.198 10 1 FICF CC(=O)N1N=C(c2ccc(-n3c(C)ccc3C)cc2)O[C@H]1c1ccccc1 103191208 IWPFEYVXDARLFX-QFIPXVFZSA-N 359.429 4.333 10 1 FICF CC(=O)O[C@H]1CC(C)(C)[C@@H]2C[C@@H]3OC[C@@]2(C1)c1c3cc(C(C)C)c(O)c1O 1772594059 FWSDEISFUQPGFZ-ROWOMKEUSA-N 374.477 4.302 10 1 FICF COc1cncc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078172 JXLJLTVASLZFGQ-JKDFXYPNSA-N 352.825 4.446 10 1 FICF O=C(COc1ccc(Br)cc1)N=Nc1c(O)[nH]c2ccccc12 617960144 GHXHDWHUSJJCMJ-UHFFFAOYSA-N 374.194 4.325 10 1 FICF O=[N+]([O-])c1cc(Cl)cc([C@H]2NCCc3c(Cl)cc(Cl)cc32)c1O 963113183 VOJQKEBFQMKAGG-AWEZNQCLSA-N 373.623 4.496 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)ccnc3[nH]1)[C@@H]1CC=C[C@@H]21 587277147 PRJABUOGTFSKBW-LBTNJELSSA-N 361.405 4.309 10 1 FICF COc1cc(/C=C/c2nc3cccc(C(F)(F)F)c3[nH]2)cc(O)c1O 587785002 GTMCFOZHXSALGI-AATRIKPKSA-N 350.296 4.172 10 1 FICF COc1ccc2[nH]cc(C(=O)C(=O)CCCc3c[nH]c4ccccc34)c2c1 653833235 NRIAUEWTAVIVLL-UHFFFAOYSA-N 360.413 4.433 10 1 FICF Oc1csc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962948963 BVDKTANAUZQSBQ-INIZCTEOSA-N 369.408 4.213 10 1 FICF Cc1ccc(C)n1-c1ccc(-c2ccc(CCC(=O)O)cc2)c(C(=O)O)c1 45351047 XKLQFSYLYXOADT-UHFFFAOYSA-N 363.413 4.477 10 1 FICF Oc1ccc(-c2ccccn2)cc1CNC1CCN(Cc2ccccc2)CC1 52569859 DAXHRUGPVLGMBJ-UHFFFAOYSA-N 373.500 4.208 10 1 FICF NC(=S)n1nc(-c2ccccc2)c(/N=N/c2cccc(Cl)c2)c1O 169307451 YVRUUZGGIWHLQJ-FMQUCBEESA-N 357.826 4.416 10 1 FICF O=C(Nc1ccccc1)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O 653713018 KWCYAMWZAALBJU-UHFFFAOYSA-N 367.813 4.429 10 1 FICF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cnn(C)c1)c1ccccc1O 963230412 PJCXJMKNEXJAPD-UZUQRXQVSA-N 361.489 4.074 10 1 FICF COc1ccc2c(c1)c([C@H]1CC(=O)c3cc(C)cc(N)c3O1)c(C)n2C 587391072 OYKXNZNLMBJPTB-LJQANCHMSA-N 350.418 4.092 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(F)c2O)N1 587722589 SXYXANZMVUGXDX-MLXNANBUSA-N 372.184 4.196 10 1 FICF C[C@@H](CCC[C@@H](C)CO)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O 14763696 LNVBQOJPDQKZTL-RQJABVFESA-N 350.455 4.212 10 1 FICF CN(CCO)c1ccc(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)cc1 587193323 YPNVBWSUOSKSHH-UHFFFAOYSA-N 359.429 4.451 10 1 FICF CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 40934920 FVIKEIHOYKQWGD-UYRXBGFRSA-N 372.380 4.451 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2O)N1 587725959 GXRRBUJWMKRQTL-XYZCENFISA-N 368.221 4.231 10 1 FICF Cc1ccc(Sc2ccc3c(c2)C(=O)c2cc(O)c(O)cc2C3=O)cc1 95575900 HCYYGYJUUDXTAS-UHFFFAOYSA-N 362.406 4.333 10 1 FICF Oc1c(CN2CCCC2)cc(Cc2ccccc2)cc1CN1CCCC1 26745775 RWSXIVZYSKAXKA-UHFFFAOYSA-N 350.506 4.175 10 1 FICF Nc1ccc(Oc2ccc3nc([C@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)cc1 587157310 SHBMTLMIQWLWEZ-VGSWGCGISA-N 374.419 4.418 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cc(F)cc2F)N1 587721103 OTEPWSHLERJBHM-GYKQLYQFSA-N 372.184 4.196 10 1 FICF CC[C@@H]1OCCC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586914954 ZXRMTBWSAWBBRF-PBHICJAKSA-N 360.413 4.011 10 1 FICF O=C1/C(=C/c2ccc3nsnc3c2)SC(=S)N1Cc1ccccc1 84728055 SXUSKEFYYNNDKS-DHDCSXOGSA-N 369.496 4.093 10 1 FICF CC1(C)Cc2c(cnn2-c2ccccc2)C(O)=C1/N=N/C(=O)c1ccncc1 96901233 SFWCQALOLWIKBC-OCOZRVBESA-N 373.416 4.369 10 1 FICF COC(=O)[C@@H](C)c1ccc(-c2ccc(O)c(CN3CCCCC3)c2)c(F)c1 1857571545 BRKPMHZEPFHPJT-HNNXBMFYSA-N 371.452 4.461 10 1 FICF Oc1cc2c(c(Cl)c1O)CCNC[C@@H]2c1cccc(C(F)(F)F)c1 27184502 LOCMVLDIVDMMTM-CYBMUJFWSA-N 357.759 4.048 10 1 FICF C[C@H]1CN([C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)C[C@@H](C)O1 1857587238 POKMZQQTGGAPSI-LRAJWGHMSA-N 366.436 4.278 10 1 FICF Cc1cc(/C=C2/SC(=N)NC2=O)c(C)n1-c1ccccc1C(F)(F)F 473153716 CPEGZUFPNCSMGJ-RIYZIHGNSA-N 365.380 4.252 10 1 FICF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4ncccc4C)c1C)[C@@H](C2)C3=O 587431496 PCQZVDWIMKDDRH-AVRDEDQJSA-N 374.440 4.295 10 1 FICF CN1CCc2ccc(Cc3ccccc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 96272454 PNZJHNPWNQIJPQ-LJQANCHMSA-N 357.453 4.441 10 1 FICF CCS(=O)(=O)c1ccc(/N=N\c2ccc(O)c3ncccc23)c(OC)c1 13544839 JIVCISAVUBTQRK-MRCUWXFGSA-N 371.418 4.158 10 1 FICF Cc1cc(F)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587726529 JVZSRUYAUGEGAJ-XXFAHNHDSA-N 368.221 4.365 10 1 FICF CCn1c(O)c(N=NC(=O)c2cccnc2)c2cc(Br)ccc21 253979514 ULVGOCUAQWMGRK-UHFFFAOYSA-N 373.210 4.448 10 1 FICF CCc1nn(-c2cccc(OC)c2)c2ncnc(/N=N/Cc3ccncc3)c12 169685282 DWXYCYXIZSZNEH-OCOZRVBESA-N 373.420 4.065 10 1 FICF Oc1ccc(C2=COc3cc(O)c(CNCCc4ccccc4)cc3C2)cc1 473154217 FITPAEULAIBJDP-UHFFFAOYSA-N 373.452 4.406 10 1 FICF NC(=O)n1nc(-c2ccc(F)cc2)c(/N=N/c2cccc(Cl)c2)c1O 169307459 GCTPFHYSWITJMY-QZQOTICOSA-N 359.748 4.390 10 1 FICF CC(=O)N1N=C(c2ccc3ccccc3c2O)C[C@@H]1c1ccc(N(C)C)cc1 5832866 YTSPBKYGASVAOK-JOCHJYFZSA-N 373.456 4.309 10 1 FICF COc1cccc(-c2ccc(O)c(CNC[C@@H]3C[C@H]4C=C[C@@H]3C43CC3)c2)n1 12041756 ZAUWQSSTBZGPNN-UHOSZYNNSA-N 362.473 4.155 10 1 FICF CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2[C@@H](OC(=O)c2ccc(O)c(O)c2)C1 38795071 ZIMLVLHAEPCXAJ-YUVXSKOASA-N 374.477 4.167 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)ccc(F)c2F)N1 587714978 GSORCUMCUAHTDJ-VGDKGRGNSA-N 372.184 4.196 10 1 FICF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)n(-c3ncccc3C)c1C)O2 587388371 ACSYGTQYEPYCMI-HXUWFJFHSA-N 361.445 4.395 10 1 FICF Cc1ccc2ccc([C@H](Nc3ncccn3)c3ccc(F)cc3)c(O)c2n1 1772626988 XJGGHRJGZDBSBZ-GOSISDBHSA-N 360.392 4.379 10 1 FICF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1cc2c(cc1O)CCCC2 963046520 KAHJSIQDGQZVKR-DEOSSOPVSA-N 374.484 4.237 10 1 FICF CC[C@@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 13369469 QQECFRNTAOTDHI-SNVBAGLBSA-N 362.381 4.096 10 1 FICF biogenic CSc1ccc(C2=C(c3ccc(O)c(O)c3)C(=O)N3CCC[C@@H]3C2)cc1 29404623 NXPXNHYSKFMLOB-OAHLLOKOSA-N 367.470 4.125 10 1 FICF COc1ccc(-c2coc3c(O)c(O)c(CC=C(C)C)cc3c2=O)cc1 137081650 QUMJXMLQYYGVBX-UHFFFAOYSA-N 352.386 4.389 10 1 FICF O=C1CCCC2=Nc3ccc4ncccc4c3[C@@H](c3ccc(O)c(O)c3)[C@@H]12 13571353 JPZXETDQOJWFDE-IFMALSPDSA-N 358.397 4.233 10 1 FICF CCN(CC)c1cc(C)c2cc(NC(=O)/C=C/c3ccccn3)ccc2n1 2382260661 VGOBORHJXSMGPS-ZRDIBKRKSA-N 360.461 4.436 10 1 FICF COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C[C@@H](C)O4)CC2)cc1 114334214 YVBZPAWLIVCPHA-OAHLLOKOSA-N 366.505 4.270 10 1 FICF CC(=O)OC[C@]1(C)CCC[C@@]2(C)c3c(cc(C(C)C)c(O)c3O)C(=O)C[C@@H]12 2356338098 MWKQZQOBWYIJHX-BULFRSBZSA-N 374.477 4.435 10 1 FICF O=C(Nc1cccc(C(=O)C(=O)c2ccccn2)c1)c1cccc(Cl)c1 66258287 SDCVFMLIVHISGW-UHFFFAOYSA-N 364.788 4.053 10 1 FICF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1cc2c(cc1O)CCCC2 963046521 KAHJSIQDGQZVKR-XMMPIXPASA-N 374.484 4.237 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2O)N1 587723656 YIKAKXGJLDWZCX-ANRSDYALSA-N 354.194 4.057 10 1 FICF COc1cc2nc3c(cc2c(CN(C)C)c1O)CSc1ccccc1-3 43076309 VBGXHYJVGHFOBV-UHFFFAOYSA-N 352.459 4.283 10 1 FICF C[C@]1(c2cc(F)ccc2O)c2cccc(F)c2CCN1[C@@H]1CCSC1 962698999 DPTZHUWQOSTNHD-JLTOFOAXSA-N 361.457 4.298 10 1 FICF CC(=O)c1ccc(-n2c(C)ccc2-c2ccc(S(C)(=O)=O)cc2)cc1 13762067 RYVHHALBIZKVNF-UHFFFAOYSA-N 353.443 4.059 10 1 FICF CN(C)c1ccc(N=Nc2ccc(-c3nc4c(O)nncc4[nH]3)cc2)cc1 587196095 QLSATVADMCPOFT-UHFFFAOYSA-N 359.393 4.207 10 1 FICF CC(=O)OC[C@H](C)c1cc2c(c(O)c1O)[C@@]1(C)CCCC(C)(C)[C@H]1CC2=O 2356470497 CJYNUSAOAPXPPP-DGIMUSOZSA-N 374.477 4.435 10 1 FICF O=C1OC[C@H](c2ccc(N(C3CC3)C3CC3)cc2)N1c1ccc2[nH]cnc2c1 116196138 SWHIOMWCCVFQRY-OAQYLSRUSA-N 374.444 4.392 10 1 FICF Cc1ccc(-n2c(C)cc(C3=NN=C(NC4CC4)SC3)c2C)cc1C 7141002 WOOZBUBGMIFTNL-UHFFFAOYSA-N 352.507 4.270 10 3 FICF CC(=O)N1N=C(c2ccc(OCC=C(C)C)cc2O)C[C@@H]1c1ccccc1 64526686 KYSYWSYEMSOXEN-OAQYLSRUSA-N 364.445 4.435 10 1 FICF COc1cccc(-n2nc(C)c3c(/N=N/[C@@H](C)c4ccncc4)ncnc32)c1 169685287 ZKMVSTBPVHSXEJ-UJJCNQHWSA-N 373.420 4.372 10 1 FICF CCCc1cc(-c2ccccc2)n(-c2ccc(S(N)(=O)=O)cc2)c1C 2382260430 MSZCKAOCBREIEH-UHFFFAOYSA-N 354.475 4.053 10 1 FICF CC[C@H]1OCCC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586914956 ZXRMTBWSAWBBRF-WMLDXEAASA-N 360.413 4.011 10 1 FICF C[C@H](c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)n1cc(Cl)cn1 587082372 PLHYHTHHVWQTAA-LLVKDONJSA-N 353.813 4.397 10 1 FICF C[C@@H]1CN([C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)C[C@@H](C)O1 1857587239 POKMZQQTGGAPSI-VTJXTGGHSA-N 366.436 4.278 10 1 FICF Cc1cc(O)c2c(c1Br)[C@@H]1[C@@H](C(C)C)CC[C@]1(C)C(=O)C2=O 2356801293 RLTGEHPNJVMPKI-RHXQLXPWSA-N 365.267 4.384 10 1 FICF CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@@H]1c1ccccc1O 103175630 VKSQWDYIDVONRW-GOSISDBHSA-N 366.442 4.252 10 1 FICF CCOC(=O)c1ccc(N=Nc2c(C)[nH]n(-c3ccccc3)c2=O)cc1 299847285 AZJDYKRGCOOWDF-UHFFFAOYSA-N 350.378 4.066 10 1 FICF COc1ccc([C@H](c2c(O)ccc3ccccc23)N2CCC(O)CC2)cc1 72178819 DMQRBMOSWUJPNJ-HSZRJFAPSA-N 363.457 4.100 10 1 FICF c1cncc(CN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)c1 95588950 XTFHFTIUFMPCEP-UHFFFAOYSA-N 370.456 4.212 10 1 FICF O=C1N=C(O)S/C1=C\c1ccc(OCCC2CCCCC2)c(CO)c1 169700808 NODYJSRWBAMRRE-BOPFTXTBSA-N 361.463 4.056 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cc(F)cc2F)N1 587718858 JWVKGEHILWVGHD-VGDKGRGNSA-N 372.184 4.196 10 1 FICF Oc1ccc(C2=COc3cc(O)c(CNCc4ccccc4)cc3C2)cc1 473154619 JJRJDCKKZQXTHG-UHFFFAOYSA-N 359.425 4.364 10 1 FICF O=C(Oc1ccccc1)c1cc2c(s1)C(=O)c1c(Cl)cccc1C2=O 653786689 MLNTZYRKVCKFRN-UHFFFAOYSA-N 368.797 4.396 10 1 FICF CCOC(=O)Cc1ccc(Oc2ccc(O)c(CN)c2)c(Cl)c1Cl 29346886 SSJCTHNPNPTJOB-UHFFFAOYSA-N 370.232 4.056 10 1 FICF Cc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587822592 PQFSIASTMWEACS-BBATYDOGSA-N 364.258 4.400 10 1 FICF O=C(O)c1ccc(N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1 1009756 AEAPRFCJDOSCGL-LHQXNBGVSA-N 367.451 4.347 10 1 FICF CN(C)/C=C/c1nc(-c2ccc(F)cc2)cc2c1C(=O)c1ccccc1C2=O 96934761 ZKLWSMYCYYKPNP-VAWYXSNFSA-N 372.399 4.195 10 1 FICF CNc1nc2ccc(C(F)(F)F)cc2n2c(-c3ccc(O)c(O)c3)cnc12 2382252569 UQURPFKMFCCGJY-UHFFFAOYSA-N 374.322 4.021 10 1 FICF CCCN(c1ccc(O)c(CN2CCCCC2)c1)c1ccc([N+](=O)[O-])cn1 45193590 ZFDFNLRFPOSDKB-UHFFFAOYSA-N 370.453 4.229 10 1 FICF O=C(NCc1ccccc1F)c1ccc(/C=C/c2ccc(O)c(O)c2)cc1 43022825 KGTQCZGPIJPENB-AATRIKPKSA-N 363.388 4.337 10 1 FICF CN1CCN(C(=S)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 5557892 OLGJJTOCWHXNFD-UHFFFAOYSA-N 355.290 4.176 10 3 FICF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587822190 LRMZAQWNEZUKHC-QGHHPUGFSA-N 350.231 4.226 10 1 FICF COc1cc([C@H]2c3cccc4cccc(c34)[C@H]3CCC(=O)N23)cc(O)c1O 1654647 XDONCFAHMRIQHS-IERDGZPVSA-N 361.397 4.026 10 1 FICF O=C(CCCc1ccc(Cl)cc1)N1CCCc2cc(O)c(O)cc2C1 29132852 XUVCGDHBPDVKCJ-UHFFFAOYSA-N 359.853 4.049 10 1 FICF O=C1c2ccccc2C(=O)c2cc(C(=O)c3coc4ccccc34)ccc21 587280799 YVKPQUAPCLWNIG-UHFFFAOYSA-N 352.345 4.439 10 1 FICF Cc1cc(F)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587726526 JVZSRUYAUGEGAJ-ABKXIKBNSA-N 368.221 4.365 10 1 FICF CCOc1ccccc1-c1c2cc(O)c(=O)cc-2oc2cc(O)c(O)cc12 4893392 WGMMUHMORCJCQB-UHFFFAOYSA-N 364.353 4.080 10 3 FICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)OC)cc3)C2)cc1 96173027 LBHPFCIMGRAIRQ-MRXNPFEDSA-N 369.461 4.020 10 1 FICF COc1ccc(N2CC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)cc1 587515308 SDVYGHDLXYIWOH-QHCPKHFHSA-N 363.457 4.188 10 1 FICF Cn1c(CSc2ccc(F)cc2)nc2c(CN3CCCC3)c(O)ccc21 64559234 OSYIDCWAZBMNFM-UHFFFAOYSA-N 371.481 4.306 10 1 FICF C[C@@H](O)c1ncc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)s1 587022316 PSICXHYDTHVLSB-SNVBAGLBSA-N 352.419 4.114 10 1 FICF CC(=O)N(C)CCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1 587922440 OUWLDZAFEXRKNC-UHFFFAOYSA-N 371.481 4.378 10 1 FICF CC[C@@]1(c2cc(Cl)c(C)cc2O)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963030645 OBATUWJIMINUGM-YEJXKQKISA-N 370.880 4.061 10 1 FICF CSc1ccc(C(=O)C(=O)c2ccccc2C(=O)N2CCCCC2)cc1 40763409 XMQIVXJCGDWISZ-UHFFFAOYSA-N 367.470 4.100 10 1 FICF O=C1c2ccccc2-c2cc(-c3ccc(O)c(O)c3O)nc3cccc1c23 587207648 UNIHVPDACUNJLH-UHFFFAOYSA-N 355.349 4.230 10 1 FICF O=[N+]([O-])c1nccn1CCCCNc1c2ccccc2nc2ccccc12 33639820 WNJCEJSYVNKOPE-UHFFFAOYSA-N 361.405 4.385 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(F)c2O)N1 587722590 SXYXANZMVUGXDX-NZFNHWASSA-N 372.184 4.196 10 1 FICF COc1cc(/C=C/c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(O)c1O 587785853 OVYFDIJYMATJPO-NSCUHMNNSA-N 368.286 4.311 10 1 FICF COc1ccc([C@H](NC(N)=O)c2c(O)ccc3oc4ccccc4c23)cc1 72175562 MQSBBTUHSRURFA-FQEVSTJZSA-N 362.385 4.058 10 1 FICF COc1cccc2c1[C@H](/C=C\c1ccccc1)[C@@H]([C@@H](O)CN=[N+]=[N-])OC2 169332613 WQGWJXORQCSWKT-AUAKKHMASA-N 351.406 4.062 10 1 FICF Cc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587830231 CDGFYQYTJYRSHT-QFYYESIMSA-N 350.231 4.226 10 1 FICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(=O)CF)cc3)C2)cc1 96173001 SCCLZFRGPYNCDG-MRXNPFEDSA-N 371.452 4.385 10 1 FICF COC(=O)c1cc(N=Nc2c(C)[nH]c3ccccc23)cc(C(=O)OC)c1 253978795 IFOLSFOOWQDBTN-UHFFFAOYSA-N 351.362 4.465 10 1 FICF CC(=O)Oc1ccc([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)c(O)c1 962662946 DBRJRIOYBZHFOI-XMMPIXPASA-N 373.452 4.394 10 1 FICF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cccc(C(=O)OC)c1O 963240677 LBGAOVICTIVIAA-NYHFZMIOSA-N 353.462 4.099 10 1 FICF CC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C\c1ccc(-c2ccccc2)o1 59246288 UQWUDRZSFFOCJP-UYRXBGFRSA-N 372.380 4.451 10 1 FICF O=c1c2cc(F)ccc2nc(/C=C/c2cccnc2)n1Cc1ccccc1 72122001 MIYWKUORCZGWPW-DHZHZOJOSA-N 357.388 4.149 10 1 FICF CCS(=O)(=O)c1ccc(/N=N/c2ccc(O)c3ncccc23)c(OC)c1 101887933 JIVCISAVUBTQRK-QZQOTICOSA-N 371.418 4.158 10 1 FICF O=[N+]([O-])c1ccc(-c2cnc(/N=N/[CH-]c3cccc([N+](=O)[O-])c3)nc2)cc1 169721078 HRESVRIMEWEFIX-QZQOTICOSA-N 363.313 4.254 10 1 FICF CN1CCc2c(Br)cccc2[C@H]1c1c(O)ccc2ncccc12 963268893 AOKZZVLFQJTIOW-IBGZPJMESA-N 369.262 4.280 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2O)N1 587732524 NTDOZYIBCYBBQK-VVVCHXIZSA-N 368.221 4.231 10 1 FICF COc1cc2c(/C=C3/C(=O)Nc4ccc(O)cc43)c(Cl)[nH]c2cc1C 6522237 UIWDYTKMXZAVAX-VGOFMYFVSA-N 354.793 4.337 10 1 FICF CCN(CC)Cc1cc(Nc2cc[n+]([O-])c3cc(Cl)ccc23)ccc1O 28009758 UNOLGIXYDKKKEF-UHFFFAOYSA-N 371.868 4.418 10 1 FICF Cc1cc(-c2ccc(O)c(CN3CCCC[C@H]3CO)c2)c2ccccc2n1 11995593 XFYKJZVCYZZHFJ-IBGZPJMESA-N 362.473 4.263 10 1 FICF O=C1N(c2ccccc2)c2ccccc2[C@]12NN=C(c1ccccc1)S2 28824755 AVHGVNUKOVLQOX-OAQYLSRUSA-N 357.438 4.216 10 1 FICF CCOc1ccc(N2CC(c3ccc(CC[C@@H](C)NC(C)=O)cc3)C2)cc1 149977614 XSEACQVZCCGFGA-QGZVFWFLSA-N 366.505 4.146 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(F)cc2O)N1 587720045 QXYJPMJTWDEHNE-QZTNRIJFSA-N 372.184 4.196 10 1 FICF Cc1cc2c(n1-c1cccc(C3=NC(C)(C)CO3)c1)CC(C)(C)CC2=O 587936985 ZKEFKAGZOCPSFR-UHFFFAOYSA-N 350.462 4.496 10 1 FICF Cc1cc(=NC2=NC(=O)/C(=C\c3ccc(-c4ccccc4)cc3)S2)[nH]o1 2382221937 NZFMUTIKOLTEFU-SFQUDFHCSA-N 361.426 4.154 10 1 FICF Cc1cccc2c(NCCC[N+](C)(C)[O-])c3c([N+](=O)[O-])ccc(C)c3nc12 26506686 RXQQWJKAVMXZPL-UHFFFAOYSA-N 368.437 4.289 10 1 FICF Oc1c([C@@H](Nc2ncccn2)c2ccc(F)cc2F)ccc2cccnc12 1772650691 JTEKYRRZNWCLRX-SFHVURJKSA-N 364.355 4.210 10 1 FICF CC[C@H](CO)Oc1cc(NCc2ccccc2O)c2ncn(C(C)C)c2c1 61948939 OWNMJEDKQGMCIK-MRXNPFEDSA-N 369.465 4.085 10 3 FICF COC(=O)c1c(C)c(OC)cc(O)c1CNc1cc(Cl)cc(Cl)c1 28950808 QGHGMCGERQIQAB-UHFFFAOYSA-N 370.232 4.415 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2sccc2O)N1 587847855 YWGGUIDKCMPEHF-VXJOIVPMSA-N 356.260 4.153 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2sccc2O)N1 587847854 YWGGUIDKCMPEHF-GLEZIHRCSA-N 356.260 4.153 10 1 FICF Cc1cc(F)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587726528 JVZSRUYAUGEGAJ-JDNHERCYSA-N 368.221 4.365 10 1 FICF O=C1C(=O)[C@H](c2ccc(N3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 957747929 CZDODQBJPYJRHG-QFIPXVFZSA-N 373.408 4.031 10 1 FICF Cc1cc(F)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1O 587730706 XSDCOGDDGMOAHJ-FVMDXXJSSA-N 368.221 4.365 10 1 FICF COc1cccc2cc3c(nc12)[C@](C)(c1ccc(Cl)cc1O)NCC3 963059013 RRBHDBVDHPUPEP-FQEVSTJZSA-N 354.837 4.012 10 1 FICF COc1ccc(OC)c2c1NC(=O)/C2=C/c1c(Cl)[nH]c2ccccc12 169310825 RSZIXJIZNSKHFE-FMIVXFBMSA-N 354.793 4.331 10 1 FICF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587823063 SEZYLFVKJKFKHR-VOJFVSQTSA-N 364.258 4.400 10 1 FICF O=C(c1ccc(Cl)cc1)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O 299834040 QZHVGGSGUZYBNO-UHFFFAOYSA-N 368.797 4.114 10 1 FICF COc1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]23)cc1[N+](=O)[O-] 101199719 VGJSJDNAZISIOH-BIENJYKASA-N 366.373 4.128 10 1 FICF O=C(COc1ccc(Br)cc1)/N=N/c1c(O)[nH]c2ccccc12 103969454 GHXHDWHUSJJCMJ-FMQUCBEESA-N 374.194 4.325 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)nccc3[nH]1)[C@H]1CC=C[C@H]21 587277394 VGFYHIAUBDDXGW-NJSLBKSFSA-N 361.405 4.309 10 1 FICF CCN(CCN)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O 45290335 ARALOMWVKYWXMD-UHFFFAOYSA-N 370.884 4.118 10 1 FICF CCOC(=O)CCc1ccc(-c2ccc(OC)cc2)n1-c1ccc(O)cc1 84604030 VPDGQHWYIOCWNE-UHFFFAOYSA-N 365.429 4.354 10 1 FICF O=C1OC[C@H](c2ccc(N3CCCCC3)cc2)N1c1ccc2[nH]cnc2c1 116195382 GAQQUOTYMMOEAB-HXUWFJFHSA-N 362.433 4.251 10 1 FICF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587823069 SEZYLFVKJKFKHR-ZMZPIMSZSA-N 364.258 4.400 10 1 FICF COc1ccc2c(c1)c(/N=N/C(=N)S)c(O)n2CC(=O)c1ccccc1 103109251 VHEGUUCPTADMTQ-QZQOTICOSA-N 368.418 4.187 10 1 FICF CSc1ncc(CN2CCC(N(C)Cc3ccc(C)cc3)CC2)s1 299866060 VDDRCEQSPDSRTE-UHFFFAOYSA-N 361.580 4.270 10 1 FICF CCCCCCNc1ccc2c3c(nn2CCO)-c2ccccc2C(=O)c13 28758535 CZLODLQYFPCNSJ-UHFFFAOYSA-N 363.461 4.232 10 1 FICF Cc1cc(/N=N/Cc2ccc([N+](=O)[O-])cc2)c2cc3c(cc2n1)OCO3 169727995 NJRJEEKNXJJZOE-XUTLUUPISA-N 350.334 4.464 10 1 FICF CCO[C@H]1[C@H]2C(C)(C)CCC[C@@]23C(=O)O[C@@H]1c1cc(C(C)C)c(O)c(O)c13 238782349 FJMGWJZYOIMNBF-IWQHBPENSA-N 374.477 4.302 10 1 FICF O=NCc1ccc(-c2nc3c4c(ccc3[nH]2)C(=O)c2ccccc2C4=O)cc1 587189492 BIEAFXTWWUJQIC-UHFFFAOYSA-N 367.364 4.272 10 1 FICF CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1cnn(C)c1)c1ccccc1O 963230403 PJCXJMKNEXJAPD-GAJHUEQPSA-N 361.489 4.074 10 1 FICF COc1cc2c3c(c1)O[C@H](c1cc(C)n(-c4cc(C)ccn4)c1C)[C@@H](C2)C3=O 587431723 QPJOHMNCDQOXHG-FDDCHVKYSA-N 374.440 4.295 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(F)c2O)N1 587715294 BXFMMRLKUNHQLV-ZIDLFYJRSA-N 372.184 4.196 10 1 FICF CCc1ccc(O)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587823215 SRWRDICZIHJSPU-YPMLDQLKSA-N 364.258 4.480 10 1 FICF CN(C)Cc1ccn2c(Nc3cccc(F)c3)c(-c3ccccn3)nc2c1 2382237683 XSEYBVZFUOKTGS-UHFFFAOYSA-N 361.424 4.341 10 1 FICF CC(=O)O[C@H](CC/C=C/c1ccc(O)cc1)CCc1ccc(O)c(O)c1 64504105 QSIWSPJKOPVWIU-NLJSWGTCSA-N 356.418 4.161 10 1 FICF biogenic,in-vitro CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)/C1=C(/O)O[C@H]1CCC[C@H]1C 617964406 YLSGWCSZBKUAMW-XAXSNMQCSA-N 373.522 4.118 10 1 FICF CC(=O)OC[C@]1(C)CCC[C@]2(C)c3c(cc(C(C)C)c(O)c3O)C(=O)C[C@@H]21 2356338100 MWKQZQOBWYIJHX-WTNAPCKOSA-N 374.477 4.435 10 1 FICF Oc1cc(Cc2ccccc2)c(Br)c(Br)c1O 53314260 CTKIWTUENCWZAE-UHFFFAOYSA-N 358.029 4.214 10 1 FICF CN(C)c1ccc2[nH]c(Cl)c(/C=C3/C(=O)N(C)c4ccc(O)cc43)c2c1 58576612 AXGRAOHNMGUNCR-MHWRWJLKSA-N 367.836 4.110 10 1 FICF Clc1cc2c(cc1C/N=N/c1nnc3c(n1)[nH]c1ccccc13)OCO2 169685588 SCTVRXQQPWBIGS-FCDQGJHFSA-N 366.768 4.172 10 1 FICF O=C(O)[C@H]1CCN(c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1 1772622359 UQCQBIIVOAGZIQ-LBPRGKRZSA-N 366.244 4.483 10 1 FICF Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(C(F)(F)F)cc1 2382218895 ORQKDFNKRPPNAB-ZSOIEALJSA-N 366.364 4.437 10 1 FICF Cc1c(NC(N)=O)cccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587239133 IHSIWUSQSUJSPF-UHFFFAOYSA-N 373.416 4.403 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(F)c2O)N1 587722168 RMSLKFCPAJQWMT-NZFNHWASSA-N 372.184 4.196 10 1 FICF CO[C@]12C(=O)c3ccccc3C(=O)[C@H]1C(c1ccccn1)=C2c1ccccc1 96934697 CSPNPKODKGANTC-QPPBQGQZSA-N 367.404 4.087 10 1 FICF O=C(/N=N/c1c(O)[nH]c2ccc(Br)cc12)c1ccc(O)cc1 103969463 IDEQCWFCUOTPNZ-VHEBQXMUSA-N 360.167 4.266 10 1 FICF O=C1c2ccccc2C(=O)c2c1ccc1nc(CCc3ccccc3F)[nH]c21 587149218 IKDCIODPACEQPK-UHFFFAOYSA-N 370.383 4.263 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2O)N1 587723658 YIKAKXGJLDWZCX-GLEZIHRCSA-N 354.194 4.057 10 1 FICF O=C(C(=O)c1ccc(Cl)cc1Cl)c1cn(C2CCCCC2)nn1 96932340 FFXUZSGEPQAPGU-UHFFFAOYSA-N 352.221 4.156 10 1 FICF CC(=O)Nc1ccc(-c2ccc(OCc3cc(C(=O)O)oc3C)cc2)cc1 169343484 UCEQHFNUULFXBI-UHFFFAOYSA-N 365.385 4.491 10 1 FICF Oc1csc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c1 962637798 KCKIAKOMUGVOJJ-GCJKJVERSA-N 362.498 4.290 10 1 FICF Cc1cc(C(=O)O)c2[nH]c(-c3ccc(-c4ccc(O)c(O)c4)cc3)nc2c1 168635292 WTBXDLPDTCURHJ-UHFFFAOYSA-N 360.369 4.315 10 1 FICF Nc1ccc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)nc1 224811018 BXJJBRDSNZYMNU-UHFFFAOYSA-N 373.391 4.301 10 1 FICF CCC(=O)N[C@H](c1ccc(F)cc1)c1cc(Cl)c2cccnc2c1O 36380479 QCMDNDMKDRHVOY-QGZVFWFLSA-N 358.800 4.349 10 1 FICF Cc1ccc(O[C@H](C)C(=O)/N=N/c2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 101685100 JWRSZJDHFCTUEJ-PQOIGDABSA-N 368.349 4.168 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(N(C)C)cc2)N1 587756617 RJPBRJBDZIEGDM-VOJFVSQTSA-N 363.274 4.278 10 1 FICF Cc1ccc2ccc([C@@H](Nc3ncccn3)c3ccccc3F)c(O)c2n1 1772602198 OFCVTCQHWFXUMV-IBGZPJMESA-N 360.392 4.379 10 1 FICF CC(C)[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Cl)ccc2O)N1 4729611 SRVKWLXVSOAVPE-OXJNMPFZSA-N 372.852 4.280 10 1 FICF CC(C)(C)/N=N/Cc1c(O)n(-c2ccc(Cl)cn2)c(=O)c2ccccc12 169691607 FOAARANOQOYILA-GHVJWSGMSA-N 370.840 4.495 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cncc(C)c3[nH]1)[C@@H]1CC=C[C@H]21 587275231 AIIAKZKGSPJTAZ-KSMMKXTCSA-N 361.405 4.309 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(F)cc2O)N1 587720044 QXYJPMJTWDEHNE-HYORBCNSSA-N 372.184 4.196 10 1 FICF CCCCc1cc2c(c(O)c1O)C(=O)N(Cc1ccc(F)c(Cl)c1)C2 95559515 KVIQPVBHOWUTFH-UHFFFAOYSA-N 363.816 4.389 10 1 FICF Cc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587830233 CDGFYQYTJYRSHT-QLJPJBMISA-N 350.231 4.226 10 1 FICF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCC(=O)O)c1cc(C)ccc1O 963238125 ZNSWMTKJGNZISW-UZUQRXQVSA-N 367.489 4.466 10 1 FICF CCCCNCc1cc(C(C)(C)C)cc(I)c1O 27858341 IRHMAWYHKJFRSN-UHFFFAOYSA-N 361.267 4.184 10 1 FICF [N-]=[N+]=NCCOCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1 222433057 YEMUWSMAMWXZGO-UHFFFAOYSA-N 351.362 4.166 10 1 FICF CCCC[C@H](C)C(=O)c1c(C)cc2c(c1O)C(=O)c1c(O)cccc1C2=O 2356340996 CSGFQFVGUBKULF-NSHDSACASA-N 366.413 4.191 10 1 FICF NCCNCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26579096 KDBDIVVITSSJRH-UHFFFAOYSA-N 356.473 4.222 10 1 FICF CN(CCCCC(=O)O)c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1 58650441 QLLZAVDYYAQESE-AATRIKPKSA-N 354.406 4.456 10 1 FICF in-vivo O=C(COc1ccccc1Br)/N=N/c1c(O)[nH]c2ccccc12 103969945 BEYWGJXOMSGDPT-FMQUCBEESA-N 374.194 4.325 10 1 FICF Nc1ccc(Oc2ccc3nc([C@@]4(N)C[C@@H]4c4ccccc4F)[nH]c3c2)cc1 587157309 SHBMTLMIQWLWEZ-VGOFRKELSA-N 374.419 4.418 10 1 FICF COC(=O)[C@@]12CCCC(C)(C)[C@@H]1CC(=O)c1cc(C(C)C)c(O)c(O)c12 2356704981 PMVQDYBTFTZMHF-BTYIYWSLSA-N 360.450 4.045 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)cc2O)N1 587735562 XSJVSQDQTJWRQV-ZKANADHPSA-N 354.194 4.057 10 1 FICF COc1cccc2c1C(=O)c1c(cc(C)c(C(=O)CCC(C)C)c1O)C2=O 238784455 UTEPMKLQNWHSIP-UHFFFAOYSA-N 366.413 4.104 10 1 FICF COc1cccc2c3c(n(CCCOc4ccc(Cl)cc4)c12)CNCC3 1857591313 RTHMUBFJVOVGTQ-UHFFFAOYSA-N 370.880 4.418 10 1 FICF Cc1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O 103279564 BRMQUCUHSDODTM-QZQOTICOSA-N 368.418 4.312 10 1 FICF Oc1csc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962637793 KCKIAKOMUGVOJJ-AVRDEDQJSA-N 362.498 4.290 10 1 FICF CC(=O)c1cccc2c1C(=O)c1cccc(OCc3ccccc3)c1C2=O 103243264 UDMJRGPNLHPJHR-UHFFFAOYSA-N 356.377 4.244 10 1 FICF Cc1[nH]n(C(=O)c2ccncc2)c(=O)c1/N=N/c1ccc2ccccc2c1 169686785 QIPBZZNGDFGIGU-GHVJWSGMSA-N 357.373 4.137 10 1 FICF COC(=O)/C=C/c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 653899410 VVJQFFWSPOGJPR-QPJJXVBHSA-N 352.217 4.497 10 1 FICF CN(C)c1ccc(NC2=NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1 3032685 IMBPPRBRYQSTBE-WJDWOHSUSA-N 357.866 4.488 10 1 FICF Cc1ccc(C(=O)Nc2ccc(CCc3ccc(O)c(O)c3)cc2)c(O)c1 28091094 IMMNNRIFGVWNFG-UHFFFAOYSA-N 363.413 4.149 10 1 FICF Cc1c(CN2CCOCC2)cc(Cc2ccccc2)n1-c1ccc(F)cc1 1857766294 QMEURKMGYCDIIC-UHFFFAOYSA-N 364.464 4.348 10 1 FICF COc1cccc2c1[C@@H](/C=C/c1ccccc1)[C@@H]([C@@H](O)CN=[N+]=[N-])OC2 169332612 WQGWJXORQCSWKT-UCDWKFIHSA-N 351.406 4.062 10 1 FICF O=c1c(Oc2ccc(F)cc2)c(C(F)(F)F)oc2c(O)c(O)ccc12 5634978 IVODXPMHTSHMPV-UHFFFAOYSA-N 356.227 4.154 10 1 FICF CCOc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1O 95771718 BREPETIJSWYJKA-WJDWOHSUSA-N 363.504 4.325 10 1 FICF CCn1cc(C(=O)O)c(=O)c2cc(F)c(/N=N/Cc3ccccc3)cc21 169688290 LNUNFTNNBOZCNL-QURGRASLSA-N 353.353 4.143 10 1 FICF O=C(O)Cc1ccc(N=Nc2c(O)c(C(=O)O)cc3ccccc23)cc1 261174441 UNQQNQMZKMGLBJ-UHFFFAOYSA-N 350.330 4.286 10 1 FICF COc1cc(/C=C\c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(O)c1O 587785852 OVYFDIJYMATJPO-IHWYPQMZSA-N 368.286 4.311 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)nccc3[nH]1)[C@@H]1CC=C[C@H]21 587277392 VGFYHIAUBDDXGW-KSMMKXTCSA-N 361.405 4.309 10 1 FICF CO[C@@H]1CCc2c(cc(-c3ccccc3)n2-c2ccc(O)c(C(=O)O)c2)C1 39194386 RUHKAQGPNWCTGC-QGZVFWFLSA-N 363.413 4.052 10 1 FICF CCc1nc(N)nc(N)c1-c1ccc(Cl)c(/N=N/N2CCCCC2)c1 13762627 NTQYZFUEVRFWOM-WCWDXBQESA-N 359.865 4.008 10 1 FICF Oc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1CN1CCOCC1 27555620 LLRKCIWTJUABQY-UHFFFAOYSA-N 369.852 4.170 10 1 FICF COC1=C[C@]23C[C@H](C[C@H](c4ccc5c(c4)OCO5)[C@H]2C)OC3=CC1=S 29394177 WIFYOBIYNQFFIB-KXXATPMCSA-N 356.443 4.112 10 1 FICF COc1cccc(-n2ncc3c(/N=N/Cc4ccc(C)cc4)ncnc32)c1 169685274 WEHRRENXXBNLOZ-WJTDDFOZSA-N 358.405 4.416 10 1 FICF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cc(C(=O)OC)ccc1O 963242376 PMLNYOUDQYAYEU-NYHFZMIOSA-N 353.462 4.099 10 1 FICF Cc1sc2c(c1C)CCN[C@H]2c1cc(Br)c(F)c(F)c1O 963007810 IGXXQDRHEPLORO-ZDUSSCGKSA-N 374.250 4.346 10 1 FICF Cc1cc(O)c2c(c1Br)[C@@H]1[C@H](C(C)C)CC[C@]1(C)C(=O)C2=O 2356801291 RLTGEHPNJVMPKI-KCJDHBRGSA-N 365.267 4.384 10 1 FICF COc1ccc(Cn2c3c(c4c2-c2ccccc2C4=O)C(=O)CCC3)cc1 73314421 WXZPMRFNTJNHPE-UHFFFAOYSA-N 357.409 4.275 10 1 FICF COc1cc(O)c(-c2ccc3c(c2O)[C@@H](C)N[C@@H](C)C3)c2cccc(O)c12 2356513090 RCBMZBBWDFPGEI-NWDGAFQWSA-N 365.429 4.227 10 1 FICF Cc1ccc(N2C(=O)/C(=C\c3cc4ccccc4[nH]3)C(O)=NC2=S)cc1 45338874 JRLBOPHGCVXVIQ-WJDWOHSUSA-N 361.426 4.148 10 1 FICF Cc1ccc(SCc2nc3c(Cn4ccnc4)c(O)ccc3n2C)cc1 64559576 FSMGMDAFIQLDTN-UHFFFAOYSA-N 364.474 4.124 10 1 FICF C/C(=C(/C)c1ccc(O)c(CN(C)C)c1)c1ccc(O)c(CN(C)C)c1 82150519 FMGITJHLDADMNC-FOCLMDBBSA-N 354.494 4.172 10 1 FICF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(O)c(O)cc1C3 587207863 YDXTVTUPASHUKY-UHFFFAOYSA-N 351.361 4.429 10 1 FICF COc1ccc2c(c1)[C@](C)(c1cc(Cl)c(O)cc1O)N(C(C)C)CC2 962093030 SFZAVTWZTMWSGG-HXUWFJFHSA-N 361.869 4.290 10 1 FICF CCN(CC)Cc1cc(-c2ccc([C@H](C)C(=O)OC)cc2F)ccc1O 1857558825 NQDQAYUGMYNDEF-AWEZNQCLSA-N 359.441 4.317 10 1 FICF O=c1oc(-c2cc(Cl)cc(Cl)c2)nn1Cc1cc(Cl)ccc1O 35242375 RYJJSCOSTINHIY-UHFFFAOYSA-N 371.607 4.217 10 1 FICF CCOC(=O)c1cc(C)n(-c2cc(F)c(Br)cc2F)c1C 587943653 MHLFBGVTHYAXMS-UHFFFAOYSA-N 358.182 4.312 10 1 FICF COc1ccc2c(c1)c([C@@H]1CC(=O)c3cc(C)cc(N)c3O1)c(C)n2C 587391067 OYKXNZNLMBJPTB-IBGZPJMESA-N 350.418 4.092 10 1 FICF CCCCC=CCc1c(O)c(O)cc2oc3cc(O)cc(O)c3c(=O)c12 2382226200 MODWTZWXOFCNKE-UHFFFAOYSA-N 356.374 4.058 10 1 FICF CC(C)(C)c1ccc2[nH]c(SCC(=O)c3ccc(O)c(O)c3)nc2c1 13782381 YLKZESHCJSYKJX-UHFFFAOYSA-N 356.447 4.247 10 1 FICF CCOc1ccc(N2CC(Oc3ccc([C@@H](C)CC(C)=O)cc3)C2)cc1 96172831 DOVPCYYQOKYVJQ-INIZCTEOSA-N 353.462 4.436 10 1 FICF O=C(O)c1cc(/N=N/Cc2ccc(N3CCOCC3)s2)ccc1Cl 169688559 LXZAZJRKOMKXSF-VHEBQXMUSA-N 365.842 4.220 10 1 FICF COc1cc(/C=C\c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(O)c1O 587784699 CHNRZFBQWQLPQD-IHWYPQMZSA-N 352.724 4.085 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(O)cc(F)cc2F)N1 587721111 OTEPWSHLERJBHM-VGDKGRGNSA-N 372.184 4.196 10 1 FICF Cc1ccc(O)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587824361 ZZAHJZCEGDHSJS-VOJFVSQTSA-N 364.258 4.400 10 1 FICF CC(=O)Oc1ccc([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)c(O)c1 962662943 DBRJRIOYBZHFOI-DEOSSOPVSA-N 373.452 4.394 10 1 FICF COc1cc(Br)cc([C@@H]2NCCc3c2sc(C)c3C)c1O 963027458 QBLHWWJDTQQGBV-AWEZNQCLSA-N 368.296 4.077 10 1 FICF O=S(=O)(Nc1cccc2ncccc12)c1cc(Cl)cc(Cl)c1O 1251383654 CULXGCRNHXTGHB-UHFFFAOYSA-N 369.229 4.048 10 1 FICF CCCN1CCc2c([nH]c3ccc(CC)cc23)[C@H]1c1ccc(O)c(O)c1 71294826 NWFSXZUZRXELBU-JOCHJYFZSA-N 350.462 4.499 10 1 FICF CN1CCC(=C2c3cc(Br)ccc3CCn3cccc32)CC1 28109242 RIMBOKHKNOGJRQ-UHFFFAOYSA-N 357.295 4.334 10 1 FICF O=C(COc1ccccc1)/N=N/c1c(O)[nH]c2ccc(Br)cc12 103969896 ZQNXJLHJFKBYHE-FMQUCBEESA-N 374.194 4.325 10 1 FICF COc1cc(NCc2ccc3n2-c2ccccc2OC3)cc(OC)c1OC 1662785 ABSFLCYOGKBJHW-UHFFFAOYSA-N 366.417 4.008 10 1 FICF CC(=O)N[C@H](c1cccc(Cl)c1)c1cc(Cl)c2cccnc2c1O 2921267 UCMRVHRULHFQGL-MRXNPFEDSA-N 361.228 4.473 10 1 FICF COc1cccc2c1[C@H](/C=C/c1ccccc1)[C@H]([C@@H](O)CN=[N+]=[N-])OC2 195341005 WQGWJXORQCSWKT-BHUFXXOFSA-N 351.406 4.062 10 1 FICF O=C(O)CCN1C(=O)/C(=C\c2cccc(-c3ccccc3)c2)SC1=S 209389471 ZRWKOPIQBIOADA-FOWTUZBSSA-N 369.467 4.030 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(F)cc2O)N1 587712838 AKLGKDHGMPCWST-VGDKGRGNSA-N 372.184 4.196 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(O)cc3[nH]1)[C@@H]1CC=C[C@@H]21 587275619 FAZVLGCLJHWHFZ-LPMFXHHGSA-N 362.389 4.312 10 1 FICF COc1ccc(OC)c(-c2ccc(O)c(CNCCc3ccccc3)c2)c1 12132181 ARLXUIYUADJNAA-UHFFFAOYSA-N 363.457 4.409 10 1 FICF Cn1c(SCC(=O)/N=N/c2c(O)[nH]c3ccccc23)nc2ccccc21 100645060 PDXGXKZFAVGNNQ-QURGRASLSA-N 365.418 4.163 10 1 FICF CN(CCO)c1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1 587192738 AUAVBRVXNGTHGG-UHFFFAOYSA-N 369.774 4.331 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)ccc2O)N1 587734810 VWCNSGBKIQPETE-XYZCENFISA-N 368.221 4.231 10 1 FICF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCCC4)cc1C)[C@@H](C2)C3=O 587443873 MLXLIWAJMZLNGA-CVDCTZTESA-N 363.457 4.483 10 1 FICF CC(C)CCn1c2c(c3ccc(O)cc31)CCn1c-2nc2ccccc2c1=O 1911580623 TVRRGXDILJCSHV-UHFFFAOYSA-N 373.456 4.326 10 1 FICF Oc1ccc(C/N=N/c2nc(-c3cccnc3)nc3ccccc23)c(O)c1 169686807 OFKRLFWDTULWEB-YYDJUVGSSA-N 357.373 4.387 10 1 FICF COc1cccc(N=Nc2c(N)nn3c(O)cc(-c4ccccc4)nc23)c1 253531455 QWZDAYOWZVUNRA-UHFFFAOYSA-N 360.377 4.108 10 1 FICF CCCOc1ccc(N2CC(c3ccc(C[C@H](C)NC(C)=O)cc3)C2)cc1 145742578 GJQDVNBOTIKJBR-KRWDZBQOSA-N 366.505 4.146 10 1 FICF COc1cccc(-c2cn(C)c3c(/N=N/Cc4ccncc4)ncnc23)c1 169685222 ZKXPQZDDINKFGH-OCOZRVBESA-N 358.405 4.323 10 1 FICF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCCC4)cc1C)[C@@H](C2)C3=O 587443875 MLXLIWAJMZLNGA-WMZHIEFXSA-N 363.457 4.483 10 1 FICF CC[C@@H](CO)Oc1cc(NCc2ccccc2O)c2ncn(C(C)C)c2c1 61948937 OWNMJEDKQGMCIK-INIZCTEOSA-N 369.465 4.085 10 3 FICF CC(=O)O[C@@H](CCCCc1ccc(O)cc1)CCc1ccc(O)c(O)c1 64528086 FNZIZWQXFYAOOE-IBGZPJMESA-N 358.434 4.081 10 1 FICF biogenic,in-vitro O=C1C(=O)[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)c2ccccc21 169721148 MFSXZKGQLFZRCM-OAQYLSRUSA-N 370.404 4.073 10 1 FICF COC(=O)c1cc(/N=N/c2c(C)[nH]c3ccccc23)cc(C(=O)OC)c1 101761024 IFOLSFOOWQDBTN-QURGRASLSA-N 351.362 4.465 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2O)N1 587728093 CRVGYEUELGWAFI-VPTHRUTESA-N 354.194 4.057 10 1 FICF CC(=O)Nc1ccc([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)c(O)c1 962666859 SPQCNOUOSYDEFV-XMMPIXPASA-N 372.468 4.427 10 1 FICF Nc1ccc(CCN2CC[C@]34CCCC[C@H]3[C@H]2Cc2ccc(O)cc24)cc1 5161858 ZRCMOECJOLTRBV-QPTUXGOLSA-N 362.517 4.276 10 1 FICF COc1ccc([C@@H]2COc3cc4c(cc3C2)C=CC(C)(C)O4)c(O)c1O 14713101 STXURYHMSXFGTA-AWEZNQCLSA-N 354.402 4.009 10 1 FICF biogenic CN(CCO)c1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 587192824 FQFJEDOHKZULRU-UHFFFAOYSA-N 373.456 4.237 10 1 FICF Oc1ccc2nc(O)c3c(oc4ccc(O)c(CN5CCCCC5)c43)c2c1 2382221947 SRYOUJXRPSZWSJ-UHFFFAOYSA-N 364.401 4.237 10 1 FICF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(O)c(O)c1)CC2=O 587488992 LVVQPOXMQFWQRF-OAQYLSRUSA-N 356.418 4.113 10 1 FICF CC(=O)OC[C@H](C)c1cc2c(c(O)c1O)[C@]1(C)CCCC(C)(C)[C@H]1CC2=O 2356470500 CJYNUSAOAPXPPP-UZWKXWHHSA-N 374.477 4.435 10 1 FICF CCOc1ccccc1-c1nc(CN(CC)c2ccc3c(c2)OCO3)co1 72183434 KXCXXMKJWXQTIE-UHFFFAOYSA-N 366.417 4.496 10 1 FICF O=C(CSc1nc2ccccc2[nH]1)/N=N\c1c(O)[nH]c2ccccc12 102651229 RKZSGFXYNPECBB-DQRAZIAOSA-N 351.391 4.152 10 1 FICF CCC(=O)N[C@@H](c1ccc(F)cc1)c1cc(Cl)c2cccnc2c1O 38141981 QCMDNDMKDRHVOY-KRWDZBQOSA-N 358.800 4.349 10 1 FICF [N-]=[N+]=NCCOCCOc1ccc(-c2cc(=O)c3cc(F)ccc3o2)cc1 222386998 GKXMESBXQIQUST-UHFFFAOYSA-N 369.352 4.305 10 1 FICF CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c3ncccc23)cc1 145512545 GMVIQOFCAZWKRR-UHFFFAOYSA-N 356.447 4.039 10 1 FICF Cc1nc(C)c(Cc2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)s1 587012361 QYGWQNJTWNHGGV-UHFFFAOYSA-N 373.437 4.002 10 1 FICF COc1cccc2cc3c(nc12)[C@H](c1ccc2ccccc2c1O)NCC3 963063098 ZHFOWMFKVGHQHD-QFIPXVFZSA-N 356.425 4.337 10 1 FICF CC[C@H](C)c1cc(=O)c2c(C)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O 13369471 QQECFRNTAOTDHI-JTQLQIEISA-N 362.381 4.096 10 1 FICF biogenic CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OC4CC4)cc3)C2)cc1 149926355 SAQVAZQVMDUTDE-HNNXBMFYSA-N 350.462 4.029 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(F)c2O)N1 587716991 FDJCLHQCYAACMG-ZIDLFYJRSA-N 372.184 4.196 10 1 FICF Oc1ccc2[nH]c(-c3cccc(F)c3F)nc2c1CNCc1ccco1 84604834 SHVYQGGWFJHSCU-UHFFFAOYSA-N 355.344 4.097 10 1 FICF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587823034 SBYMXAMNJIZGDA-QGHHPUGFSA-N 350.231 4.226 10 1 FICF CCc1ccccc1[C@H]1CC(c2ccc(O)cc2)=NN1C(=O)c1cccnc1 1772642031 OHRQEIKSIPFGHN-JOCHJYFZSA-N 371.440 4.341 10 1 FICF CNc1ccccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1 220112919 VTEJQKJEVSIKMI-UHFFFAOYSA-N 372.350 4.149 10 1 FICF COc1cc(O)c([C@H]2CCCCN2C)c2oc(-c3ccccc3)cc(=O)c12 1653934 XLJBNMLKEZOFPM-OAHLLOKOSA-N 365.429 4.331 10 1 FICF biogenic COc1cc([C@@]2(C)NCCc3cc(C)c(F)cc32)c(O)c2ccccc12 962143056 HXUOAFXAIRTVHS-QFIPXVFZSA-N 351.421 4.411 10 1 FICF O=S(=O)(O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 26841822 ZWNIHGLMXRSUGP-UHFFFAOYSA-N 350.399 4.378 10 1 FICF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cc(C(=O)OC)ccc1O 963242377 PMLNYOUDQYAYEU-OYHNWAKOSA-N 353.462 4.099 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(F)cc2O)N1 587712832 AKLGKDHGMPCWST-HYORBCNSSA-N 372.184 4.196 10 1 FICF COc1cc(O)c(-c2ccc3c(c2O)[C@H](C)N[C@H](C)C3)c2cccc(O)c12 2356513089 RCBMZBBWDFPGEI-NEPJUHHUSA-N 365.429 4.227 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)cc2O)N1 587735559 XSJVSQDQTJWRQV-BCTVWOGZSA-N 354.194 4.057 10 1 FICF CN(C)CCN/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 28646534 GOVBHWZRXMKGIA-UHFFFAOYSA-N 369.860 4.177 10 1 FICF COc1cccc(-n2ncc3c(/N=N/[C@@H](C)c4ccncc4)ncnc32)c1 169685285 RCDPINCYPCBQQS-UJJCNQHWSA-N 359.393 4.064 10 1 FICF C[C@@]1(c2cc(OCc3ccccc3)ccc2O)NCCc2ccc(O)cc21 963343772 WOXBNUBYUAKWIX-HSZRJFAPSA-N 361.441 4.086 10 1 FICF O=[N+]([O-])c1cncc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587081083 RHHQMQBUFYMCNI-USBNGQNGSA-N 367.796 4.346 10 1 FICF O=[N+]([O-])c1cnc2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 587081747 ZRBRPNIZWVANAI-OZVIIMIRSA-N 367.796 4.346 10 1 FICF COc1cc(/C=C/c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(O)c1O 587785585 NXIZSYSGPUHWQO-NSCUHMNNSA-N 368.286 4.311 10 1 FICF O=C(CSc1nc2ccccc2[nH]1)N=Nc1c(O)[nH]c2ccccc12 299813107 RKZSGFXYNPECBB-UHFFFAOYSA-N 351.391 4.152 10 1 FICF CC[C@]1(c2ccc(O)c(O)c2)c2cccc(Br)c2CCN1C 963279664 IKKASKGOGYXROV-SFHVURJKSA-N 362.267 4.002 10 1 FICF CN1CCCC[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccccc3)oc12 15114137 BBZGOLNDVQZCIH-AWEZNQCLSA-N 351.402 4.028 10 1 FICF biogenic,in-vitro CC(C)c1nn(C)c2c1[C@](C)(c1cc(-c3ccccc3)ccc1O)NCC2 962913286 CECPXCRVQOQAMU-QHCPKHFHSA-N 361.489 4.325 10 1 FICF COc1cc(/C=C\c2nc3cc(Cl)c(Cl)cc3[nH]2)cc(O)c1O 587785925 PWELYRJKUJXVEM-IHWYPQMZSA-N 351.189 4.460 10 1 FICF CC(C)(C)NC(=O)/C=C/c1ccc(O)c2oc(-c3ccc(O)c(O)c3)cc12 1857769810 RQWWCSZFLUDESJ-RMKNXTFCSA-N 367.401 4.145 10 1 FICF CCn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1CCCC[C@H]1C 1355514 PRQVFYLREZZPTG-CQSZACIVSA-N 361.486 4.202 10 3 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)nccc3[nH]1)[C@@H]1CC=C[C@@H]21 587277393 VGFYHIAUBDDXGW-LPMFXHHGSA-N 361.405 4.309 10 1 FICF CCO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@@H]2[C@H]1OC3=O 103134522 HEUIVINVBVPWCU-GHDARCQNSA-N 374.477 4.302 10 1 FICF biogenic O=C1N(c2ccccc2)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 28824754 AVHGVNUKOVLQOX-NRFANRHFSA-N 357.438 4.216 10 1 FICF CCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1C 84652475 VDCZDLPJQQUCEY-BYLLTDDTSA-N 365.433 4.419 10 1 FICF CC[C@]1(c2ccccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587835782 YEUFCQLFQDVVLU-ADLMAVQZSA-N 364.258 4.482 10 1 FICF COC(=O)C1=C(O)/C(=C\c2cc(C)n(-c3ccccc3C)c2C)N=C1C 101636496 OMMWYDMFRPIBCS-GZTJUZNOSA-N 350.418 4.203 10 1 FICF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3cnc(Cl)[nH]c-3n1)N2 587078610 XJIMFIPFSNJHCB-RBZYPMLTSA-N 358.232 4.438 10 1 FICF N[C@@H](C[C@@H](C/C=C/c1ccc(/N=N/c2ccccc2)cc1)C(=O)O)C(=O)O 35090113 MUSRDKYERZDIAD-MTDKYJNHSA-N 367.405 4.008 10 1 FICF in-vitro CC[n+]1c(/C=C/c2ccc(N(C)C)cc2)sc2ccc(C(=O)OC)cc21 5128445 AYJPABWQKRSOGM-UHFFFAOYSA-N 367.494 4.232 10 1 FICF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587822189 LRMZAQWNEZUKHC-DYZYQPBXSA-N 350.231 4.226 10 1 FICF Nc1ccc(/C=C/c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)cc1 587251704 LWCUKNSVRUFOJO-KPKJPENVSA-N 365.392 4.091 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2O)N1 587733720 RYJWXOSWKHPURH-BCTVWOGZSA-N 354.194 4.057 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(F)cc2O)N1 587720046 QXYJPMJTWDEHNE-VGDKGRGNSA-N 372.184 4.196 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2O)N1 587832571 JXXWAWBNOMHMOD-DYZYQPBXSA-N 350.231 4.092 10 1 FICF COC(=O)c1cc2c(c(O)c1O)[C@H](C)CC[C@@H]2[C@H](C)CCC[C@@H](C)CO 2356422961 LEWXVCOQFFOSMG-KBUPBQIOSA-N 364.482 4.300 10 1 FICF Nc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1 3815150 KMXFOTQAKQWIOA-UHFFFAOYSA-N 351.801 4.076 10 1 FICF Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccccc1C(F)(F)F 473153527 BOWXASOYPQCKAZ-RIYZIHGNSA-N 366.364 4.437 10 1 FICF O=C1C(=O)[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)c2ccccc21 169721149 MFSXZKGQLFZRCM-NRFANRHFSA-N 370.404 4.073 10 1 FICF COc1ccc2c(c1OC)[C@H](c1c(C)cc(N(C)C)cc1C)N(C)[C@H](C)C2 962576364 TWKXNWAEKBNDQX-ZHRRBRCNSA-N 368.521 4.352 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)ccc(F)c2F)N1 587714970 GSORCUMCUAHTDJ-GYKQLYQFSA-N 372.184 4.196 10 1 FICF CC1(C)CC(=O)[C@H]2C(=Nc3ccccc3N[C@@H]2c2cccc(O)c2O)C1 17730939 RLDJDBCCYQMCLV-RTBURBONSA-N 350.418 4.342 10 1 FICF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587819487 ANEDJXAZJYBCPJ-VOJFVSQTSA-N 364.258 4.400 10 1 FICF COc1cccc2c1[C@H](C=Cc1ccccc1)[C@@H]([C@H](O)CN=[N+]=[N-])OC2 1857622474 WQGWJXORQCSWKT-QKLQHJQFSA-N 351.406 4.062 10 1 FICF O=c1oc2cc(O)ccc2c2oc3ccc(O)c(CN4CCCCC4)c3c12 1857585183 SORWCEYAEWEEFV-UHFFFAOYSA-N 365.385 4.090 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cccc(O)c3[nH]1)[C@@H]1CC=C[C@H]21 587277653 ZOGPHRSPOVAHNE-JCGVRSQUSA-N 362.389 4.312 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2O)N1 587734807 VWCNSGBKIQPETE-HUTHGQBESA-N 368.221 4.231 10 1 FICF CCO[C@@H]1c2cc(C(C)C)c(O)c(O)c2[C@@]23CCCC(C)(C)[C@H]2[C@H]1OC3=O 100886981 HEUIVINVBVPWCU-MOXWOTFGSA-N 374.477 4.302 10 1 FICF biogenic Nc1ccc(Oc2ccc3nc(CC(=O)OCc4ccccc4)[nH]c3c2)cc1 587782540 OXXFKRXNEOTNFZ-UHFFFAOYSA-N 373.412 4.223 10 1 FICF CCCSC(=S)c1c(C)nn(-c2ccc(Br)cc2)c1O 1857771316 JUTOFOZJZYDMNT-UHFFFAOYSA-N 371.325 4.468 10 1 FICF C/C=C\C=C(/C)c1cc(=O)c2ccc3c(c2o1)C(=O)c1c(O)cccc1C3=O 238785293 MXHACBJMHHPURG-PRIXUFLXSA-N 372.376 4.253 10 1 FICF Cc1ccc(-c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(F)c1 587146502 OAESBPDSNVWLQJ-UHFFFAOYSA-N 356.356 4.453 10 1 FICF O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)c1ccccc1 1857599423 XVHBQTUMFYLJMZ-MHWRWJLKSA-N 373.886 4.424 10 1 FICF COc1ccc(O)c(CNCCCNc2ccnc3cc(Cl)ccc23)c1 49067022 BRQWHFHTBFSKAA-UHFFFAOYSA-N 371.868 4.194 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)ccc(F)c2F)N1 587712822 AJYSWORMLNQULX-HYORBCNSSA-N 372.184 4.196 10 1 FICF COc1cc(O)c2c(c1CC=C(C)C)O[C@@H](c1ccc(O)c(O)c1)CC2=O 14762705 QTHZKQQTHZVUHQ-GOSISDBHSA-N 370.401 4.027 10 1 FICF biogenic CS(C)=C(C(=O)CCCc1ccccc1)C(=O)CCc1ccccc1 45498398 SIYDSYBIPQEXLY-UHFFFAOYSA-N 354.515 4.481 10 1 FICF CCOc1ccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)cc1 96172832 DOVPCYYQOKYVJQ-MRXNPFEDSA-N 353.462 4.436 10 1 FICF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(Cl)cc(Cl)c1O 963634134 JOEVPZCBACIWHG-XYZCENFISA-N 368.260 4.340 10 1 FICF O=C1N=C(NCCCc2ccccc2)S/C1=C\c1ccc2ncccc2c1 28821260 XXTBGCDIWGVPDV-HKWRFOASSA-N 373.481 4.428 10 1 FICF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587822186 LRMZAQWNEZUKHC-BMLIUANNSA-N 350.231 4.226 10 1 FICF O=C(C(=O)c1ccccc1C(=O)N1CCCCC1)c1ccc(Cl)cc1 26263820 CUDHHXQLDYXQJP-UHFFFAOYSA-N 355.821 4.032 10 1 FICF CN(C)CCCNc1c2ccccc2nc2c(Cl)ccc([N+](=O)[O-])c12 5957724 KDWXFOYQRQEDCC-UHFFFAOYSA-N 358.829 4.313 10 1 FICF O=c1c2ccccc2nc(/C=C/c2cccnc2)n1Cc1cccc(F)c1 72137635 YLRGTGGRSQXFLM-ZHACJKMWSA-N 357.388 4.149 10 1 FICF CSc1ccc(C2=C(c3ccc(O)c(O)c3)C(=O)N3CCC[C@H]3C2)cc1 29404626 NXPXNHYSKFMLOB-HNNXBMFYSA-N 367.470 4.125 10 1 FICF CCCOc1ccc(N2CCN(c3noc(CC)n3)[C@@H](C(C)C)C2)c(C)c1 103252657 ZSZPJPDILVXOQO-LJQANCHMSA-N 372.513 4.080 10 1 FICF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCC(=O)O)c1cc(C)ccc1O 963238122 ZNSWMTKJGNZISW-SBUREZEXSA-N 367.489 4.466 10 1 FICF CC[C@@]1(c2ccccc2O)N[C@@H](C)Cc2cc(Br)c(F)cc21 587835786 YEUFCQLFQDVVLU-VOJFVSQTSA-N 364.258 4.482 10 1 FICF Cc1cc(F)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1O 587726527 JVZSRUYAUGEGAJ-FVMDXXJSSA-N 368.221 4.365 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2O)N1 587832569 JXXWAWBNOMHMOD-BTDLBPIBSA-N 350.231 4.092 10 1 FICF CCCCCO/C(O)=C1/C(C)=NC(=S)N[C@@H]1c1ccc(N(C)C)cc1 617964399 NCKMLASAWXEJAP-FXBHHXAOSA-N 361.511 4.119 10 1 FICF CC(C)c1nn(C)c2c1[C@@](C)(c1cc(-c3ccccc3)ccc1O)NCC2 962913284 CECPXCRVQOQAMU-HSZRJFAPSA-N 361.489 4.325 10 1 FICF O=C1NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccccc1Cl 40895216 ZPDTXZWNEOBTJE-YRNVUSSQSA-N 367.619 4.108 10 1 FICF CC(C)c1ccc(-n2ncc(Cl)c(Oc3ccc(N)cc3)c2=O)cc1 66128922 UFDPTXXGFXQFMA-UHFFFAOYSA-N 355.825 4.384 10 1 FICF CC(C)=CCc1cc2c(cc1O)oc(=O)c1c3cc(O)c(O)cc3oc21 43021437 QQFZXERRGYMNKV-UHFFFAOYSA-N 352.342 4.318 10 1 FICF biogenic CC1=NN(c2c3ccccc3nc3ccc(Br)cc23)C(=O)C1 49112997 LPAFGJIYWKGCRN-UHFFFAOYSA-N 354.207 4.263 10 1 FICF O=C1c2ccccc2-c2cc(-c3ccc(O)c(O)c3)nc3ccc(O)c1c23 586989969 BMJOPENENRQZOE-UHFFFAOYSA-N 355.349 4.230 10 1 FICF Oc1ccccc1CN1CCOC[C@@H]1c1ncc(-c2cccc(Cl)c2)[nH]1 2356300031 SIWVWHMLPVHNHA-GOSISDBHSA-N 369.852 4.009 10 1 FICF COc1cc(/C=C2/C=C(c3ccc(C)cc3C)OC2=O)cc(OC)c1OC 4832525 YNVUOIIBEUBQRB-SXGWCWSVSA-N 366.413 4.311 10 1 FICF Clc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1nc3nc(Cl)c[nH]c-3n1)N2 587078235 LXIHCJFIUSDMBN-RBZYPMLTSA-N 358.232 4.438 10 1 FICF Oc1ccccc1CN1CCN(Cc2ccccc2O)C1c1ccccc1 19329285 WAYSQYILMUUVIY-UHFFFAOYSA-N 360.457 4.114 10 1 FICF CC(=O)O[C@@H](CC/C=C/c1ccc(O)cc1)CCc1ccc(O)c(O)c1 64512333 QSIWSPJKOPVWIU-GVTIMSHASA-N 356.418 4.161 10 1 FICF biogenic,in-vitro CCOC(=O)c1ccc(Oc2ccc(O)c(CN)c2)c(Cl)c1Cl 29335713 CTKUHIQPSZVBAL-UHFFFAOYSA-N 356.205 4.127 10 1 FICF Cc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1O 587835108 VAEYMXNCVAKUCF-HWPZZCPQSA-N 350.231 4.226 10 1 FICF CN(C)CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)cc2)SC1=S 1857641204 BKXJJBFRQWADNO-NBVRZTHBSA-N 368.527 4.116 10 1 FICF Cc1ccc(O[C@@H](C)C(=O)N=Nc2c(O)[nH]c3ccc([N+](=O)[O-])cc23)cc1 253979270 JWRSZJDHFCTUEJ-NSHDSACASA-N 368.349 4.168 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(F)c2O)N1 587719182 PIANSNSAZUDDMF-ZIDLFYJRSA-N 372.184 4.196 10 1 FICF O=C(CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S)c1ccccc1 1857606694 PPQZAENVQAMVEX-MHWRWJLKSA-N 373.886 4.424 10 1 FICF COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1NC1CCCCC1 13651712 QULXZIPZAKONQB-UHFFFAOYSA-N 354.450 4.394 10 1 FICF Cc1ccnc(-n2c(C)cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2C)c1 587390359 PUARTLRGIWDZIC-HXUWFJFHSA-N 361.445 4.395 10 1 FICF COC(=O)Cc1ccccc1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587783370 QCCJLYKVXGAGOO-UHFFFAOYSA-N 373.412 4.320 10 1 FICF CC(C)Oc1ccc(-c2cc(=O)c3c(O)c(O)c(OC(C)C)cc3o2)cc1 103207992 OZLAQEFGBIKBQU-UHFFFAOYSA-N 370.401 4.446 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)ccc2O)N1 587728096 CRVGYEUELGWAFI-ZKANADHPSA-N 354.194 4.057 10 1 FICF CN1CCCC[C@@H]1c1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O 13383119 RVDLLAUEPCPXGP-CQSZACIVSA-N 351.402 4.028 10 1 FICF biogenic C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(F)c2O)N1 587722169 RMSLKFCPAJQWMT-ZIDLFYJRSA-N 372.184 4.196 10 1 FICF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1cc(C(=O)OC)ccc1O 963242375 PMLNYOUDQYAYEU-IVZQSRNASA-N 353.462 4.099 10 1 FICF CCOC(=O)N1C(=O)/C(=C\C=C\c2ccc(N(C)C)cc2)c2ccccc21 474604748 DSRMGPWSWGJUFD-ZMVJNSKBSA-N 362.429 4.353 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)cc2O)N1 587735168 WUUXZJGLHVYIBG-PWJLMRLQSA-N 354.194 4.057 10 1 FICF COc1ccc2c(c1)c1c(n2CCCOc2ccc(Cl)cc2)CNCC1 1857558377 VJMCRGIYOLLNRI-UHFFFAOYSA-N 370.880 4.418 10 1 FICF Oc1cc2c(cc1O)[C@@H]1c3sc(CC4CCCC4)cc3CN[C@H]1CC2 13762014 TZIQBANCPDRLOK-PXNSSMCTSA-N 355.503 4.442 10 1 FICF Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)[nH]c2n1 587275227 AHJQCHLHOFAHLJ-QWQRMKEZSA-N 361.405 4.309 10 1 FICF CNS(=O)(=O)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1 5140951 QASCKJBYFLNFPI-UHFFFAOYSA-N 363.442 4.040 10 1 FICF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587823033 SBYMXAMNJIZGDA-DYZYQPBXSA-N 350.231 4.226 10 1 FICF COc1ccc2c(c1)/C(=C\c1c(Cl)[nH]c3ccc(N(C)C)cc13)C(=O)N2 58591435 IFCSEKSMYSYUCD-MHWRWJLKSA-N 367.836 4.389 10 1 FICF COc1cccc(-n2ncc3c(/N=N/Cc4cccc(F)c4)ncnc32)c1 169685257 ZJTAYIAUWYSCGQ-WJTDDFOZSA-N 362.368 4.247 10 1 FICF O=C1c2[nH]c3ccccc3c2C(=O)c2cnc3cc(F)c(Cl)cc3c21 2382230800 DDFLFZZXMYTANM-UHFFFAOYSA-N 350.736 4.284 10 1 FICF CCOc1ccc(/C=C2\C(=O)N(c3ccccc3F)N=C2C)cc1OC 95557735 HQMNLRUVTGLTMZ-PTNGSMBKSA-N 354.381 4.039 10 1 FICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3cnc(Cl)s3)[nH]c21 587023642 SEHGXEJACAXHIL-UHFFFAOYSA-N 365.801 4.115 10 1 FICF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1cc(Cl)ccc1O 963048576 TZJWRUCUTZPZPJ-HXUWFJFHSA-N 354.837 4.012 10 1 FICF COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2cccc(Cl)c2)cc1OC 169723243 ULLNNJONKBEIPP-XUTLUUPISA-N 358.785 4.456 10 1 FICF Cc1cnc2[nH]c([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@@H]43)nc2c1 587275416 DMOPTJRGXZHNGF-SUNYJGFJSA-N 361.405 4.309 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(O)cc3[nH]1)[C@H]1CC=C[C@@H]21 587275622 FAZVLGCLJHWHFZ-TYILLQQXSA-N 362.389 4.312 10 1 FICF CCN1CCN(CCCCNc2c3ccccc3nc3ccccc23)CC1 45194413 AECIVIXXNVVOLT-UHFFFAOYSA-N 362.521 4.218 10 1 FICF CCCc1sc(=N)[nH]c1-c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1 587013362 MJFVFKYSDIFGMB-UHFFFAOYSA-N 365.462 4.426 10 1 FICF CC(C)n1c(O)c(/N=N/C(=O)[C@@H]2COc3ccccc3O2)c2ccccc21 101561432 FMYIKMKBBNKXQV-SIUCFOQUSA-N 365.389 4.378 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cccc2F)N1 587722095 QRZUNKWWJYHIIH-VVVCHXIZSA-N 368.221 4.231 10 1 FICF O=C1N=C(O)S/C1=C\c1ccc(CO)c(OCCC2CCCCC2)c1 169700812 XNYKDVCZVOTGEM-BOPFTXTBSA-N 361.463 4.056 10 1 FICF CC(=O)Nc1cccc(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1 587242490 MRQJTRUJCFASGA-UHFFFAOYSA-N 372.428 4.487 10 1 FICF Cc1ccc(/N=N\c2c(O)n(CN3CCOCC3)c3ccccc23)cc1 102677849 CCUONORJTUMTFB-DQRAZIAOSA-N 350.422 4.360 10 1 FICF CC=CC=C(C)c1cc(=O)c2ccc3c(c2o1)C(=O)c1c(O)cccc1C3=O 2356412289 MXHACBJMHHPURG-UHFFFAOYSA-N 372.376 4.253 10 1 FICF CNc1ccc(C2(c3ccc(NC)cc3)C(=O)c3ccccc3C2=O)cc1 98084686 ZLDNFPINCMVARU-UHFFFAOYSA-N 356.425 4.135 10 1 FICF O=C(Nc1ccc(CCCc2ccc(O)c(O)c2)cc1)c1ccccc1O 28088927 PCPZUSKKNDTJKB-UHFFFAOYSA-N 363.413 4.231 10 1 FICF COc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)c(OC)c1OC 1857594618 AMNVHNBNOPEQRJ-LFIBNONCSA-N 352.386 4.002 10 1 FICF CN1CCCC[C@H]1c1c(O)cc2oc(-c3ccccc3)cc(=O)c2c1O 14919720 RVDLLAUEPCPXGP-AWEZNQCLSA-N 351.402 4.028 10 1 FICF biogenic O=c1c2ccccc2nc(/C=C/c2cccnc2)n1Cc1ccc(F)cc1 72122624 VBLPDJMOBMUMFX-FMIVXFBMSA-N 357.388 4.149 10 1 FICF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(-c4cc(C)ccn4)c1C)[C@@H](C2)C3=O 587431724 QPJOHMNCDQOXHG-MBSDFSHPSA-N 374.440 4.295 10 1 FICF CCCCCCO[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 28388096 RMDUOUZGXLFUAC-NHCUHLMSSA-N 374.433 4.151 10 1 FICF CC(C)=CCc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2C)cc(O)c1O 238731285 XZSNFAOJOKIBCB-UHFFFAOYSA-N 368.385 4.100 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(F)c2O)N1 587715292 BXFMMRLKUNHQLV-MLXNANBUSA-N 372.184 4.196 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(O)cccc2F)N1 587719240 KRIGSKAACLXOIU-ZKANADHPSA-N 354.194 4.057 10 1 FICF Cc1ccc(O)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587824236 YZXRWNBISNKAED-DYZYQPBXSA-N 350.231 4.226 10 1 FICF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(Cl)cc(Cl)c1O 963634133 JOEVPZCBACIWHG-XLFHBGCDSA-N 368.260 4.340 10 1 FICF O=c1c2ccccc2nc(/C=C/c2cccnc2)n1Cc1ccccc1F 72134821 SGFHCQGFWULLLR-VAWYXSNFSA-N 357.388 4.149 10 1 FICF Nc1ccc(Oc2ccc3nc([C@@H]4COc5ccccc5O4)[nH]c3c2)cc1 586917399 DCZZYUKZUQMZLL-FQEVSTJZSA-N 359.385 4.450 10 1 FICF Nc1ccc(OCCCN[C@@H]2CCC[C@H]2CCCCCCC(=O)O)cc1 28007715 DJWGVYPFOAFSJA-YLJYHZDGSA-N 362.514 4.221 10 1 FICF CCO[C@@H]1[C@H]2OC(=O)[C@@]3(CCCC(C)(C)[C@H]13)c1c2cc(C(C)C)c(O)c1O 2356673009 FJMGWJZYOIMNBF-WEMPKCCASA-N 374.477 4.302 10 1 FICF O=S(=O)(Nc1cnc2ccccc2c1)c1cc(Cl)cc(Cl)c1O 64622520 IRJAOYFDNHGXJS-UHFFFAOYSA-N 369.229 4.048 10 1 FICF CC(C)n1c(O)c(/N=N/C(=O)[C@H]2COc3ccccc3O2)c2ccccc21 101561436 FMYIKMKBBNKXQV-BFQBXFRASA-N 365.389 4.378 10 1 FICF COc1cc2c3c(c1)O[C@@](CN=[N+]=[N-])(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587420528 IKQLVVCJFYPNQG-KSSFIOAISA-N 355.781 4.302 10 1 FICF CNc1cccc2c1C(=O)c1ccccc1[C@@]21NCCc2c1sc(C)c2C 963016249 XWLZUBZOMIRSBK-HSZRJFAPSA-N 374.509 4.389 10 1 FICF CC(=CCc1cc(O)ccc1O)CCc1c(C)c(O)c(O)c(C=O)c1C 2356596411 KTKUNEUPWDRROX-UHFFFAOYSA-N 356.418 4.060 10 1 FICF COc1cccc(C2=N[C@@H](c3cccnc3)N[C@@H](c3ccccc3O)C2)c1 84689034 XMXMJLSJLRCKJH-IFMALSPDSA-N 359.429 4.018 10 1 FICF CN(C)/C=C/c1nc(-c2ccccc2)cc2c1C(=O)c1ccccc1C2=O 96934759 CVFZXSFQTLTVKF-OUKQBFOZSA-N 354.409 4.056 10 1 FICF O=C1OC[C@H](c2ccc(N3CCCCC3)cc2)N1c1ccn2ccnc2c1 202252086 QAKFHMPHOGONGE-LJQANCHMSA-N 362.433 4.023 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(F)c2O)N1 587719700 LOIYRFIMKVQRSB-XYZCENFISA-N 368.221 4.231 10 1 FICF CCCCCC[n+]1c2c(n(CC(C)C)c1C)C(=O)c1ccccc1C2=O 1857540425 CAUUZGCKIDTNCR-UHFFFAOYSA-N 353.486 4.096 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)ccc2O)N1 587733724 RYJWXOSWKHPURH-VPTHRUTESA-N 354.194 4.057 10 1 FICF CC[C@H]1OCCC[C@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586914955 ZXRMTBWSAWBBRF-RHSMWYFYSA-N 360.413 4.011 10 1 FICF CC(C)=CCC/C(C)=C/C[C@]12O[C@@]1(C)C(=O)c1c(O)cc(O)cc1C2=O 15120529 QTORDDSSLVGNHO-BGTMZHHNSA-N 356.418 4.087 10 1 FICF in-vitro Nc1ccc(Nc2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)cc1 222072587 CWKAMSLBSGZMJZ-UHFFFAOYSA-N 357.421 4.300 10 1 FICF in-vitro C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2O)N1 587727731 PHNXCFCXTICZDJ-VVVCHXIZSA-N 368.221 4.231 10 1 FICF CCN(CC)c1ccc(/C=C2/SC(Nc3ccc(O)cc3)=NC2=O)cc1 299855628 BBTWBAKSJVKDKO-QGOAFFKASA-N 367.474 4.321 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(F)c2O)N1 587719176 PIANSNSAZUDDMF-MLXNANBUSA-N 372.184 4.196 10 1 FICF COc1ccc([C@@H]2COc3c(ccc(O)c3CC=C(C)C)C2)c(O)c1O 1772638146 LOXIVFICWQMGAH-AWEZNQCLSA-N 356.418 4.039 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3c(C)ccnc3[nH]1)[C@H]1CC=C[C@H]21 587277144 PRJABUOGTFSKBW-DEYYWGMASA-N 361.405 4.309 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(F)c2O)N1 587723659 YIKAKXGJLDWZCX-VXJOIVPMSA-N 354.194 4.057 10 1 FICF CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OC4CCC4)cc3)C2)cc1 149927483 DLTDHRAHAXKOCB-INIZCTEOSA-N 364.489 4.419 10 1 FICF COc1c([C@@]2(C)NCCc3c2sc(C)c3C)c(O)c(OC)c2occc12 963029369 RPGNKQHAMVELMR-HXUWFJFHSA-N 373.474 4.243 10 1 FICF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1cnn(C)c1)c1ccccc1O 963230409 PJCXJMKNEXJAPD-SBUREZEXSA-N 361.489 4.074 10 1 FICF CCN(CCc1ccccc1)c1ccc(/C=C/c2cc[n+](CCO)cc2)cc1 38635695 FFEBHYCSEGYASK-UHFFFAOYSA-N 373.520 4.206 10 1 FICF COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2ccccc2Cl)cc1OC 169723212 URIACRSZDPPZQN-XUTLUUPISA-N 358.785 4.456 10 1 FICF COc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2n1 587078450 RMBWALGASPQYLX-JKDFXYPNSA-N 352.825 4.446 10 1 FICF CCCc1c(OCCCCCc2cccc(O)c2O)ccc(C(=O)O)c1O 1538785 LFNZMNFJCNDFPK-UHFFFAOYSA-N 374.433 4.246 10 1 FICF O=C1NC(=S)S/C1=C\c1ccc(SC2CCCC2)c([N+](=O)[O-])c1 96174925 ZDMIIBCAMHSXDF-JYRVWZFOSA-N 366.489 4.118 10 1 FICF Cn1c(SCC(=O)N=Nc2c(O)[nH]c3ccccc23)nc2ccccc21 253981732 PDXGXKZFAVGNNQ-UHFFFAOYSA-N 365.418 4.163 10 1 FICF Oc1csc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1 962948968 BVDKTANAUZQSBQ-MRXNPFEDSA-N 369.408 4.213 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cccc2F)N1 587722098 QRZUNKWWJYHIIH-XYZCENFISA-N 368.221 4.231 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)ccc2O)N1 587733722 RYJWXOSWKHPURH-PWJLMRLQSA-N 354.194 4.057 10 1 FICF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cnn(C)c1)c1ccccc1O 963230406 PJCXJMKNEXJAPD-HXOBKFHXSA-N 361.489 4.074 10 1 FICF CCOC(=O)c1c2c(n(Cc3ccccc3)c1C)C(=O)C(=O)c1ccccc1-2 6403648 FPJGLEYOEDMWDB-UHFFFAOYSA-N 373.408 4.068 10 3 FICF CN(C)c1ccc(-c2nc3ncc(-c4ccc5c(c4)OCO5)cc3[nH]2)cc1 28824598 RTFYHGSUKRTOCC-UHFFFAOYSA-N 358.401 4.087 10 1 FICF O=C(O)c1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 653804901 JMHUSAZRQVDCAK-FQEVSTJZSA-N 371.396 4.235 10 1 FICF O=C1c2ccccc2-c2cc(-c3cccc(O)c3O)nc3ccc(O)c1c23 586991305 MNQKMUYNHNTVSM-UHFFFAOYSA-N 355.349 4.230 10 1 FICF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(C)c1cc(C)c2c(c1O)CCC2 963636480 RFMRFQSXWRBLFE-LFVRLGFBSA-N 367.489 4.004 10 1 FICF COc1ccn2c(Nc3cc(F)cc(F)c3)c(-c3ccccn3)nc2c1 2382241207 JHIKJNLLFMMIJA-UHFFFAOYSA-N 352.344 4.427 10 1 FICF O=C(/C=C/c1ccc(O)c(O)c1)OCC(c1ccccc1)c1ccccc1 96939386 GINSOIBBVRVZOP-WYMLVPIESA-N 360.409 4.486 10 1 FICF CC(C)CN1CCN(CCNc2c3ccccc3nc3ccccc23)CC1 45192313 MSOZAKPHAYVLJC-UHFFFAOYSA-N 362.521 4.074 10 1 FICF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)c1 587819485 ANEDJXAZJYBCPJ-ADLMAVQZSA-N 364.258 4.400 10 1 FICF Cc1sc2nc(SCC(=O)c3ccc(O)c(O)c3)nc(C)c2c1C 1857615273 YYQLIDOCLBDSSV-UHFFFAOYSA-N 360.460 4.003 10 1 FICF Cc1cc(F)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1O 587730707 XSDCOGDDGMOAHJ-JDNHERCYSA-N 368.221 4.365 10 1 FICF COc1cc(/C=C/c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc(O)c1O 587784703 CHNRZFBQWQLPQD-NSCUHMNNSA-N 352.724 4.085 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2O)N1 587732528 NTDOZYIBCYBBQK-XLFHBGCDSA-N 368.221 4.231 10 1 FICF O=C1N=C(NCCc2cccs2)S/C1=C\c1ccc2ncccc2c1 28821269 CCDRMKVPDCRBEF-ATVHPVEESA-N 365.483 4.099 10 1 FICF COc1ccccc1-c1ccc(C[C@H]2NCCc3cc(O)cc(O)c32)cc1 103219256 NDZMLPRIFSBDMD-HXUWFJFHSA-N 361.441 4.203 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccc(O)c32)N1 587835404 VYIUHAVEYDLXDQ-XTZNXHDOSA-N 362.242 4.018 10 1 FICF O=C1c2ccccc2C(=O)C1c1ccc(C2C(=O)c3ccccc3C2=O)cc1 104508119 TYJBLURQFNAHLE-UHFFFAOYSA-N 366.372 4.012 10 1 FICF O=C(NCc1c(O)c(Cl)cc(Cl)c1Cl)C(Cl)(Cl)Cl 27859332 HKTKTJUOGKRKSZ-UHFFFAOYSA-N 371.862 4.339 10 1 FICF CCCN1CCc2c([nH]c3ccc(CC)cc23)[C@@H]1c1ccc(O)c(O)c1 71294825 NWFSXZUZRXELBU-QFIPXVFZSA-N 350.462 4.499 10 1 FICF O=C1c2ccccc2C(=O)c2c1ccc1nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c21 587092342 DRDMTJADCKCASF-RYUDHWBXSA-N 356.303 4.004 10 1 FICF O=C(c1ccccc1)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1O 45370731 RXJPNIIDZGBSLK-IBGZPJMESA-N 358.397 4.089 10 1 FICF O=C1Nc2ccccc2/C1=C1\C(=O)N(CCc2ccccc2)c2ccccc21 45385254 NMBJRKKDFTVHND-QURGRASLSA-N 366.420 4.139 10 1 FICF CN(O)C1=NC(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 13734170 RZASQSVWWQRSFT-UVTDQMKNSA-N 362.495 4.279 10 1 FICF CNC1=NC(=O)/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)S1 73139193 MTWBBYTWMXCZPJ-UNOMPAQXSA-N 361.470 4.188 10 1 FICF CCOC(=O)c1c(N=NN2CCOCC2)sc(-c2ccccc2)c1C 261162379 RCOGMGFFZKIOTH-UHFFFAOYSA-N 359.451 4.231 10 1 FICF O=C(N=NC(=O)c1ccncc1)Nc1ccc(NNc2ccccc2)cc1 263591614 YVMSXNJDIGMJSN-UHFFFAOYSA-N 360.377 4.345 10 3 FICF CCc1ccc(O)c([C@]2(C)c3cc(OC)c(OC)cc3C[C@@H](C)N2C)c1 962561676 DQYBMSJYQTYYFK-PEBXRYMYSA-N 355.478 4.112 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3ccc(O)cc3[nH]1)[C@H]1CC=C[C@H]21 587275621 FAZVLGCLJHWHFZ-NJSLBKSFSA-N 362.389 4.312 10 1 FICF CC(C)(C)CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O 13735413 UQHPIGQZXWZJOH-UHFFFAOYSA-N 359.422 4.009 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(F)c2O)N1 587723657 YIKAKXGJLDWZCX-AYVTZFPOSA-N 354.194 4.057 10 1 FICF CC1(C)CC(=O)[C@@H]2C(=Nc3ccccc3N[C@H]2c2cccc(O)c2O)C1 136915119 RLDJDBCCYQMCLV-OALUTQOASA-N 350.418 4.342 10 1 FICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3ccc(O)cc3Cl)[nH]c21 587053745 HUYLTCRYDIXSIM-UHFFFAOYSA-N 374.783 4.364 10 1 FICF COc1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]23)cc1[N+](=O)[O-] 13389187 VGJSJDNAZISIOH-PJIJBLCYSA-N 366.373 4.128 10 1 FICF O=C1c2ccccc2C(=O)c2c1ccc1nc(COc3ccc(F)cc3)[nH]c21 587169010 PZFZKOWMKSNKPH-UHFFFAOYSA-N 372.355 4.056 10 1 FICF CNc1c2ccc(I)cc2nc2ccc(OC)cc12 95583120 AHOUVZDSUCJSFA-UHFFFAOYSA-N 364.186 4.043 10 1 FICF Cc1cc2c(c3oc([C@@H](C)O)cc13)C(=O)c1c(OC(C)C)cccc1C2=O 473082073 GBXZGTONXHEWIQ-GFCCVEGCSA-N 364.397 4.357 10 1 FICF COc1ccc([C@@H](NC(N)=O)c2c(O)ccc3oc4ccccc4c23)cc1 72175563 MQSBBTUHSRURFA-HXUWFJFHSA-N 362.385 4.058 10 1 FICF CN1CCc2ccc(Cc3ccc(O)cc3)c3c2[C@H]1Cc1ccc(O)c(O)c1-3 96272452 IAGDALNWLBGHNU-LJQANCHMSA-N 373.452 4.146 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccc(O)c32)N1 587835402 VYIUHAVEYDLXDQ-MGNBDDOMSA-N 362.242 4.018 10 1 FICF O=C(O)CCc1ccc(-c2ccc(-n3ccnc3)cc2)n1-c1ccc(O)cc1 84602094 JDEALVMKJADNSW-UHFFFAOYSA-N 373.412 4.053 10 1 FICF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(F)cnc3[nH]1)[C@H]1CC=C[C@H]21 587275719 GANYGFCWZMEMKD-DCGLDWPTSA-N 365.368 4.140 10 1 FICF CCNC(=O)Nc1cn(Cc2ccccc2)c2cc(-c3cccnc3)cnc12 653768400 CGTYGFQYJLKEGQ-UHFFFAOYSA-N 371.444 4.288 10 1 FICF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1cccc(C(=O)OC)c1O 963240674 LBGAOVICTIVIAA-IVZQSRNASA-N 353.462 4.099 10 1 FICF Cc1c(O)c2c(c3c1OC(C)(C)C=C3)O[C@H](c1ccc(O)c(O)c1)CC2=O 207534534 UBORANBAZCARPM-INIZCTEOSA-N 368.385 4.003 10 1 FICF Oc1nc(S)nc(O)c1/N=N/c1ccc(-c2nc3ccccc3[nH]2)cc1 1772581456 GJEOQTUDPUXSHS-GHVJWSGMSA-N 364.390 4.135 10 1 FICF CC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2ccc(Cl)nc2c1O 36380899 JVJAWGCRXJZXIW-CQSZACIVSA-N 351.189 4.066 10 3 FICF COc1ccccc1-c1cc2c(n1-c1ccc(O)c(C(=O)O)c1)CCCC2 39194364 CTAZOTBVBIWDAP-UHFFFAOYSA-N 363.413 4.436 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(F)c2O)N1 587716988 FDJCLHQCYAACMG-NZFNHWASSA-N 372.184 4.196 10 1 FICF O=C1NC(=S)S/C1=C\c1csc(-c2ccccc2C(F)(F)F)n1 1772590796 VCXQAENBEITVAU-YHYXMXQVSA-N 372.418 4.318 10 1 FICF O=C1c2cc3ccccc3cc2C(=O)c2c1oc1c2c(=O)oc2ccccc21 1857634227 SLLWRBNWRCQNHX-UHFFFAOYSA-N 366.328 4.468 10 1 FICF COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C/N=N/c1ccccc1 169688976 MQKSAYCVAJCFMJ-LSDHQDQOSA-N 353.378 4.256 10 1 FICF COc1ccccc1CC(=O)c1nc2cc(Oc3ccc(N)cc3)ccc2[nH]1 587929805 LUFLDSDUAAQRRW-UHFFFAOYSA-N 373.412 4.371 10 1 FICF CC[C@@]1(c2ccccc2O)N[C@H](C)Cc2cc(Br)c(F)cc21 587835788 YEUFCQLFQDVVLU-ZMZPIMSZSA-N 364.258 4.482 10 1 FICF CCc1ccccc1[C@@H]1CC(c2ccc(O)cc2)=NN1C(=O)c1cccnc1 1772642032 OHRQEIKSIPFGHN-QFIPXVFZSA-N 371.440 4.341 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(O)cccc2F)N1 587722096 QRZUNKWWJYHIIH-XLFHBGCDSA-N 368.221 4.231 10 1 FICF CC(=O)Nc1ccc([C@]2(C)NCCc3cccc(-c4ccccc4)c32)c(O)c1 962665925 ROOOBVNNAUWCOU-DEOSSOPVSA-N 372.468 4.427 10 1 FICF COc1c([C@]2(C)NCCc3c2sc(C)c3C)c(O)c(OC)c2occc12 963029368 RPGNKQHAMVELMR-FQEVSTJZSA-N 373.474 4.243 10 1 FICF CC(=O)O[C@@H](CCC=Cc1ccc(O)cc1)CCc1ccc(O)c(O)c1 2356601285 QSIWSPJKOPVWIU-IBGZPJMESA-N 356.418 4.161 10 1 FICF O=C(CSc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(O)c(O)c1 13782379 ROGWEJHGBVIIGH-UHFFFAOYSA-N 369.229 4.256 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(F)cc2O)N1 587720043 QXYJPMJTWDEHNE-GYKQLYQFSA-N 372.184 4.196 10 1 FICF COc1ccc(Cl)c2c1CCN[C@H]2c1cc(Br)ccc1O 963257566 KTRWHNDVFNJUHJ-INIZCTEOSA-N 368.658 4.052 10 1 FICF CN(C)Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587501276 BSYWQPAOVZRHJZ-NRFANRHFSA-N 351.446 4.039 10 1 FICF Cc1nn(-c2ccccc2)c(O)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515709 OWCLLJLOCLITMK-FQEVSTJZSA-N 374.440 4.472 10 1 FICF COc1ccc2c(c1OC)[C@@H](c1c(C)cc(N(C)C)cc1C)N(C)[C@H](C)C2 962576361 TWKXNWAEKBNDQX-OPAMFIHVSA-N 368.521 4.352 10 1 FICF CCOC(=O)Cc1oc2c(c1-c1ccc(C)cc1)C(=O)c1ccccc1C2=O 1857749443 BCFDNNQKLSZHLE-UHFFFAOYSA-N 374.392 4.136 10 1 FICF Cc1ccc(/C=C2/SC(=S)N(CC(=O)c3ccccc3)C2=O)cc1 1857610768 RGPHCBIVCHMUJC-GZTJUZNOSA-N 353.468 4.079 10 1 FICF O=C(c1ccccc1NCc1ccc2c(c1)OCO2)c1n[nH]c2ccccc12 40395160 XXBKAXJBXFYQML-UHFFFAOYSA-N 371.396 4.135 10 1 FICF CC[C@@H]1OCCC[C@@H]1c1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O 586914957 ZXRMTBWSAWBBRF-YOEHRIQHSA-N 360.413 4.011 10 1 FICF Cc1ccc(O)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587824233 YZXRWNBISNKAED-BMLIUANNSA-N 350.231 4.226 10 1 FICF COc1cc([C@@H]2c3cccc4cccc(c34)[C@@H]3CCC(=O)N32)cc(O)c1O 1654650 XDONCFAHMRIQHS-HRAATJIYSA-N 361.397 4.026 10 1 FICF COc1cccc(-c2ccc(O)c(CNC[C@H]3C[C@H]4C=C[C@@H]3C43CC3)c2)n1 12041757 ZAUWQSSTBZGPNN-QRQLOZEOSA-N 362.473 4.155 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3cccc(O)c32)N1 587835403 VYIUHAVEYDLXDQ-MLCYQJTMSA-N 362.242 4.018 10 1 FICF Cc1ccc(NC(=O)Cn2c(O)c(/N=N/C(=N)S)c3ccccc32)cc1 103108453 HCISABJHKXKDMN-QURGRASLSA-N 367.434 4.242 10 1 FICF CCCC[C@@H]1Cc2cc(OC)ccc2-c2n1c1ccc(OC)cc1[n+]2C 1662022 HSMJYCXHPBGBRK-MRXNPFEDSA-N 351.470 4.437 10 1 FICF O=C(c1ccccc1)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1O 45370736 RXJPNIIDZGBSLK-LJQANCHMSA-N 358.397 4.089 10 1 FICF CN1C[C@H](C(=O)OC2CCCCC2)C[C@@H]2c3cccc4c3c(cn4C)C[C@H]21 40496810 RNJMQIMWRPXIRE-OZOXKJRCSA-N 366.505 4.014 10 1 FICF COc1ccc(OCC(=O)N=Nc2c(O)[nH]c3ccc(Cl)cc23)cc1 617960053 IAIBJVCQSRKQAW-UHFFFAOYSA-N 359.769 4.225 10 1 FICF CN1C[C@H](C(=O)OC2CCCCC2)C[C@H]2c3cccc4c3c(cn4C)C[C@H]21 40496808 RNJMQIMWRPXIRE-LKUPVBHCSA-N 366.505 4.014 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(F)c2O)N1 587721998 XLYJQWQRAMROQT-KWKYVRJSSA-N 372.184 4.196 10 1 FICF CC(=O)OC[C@]1(C)CCC[C@]2(C)c3c(cc(C(C)C)c(O)c3O)C(=O)C[C@H]21 1772491013 MWKQZQOBWYIJHX-HSQYWUDLSA-N 374.477 4.435 10 1 FICF CC(=O)N1N=C(c2cc3ccccc3nc2C)C[C@H]1c1ccc(N(C)C)cc1 103273611 XDKVLTWYZHQKLY-QHCPKHFHSA-N 372.472 4.307 10 1 FICF N=C(N)c1ccc(/N=N/c2c(N)ncc3ccc(Br)cc23)cc1 1772652440 PRXMOIVSQYWNNZ-GHVJWSGMSA-N 369.226 4.279 10 1 FICF CC(=O)N[C@@H](c1cccc(Cl)c1)c1cc(Cl)c2cccnc2c1O 2921264 UCMRVHRULHFQGL-INIZCTEOSA-N 361.228 4.473 10 1 FICF COc1cccc(C2=N[C@H](c3cccnc3)N[C@H](c3ccccc3O)C2)c1 84689028 XMXMJLSJLRCKJH-UNMCSNQZSA-N 359.429 4.018 10 1 FICF NC(=O)c1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078107 HUWKBXJQWBXULZ-IUUKEHGRSA-N 364.836 4.142 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3cccc(O)c32)N1 587835405 VYIUHAVEYDLXDQ-YPMLDQLKSA-N 362.242 4.018 10 1 FICF O=C(O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCCCC3)c12 1772631761 MVGQCDFPHRNYQH-UHFFFAOYSA-N 351.402 4.490 10 1 FICF Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@H]43)[nH]c2n1 587275225 AHJQCHLHOFAHLJ-HBUWYVDXSA-N 361.405 4.309 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(F)c2O)N1 587719697 LOIYRFIMKVQRSB-XLFHBGCDSA-N 368.221 4.231 10 1 FICF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cc(C(=O)OC)ccc1O 963242378 PMLNYOUDQYAYEU-QRQCRPRQSA-N 353.462 4.099 10 1 FICF C/C(=C1/SC(=S)N(CC(=O)O)C1=O)c1ccc(-c2ccccc2)cc1 28012699 ODHNFKPWOWACHA-ATVHPVEESA-N 369.467 4.030 10 1 FICF O=[N+]([O-])c1cc(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)cc(O)c1O 49068229 GRDDRAYTHHZYKA-UHFFFAOYSA-N 368.132 4.030 10 1 FICF CCCOc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2N(C)[C@@H]31 95554196 RUGPNNUITLXLAI-OAQYLSRUSA-N 361.445 4.104 10 1 FICF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(O)cccc2F)N1 587723681 YPUOLMAPPQDESM-PWJLMRLQSA-N 354.194 4.057 10 1 FICF COc1ccccc1-c1ccc(C[C@@H]2NCCc3cc(O)cc(O)c32)cc1 103219258 NDZMLPRIFSBDMD-FQEVSTJZSA-N 361.441 4.203 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(F)c2O)N1 587722167 RMSLKFCPAJQWMT-MLXNANBUSA-N 372.184 4.196 10 1 FICF COc1cc(/C=C\c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(O)c1O 587785577 NXIZSYSGPUHWQO-IHWYPQMZSA-N 368.286 4.311 10 1 FICF COc1cc(/C=C\c2nc3ccc(C(F)(F)F)cc3[nH]2)cc(O)c1O 587786699 VOHACTVVYWVJQF-DJWKRKHSSA-N 350.296 4.172 10 1 FICF Cc1ccc(O)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587822594 PQFSIASTMWEACS-ZMZPIMSZSA-N 364.258 4.400 10 1 FICF COc1ccc([C@H]2COc3cc4c(cc3C2)C=CC(C)(C)O4)c(O)c1O 14713104 STXURYHMSXFGTA-CQSZACIVSA-N 354.402 4.009 10 1 FICF biogenic COc1cccc(/N=N/c2c(N)nn3c(O)cc(-c4ccccc4)nc23)c1 101488521 QWZDAYOWZVUNRA-GHVJWSGMSA-N 360.377 4.108 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3cccc(O)c32)N1 587834345 RQJNXLBKPBVULZ-MGNBDDOMSA-N 362.242 4.018 10 1 FICF COc1cc(-c2[nH]cnc2-c2ccc3ccn(C)c3c2)cc(OC)c1OC 29411941 XTHOGZDRFNNIMU-UHFFFAOYSA-N 363.417 4.261 10 1 FICF Cc1ccc(Nc2nc(-c3cc(O)c(O)c(O)c3)nc3ccccc23)cc1 58590795 PMWPBOVBOHTGOA-UHFFFAOYSA-N 359.385 4.466 10 1 FICF CC1=NC(=S)N[C@H](c2ccc(N(C)C)cc2)/C1=C(/O)O[C@@H]1CCC[C@H]1C 617964404 YLSGWCSZBKUAMW-TZLYVGEYSA-N 373.522 4.118 10 1 FICF O=C(N[C@@H]1CCN(Cc2ccccc2O)C1)c1ccc(-c2ccccc2)cc1 45201563 VBFUDJPILYNEPZ-JOCHJYFZSA-N 372.468 4.064 10 1 FICF COc1ccc2nc3ccccc3c(NC(=S)NCc3ccco3)c2c1 45287013 ZTCJNZHZQFGGLI-UHFFFAOYSA-N 363.442 4.476 10 1 FICF COc1nccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12 587078127 IGJSXPILAIPGEF-OZVIIMIRSA-N 352.825 4.446 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2O)N1 587832568 JXXWAWBNOMHMOD-BMLIUANNSA-N 350.231 4.092 10 1 FICF Oc1cc2c(c(Cl)c1O)CCNC[C@H]2c1cccc(C(F)(F)F)c1 27184509 LOCMVLDIVDMMTM-ZDUSSCGKSA-N 357.759 4.048 10 1 FICF CCOc1ccc(O)c([C@]2(C(F)(F)F)NCCc3cc(C)c(F)cc32)c1 962095883 XEUIPLKHDMCIBX-GOSISDBHSA-N 369.358 4.190 10 1 FICF COc1ccc(N2CCN(c3c(C)c(C)c4c(c3C)C[C@H](C)O4)CC2)cc1 114337598 YVBZPAWLIVCPHA-HNNXBMFYSA-N 366.505 4.270 10 1 FICF Nc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1N 587078553 VONZNDLLDJJESU-PISHQANHSA-N 351.841 4.207 10 1 FICF COC(=O)[C@]12CCCC(C)(C)[C@H]1CC(=O)c1cc(C(C)C)c(O)c(O)c12 2356704982 PMVQDYBTFTZMHF-QVKFZJNVSA-N 360.450 4.045 10 1 FICF Cc1ccc2nc([C@@H]3Nc4c(C)cc([N+](=O)[O-])cc4[C@H]4C=CC[C@H]43)[nH]c2n1 587275226 AHJQCHLHOFAHLJ-PMUMKWKESA-N 361.405 4.309 10 1 FICF CCCN1C[C@H](c2ccc(O)cc2)C[C@@H]2c3cc(O)c(O)cc3CC[C@H]21 95565821 SPBJYMYEKPAPLH-NSISKUIASA-N 353.462 4.101 10 1 FICF COc1ccc([C@H]2COc3c(ccc(O)c3O)C2)c(O)c1CC=C(C)C 96902672 ZWQNCMBAVFGLQK-CQSZACIVSA-N 356.418 4.039 10 1 FICF biogenic CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OCC4CC4)cc3)C2)cc1 149973885 ZMLFGXJQOHWIEM-INIZCTEOSA-N 364.489 4.276 10 1 FICF CCOC(=O)CC(C)(C)[C-](C)/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 169693871 NDFIUBXYBURECP-WUKNDPDISA-N 351.339 4.118 10 1 FICF O=C1c2ccccc2C(=O)c2c1ccc1nc(-c3occ4c3CCC4)[nH]c21 586905574 ULRQUBUNJVRKCR-UHFFFAOYSA-N 354.365 4.087 10 1 FICF CCc1ccc(O)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587822452 OFFSSMPQZOYGCZ-YPMLDQLKSA-N 364.258 4.480 10 1 FICF CCN1[C@@H](C(=O)OC)C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]21 84652919 KJJXNOIHEPPYLY-BYLLTDDTSA-N 365.433 4.419 10 1 FICF CCc1ccc(O)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587822449 OFFSSMPQZOYGCZ-MLCYQJTMSA-N 364.258 4.480 10 1 FICF CC(C)c1cc2c(c(O)c1O)[C@@]1(c3n[nH]c(=N)o3)CCCC(C)(C)[C@@H]1CC2 1857548299 OBTWNXPOBRZQLS-LHSJRXKWSA-N 371.481 4.075 10 1 FICF COc1cccc2cc3c(nc12)[C@@H](c1ccc2ccccc2c1O)NCC3 963063096 ZHFOWMFKVGHQHD-JOCHJYFZSA-N 356.425 4.337 10 1 FICF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(O)ccc(F)c2F)N1 587712825 AJYSWORMLNQULX-QZTNRIJFSA-N 372.184 4.196 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(O)cccc2F)N1 587722094 QRZUNKWWJYHIIH-HUTHGQBESA-N 368.221 4.231 10 1 FICF CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)C(=O)C4=O 84671973 CLXZCEGEMIBJJR-CYKJOMKPSA-N 360.494 4.101 10 1 FICF Oc1cc2c(c(Cl)c1O)CCNC[C@@H]2c1cc(Cl)c(O)c(Cl)c1 27107181 LBUCGEYLJXJMTP-SNVBAGLBSA-N 374.651 4.041 10 1 FICF CC1=C/C(=C2\C(=O)N(c3ccccc3)N=C2C)OC(=O)N1Cc1ccccc1 29060990 IGPIZPGHWSAMGZ-FMQUCBEESA-N 373.412 4.219 10 1 FICF Cc1cc(-n2nc(N)c(/N=N/c3ccc(F)cc3)c2N)nc2ccccc12 98084151 ITNHZFNFKGOPSX-OCOZRVBESA-N 361.384 4.448 10 1 FICF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(F)c2O)N1 587715291 BXFMMRLKUNHQLV-KWKYVRJSSA-N 372.184 4.196 10 1 FICF O=C(c1ccccc1NCc1ccc2[nH]ncc2c1)c1n[nH]c2ccccc12 40395418 PFOPUBRYMLGYFO-UHFFFAOYSA-N 367.412 4.282 10 1 FICF COc1cc(-c2c3c(cc4c2[nH]c2ccccc24)COC3=O)cc(O)c1O 64750310 NCQBOTTUNDDRNQ-UHFFFAOYSA-N 361.353 4.078 10 1 FICF CC[C@]1(c2ccccc2O)N[C@H](C)Cc2ccc(F)c(Br)c21 587831401 HGBDMAFZBQQPBM-ADLMAVQZSA-N 364.258 4.482 10 1 FICF CN1CCc2c(cc(O)c(O)c2Cl)[C@H](c2cccc(C(F)(F)F)c2)C1 27109359 FHMYZHSQBKVASB-AWEZNQCLSA-N 371.786 4.390 10 1 FICF C/C=C/C=C(/C)c1cc(=O)c2ccc3c(c2o1)C(=O)c1c(O)cccc1C3=O 238785302 MXHACBJMHHPURG-JIJKKIFDSA-N 372.376 4.253 10 1 FICF COc1ccc([C@@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2)cc1OC 299860333 JCVCXXBWBZCFGV-ZDUSSCGKSA-N 360.841 4.118 10 1 FICF O=c1oc2ccccc2c2oc3cc(O)c(O)c(CN4CCCCC4)c3c12 1857558536 CMLUAXDHZXLBOD-UHFFFAOYSA-N 365.385 4.090 10 1 FICF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(F)c2O)N1 587716177 DJRWMZTUMHAPPH-XYZCENFISA-N 368.221 4.231 10 1 FICF CCCCCOc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1 1857637339 DSYCXFTZINCPAB-UHFFFAOYSA-N 356.374 4.146 10 1 FICF COc1cccc2c1[C@H](C=Cc1ccccc1)[C@H]([C@@H](O)CN=[N+]=[N-])OC2 1857622473 WQGWJXORQCSWKT-ABSDTBQOSA-N 351.406 4.062 10 1 FICF COc1ccc([C@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NN2)cc1OC 299860331 JCVCXXBWBZCFGV-CYBMUJFWSA-N 360.841 4.118 10 1 FICF Cc1ccc(O)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587822591 PQFSIASTMWEACS-ADLMAVQZSA-N 364.258 4.400 10 1 FICF CCOc1cc(N(CC)CC)ccc1[C@@H]1NCCc2c1c(C(C)C)nn2C 962914123 CKWMYIDQTSXXLH-QFIPXVFZSA-N 370.541 4.024 10 1 FICF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)c1 587823059 SEZYLFVKJKFKHR-ADLMAVQZSA-N 364.258 4.400 10 1 FICF COc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)c(O)c1)CC2=O 14762703 QTHZKQQTHZVUHQ-SFHVURJKSA-N 370.401 4.027 10 1 FICF biogenic Nc1ccc(OCCCN[C@H]2CCC[C@H]2CCCCCCC(=O)O)cc1 28007717 DJWGVYPFOAFSJA-XLIONFOSSA-N 362.514 4.221 10 1 FICF C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C(=[N+]=[N-])C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 78010034 MLPGZRVFTNWGPH-NIGNBFPUSA-N 358.526 4.124 10 1 FICF CCCN1CCc2c(c(O)c(OC)c3c2ccc2cc(O)c(OC)cc23)C1 40872893 IFMOVFFRZLWNFZ-UHFFFAOYSA-N 367.445 4.190 10 1 FICF in-vivo CCn1c(/C=C2/C(=O)Nc3ccc(Br)cc32)nc2ccccc21 1772581451 FMQOTPPYCHWJMW-JLHYYAGUSA-N 368.234 4.311 10 1 FICF CC(C)(SCc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C(=O)O 586958774 GFCFTPKDSTXNPN-UHFFFAOYSA-N 357.435 4.034 10 1 FICF O=C1C(=O)[C@@H](c2ccc(N3CCCC3)c(O)c2)Oc2c1ccc1ccccc21 957747928 CZDODQBJPYJRHG-JOCHJYFZSA-N 373.408 4.031 10 1 FICF